#DEFINITION	Reference Metabolome for Aconitum carmichaelii
#IDENTTFIER	RefMeta-Aconitum carmichaelii.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Aconitum carmichaelii
#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 Aconitum carmichaelii 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	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	2.8
73.02886	2.5
75.47589	0.9
77.03904	1.8
79.05034	2.0
79.05485	37.6
81.03410	6.1
81.07048	52.4
83.04974	6.8
83.08610	9.9
85.02557	0.9
85.02914	8.0
85.06532	2.2
91.03961	4.8
91.05468	28.5
93.07031	40.0
95.04962	11.5
95.08595	27.4
97.02887	5.7
97.06517	4.7
97.10161	10.8
98.22621	2.4
99.00819	1.3
99.04419	1.5
99.08080	2.4
103.05420	1.4
105.04514	1.8
105.07020	19.9
107.04921	5.8
107.08582	24.7
109.02875	3.6
109.06487	8.7
109.10139	14.2
111.04418	3.7
111.08090	1.7
115.05409	1.3
117.07002	10.5
119.08570	15.7
121.06496	4.7
121.10133	16.8
123.04396	1.8
123.08047	4.2
123.11655	4.9
125.05945	1.8
125.09628	8.8
127.03920	3.0
128.06216	1.4
129.07011	2.8
131.08562	9.4
133.06451	2.1
133.10121	15.9
135.08044	11.2
135.11687	8.7
137.05922	1.2
137.09599	4.3
137.13210	2.3
139.11215	1.1
143.08551	3.3
145.06503	2.4
145.10085	8.7
147.08040	4.0
147.11708	6.4
147.12679	1.1
149.09596	2.8
149.13243	5.0
151.11115	2.7
153.09042	1.7
153.12759	2.9
155.08472	1.8
157.10123	2.6
159.08041	4.2
159.11705	5.6
161.09579	5.2
161.13243	4.5
163.05991	2.4
163.07507	4.9
163.11153	5.0
163.14807	2.2
165.09074	1.1
169.10143	1.6
171.10191	1.3
171.11647	2.4
173.09523	1.8
173.13271	3.9
175.11234	1.4
175.14816	1.5
178.48318	1.1
179.10670	3.0
183.11760	1.8
185.13217	1.5
187.11150	2.2
187.14798	1.2
189.09239	1.8
189.11209	6.6
189.12712	1.5
191.10597	2.2
193.12233	13.1
199.14806	1.3
205.15633	1.1
211.13223	1.7
215.17995	1.2
227.12726	8.3
243.17343	3.1
243.21077	3.0
245.13780	1.5
261.18512	3.3
261.22122	11.0
271.16989	5.4
273.18451	1.6
273.22311	1.1
275.20081	1.6
277.21713	1.7
283.15378	4.6
289.17969	20.7
291.19565	2.0
303.35574	1.0
307.18961	4.9
317.24551	2.8
335.25760	83.6
336.25952	1.7
363.21609	7.1
365.23633	1.1
381.22675	100.0
382.22913	1.7
397.30823	3.8
437.50607	1.1
515.37286	2.0
531.37494	1.7
543.36792	7.6
549.39246	1.9
567.39935	1.4
623.33588	1.7
623.42969	21.4
641.44012	77.6
642.44519	2.6
659.44525	2.3
871.15186	1.1
1001.51636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04971	3.7
73.02908	3.9
79.05479	54.5
81.03397	7.2
81.07043	60.9
83.04981	8.3
83.08602	14.4
85.02883	10.4
85.06493	1.6
91.03937	7.7
91.05019	0.8
91.05463	35.3
93.07030	53.3
95.04949	13.6
95.08591	39.5
97.02888	9.2
97.06541	7.8
97.10156	9.9
98.23417	3.4
99.00771	1.6
99.04465	2.3
99.08092	1.2
103.05457	1.7
105.04506	3.4
105.07013	27.4
107.04940	8.0
107.08572	32.3
109.02874	5.1
109.06497	8.7
109.10134	19.6
110.34266	1.2
111.04426	2.0
111.08085	6.0
115.05451	1.7
116.06256	1.3
117.06982	12.4
119.04923	1.9
119.08548	20.7
121.02833	2.5
121.06485	7.0
121.10123	16.6
123.04416	2.7
123.08058	3.5
123.11684	4.4
123.58401	1.1
125.09620	9.8
126.53336	1.4
127.03898	3.8
128.06256	2.3
129.07004	5.6
131.08560	13.7
133.06487	3.7
133.10107	18.1
135.08031	12.1
135.11638	12.9
137.09581	3.6
139.07507	1.5
143.08560	3.4
145.04987	2.0
145.06468	4.8
145.10117	11.8
147.08044	2.3
147.11627	8.0
149.09587	4.3
149.13274	4.1
151.11162	2.9
153.09039	3.4
153.12738	3.1
155.08539	2.5
157.10104	3.9
159.08046	6.1
159.11642	6.1
161.09584	7.9
161.13246	5.1
163.06168	2.8
163.07533	6.7
163.11139	3.9
163.14822	3.4
165.12471	1.4
169.10107	3.0
171.08031	1.7
171.10072	1.6
171.11650	2.7
173.09598	3.4
173.13232	5.2
175.14795	1.8
179.10596	1.9
181.12231	1.4
185.13081	2.0
187.14793	2.2
189.09146	1.6
189.11189	6.0
191.10612	2.4
193.12227	11.7
205.90680	1.2
219.14052	1.4
225.11172	1.4
227.12740	7.5
228.83456	1.3
233.15387	1.8
243.17410	3.0
243.21016	4.8
259.20517	1.8
261.18698	3.0
261.22141	11.4
267.15866	1.9
271.17032	6.8
279.19522	1.5
283.15332	4.6
289.17911	21.7
291.19507	1.9
307.19000	4.8
317.24588	2.7
333.24350	2.3
335.25742	100.0
336.26086	2.1
363.21390	8.4
381.22665	65.9
382.23178	1.4
397.30838	3.8
531.38129	1.5
543.36401	6.3
549.39233	3.0
567.40222	2.2
605.41949	1.8
623.42853	17.1
641.43988	96.8
642.43811	2.3
659.45038	3.3
1000.50970	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	1002.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77098	1.9
69.77435	0.6
71.04978	2.8
73.02912	0.8
75.00535	0.6
76.26482	0.7
77.03913	1.0
79.05482	51.5
81.03413	6.4
81.07047	80.4
83.04974	10.4
83.08607	14.7
85.02895	7.7
85.06517	2.3
91.03943	2.7
91.05469	35.1
91.78858	0.7
93.07033	47.4
95.04335	1.1
95.04954	21.5
95.08593	34.9
97.02899	3.7
97.06521	8.1
97.09580	1.3
97.10158	16.4
99.04429	1.9
99.08049	3.1
103.05468	1.1
105.03386	0.7
105.04503	3.5
105.07016	25.7
107.04946	7.4
107.08577	29.8
109.06504	9.1
109.10146	16.9
111.04427	9.0
111.08068	5.3
115.05446	1.8
116.06156	0.7
117.07016	11.5
119.04899	1.1
119.08564	23.0
121.06487	5.1
121.10123	20.1
123.04384	0.9
123.08051	17.5
123.11696	4.1
125.05914	0.8
125.09613	14.3
127.03891	0.8
128.06200	1.5
129.05502	0.7
129.06985	5.4
130.07762	1.3
131.08546	16.2
133.06442	3.3
133.10112	14.3
135.08031	7.1
135.10706	0.5
135.11681	13.6
135.12668	0.5
137.09607	4.5
137.13254	1.1
139.11194	1.5
141.06978	1.1
142.07771	1.1
143.08553	6.6
145.06483	1.7
145.10107	16.3
147.08029	7.7
147.11685	8.4
149.09610	6.2
149.13194	4.6
153.09093	2.2
153.12704	4.2
155.08525	3.0
157.10094	6.6
159.08044	2.1
159.11665	8.3
161.09612	6.7
161.13228	4.7
163.11151	12.5
163.14799	1.3
165.09042	3.3
165.12698	1.0
169.10104	2.8
171.07959	0.9
171.10236	1.2
171.11656	4.2
173.09569	3.8
173.11986	0.6
173.13185	3.7
175.11134	3.1
175.14803	1.1
177.12729	2.2
179.14200	0.8
181.10124	1.0
181.12256	4.9
183.11734	0.9
185.13232	2.2
187.14804	1.4
189.11177	11.2
189.12718	1.0
191.10570	3.6
191.14192	0.7
193.12263	3.0
199.11174	1.0
203.14088	0.7
205.12422	0.6
209.11554	1.4
211.14931	0.8
213.16344	1.2
217.15913	0.9
223.13255	3.6
227.12738	11.4
227.17937	2.6
231.17392	0.8
237.16473	1.0
243.21077	1.9
245.19000	2.7
249.14853	1.1
255.17366	2.0
255.25124	0.8
257.18869	1.0
259.20535	2.5
261.22095	8.1
263.20178	0.9
273.15524	1.4
273.18475	24.3
275.20020	3.0
277.21396	0.9
283.15454	3.3
287.85800	0.6
291.19513	51.2
292.19800	1.2
293.21237	1.4
309.20496	7.6
317.24728	1.7
333.24026	1.5
335.25757	100.0
336.26031	2.9
347.22134	6.9
349.23923	1.9
351.25421	0.9
365.23175	33.9
367.24820	1.4
383.24225	18.9
428.92233	0.7
489.86340	0.7
502.94794	0.8
505.35175	1.8
515.37695	1.6
529.39502	0.7
533.39691	2.1
543.36487	1.4
551.40796	2.9
561.37201	2.0
569.41852	0.9
597.44635	0.9
607.43353	5.3
625.44537	62.4
626.45007	1.9
643.45581	62.3
644.45496	1.6
787.49139	0.7
870.36981	0.7
1002.52264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04964	3.9
73.02899	1.6
76.05998	0.8
77.03903	2.0
79.05482	71.1
81.03410	11.4
81.07043	100.0
83.04968	14.9
83.08606	20.3
85.02891	10.0
85.06526	3.0
91.03951	4.7
91.05463	46.0
93.07028	59.6
94.07352	1.0
95.04341	1.0
95.04953	25.8
95.08588	44.7
97.02883	5.8
97.06518	11.9
97.10152	31.0
98.23470	3.0
99.04458	2.8
99.08063	3.4
103.05448	1.0
105.04509	2.6
105.07014	36.0
105.07722	1.9
107.04941	13.2
107.08576	36.9
109.02848	1.3
109.06496	12.8
109.10137	21.9
111.04432	14.5
111.08047	8.5
113.09624	1.4
115.05412	1.5
116.06212	1.6
117.07005	20.0
119.04917	1.4
119.07729	2.0
119.08555	32.4
121.06501	8.5
121.10123	25.2
123.04389	2.1
123.08047	27.1
123.11695	5.6
125.05956	1.6
125.09600	24.4
127.03886	1.8
128.06169	2.5
129.06963	8.6
130.07693	1.4
131.08546	21.4
133.06441	4.3
133.10104	18.1
135.08022	9.4
135.11662	19.3
137.09593	6.3
139.11166	1.7
141.06975	1.5
142.07758	1.9
143.08546	8.9
145.04884	1.3
145.06441	2.7
145.10106	22.8
147.08034	11.9
147.11620	11.5
149.09586	9.4
149.13240	8.4
151.11162	1.8
153.09055	3.9
153.12740	6.3
155.08517	3.2
157.10127	7.7
159.08006	2.5
159.11678	12.0
161.09583	8.2
161.13257	4.5
163.06110	0.9
163.09769	1.2
163.11153	21.2
163.14734	2.2
165.09087	7.8
165.12675	1.8
169.10085	3.1
171.10144	2.7
171.11650	5.5
173.09630	4.2
173.11812	1.2
173.13187	4.1
175.11182	5.7
175.14844	1.4
175.53470	1.0
177.12698	2.6
179.10646	1.1
181.10059	1.5
181.12183	8.3
183.11717	2.4
185.09572	2.1
185.13206	4.2
187.11143	2.0
187.14771	2.7
189.11177	22.1
189.12665	2.0
191.10648	6.6
191.14265	1.1
193.12280	5.5
195.11693	1.1
195.13805	1.1
199.11206	1.4
199.14844	1.4
201.12607	1.3
201.16400	1.4
209.11670	1.9
213.12852	1.0
223.13205	6.2
227.12743	22.2
227.17917	3.0
231.17511	1.1
233.15230	1.1
243.21014	2.8
245.13687	1.1
245.18964	4.1
249.14816	2.6
255.17383	4.1
261.22162	10.0
263.20108	2.0
267.15891	1.2
273.18454	35.4
275.19992	4.1
279.85959	0.9
283.15436	5.4
291.19495	94.7
293.21094	1.3
309.20514	17.9
317.24582	2.2
333.24295	3.0
335.25742	98.6
336.26108	1.2
347.22031	7.6
349.23859	1.4
365.23178	52.1
383.24234	37.9
383.29132	2.0
398.67172	1.0
515.37939	2.1
529.38605	1.4
533.39410	1.9
543.37042	1.6
551.40686	3.5
561.37213	1.7
569.41302	1.8
606.62970	1.0
607.43604	8.5
625.44519	67.0
626.44916	1.7
643.45557	75.3
644.45734	2.0
1002.51929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04992	4.0
73.02905	2.9
77.03885	2.4
79.05478	59.1
81.03423	5.9
81.07044	81.1
83.04977	6.6
83.08595	12.7
85.02896	9.8
91.03959	5.8
91.05463	48.9
93.06443	3.5
93.07026	66.0
93.07592	3.7
95.04939	12.2
95.08585	58.6
97.02881	5.3
97.06525	9.8
97.10152	8.5
103.05400	2.6
105.04530	2.8
105.07009	32.4
107.04945	4.9
107.08572	38.1
109.06518	6.6
109.10130	41.4
111.08060	4.2
117.06983	18.0
119.08557	28.2
121.06532	3.7
121.10113	26.8
123.08032	4.8
123.11709	7.7
125.09604	3.8
127.03949	3.3
128.70148	2.5
129.07007	4.1
131.08528	24.2
133.10112	19.4
135.08043	5.4
135.11693	16.2
141.06921	2.5
143.08571	3.0
145.04874	2.8
145.10060	17.4
147.11658	14.4
149.09590	7.4
149.13229	11.0
151.74585	2.7
157.10109	5.9
159.11684	13.9
161.13226	7.4
163.06042	3.6
163.11139	3.9
163.14777	3.6
171.11662	5.3
173.11768	4.9
173.13242	9.8
177.12727	3.2
179.14346	2.1
185.13271	3.1
187.14735	2.4
189.11183	2.8
195.13747	4.9
199.14809	3.5
219.17409	3.1
227.12753	9.1
229.14282	37.9
229.19348	2.2
239.18036	3.1
243.21132	3.2
257.18979	6.6
259.20514	4.0
261.22018	12.4
269.17349	20.8
275.20016	30.7
293.21109	7.0
309.20615	8.9
315.13751	2.7
335.25714	100.0
349.23712	29.0
351.24966	2.3
367.24796	19.5
380.87912	2.6
489.35541	20.4
507.36505	7.0
511.37970	3.2
529.38788	52.7
569.42029	35.4
609.45038	58.8
627.45966	36.8
673.43127	4.3
697.34570	2.9
734.21588	3.0
1004.52661	10.0
1005.53845	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	1007.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01339	0.6
73.02907	1.6
74.59949	0.3
79.05476	1.7
81.03406	1.0
81.07049	2.1
83.05009	0.6
83.08602	0.4
85.02894	2.8
88.06716	0.3
91.03974	1.1
91.05492	1.2
93.07050	1.0
95.04977	0.6
95.08616	1.3
97.02871	2.6
97.41383	0.4
98.22607	0.7
99.04444	0.4
101.02397	1.0
105.07069	0.8
107.08611	1.1
109.02910	0.6
109.10139	0.9
115.35490	0.4
117.07019	0.5
119.08611	0.8
121.10178	1.0
127.03918	1.1
128.65976	0.3
131.08549	0.5
133.10136	0.3
135.11725	0.7
145.10138	0.4
146.42993	0.4
147.11691	0.4
157.86699	0.3
203.05267	0.9
210.33319	0.4
243.08412	1.7
256.24240	0.3
301.20532	0.4
347.09418	2.8
349.19986	1.1
363.09167	0.9
365.10803	0.9
405.13669	4.1
463.14786	0.4
519.29132	3.1
545.22266	0.6
567.27942	2.9
613.24683	0.4
681.34497	4.4
729.32562	3.1
845.49829	0.7
1007.55267	100.0
1008.55615	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	1007.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	0.3
71.05009	0.2
73.02905	2.4
79.05479	1.9
81.03394	1.6
81.07048	2.2
83.08648	0.6
85.02886	4.0
87.04443	0.2
91.03942	1.7
91.05464	1.1
93.07022	2.0
95.04981	0.6
95.08580	1.5
97.02885	3.5
97.03474	0.3
97.06497	0.2
97.10183	0.4
98.22697	0.4
99.04454	0.6
101.02396	0.8
103.03931	0.3
103.57804	0.2
105.07050	0.7
107.08599	0.9
109.02924	0.3
109.06463	0.2
109.10171	0.5
111.04415	0.2
111.08112	0.2
112.17688	0.2
115.03971	0.3
117.07033	0.3
119.08595	0.6
120.81612	0.2
121.10169	0.7
121.53971	0.2
123.08062	0.5
123.11693	0.3
127.03907	1.2
131.08563	0.4
133.10130	0.5
135.11720	0.3
145.04962	0.2
145.10066	0.3
147.11763	0.3
159.11598	0.2
162.76747	0.2
185.04248	0.8
201.03751	0.3
203.05295	0.7
243.08386	1.6
259.07977	0.4
266.61630	0.2
301.09097	0.2
301.20313	0.3
328.64413	0.2
335.25949	0.6
347.09445	2.2
349.19800	1.6
363.09109	0.8
365.10800	0.7
403.11575	0.2
405.13586	4.3
405.18628	0.2
463.14630	0.2
477.15683	0.3
519.29224	4.5
539.77625	0.3
551.28497	0.2
567.27649	1.9
626.78473	0.2
681.34430	6.5
729.32465	1.2
753.36670	0.3
845.49835	1.0
891.46033	0.5
919.47681	0.3
921.47443	0.5
1007.55243	100.0
1008.55347	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	1009.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01343	0.5
71.04983	0.5
73.02914	2.2
79.05484	1.4
79.71695	0.4
81.03441	0.6
81.07055	2.4
85.02885	2.8
91.03967	2.1
91.05498	2.0
93.07043	1.8
95.08617	1.3
97.02880	3.9
98.23495	1.3
99.04422	0.5
101.02357	1.2
107.08601	0.9
109.02901	0.7
117.06995	0.7
119.08609	0.5
127.03928	1.0
133.10121	0.5
135.11659	0.6
146.66132	0.5
153.03830	0.5
185.04225	0.6
203.05334	0.9
243.08495	1.7
248.81889	0.5
275.55087	0.5
347.09674	1.9
351.21579	1.9
363.09131	0.6
365.10507	0.5
389.23413	0.5
405.13617	4.4
519.29156	4.0
569.29535	3.5
681.34753	6.3
731.34692	2.0
847.52747	1.0
1009.56909	100.0
1010.57233	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	1018.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	3.8
79.05485	41.1
81.03411	6.6
81.07047	44.1
83.04979	12.2
83.08609	35.5
85.02903	7.6
85.06529	2.5
91.03952	1.7
91.05469	38.1
93.07030	39.5
94.04234	0.9
95.01342	1.5
95.04955	70.6
95.08598	22.8
95.09203	1.4
97.02869	1.6
97.06512	8.8
97.10161	11.8
99.04459	6.5
99.08087	1.2
101.05976	1.0
103.05463	2.9
105.04496	2.5
105.07014	37.4
107.04942	19.5
107.08578	37.9
109.06505	12.1
109.10146	13.9
111.04428	12.7
111.08058	8.9
114.79945	0.8
115.05430	1.5
117.06999	16.0
119.08566	30.0
121.06502	7.7
121.10131	21.4
123.08057	8.2
123.11691	3.8
125.05979	1.1
125.09619	11.6
128.06165	1.0
129.06972	5.6
131.08549	19.6
133.06482	2.0
133.10121	20.8
135.08055	7.5
135.11659	14.3
137.09607	2.8
139.11171	3.3
141.06972	1.8
143.08543	5.0
145.06480	2.8
145.10107	26.8
145.11215	1.8
147.08044	7.0
147.11659	11.8
149.09599	33.0
149.13231	3.0
151.11153	3.6
153.12723	2.1
155.08533	3.1
157.10129	5.2
159.11684	12.8
161.09610	3.7
161.13246	5.0
163.11153	36.6
163.14793	1.0
165.12747	5.7
167.10599	1.2
169.10107	6.0
171.10258	1.8
171.11662	4.8
173.09589	3.2
173.11829	1.8
173.13254	3.8
175.11169	4.0
175.14786	1.3
177.12804	5.1
181.12186	2.8
183.11673	3.1
185.13197	1.3
187.11142	4.4
187.14696	1.4
189.11200	13.3
189.12770	1.8
191.10597	2.0
191.14268	1.1
193.12177	1.4
197.13240	2.7
199.14906	1.1
201.12698	2.1
205.12224	6.1
219.13696	1.0
221.14885	1.1
223.13258	44.6
227.12759	3.2
229.19482	3.4
239.17859	5.4
247.20589	3.0
257.18961	10.6
259.20511	1.3
269.17398	1.7
273.18491	2.2
275.20026	76.2
276.20401	1.3
291.19394	4.1
293.21060	50.5
294.21542	0.9
301.35748	0.9
311.22012	1.6
331.22638	1.6
333.24167	2.8
349.23688	65.2
365.23380	1.9
367.24744	100.0
368.25003	2.2
383.24255	1.5
481.32098	1.0
513.35693	1.7
531.37817	1.6
543.36835	2.0
549.39093	1.8
605.41669	1.2
623.42987	31.2
641.44000	67.3
642.44537	1.7
659.45062	78.3
660.45239	1.4
677.45422	1.3
859.97241	1.0
1018.49506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	3.5
73.02908	2.0
75.72842	1.0
77.03940	1.6
77.49714	1.0
78.56242	1.1
79.05482	43.9
79.05943	2.2
81.03405	4.2
81.07046	100.0
83.04967	7.3
83.08611	15.6
83.28247	1.0
85.02895	4.5
85.06560	2.5
91.03951	1.3
91.05467	38.3
93.07030	33.1
93.07590	1.8
95.04954	15.9
95.08594	29.2
95.09210	1.7
97.02880	2.9
97.06523	10.6
97.10168	3.5
99.08091	3.9
102.80968	1.0
104.10729	1.8
105.04534	2.2
105.07013	36.0
107.04946	11.4
107.08575	25.1
109.06503	33.4
109.10142	12.3
111.08026	5.1
115.05375	1.1
117.07004	10.8
119.05012	0.9
119.08568	31.0
119.09416	1.9
121.06483	6.7
121.10126	16.9
123.08061	8.5
123.11692	8.0
125.09628	2.4
127.03847	1.4
129.07008	3.9
131.08546	15.8
133.06497	2.1
133.10112	23.2
135.08028	6.2
135.11684	7.6
137.09575	5.6
143.08563	3.7
145.04927	1.4
145.06471	1.3
145.10120	16.6
147.08051	3.1
147.11661	25.1
149.09587	11.1
149.13232	8.1
151.11177	4.0
152.33012	1.2
155.08499	1.7
157.10120	5.5
159.11667	11.6
161.09619	2.1
161.13194	5.0
163.11137	8.5
163.14822	1.8
165.12685	5.4
169.10075	1.4
171.11668	3.3
173.09694	1.7
173.13261	5.6
175.11209	4.0
175.14885	1.2
177.12787	3.0
179.14322	1.8
183.11716	3.2
187.11113	1.6
187.14801	3.1
189.11203	1.2
189.12764	1.6
190.27298	1.0
191.14252	1.4
193.12224	2.8
197.13231	1.6
201.12692	1.0
207.13779	1.3
215.14226	1.4
219.13702	1.1
223.13326	2.0
229.19482	3.1
239.18069	2.2
247.20602	5.4
257.18839	4.9
259.52042	1.1
267.15927	1.3
269.17520	1.5
275.20038	64.8
276.20709	1.3
291.19495	4.8
293.21075	13.1
331.22702	1.8
342.04547	1.0
349.23688	62.6
350.23853	1.5
367.24728	67.5
450.66751	1.3
504.30661	1.3
513.35455	1.5
543.36694	2.3
561.37610	2.2
623.42963	53.3
624.43335	1.5
641.43982	73.9
659.45038	68.7
659.54480	0.9
660.44818	2.4
832.70972	1.1
974.08783	1.2
1018.50732	7.6
1019.49854	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	1018.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50331	2.8
71.04977	3.8
76.86340	1.3
77.03930	1.5
79.05483	47.6
81.03427	7.0
81.07045	72.7
83.04974	9.4
83.08605	24.8
85.02895	7.5
85.06556	4.7
91.03957	1.9
91.05468	41.8
93.07034	38.9
95.04952	44.6
95.08591	26.2
95.09196	1.8
97.02896	2.4
97.06515	9.3
97.10164	9.7
98.22707	1.5
99.04431	3.0
99.08060	2.6
105.07022	37.9
107.04942	12.7
107.08578	32.1
109.02818	2.0
109.06509	17.6
109.10122	13.3
111.04426	4.5
111.08083	7.1
115.05436	3.3
116.06215	2.0
117.07001	15.2
119.08561	26.5
121.06498	7.1
121.10123	21.4
123.08070	9.2
123.11702	6.7
125.09621	6.9
129.07019	5.0
131.08557	18.8
133.10129	23.5
135.08055	7.6
135.11674	11.2
137.09587	4.1
141.07001	2.5
143.08533	6.5
145.06438	2.1
145.10098	23.2
147.08017	3.5
147.11661	15.1
149.09608	19.0
149.13225	8.3
151.11108	3.5
153.12703	2.3
155.08510	3.2
157.10141	4.7
159.11639	11.6
161.09587	2.8
161.13255	6.6
163.11162	21.6
165.12721	4.8
169.10088	3.6
171.11575	3.6
173.09586	2.8
173.13235	6.1
175.11185	3.8
177.12717	4.2
177.89507	1.4
181.12253	1.5
183.11681	3.1
185.13199	1.7
187.11124	3.4
187.14838	2.3
189.11189	5.7
191.14276	1.7
193.12167	3.8
197.13191	2.9
205.12173	3.6
215.14182	1.8
223.13222	16.3
227.12904	1.7
229.19458	2.1
239.17960	3.3
247.20569	4.1
257.19034	8.2
267.15878	3.8
269.17438	4.8
273.18576	1.8
275.20023	83.1
283.11505	1.6
291.19528	2.1
293.21051	30.9
311.22293	2.1
349.19357	3.2
349.23682	62.9
367.24750	100.0
449.28964	2.7
463.30469	5.7
543.36841	9.4
561.37708	2.6
612.70142	1.5
623.42883	39.6
641.43939	74.7
642.44177	3.6
659.45105	69.5
742.37390	1.7
1018.49744	10.9
1019.49200	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	1018.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	2.8
71.04990	8.3
77.03937	2.4
79.05482	59.7
80.28268	2.3
81.03416	8.2
81.07043	80.8
83.04974	6.1
83.08622	13.9
85.02891	10.4
85.06517	3.2
91.03911	3.2
91.05464	43.4
91.05991	4.5
93.07028	74.9
95.04958	18.9
95.08591	51.0
97.02898	6.7
97.06510	10.6
97.10152	4.4
102.39986	2.4
105.04508	3.6
105.07019	31.2
107.04966	4.6
107.08576	37.8
109.06494	8.9
109.10130	24.9
111.08066	5.2
117.06979	18.6
119.08562	28.0
121.06505	5.5
121.10118	26.3
123.08044	4.2
123.11726	7.6
125.09597	5.2
127.07523	2.8
129.06995	6.0
131.08540	25.8
133.10094	17.0
135.08063	6.2
135.11650	17.9
137.09607	4.6
143.08553	6.7
145.10075	18.1
147.07993	2.6
147.11688	14.9
149.09663	4.5
149.13232	11.4
151.11243	3.0
153.09100	3.8
153.12737	2.8
157.10101	4.3
159.11678	12.3
161.09647	2.9
161.13235	7.6
163.11171	5.6
169.10089	2.9
171.11678	4.9
173.11775	3.8
173.13245	9.7
177.12744	4.6
183.11671	2.7
185.13275	3.5
195.13855	4.2
219.17383	3.2
227.12686	5.1
229.14319	16.3
243.20970	2.9
257.18909	3.7
261.22098	10.5
269.17465	25.9
273.18600	3.3
275.20087	21.9
331.23013	3.1
335.25745	100.0
349.23648	18.5
355.74280	2.5
381.26437	4.5
384.02118	2.7
399.23828	3.1
413.21390	4.8
489.35867	15.4
511.38196	3.2
516.72772	2.6
529.38831	94.2
530.38672	3.3
569.41864	23.0
609.35071	3.4
609.44965	49.6
627.45392	7.9
641.47736	17.1
659.44629	3.1
673.43005	13.6
1018.49988	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	1018.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04978	4.7
73.02901	1.9
73.36409	1.9
79.05485	45.4
79.05941	3.3
81.03407	7.0
81.07047	66.4
83.04967	4.5
83.08624	10.1
85.02892	7.4
85.06518	2.8
91.03928	3.2
91.05463	31.6
93.07031	52.6
95.04948	11.8
95.08588	35.6
97.02892	5.2
97.06509	7.4
97.10155	3.9
98.23514	2.8
99.04472	2.0
105.04452	3.1
105.07020	23.8
107.04954	3.4
107.08577	29.7
109.06493	5.6
109.10127	31.2
111.04399	1.6
111.08067	4.2
115.05392	2.0
117.07005	12.2
119.08560	14.7
121.10128	21.5
123.08093	2.0
123.11688	6.3
125.09603	3.9
127.03902	2.5
129.05487	2.9
129.06950	3.0
131.08530	16.4
131.10893	1.6
133.10109	16.6
135.08003	3.4
135.11691	13.4
141.06961	2.6
143.08534	5.4
145.10115	9.1
147.08015	2.2
147.11649	12.5
149.09558	4.3
149.13260	7.9
157.10161	2.0
158.36771	2.0
159.11638	11.1
161.13229	3.5
163.11227	2.2
163.14954	2.0
169.10132	2.8
171.11719	2.2
173.11740	5.0
173.13266	5.7
177.12785	2.2
185.13147	3.1
189.11131	1.9
195.13809	2.4
217.15892	2.3
227.12709	3.6
229.14240	24.5
243.21173	2.6
247.20560	1.9
257.19025	2.4
261.21982	11.4
269.17426	9.6
275.20065	15.1
307.68167	1.6
309.20462	2.1
333.24277	2.4
335.25754	100.0
336.26031	2.4
349.23734	12.4
413.21741	2.3
489.35660	31.1
507.36902	2.7
529.38831	59.8
547.39111	2.6
569.41925	29.9
609.44952	38.1
625.44049	3.0
627.45410	5.2
633.39520	3.0
641.47546	12.3
673.42719	5.8
713.46063	3.7
1019.51843	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	102.9686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.9
58.95430	0.5
58.97921	0.7
60.95181	5.0
60.95845	100.0
61.95198	16.5
61.95518	0.8
62.94872	5.6
69.52877	0.4
69.53206	1.8
75.94541	6.0
78.96889	0.5
79.96255	0.6
81.03407	0.5
84.99590	0.4
88.51560	1.0
97.52068	0.7
100.02459	0.5
100.52418	0.7
102.91194	0.7
102.96856	48.9
103.00627	3.6
103.97211	0.5
109.02865	0.8
120.97890	31.3
121.01653	12.0
121.02501	0.7
121.98434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.6726
Annotation	Unknow
Peak:m/z	Relative Intensity
79.67766	0.2
81.03378	0.3
81.07018	0.4
81.23577	0.2
82.06587	1.7
83.04957	0.9
83.08605	6.3
84.08107	0.6
85.06516	0.3
88.49020	0.2
91.05442	0.4
93.13805	0.2
96.15874	0.2
97.02845	0.4
97.06558	0.2
98.09694	1.0
100.07602	3.3
100.11235	40.4
102.66153	0.2
105.06974	0.2
109.02871	0.4
110.06042	1.5
111.04422	4.8
112.07589	1.7
112.11246	0.2
117.03352	0.2
117.13874	0.7
118.06448	0.2
121.06503	0.3
126.09127	1.2
127.03892	0.4
127.08643	1.4
128.07050	3.9
129.05444	0.3
139.08635	2.3
140.07039	1.8
145.02808	0.6
147.11690	0.5
156.63861	0.2
164.14320	0.6
166.15907	0.6
168.13824	0.5
177.05421	1.4
178.05919	0.2
182.15373	16.7
187.06055	0.3
192.13896	0.6
209.16455	18.0
210.14853	23.3
219.07980	0.3
223.11125	0.3
226.19086	3.8
227.17496	1.9
228.15918	2.7
233.09419	0.3
235.07414	0.3
236.08253	0.5
245.18689	0.4
251.10635	1.4
263.10739	0.3
265.08710	0.3
267.10181	0.4
279.10071	3.1
287.05557	1.1
288.05856	0.5
293.22147	0.2
294.12445	7.5
295.09622	2.9
295.12875	0.3
297.11218	0.3
308.26984	0.6
309.25159	1.3
310.11954	2.9
325.14255	3.3
326.27933	4.4
335.24359	0.6
336.22745	3.2
337.21194	0.7
342.16928	1.7
343.30527	1.5
356.18414	1.3
434.35001	0.3
435.33203	1.6
436.31180	0.5
452.35922	2.4
453.34381	0.9
534.43921	0.5
552.44720	0.8
661.49957	6.8
679.51007	100.0
680.51703	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	1023.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45325	0.5
76.50974	0.4
77.03921	2.0
79.05493	0.7
81.07072	0.4
91.05479	1.5
93.07045	1.0
95.04955	10.6
95.08608	0.5
105.03379	55.6
105.04407	4.2
105.07005	1.8
117.06994	0.5
118.06487	0.5
119.08559	0.6
122.06002	0.5
128.06175	0.4
129.06985	1.1
130.06511	1.0
131.08546	1.3
132.08069	0.8
141.06993	0.4
143.07405	0.4
143.08549	1.1
144.08080	5.6
146.09662	1.7
147.08061	0.7
155.08559	1.4
157.10149	0.4
165.07013	0.5
167.08438	0.6
168.08156	0.4
174.09134	0.8
179.08580	0.8
181.10175	1.1
185.89755	0.4
192.09389	0.9
193.10161	1.8
194.11034	0.5
203.08685	0.7
204.09363	0.7
205.10201	1.0
206.11064	0.4
207.11743	1.1
209.13295	1.3
215.08568	1.0
216.09518	0.4
219.11627	2.3
230.10851	1.1
233.13165	1.1
235.14838	1.0
236.14481	0.4
237.12759	0.6
245.13293	1.7
246.12749	0.7
247.13672	0.6
260.14178	0.9
262.15884	3.0
273.12808	0.5
280.16873	3.3
290.15335	2.0
308.16409	4.1
320.22672	0.4
322.18103	0.6
350.17551	0.8
368.18530	0.9
384.19785	0.5
430.20126	1.0
468.63489	0.8
472.21146	1.3
490.21915	0.6
532.23175	3.4
594.24500	0.6
654.26868	100.0
655.27148	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	1023.5483
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	0.4
71.04996	0.5
73.02528	0.3
73.02904	2.1
79.05476	1.6
81.03419	1.0
81.07043	1.7
83.05004	1.0
83.08628	1.0
85.02888	3.0
85.03338	0.2
91.03937	1.6
91.05461	1.4
93.07019	2.2
95.04956	2.2
95.08601	1.3
97.02869	3.1
97.10185	0.3
98.23395	0.4
99.04478	0.9
101.02390	0.9
105.07006	1.3
107.04964	0.5
107.08556	1.4
109.02907	0.6
109.06541	0.5
109.10170	0.4
111.04469	0.8
117.07008	0.4
119.08591	0.7
121.06525	0.3
121.10141	1.1
123.08094	0.3
123.11765	0.2
127.03934	0.9
131.08597	0.9
133.06499	0.3
133.10141	0.5
134.67999	0.2
135.11708	0.4
136.06190	0.5
139.73404	0.2
145.04932	0.2
145.10179	0.8
147.08084	0.2
147.11766	0.6
149.09673	0.8
151.11244	0.2
159.11710	0.3
163.11169	1.1
173.13377	0.3
181.11974	0.2
185.04210	0.7
201.03816	0.3
203.05333	0.4
223.13342	1.0
229.19740	0.2
243.08333	2.2
275.20172	0.7
333.20322	2.3
342.23148	0.2
347.09372	2.2
363.09216	0.7
365.10709	0.9
389.22818	1.2
405.13574	5.0
405.18631	0.3
535.28741	0.3
551.28137	12.3
552.28687	0.4
567.28381	0.3
697.34198	0.3
699.46118	0.5
713.33453	8.2
714.33417	0.3
787.50543	0.3
832.18970	0.3
861.49805	1.6
935.33466	0.3
1023.54761	100.0
1024.54626	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	1023.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02933	1.6
79.05478	1.6
81.03429	1.7
81.07076	1.7
85.02890	3.9
91.03971	2.3
91.05508	1.2
93.07067	2.1
95.08618	0.9
97.02879	3.6
101.02373	0.7
105.07093	0.8
107.08652	1.0
118.04969	0.6
121.10175	1.0
127.03979	1.1
164.37428	0.5
185.04112	0.8
243.08498	1.9
344.94232	0.6
347.09695	1.7
363.66089	0.7
365.23096	1.6
405.13641	5.0
421.25873	1.1
519.29309	4.9
583.30920	1.8
585.58057	0.7
681.34607	6.4
691.15790	0.6
745.36426	2.4
897.48499	0.7
1023.58392	100.0
1024.58777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.6
51.02372	3.0
52.33957	0.6
53.03941	10.1
54.06105	0.6
55.01859	0.8
56.66059	0.6
56.96540	0.7
58.06593	5.0
59.04993	0.8
59.07377	1.2
60.08157	36.8
60.95846	37.3
69.03422	1.4
69.80704	1.4
69.81054	0.7
74.26735	0.6
75.94535	1.7
77.03923	13.4
81.03406	1.6
85.06525	0.8
87.04446	2.8
94.03693	0.6
95.04956	52.8
95.78888	0.6
96.05288	1.0
102.04685	4.5
102.96860	14.8
103.05457	100.0
103.09475	0.7
104.05798	2.4
104.10728	77.3
105.04506	19.9
120.97897	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	1032.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02906	1.6
76.02213	1.7
77.03947	1.4
79.05481	39.7
81.03411	8.9
81.07045	81.1
82.86591	1.2
83.04965	7.1
83.08604	14.9
85.02907	6.3
85.06528	3.8
85.76836	1.3
91.03932	3.7
91.05463	34.6
91.94057	1.5
93.07030	33.1
93.07590	2.2
95.04961	19.1
95.08596	18.2
97.02869	3.3
97.06500	8.4
97.10159	7.5
99.00806	1.6
99.04440	2.3
99.08036	2.3
103.05495	2.6
105.04485	2.5
105.07013	28.5
107.04945	11.1
107.08578	24.3
109.02870	5.0
109.06503	25.6
109.10133	9.9
111.04437	2.8
111.08085	6.3
115.05453	1.8
117.07001	12.9
119.08559	27.5
121.06473	8.1
121.10123	9.8
123.04383	2.7
123.08047	7.5
123.11687	6.6
125.09601	6.8
127.03978	1.9
129.06990	4.8
131.08548	12.4
133.06465	3.3
133.10115	20.6
135.04449	1.4
135.08034	10.5
135.11685	6.9
137.06018	2.0
137.09628	7.1
143.08569	4.0
145.06456	4.2
145.10100	10.8
147.08047	2.2
147.11659	14.5
149.09598	7.4
149.13248	4.6
151.11180	2.8
153.09047	1.8
153.12698	2.0
155.08589	2.8
157.10143	3.9
159.08002	2.8
159.11642	8.7
161.09590	4.5
161.13255	3.2
163.07530	4.7
163.11205	7.1
165.12747	4.3
169.10052	2.0
171.11644	2.1
173.09645	3.5
173.13251	4.3
175.11186	2.6
177.12770	1.6
183.11703	2.0
185.13139	1.5
189.11234	3.9
193.12173	14.1
197.13339	1.4
201.12712	1.5
204.70897	1.6
227.12872	3.1
229.19423	2.8
239.17957	1.8
243.17444	1.6
247.20616	4.1
257.19046	3.4
261.18579	1.7
267.15958	3.0
271.16846	1.8
273.18527	1.7
275.20044	41.9
283.82629	1.5
289.17969	18.5
291.19513	3.3
293.21091	12.2
307.19025	2.1
308.09015	2.5
349.23688	33.3
359.86322	1.5
363.21625	10.6
365.23157	1.7
367.24707	33.7
381.22650	59.4
541.34821	1.9
563.37183	1.5
575.35486	2.5
637.40881	14.1
639.42566	2.1
655.41895	92.8
673.42957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.573
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02911	0.8
75.08817	0.6
79.05482	34.0
81.03399	7.5
81.07046	36.3
82.40597	0.8
83.04970	10.1
83.08115	1.1
83.08611	21.7
84.90696	0.7
85.02894	6.2
85.06530	1.7
91.03946	0.9
91.05466	30.2
93.07033	29.2
95.04955	48.7
95.08591	14.5
97.02909	2.0
97.06524	5.6
97.10165	13.6
99.00815	2.1
99.04471	3.0
99.08076	2.3
103.05467	1.5
105.04507	2.3
105.07014	23.9
107.04948	12.7
107.05656	1.2
107.08578	24.1
109.02888	3.9
109.06497	9.7
109.10149	9.1
111.04427	8.6
111.08057	6.5
115.03917	0.8
115.05462	2.6
117.07002	11.6
119.04951	1.4
119.05997	0.7
119.08565	21.9
121.02878	0.7
121.06491	7.9
121.10130	12.0
123.04423	2.3
123.08071	5.8
123.11699	1.7
125.06033	1.2
125.09619	10.9
127.03892	1.1
128.06245	1.9
129.06993	4.1
130.07788	1.1
131.04994	1.0
131.08563	12.9
133.05504	0.6
133.06476	2.7
133.10114	18.6
135.08029	12.1
135.11671	8.0
137.05945	1.3
137.09596	5.0
139.11177	1.1
140.96834	0.7
141.06955	1.3
142.07617	0.7
143.08551	3.7
145.06448	4.2
145.10106	13.8
147.08040	5.1
147.11658	7.0
149.09598	16.4
149.13205	1.3
151.11162	2.9
153.09131	2.6
153.12718	3.7
155.08545	2.3
157.10143	3.2
159.07977	3.5
159.11661	7.5
161.09586	6.6
161.13278	2.4
163.07529	4.1
163.11157	18.1
165.09090	1.1
165.12767	2.9
169.10141	2.0
171.10228	1.3
171.11691	2.1
173.09615	2.3
173.11844	1.3
173.13268	3.2
175.11235	1.8
177.09077	0.9
177.12735	2.6
179.10657	2.7
181.10056	0.9
181.12259	2.2
183.11694	2.9
185.13220	1.7
187.11221	2.4
187.14796	1.2
189.09358	1.4
189.11234	8.7
189.12708	1.1
191.10670	2.2
191.14349	1.0
193.12227	11.9
197.13222	1.5
201.12761	1.0
205.12262	2.1
211.13260	1.3
211.15042	0.9
215.14308	0.9
215.17889	1.3
219.13782	1.0
223.13281	21.4
225.11104	1.1
227.12720	5.2
229.19528	1.8
239.18034	3.2
243.17442	1.7
247.20622	1.7
257.18979	5.6
261.18530	2.4
271.16956	3.1
273.18588	1.2
275.20026	40.2
276.20389	1.1
283.15454	3.7
285.17163	0.8
289.17957	14.8
291.19598	1.3
293.21060	27.2
307.19131	4.4
311.22217	1.3
313.21631	0.8
343.46967	0.8
345.20609	1.0
349.19373	1.3
349.23666	20.2
349.27676	1.2
363.21667	9.1
367.24753	44.4
381.22672	71.7
382.23410	1.3
463.30835	0.7
474.84799	0.8
483.30811	1.0
557.34540	3.7
559.36334	1.3
563.37506	1.2
575.35938	2.6
581.38409	0.9
619.40015	1.3
637.40900	7.7
649.37555	0.8
655.41882	37.1
673.42993	100.0
674.43201	2.0
691.43970	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02894	1.2
77.03941	1.5
79.05482	53.5
81.03405	10.3
81.07047	100.0
82.19347	1.1
83.04969	12.3
83.08598	18.7
85.02883	6.3
85.06522	3.3
90.21664	1.3
91.03957	1.5
91.05466	43.7
93.07033	37.3
95.04954	23.3
95.08014	1.8
95.08592	29.1
95.65367	1.4
97.02871	2.7
97.06526	11.0
97.09595	1.2
97.10161	14.3
99.04453	1.5
99.08093	3.2
101.47723	1.1
105.06335	2.3
105.07019	38.9
107.04950	12.8
107.07911	2.2
107.08577	28.1
109.06501	26.7
109.10138	14.8
111.04451	7.2
111.08073	8.3
115.05414	2.5
117.06995	14.6
119.08566	33.5
121.06473	8.2
121.10133	18.7
123.08058	19.1
123.11699	6.6
125.09613	15.6
127.07552	1.6
128.06189	2.7
129.06973	7.7
130.07753	1.4
131.08559	20.0
133.06436	4.0
133.10112	20.3
135.08041	10.1
135.11681	12.4
137.09598	8.2
139.11192	1.4
141.07024	2.0
143.08545	6.0
145.06445	1.9
145.10083	17.2
147.08046	10.1
147.11670	19.9
149.09610	10.6
149.13280	6.8
151.11130	4.2
153.09135	2.8
153.12737	3.9
155.08546	3.4
157.10141	7.3
159.08057	2.3
159.11694	8.3
161.09595	9.1
161.13177	4.5
163.11156	17.4
163.14864	1.9
165.09056	2.2
165.12724	4.5
169.10112	1.8
171.10182	2.0
171.11681	4.1
173.09610	3.7
173.11775	1.2
173.13237	4.3
175.11160	5.2
176.95834	1.1
177.12730	3.5
181.12236	5.7
183.11604	2.6
185.13229	2.6
187.11180	1.3
187.14798	1.6
189.11189	7.1
189.12700	2.4
191.10658	4.8
191.14169	1.2
193.12212	2.9
197.13232	1.5
199.11189	2.1
203.10529	1.5
203.14447	1.5
205.12173	1.8
215.14365	1.6
223.13216	3.0
227.12686	9.9
227.17894	1.4
229.19566	2.1
245.13794	1.4
245.19035	2.1
247.20525	3.2
249.14577	1.3
255.17393	3.9
257.18973	3.4
258.33664	1.2
267.15860	1.4
273.18463	26.4
275.20050	47.5
279.15442	1.3
283.15369	3.7
291.16232	2.1
291.19498	44.3
293.20981	11.1
309.20520	5.1
347.22208	13.9
349.23709	31.0
365.23166	44.3
367.24750	47.7
383.19653	1.8
383.24240	18.6
519.32996	5.4
557.34277	1.5
559.35999	3.6
565.39124	2.6
575.35425	1.8
583.39618	2.5
621.41412	11.8
639.42377	58.7
657.43488	66.5
675.44550	49.6
675.55176	1.0
1034.52356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.588
Annotation	Unknow
Peak:m/z	Relative Intensity
76.33309	1.3
77.03931	2.4
79.05480	51.5
79.05940	2.7
81.03396	10.2
81.07043	100.0
83.04966	11.3
83.08607	17.2
85.02881	4.4
85.06524	3.5
91.03929	2.6
91.05464	43.6
93.07032	39.0
95.04958	25.4
95.08591	25.1
97.02890	4.1
97.06508	11.6
97.10148	17.2
98.22646	2.9
99.00510	1.9
99.04437	2.1
99.08057	2.9
103.05473	2.4
105.04477	1.8
105.07011	37.0
107.04923	16.5
107.08578	25.5
109.06501	26.9
109.10158	14.1
111.04431	7.5
111.08070	7.1
117.07011	13.5
119.08559	34.7
121.06483	9.4
121.10117	19.5
123.08057	19.6
123.11700	6.1
125.09607	15.6
127.03898	1.9
128.06209	2.3
129.06987	7.1
131.08565	16.6
133.06438	4.3
133.10100	17.7
135.08002	10.5
135.11658	13.9
137.09605	6.6
141.06999	2.4
143.08556	6.9
145.06531	2.8
145.10101	19.9
147.08061	8.8
147.11655	19.5
149.09576	10.6
149.13252	5.7
151.11160	1.9
153.09152	1.9
153.12831	3.7
155.08582	2.1
157.10152	8.4
157.11308	1.7
159.11674	10.8
161.09612	6.9
161.13263	3.1
163.11156	18.7
165.09129	3.2
165.12776	4.0
169.10130	4.8
171.10262	1.7
171.11661	4.7
173.09653	4.6
173.13274	4.2
175.11198	5.0
177.12755	3.9
181.12297	5.7
185.09569	1.8
185.13232	2.1
189.11206	12.9
189.12677	2.7
191.10654	3.5
192.42438	1.6
193.12227	6.3
197.13264	2.1
201.12781	1.9
223.13332	6.0
227.12669	8.7
231.17516	1.8
245.19005	2.1
247.20647	2.8
255.17331	2.6
257.19055	4.7
273.18478	29.3
275.19992	40.1
283.15366	2.5
291.16321	2.5
291.19495	46.6
293.21033	11.5
309.20526	7.8
309.23856	1.9
347.22028	16.1
349.23672	32.6
365.23175	44.9
367.24689	35.8
383.24228	26.4
471.75360	1.7
519.32941	3.2
541.34967	2.3
543.36786	2.0
547.37628	1.7
557.34595	1.9
559.35681	2.6
565.38580	2.4
577.37164	1.8
583.39600	2.4
621.41132	16.1
639.42426	59.3
657.43500	63.5
675.44604	38.4
676.44745	2.1
795.81598	1.9
920.34906	2.0
1034.50391	2.7
1035.51697	4.1
1065.01538	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	2.9
78.94575	1.6
79.05482	71.5
81.03405	17.5
81.07045	100.0
83.04975	25.8
83.08607	46.8
85.02882	10.7
85.06547	4.1
89.61585	1.6
91.05466	64.2
93.06440	3.6
93.07030	66.2
93.12473	1.5
95.01347	2.8
95.04955	84.9
95.08594	35.3
97.02879	2.9
97.06516	13.7
97.10161	27.7
99.04413	8.3
99.08091	3.8
103.05488	2.5
105.03430	1.9
105.04501	3.5
105.07012	56.4
107.04948	26.3
107.08578	53.3
109.06500	19.1
109.10145	24.2
111.04427	24.5
111.08052	14.5
115.05449	4.2
116.06242	2.2
117.07003	24.4
119.05025	1.6
119.08553	50.3
121.06479	17.1
121.10132	34.9
121.87228	1.5
123.08048	27.8
123.11682	3.8
125.06035	2.0
125.09612	31.6
127.07494	2.1
128.06189	3.2
129.05498	1.9
129.06987	15.6
130.07779	2.2
131.08548	36.1
131.09451	3.0
133.06464	6.3
133.10120	30.2
135.08037	13.4
135.11674	20.6
137.09605	10.5
139.11186	4.4
141.06958	3.6
142.07744	2.8
143.08551	11.0
143.10556	2.0
145.06482	3.9
145.10091	42.3
146.07254	2.0
147.08032	15.5
147.11655	19.4
149.09589	37.0
149.13225	4.2
151.11157	5.6
153.09108	5.7
153.12695	8.7
153.23471	1.6
155.08548	4.5
157.10120	10.7
159.08078	5.6
159.11671	19.4
161.09598	14.2
161.13245	3.6
163.11157	48.4
165.09087	5.8
165.12714	4.6
169.10139	7.7
171.11662	8.7
173.09605	8.7
173.11824	2.2
173.13246	5.9
175.11113	8.6
177.12753	6.3
181.12157	8.2
183.11676	3.9
185.13232	3.2
187.11142	5.4
187.14818	2.2
189.11205	24.0
189.12727	3.4
191.10652	8.2
193.12227	4.9
195.11618	2.0
197.13220	2.4
201.12672	2.6
205.12186	6.6
211.14804	1.9
213.12943	1.7
213.16408	1.7
223.13239	34.4
227.12695	21.4
227.17845	2.4
229.19569	2.5
239.18069	2.6
245.19086	4.1
247.20631	3.0
249.14833	1.9
255.17493	5.0
257.19019	8.4
267.15799	2.5
273.18451	42.3
275.20047	64.0
283.15369	5.4
291.19513	69.3
293.21042	46.5
309.20551	8.5
329.21146	2.8
333.71347	1.6
347.22134	23.9
349.23672	39.6
365.23212	60.5
367.24716	79.6
383.24207	28.3
513.32080	1.9
528.52167	1.9
537.34265	3.1
557.34888	2.1
559.36401	3.2
565.39563	2.1
621.41437	15.1
639.42444	72.6
657.43524	97.3
675.44531	48.3
775.86627	1.8
813.95313	2.0
819.48090	2.6
1034.52832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	2.2
79.05038	4.4
79.05481	73.8
80.05891	1.9
81.03422	12.4
81.07043	100.0
83.04964	14.0
83.08610	43.1
85.02887	9.5
85.06522	5.8
91.05464	69.5
93.07027	58.3
95.04961	39.7
95.08588	39.2
95.09135	3.8
97.02871	6.7
97.06518	13.3
97.10146	21.4
99.04413	2.1
99.08070	5.0
103.05447	3.3
105.04514	4.4
105.07011	58.8
107.04937	28.3
107.07933	2.7
107.08588	38.6
109.02862	3.3
109.06489	22.2
109.10139	22.4
111.04407	10.1
111.08057	11.8
115.05442	4.4
117.06995	22.7
119.08562	53.3
121.06512	15.6
121.10139	26.2
123.08028	22.2
123.11674	5.2
125.09612	20.0
128.06155	3.3
129.06975	11.9
131.08548	26.4
133.06471	8.1
133.10091	34.8
135.08037	10.3
135.11670	18.8
137.09586	10.2
139.11111	3.5
141.06902	3.6
142.07768	2.7
143.08559	10.0
145.06474	8.1
145.10095	32.0
147.08023	14.2
147.11644	21.2
149.09584	32.0
149.13200	5.8
151.11145	6.8
153.09045	2.9
153.12680	4.5
155.08479	4.0
157.10085	11.2
159.08060	5.2
159.11607	16.1
161.09622	14.3
161.13214	4.9
163.11142	41.1
163.44954	2.0
165.09036	4.7
165.12726	4.1
169.10089	4.8
171.11650	7.6
173.09590	7.8
173.13219	10.4
174.14157	2.0
175.11180	7.1
177.12712	6.6
179.10489	2.1
181.12163	6.4
183.11653	3.4
185.11649	2.4
185.13216	5.3
187.11113	3.1
189.11198	12.4
189.12677	4.1
191.10622	5.9
191.14302	3.8
193.12244	8.0
197.13246	4.0
205.12080	3.1
206.46030	2.3
211.13091	2.2
213.16138	2.0
220.17595	2.1
223.13260	8.8
227.12642	14.5
227.17975	3.2
229.19357	3.3
239.17979	6.1
245.19029	4.2
247.20670	2.5
253.14290	2.2
255.17455	4.1
257.19025	11.0
267.15845	2.2
273.18497	36.5
275.16995	3.8
275.20010	64.0
276.20474	2.6
283.15338	3.5
291.19467	52.7
293.21048	17.5
309.20569	7.5
347.22156	16.2
349.23660	63.8
365.23138	49.2
367.24768	49.6
383.19788	3.2
383.24240	22.6
519.32977	4.1
559.35687	5.3
575.35114	3.5
577.36798	2.7
613.75165	2.3
621.41254	16.0
629.43127	2.3
639.42419	77.9
657.43475	80.3
675.44403	43.4
777.02899	2.9
1034.50684	14.7
1035.49597	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	1037.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	1.1
84.97965	1.5
89.51562	1.3
95.04967	8.4
105.03378	40.4
105.04518	3.5
105.06988	1.6
124.66832	1.2
129.07016	1.2
152.08948	1.1
158.09647	2.0
158.41083	1.2
172.56392	1.2
178.07761	1.4
181.10149	1.3
193.10184	1.9
204.94333	1.3
205.10204	1.5
219.11867	1.4
231.63211	1.3
263.13940	1.3
276.17474	2.2
292.19943	1.4
294.18661	1.7
298.34961	1.3
379.41257	1.3
397.66818	1.4
444.21249	1.8
546.24774	9.3
608.26575	1.9
668.28430	100.0
669.29120	1.8
959.13086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.529
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02921	1.8
79.05479	1.8
81.03414	1.2
81.07048	2.2
83.04995	0.5
83.08636	1.1
85.02890	3.4
87.04503	0.5
91.03970	1.4
91.05001	0.4
91.05441	1.7
93.07065	1.3
95.04982	1.4
95.08620	1.1
97.02878	3.0
97.10218	0.5
98.23462	0.6
99.04467	0.8
101.02395	0.9
105.07052	1.0
107.04989	0.8
107.08604	1.1
109.02891	0.8
109.06548	0.5
109.10164	0.6
115.03908	0.4
117.07027	0.6
119.08611	0.8
121.10169	0.9
123.08052	0.4
127.03931	1.0
129.05531	0.3
131.08563	0.6
133.10170	0.9
135.08080	0.5
135.11732	0.3
143.08559	0.3
147.11749	0.4
149.09631	0.6
159.11731	0.5
163.11214	0.8
171.32582	0.3
185.04221	0.9
193.12238	0.5
203.05293	0.7
223.95154	0.3
243.08362	2.6
260.51840	0.3
333.20401	0.8
347.09515	2.3
347.18210	0.4
350.54532	0.4
363.09241	0.7
365.10715	1.0
389.22861	0.6
403.20895	0.4
405.13647	5.8
439.19275	0.6
463.14102	0.6
467.19223	0.4
477.16089	0.4
531.20862	0.5
551.28235	5.6
565.26196	3.5
601.25354	0.6
629.24188	0.5
713.33350	5.0
727.31653	1.9
785.35352	0.5
875.47803	1.0
968.44073	0.6
1037.52722	100.0
1038.52954	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	1039.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02902	1.8
78.53106	0.4
79.05482	1.8
81.03409	0.8
81.07046	3.1
83.04503	0.3
83.04986	0.5
83.08617	0.3
85.02894	3.0
91.03969	1.4
91.05470	1.5
93.07001	1.6
95.04974	0.8
95.08631	1.0
97.02879	3.3
97.10115	0.6
99.04461	0.6
101.02410	1.1
103.05441	0.3
105.06985	1.4
105.35187	0.4
107.08614	0.9
109.02872	0.5
109.06504	0.5
109.10164	0.7
117.07121	0.4
119.08599	0.8
121.10120	0.6
123.08102	0.6
123.11735	0.4
125.09718	0.3
127.03927	0.9
129.06984	0.4
133.10194	0.6
147.11700	0.7
157.10092	0.3
177.12759	0.3
185.04242	0.5
201.03766	0.6
203.05275	0.5
207.29793	0.3
221.57471	0.3
240.73232	0.4
243.08347	2.5
301.09164	0.8
301.55457	0.3
333.20316	0.9
347.09344	1.8
349.19769	1.4
363.09174	1.1
365.10519	0.7
376.35226	0.3
405.13638	5.2
406.32043	0.3
423.20035	0.6
425.21606	0.5
463.13980	0.7
477.15936	0.4
481.20691	0.4
551.28168	5.2
567.27545	2.9
585.25305	0.8
613.24786	0.4
630.83704	0.4
713.33331	4.8
729.33075	2.5
749.39307	0.4
785.35602	0.5
791.42188	0.3
801.33661	0.4
877.49835	1.1
911.45898	0.4
935.40436	0.5
1039.54297	100.0
1040.54419	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	1039.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02908	1.6
77.35776	0.2
79.05476	1.8
81.03407	0.9
81.07048	2.0
83.04996	0.6
83.08626	1.0
85.02886	2.8
87.04481	0.2
91.03944	1.4
91.05466	1.9
91.90929	0.3
93.07025	1.2
95.04947	1.2
95.08612	0.8
97.02884	2.8
97.03461	0.2
97.06554	0.5
97.10180	0.5
99.04468	0.7
101.02405	0.9
105.07014	1.1
107.04974	0.3
107.08556	1.4
109.02879	0.4
109.06534	0.3
109.10190	0.5
111.04469	0.8
111.08125	0.4
117.07056	0.6
119.08610	0.8
121.10160	1.1
123.08078	0.6
125.09667	0.7
127.03951	0.9
131.08588	0.7
133.10153	0.4
135.08060	0.3
135.11678	0.4
137.09659	0.2
145.10173	0.6
147.08044	0.3
147.11742	0.3
149.09662	0.5
153.12865	0.3
159.11630	0.2
163.11227	0.5
171.11720	0.2
181.65941	0.2
185.04279	0.6
201.03741	0.3
203.05310	0.5
223.13345	0.4
243.08345	2.1
261.07672	0.2
275.20120	0.5
301.08743	0.3
331.17880	0.2
333.20453	1.0
347.09433	2.1
347.13144	0.3
349.19769	1.4
351.20419	0.5
363.09061	0.7
365.10648	0.8
372.11780	0.2
389.23160	0.7
403.12515	0.3
405.13626	5.5
405.22214	0.4
431.17581	0.3
463.14493	0.5
497.20193	0.4
503.17551	0.2
545.22394	0.3
551.28168	5.6
551.36322	0.3
567.27679	4.0
613.24866	0.7
623.30493	0.3
639.28809	0.2
647.72601	0.2
659.25647	0.4
713.33246	5.2
729.32941	3.2
761.40985	0.3
785.35938	0.7
877.50250	0.7
923.45300	0.4
1039.54321	100.0
1040.54272	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92774	0.1
56.22761	0.1
58.06592	4.8
59.07375	1.6
60.08156	49.3
61.08490	0.5
69.03439	0.1
69.56722	0.1
69.57313	0.4
86.09714	0.3
87.04450	0.4
87.87338	0.1
88.07611	0.2
104.10729	100.0
105.10426	0.1
105.11057	1.9
121.55992	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	4.9
59.07385	1.5
60.08158	49.6
60.65184	0.1
61.08489	0.5
69.03423	0.8
70.42788	0.1
71.90335	0.1
82.97181	0.1
86.06058	0.3
87.04464	1.7
98.63045	0.2
104.10733	100.0
105.11063	2.0
106.97930	0.2
118.89334	0.2
123.34965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02872	0.9
77.03856	0.8
79.05478	23.2
79.24776	0.4
81.03404	8.0
81.07043	27.8
81.07491	1.0
83.04969	6.9
83.08607	9.2
85.02897	5.3
85.06469	1.9
89.65092	0.4
91.03956	2.1
91.05464	22.4
93.07029	20.2
95.04952	12.3
95.08589	8.0
97.02869	4.5
97.06514	4.9
97.10148	11.2
99.00783	2.8
99.04379	1.5
99.08025	0.7
103.05403	0.9
105.04454	1.8
105.07012	16.6
107.04943	10.3
107.08574	16.8
109.02853	7.8
109.06496	7.6
109.10141	6.1
111.04429	5.4
111.08031	3.0
114.92105	0.4
115.03838	1.3
115.05421	2.5
117.06181	0.5
117.06993	9.6
119.04898	1.0
119.08554	13.6
121.02815	1.1
121.05738	0.5
121.06494	7.8
121.10126	4.7
123.04398	3.6
123.08057	4.2
123.11629	1.7
125.02235	0.6
125.05971	0.8
125.09607	9.0
127.03837	1.6
128.06134	1.7
129.06970	3.9
130.07692	0.5
131.08548	6.3
132.05580	0.6
133.06470	3.2
133.10109	13.4
135.04306	1.3
135.07068	0.9
135.08034	16.1
135.11670	3.9
137.05894	1.2
137.09579	4.4
139.07454	1.3
141.06934	1.3
142.07718	0.9
143.08536	4.0
143.10661	0.5
145.04810	0.7
145.06467	4.7
145.10094	6.1
147.08026	3.8
147.11620	2.2
149.05888	1.0
149.09604	3.1
151.11156	3.1
153.09093	4.6
153.12703	3.2
155.08472	1.7
157.06465	0.6
157.10103	3.5
159.08035	6.4
159.11603	2.1
161.09578	8.3
163.06186	0.9
163.07506	8.7
163.11188	4.5
165.09065	0.8
169.00279	0.5
169.10071	1.6
171.07938	1.5
171.10081	1.6
171.11612	0.7
173.09549	3.2
175.07475	0.6
175.11142	2.5
177.09055	1.5
177.12659	0.8
179.10626	3.7
181.12164	1.3
183.11659	0.7
185.09525	0.7
187.11047	1.3
187.98694	0.5
189.09062	1.8
189.11128	5.5
189.12704	1.0
191.10631	2.2
193.12216	25.1
201.12659	0.8
211.11310	0.6
211.13213	1.2
215.17833	0.7
219.13824	0.6
221.11533	1.3
225.11043	0.9
225.16260	0.8
227.12703	4.7
239.12790	1.0
243.17453	3.3
249.14665	0.5
253.15756	0.9
261.18402	4.1
263.12607	0.6
267.15851	0.9
271.16849	6.5
273.18439	1.2
275.20035	0.6
279.19287	0.7
283.15302	1.4
285.16730	0.5
289.17929	28.3
291.19482	0.8
307.18985	7.7
329.21027	0.5
345.20639	0.6
363.21609	12.0
379.21176	0.7
381.22653	100.0
382.22998	1.8
425.26639	0.6
475.26987	0.9
477.28412	1.8
533.31085	1.6
541.31604	0.5
551.31665	0.9
555.32898	0.9
571.31714	0.7
573.34015	2.9
589.33557	1.0
595.36047	1.3
613.37732	0.6
633.37421	0.8
651.38873	3.8
669.39850	23.2
687.40881	81.9
688.41479	1.9
705.41858	0.7
835.63727	0.5
933.72076	0.5
1063.91516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02867	1.4
77.03926	1.7
79.05482	60.3
81.03409	15.5
81.07043	91.0
83.04969	19.1
83.08608	21.3
85.02884	6.7
85.06526	4.2
91.03941	2.6
91.05467	48.7
93.07034	47.4
95.01317	1.2
95.04951	30.1
95.08588	21.0
95.09135	2.0
97.02888	6.3
97.06519	11.3
97.10159	34.0
99.00797	3.3
99.04443	4.2
99.08082	2.5
103.05455	3.6
105.04511	4.1
105.07013	37.3
105.07719	2.0
107.04930	18.1
107.08577	36.5
109.02858	7.1
109.06506	15.3
109.10135	15.0
111.04426	18.8
111.08060	11.1
115.03967	1.3
115.05438	3.3
116.06255	1.1
117.06995	22.3
119.04922	3.2
119.07719	2.3
119.08562	35.0
121.02867	1.8
121.06485	14.8
121.10139	13.1
123.04411	5.1
123.08049	22.7
123.11688	2.3
125.05993	1.9
125.09608	27.0
127.03944	2.0
128.06218	4.7
129.06981	10.1
131.04895	2.0
131.08548	19.8
133.06451	7.4
133.10109	19.0
135.04369	2.0
135.08022	21.7
135.11661	12.6
137.05988	2.4
137.09605	8.6
139.07559	2.0
139.11150	1.5
141.06931	3.0
142.07785	3.4
143.08546	10.0
145.06418	7.9
145.10115	19.9
147.08023	17.3
147.11696	7.8
149.05896	1.5
149.09589	8.7
149.13217	1.9
151.11148	4.1
153.06982	1.5
153.09077	6.7
153.12718	9.0
155.08560	3.6
157.10130	8.4
159.08035	9.5
159.11665	7.7
161.09612	17.3
161.13263	1.6
163.07582	6.6
163.11165	20.9
165.09088	5.1
165.12755	1.4
167.08492	1.8
169.10107	2.4
171.08057	1.4
171.10263	2.3
171.11670	4.8
173.09601	7.5
173.11691	1.4
173.13174	2.3
175.11162	8.9
177.12717	3.1
179.10669	4.1
181.10065	1.1
181.12222	6.5
183.11674	1.3
185.09526	3.0
185.13286	2.6
187.11156	3.3
189.09312	2.1
189.11197	16.7
189.12759	2.5
191.10577	7.5
193.12218	20.5
195.11639	1.6
199.11140	1.7
199.14931	2.7
209.11691	2.0
211.13188	1.6
221.11586	1.4
223.13226	4.4
227.12717	18.9
227.17947	2.5
243.17352	3.1
245.18939	3.8
248.02167	1.1
249.14789	2.4
255.17387	4.9
260.59573	1.3
261.18527	4.2
271.16864	6.2
273.18448	42.4
283.15314	7.1
289.17935	26.2
291.19507	67.7
307.19037	7.0
309.20599	11.0
329.21057	2.6
347.22174	16.9
363.21487	8.6
365.23160	49.9
381.22668	93.3
383.24234	19.2
409.27213	2.0
529.31677	1.8
533.30945	3.5
551.31885	3.2
555.32837	3.4
557.34564	1.4
561.35040	1.7
573.34100	9.1
579.36169	1.9
589.33380	2.2
597.37561	4.0
607.34363	3.5
635.39484	6.8
653.30054	1.8
653.40399	34.0
671.41443	100.0
672.41254	1.7
689.42493	62.2
690.42957	1.8
1085.32788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.7
50.06469	0.2
51.02376	4.6
53.03940	14.4
54.04277	0.4
55.01860	1.1
62.37867	0.2
70.61790	0.4
77.03918	18.3
78.04265	0.3
79.05483	5.3
79.05933	0.3
81.03407	1.7
95.04954	100.0
96.05273	2.2
97.05343	0.4
103.05454	3.0
105.03368	35.5
105.04490	38.5
105.07005	9.3
105.11046	0.9
106.03690	1.1
106.04847	0.8
106.06498	0.7
106.07240	0.3
108.51791	0.3
118.06534	0.4
123.60445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01587	0.6
51.02368	2.2
53.03939	5.1
65.03917	0.9
77.03919	6.9
77.66431	0.5
79.05479	47.9
80.05802	1.0
85.82121	0.5
89.44631	0.6
95.04954	25.4
96.05309	0.6
103.05450	30.7
105.04504	10.1
105.07012	100.0
106.06716	0.5
106.07327	3.0
107.25661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04480	0.6
78.04704	3.1
79.05484	4.2
81.03412	3.9
81.07056	0.9
82.04159	1.0
85.02888	3.9
89.03921	1.7
91.05460	9.3
93.03391	2.1
93.07029	1.9
94.04184	0.8
95.04957	7.8
97.02885	2.5
97.06504	0.9
99.04424	0.7
103.05453	5.4
105.03379	2.0
105.04508	2.1
105.07008	4.8
106.04171	4.8
107.04929	11.1
108.02061	0.7
109.02862	2.0
109.06503	2.6
110.03645	1.8
111.04443	1.5
112.07618	0.6
115.05437	4.7
117.03391	0.7
117.07009	5.0
118.04167	0.8
119.04909	2.2
120.05712	2.0
121.02843	0.7
121.06491	7.8
123.04403	7.7
124.05191	2.2
125.05985	2.7
127.03911	1.8
127.05441	1.0
128.06169	0.8
128.86592	0.6
129.06975	1.2
131.04930	6.1
131.08589	1.0
132.05650	1.0
133.02823	2.3
133.06464	4.4
134.03639	1.7
135.04367	3.3
136.05183	1.9
137.05948	5.7
138.03116	0.9
139.07462	0.7
143.04895	1.7
144.05682	1.5
145.02820	1.5
145.06471	12.7
147.04385	1.9
147.08023	1.7
148.05159	3.9
149.05962	9.7
151.03848	2.1
151.07521	6.5
152.04631	2.1
153.05432	3.8
153.09094	1.7
154.06111	0.6
155.05984	3.7
155.07063	1.1
156.05682	0.9
157.06451	0.8
159.08028	1.2
160.05177	1.8
161.05949	8.0
163.03873	6.2
163.07455	4.3
164.04576	0.8
165.05452	6.4
165.06966	2.8
166.06213	0.9
167.07014	100.0
168.07323	0.8
171.06523	3.2
171.09848	0.6
172.05270	0.7
173.05943	18.0
175.03911	0.6
175.07518	5.0
176.04597	1.0
177.05464	11.9
177.09068	1.4
178.06071	1.0
179.07024	4.0
180.07741	1.2
181.04926	51.1
181.08412	4.7
183.06505	1.9
187.07520	1.3
188.08313	1.0
189.05524	1.1
189.09120	1.6
190.06206	3.1
191.06992	12.5
193.08568	9.0
195.06525	3.1
197.06395	0.9
197.07999	4.2
199.07478	0.7
201.05368	1.7
201.09108	0.7
202.06236	0.7
203.06998	8.2
205.04749	0.6
205.08537	9.7
207.06494	4.6
209.08060	26.5
211.07526	0.9
217.08565	3.5
219.06448	1.7
219.10027	1.1
220.07146	0.9
221.08037	1.7
225.07512	1.6
226.09978	0.6
227.07001	0.9
229.08711	1.1
231.06340	0.6
233.08026	6.9
234.08746	0.8
235.07535	0.9
235.09630	6.8
241.08522	1.0
247.07399	0.7
247.09724	2.6
249.05446	0.7
249.09056	1.0
253.08640	1.0
255.10210	0.7
257.08182	0.7
261.08936	0.8
263.09131	2.4
264.07645	0.8
265.08316	1.4
265.10843	1.4
269.08255	0.6
271.09641	1.0
277.08237	0.7
279.09946	0.7
282.08881	0.7
285.11154	0.9
287.05481	0.9
293.08051	1.6
295.09549	0.7
297.07584	0.7
297.11212	0.7
299.09180	1.2
302.14172	0.6
309.07446	0.8
309.10962	0.9
310.08240	0.9
314.11389	0.9
323.08844	0.7
325.10611	1.4
329.10065	1.0
329.13693	0.7
337.10757	1.0
339.10922	1.1
357.13281	5.6
359.11133	2.0
367.11676	0.9
369.13455	2.7
370.14151	1.0
373.12689	0.8
385.12659	7.6
387.14294	11.5
397.12701	2.2
398.13641	0.7
399.14191	1.0
415.13806	3.2
416.14590	21.3
417.15372	35.6
418.15796	1.2
577.20386	1.1
579.20508	0.8
587.50116	0.6
595.21637	71.5
596.21661	2.3
607.21716	3.8
609.22595	0.9
625.22955	3.8
643.23840	29.9
644.24365	0.8
787.28284	0.7
805.28955	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	1050.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02919	3.0
79.05483	75.4
81.03407	19.5
81.07041	85.1
82.76361	3.0
83.04969	31.4
83.08611	42.6
83.09083	3.7
85.02897	9.4
85.06522	4.4
90.90443	3.0
91.05471	79.5
93.07030	68.9
93.14156	2.8
95.04954	100.0
95.08598	45.2
97.02858	16.7
97.06512	16.9
97.10148	24.7
99.04436	7.6
99.08096	4.9
103.05470	3.0
105.04496	5.0
105.07018	62.7
107.04934	33.2
107.08578	58.0
109.02895	3.8
109.06502	24.2
109.10131	39.2
111.04417	16.5
111.08006	12.3
115.05479	3.7
116.04688	6.0
117.06992	31.5
119.08562	47.8
121.06477	19.5
121.10125	32.3
123.04433	11.2
123.08064	19.8
123.11696	6.0
125.06026	3.3
125.09622	30.3
127.03931	2.9
128.06224	5.1
129.05473	15.5
129.06996	11.3
130.02481	2.5
131.08546	31.4
133.06441	6.8
133.10110	26.9
135.08040	26.3
135.11650	26.5
137.09590	22.9
139.11162	6.8
141.06989	4.7
143.07056	4.8
143.08556	12.0
145.06456	4.6
145.10098	35.2
147.08017	13.9
147.11647	18.0
149.09590	39.6
149.13181	3.9
151.07571	2.9
151.11214	8.1
153.09088	9.6
153.12758	4.7
155.08574	6.0
155.10695	3.0
157.08592	9.9
157.10123	10.3
159.08040	4.4
159.11659	17.5
161.09602	13.7
161.13220	6.0
163.11163	51.5
165.09123	5.3
165.12746	8.3
169.10110	3.3
171.10223	6.3
171.11630	5.6
173.09583	6.4
173.11732	8.0
173.13240	7.6
175.11143	6.3
177.12721	11.0
181.12219	5.7
183.11633	5.5
185.13274	4.6
187.11269	6.2
189.11143	14.7
191.10629	4.8
191.14406	3.1
193.12227	23.6
197.13211	7.4
201.12842	3.8
205.12236	6.1
207.09943	3.0
211.13345	3.4
215.18037	3.1
221.11679	4.4
223.13260	54.0
227.12791	11.8
229.14270	19.2
229.19479	3.6
239.12646	3.1
239.17975	7.1
245.19101	5.7
247.20616	5.0
248.12228	2.8
257.19003	11.7
267.16043	3.9
273.18524	20.4
275.16995	5.6
275.20032	92.0
289.17975	16.8
291.19525	20.6
293.21088	59.2
307.19180	4.2
331.22723	3.7
347.22168	18.0
349.23679	45.6
363.21857	5.4
365.23199	26.4
367.24774	65.0
378.31232	2.7
381.22574	11.4
399.23718	52.9
408.63797	2.9
463.30719	3.4
503.33246	7.8
521.34705	35.6
543.36896	6.1
561.03210	2.8
561.37335	8.0
621.41064	4.4
637.40710	5.9
639.42450	31.1
641.43378	4.0
655.41736	9.4
657.43555	39.8
673.43079	36.9
675.44214	3.2
677.79498	2.8
691.43939	85.3
1050.52478	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	1050.583
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	1.3
73.83474	0.9
77.03911	2.0
79.05480	51.5
81.03406	14.9
81.03881	0.9
81.07043	88.6
83.04507	1.6
83.04965	16.1
83.08604	17.6
85.02473	0.8
85.02892	6.1
85.06522	3.5
91.03950	1.2
91.05465	44.4
93.07030	38.1
94.04160	1.0
95.01341	1.1
95.04958	26.6
95.08588	23.3
97.02853	3.0
97.06520	10.6
97.10152	28.2
99.04436	3.0
99.08060	2.4
101.06018	1.1
103.05425	1.6
105.04490	2.6
105.07014	32.2
107.04238	1.4
107.04935	18.1
107.08578	26.7
109.06499	16.0
109.10132	16.1
111.04414	16.8
111.08063	8.3
114.04960	0.8
115.05443	4.0
117.07005	19.8
119.04969	1.6
119.08558	31.3
121.06489	11.0
121.10135	16.4
123.04398	1.7
123.08051	26.2
123.11695	1.8
125.05951	1.7
125.09620	26.0
128.06198	3.5
129.07001	8.7
130.07793	1.0
131.04863	1.4
131.08548	23.2
133.06454	6.4
133.10101	15.0
135.08026	12.0
135.11670	13.8
137.05920	1.0
137.09604	7.6
139.07538	1.4
139.11133	2.0
141.06953	2.1
142.07768	1.9
143.08524	8.3
143.10677	1.1
145.06499	4.4
145.10095	24.1
146.07275	1.0
147.08017	16.2
147.11650	10.6
149.09579	11.2
149.13248	2.1
153.09061	4.6
153.12733	8.2
155.08519	3.4
157.06454	2.1
157.10098	8.0
159.08012	4.0
159.11684	7.0
161.09604	14.7
161.13217	1.8
163.11159	23.7
165.09132	5.1
165.12715	2.2
169.10085	3.1
171.08012	1.6
171.10245	1.6
171.11554	4.6
173.08347	1.0
173.09604	6.5
173.13197	1.7
175.11194	8.7
177.09053	1.0
177.12726	3.0
179.10663	1.0
181.10231	1.3
181.12213	7.8
183.11659	2.0
185.09590	1.3
185.13245	3.7
187.11153	3.6
187.14696	1.2
189.11179	18.9
189.12703	3.3
191.10640	5.8
193.12166	6.3
195.11760	2.0
197.13388	0.9
199.11134	2.6
201.28474	1.0
203.14272	1.9
205.12215	1.9
209.11612	1.9
211.11263	1.0
213.12717	2.2
213.16283	1.4
217.12321	0.9
219.13675	1.0
223.13185	5.9
227.12737	22.2
227.17931	3.6
230.24741	1.7
231.17322	1.2
237.16441	1.3
245.13800	1.4
245.19005	7.0
249.14783	3.1
255.17468	6.2
263.20032	2.7
267.15848	1.7
273.18457	59.0
274.18787	1.3
283.15259	5.2
289.17993	1.9
291.19501	100.0
309.20517	14.9
329.21039	2.5
337.23688	1.0
347.22137	25.4
365.23163	80.6
383.24222	41.6
393.27478	1.2
411.28680	1.1
517.31262	2.0
527.33862	1.4
529.35126	1.8
535.32495	5.9
541.35199	1.0
545.35620	2.4
557.34344	3.6
559.16901	1.0
559.35828	1.7
563.37067	2.3
573.34021	2.0
581.37964	2.9
591.34583	2.1
599.38989	1.1
619.39801	5.8
627.41467	1.1
637.40833	25.5
655.41931	60.4
673.42938	42.7
691.44086	19.6
763.42853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02885	3.2
77.03907	2.7
78.40963	0.9
79.05480	52.5
81.03399	9.4
81.07044	100.0
83.01299	1.7
83.04971	10.7
83.08602	17.8
85.02898	7.0
85.06513	3.6
85.85123	1.1
89.38617	1.2
91.03928	1.3
91.05466	46.2
91.56214	1.0
93.07030	43.5
95.04954	26.8
95.08592	26.4
96.05779	1.3
97.02891	9.6
97.06519	14.6
97.10147	9.5
98.07263	1.4
99.04438	1.9
99.08083	3.1
103.05442	1.7
105.04517	3.2
105.07015	42.5
105.07726	2.1
107.04923	14.1
107.08578	28.4
109.02836	2.3
109.06503	30.0
109.10142	29.5
111.04414	3.9
111.08064	6.1
112.07584	2.4
113.06042	1.6
115.05456	3.4
116.04719	3.2
117.07018	15.3
119.04909	1.4
119.08563	35.3
119.09413	2.5
120.24511	1.0
121.06479	6.4
121.10132	18.4
123.04399	3.1
123.08060	11.4
123.11699	7.5
125.06009	1.4
125.09620	11.7
128.06198	3.0
129.05460	10.3
129.06956	7.2
131.08548	16.8
133.06485	4.1
133.10114	23.2
135.08032	13.6
135.11691	13.1
137.05992	1.5
137.09592	13.7
139.07523	1.4
139.11147	2.5
143.07011	2.7
143.08534	4.8
145.06444	3.5
145.10097	16.7
147.08044	8.3
147.11658	20.8
149.09598	13.7
149.13251	10.8
151.07568	1.8
151.11150	3.5
153.09073	4.0
153.12726	1.6
155.08545	2.2
157.08578	5.1
157.10106	7.4
159.08058	2.4
159.11661	10.4
161.09555	5.2
161.13245	4.7
163.07570	1.3
163.11159	12.6
163.14793	1.6
165.09085	2.8
165.12708	5.2
169.10039	2.2
171.10129	4.0
171.11659	3.9
173.09589	2.5
173.11691	5.0
173.13235	5.6
175.11198	5.4
177.12744	3.7
179.14320	1.7
181.12164	1.9
183.11769	2.6
185.13268	2.5
187.11165	1.9
189.11172	4.0
191.10591	2.2
191.14301	2.1
193.12189	10.9
195.13739	1.7
197.13306	1.2
199.13257	1.6
201.12782	1.8
201.16365	1.5
209.11633	1.7
215.14297	1.9
215.17938	1.6
221.11731	2.3
223.13219	3.0
227.12764	4.8
229.14314	14.4
229.19463	5.2
231.17363	1.2
233.15222	1.7
239.12720	2.0
239.18134	2.4
245.19009	2.2
247.20509	4.0
255.15585	1.9
257.18942	4.9
263.19949	1.4
267.15845	5.2
269.17432	3.8
273.18457	14.0
275.20013	61.4
289.17908	6.0
291.19565	12.6
293.21057	11.7
295.15305	1.3
307.19174	2.1
313.16458	2.2
331.22626	1.9
347.22101	7.0
349.17065	2.1
349.23679	37.1
363.21539	3.9
365.23132	12.7
367.24777	33.4
381.22626	5.5
399.23740	25.5
463.30890	1.4
503.33588	16.1
521.34528	12.4
522.36224	1.2
543.36487	9.3
557.34387	1.9
561.37738	2.1
575.36139	1.4
621.41473	5.7
623.43109	2.1
637.40692	2.1
639.42487	25.4
641.43695	2.0
655.41467	5.1
657.43488	15.4
673.32166	1.9
673.42938	33.5
691.44067	77.9
692.44183	2.2
1050.51428	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03912	1.1
79.05471	0.4
79.40244	0.3
81.03428	0.4
91.05447	0.7
91.40460	0.3
92.96635	0.3
94.06548	0.4
95.04958	9.1
98.23444	0.5
102.68442	0.3
105.03379	42.3
105.04397	3.1
105.07013	1.1
108.08143	0.4
110.06026	0.6
111.06504	0.3
117.07015	0.3
121.06567	0.3
122.05967	0.3
124.07598	0.6
129.06961	0.5
131.08583	0.5
132.08099	0.4
133.06544	0.4
143.08633	0.5
144.08011	0.4
145.06465	0.7
148.07452	0.3
155.08551	0.6
157.06471	0.4
157.08853	1.7
158.09631	0.5
160.07559	1.2
172.07561	1.9
173.08331	3.0
174.09152	1.3
178.07730	0.6
179.08588	0.6
181.10066	0.6
192.09264	0.6
193.10112	0.8
195.11699	0.4
198.09172	1.1
200.10619	0.3
202.08569	0.3
203.08569	0.6
204.09309	0.6
205.10153	0.8
206.10909	0.7
207.11765	0.7
210.65256	0.4
212.10736	0.4
214.08693	0.4
216.09337	0.5
217.10089	0.6
217.15666	0.3
218.11060	0.3
219.11726	1.4
221.13306	0.7
231.11685	0.5
233.09772	0.4
235.11279	0.9
236.10716	0.3
237.12906	0.3
246.12801	0.7
247.11224	0.5
249.12743	0.7
253.54442	0.3
259.11212	0.5
260.10397	0.4
262.12292	0.4
262.15912	1.1
264.13867	0.4
272.14362	1.2
274.12292	0.8
275.13107	0.4
276.13644	0.3
277.11810	0.3
280.16858	0.5
288.13773	2.2
290.15317	4.5
292.05875	0.4
292.13446	0.3
293.06754	0.6
300.14001	0.4
306.07547	6.5
306.14966	0.8
308.09109	0.7
308.16495	2.1
318.14786	1.8
322.07050	1.3
326.17520	0.7
336.08853	0.5
336.15839	2.2
337.09579	1.1
350.17636	0.9
352.11743	11.4
354.16934	1.2
378.16888	0.7
388.72870	0.4
396.17966	0.5
400.33261	0.3
412.18954	0.4
414.19092	1.4
458.19409	0.5
470.18884	0.4
472.21179	1.1
490.21948	0.6
500.20648	1.1
518.21124	0.6
536.22729	0.6
574.30774	0.3
578.23706	3.6
640.25275	1.1
700.27399	100.0
701.27570	1.9
721.11896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05482	60.2
81.03413	9.0
81.07044	69.9
81.07497	5.1
83.04955	9.9
83.08608	34.7
85.02903	9.1
91.03951	3.1
91.05461	63.1
93.07027	58.4
95.04957	78.1
95.08022	3.6
95.08595	35.7
97.02895	3.8
97.06525	8.4
97.10159	15.3
98.22691	5.8
99.04476	5.5
104.05845	2.9
105.04518	4.8
105.07014	48.2
107.04934	33.9
107.08585	42.1
109.06502	17.4
109.10107	15.5
111.04452	14.6
111.08057	6.9
115.05460	4.7
117.06999	24.6
118.94760	2.9
119.08564	37.3
121.06489	13.7
121.09364	3.9
121.10137	32.1
123.08044	19.4
125.09604	10.8
128.06203	5.2
129.06979	15.1
130.07800	3.7
131.08536	27.2
133.06477	5.2
133.10117	24.8
135.08037	6.3
135.11697	17.2
137.09561	5.2
143.08549	12.7
145.10109	39.9
147.08025	13.6
147.11670	17.4
149.09595	37.8
149.13229	4.0
151.11171	3.2
153.09093	5.4
155.08580	3.6
157.10130	10.3
159.08063	5.0
159.11674	18.2
161.09604	10.6
161.13248	5.2
163.11140	41.9
163.12422	3.3
165.12721	3.1
169.10081	3.4
170.03487	3.1
171.11684	9.7
173.09525	5.4
173.13231	3.2
175.11142	6.1
175.14771	2.8
177.12750	7.3
181.09961	3.1
183.11719	3.9
185.13200	5.0
187.11160	5.6
189.11194	10.7
195.11702	3.0
205.12245	7.8
223.13283	43.2
227.12804	4.9
229.19543	5.7
237.16354	2.7
239.17920	3.3
245.18834	3.2
247.20287	2.7
255.17476	7.0
257.19049	8.8
273.18481	27.5
275.20032	70.8
290.53384	3.0
291.19467	42.4
293.21066	46.8
309.16022	7.3
311.22321	3.4
344.17331	2.6
347.22174	19.4
349.23703	46.5
365.23398	6.1
367.24753	84.0
383.19763	49.3
401.20834	72.8
621.41101	10.2
639.33740	3.1
639.42529	32.0
657.39813	24.2
675.40143	95.4
676.40100	3.1
693.41193	100.0
944.71991	2.8
952.23798	3.0
1052.56067	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	1053.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02922	1.5
79.05476	1.7
81.03401	0.8
81.07058	1.5
83.04962	0.5
83.08637	0.7
85.02888	2.5
85.70811	0.3
91.03966	1.2
91.05497	0.9
93.07055	1.0
95.04969	0.7
95.08601	0.8
97.02877	2.8
97.10184	0.8
99.57745	0.3
101.02396	0.9
101.03391	0.3
103.03949	0.4
105.07009	0.9
107.04932	0.6
107.08574	0.6
109.02905	1.0
111.04427	0.5
119.08608	0.7
121.10126	0.3
123.08082	0.7
125.09667	0.9
127.03905	0.7
130.22505	0.3
133.10143	0.6
135.08057	0.4
135.11676	0.6
145.10132	0.6
145.76625	0.3
147.08066	0.4
161.09644	0.5
163.11337	0.5
185.04276	1.2
194.12607	0.4
201.03745	0.9
203.05342	0.6
243.08388	2.1
259.07904	0.4
259.64828	0.3
301.08981	0.7
313.08627	0.4
347.09549	2.9
347.18094	0.7
349.19882	1.2
363.09039	1.3
365.10623	1.1
369.15552	0.4
383.16895	0.5
405.13608	6.8
405.22162	0.4
463.14047	0.5
467.18698	0.6
475.14673	0.4
477.15979	0.6
489.21280	1.0
497.19885	1.0
531.20868	1.0
537.96649	0.3
545.21979	0.8
565.25891	3.5
567.27637	4.4
613.24609	0.6
629.24579	0.4
659.25366	0.4
727.31415	2.8
729.32727	4.3
775.39807	0.4
799.33667	0.4
955.46527	0.5
962.83282	0.4
1053.52222	100.0
1054.52759	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	1055.5384
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02902	1.8
79.05502	1.6
81.03399	0.7
81.07053	1.0
83.04996	0.4
83.08613	0.7
85.02894	3.4
91.03978	1.5
91.05489	0.8
93.07069	1.1
95.04988	1.1
95.08585	0.9
97.02876	3.5
97.06526	0.6
97.10191	0.4
99.04472	1.0
101.02342	0.8
103.03991	0.4
105.03159	0.5
105.07047	0.9
107.08588	0.9
109.02868	0.7
109.10140	0.5
111.04428	0.7
117.05466	0.4
119.08604	0.6
121.10150	1.0
123.04238	0.4
127.03896	1.8
129.05525	0.8
133.10196	0.6
144.29538	0.4
145.04968	0.4
149.09665	0.8
155.94476	0.4
163.11150	0.9
163.29076	0.3
169.04811	0.3
177.12794	0.4
181.12285	0.4
185.04279	1.6
201.03773	1.2
203.05345	1.4
227.05298	0.4
243.08429	1.8
257.06436	0.7
259.07950	0.7
275.07480	0.4
275.20166	0.9
277.23560	0.4
299.07422	0.7
301.08801	3.3
315.10724	0.8
319.10153	0.7
329.08374	0.8
333.20358	3.4
341.12186	0.5
343.10184	0.6
347.09424	8.7
351.20358	0.4
355.13910	0.6
359.09769	0.7
359.21902	0.6
363.08871	4.9
365.10660	1.4
373.23514	0.7
383.16989	0.6
385.18307	1.8
389.23026	1.0
403.12302	0.7
405.13602	5.6
413.17996	0.5
421.13129	0.6
425.17914	0.4
431.24249	1.8
443.18802	0.6
445.25821	0.7
449.24634	0.4
463.14139	9.3
463.20120	0.6
473.20346	0.4
475.13995	0.5
477.16061	2.3
477.24356	0.5
481.20471	0.8
485.19870	0.5
489.15845	0.7
503.17767	1.1
505.18796	0.7
515.33276	2.1
517.18451	0.7
519.20685	0.6
535.16602	1.4
541.22449	0.7
545.22455	0.9
547.23608	5.3
549.18024	0.6
551.28333	5.6
561.33929	0.5
567.27509	0.5
577.24597	0.8
579.28241	0.5
587.22974	0.9
601.25049	0.6
605.24249	1.3
609.28741	2.1
611.30951	0.8
619.25781	1.1
623.30609	0.9
639.29883	1.1
643.25806	1.3
647.25165	3.8
659.25549	0.4
661.25928	2.0
665.35730	0.7
689.33618	0.4
693.38043	0.8
695.40259	0.6
703.27899	3.3
713.33344	11.2
723.39410	0.8
727.31177	0.5
729.31030	1.5
731.34082	2.1
741.32605	0.5
745.35022	1.1
755.34967	0.7
772.35205	1.6
785.35834	3.8
787.36829	2.4
799.36487	1.9
813.39105	2.5
827.40436	1.4
839.44183	0.4
855.43433	1.6
856.43756	0.9
873.44354	0.6
897.44470	4.6
939.45331	0.5
969.46362	1.8
1037.52527	3.0
1038.51733	0.5
1055.53821	100.0
1056.53491	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	1055.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02909	1.3
79.05496	1.8
81.03399	0.9
81.07049	2.1
83.04980	0.6
83.08630	0.6
85.02893	2.4
85.06525	0.3
91.03946	1.4
91.05466	1.3
93.07043	1.0
95.04986	0.9
95.08623	0.9
97.02878	2.4
97.06506	0.4
97.10187	1.0
101.02383	0.9
105.07045	0.9
107.04974	0.4
107.08627	0.7
109.02887	0.5
109.10155	0.6
111.04427	0.5
117.07021	0.5
119.08603	0.5
121.10146	0.4
123.08089	0.7
125.09618	0.6
127.03908	0.8
129.05505	0.2
130.85422	0.3
131.08571	0.4
133.10126	0.4
135.11705	0.4
137.09717	0.3
145.04944	0.3
145.10202	0.5
147.08078	0.4
147.11766	0.3
152.03410	0.2
157.04779	0.3
163.11194	0.4
172.52487	0.2
185.04207	0.6
189.11220	0.4
201.03592	0.5
203.05328	0.9
239.11438	0.4
239.92386	0.2
243.08318	1.8
259.07962	0.4
291.19647	0.4
301.09131	0.4
333.15262	0.2
345.19159	0.3
347.09418	2.6
349.19748	2.0
357.15350	0.3
363.08926	1.2
365.10541	0.6
369.15164	0.4
385.18509	0.3
405.13654	5.7
405.21817	1.1
447.23859	0.4
451.19147	0.4
463.14474	0.8
475.14609	0.5
477.16345	0.5
497.19589	0.5
512.79419	0.3
533.21991	0.3
545.22968	0.4
567.27649	8.1
613.24799	1.1
639.30121	0.5
659.25720	0.5
709.37579	0.4
719.27631	0.3
729.32880	6.6
777.40283	0.3
801.34875	0.7
815.36945	0.3
893.48358	0.6
939.45923	0.7
1055.53784	100.0
1056.53625	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	1058.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05480	5.1
81.03416	1.4
81.06563	0.6
81.07044	11.5
83.04962	9.1
83.08609	4.5
85.02396	1.0
85.02888	15.7
85.06516	2.7
85.06985	0.6
87.04451	1.6
91.05451	5.2
93.07036	7.4
93.34354	0.6
95.04943	9.0
95.08590	6.1
97.02877	12.6
97.06524	5.6
97.10139	1.1
98.22600	1.0
99.04446	2.9
105.07018	7.1
107.08575	15.2
109.02849	1.4
109.06503	13.2
109.09409	1.2
109.10139	22.7
111.08042	2.8
113.06015	1.1
113.09657	1.1
115.03888	6.5
115.04612	0.8
115.07539	4.4
117.07013	1.6
119.08543	5.3
121.06485	1.2
121.10125	13.9
123.08060	3.7
123.11669	5.7
125.09616	4.2
125.13333	0.8
127.03898	5.2
131.04909	0.6
131.08548	6.6
133.04944	4.9
133.10106	25.7
135.08032	4.1
135.11679	3.0
137.05981	1.7
137.09576	0.8
137.13203	1.1
139.11163	2.3
145.04973	6.3
145.10136	3.4
147.11673	6.8
149.09602	2.6
149.13219	6.8
151.11153	11.7
153.09079	8.0
158.10887	2.1
163.05994	3.7
163.14804	6.6
165.12689	3.9
167.14299	12.4
171.10184	1.2
173.13235	18.8
175.14816	3.9
177.05490	1.1
181.12230	0.9
181.15814	1.7
187.07530	1.1
191.14272	27.8
193.15761	0.8
203.00688	0.6
207.13754	1.1
209.15335	100.0
210.15675	0.8
223.06044	1.4
225.14969	0.7
227.16376	28.8
241.07103	1.5
259.08063	6.0
277.09137	1.7
295.10135	5.5
305.17554	0.9
323.18466	2.1
341.13757	1.0
341.15649	0.6
341.19571	6.6
353.19571	0.9
359.20392	0.7
371.20639	3.7
405.20615	0.7
422.70370	0.7
448.89221	0.6
502.22595	0.6
503.24786	1.2
538.28381	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	1064.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03912	1.2
79.05482	47.9
80.06264	1.0
81.03414	11.6
81.07044	62.8
82.69022	0.7
83.01327	1.1
83.04970	15.8
83.08614	16.3
85.02879	7.0
85.06526	2.8
90.60266	0.8
91.03915	2.4
91.05468	45.9
93.03339	1.1
93.07031	36.3
94.04173	1.3
95.01348	1.4
95.04955	29.5
95.08591	21.9
96.05719	1.0
97.02889	14.9
97.06516	15.1
97.10155	17.2
98.22607	1.9
99.00782	2.5
99.04432	3.2
99.08081	2.2
101.06022	1.2
103.05437	2.1
105.03371	1.2
105.04488	2.8
105.07011	28.7
107.04942	17.9
107.08578	28.2
109.02866	9.5
109.06503	16.8
109.10138	27.0
111.04433	6.1
111.08061	7.4
115.03978	1.4
115.05428	6.3
116.04717	2.1
117.06996	18.2
119.04921	2.6
119.08561	29.3
121.02876	1.3
121.06484	12.7
121.10120	9.3
122.07256	1.3
123.04414	9.0
123.08045	8.0
123.11715	2.2
125.05955	1.5
125.09615	18.7
127.03861	2.0
127.07518	1.0
128.06213	2.5
129.05476	11.2
129.06976	7.6
131.04913	1.4
131.08563	13.2
133.06493	5.9
133.10112	20.8
135.04402	2.6
135.07031	1.6
135.08041	24.4
135.11652	10.0
137.05980	2.6
137.09596	17.1
138.10408	1.1
139.07520	2.7
141.06963	2.7
143.07028	3.6
143.08524	7.2
143.10655	1.0
145.04811	1.0
145.06467	7.8
145.10118	15.7
147.08011	9.2
147.11674	8.2
149.06027	1.0
149.09564	6.2
149.13248	2.1
151.07567	2.8
151.11151	4.9
153.09074	8.2
153.12654	4.2
155.08566	3.8
155.10652	2.9
157.06503	1.6
157.08592	5.5
157.10120	6.6
159.08037	10.0
159.11656	5.4
161.05957	1.0
161.09581	15.2
161.10823	1.3
161.13242	1.7
163.06187	1.5
163.07515	9.2
163.11148	10.6
165.09074	4.4
165.12741	1.7
167.08571	0.9
169.10095	2.5
171.06549	1.9
171.07982	2.0
171.10130	3.7
171.11668	3.4
173.09601	5.5
173.11850	5.9
173.13162	1.4
175.11182	5.4
177.09106	3.1
177.12674	2.3
179.10669	4.9
181.12181	3.5
183.11685	2.4
185.09659	1.7
185.13213	2.1
187.11203	2.1
189.09093	2.8
189.11194	8.9
189.12723	2.3
191.10631	4.1
193.12210	29.9
197.09677	0.9
197.13300	1.1
199.11220	1.6
199.13300	3.2
201.12686	1.4
203.14258	1.2
205.12250	1.0
207.10187	1.2
209.11649	2.0
211.11011	0.8
211.13278	2.4
219.13699	1.7
221.11691	5.6
223.13274	1.4
225.11134	2.0
225.16289	1.3
227.12727	11.2
227.17944	1.0
228.88896	1.0
229.14304	11.1
233.11536	0.9
235.13211	1.6
239.12677	4.3
243.17465	3.6
245.19041	2.1
249.14696	1.2
249.50523	0.9
255.17609	0.9
261.18515	4.5
263.12717	0.8
265.14417	1.4
267.15897	2.1
271.16977	9.4
273.18414	17.3
279.19403	1.0
283.15543	2.1
289.17957	36.3
290.18591	1.4
291.19553	10.9
295.15417	2.2
305.17184	1.3
307.18945	10.3
313.16443	2.3
345.20602	1.2
347.22137	8.2
363.17368	1.6
363.21634	15.4
365.23160	15.0
381.22668	74.4
382.23526	1.0
399.23727	35.8
421.25598	1.2
435.23993	1.3
437.25198	1.1
443.28125	1.0
517.31604	5.9
523.32227	1.8
535.32587	29.0
536.33514	0.9
551.31976	1.1
555.33063	2.2
557.34271	3.3
573.34363	4.3
575.35468	3.8
579.36890	1.3
583.33917	0.9
597.37439	0.9
601.33539	3.9
607.33887	1.0
615.39075	1.2
619.34357	3.6
635.38824	3.3
651.39435	1.1
653.30060	1.2
653.40326	13.3
653.87946	0.9
669.40002	4.2
671.41388	40.2
687.40845	9.9
705.41949	100.0
706.41467	1.6
898.36652	1.1
1064.54907	1.6
1091.52734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
75.15715	2.4
77.03894	2.1
78.63100	2.3
79.05482	51.8
81.03404	13.6
81.07046	76.4
83.04981	12.5
83.08601	19.0
85.02904	7.2
85.06525	2.6
91.03916	2.5
91.05467	42.4
93.07037	43.2
95.04948	28.4
95.08581	20.8
97.02887	4.1
97.06521	10.1
97.10143	26.4
97.20724	2.1
99.04404	3.4
99.08095	3.2
105.04498	3.8
105.07008	32.7
107.04945	15.7
107.08581	34.4
109.02892	2.3
109.06501	13.1
109.10146	14.8
111.04424	12.1
111.08062	7.4
115.05418	4.8
117.07006	22.8
119.08562	27.0
121.06525	13.1
121.10114	12.5
123.04443	2.4
123.08056	18.9
125.09622	21.8
128.06178	4.1
129.07004	9.1
129.74219	2.1
130.98958	3.2
131.08549	20.3
133.06462	6.2
133.10141	19.3
135.08026	21.9
135.11662	9.2
137.09583	11.3
141.06941	2.8
143.08539	7.7
145.06491	5.2
145.10104	18.2
147.08037	13.4
147.11659	5.7
149.09575	11.1
149.13310	2.7
153.09164	4.4
153.12718	5.9
155.08490	4.4
157.10106	7.8
159.08061	4.7
159.11649	4.8
161.09631	12.1
163.07500	6.4
163.11145	19.5
165.09077	6.3
169.10109	3.4
171.05569	3.3
171.11777	3.8
173.09583	5.6
173.13232	2.8
175.11169	4.3
177.12790	2.4
179.10478	2.4
181.10159	2.4
181.12242	7.1
187.11267	3.8
189.11180	18.6
189.12646	3.3
191.10654	6.6
193.12231	7.1
199.05254	4.3
205.12273	3.0
221.11501	2.9
223.13217	5.3
227.12711	29.5
227.17833	3.0
245.18954	4.6
255.17442	5.4
263.19788	2.8
271.16797	3.4
273.18488	38.7
275.19980	2.7
279.15149	3.3
283.15427	6.3
289.17917	11.8
291.19495	100.0
292.19623	2.4
309.20590	15.8
347.22079	18.6
365.23166	63.1
366.23477	3.1
381.22760	5.4
383.24222	26.3
399.19269	97.4
569.28284	3.0
625.31329	3.6
630.01007	2.1
635.38727	4.9
653.39941	8.2
671.37207	15.6
689.38019	99.8
690.37750	5.5
707.39038	80.1
1066.54639	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	1066.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03910	1.0
79.05486	43.8
81.03415	10.4
81.07049	55.6
83.04968	8.0
83.08618	11.0
85.02896	8.0
85.06544	1.1
87.04475	0.8
89.01560	1.0
91.03945	3.1
91.05471	40.3
93.07032	32.7
95.01340	0.9
95.04958	22.3
95.08595	14.4
97.02892	5.3
97.06513	6.0
97.10159	14.7
98.23521	1.3
99.00822	2.3
99.04441	3.3
99.08057	1.8
103.05490	1.7
105.03345	1.0
105.04505	3.2
105.07021	28.2
105.07729	1.6
107.04945	18.7
107.08584	24.4
107.74086	0.8
109.02865	5.0
109.06509	13.6
109.10146	7.6
109.99865	0.8
111.04425	6.1
111.08067	4.7
115.03889	0.7
115.05440	4.1
116.06154	0.9
117.01045	1.5
117.07005	17.5
119.04944	1.2
119.08563	31.8
121.06493	12.3
121.10139	11.4
123.04404	3.1
123.08061	14.4
123.11676	1.1
125.05955	1.4
125.09604	11.0
127.03923	1.8
128.06200	4.5
129.01022	1.5
129.06992	10.0
130.07751	1.0
131.04924	1.7
131.08560	14.6
132.05704	0.9
133.00517	1.2
133.06480	4.7
133.10118	19.1
135.04420	1.2
135.08041	16.2
135.11682	7.1
137.09579	5.6
139.07462	2.3
141.06989	2.5
142.07800	2.6
143.08543	9.8
145.00552	0.9
145.05080	1.0
145.06467	5.5
145.10104	16.4
146.72202	0.8
147.08037	10.3
147.11670	6.3
149.09625	11.5
151.11168	2.9
153.07014	1.1
153.09114	3.6
153.12697	2.5
155.08539	3.4
157.06544	1.9
157.10123	8.2
159.08038	5.9
159.11684	5.4
161.08388	1.0
161.09619	13.5
161.13203	1.3
163.06108	1.8
163.07529	6.6
163.11148	9.2
165.09084	1.9
165.12770	1.1
169.10100	2.8
171.08046	1.9
171.10262	1.4
171.11621	5.5
173.09573	4.2
173.13257	1.6
175.11201	5.1
177.09073	1.9
177.12721	1.6
179.10672	2.4
181.10083	1.9
181.12260	0.9
181.74864	1.0
183.11717	1.1
185.09592	2.1
185.13255	3.1
187.11179	2.4
189.09192	2.1
189.11174	6.3
189.12749	2.0
191.10658	2.2
193.12213	18.1
195.11687	1.8
197.07230	4.4
199.11163	2.3
201.12668	1.3
203.10738	1.3
205.12227	2.1
209.13235	1.2
213.12691	1.9
223.13257	1.6
225.11053	1.3
227.12727	4.7
227.17924	1.6
237.16365	2.0
243.17451	2.4
245.18959	2.1
249.14766	1.5
255.17424	3.2
261.18524	3.4
267.15701	1.2
271.16949	4.4
273.18478	27.7
281.16882	1.2
283.15369	2.3
289.17953	20.5
291.19516	30.2
307.19067	5.0
309.16092	4.9
327.17017	2.4
329.21045	1.3
345.20642	1.0
347.22107	9.1
363.21603	12.2
365.22952	2.0
381.22681	100.0
383.19806	29.4
401.20840	49.4
401.28677	1.2
497.26367	2.2
555.32819	3.3
561.35150	1.5
573.34039	5.2
593.31732	1.8
597.37469	1.9
635.39386	7.0
653.40472	15.3
671.41931	13.7
689.38019	56.1
707.39087	80.8
708.38812	2.0
1066.61426	1.0
1071.09534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03920	1.8
79.05479	62.3
81.03411	17.4
81.07043	100.0
83.04971	16.4
83.08602	21.2
85.02902	6.9
85.06535	4.0
87.73658	1.9
91.03944	2.7
91.05464	52.2
92.06242	1.8
93.07030	48.2
93.07597	3.4
95.04951	37.0
95.08587	28.4
97.02885	12.3
97.06512	14.3
97.10157	26.6
99.04444	1.9
99.08080	3.3
103.05471	3.3
105.04518	3.0
105.07012	41.4
105.07729	2.5
107.04929	22.6
107.08572	36.4
109.02879	2.3
109.06508	21.7
109.10133	34.8
111.02498	1.6
111.04420	12.6
111.08086	12.8
115.05439	5.6
115.07568	2.0
116.04707	3.7
117.07001	20.6
119.04952	2.5
119.08562	36.0
121.06481	16.5
121.10110	17.6
123.04424	6.9
123.08040	28.8
125.09610	30.2
128.06154	2.8
129.05447	11.8
129.06941	12.0
131.08549	22.8
133.06422	9.0
133.10118	14.6
135.08011	21.4
135.11661	13.5
136.08713	1.9
137.05980	1.8
137.09592	20.6
141.06998	2.1
142.07721	2.7
143.07005	3.4
143.08517	9.0
143.10658	2.0
145.06447	4.9
145.10086	21.6
147.08008	16.2
147.11635	12.1
149.05916	3.2
149.09579	14.8
149.13292	2.3
151.07494	2.1
151.11264	3.0
153.09064	11.0
153.12740	6.2
155.08566	2.9
155.10675	3.3
157.08604	8.2
157.10123	11.2
159.08072	6.6
159.11629	8.6
161.09604	19.0
161.13214	2.5
163.11140	25.2
163.23672	1.7
165.09065	9.1
169.10121	4.3
171.10121	6.6
171.11670	5.5
173.09615	7.8
173.11723	6.6
173.13165	3.7
173.23041	1.9
175.11153	9.9
177.09079	2.1
177.12683	2.9
179.10742	2.1
181.12210	9.4
183.11626	2.2
185.09612	3.8
185.11676	1.7
185.13225	3.0
187.11185	4.0
189.11197	24.7
189.12718	3.6
191.10570	9.5
192.24013	1.9
193.12206	16.7
199.11359	2.6
199.13266	4.6
199.14906	2.2
203.10664	2.9
209.11713	3.9
213.12929	1.7
219.13823	2.8
221.11638	3.2
223.13263	7.3
226.81033	1.7
227.12727	27.6
227.14694	2.3
227.17888	2.7
229.14296	22.1
231.14030	1.9
233.15273	1.8
239.12807	4.5
245.13818	3.4
245.18916	8.1
249.15115	2.0
255.17375	6.0
263.20047	2.0
264.80096	1.7
271.16925	4.1
273.18445	57.8
283.15390	4.2
289.18051	12.4
291.16238	3.9
291.19492	78.4
307.19080	4.8
309.20685	9.2
325.20224	2.4
329.21231	3.4
347.22092	24.7
363.21613	6.5
365.23163	60.2
365.27542	3.9
381.22598	8.7
382.23434	2.1
383.24155	22.3
392.07993	2.1
399.23682	39.7
416.23941	2.1
455.26468	2.5
462.28714	2.0
491.59540	1.7
501.31903	3.0
519.33032	16.3
537.34143	4.9
557.34711	2.1
559.36145	3.3
573.33374	2.4
619.39801	2.2
637.40784	13.0
653.39948	6.2
655.41895	22.2
671.41388	11.7
673.42633	7.3
689.42444	34.1
707.43567	28.1
1066.52576	2.1
1067.45435	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
74.09135	0.7
77.03918	2.1
79.05479	53.5
79.08940	0.8
81.03407	12.7
81.07042	77.7
83.04963	12.6
83.08607	16.6
85.02882	6.8
85.06548	1.5
91.03951	1.6
91.05463	45.2
93.06432	2.0
93.07027	42.8
95.01314	0.8
95.04953	28.7
95.08591	19.9
97.02884	3.2
97.06512	7.6
97.10155	22.0
99.04434	2.5
99.08080	2.5
99.43335	0.8
103.05460	2.7
105.04520	3.1
105.07012	34.8
107.04934	19.6
107.08574	25.1
109.06499	14.5
109.10133	14.9
111.04424	13.2
111.08059	8.3
115.05443	3.5
116.06225	1.9
117.01059	1.1
117.07005	22.4
117.07796	1.6
119.04919	2.9
119.08561	35.9
121.06481	12.0
121.10123	15.9
122.81646	0.8
123.04408	1.4
123.08045	28.9
123.11684	1.3
125.09617	17.8
127.03919	1.7
128.06233	4.7
129.01009	1.0
129.06976	11.8
130.07761	2.3
131.04950	1.4
131.08549	22.6
133.00571	1.2
133.06444	6.7
133.10109	14.1
135.04379	0.8
135.08028	12.8
135.11667	12.0
137.06004	0.8
137.09605	7.8
139.11159	1.2
141.06995	3.5
142.07747	2.2
143.08542	10.4
144.06668	0.8
145.06459	3.0
145.10106	26.6
147.08037	15.8
147.11662	7.9
149.09576	15.3
149.13213	2.2
151.07449	1.0
151.11182	2.2
153.07039	0.8
153.09076	3.3
153.12697	6.8
155.08539	3.4
156.09369	0.8
157.06499	0.9
157.10101	11.1
159.08038	5.1
159.11679	8.6
161.09584	17.3
161.13251	2.2
163.11145	23.4
165.09079	4.1
165.12819	1.2
167.08563	1.9
169.10114	2.9
171.08054	1.8
171.10175	1.9
171.11688	7.0
173.09554	5.2
173.13272	2.7
175.11150	8.5
177.09213	1.0
177.12759	3.0
181.10127	2.1
181.12190	5.7
183.11726	2.9
185.09613	1.9
185.13239	5.0
187.11176	3.2
187.14812	0.9
189.11212	12.7
189.12740	3.1
191.10609	5.0
193.12173	5.9
195.11671	2.7
197.07260	3.3
197.13280	1.6
198.02980	0.9
199.11212	2.5
203.10617	0.9
203.14288	1.8
205.12276	1.7
211.14862	1.9
213.12758	1.5
213.16403	2.4
217.12263	1.3
219.13860	1.3
221.15353	0.8
223.13318	5.7
227.12720	18.5
227.18008	3.4
231.14014	1.1
231.17320	1.0
237.16408	2.1
245.18990	5.5
249.14842	3.2
255.17390	6.6
263.20071	2.4
267.15857	1.2
273.18448	60.2
274.18704	1.3
275.19928	1.2
283.15436	6.0
289.17664	1.4
291.19498	100.0
292.19785	1.8
304.97446	1.0
309.16168	6.2
309.20587	10.9
325.82620	0.8
327.17078	2.5
329.21051	2.1
347.22113	25.0
349.23618	1.6
365.23187	55.3
366.23770	1.0
383.19714	35.9
383.24298	23.4
401.20816	49.0
427.27249	1.0
450.05957	0.8
451.34570	0.8
485.85904	0.8
506.88617	0.8
513.32178	0.8
517.31396	1.1
529.35840	0.9
545.36169	1.3
553.28912	2.4
571.30560	1.5
581.38562	1.6
591.29419	1.1
609.31464	2.3
619.39636	3.8
637.40839	18.6
638.40192	0.9
655.42365	15.6
673.38379	46.9
674.38641	1.8
691.39569	57.5
692.39832	1.5
709.40649	36.4
710.41345	1.1
1068.50403	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.38663	0.4
51.02375	0.6
53.03934	1.4
55.01852	0.6
65.03932	12.7
65.04268	0.9
67.05495	3.6
69.40138	2.0
75.05975	0.4
77.03925	1.7
79.05484	44.3
80.05017	1.8
80.05811	1.2
85.06174	0.3
85.39030	0.4
91.05468	100.0
92.05796	2.5
92.06287	4.5
95.04404	0.7
95.04961	7.9
103.05452	0.5
105.04519	1.9
105.07015	27.8
106.07373	0.7
107.04240	0.9
107.04942	14.7
107.06059	0.6
107.08578	30.1
108.04459	1.2
108.08112	1.4
108.08895	1.0
109.06504	14.7
119.05263	0.8
119.06057	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	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03937	0.4
55.01849	0.2
63.02364	0.2
65.03933	12.7
66.04284	0.2
67.05499	0.9
70.33893	0.4
77.03915	0.6
79.05483	11.1
80.05001	0.4
91.05468	100.0
92.05790	2.4
92.06261	2.4
95.04958	2.1
103.05477	0.8
105.04511	0.8
105.07017	29.9
106.04185	0.2
106.07360	1.0
106.30025	0.2
107.04942	3.9
107.08577	32.7
108.04463	0.3
108.08128	0.3
108.08916	0.9
109.06500	17.9
110.06855	0.4
116.60180	0.2
119.06049	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	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03939	1.8
55.01854	0.5
55.05521	0.5
65.03931	12.6
65.89903	0.4
67.05499	4.2
69.34641	2.3
77.03927	1.1
79.05481	42.9
80.05004	2.3
80.05814	0.6
87.42274	0.5
91.05466	100.0
92.05750	2.5
92.06290	3.0
95.04955	6.5
96.04520	0.6
102.76501	0.4
103.05441	0.6
103.36825	0.5
105.04517	2.3
105.07017	27.8
106.07345	0.8
107.04937	13.1
107.08578	30.2
108.04480	1.4
108.08129	0.9
108.08900	1.4
109.06499	13.5
110.06838	0.7
119.06046	9.3
123.73662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03130	0.3
77.03933	0.3
79.05488	0.2
79.64736	0.1
81.03409	2.6
85.02906	1.1
89.03913	0.7
90.04687	0.2
91.05468	13.8
93.07080	0.1
94.04190	0.2
94.33552	0.1
95.04962	0.5
97.02885	0.5
99.04458	0.2
101.03897	0.2
103.05450	0.8
104.02551	0.2
105.03396	0.3
105.07014	0.3
107.04951	0.4
108.05730	0.3
109.02876	1.2
109.06528	0.3
117.03376	0.3
117.06974	0.2
118.04146	0.5
119.04927	22.1
121.02856	0.3
121.06486	0.3
122.03613	0.3
122.30595	0.1
127.03908	0.6
129.03404	0.3
129.04405	0.2
129.06993	0.5
131.04922	1.2
132.02069	0.9
133.02834	0.2
133.06465	0.2
135.04404	0.4
135.08035	0.2
136.05182	0.4
137.05959	4.6
138.14899	0.1
145.02846	0.5
146.03600	0.3
147.04387	19.8
149.02315	0.6
149.05977	0.7
151.04059	0.2
151.07518	4.5
157.03955	2.2
157.06488	0.6
160.01553	0.2
161.05984	1.2
163.03975	0.1
163.07524	3.0
164.04659	0.7
165.06909	0.2
165.09116	0.3
167.07079	0.3
167.08553	0.5
174.03140	0.2
174.06743	0.4
175.03883	40.0
176.04294	0.4
177.05597	0.7
177.09082	4.0
177.10513	0.3
179.07001	1.8
189.09055	1.7
192.04140	1.0
193.06584	0.2
193.10022	0.2
195.07990	1.0
207.06493	100.0
208.06873	1.1
212.08342	0.2
219.10136	0.4
221.05969	0.4
221.09563	0.5
221.11679	1.3
223.07480	0.5
225.07249	0.8
227.10666	1.6
235.07654	0.2
238.06200	0.2
238.09859	0.2
240.07829	0.3
249.09013	0.2
252.07797	0.2
253.08578	0.6
253.12184	0.7
255.10158	1.4
265.08521	0.2
267.09985	0.5
269.08286	0.1
277.08826	0.2
281.11676	0.2
285.11221	1.0
287.12732	2.2
293.11752	0.2
297.11176	0.2
299.12820	0.2
305.11691	0.2
311.12735	1.0
313.14343	1.4
321.11023	0.2
331.15344	9.5
333.11020	0.6
337.10602	0.2
337.14276	0.2
339.11725	0.5
341.13785	0.2
343.15344	2.4
351.10724	4.0
355.15475	0.8
365.13797	1.2
369.11746	13.7
370.11990	0.2
381.13342	0.3
383.14838	9.6
384.14914	0.2
385.11072	0.2
395.14783	0.3
413.15842	0.9
421.16248	0.2
425.15921	0.3
509.17856	0.2
519.19952	1.2
531.17041	0.3
537.21106	1.6
545.19861	0.5
681.25140	0.4
756.87183	0.2
843.06842	0.2
1008.62982	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.5716
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03906	4.0
79.05478	78.7
81.03411	20.0
81.07044	100.0
83.04968	23.8
83.08614	23.4
84.05722	1.8
85.02887	7.6
85.06548	4.4
87.04451	2.0
91.03926	3.0
91.05463	80.3
93.07030	63.4
94.04179	1.8
94.07832	2.0
95.01331	2.4
95.04953	53.4
95.08591	34.3
96.05749	5.1
97.02878	27.9
97.06519	21.1
97.10153	30.8
97.10735	2.7
98.22685	3.6
99.04442	4.0
99.08074	2.5
101.06004	2.5
103.05482	4.6
105.04510	5.0
105.07014	49.8
107.04930	36.6
107.08582	41.8
107.09322	2.3
108.05689	2.2
109.02861	7.3
109.06503	37.9
109.10135	62.4
110.07277	1.8
111.04431	9.6
111.08070	11.6
115.05450	9.9
116.04700	12.8
116.06271	2.3
117.07008	25.1
119.04934	2.8
119.08561	43.0
120.09357	3.1
121.02940	1.5
121.06489	18.8
121.10118	21.5
122.07275	4.2
123.04392	18.9
123.08054	18.6
123.11701	3.6
125.06004	2.5
125.09606	36.5
127.03903	2.9
127.11214	1.9
128.06201	4.7
129.05455	37.3
129.06937	12.8
130.07880	1.9
131.04893	3.2
131.08543	19.5
133.06451	12.4
133.10112	23.0
135.08028	26.7
135.11665	19.1
136.08842	2.5
137.05966	6.4
137.09586	45.5
138.10419	3.7
139.07562	3.0
139.11186	3.2
141.07001	4.3
141.09007	1.7
142.07770	3.8
143.07005	10.8
143.08559	13.2
143.10655	2.9
145.06438	8.0
145.10085	17.0
147.04655	1.6
147.08028	15.7
147.11661	12.7
149.09561	15.1
149.13248	5.6
151.03925	2.1
151.07513	5.0
151.11191	2.9
153.09094	16.2
153.12779	1.8
155.08548	3.4
155.10663	7.2
157.08594	18.3
157.10120	13.2
158.05771	2.3
158.10910	1.7
159.08014	9.6
159.11681	9.8
161.09615	19.4
161.13293	2.7
162.10468	2.0
163.06151	2.6
163.07532	5.6
163.11116	18.0
164.11873	1.9
165.09114	10.5
165.12776	5.3
167.10674	2.0
169.10106	4.4
171.06470	3.8
171.07985	2.0
171.10158	10.8
171.11653	4.8
173.09546	11.0
173.11734	15.2
173.13124	2.8
175.11140	12.3
177.09122	4.3
177.12747	7.2
179.10693	4.8
181.12248	5.8
183.08060	1.8
183.11728	1.6
185.09590	3.9
185.13208	3.5
187.11143	4.9
189.09523	2.5
189.11192	13.7
189.12755	4.8
191.10652	6.5
193.12193	23.4
195.11661	1.9
195.13783	1.7
199.09583	3.0
199.11334	2.7
199.13312	7.1
199.14902	1.7
200.13893	2.2
201.12842	2.0
203.14359	1.5
205.12306	2.6
209.11720	3.2
213.12764	2.8
215.14369	2.7
217.14262	3.9
219.13779	3.2
221.11705	11.9
221.15297	1.6
223.13225	3.3
227.12706	17.8
227.14687	1.9
227.17921	3.5
229.14285	32.0
229.16319	2.7
233.15436	2.3
239.12700	10.2
243.17587	2.3
245.19025	9.3
255.17700	3.0
261.14667	2.1
261.18552	4.4
262.19302	2.4
265.14301	1.8
267.15762	3.3
269.17249	2.7
271.16867	6.6
273.18433	44.7
275.20074	2.6
283.15344	3.4
289.17911	23.1
290.18753	3.8
291.19534	31.9
295.15311	7.8
307.18951	6.1
308.19696	1.8
309.20441	1.9
313.16373	5.3
347.22046	20.6
363.21710	10.3
364.22577	1.9
365.23184	38.0
380.01636	1.9
381.22586	13.9
383.24310	3.3
399.23721	91.2
423.27472	2.7
439.26871	2.1
467.26215	17.5
489.31961	2.2
501.32056	3.4
518.32019	2.1
519.33179	14.1
535.32300	2.5
541.35071	2.6
553.33942	8.5
557.34753	3.4
637.40430	7.4
651.35492	2.0
653.40271	2.9
655.41626	14.7
671.41388	15.2
689.42407	36.4
701.82343	2.0
705.41943	3.1
723.42963	87.8
1078.46790	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03918	4.0
79.05482	76.4
81.03403	15.1
81.07044	100.0
83.04962	21.3
83.08604	19.8
85.02886	10.6
85.06515	2.3
91.03953	2.1
91.05464	65.9
93.06436	2.8
93.07027	54.9
94.04162	1.5
95.04952	42.0
95.08595	32.7
96.05730	3.1
97.02876	11.2
97.06509	11.8
97.10155	23.0
99.04433	3.4
99.08057	3.8
103.05405	2.1
104.51041	1.5
105.03404	1.8
105.04476	4.4
105.07011	43.6
107.04935	26.8
107.08576	35.5
109.02836	1.8
109.05836	2.2
109.06498	23.6
109.10138	34.4
111.04416	10.4
111.08081	10.9
113.05978	1.6
115.05435	4.5
116.04684	7.8
116.06173	2.2
117.01019	2.1
117.07002	27.2
119.04904	2.4
119.08555	49.3
121.06487	15.4
121.10129	21.7
123.04411	5.6
123.07174	1.3
123.08044	29.7
123.11674	2.8
125.05952	1.5
125.09608	26.9
127.03881	2.4
127.11167	1.9
128.06247	6.9
129.04558	1.9
129.05473	22.6
129.06956	15.8
130.07790	2.5
131.04883	2.2
131.08543	31.3
133.06465	9.6
133.10103	17.2
135.08020	19.0
135.11668	14.4
137.05940	2.7
137.09593	17.2
138.10365	1.4
139.03114	1.9
139.11124	1.7
141.06958	2.7
141.53108	1.5
142.07779	2.8
143.07065	7.4
143.08533	13.9
143.10580	1.5
145.06456	5.7
145.10101	26.8
147.08023	19.8
147.11641	11.6
149.09598	19.5
149.13240	3.8
151.07480	1.6
151.11165	2.1
153.09053	10.7
153.12729	3.3
155.08524	6.1
155.10588	2.7
156.09291	1.7
157.06468	3.1
157.08575	10.1
157.10103	13.5
159.08037	4.4
159.11696	11.2
161.09586	21.9
161.13138	2.2
163.07535	2.7
163.11154	24.0
165.09062	8.0
165.12704	3.1
165.99271	1.4
167.10696	2.0
169.10114	4.8
171.07980	2.8
171.10159	6.7
171.11662	9.2
173.09546	6.7
173.11700	7.4
173.13214	5.2
175.11203	10.2
177.09155	2.2
177.12730	3.7
179.10614	3.0
181.10120	2.4
181.12238	4.7
183.11694	2.0
185.09625	3.1
185.11696	2.3
185.13211	4.7
187.11147	5.3
187.14824	2.6
189.09320	2.4
189.11166	15.4
189.12790	4.1
191.10632	5.9
193.12228	11.0
195.11679	3.8
197.07266	4.7
197.13220	1.8
199.11243	3.7
199.13286	6.0
200.13992	1.9
203.10587	2.3
205.12181	2.1
209.13283	2.0
211.13123	1.5
211.14896	1.9
213.12706	2.3
217.14282	2.2
219.13739	3.6
221.11713	3.9
223.13231	4.9
227.12715	19.0
227.17909	5.6
229.14262	16.5
231.17432	1.5
237.16357	3.2
239.12772	3.4
243.17422	1.8
245.18961	9.2
249.14839	2.8
255.17538	9.9
271.16769	3.3
273.18454	65.0
275.19839	1.6
283.15295	2.6
289.18030	9.7
291.19498	91.0
295.15286	1.8
307.19009	2.1
309.16092	10.2
309.20538	6.9
313.16293	2.5
325.15610	2.3
327.17053	3.1
329.21136	2.6
347.22144	25.0
363.21634	5.3
365.23178	39.9
381.22562	5.9
383.19675	25.7
383.24277	10.8
399.19260	3.2
399.23740	37.6
401.20859	38.8
417.20377	29.7
501.32086	2.0
519.33057	7.6
527.33398	1.4
537.28650	7.7
555.30695	17.9
577.32068	2.7
595.33582	3.9
621.30981	1.8
637.41241	7.3
639.33527	3.0
653.40778	2.0
655.41266	6.0
671.41736	8.2
673.38623	20.1
689.39789	4.8
691.39465	16.5
707.39087	33.5
708.39026	1.7
725.40131	74.3
1084.52307	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	5.2
55.01862	1.2
55.05506	10.9
55.05777	0.6
65.03933	4.8
66.04744	0.7
67.05497	100.0
67.54369	0.5
68.05818	1.9
69.07059	6.6
69.23141	1.6
69.23550	0.6
79.05482	24.1
80.05807	0.5
80.06254	1.3
81.03410	4.6
81.07048	41.4
82.06610	0.4
82.07382	0.5
82.11069	0.3
91.05462	3.4
94.04160	1.7
94.07814	1.4
95.04939	1.1
98.22676	0.8
105.05513	0.3
105.07007	0.8
107.04919	0.7
107.08584	3.8
109.02854	2.1
109.06506	23.8
109.10144	45.7
110.06012	1.2
110.06782	0.6
110.10455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01870	0.8
55.05503	11.2
57.31393	0.3
65.03938	4.6
67.05495	100.0
68.05820	1.6
69.07056	6.2
69.07397	0.6
69.32652	1.9
72.09916	0.3
72.73920	0.3
79.05484	11.3
80.06259	1.3
81.03403	6.7
81.07047	32.9
82.07375	0.5
84.90730	0.3
88.38819	0.4
90.57478	0.3
91.05473	2.1
91.66138	0.3
94.04179	1.0
94.07816	1.4
95.04977	0.7
98.22670	0.8
105.07005	0.5
107.04977	0.5
107.08585	3.2
109.02850	2.3
109.05753	0.5
109.06501	9.6
109.10143	43.1
110.06034	0.8
110.06830	0.4
110.10484	1.2
119.06126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1130.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
83.70796	0.2
117.78311	0.2
391.13596	0.3
392.14603	100.0
393.14841	1.9
410.15683	24.2
411.15897	0.4
433.17285	4.1
434.17572	0.2
578.93573	0.2
589.29877	0.2
761.29028	0.3
776.11743	0.2
1142.52820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0392
Annotation	Siphonodin
Peak:m/z	Relative Intensity
55.01866	4.4
55.05507	3.6
57.03437	13.9
59.04999	4.1
69.03423	100.0
69.07058	41.6
69.33421	3.5
69.33813	5.3
70.06590	24.7
70.07398	2.2
71.01351	9.3
72.08963	2.0
72.93755	2.0
73.02914	2.6
73.06563	8.5
73.93815	2.3
74.93138	5.3
74.93827	10.4
79.05477	2.2
80.33679	1.7
85.02899	67.0
87.04470	2.9
92.62182	1.9
92.94859	3.8
97.02882	94.5
97.06517	6.7
98.22771	3.5
115.03925	4.8
115.07597	3.2
115.08749	2.8
115.09505	9.5
116.07052	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	116.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97169	2.3
56.96562	47.9
58.95411	8.8
60.40445	1.9
69.98363	6.8
74.93141	3.3
76.92862	21.0
81.53112	2.0
96.65999	1.9
98.97575	100.0
102.51183	2.6
106.15100	2.1
116.98608	57.4
117.99073	5.1
129.67593	2.0
134.99672	18.9
136.00066	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01587	1.4
51.02376	4.1
53.03944	20.3
58.06588	9.2
59.07386	4.8
72.08148	4.5
77.03912	11.0
79.05482	1.3
81.03417	1.7
85.49057	0.8
91.05467	23.3
93.07050	1.2
95.04956	100.0
96.05296	1.9
101.39621	0.9
103.05456	1.9
104.06231	2.1
105.04500	39.4
106.04861	0.9
115.05496	0.9
116.05765	4.1
117.07010	4.0
118.06534	62.0
118.07315	4.7
118.08632	14.1
118.09451	1.0
118.12303	2.0
119.06089	1.6
119.06882	1.9
119.08560	11.6
138.22374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	Betaine
Peak:m/z	Relative Intensity
53.03938	0.3
55.05501	4.6
56.05030	0.4
56.96560	1.5
57.05809	0.5
58.06591	36.0
59.04987	0.5
59.07373	35.0
60.07723	0.3
65.03916	0.4
69.75883	0.9
72.08144	20.9
73.08501	0.3
76.07624	0.4
91.05470	7.3
95.04942	1.2
98.23524	0.3
98.97568	0.4
101.06026	0.3
102.05512	0.3
105.04513	0.5
110.97540	0.2
111.12777	0.3
112.60381	0.2
115.52016	0.3
118.06597	2.8
118.08635	100.0
119.01847	0.3
119.04964	0.5
119.08371	0.2
119.08990	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	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.19109	0.6
53.92464	0.5
57.07068	0.9
65.03932	16.5
79.05492	1.7
86.07118	0.5
91.05468	100.0
92.05787	2.5
93.07024	1.2
95.04954	2.2
103.05437	3.2
104.06235	2.8
105.04483	0.6
108.92046	0.5
112.55837	0.5
115.05444	1.4
117.06994	5.2
119.04926	27.3
119.08556	21.6
120.04441	0.9
120.05243	1.0
120.08096	0.8
120.08878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
58.57448	0.7
59.00170	0.6
60.86776	0.7
65.03931	3.0
69.87684	0.7
77.03932	1.8
78.04686	0.7
79.05484	7.2
81.24835	0.7
91.05466	100.0
92.05805	3.3
93.07021	5.1
95.04958	4.4
102.04625	1.0
103.05447	11.6
104.06243	13.1
105.04490	2.5
109.06493	1.3
115.05429	6.2
117.07003	28.9
118.07346	1.7
119.08562	99.6
120.08884	3.9
121.06488	0.8
131.06032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	0.7
54.01983	0.5
54.04277	0.6
65.03931	4.4
69.10216	3.1
69.10620	1.1
71.01504	0.6
77.03929	1.5
78.04691	1.8
79.05488	6.7
86.10563	0.7
91.05467	86.6
92.05816	2.1
93.07042	5.3
95.04957	5.9
96.05293	1.3
102.04682	0.9
103.05457	12.2
104.05579	0.8
104.06242	12.9
105.04527	2.9
106.04850	0.8
109.06503	1.5
115.05457	6.4
117.07008	22.8
118.07351	1.1
119.04909	1.4
119.06129	1.6
119.08564	100.0
120.08127	1.2
120.08893	4.0
120.11661	0.6
121.06491	1.3
131.06068	1.0
132.94476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03931	1.4
65.03928	3.3
67.20824	0.5
71.52606	0.4
76.11347	0.4
77.03930	1.4
78.04699	0.8
79.05485	9.0
91.05471	90.0
92.05799	3.4
93.07042	6.2
95.04967	5.0
96.05305	0.7
98.23429	1.1
102.04630	0.5
103.05453	12.3
103.06094	0.9
104.06247	12.1
105.04492	2.4
105.07116	0.5
109.06520	1.0
111.70153	0.4
115.05447	5.8
117.07010	28.5
118.07349	1.4
119.08568	100.0
120.08874	3.9
121.06490	0.5
131.06090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03942	1.5
53.04163	0.7
65.03927	5.1
69.11323	1.6
69.11720	2.8
75.82913	0.6
77.03943	1.4
78.04693	1.0
79.05485	7.4
91.05466	100.0
92.05798	3.0
93.07025	6.3
95.04956	5.9
98.23435	1.3
103.05454	12.4
104.06236	12.5
105.04498	1.9
109.06506	1.5
115.05434	5.9
117.06162	1.6
117.06995	27.9
118.07343	0.8
119.04894	2.4
119.08559	90.4
120.05525	1.1
120.08087	1.1
120.08884	3.6
131.06046	1.2
135.69044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03928	1.1
58.57448	0.7
59.00170	0.6
60.86776	0.7
65.03931	3.0
69.87684	0.7
77.03932	1.8
78.04686	0.7
79.05484	7.2
81.24835	0.7
91.05466	100.0
92.05805	3.3
93.07021	5.1
95.04958	4.4
102.04625	1.0
103.05447	11.6
104.06243	13.1
105.04490	2.5
109.06493	1.3
115.05429	6.2
117.07003	28.9
118.07346	1.7
119.08562	99.6
120.08884	3.9
121.06488	0.8
131.06032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92364	0.4
51.02360	0.7
52.67237	0.5
53.03948	1.2
61.57439	0.5
65.03936	4.0
77.03915	1.7
78.04710	1.4
79.05482	7.7
91.05469	100.0
92.05809	2.9
93.07025	6.5
95.04964	5.9
103.05457	14.2
104.04456	0.5
104.06245	12.6
105.04479	1.8
105.06584	0.6
109.06498	1.5
115.05435	6.5
117.07008	36.9
118.07322	1.3
119.06065	2.7
119.08564	79.6
120.04482	1.1
120.05599	1.1
120.08114	0.9
120.08905	3.6
121.06509	0.8
128.50751	0.5
131.06067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
59.05000	0.4
69.32125	0.6
69.32536	1.5
73.95596	0.3
77.03913	2.9
79.05485	0.8
80.04996	0.5
86.69651	0.4
91.05473	12.2
92.05797	0.6
93.07033	16.2
94.06551	0.6
94.07343	0.5
95.04961	8.2
102.04682	1.1
103.05456	90.5
104.05801	2.5
105.04509	3.7
112.49449	0.5
118.06540	1.9
119.07324	0.9
120.08090	100.0
120.92753	0.4
121.06493	3.8
121.08416	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01593	0.8
51.02377	2.6
53.03941	8.1
55.01863	2.8
56.96552	1.6
58.34764	0.3
65.03927	1.9
67.05488	0.3
70.38580	0.6
77.03918	17.7
78.04259	0.5
78.04706	0.7
79.05473	0.7
81.03419	1.4
86.80414	0.3
91.05468	75.0
92.05788	2.3
93.07030	64.6
94.04174	0.7
94.07362	2.3
95.04954	57.2
96.05300	1.5
98.97571	1.2
102.04673	2.0
103.05453	100.0
104.05790	4.0
105.04501	24.8
106.04831	0.7
119.04876	0.5
121.06487	98.2
122.06817	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	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.3
53.03938	11.2
55.01861	2.4
65.03941	1.6
69.43147	2.8
74.99189	0.6
77.03915	18.7
78.04238	0.7
78.04679	1.1
79.05466	1.2
81.03411	0.8
91.05469	70.4
92.05789	1.7
93.07033	61.5
94.04176	0.8
94.07362	2.2
95.04955	58.7
96.05278	1.8
96.61484	0.6
102.04652	1.7
103.05453	100.0
104.05800	3.4
105.03791	1.1
105.04501	21.7
119.04928	0.8
119.41969	0.7
121.06490	89.4
122.06832	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02374	2.6
53.03939	12.2
55.01851	2.9
65.03916	2.8
67.05475	1.2
69.14571	5.3
77.03915	15.8
78.04269	1.2
79.05470	5.7
81.03407	1.5
83.36604	0.7
83.78291	0.8
84.93858	0.8
91.05466	81.2
92.05804	2.6
93.07030	69.4
94.07368	2.5
95.04955	64.2
96.05284	1.6
98.22715	2.0
102.04705	1.0
103.05453	100.0
104.05786	4.4
105.04498	23.7
105.05178	1.3
105.07009	3.5
107.07337	1.8
121.06487	93.8
121.10117	1.9
122.06812	3.6
122.09654	1.5
123.28102	0.7
131.15041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02380	1.1
52.24167	1.2
53.03937	3.6
55.05492	2.8
57.54107	0.9
65.03922	2.0
65.90231	1.0
67.05495	1.1
69.71384	3.8
77.03903	5.5
78.28668	0.9
79.05483	49.3
80.05798	1.6
81.07059	1.6
88.45710	1.0
91.05469	29.9
93.07036	47.5
94.07372	1.1
95.04955	19.9
95.05522	1.5
98.23383	1.2
103.05464	20.6
105.04539	7.3
105.07018	100.0
106.07881	7.1
107.04954	9.9
107.07365	1.0
117.80241	0.9
119.08567	14.9
121.06509	11.5
121.10130	59.6
122.07262	2.4
122.09656	1.7
122.10469	2.4
123.08047	14.3
127.27448	1.0
133.07588	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03933	5.8
55.05502	6.6
65.03931	5.3
67.05478	2.6
69.78127	1.9
69.78465	3.9
77.03912	6.5
79.05480	56.1
79.05946	2.9
80.06260	1.8
81.07035	5.3
91.05471	55.4
93.07032	100.0
94.07375	2.7
95.04953	27.8
103.05456	16.8
103.29745	1.4
105.04505	11.7
105.07012	64.2
106.07815	5.5
107.07349	5.1
111.04412	1.5
119.08564	11.0
121.02838	4.4
121.03931	1.9
121.06504	5.7
121.09261	2.4
121.10133	49.1
122.09653	6.3
122.10439	1.8
123.08067	6.5
133.07602	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	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01846	1.2
55.05299	0.9
55.05507	10.0
65.03955	5.2
67.05492	2.6
69.78210	3.8
77.03912	6.3
79.05482	52.2
80.06270	1.8
81.07047	4.3
91.05469	52.8
92.05775	1.7
93.07032	100.0
94.07366	3.1
95.04957	26.8
98.22747	1.3
103.05455	15.3
105.04512	9.2
105.07016	61.9
106.07851	7.4
107.07324	3.5
111.04409	1.2
119.08588	9.0
121.02837	3.3
121.03989	2.5
121.06488	4.2
121.09252	2.2
121.10126	42.8
122.09645	5.1
122.10455	2.1
123.08035	7.2
133.07607	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	121.1012
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02364	0.8
52.77799	0.5
53.03939	4.1
55.01868	0.8
55.05497	2.2
57.61432	0.5
62.54576	0.4
63.67965	0.4
65.03925	2.1
67.05471	1.5
71.24390	0.7
77.03919	4.7
78.04674	0.6
79.05478	43.0
81.07043	1.9
90.69520	0.4
91.05466	24.1
91.60461	0.5
92.05793	0.7
93.07028	34.2
95.04956	17.7
103.05451	21.7
105.04512	8.4
105.07011	100.0
106.07215	1.2
106.07877	6.0
107.07319	4.2
119.08555	15.4
121.02839	1.4
121.03971	0.7
121.06492	9.5
121.10124	51.3
122.06044	0.6
122.09637	4.2
122.10475	1.7
123.08040	11.5
133.07588	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02391	1.6
53.03935	4.9
55.05494	3.4
65.03941	2.6
67.05495	2.7
69.30218	2.4
69.30616	4.4
69.73872	1.2
69.98282	1.4
77.03925	7.0
79.05485	52.9
81.07060	3.1
90.56594	1.1
91.05474	36.3
92.05759	1.9
93.07039	59.9
95.04956	23.1
103.05456	20.5
105.04534	8.6
105.07021	100.0
105.40619	1.3
106.07899	9.0
107.04920	6.0
107.07347	1.8
119.08562	13.8
121.02864	2.6
121.06491	8.0
121.10133	67.6
122.07256	1.7
122.09649	1.8
122.10472	2.1
123.08059	12.6
133.07587	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	121.1013
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	1.4
53.03936	7.9
54.90020	0.8
55.01852	1.0
55.05256	1.8
55.05507	26.3
56.99644	0.9
65.03918	3.1
67.05495	9.1
68.57365	0.9
77.03917	5.2
79.05484	98.2
80.05806	2.9
80.06239	1.8
81.07040	2.7
91.05471	33.0
93.07034	100.0
94.07355	2.3
95.04955	30.2
95.76328	0.9
103.05464	6.3
105.04506	13.0
105.07008	15.1
106.07807	1.3
107.07310	1.8
116.81808	0.9
119.08571	2.3
121.02865	1.5
121.03957	1.2
121.06490	2.8
121.10126	18.6
122.06001	2.4
122.09658	6.3
123.08049	1.5
133.07544	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
65.03934	12.9
65.48218	0.5
66.04716	74.8
67.05066	1.0
67.05487	0.8
71.19001	0.7
79.01844	0.6
79.05488	0.6
80.04996	5.0
81.07044	1.7
86.24863	0.5
93.03408	1.5
93.05766	1.1
94.04176	100.0
94.06543	1.3
95.04507	1.6
95.05023	0.8
96.04474	1.3
99.69453	0.6
105.07004	1.9
106.06487	0.5
107.07330	4.5
111.05559	0.8
112.03952	0.6
121.02872	0.8
122.03636	8.1
122.06008	5.2
122.09649	10.9
123.05531	9.7
123.08033	1.1
143.58914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01855	0.8
55.05503	8.0
56.05846	0.6
57.07066	6.1
65.03941	2.3
67.05495	31.4
68.05805	0.6
69.03443	0.6
69.07051	2.7
69.39636	1.2
69.40021	0.8
77.03922	0.6
78.03441	0.5
79.05479	18.0
80.05009	6.7
80.05803	0.9
80.06264	0.7
81.03417	0.7
81.07043	100.0
82.07377	2.9
91.05470	1.6
93.07030	5.9
94.07847	0.8
95.04955	5.8
95.06032	0.5
95.08590	31.7
96.04486	4.4
96.08141	0.6
96.08932	1.2
101.00872	1.4
103.05444	0.7
105.07012	3.3
106.06567	0.7
106.07345	0.5
107.04936	1.0
108.05724	4.7
108.07662	0.5
108.09339	1.3
111.05536	0.9
112.03928	3.4
119.01910	6.8
121.06499	0.5
121.10139	1.5
123.04474	1.7
123.05533	15.3
123.08047	33.2
123.09914	2.4
123.11684	24.9
124.03091	0.9
124.03929	10.0
124.07588	0.8
124.08410	2.0
124.12007	1.4
137.02951	2.9
140.03380	2.2
142.03551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03936	1.3
55.01858	0.5
55.05502	6.2
55.64477	0.4
57.07067	6.0
58.02515	0.4
58.41305	0.4
64.46765	0.4
65.03936	1.5
66.04645	0.5
67.05495	17.9
68.05810	0.5
69.07051	3.3
69.15866	2.4
78.03431	0.5
79.05482	17.4
80.05003	3.6
81.07043	100.0
82.07358	2.3
91.05460	0.8
93.07008	2.0
94.07795	1.5
95.04952	2.3
95.08592	16.7
95.80164	0.5
96.04468	1.4
101.00864	1.1
105.04504	0.7
105.07007	1.3
108.05728	2.2
108.07643	0.9
108.09371	1.1
112.03944	1.7
119.01911	3.4
121.06506	0.7
121.10120	1.1
123.04514	1.0
123.05524	6.6
123.08045	7.9
123.11688	23.4
124.03941	5.2
124.08408	0.5
124.12018	1.3
137.02927	1.7
140.03395	0.9
144.63330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04432	0.2
60.00636	0.3
82.01447	0.2
82.99825	2.4
98.32362	0.2
100.02474	0.6
101.00867	31.9
102.00940	1.2
118.03536	0.2
119.01903	100.0
120.01971	3.4
121.02341	0.4
124.02444	0.4
137.02937	24.7
138.03023	1.4
142.03485	3.7
142.44431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51299	0.1
60.00645	0.2
65.37383	0.1
69.82508	0.5
70.54714	0.1
70.99848	0.1
82.01440	0.3
82.30285	0.1
82.99837	2.5
83.01511	0.2
100.02480	0.7
101.00872	29.1
102.00937	1.1
102.02303	0.1
111.00407	0.1
112.36273	0.1
118.03511	0.2
119.01910	100.0
120.01994	4.1
121.02346	0.5
124.02452	0.5
137.02948	26.5
138.03020	1.2
139.03371	0.2
142.03497	4.1
143.03664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0597
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
53.03941	4.8
55.01868	6.3
55.05502	9.2
61.74396	1.3
67.05499	5.6
69.07059	12.4
69.53094	4.8
77.24623	1.3
79.05480	31.3
80.05830	1.8
81.03402	20.2
83.04967	100.0
84.05301	1.5
95.04945	8.5
97.06520	52.9
97.07560	2.0
98.84348	1.4
105.04520	4.4
107.04964	2.7
107.06102	3.1
108.04512	1.8
125.05980	8.5
125.07072	4.3
125.10755	4.1
126.05518	4.5
138.24002	1.4
144.45778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
52.70334	2.0
53.03696	3.0
53.03940	51.1
55.01865	3.6
57.03426	5.6
61.05152	1.6
61.07983	1.9
64.86600	1.7
69.03420	22.2
69.07037	1.8
71.04987	23.3
71.44284	2.7
72.05314	2.5
81.03408	77.9
81.07039	7.0
82.03732	2.7
83.01305	4.3
84.08126	4.3
85.02886	5.2
85.06508	2.3
87.77484	1.7
97.02885	8.0
99.04444	59.8
109.02865	23.4
109.06509	3.1
109.10146	2.4
114.62605	1.9
127.03905	100.0
128.04237	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	127.0389
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03937	4.0
55.01852	1.7
55.05498	0.5
55.86581	0.2
57.03424	0.6
58.06599	0.3
62.89205	0.2
67.01849	0.4
67.05496	0.7
69.03409	2.1
69.07058	0.4
69.28513	0.5
69.28915	1.1
71.01331	0.3
71.04971	1.0
79.05491	0.4
81.03402	4.3
81.07059	1.3
82.06557	0.7
83.01336	0.2
84.08118	0.7
85.06512	0.9
97.02878	2.2
99.04420	0.7
109.02856	6.0
109.06531	0.4
126.60094	0.2
127.03891	100.0
128.04239	2.9
128.06213	0.4
128.07109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
53.03943	73.2
55.01859	3.8
57.02961	1.7
57.03440	11.4
59.20303	2.1
67.05492	7.6
67.33812	1.9
68.18337	1.9
69.03421	29.7
69.07053	3.2
69.50605	2.0
71.01335	2.4
71.04627	3.8
71.04988	41.2
71.44154	2.0
76.47314	2.2
79.05478	2.1
81.03410	100.0
81.07056	4.3
82.06578	2.3
83.01323	4.9
84.08122	4.1
85.02888	6.5
85.06545	3.3
95.04947	2.2
97.02877	22.7
98.98434	2.7
99.04448	81.5
109.02868	34.1
109.10144	5.9
127.03889	28.1
128.06206	17.0
128.07002	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	127.039
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02364	2.5
53.00293	2.8
53.03943	96.7
54.04283	2.6
55.01867	11.3
57.03423	12.5
61.94148	1.6
63.78981	1.6
67.01853	4.5
68.99775	3.0
69.03423	8.1
69.71927	6.5
71.01334	6.5
71.04588	1.8
71.04987	56.6
81.03409	100.0
82.03765	2.9
83.01329	18.6
84.08138	3.7
85.02894	9.1
88.72760	1.8
97.02877	5.0
99.04446	57.0
100.04788	2.5
109.02890	13.9
127.03905	81.1
128.04224	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	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02364	1.4
53.00284	2.6
53.03942	37.3
55.01868	17.9
55.05516	1.2
56.96557	6.0
57.03422	4.3
58.06560	1.6
61.75348	1.1
62.86123	1.1
69.03421	100.0
69.07063	1.3
70.03751	1.5
70.06588	1.3
70.50478	2.4
71.01337	1.1
71.04993	5.9
72.05306	1.1
81.03410	92.2
81.04470	5.4
81.07046	1.7
82.03750	2.5
82.06565	3.5
83.01326	6.7
84.08132	18.5
84.95998	1.4
85.02911	5.2
85.05132	4.6
85.07656	2.4
86.06075	2.6
95.01315	4.3
97.02870	12.8
98.03669	1.5
98.98452	2.0
99.04443	11.4
100.07616	1.5
107.11768	1.2
109.02866	98.9
109.07640	1.3
109.97252	1.0
110.03216	2.3
110.04390	1.3
110.09676	4.1
110.85262	1.0
119.01938	1.7
121.01620	1.8
122.01968	1.5
126.98271	1.1
127.03905	37.2
127.04845	1.3
127.07195	7.9
127.27326	1.0
128.07098	1.5
128.08075	1.1
128.10699	3.5
144.98035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.44878	0.8
57.07068	88.2
58.07403	1.8
65.03573	0.8
69.03065	1.0
69.03423	20.1
69.07053	2.3
69.61127	2.6
70.41001	0.8
70.42079	0.9
71.04967	1.0
72.08135	2.0
72.66148	0.8
72.69963	0.8
74.09707	53.2
75.10060	0.8
82.06551	1.1
84.04479	4.2
84.08128	10.4
87.81135	0.8
91.05489	2.5
103.05454	3.5
112.07590	45.1
113.07915	1.4
116.06220	1.6
123.98661	0.9
130.06502	12.8
130.08609	9.8
130.15900	100.0
131.08542	2.2
131.16243	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03939	1.4
57.03420	0.4
57.07069	0.5
64.37885	0.3
65.03938	1.0
70.03751	0.4
91.05471	100.0
92.05811	3.1
95.04958	0.9
103.05457	8.9
103.06102	0.7
105.04482	0.5
105.07030	1.4
106.43211	0.4
113.07915	0.9
115.05444	13.4
116.06226	37.5
117.05781	0.5
117.06567	1.8
128.06192	2.8
129.06985	15.5
130.07368	0.5
131.04926	1.2
131.08551	62.9
132.04471	0.6
132.06560	0.5
132.08046	0.6
132.08910	2.9
133.06497	1.1
142.49905	0.4
143.06001	1.0
144.82416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03939	1.4
57.03420	0.4
57.07069	0.5
64.37885	0.3
65.03938	1.0
70.03751	0.4
91.05471	100.0
92.05811	3.1
95.04958	0.9
103.05457	8.9
103.06102	0.7
105.04482	0.5
105.07030	1.4
106.43211	0.4
113.07915	0.9
115.05444	13.4
116.06226	37.5
117.05781	0.5
117.06567	1.8
128.06192	2.8
129.06985	15.5
130.07368	0.5
131.04926	1.2
131.08551	62.9
132.04471	0.6
132.06560	0.5
132.08046	0.6
132.08910	2.9
133.06497	1.1
142.49905	0.4
143.06001	1.0
144.82416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96561	13.9
57.03426	1.4
61.02927	0.8
69.03417	2.1
69.06705	0.8
69.07063	10.5
70.06043	0.9
70.06376	0.6
73.02904	1.2
81.03407	1.1
83.00771	0.6
85.02905	2.2
86.09698	100.0
87.10012	2.2
90.01558	0.9
95.04910	0.5
96.01511	0.5
97.02345	0.6
97.02873	2.1
98.97582	2.0
99.04449	0.7
100.99130	1.8
104.04991	1.4
110.97563	1.1
116.98604	0.9
117.05819	0.6
119.00156	3.7
127.03902	0.6
128.98619	0.6
130.06458	0.5
132.06587	0.5
132.08041	0.8
136.91823	0.4
137.01216	1.2
141.76970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0494
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
50.43688	1.6
50.47221	1.5
55.01868	2.3
55.05485	2.1
55.91446	1.9
57.03430	50.7
59.05003	8.4
61.42638	1.4
69.03421	100.0
69.07053	2.3
69.80560	1.7
73.02930	1.8
74.02440	2.9
75.04468	8.9
77.03889	2.4
79.05472	8.4
85.02894	60.1
87.04449	15.2
87.74606	1.6
91.05470	12.8
95.04961	3.6
97.02884	15.0
103.05470	2.1
105.03345	2.3
105.07012	50.3
106.06538	4.4
115.03928	2.6
118.07800	1.9
119.07306	5.9
122.33395	1.6
131.08545	2.2
133.02855	3.2
133.06480	9.7
133.07599	11.9
133.10115	23.0
134.06032	5.8
134.09659	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	133.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.05511	6.0
57.03429	64.2
58.03775	2.6
59.04987	5.8
69.03418	100.0
69.71822	3.2
69.72173	10.1
73.02908	3.4
73.06544	3.0
75.04472	6.8
77.22629	2.4
79.05471	8.5
85.02892	55.8
87.04472	20.7
91.05467	21.0
93.07034	4.1
95.04969	4.6
97.02857	12.1
103.05411	3.7
105.06340	5.2
105.07018	75.0
111.75783	2.6
115.05420	4.9
117.07025	4.0
118.07795	3.7
124.44421	2.6
131.08511	6.3
133.06406	4.3
133.07561	3.2
133.10110	52.4
134.10439	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	133.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.05511	6.0
57.03429	64.2
58.03775	2.6
59.04987	5.8
69.03418	100.0
69.71822	3.2
69.72173	10.1
73.02908	3.4
73.06544	3.0
75.04472	6.8
77.22629	2.4
79.05471	8.5
85.02892	55.8
87.04472	20.7
91.05467	21.0
93.07034	4.1
95.04969	4.6
97.02857	12.1
103.05411	3.7
105.06340	5.2
105.07018	75.0
111.75783	2.6
115.05420	4.9
117.07025	4.0
118.07795	3.7
124.44421	2.6
131.08511	6.3
133.06406	4.3
133.07561	3.2
133.10110	52.4
134.10439	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	133.0493
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
53.03930	2.2
55.05505	10.0
57.03428	57.9
58.60061	1.6
59.04981	7.5
67.05468	2.1
69.03418	90.7
69.03799	4.4
69.45698	10.1
73.02919	3.0
73.06528	4.5
73.18156	1.8
73.57917	1.9
75.04457	5.3
79.05477	9.5
85.02891	63.3
86.08267	2.0
87.04447	16.1
91.04937	3.0
91.05470	36.3
93.07038	4.9
95.04951	3.5
97.02883	19.6
98.22728	4.5
103.05448	7.7
104.81064	1.8
105.07011	100.0
106.07391	2.6
115.03870	3.2
115.05447	4.5
117.07008	5.6
118.07779	5.3
124.99783	1.9
131.08553	9.6
133.06453	10.4
133.07455	2.7
133.10110	68.5
152.55157	2.3
154.62454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01868	1.5
55.05500	4.3
57.03429	4.7
59.04983	0.9
65.03923	1.0
67.05490	1.3
69.03424	11.9
70.51827	1.6
75.04457	1.0
77.03924	2.2
79.05479	10.3
85.02901	6.3
87.04470	1.9
87.06541	0.8
91.05468	27.0
93.07034	6.5
95.04952	4.1
97.02893	2.4
98.23438	0.7
103.05447	6.8
105.03406	0.9
105.04536	1.6
105.07015	100.0
106.07359	2.1
107.08561	1.4
115.05442	7.2
116.06248	1.2
117.07008	7.3
118.07789	8.6
129.07024	1.0
131.08560	7.2
133.06500	12.0
133.07552	2.0
133.10112	83.0
134.10431	1.7
144.47620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02382	0.7
51.85833	0.6
53.03930	1.5
54.36621	0.6
55.01868	0.8
55.05500	3.3
57.03419	2.2
65.03929	1.1
67.05493	0.7
69.03407	2.1
70.44209	1.2
77.03914	2.3
79.05483	15.8
85.02891	1.9
87.04436	0.7
90.74101	0.6
91.05470	31.2
91.93107	0.6
93.07020	6.4
95.04953	6.3
97.02865	0.8
103.05449	8.0
105.04535	1.8
105.07017	89.9
106.07328	3.8
107.08595	1.2
115.05443	7.7
116.06235	0.8
117.07000	9.2
118.07809	9.3
131.08559	9.9
131.09482	1.2
133.06479	26.8
133.10110	100.0
134.03690	0.6
134.06810	1.5
134.10477	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02366	0.4
52.31831	0.3
52.43764	0.3
53.03949	0.6
53.93261	0.3
55.05505	2.4
65.03929	0.8
67.05506	1.2
69.37437	0.9
69.37820	0.7
77.03919	1.1
79.05480	10.2
81.77058	0.4
91.05466	23.7
92.05765	0.8
92.06283	0.6
93.07034	6.6
95.04963	3.3
102.04699	0.3
103.05451	4.8
105.04519	1.1
105.07014	62.8
106.07310	1.8
107.08592	1.8
115.05444	7.4
116.06219	1.0
117.07011	10.2
118.07792	10.1
125.88287	0.4
129.06969	0.7
131.08546	8.3
132.08929	0.3
133.06540	2.6
133.10107	100.0
134.10443	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02374	0.4
52.27890	0.3
53.03939	0.5
55.05500	2.4
58.38474	0.3
61.59069	0.3
65.03914	0.5
67.05479	0.6
69.33926	1.1
69.34332	0.5
77.03908	0.8
79.05479	6.9
91.05467	21.5
92.05782	0.6
92.06291	0.4
93.07027	5.4
95.04949	1.7
98.23372	0.6
101.34908	0.4
102.29947	0.3
103.05465	4.0
104.55347	0.3
105.07011	50.1
106.07310	1.4
106.52792	0.4
107.08569	1.6
115.05441	7.2
116.06239	1.7
117.07005	8.1
118.07799	8.3
129.06973	0.5
131.08551	6.9
133.10106	100.0
134.10428	3.1
146.84355	0.3
149.12708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05501	3.0
65.03925	0.8
67.05492	1.0
69.69830	1.0
76.04533	0.3
77.03921	0.9
79.05025	0.6
79.05482	6.6
91.05463	18.9
92.05779	0.5
93.07025	5.4
95.04961	2.2
103.05447	3.6
104.06182	0.3
105.04511	0.9
105.07013	54.2
106.07359	1.6
107.08576	1.2
115.05432	8.7
116.06222	1.4
117.07007	8.1
118.07787	9.0
129.06935	0.7
131.08542	6.8
133.10107	100.0
134.10449	3.7
137.09891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05497	2.6
65.03920	0.3
66.56406	0.3
67.05501	0.9
69.95615	0.9
74.50586	0.3
77.03915	1.0
79.05479	8.1
79.64795	0.3
91.05466	21.2
92.05784	0.5
92.06287	0.5
93.07024	5.6
95.04947	3.0
98.22732	0.3
103.05457	4.1
105.04496	0.9
105.07012	56.8
106.07310	1.4
107.08584	1.7
112.54919	0.3
115.05437	7.1
116.06262	1.7
117.07002	8.3
118.06973	0.6
118.07787	9.9
129.06973	0.8
131.08546	7.2
133.10106	100.0
134.10461	3.4
152.93774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05504	4.1
58.47362	0.6
58.50499	0.6
59.79780	0.7
65.03933	0.7
66.36029	0.6
69.24966	4.0
73.35487	0.6
77.03928	1.2
79.05488	10.2
83.02068	0.6
91.05466	29.7
92.05780	0.7
93.07020	7.8
95.04944	3.2
103.05451	4.2
105.07015	84.9
106.07356	3.0
107.08586	1.5
115.05446	9.8
116.06248	1.7
117.07009	9.9
118.07793	10.1
129.06966	0.9
131.08557	15.4
133.06500	3.5
133.10109	100.0
134.10452	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	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
58.95416	15.4
60.95846	8.8
69.52930	40.8
74.93160	25.6
76.92868	80.6
93.88497	10.4
97.99187	9.2
98.97573	98.9
100.02520	11.1
116.00220	16.1
116.98587	74.0
120.48873	12.0
120.99104	9.6
121.01637	12.2
123.78917	11.0
131.01909	43.5
134.01260	15.4
134.99675	32.8
136.00102	11.6
136.02173	77.2
136.06216	11.2
138.25990	9.9
138.40813	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	134.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	8.7
69.14963	3.2
69.49925	5.8
69.50269	9.6
79.05482	5.4
80.05004	3.3
81.07932	3.2
91.05469	4.0
93.07010	4.1
95.04964	5.1
98.97576	16.5
107.06035	4.0
107.08533	4.4
108.08139	3.1
109.01111	7.8
116.98637	14.5
118.56169	3.3
125.91698	3.3
134.74309	2.7
134.99654	12.3
135.04413	7.1
135.05479	6.2
136.02144	100.0
136.06169	9.9
136.07474	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	135.0804
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03935	1.6
55.01875	1.5
55.05503	3.2
59.66348	0.6
65.03928	8.4
67.05499	5.4
69.07053	2.2
71.44733	0.7
77.03935	1.9
79.05484	60.5
80.05826	1.6
81.07054	1.9
91.05470	98.1
92.05795	3.1
92.06307	3.4
93.05746	0.8
93.07037	19.6
95.04962	10.0
95.08537	0.7
95.67731	0.7
97.69171	0.8
103.05447	2.6
105.04504	3.1
105.07017	34.2
107.04951	5.2
107.08579	69.3
108.08067	0.8
108.08894	1.9
109.01061	1.7
109.06496	15.6
115.05441	14.0
117.07008	6.5
119.06054	11.0
119.08559	7.3
120.05695	1.2
120.09361	1.0
133.06418	1.0
135.04399	2.2
135.08034	100.0
135.11673	10.0
136.02141	25.3
136.06165	6.0
136.07460	1.7
136.08426	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	135.0804
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02371	1.0
53.03935	2.2
53.12129	0.5
64.30791	0.6
68.59554	0.6
71.18573	0.7
77.03915	5.7
79.05480	50.0
79.86007	0.6
80.05788	0.7
85.12419	0.6
91.05460	7.6
92.06255	1.9
95.04957	13.5
103.05452	45.8
104.05762	0.9
105.04541	5.4
105.07013	100.0
106.07314	2.8
107.04927	0.9
107.08571	0.9
108.05745	0.6
117.07064	0.7
119.04904	1.6
120.05707	17.4
124.91288	0.5
133.06573	0.7
135.08032	53.3
136.02151	2.6
136.06140	0.8
136.08385	1.3
150.75923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02393	0.7
53.03946	2.7
55.05503	9.7
57.07069	1.4
65.03921	2.7
67.05494	3.2
69.07058	2.7
69.51713	2.6
77.03902	3.7
79.05481	22.6
80.05836	0.8
81.07053	4.6
89.24348	0.5
91.05467	58.7
92.05802	1.7
93.07031	52.1
94.07337	1.7
94.07861	0.7
95.04951	11.2
95.08597	1.0
98.22736	1.0
103.05448	1.7
104.06233	1.5
105.04517	3.8
105.07015	26.8
106.07843	1.5
107.04935	1.8
107.08576	100.0
108.04447	0.9
108.08878	3.4
109.01126	0.7
109.06499	10.0
115.05475	1.0
117.07009	4.7
119.06069	5.2
119.08562	23.1
120.09393	6.8
121.46455	0.5
122.18371	0.5
133.10103	2.7
135.04384	0.8
135.08086	3.0
135.11670	33.6
136.01151	1.0
136.02144	13.7
136.06157	2.9
136.07559	1.1
136.12041	1.4
137.09599	1.3
147.09146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65252	0.7
53.03938	2.2
55.05507	10.8
65.03922	2.0
67.05490	3.0
69.07066	4.1
69.65185	1.6
69.65547	1.1
73.65582	0.7
77.03922	2.5
79.05486	23.6
81.07052	5.1
91.05472	41.0
92.05791	1.4
93.07035	57.8
94.07333	1.4
94.07837	0.9
95.04966	7.8
103.05471	1.1
105.04499	3.4
105.07018	18.1
107.04910	1.0
107.08582	100.0
108.08250	0.7
108.08900	4.3
109.06497	8.1
117.07007	1.1
119.06084	4.5
119.08561	5.9
120.09352	2.7
133.10141	1.1
135.08035	2.5
135.11678	19.2
136.02141	4.8
136.06187	1.8
136.07533	1.4
143.13097	0.7
144.91359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0617
Annotation	Adenine
Peak:m/z	Relative Intensity
59.05457	0.1
63.29309	0.1
65.03923	0.2
67.02979	0.4
70.69125	0.2
74.70457	0.1
82.04022	0.2
91.05465	6.1
92.02474	0.5
92.05785	0.1
94.04037	3.4
107.04929	0.3
109.05102	0.9
110.83141	0.1
112.05042	0.3
118.06509	0.2
119.03535	12.3
119.04810	1.9
120.03855	0.2
136.06161	100.0
137.04570	6.2
137.05771	0.6
137.06531	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	Acetanilide
Peak:m/z	Relative Intensity
53.03925	2.2
55.01868	3.8
55.05508	0.8
65.03931	1.4
67.05493	2.7
68.05033	0.7
68.25723	0.6
69.03419	0.6
70.02934	0.7
71.44326	0.8
79.05473	1.7
80.05009	6.7
81.03407	6.2
81.07041	2.6
82.06569	1.4
91.05470	12.2
93.05776	3.6
93.07043	1.3
94.04085	1.5
94.06551	2.6
95.04953	2.3
95.08610	1.3
96.04517	1.2
105.04482	1.1
106.06534	0.9
107.07330	1.0
108.04456	1.9
108.08111	10.0
109.01093	6.9
109.02874	1.4
109.06516	0.8
117.05750	2.1
118.06541	6.0
119.03513	2.3
119.04915	2.2
119.84489	0.7
121.05251	0.8
122.03621	1.9
127.03882	1.9
134.05997	4.5
136.02144	83.4
136.06181	19.4
136.07559	100.0
136.11191	2.0
136.38486	0.7
137.02386	7.5
137.04619	0.9
137.05962	4.1
137.06935	1.0
137.07898	2.2
137.09608	2.0
139.60634	0.7
140.58035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.1121
Annotation	(S)-(-)-N,alpha-Dimethylbenzylamine
Peak:m/z	Relative Intensity
51.02366	0.3
53.03933	0.5
53.59591	0.2
65.03921	0.5
67.05517	0.2
70.48895	0.1
70.83010	0.3
77.03925	0.6
79.05488	6.0
80.05019	0.4
80.05824	0.2
81.03391	0.4
81.07057	0.4
91.05468	1.9
93.05772	0.2
93.07038	0.3
94.04134	1.2
94.06577	0.3
94.90033	0.3
95.04958	2.3
96.47884	0.1
103.05456	4.4
105.07021	100.0
106.07357	3.9
108.04462	0.3
108.08122	0.6
109.01089	2.1
117.69086	0.2
118.06508	0.3
119.03556	1.2
119.04942	0.5
121.08948	0.2
121.79585	0.2
122.03627	1.1
124.61402	0.2
125.94815	0.1
126.98940	0.2
136.02153	23.2
136.03889	0.6
136.06169	11.3
136.07542	1.8
136.11197	2.5
137.02473	1.4
137.04602	0.6
137.05957	1.9
137.06989	0.3
137.09583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02372	0.4
51.92517	0.4
53.03939	0.6
53.92168	0.4
55.01857	1.0
65.03928	2.0
65.84449	0.4
66.04713	6.9
67.05497	1.5
69.03444	0.5
77.03925	1.3
77.76279	0.5
79.05479	4.8
80.05012	0.7
81.03432	0.4
81.07056	2.5
91.05463	6.1
94.04173	51.4
95.04449	1.0
95.05003	2.5
95.08589	0.7
105.03371	0.9
105.04490	0.8
107.04948	1.7
108.04503	0.4
109.06512	1.1
109.07628	0.6
109.10134	0.4
110.01402	0.5
110.06039	0.8
110.83990	0.4
119.04927	0.6
122.03629	67.5
123.03943	2.2
135.04405	0.9
137.02521	3.5
137.05956	100.0
137.09567	1.2
138.01736	0.8
138.05507	0.7
138.06352	3.3
138.09114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01592	0.2
51.02378	0.8
51.04502	0.2
53.03941	0.4
55.01865	0.9
55.29111	0.2
57.07338	0.2
57.76363	0.2
60.23157	0.2
61.91238	0.2
65.03935	2.1
66.04362	0.4
66.04715	7.1
67.05486	0.6
69.03425	0.4
69.50397	0.2
70.68603	0.4
75.57310	0.2
77.03925	1.6
79.05482	4.5
81.07049	1.8
91.05466	3.7
93.03422	0.2
93.86435	0.2
94.04173	52.3
95.04481	0.7
95.04993	1.9
105.03363	1.0
105.04496	0.6
105.90682	0.2
107.04946	2.0
109.06502	1.0
119.04906	0.3
122.03629	72.6
123.03948	1.9
135.04396	0.8
137.05956	100.0
138.06311	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	137.0596
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03941	1.1
55.01874	0.8
55.05529	0.5
56.96574	1.0
57.25654	0.5
61.89203	0.4
65.03934	8.2
66.04718	0.6
67.05495	4.4
69.03424	0.5
73.22920	0.5
77.03903	0.6
79.05494	3.4
80.05024	0.5
81.03412	1.8
81.07049	5.1
82.06580	0.7
84.95713	0.5
91.05466	100.0
92.04993	1.5
92.05808	2.1
93.07044	1.6
94.04170	4.3
94.06540	4.2
95.04970	3.3
95.06052	0.6
95.08584	1.6
96.04472	0.9
108.04453	0.5
108.06816	0.6
109.02844	0.5
109.06512	4.0
109.07626	1.3
109.10159	0.8
110.05428	0.5
110.06044	4.4
119.04925	30.8
119.08517	0.6
120.04433	1.7
120.05233	0.6
121.02869	5.6
121.06453	0.6
122.03624	6.7
122.07262	1.3
127.03902	0.7
136.93117	0.6
137.02484	11.7
137.03534	1.1
137.05936	37.7
137.06960	1.9
137.09575	2.4
137.10603	1.0
138.01726	2.7
138.05481	18.9
138.06325	0.7
138.09059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	Toluate
Peak:m/z	Relative Intensity
52.31877	0.3
53.03931	0.3
55.01855	0.4
56.53718	0.3
57.07068	0.4
65.03932	8.0
66.04720	0.3
67.05487	2.4
69.07053	0.3
70.29128	0.2
70.75059	0.5
77.24804	0.3
79.05486	2.3
81.03429	0.4
81.06618	0.5
81.07047	5.7
82.01637	0.3
89.17480	0.3
91.05466	100.0
92.05797	2.9
93.07017	0.3
94.04186	2.7
95.04930	1.1
95.08595	3.0
107.04935	0.7
107.08565	0.3
109.06499	5.2
109.10126	1.0
119.04926	31.4
120.05250	0.8
122.03627	3.1
122.07274	1.4
129.16393	0.3
137.02417	1.0
137.05956	32.9
137.09557	2.3
138.05380	0.3
138.06300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03931	1.0
55.01879	0.7
55.05472	0.6
57.07049	0.9
65.03921	3.1
66.04716	6.8
67.05501	6.2
69.03418	0.9
69.07044	0.9
71.44141	0.9
77.03918	0.9
77.06651	0.7
79.05486	6.7
81.03396	2.5
81.07037	7.5
83.21609	0.6
91.05464	9.7
94.04170	42.4
95.04961	1.9
95.08589	6.8
97.02856	0.7
105.03371	1.1
105.04510	0.9
107.04968	3.2
109.04743	0.9
109.06477	2.2
109.10143	2.6
110.06014	0.8
116.74837	0.6
119.04900	1.3
119.08561	1.3
122.03627	66.6
122.07265	6.2
123.03985	2.0
130.16975	0.7
135.04405	0.8
137.02480	3.7
137.05954	100.0
137.09564	8.4
138.01732	1.0
138.05449	2.1
138.06313	2.4
147.51877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.16920	0.7
52.83682	0.6
53.12897	0.6
55.01858	1.2
55.05509	2.0
65.03926	0.8
66.04718	1.2
67.05494	29.2
67.22430	0.7
69.03425	1.1
69.07072	2.1
77.03922	1.4
79.05479	5.8
81.07039	11.2
91.05461	13.5
91.05976	1.1
93.07030	3.5
94.04175	7.8
94.07812	1.7
95.04958	4.6
95.08591	10.7
98.22678	1.6
103.05457	1.4
104.06246	1.2
107.04940	22.9
107.05674	1.5
107.08577	1.7
109.06510	1.4
109.10139	33.9
117.06995	1.6
119.08564	14.4
121.06486	8.9
122.03639	10.9
122.07267	100.0
123.07613	1.7
135.08014	5.1
137.02382	2.4
137.05960	16.8
137.09590	93.5
138.05452	1.1
138.06367	0.8
138.09911	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.82474	0.8
53.03934	1.5
54.55978	0.8
55.01859	1.2
55.05494	3.3
65.03930	0.9
66.04708	2.0
67.05495	30.5
69.03410	1.5
69.07038	2.1
77.03913	1.2
79.05499	4.4
81.07046	12.3
91.05462	15.7
93.07036	4.4
94.04173	11.6
94.07822	1.7
95.04969	5.1
95.08604	11.7
103.05438	1.6
105.04515	1.8
107.04937	19.8
109.06488	2.3
109.10139	35.5
117.06968	1.3
119.04943	1.3
119.08571	15.0
121.06483	8.3
121.37179	0.8
122.03639	15.3
122.07271	100.0
123.07597	2.8
135.08015	3.9
137.02373	1.2
137.05966	27.8
137.09596	97.3
138.09973	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	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03923	0.6
65.00406	0.2
65.03929	1.2
67.05492	1.1
70.04031	0.4
78.03436	0.8
79.04210	0.3
84.08800	0.2
92.04994	7.7
93.05766	1.1
94.06555	20.8
95.06864	0.6
96.04488	2.9
96.08780	0.2
110.06026	14.2
120.04332	0.3
121.06448	0.4
131.09949	0.2
136.03938	0.4
138.05481	100.0
139.05809	2.4
154.04933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1116
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03930	2.0
55.01862	3.0
55.05503	17.1
56.96562	33.2
57.03434	1.4
57.07064	3.8
59.04998	6.9
65.03931	2.7
67.05495	13.0
69.03413	3.7
69.07066	15.5
70.06618	1.3
71.04978	3.3
71.54861	0.8
71.95261	2.7
77.03905	1.0
79.05037	1.3
79.05486	22.7
81.07042	7.9
83.04974	39.6
84.05267	1.3
85.06552	1.3
91.05470	6.9
93.03393	1.1
93.05331	2.6
93.07035	38.9
95.04966	4.6
95.08595	38.2
97.02894	1.6
97.06514	8.7
98.97572	100.0
102.16924	0.9
103.58496	0.9
103.94958	1.0
105.04530	2.0
105.07039	5.4
110.05995	1.2
111.04436	2.5
111.06354	8.4
111.08044	2.2
111.58858	0.9
112.04729	1.2
116.98607	80.2
121.09286	1.0
121.10136	17.1
123.08049	1.0
134.99637	37.2
139.03894	2.0
139.08650	1.1
139.10149	1.5
139.11172	14.6
139.12190	1.1
140.00122	1.0
140.07146	1.1
153.00671	4.8
158.01289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98616	0.6
56.96562	27.9
58.95429	0.6
69.45255	0.6
69.45592	1.5
71.95258	1.5
92.23402	0.4
97.74232	0.4
97.99659	0.4
98.97575	100.0
99.97935	0.9
116.98611	60.4
117.99016	0.7
134.99644	19.4
140.00206	0.7
153.00722	1.4
158.01237	0.4
158.28589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00971	0.6
56.61660	0.5
56.96558	29.6
57.02667	0.5
57.07611	0.6
59.15960	0.6
70.73618	1.1
71.95252	1.9
78.33488	0.6
98.97572	100.0
100.85289	0.6
110.05327	0.6
116.98607	51.7
134.99635	18.4
140.00221	0.9
153.00714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	29.6
68.11998	0.4
70.92344	0.7
71.95239	1.5
86.26675	0.6
98.97569	100.0
99.97913	0.5
116.98605	55.5
134.99638	19.6
140.00201	0.7
143.06755	0.5
153.00722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41219	2.3
70.49863	4.8
75.76437	2.5
82.99873	3.1
97.02884	2.5
98.48568	3.0
100.02475	4.0
101.00874	35.7
102.37605	2.2
105.23615	2.4
118.03519	9.0
118.98226	2.4
119.01917	100.0
124.02487	3.3
136.04544	10.7
137.02971	22.2
142.03502	14.1
147.10675	2.5
160.04558	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41219	2.3
70.49863	4.8
75.76437	2.5
82.99873	3.1
97.02884	2.5
98.48568	3.0
100.02475	4.0
101.00874	35.7
102.37605	2.2
105.23615	2.4
118.03519	9.0
118.98226	2.4
119.01917	100.0
124.02487	3.3
136.04544	10.7
137.02971	22.2
142.03502	14.1
147.10675	2.5
160.04558	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	143.1066
Annotation	Cleroindicin A
Peak:m/z	Relative Intensity
55.05507	24.8
57.03429	2.1
57.07076	16.6
59.04978	5.1
60.95849	3.1
60.98729	1.9
61.80681	1.9
65.03944	2.6
67.05511	10.8
69.03426	8.3
69.07053	4.2
70.06573	6.4
70.08680	1.9
70.09010	3.8
71.04984	100.0
73.06551	12.6
79.05479	7.2
81.07044	5.6
83.04980	14.2
83.08625	9.0
84.28831	1.7
85.06536	42.9
85.07042	2.4
87.50651	1.6
91.05450	3.4
97.00791	4.3
97.02865	6.5
97.06518	3.4
97.10156	9.7
98.06030	7.8
101.00867	3.3
101.94991	4.7
102.96852	6.9
105.07001	2.6
107.08575	26.0
119.01900	19.3
120.01983	3.3
120.97885	6.9
121.00789	3.7
125.02348	3.6
125.07920	3.9
125.09634	17.6
128.06206	4.1
137.02940	6.6
138.98914	5.6
139.01816	10.9
143.03386	25.6
143.10606	2.5
144.06502	2.6
144.08061	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	143.9947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	3.7
55.05513	2.2
56.96560	9.7
57.03436	8.1
58.06596	2.7
60.95848	50.4
61.02927	3.4
64.38765	0.9
67.05500	4.2
69.03421	14.8
69.07066	3.2
70.06587	12.2
71.04997	3.1
72.04504	1.1
72.08147	1.3
73.02917	2.8
75.94543	2.8
78.99799	1.5
80.05009	1.6
80.23627	0.8
81.03419	4.2
81.07056	1.3
84.04501	2.8
84.08152	7.6
84.96025	2.4
85.02897	28.9
85.06554	2.0
93.48083	1.0
97.00817	2.1
97.02879	7.7
98.06040	15.4
98.09698	3.8
98.97577	8.1
99.04446	3.6
100.03967	1.3
102.00955	2.0
102.91178	1.5
102.96857	94.5
103.00622	2.7
109.02892	2.8
109.10164	3.3
113.02969	1.6
116.98595	6.8
119.01933	5.8
120.01987	16.4
120.03247	1.9
120.97893	100.0
121.00726	3.3
121.01671	13.7
121.02389	1.3
126.03704	1.5
126.05512	3.5
126.12786	2.2
127.03893	1.9
134.99655	5.5
137.02948	2.2
138.03075	8.3
138.04199	1.7
138.98926	71.2
139.01801	6.2
139.02740	5.3
139.58838	0.9
139.99254	1.1
140.08772	1.0
144.03253	1.8
144.04803	4.2
144.06555	3.5
144.08095	3.7
144.10173	9.1
144.13838	3.7
144.92172	1.3
145.01695	1.3
156.99977	12.7
162.00523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.5
57.05212	1.4
58.90884	1.7
60.95847	34.5
61.09495	1.5
61.95205	2.1
69.98489	4.2
74.18516	1.5
86.39265	1.7
98.97588	7.4
101.00879	4.3
102.00929	22.1
102.02246	2.6
102.96857	96.9
103.00620	17.2
116.98616	4.6
119.01897	18.4
119.82857	1.5
120.01989	100.0
120.03285	6.7
120.97893	64.0
120.98695	2.1
121.00793	3.8
121.01658	68.0
121.02499	4.3
137.02962	4.5
138.03061	26.1
138.04291	5.5
138.98933	20.6
138.99895	2.0
139.02686	19.2
144.03192	13.9
156.99950	2.9
162.04300	9.8
164.26108	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01861	12.5
55.05509	6.0
56.96556	5.4
57.03427	19.1
58.06593	1.1
59.04991	1.4
60.05637	5.4
60.08170	0.9
61.02923	6.8
69.03422	54.9
70.03770	0.8
70.06578	1.0
70.94157	1.0
70.94477	0.9
71.04980	4.0
73.02908	2.7
81.03413	9.4
81.27057	0.8
83.01325	3.3
83.04967	4.4
84.08128	3.6
84.96030	1.4
85.02892	100.0
86.03195	0.9
86.06056	17.0
87.04452	23.9
97.02882	23.0
98.97562	3.1
99.04429	16.7
100.07603	1.1
101.06013	5.5
103.00623	1.7
104.07104	3.3
109.02859	3.5
111.05598	2.1
115.03924	1.1
116.98588	2.0
117.66307	0.8
119.01907	2.7
121.01637	8.6
127.03883	5.3
128.07080	0.9
128.08171	2.0
128.10655	1.1
137.02907	1.4
139.02708	3.0
145.10535	5.0
146.08171	1.5
146.09190	6.9
146.11766	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	145.0494
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03939	7.6
55.01613	1.1
55.01863	13.8
55.05487	1.9
56.05042	0.7
56.96563	4.8
57.03429	19.5
58.06583	1.9
59.04992	1.4
59.06911	0.7
59.19555	0.7
59.90227	0.6
60.05635	2.2
60.08171	1.8
61.02914	8.2
69.03416	56.6
70.00379	0.6
70.03733	0.8
70.52142	0.9
71.01324	1.2
71.04980	4.2
72.08124	1.7
73.02908	2.4
81.03402	10.9
83.00814	1.1
83.01327	2.4
83.04980	1.5
84.08112	1.6
84.96046	1.0
85.02889	100.0
85.08480	1.1
86.03226	1.4
86.06062	6.1
86.77535	0.6
87.04455	10.8
89.03889	1.5
97.02875	28.2
98.97569	4.0
99.04436	16.3
100.07599	1.1
101.05988	1.6
103.00637	1.6
103.02435	2.6
104.07059	1.2
109.02850	4.2
109.38725	0.9
114.28564	0.7
115.03858	1.1
116.98612	1.4
119.01895	1.8
121.01659	7.2
121.03471	2.2
126.03900	0.7
127.03905	6.7
133.04216	1.0
134.99666	1.4
139.02689	1.3
145.10545	9.4
146.06009	1.4
146.08167	1.0
146.09239	2.2
146.11703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
56.05014	0.7
57.03426	1.2
58.06584	1.3
65.03928	1.0
66.52402	0.5
69.30434	1.4
69.30846	1.7
72.08144	12.1
82.06582	0.5
84.04501	0.8
84.08127	1.9
86.06046	0.7
91.05465	31.6
92.05805	0.7
95.01559	0.6
98.23450	1.3
104.90833	0.6
105.06999	0.8
111.56595	0.6
112.11233	3.5
117.05749	5.3
118.06522	100.0
119.04935	7.9
119.05771	0.9
119.06094	0.5
119.06840	3.1
119.08567	1.0
123.33788	0.5
128.04971	6.3
138.07860	0.6
146.05981	22.0
146.08078	1.6
147.04375	4.0
147.05444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.01875	0.3
55.05498	0.9
57.04871	0.3
65.03934	12.1
69.07076	0.5
69.12301	1.9
76.10858	0.3
79.05474	0.3
83.08590	0.4
89.03920	0.7
91.05468	100.0
92.05803	2.3
93.07020	0.4
95.04959	1.0
103.05465	0.8
105.04498	0.3
105.07017	5.4
107.04937	0.9
117.07003	1.4
119.04926	82.3
119.08559	8.5
120.05244	2.1
129.06863	0.4
131.08467	0.3
132.05666	0.4
145.10112	0.6
147.04390	33.1
147.08025	2.3
147.09129	0.7
147.11653	3.1
148.04750	1.3
158.10779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.51546	0.5
52.41533	0.4
55.05504	0.5
59.02525	0.4
65.03590	0.6
65.03932	12.1
66.29160	0.4
69.07067	0.9
69.17520	0.7
69.17909	1.4
91.05466	100.0
92.05807	2.6
95.04963	0.6
99.29601	0.4
102.74354	0.4
105.06992	2.9
107.08633	0.4
117.06960	0.5
119.04923	93.3
119.08530	3.7
120.05208	2.6
147.04384	36.0
147.11601	1.9
148.04692	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
65.03931	12.0
72.08139	0.7
77.36094	0.4
79.01870	0.5
83.08601	0.8
84.04482	0.9
86.79208	0.4
89.03909	0.8
91.05465	100.0
92.05799	2.6
95.04954	1.0
103.05454	1.4
105.07017	5.0
107.08609	0.5
117.06992	1.6
118.04164	0.9
119.04922	92.6
119.08556	7.5
120.04495	0.6
120.05227	2.8
132.09261	0.5
136.41527	0.4
141.50798	0.5
147.04391	38.1
147.05429	1.7
147.08003	1.2
147.09094	1.1
147.11676	2.8
148.04756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03931	1.0
53.43948	0.7
55.05507	13.9
55.62621	0.9
60.73634	0.9
65.03924	1.5
67.05489	2.2
69.07079	4.6
79.05479	7.0
81.07032	1.7
91.05470	46.3
92.05794	0.9
93.07028	2.7
95.04953	1.3
97.12183	0.7
103.05450	3.0
104.06185	1.3
105.07018	92.6
106.07355	3.1
107.04949	0.8
107.08596	6.2
109.06567	0.7
116.06235	1.1
117.07008	11.0
118.07764	1.0
119.04926	11.1
119.08565	100.0
120.08927	4.8
130.07767	1.1
131.08546	2.3
132.09372	4.3
145.10106	7.6
146.10545	1.0
147.04402	5.8
147.05489	1.3
147.08015	3.0
147.11664	55.0
148.12018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05502	11.8
60.36749	0.6
65.03922	2.5
67.05492	2.4
69.07063	3.8
69.49154	2.6
77.03901	0.9
78.83746	0.6
79.05484	6.9
81.07044	2.4
91.05469	42.4
92.05817	0.9
93.07047	2.7
95.04957	2.0
98.22697	1.4
103.05457	2.4
104.06286	0.8
105.07016	100.0
106.07314	3.4
106.22163	0.6
107.08588	3.5
115.05439	1.2
116.06239	1.5
117.07005	10.0
119.04933	9.5
119.08562	85.7
120.08873	4.2
129.06969	0.7
131.08556	1.6
132.09332	3.1
134.19472	0.6
145.10089	7.0
147.04384	5.5
147.08038	1.6
147.11665	50.2
148.12003	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.9
59.06553	1.3
62.18068	0.9
65.03925	3.2
67.05490	2.6
69.07051	2.5
69.76941	2.2
69.77328	2.2
79.05487	7.9
81.07018	1.2
91.05471	47.2
93.07031	3.8
95.04965	2.2
99.96162	1.2
103.05469	4.2
105.07018	67.8
106.07359	1.2
107.08591	8.2
115.05439	1.9
116.06209	3.4
117.07008	20.2
119.04938	10.3
119.08569	100.0
120.08889	3.8
129.07007	3.4
130.07756	1.1
131.08505	3.1
132.09317	8.0
145.10110	11.2
147.04413	7.8
147.08037	5.0
147.11671	57.8
148.11996	3.1
166.27727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.52158	1.1
55.01848	1.7
55.05498	3.6
65.03931	37.8
67.05489	1.7
69.03409	3.1
69.07049	1.8
69.66526	3.1
69.66924	2.0
77.03921	2.9
79.05486	24.6
81.07046	3.6
89.03911	1.9
91.05469	28.7
93.03386	10.6
93.07032	46.4
95.04962	10.6
103.05463	6.4
105.04485	2.9
105.07016	31.6
106.07780	3.1
107.04926	2.1
107.08590	11.7
109.06477	3.2
111.04436	8.6
115.05466	1.5
115.89846	1.4
116.06239	3.2
117.03396	1.1
119.08569	6.2
121.02845	52.6
121.03961	18.0
121.06456	7.7
121.10126	26.4
123.08108	2.4
131.08524	3.5
133.07578	1.6
149.02319	100.0
149.05954	2.8
149.09596	97.3
149.13223	4.8
150.02676	2.6
150.09953	2.0
167.03448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52158	1.1
55.01848	1.7
55.05498	3.6
65.03931	37.8
67.05489	1.7
69.03409	3.1
69.07049	1.8
69.66526	3.1
69.66924	2.0
77.03921	2.9
79.05486	24.6
81.07046	3.6
89.03911	1.9
91.05469	28.7
93.03386	10.6
93.07032	46.4
95.04962	10.6
103.05463	6.4
105.04485	2.9
105.07016	31.6
106.07780	3.1
107.04926	2.1
107.08590	11.7
109.06477	3.2
111.04436	8.6
115.05466	1.5
115.89846	1.4
116.06239	3.2
117.03396	1.1
119.08569	6.2
121.02845	52.6
121.03961	18.0
121.06456	7.7
121.10126	26.4
123.08108	2.4
131.08524	3.5
133.07578	1.6
149.02319	100.0
149.05954	2.8
149.09596	97.3
149.13223	4.8
150.02676	2.6
150.09953	2.0
167.03448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01857	1.1
55.05515	4.1
57.07057	2.5
65.03936	44.9
66.04265	1.0
66.99928	0.9
67.05498	2.3
69.07047	2.8
69.71346	1.9
69.71706	1.7
77.03908	3.6
78.04707	1.7
79.05487	28.0
81.07071	4.0
89.03885	1.7
91.05470	34.1
91.33152	0.8
93.03396	11.2
93.07037	47.2
95.04954	10.4
103.05445	7.9
105.03409	1.4
105.04511	3.5
105.07019	49.4
106.04174	2.1
106.07864	5.5
107.08579	21.4
108.04461	1.0
109.06492	3.0
111.04428	11.3
113.64290	1.0
115.05425	1.5
116.06224	3.0
117.03378	1.2
119.06026	1.3
119.08564	11.3
120.09315	1.5
121.02852	50.8
121.03964	20.8
121.06498	4.9
121.10131	67.2
122.03185	1.4
122.10449	1.4
123.08070	6.0
131.08562	2.7
133.07565	4.4
133.10136	1.3
134.03651	1.1
134.10880	2.7
147.28688	0.8
149.02325	98.0
149.05962	3.8
149.09601	100.0
149.13246	8.2
150.02647	2.3
150.09880	2.0
167.03337	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03934	1.9
55.01864	1.5
55.05497	2.4
57.07064	3.6
58.83265	1.3
65.03589	2.3
65.03933	43.1
65.58727	1.2
66.04262	2.0
67.05496	1.4
69.07053	3.3
77.03903	1.7
79.05482	14.3
81.07030	3.9
85.35275	1.2
89.03896	2.4
91.05477	21.1
93.03383	11.5
93.07027	20.9
95.04955	4.8
101.16371	1.2
103.05468	3.3
104.71808	1.1
105.04514	1.7
105.07017	35.0
106.07827	1.4
107.08581	30.5
109.06502	3.9
111.04429	10.7
119.08531	10.8
119.09152	1.0
121.02850	57.3
121.03970	19.7
121.06484	2.7
121.10127	65.4
122.03204	2.0
122.10460	1.9
123.08046	5.1
131.08537	1.7
133.07593	3.5
133.10107	4.2
134.10849	2.3
136.09109	1.2
149.02322	100.0
149.05931	2.1
149.09604	20.5
149.10725	1.0
149.13300	8.2
150.02660	5.4
167.03299	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0912
Annotation	D-Cathinone
Peak:m/z	Relative Intensity
54.42844	0.3
55.01868	0.5
56.05029	1.8
56.96558	4.1
57.03417	1.2
57.05811	2.9
61.01127	1.1
61.02909	1.4
65.03913	0.5
67.04210	0.4
67.05511	0.4
69.03412	0.8
69.77708	0.4
70.30714	0.6
73.02523	0.4
73.02899	1.4
79.05476	0.9
81.07052	1.2
83.04952	0.4
84.04513	0.5
85.02900	0.8
89.00761	1.2
90.01520	0.6
91.05466	51.3
92.05800	1.0
93.07037	2.8
94.06550	1.8
95.04957	1.1
96.01530	0.6
97.02868	0.5
98.01310	0.6
98.97569	3.2
101.00764	0.8
103.05457	1.5
105.07008	1.7
106.06545	0.7
107.04942	11.6
108.05723	1.2
108.08105	0.9
109.05302	0.4
109.06509	9.0
109.68939	0.4
110.01254	1.3
110.97554	0.6
113.25197	0.4
115.02388	0.5
115.05437	0.4
116.98596	1.0
117.05727	3.0
118.04157	0.9
118.06476	1.4
119.01780	2.0
119.04924	23.9
120.04449	1.0
120.05242	0.6
121.06487	13.1
122.03170	0.4
122.05996	1.2
122.09627	0.9
128.02292	2.6
132.04437	1.4
132.08058	3.2
133.03275	0.5
134.06024	3.9
135.06773	50.1
136.07106	0.7
137.02821	0.7
145.03436	1.6
145.99138	0.4
146.99660	0.4
149.08313	0.5
150.02652	1.3
150.05479	2.1
150.07771	9.7
150.09108	100.0
150.83600	0.4
151.07579	1.1
151.09435	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0385
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.84426	0.8
52.03142	1.1
55.01860	0.9
56.19407	0.6
56.55362	0.6
60.58199	0.6
63.44533	0.6
65.03929	13.5
67.05492	9.5
68.99776	1.2
69.62203	2.0
79.01891	0.6
79.05476	2.1
80.02628	1.8
81.07023	3.5
91.05450	2.9
93.07021	1.6
95.04953	100.0
95.08601	0.9
96.05301	1.6
98.03672	1.5
105.07001	3.0
107.08588	2.8
108.02083	12.1
109.06506	1.1
109.10172	1.6
110.03659	4.1
111.04426	2.0
112.14979	0.6
121.03958	1.1
123.04412	31.6
123.08038	1.2
133.10127	2.6
134.69394	0.6
141.05452	17.8
151.03885	69.8
151.08658	1.0
151.09978	0.9
151.11128	4.6
152.04196	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0384
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03947	1.0
55.01853	1.5
55.05490	2.3
65.03932	15.1
67.05167	1.0
67.05498	12.2
68.99772	1.3
69.03415	1.1
79.05467	1.9
80.02631	1.9
81.07039	5.3
85.89403	1.0
91.05454	4.4
93.07024	2.1
95.04955	100.0
95.08601	6.1
96.05296	1.6
98.03635	1.6
105.07020	3.6
107.08580	1.5
108.02087	11.4
109.06488	1.9
109.10130	2.1
110.03622	4.6
111.04446	1.8
119.04876	1.6
121.03987	1.6
123.04412	29.1
123.08051	6.8
141.05444	21.6
151.03885	82.6
151.07516	3.5
151.11145	6.0
152.04269	2.3
154.45647	1.0
163.83598	0.8
165.58624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0385
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01582	0.3
52.03157	1.4
55.01864	1.3
55.41317	0.3
63.02354	0.4
65.03931	16.2
65.78521	0.3
67.05495	7.9
68.99786	0.8
69.64665	1.3
73.99446	0.4
78.43334	0.3
79.01848	0.5
80.02627	2.1
81.07023	0.5
91.05463	0.7
93.07011	0.4
95.04954	100.0
95.75419	0.4
96.05249	1.9
98.03662	1.4
105.07010	0.6
106.06496	0.3
107.08538	0.4
108.02079	14.0
109.01156	0.4
110.03641	4.6
111.04435	1.5
119.04919	0.4
121.03977	0.9
123.04411	29.1
123.08042	0.5
124.04767	0.8
133.07521	0.4
134.06088	0.4
141.05443	20.7
142.05757	0.6
151.03880	79.0
151.08655	0.9
151.11127	0.5
152.04250	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	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.5
56.96556	2.7
65.03934	5.6
67.05499	0.9
70.69896	0.6
73.02890	0.3
77.03909	0.7
79.05476	1.8
80.06261	1.1
81.03393	0.5
81.07067	0.5
91.05469	100.0
92.05804	1.9
93.07037	1.3
94.06470	0.3
95.04956	9.8
95.08585	0.5
97.02889	0.4
98.23422	0.3
98.97563	3.6
101.12363	0.3
103.05466	0.8
104.01320	0.4
105.03374	0.6
105.04517	1.0
105.07044	0.9
106.06554	0.4
107.04931	1.0
108.05730	1.8
109.06520	0.6
110.01252	0.8
116.98605	1.2
118.04140	0.4
119.01771	0.9
119.04926	50.3
120.05281	1.2
121.06474	2.2
123.04420	1.8
123.08057	1.0
128.02296	1.6
133.02805	1.6
134.06023	1.0
134.99670	0.4
136.05177	9.8
137.02780	0.6
137.05971	4.6
146.99603	0.4
151.03886	0.9
151.07516	40.6
152.05850	0.4
152.07019	1.1
152.08025	0.6
155.25180	0.3
158.99648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03945	3.7
55.05503	100.0
56.05840	1.5
57.03423	0.9
57.07067	1.9
59.04988	2.6
59.56362	0.6
65.03922	1.3
67.05498	19.3
69.03419	2.2
69.07066	3.7
70.59547	0.8
71.04980	0.9
79.05484	10.6
81.03403	1.4
81.07045	33.7
82.07377	0.9
83.04956	1.0
83.97126	0.5
87.11003	0.6
91.05460	6.4
93.07022	8.1
95.04956	12.9
95.08588	9.1
97.06517	16.3
105.04488	0.8
105.07008	10.9
107.08575	11.0
108.05751	0.9
109.06506	14.4
109.10142	18.3
109.10883	1.1
110.07304	1.9
110.10493	0.6
119.04930	0.7
119.06067	0.8
121.06430	0.6
121.10104	1.8
122.07301	1.0
122.30890	0.6
123.04420	0.7
123.08044	5.4
123.10862	1.1
123.11687	12.0
125.09621	1.0
131.08566	0.8
133.06447	0.9
133.10109	3.8
136.08775	1.1
151.07536	2.7
151.11157	21.9
152.92371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.59228	1.8
55.01862	5.1
55.05507	12.4
57.03415	5.8
57.07045	2.5
65.03920	3.9
67.05494	67.7
69.03423	12.8
69.07041	6.1
69.52837	5.9
71.04975	4.6
73.99564	2.0
79.05480	51.4
81.03406	2.8
81.07042	69.3
83.04972	23.6
85.06506	2.1
91.05466	69.8
93.07030	43.9
95.04961	24.8
95.08592	17.4
97.06490	2.7
98.22626	2.0
102.44273	1.8
105.07013	86.9
106.06557	2.7
106.07302	3.2
107.04958	2.5
107.08574	89.9
107.82497	1.7
107.89802	1.6
109.06509	27.2
109.10136	44.8
110.05978	1.7
115.95453	1.6
123.03366	1.6
123.08024	7.9
123.11674	10.0
131.08534	3.8
133.10104	78.1
134.06024	1.6
134.10460	3.1
136.91528	1.7
151.02815	2.8
151.03998	1.8
151.05940	1.7
151.07651	3.2
151.08606	5.9
151.11156	100.0
152.07024	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	152.0566
Annotation	guanine
Peak:m/z	Relative Intensity
53.03927	0.5
55.01852	0.3
55.02970	0.2
56.96557	2.6
69.03403	0.4
69.84351	0.2
69.84683	0.3
77.03902	1.4
79.05476	4.0
81.03397	0.6
85.02863	0.3
91.05464	6.0
92.05796	0.2
93.07025	11.9
94.07317	0.2
95.04953	3.9
96.08101	0.2
97.02867	0.5
98.97561	0.7
103.02437	0.3
103.05445	8.0
105.04487	1.5
106.06538	5.2
107.04932	19.2
108.05260	0.4
108.08081	0.2
109.02853	1.5
109.05105	0.7
110.03506	4.7
110.06013	0.2
110.97540	1.6
116.98563	0.2
119.00182	0.4
119.01826	0.2
121.06480	100.0
122.06799	2.2
123.04398	0.4
124.07593	0.7
128.04543	1.8
128.98581	2.3
134.04561	0.3
134.04829	0.2
134.05984	6.6
135.03003	7.4
135.04390	8.2
135.06357	0.3
136.01425	0.4
136.04659	0.2
137.02318	0.4
138.03087	0.3
141.03076	0.2
146.99622	1.3
147.04991	0.4
149.09805	0.1
152.05652	32.3
152.07019	9.3
152.10623	1.8
153.04059	11.6
153.05411	1.4
154.02440	0.4
154.04442	0.2
162.52112	0.1
165.00679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03935	0.9
55.02954	0.4
56.41879	0.4
56.96567	2.9
56.97245	0.3
57.53650	0.4
69.45621	1.1
69.46020	0.6
77.03922	2.1
79.05483	18.9
80.05829	0.5
80.64896	0.4
81.03401	3.7
84.59497	0.4
85.02909	0.5
87.70235	0.4
89.03940	0.6
92.04996	0.5
95.04955	5.0
96.01426	0.4
97.02866	0.4
98.97604	0.9
100.99161	0.4
104.05775	0.4
105.04507	1.4
106.06545	23.0
107.04943	100.0
108.05284	1.7
108.08138	0.5
109.02863	9.1
109.05119	1.3
110.01212	0.5
110.03515	7.7
110.06027	0.8
110.97554	0.9
113.68774	0.4
119.00160	0.6
121.06483	1.7
123.04427	1.9
124.07586	1.4
128.04538	2.2
128.98590	1.6
134.04897	0.7
134.06001	27.1
135.03020	12.1
135.04405	49.4
136.04716	1.1
137.02328	3.1
138.03136	3.3
146.99634	1.0
152.05670	43.1
152.07050	39.0
152.10623	0.9
153.04063	16.0
153.05460	8.6
153.07365	0.9
167.46251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1069
Annotation	N-Methyltyramine
Peak:m/z	Relative Intensity
52.98559	0.2
53.03935	0.5
55.01867	0.4
56.96558	2.6
57.03440	0.3
65.03931	0.2
69.03426	0.3
69.38170	0.4
69.38577	0.6
77.03912	1.2
79.05482	5.3
81.03407	0.7
83.04974	0.3
91.05466	6.2
92.05787	0.4
93.07031	12.0
94.07342	0.3
95.04958	4.1
96.05305	0.2
96.08105	0.3
98.97562	1.2
103.05451	7.8
105.04506	1.5
106.06543	4.9
106.07191	0.1
107.04939	18.3
108.05265	0.6
108.08097	0.3
109.02859	1.7
109.05089	0.4
110.03526	3.2
110.06019	0.6
110.97552	0.9
111.04477	0.3
116.98602	0.8
121.06487	100.0
122.06823	2.1
123.04396	0.7
124.07574	0.7
125.05949	0.3
127.03806	0.2
128.04541	1.0
128.98575	1.2
134.05994	6.3
135.03018	3.2
135.04396	8.1
135.06335	0.4
136.01434	1.3
137.02336	1.6
138.03102	2.2
141.03079	0.3
146.99597	0.8
152.05661	16.0
152.07031	11.0
152.10657	2.3
153.02795	0.4
153.04054	7.6
153.05449	5.0
154.02452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	dl-Mandelic acid
Peak:m/z	Relative Intensity
53.03927	1.9
55.01880	0.5
55.05491	0.8
65.03925	1.0
67.05494	0.6
69.07039	0.4
69.36718	1.2
71.98829	0.4
77.03921	2.9
79.05482	37.2
80.05840	0.5
81.03410	0.6
81.07021	0.6
83.04968	1.2
85.00736	0.4
89.03902	3.2
90.79097	0.4
91.05457	0.7
93.03372	1.2
93.07052	0.5
95.04957	10.8
97.06511	0.7
98.23440	0.6
105.04494	3.4
107.04939	100.0
107.08567	0.8
108.05256	2.4
109.02864	1.2
110.03655	1.3
111.04440	3.6
117.03342	1.8
123.04423	3.2
125.05990	0.7
130.96301	0.5
135.04395	44.0
136.04704	0.9
137.02333	4.4
138.03110	7.2
145.03909	0.6
148.97363	0.6
153.05450	22.4
153.08992	0.5
153.12756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
51.71367	0.3
52.51441	0.3
53.03932	0.6
55.01861	0.9
55.05502	1.8
57.03422	0.6
57.14335	0.2
65.03938	2.2
67.05495	2.6
69.03425	1.8
69.07057	1.4
71.01348	0.7
71.04983	0.8
73.06547	0.4
75.04454	0.7
76.86377	0.3
77.03907	0.6
79.05479	17.7
80.05820	0.3
81.07046	3.6
83.01328	1.0
83.04980	2.6
85.02843	0.3
91.05466	19.8
92.05760	0.6
92.06280	0.7
93.07030	4.1
95.04955	7.6
95.05523	0.6
95.08578	1.4
95.48907	0.3
97.06525	1.7
105.04503	0.4
105.06329	0.6
105.07012	7.6
107.04929	0.8
107.08577	25.6
108.08930	0.4
109.06506	6.2
109.10141	1.1
111.04420	0.8
111.08043	2.3
115.05418	1.4
117.04251	0.3
117.06988	0.9
119.06052	3.0
121.06483	1.1
123.04401	0.5
125.06047	0.3
125.09615	3.6
135.08031	100.0
136.08360	3.6
138.06721	3.4
153.05440	0.9
153.09081	35.3
153.12706	1.2
154.09456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	DDA
Peak:m/z	Relative Intensity
51.07109	0.4
53.03926	1.3
53.70972	0.5
55.01855	2.0
55.05500	55.7
56.05839	0.7
57.03423	0.9
66.16728	0.6
67.05492	2.3
67.83572	0.5
69.03432	0.9
69.07040	3.4
69.58318	1.7
71.04982	1.6
73.06541	0.5
79.05475	1.3
81.07036	3.7
83.04964	100.0
84.05299	1.7
91.05501	0.5
93.07025	3.3
95.04952	3.1
95.08590	2.1
97.06513	1.9
98.23423	0.8
100.78304	0.5
105.06982	0.6
107.04919	0.6
107.08573	4.2
109.06512	0.8
109.10145	1.2
111.04409	0.6
111.08066	2.7
125.09634	0.7
135.11659	0.8
153.05421	0.6
153.12706	13.7
154.13017	0.6
160.09114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03947	1.1
55.01857	2.7
55.05498	10.6
57.03418	3.4
57.07055	1.9
59.04989	1.4
65.03925	1.7
67.05492	28.9
69.03415	3.5
69.07059	45.7
70.95846	2.5
71.04965	2.2
71.95253	14.7
79.05482	24.9
81.07044	35.7
83.04985	5.1
83.08602	6.4
85.06526	2.1
91.05460	5.5
93.07029	44.5
95.04954	3.7
95.08589	18.9
97.06512	20.3
105.07010	1.1
107.08578	47.4
108.04478	1.4
109.10137	32.3
110.03625	1.4
111.03938	2.5
111.05536	1.0
111.08051	5.9
112.04752	1.0
122.02363	1.3
125.06022	1.4
125.09588	0.9
126.05485	1.4
126.06313	2.3
135.11671	100.0
136.03908	1.2
136.12007	3.1
138.05046	1.3
138.44249	0.9
148.97263	1.2
153.05432	3.0
153.07509	6.9
153.09132	2.2
153.12718	88.5
154.04893	1.4
154.13097	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	1.1
55.01875	1.4
55.05505	10.0
57.03431	3.2
57.07071	2.4
59.05001	2.0
61.68056	0.6
65.03934	2.2
66.10250	0.6
67.05497	14.9
69.03412	2.0
69.07065	13.6
70.18343	0.6
70.57877	1.5
71.04983	3.9
71.09001	0.6
73.06535	0.7
77.03927	1.4
79.05485	14.1
81.06569	0.8
81.07047	17.7
83.04965	12.8
83.08612	4.7
91.05468	11.9
93.07034	69.7
94.07370	0.8
95.04955	6.6
95.08595	62.2
96.08934	1.3
97.06516	18.7
104.19112	0.7
105.04510	1.0
105.07014	3.6
107.04965	1.0
107.08582	100.0
108.08924	2.1
109.06490	3.1
109.10140	21.9
110.03620	1.0
111.04446	1.3
111.08051	3.1
111.11703	0.7
121.06493	1.2
135.08055	2.4
135.11674	39.1
136.12001	1.5
153.05441	1.7
153.09103	2.9
153.12723	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	155.1428
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
55.05495	2.1
57.03428	1.5
57.07067	100.0
58.07409	1.1
59.04992	0.4
67.05505	2.9
69.07065	1.3
69.48450	0.5
69.48842	1.0
70.95850	1.1
71.04980	0.9
71.08630	0.6
72.93787	1.1
79.05499	0.8
81.07047	6.1
83.04983	1.0
83.08634	0.5
85.06533	14.7
95.04975	1.4
95.08595	4.7
98.98434	0.4
99.04458	0.6
99.08093	1.4
109.06525	0.8
109.10127	1.9
113.06010	0.7
118.97549	0.4
132.95845	1.0
137.09653	0.5
137.13211	0.9
141.06979	0.5
150.96906	0.9
155.07013	0.9
155.14281	4.3
155.15251	0.4
156.09396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1429
Annotation	Ipsenol
Peak:m/z	Relative Intensity
51.50188	0.7
55.05501	4.2
57.03433	1.7
57.07067	100.0
58.07410	1.2
59.04978	0.7
61.69206	0.7
67.05493	4.2
69.03448	1.1
69.07069	3.0
70.22871	0.7
70.95851	4.4
71.04981	1.5
72.93790	3.7
79.05484	0.9
81.07043	8.2
83.04985	2.2
85.06523	12.0
88.48164	0.6
88.96854	0.8
95.04931	3.3
95.08586	6.5
97.10182	0.9
98.98479	4.0
99.04433	1.4
99.08087	1.4
105.04578	0.9
109.06549	0.9
109.10125	3.7
111.04439	1.9
111.98438	1.4
113.05978	1.1
117.47425	0.7
123.04408	0.7
127.07496	0.7
132.95804	4.3
137.13254	1.0
150.96884	5.5
155.07048	3.7
155.08470	1.9
155.10677	1.0
155.14229	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	156.042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
56.96556	8.0
57.03427	1.6
69.03412	2.1
70.22519	1.9
70.22832	1.5
72.08142	1.0
73.02871	1.3
74.09326	1.5
74.09712	24.4
75.01015	2.1
84.01565	9.1
84.08086	1.7
85.02881	3.1
93.02048	3.4
96.01511	2.3
96.96901	3.9
97.02885	1.6
98.97583	2.2
100.09495	1.1
102.01520	2.4
103.02390	2.1
105.02052	4.9
108.55122	1.3
110.07163	12.1
111.02052	2.7
112.05246	4.5
117.01971	1.3
119.01783	1.4
120.01962	1.5
130.06287	26.7
131.00134	4.7
132.01953	2.6
132.05087	1.4
133.01659	1.8
133.03441	4.6
138.09126	9.3
149.01242	8.7
151.04581	1.8
156.04195	100.0
156.10213	5.2
157.04562	1.5
167.02206	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	157.049
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
53.03941	11.4
53.74863	1.3
55.05500	2.2
56.96556	1.9
57.03419	2.2
69.03422	85.7
69.07051	2.0
70.03750	1.4
70.06574	2.0
73.02541	1.7
73.02908	22.5
85.02892	5.1
94.61504	1.3
97.02880	100.0
98.97569	10.4
108.59187	1.3
112.78991	1.3
115.03921	35.8
116.97268	1.8
116.98623	8.7
129.06934	2.8
134.99617	4.6
141.06978	1.3
142.07765	9.1
151.32057	1.3
157.04951	3.6
157.06360	2.6
157.07567	1.7
157.10091	6.4
158.09651	2.5
159.55496	1.6
177.60739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0494
Annotation	3-Methylmuconolactone
Peak:m/z	Relative Intensity
53.03952	11.6
56.96560	3.4
57.93565	2.4
60.08552	1.9
69.03419	82.7
69.07604	16.1
71.10191	1.9
73.02914	23.9
85.02885	6.0
97.02882	100.0
98.97574	11.6
115.03905	33.9
116.97211	4.7
116.98589	10.0
120.06902	1.9
120.87659	1.9
134.99617	2.2
142.07747	3.0
152.96947	3.1
153.53529	2.0
157.07541	2.3
158.09645	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	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53708	0.3
54.98619	0.4
56.96558	15.4
58.95407	1.0
60.35900	0.2
62.76455	0.3
71.95263	0.7
76.92858	0.4
81.85028	0.2
92.82912	0.3
97.99186	0.4
98.97570	100.0
99.97966	0.9
116.98605	53.1
117.99037	1.9
118.03507	0.3
119.01893	0.3
134.03000	0.6
134.99638	16.8
136.00087	1.8
140.00185	0.7
142.40645	0.3
153.00722	1.4
154.01141	0.5
156.09654	0.3
158.01244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	14.6
70.06594	1.2
71.95235	0.6
79.28405	0.2
98.97564	100.0
99.96755	0.2
99.97881	0.6
112.07586	0.5
112.99120	0.3
116.97221	1.4
116.98598	57.7
117.98921	0.5
123.24596	0.2
124.51644	0.3
134.99629	19.7
140.00177	0.9
140.07005	0.8
152.96913	0.6
153.00682	2.0
158.01160	0.6
158.09679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67321	0.3
54.98634	0.5
56.96556	15.1
69.41276	0.6
69.41656	0.5
71.95241	0.8
79.89216	0.3
97.99200	0.3
98.97567	100.0
116.98602	55.5
121.01652	0.4
134.02963	0.3
134.99634	18.5
140.00157	0.5
147.48488	0.3
153.00652	1.5
158.01234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	35.8
57.03423	0.7
57.07071	2.4
57.93557	1.2
59.93113	4.2
62.98338	0.6
67.48521	0.7
69.03434	0.6
71.42708	0.7
71.95241	1.6
72.04495	1.0
72.08135	0.7
73.95676	1.4
75.94606	0.7
76.93335	1.1
77.94131	2.0
91.05521	1.0
95.95196	1.4
98.97569	86.7
99.97896	4.9
100.09371	0.8
101.00860	2.4
102.09177	3.7
114.05515	0.9
116.97227	4.1
116.98605	100.0
117.07135	0.9
117.96046	1.1
117.97598	3.2
117.98950	6.7
118.03488	0.9
118.96744	16.8
119.01906	12.3
126.62072	0.7
131.04907	1.7
131.06027	0.7
131.11800	1.3
133.98999	1.1
134.99638	86.7
135.99992	5.3
136.04530	1.4
137.02936	4.7
140.00180	1.6
142.03476	9.3
148.36378	0.8
152.96945	0.8
153.00687	15.0
153.01811	0.7
153.96753	2.6
154.01071	1.3
154.96426	6.7
158.01257	1.9
158.15376	4.6
159.06897	1.2
159.09158	1.4
159.11581	0.9
160.04556	6.6
178.05525	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	35.8
57.03423	0.7
57.07071	2.4
57.93557	1.2
59.93113	4.2
62.98338	0.6
67.48521	0.7
69.03434	0.6
71.42708	0.7
71.95241	1.6
72.04495	1.0
72.08135	0.7
73.95676	1.4
75.94606	0.7
76.93335	1.1
77.94131	2.0
91.05521	1.0
95.95196	1.4
98.97569	86.7
99.97896	4.9
100.09371	0.8
101.00860	2.4
102.09177	3.7
114.05515	0.9
116.97227	4.1
116.98605	100.0
117.07135	0.9
117.96046	1.1
117.97598	3.2
117.98950	6.7
118.03488	0.9
118.96744	16.8
119.01906	12.3
126.62072	0.7
131.04907	1.7
131.06027	0.7
131.11800	1.3
133.98999	1.1
134.99638	86.7
135.99992	5.3
136.04530	1.4
137.02936	4.7
140.00180	1.6
142.03476	9.3
148.36378	0.8
152.96945	0.8
153.00687	15.0
153.01811	0.7
153.96753	2.6
154.01071	1.3
154.96426	6.7
158.01257	1.9
158.15376	4.6
159.06897	1.2
159.09158	1.4
159.11581	0.9
160.04556	6.6
178.05525	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	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38706	0.1
56.96552	0.7
58.70274	0.1
58.96151	0.2
60.00626	0.2
60.95842	0.2
82.99813	1.3
98.97566	2.0
100.95249	0.1
100.97182	0.7
100.98003	0.5
101.00861	18.8
101.95024	0.8
101.97178	0.3
102.00919	1.2
102.96865	1.3
103.00602	0.2
116.98611	1.3
118.03502	0.2
119.01899	100.0
119.96046	0.3
119.98228	0.2
120.01975	6.3
120.97883	1.2
121.01638	0.9
121.02364	0.3
125.02494	0.1
133.10139	0.2
134.99634	1.0
137.02933	37.1
137.97070	0.3
137.99265	0.1
138.03026	2.0
138.98917	0.5
139.03439	0.2
142.03468	1.0
143.03622	2.7
144.03183	0.7
160.04530	0.3
161.02925	3.5
161.04631	2.4
161.07072	0.3
161.09612	0.2
162.03061	0.2
162.04306	0.5
179.03987	5.7
179.05658	0.8
180.04118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.6
58.96137	0.2
60.00628	0.2
60.95839	0.2
64.50387	0.1
71.43647	0.2
77.62486	0.1
82.99817	1.5
83.99892	0.2
96.20049	0.1
98.97562	2.0
100.97163	0.6
100.97914	0.3
101.00860	23.5
101.95021	0.4
101.97198	0.3
102.00922	1.7
102.96853	1.6
103.00598	0.2
116.98621	1.4
118.03523	0.2
119.01898	100.0
119.98228	0.2
120.01974	5.9
120.97895	0.8
121.01646	0.9
121.02364	0.4
125.02570	0.3
134.99632	0.5
137.02931	31.2
138.03008	1.9
138.98901	0.3
142.03442	1.1
143.03610	3.0
144.03198	0.8
145.48889	0.2
153.00690	0.2
156.97618	0.1
161.02940	3.5
161.04617	2.0
162.04347	0.6
179.03976	5.2
179.05554	0.5
180.04048	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
61.60480	0.5
62.21634	0.6
63.02368	1.7
71.01828	0.7
77.03909	2.1
78.80155	0.5
79.05476	10.2
89.03903	81.1
90.04243	1.7
93.07024	0.8
95.04956	5.2
103.05443	0.6
105.04491	1.8
105.06982	1.0
107.04945	14.5
107.08591	1.3
108.45229	0.8
117.03362	64.0
118.03683	1.9
121.10128	0.8
130.34056	0.6
131.04930	0.7
135.04395	100.0
136.04724	2.4
136.07526	0.8
145.02829	45.4
145.03856	2.1
145.10123	0.7
146.03120	1.0
163.03879	75.9
163.14777	0.8
164.04221	1.7
164.07063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
50.19585	0.4
53.03912	1.0
55.01860	1.0
55.05500	0.8
61.02914	0.8
62.68704	0.4
63.02369	2.1
65.87684	0.4
66.32683	0.4
67.05482	0.6
69.03413	1.8
69.07066	2.4
69.13579	1.5
69.13988	1.2
74.13907	0.4
77.03922	1.9
79.05484	11.8
81.07053	1.5
83.08634	0.7
85.02884	3.1
89.03903	68.4
90.04243	1.9
91.05471	3.0
93.07031	4.4
95.04948	5.2
95.08598	1.3
97.02870	0.8
98.22679	0.8
99.04436	0.7
103.05464	4.6
105.03379	1.1
105.04498	2.0
105.07019	1.9
106.06541	0.9
107.04938	14.5
107.08573	6.6
112.08315	0.4
117.03363	55.6
117.07024	0.7
118.03686	1.6
119.08564	1.2
121.06485	0.9
121.10121	4.9
130.06493	1.8
131.04926	3.4
132.02060	1.0
132.08095	1.6
133.02849	1.6
135.04396	88.9
135.11668	1.9
136.04767	2.2
145.02827	40.6
145.10097	1.3
146.03145	0.8
163.03879	100.0
163.07460	3.3
163.11130	3.2
163.12317	1.4
163.14790	2.6
164.04239	3.4
164.07069	1.6
181.02896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03943	3.9
55.01861	5.0
55.05511	0.7
56.96556	6.3
57.03432	11.9
59.04988	1.0
60.04521	1.2
60.95837	0.9
61.02596	0.5
61.02920	18.4
69.03420	38.2
69.28805	2.4
70.06593	0.6
71.01350	1.2
71.04984	3.2
73.02906	8.0
77.03918	0.6
79.05481	1.3
81.03411	11.0
83.01360	1.1
85.02894	100.0
86.03238	1.4
87.04449	2.9
91.03951	1.6
91.05469	2.4
93.07027	1.2
95.04961	1.3
97.02882	19.1
98.97572	1.8
99.04440	3.8
100.99120	1.1
101.02381	1.6
102.96876	1.2
103.03940	0.7
106.06569	1.7
107.04942	1.4
108.08111	1.4
109.02873	7.7
109.03554	0.8
109.06525	0.7
115.03927	1.3
116.98574	1.2
117.05755	1.5
118.06517	2.4
119.01854	0.4
119.04917	1.6
119.68766	0.4
120.08140	0.7
120.97920	1.0
121.01644	2.8
121.06506	1.8
127.00702	0.4
127.03889	5.8
130.06535	2.9
132.08064	4.1
133.02841	1.9
134.99594	0.5
135.04385	3.0
136.07561	11.1
137.05974	1.5
138.98955	0.5
139.02649	0.7
145.01709	1.1
145.05023	0.7
146.06001	3.3
149.04666	0.6
149.08311	3.6
162.05534	1.5
163.02725	1.3
163.03947	7.3
163.05922	0.7
163.08710	0.7
163.12358	2.3
164.07053	18.2
164.09367	0.7
164.10680	8.4
181.03804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01859	4.9
55.05497	4.7
57.03426	12.8
61.02922	16.2
67.05492	5.8
69.03062	2.3
69.03421	34.9
69.07059	8.8
71.04964	3.7
73.02914	7.7
77.03906	4.0
79.05488	19.5
81.03395	11.1
81.07024	4.5
83.08589	2.6
83.81747	1.5
85.02896	100.0
87.04436	4.1
89.03912	33.6
91.03949	2.2
91.05467	9.9
93.07038	14.8
95.04956	11.6
95.08605	2.4
97.02872	20.0
99.04441	5.6
101.02357	1.6
103.03947	3.6
103.05455	17.6
105.03368	6.4
105.04465	2.7
105.07017	9.6
106.06559	3.8
107.04939	15.6
107.08581	35.1
109.02854	7.5
109.10132	4.7
115.05418	2.4
117.02567	2.6
117.03368	31.1
117.05714	2.6
117.07007	2.8
118.06517	6.8
119.08566	4.3
120.08133	1.8
121.06482	2.0
121.10139	23.3
127.03889	6.9
127.11147	2.0
130.06502	7.3
130.07837	1.8
131.04912	19.1
132.08054	7.4
133.02824	8.8
135.04408	60.5
135.08026	5.3
135.11684	11.2
136.04805	1.9
136.07556	7.7
145.02849	21.8
145.10117	3.9
146.06036	2.2
163.01765	3.4
163.03886	85.0
163.07521	11.8
163.08696	2.8
163.11128	15.8
163.12337	7.9
163.14792	10.7
164.04181	2.0
164.07043	5.8
168.03723	1.6
181.02922	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	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03931	10.5
53.46058	1.9
55.01860	7.6
55.05490	8.5
55.45396	2.2
55.93516	2.0
57.03421	5.6
61.02905	3.2
65.12849	2.1
67.05474	6.5
69.03423	16.2
69.07054	10.9
70.32123	5.8
71.04979	5.4
72.31042	2.0
77.03908	6.6
79.05479	38.2
81.03399	20.8
81.07047	16.0
83.08602	2.5
84.08138	2.1
85.02891	47.1
89.03902	31.3
91.05457	28.1
92.02589	2.6
93.07029	40.5
95.04951	28.9
95.08584	7.2
97.02883	4.0
99.04438	63.8
103.03258	4.5
103.03930	66.5
103.05444	63.9
105.03369	9.5
105.04486	9.9
105.07009	25.9
106.06536	7.1
107.04933	32.4
107.08576	60.2
109.02840	7.7
109.06506	4.0
115.05423	9.1
117.03365	24.7
117.05730	7.6
117.06998	16.8
119.08550	17.1
120.08138	2.2
121.06479	11.0
121.10120	39.2
123.08034	2.4
127.03900	39.9
130.06508	15.0
130.07762	10.3
131.03951	4.3
131.04906	66.8
131.05890	4.4
132.08063	19.6
133.02832	18.3
135.04404	63.6
135.08026	16.2
135.11649	17.4
136.07515	10.9
145.02844	16.9
145.06497	10.2
145.10109	35.0
148.08774	3.4
163.03879	98.7
163.07515	37.6
163.11139	100.0
163.12312	13.5
163.14766	14.9
164.04283	3.2
164.07056	9.6
164.11569	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	163.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.8
55.01855	5.0
55.05491	9.4
57.03434	10.7
57.07062	4.9
59.07520	2.0
61.02914	13.5
66.59318	1.8
67.05486	6.4
69.03417	35.5
69.07054	44.2
69.52546	8.5
71.04960	3.8
73.02885	5.3
77.03915	4.5
77.29397	1.7
77.91161	1.9
79.05481	29.8
81.03406	12.0
81.07038	11.4
83.08592	8.0
85.02892	86.0
89.03893	22.2
91.03917	2.3
91.05473	20.3
92.02575	3.0
93.05755	2.5
93.07023	34.2
95.04955	18.6
95.08583	9.4
97.02878	18.3
98.20570	1.9
99.04433	9.5
103.03908	8.5
103.05457	21.6
105.03351	8.7
105.04491	6.6
105.07016	21.5
106.06562	6.1
107.04941	17.4
107.08576	100.0
107.36098	2.0
108.08081	5.0
109.02856	7.2
109.06493	2.1
109.10078	2.4
115.05456	5.1
117.03362	17.0
117.05751	5.3
117.06990	7.6
119.06059	2.4
119.08563	9.4
120.08102	3.7
121.06481	5.9
121.10125	50.2
127.03886	9.7
130.06416	11.3
130.07814	2.7
131.04900	16.4
132.08072	13.7
133.02792	13.3
133.10129	2.7
135.04399	52.7
135.07996	10.9
135.11652	23.1
136.07538	11.1
137.05917	2.6
145.02824	16.4
145.06445	6.4
145.10121	9.5
148.08768	2.6
163.03877	88.5
163.07509	14.9
163.11140	25.8
163.12315	11.2
163.14790	37.8
164.07042	20.8
181.02901	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	163.06
Annotation	2-Dehydro-3-deoxy-L-fuconate
Peak:m/z	Relative Intensity
53.03945	4.2
55.01866	9.1
56.05031	3.5
56.96540	3.7
57.03434	14.0
57.23213	0.8
60.08160	1.7
60.95853	0.9
61.02916	17.2
69.03420	45.2
71.01344	1.3
71.03973	1.1
71.04983	3.0
72.63979	0.7
73.02915	7.5
74.02428	0.8
74.06052	1.5
77.03912	1.4
79.05478	5.1
80.04990	0.8
81.03406	10.9
81.07001	0.9
83.01350	1.1
85.02894	100.0
86.03224	1.8
87.04450	2.6
88.83334	0.7
89.03911	12.4
91.03947	2.3
91.05492	1.9
92.02621	1.2
93.07037	1.0
95.04962	6.1
97.02878	21.7
97.03474	1.5
98.97584	2.9
99.04448	3.9
101.02356	4.9
102.05536	3.5
102.96861	1.6
103.03905	2.1
104.04278	1.5
105.03363	3.7
105.04496	2.5
106.06557	1.7
107.04921	4.3
108.08102	2.0
109.02855	6.2
115.03934	1.1
116.98609	0.9
117.03372	11.0
117.05719	1.5
118.02811	0.8
118.06519	2.5
119.01893	1.1
119.04944	1.2
120.97895	1.4
121.01641	4.1
121.06466	1.7
127.03899	9.2
130.06516	3.2
132.08072	3.3
133.02835	7.4
135.03343	1.3
135.04393	26.1
136.04764	0.8
136.07553	14.8
137.05991	1.2
138.98921	0.7
139.02682	3.0
145.02832	7.4
146.05930	3.8
149.01230	1.0
149.08304	1.4
162.05446	1.7
163.03882	40.5
163.08595	1.0
163.11218	1.0
163.12321	2.4
164.04305	1.1
164.07045	30.3
164.08458	1.5
164.10683	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	163.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.6
55.01854	6.8
55.05498	4.1
56.49391	1.6
57.03432	10.7
61.02922	14.3
62.76539	1.6
67.05494	3.7
69.03420	29.8
69.07050	9.9
69.08931	6.8
69.09349	4.1
71.04961	4.5
73.02901	3.4
77.03909	4.4
79.05482	24.8
81.03391	9.9
81.07043	6.9
83.01277	1.5
83.08589	2.8
84.08128	2.1
85.02892	81.1
89.03901	65.9
91.05463	13.1
93.05751	2.5
93.07035	16.8
95.04952	16.8
95.08587	4.8
97.02876	16.4
98.22675	3.5
98.91743	1.6
99.04431	12.0
103.03934	8.8
103.05440	15.2
105.03356	7.5
105.04486	4.0
105.07040	10.7
106.06525	4.2
107.04926	18.4
107.08564	33.1
108.08122	3.6
109.02869	6.0
109.06550	2.5
109.12492	1.8
115.05432	4.0
117.03356	46.7
117.05714	2.5
117.06999	7.0
118.06467	2.0
119.04884	1.7
119.08570	4.2
121.06491	3.9
121.10109	16.1
127.03896	9.0
130.06514	9.4
130.07779	1.6
131.04892	17.2
132.08069	11.1
133.02840	9.3
133.06450	2.1
135.04398	94.6
135.08026	6.7
135.11690	5.1
136.04765	2.3
136.07550	11.0
145.02843	35.3
145.03888	2.3
145.06474	2.2
145.10049	7.8
163.03874	100.0
163.07524	11.7
163.11139	12.5
163.12328	7.7
163.14743	12.1
164.04190	2.1
164.07051	12.7
181.02802	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02363	1.0
52.16288	0.9
53.03920	1.3
55.05505	7.9
57.07072	6.0
60.49386	0.8
65.03921	1.2
67.05492	2.6
69.03419	1.4
69.07059	54.4
69.27769	3.4
69.28159	1.4
71.08606	1.1
77.03928	2.0
79.05486	18.4
81.07059	6.4
83.08618	8.3
85.02898	2.7
87.58572	0.9
89.03909	10.7
91.05476	14.3
93.00725	0.9
93.07028	31.3
95.04955	3.0
95.08593	10.6
98.74759	0.8
99.04417	1.2
100.62194	1.0
103.03931	1.0
103.05450	2.8
105.03387	1.9
105.04494	1.0
105.07024	14.2
107.04948	5.5
107.08580	100.0
108.08858	2.0
109.06494	3.8
109.10115	2.0
117.03353	10.2
117.07007	0.9
119.06070	2.4
119.08564	7.0
121.10125	57.8
122.10503	1.3
123.08089	0.9
130.06493	1.4
131.04930	1.1
132.08043	1.7
133.02821	1.3
133.10114	1.6
134.02864	0.9
135.04396	18.6
135.08015	1.1
135.11681	23.7
142.71912	0.8
145.02834	6.5
145.10132	1.0
148.12509	1.3
163.03876	19.8
163.07536	1.5
163.11142	3.0
163.12566	1.7
163.14798	42.2
164.07089	1.1
164.15143	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03935	1.5
55.05505	8.7
57.07061	6.3
65.03934	1.2
65.49519	0.7
66.03120	0.6
67.05497	2.5
69.03429	1.0
69.07059	52.7
70.07374	0.7
71.04974	0.7
71.08627	1.0
77.03925	2.3
77.33530	0.6
79.05482	16.8
80.05033	0.8
81.03409	0.7
81.07037	7.9
83.08607	9.5
85.02911	3.6
89.03909	9.3
89.36667	0.6
91.05467	15.1
92.06272	0.6
93.06441	1.6
93.07034	31.7
95.04955	4.1
95.08599	10.8
99.04423	0.9
101.66792	0.6
103.03910	1.7
103.05455	4.3
105.03376	1.5
105.04498	2.6
105.07015	15.2
106.06580	1.4
107.04933	4.2
107.08578	100.0
108.08820	0.8
108.09438	1.0
109.06503	3.3
109.10168	1.6
115.05418	0.7
117.03378	6.5
117.05708	0.8
117.07020	2.0
118.03667	0.9
119.06036	1.3
119.08559	6.5
120.08128	0.8
120.09322	1.1
121.10128	54.2
122.10479	1.2
123.08041	1.6
127.03866	1.1
130.06487	2.2
131.04926	4.3
132.08069	2.5
133.02806	1.4
133.07532	1.6
133.10123	1.4
134.10895	0.7
134.84288	0.7
135.04393	13.8
135.08015	1.5
135.11673	22.4
136.07556	1.3
145.02826	5.1
145.03860	0.8
145.10117	2.8
148.12494	1.1
163.03894	18.4
163.07521	2.1
163.11180	3.4
163.12387	1.6
163.14799	35.0
164.07053	1.2
164.15109	1.4
165.02928	0.8
180.63969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04611	0.8
53.03940	1.6
55.01880	0.9
55.05504	10.1
57.03423	1.6
57.07063	2.5
65.03929	1.0
67.05493	3.7
69.03411	2.0
69.07059	31.3
71.08617	0.8
77.03917	2.1
79.05481	21.0
79.05943	1.2
80.05023	0.7
81.07048	17.2
83.08607	7.7
85.02894	2.8
89.03896	4.4
91.05466	20.0
92.05780	0.8
93.07033	39.6
94.07332	1.0
95.04952	6.7
95.08599	16.7
97.02856	0.9
103.05452	19.6
105.03391	2.5
105.04501	2.0
105.07021	14.7
106.06549	1.0
107.04939	14.9
107.08578	100.0
108.08120	0.6
108.08864	1.4
109.06501	3.4
109.10139	1.4
115.05462	2.4
117.03381	3.6
117.05727	1.2
117.07006	3.9
119.06076	2.0
119.08553	7.1
120.05771	0.8
120.08033	0.8
121.06481	2.1
121.10128	53.1
122.10471	1.0
123.08041	1.9
130.06511	2.8
130.07771	3.5
131.04910	19.8
132.08063	4.0
133.02852	3.1
133.10150	1.0
135.04408	9.2
135.08014	4.0
135.11667	24.3
136.07530	2.6
136.12094	0.7
143.08496	1.0
145.02840	1.5
145.06461	1.7
145.10124	9.2
148.08849	0.9
163.03880	16.9
163.07527	12.4
163.11140	11.7
163.12386	1.7
163.14801	50.4
164.07033	2.6
164.15152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90702	0.3
64.45679	0.4
69.65663	1.3
82.01449	0.5
82.99821	4.1
100.02479	1.4
101.00863	38.2
102.00970	1.4
104.41569	0.3
107.95308	0.4
110.36947	0.4
119.01901	100.0
120.01980	3.0
121.81738	0.3
123.49932	0.3
124.02416	5.9
137.02936	19.7
138.03008	0.7
142.03476	58.8
143.03726	1.7
160.04530	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	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05003	0.4
56.48026	0.3
56.96562	1.9
57.03425	0.4
57.05783	0.5
61.33984	0.4
65.23710	0.3
67.31241	0.3
69.03397	0.4
70.93171	0.4
72.11198	0.3
76.78739	0.3
77.29121	0.4
82.99821	2.4
91.05450	1.5
93.07004	0.9
95.04932	0.8
98.97547	0.5
100.02466	0.9
101.00863	34.6
102.00964	1.2
103.05432	0.4
108.04468	0.5
109.06574	0.4
109.59941	0.3
115.02384	0.4
118.03491	0.6
119.01899	100.0
119.04917	1.2
120.01981	3.6
120.08065	0.6
121.02337	0.6
121.06472	5.2
123.04424	2.1
124.02430	5.1
131.04880	0.9
133.03453	0.4
135.04344	0.4
136.07640	0.4
137.02937	23.9
137.05948	4.9
137.07869	1.0
138.03021	0.7
138.05428	0.5
142.03474	65.9
143.03636	2.1
147.04337	0.6
147.06245	0.5
148.07545	0.5
149.05969	2.7
150.08650	0.4
150.52415	0.3
153.05768	0.3
160.04532	17.0
161.01176	0.6
161.04718	0.4
164.07053	0.9
165.05167	1.5
165.07437	3.5
165.10992	1.1
166.07245	0.7
166.08601	7.4
166.12303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
51.02384	0.4
53.03942	1.2
55.01867	5.3
55.05487	0.4
65.03929	1.3
66.86078	0.4
67.05501	3.2
69.07066	0.7
69.19344	0.4
69.99268	1.2
77.03918	1.5
79.05482	17.7
81.03410	0.7
81.07037	3.7
82.99847	0.4
91.05460	3.9
93.03406	0.6
93.07034	1.1
94.04161	1.3
95.04954	5.0
95.08598	3.1
98.22819	0.6
101.00871	4.9
103.05450	12.7
105.04501	1.5
105.07014	100.0
106.07361	2.7
107.04933	0.9
107.08586	1.2
109.02859	1.0
109.06490	4.1
109.10131	4.6
111.04428	1.8
111.94701	0.3
115.05448	1.6
119.01901	16.8
119.04935	0.8
119.08581	2.5
120.01998	0.6
120.08106	0.5
121.06499	0.7
121.10160	0.4
122.03618	5.1
122.07272	1.7
123.04444	0.5
123.08035	0.9
123.11721	0.9
124.02443	0.9
124.05204	3.7
131.04913	0.5
133.02817	0.9
133.06471	82.5
134.06819	2.2
135.08028	0.4
137.03004	4.3
137.05956	59.4
137.09578	9.5
138.05403	0.7
138.06308	1.6
141.90776	0.4
142.03479	10.5
142.04526	0.7
143.03635	0.4
147.04370	1.8
147.08055	0.6
147.11668	1.0
150.06770	1.3
160.04521	3.0
164.55321	0.4
165.05374	1.2
165.09093	19.5
165.12735	3.6
165.16396	0.5
166.04996	1.2
169.03766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.0
55.05494	2.2
59.04993	47.4
65.03939	1.2
67.05492	3.1
69.03420	1.2
69.98680	0.5
70.06573	1.1
79.05476	1.7
80.94968	1.0
81.07057	3.3
82.99833	2.0
85.02895	0.6
85.91326	0.6
89.06024	6.2
91.05463	6.0
91.11686	0.5
93.07022	2.1
94.04149	1.0
95.04945	3.3
95.08584	2.0
101.00865	17.0
103.07570	9.9
105.03407	0.7
105.07011	3.8
107.04939	1.8
107.08605	0.9
109.06484	2.2
109.07633	0.7
109.10136	1.8
117.07038	1.0
119.01903	100.0
119.04926	3.7
119.08579	7.1
120.01974	4.1
120.08078	4.3
121.06483	1.8
121.10117	0.7
122.03634	0.7
122.07275	0.6
123.04453	3.1
123.08091	2.9
124.02407	3.0
133.02811	3.3
137.02943	40.0
137.05945	5.1
137.07976	0.8
137.09595	2.3
138.03046	1.9
138.05481	2.3
142.03481	60.5
142.96716	1.0
143.03656	1.9
147.04393	5.5
147.05444	1.0
147.08031	2.7
147.11571	1.4
148.07582	0.7
149.05998	0.6
150.03076	0.8
160.04538	20.8
160.96001	0.8
165.01819	1.1
165.05499	6.1
165.07434	2.1
165.09079	3.8
165.10205	1.3
165.12692	1.1
166.05016	1.7
166.08615	1.3
169.03691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0497
Annotation	4-Hydroxy-2H-1,4-benzoxazin-3(4H)-one
Peak:m/z	Relative Intensity
54.03465	0.8
54.44174	0.6
55.05510	0.7
65.03923	1.2
67.04232	3.8
68.02642	1.6
69.03424	1.0
69.38397	3.4
70.02950	0.9
76.43320	0.7
78.03452	4.3
80.01366	2.2
80.05000	1.4
82.06551	1.2
83.04967	2.8
83.93021	0.8
88.80603	0.7
90.08310	0.6
92.05020	0.8
93.07047	0.8
95.03698	3.9
95.05022	0.7
96.02099	9.3
101.00869	1.8
102.00900	3.9
103.00616	1.8
103.44567	0.7
106.02911	5.8
108.04465	0.7
109.05236	1.7
110.06027	5.7
111.04427	53.9
112.04766	1.2
118.96622	0.7
119.01924	6.9
120.01985	14.8
120.08093	3.0
121.01680	4.4
121.06484	2.0
123.03172	4.0
135.08084	1.2
137.02927	2.0
137.05981	0.7
138.03159	6.7
138.05478	99.2
139.02718	1.7
139.05835	2.2
142.03439	1.9
142.96671	2.0
143.03598	11.0
144.03220	2.4
149.09598	0.8
151.02670	0.8
161.04620	3.7
162.04323	0.8
166.04974	100.0
166.08629	2.4
167.05284	2.4
179.85136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0498
Annotation	2-Hydroxy-1,4-benzoxanzine-3(2H)-one
Peak:m/z	Relative Intensity
53.03928	0.4
54.03472	3.5
55.01862	0.7
55.05487	1.1
65.03938	8.3
67.04238	10.6
67.05495	3.5
67.75785	0.4
68.04976	0.5
69.03415	0.7
69.07051	0.6
69.17324	2.3
78.03426	0.4
78.04288	0.4
78.04694	0.7
79.05479	1.8
80.05009	4.7
81.03397	0.5
81.07043	1.2
82.02934	20.4
82.06579	3.1
83.04978	0.6
83.93031	0.4
86.95060	0.4
91.05479	5.1
92.04999	7.3
93.03387	1.8
93.07023	2.3
93.69230	0.4
95.03699	35.5
95.04965	1.4
95.08586	1.2
96.04514	0.9
102.00969	0.8
103.05465	1.2
105.07012	0.7
106.02901	0.8
107.08588	1.3
108.04470	2.6
108.08076	0.7
109.05228	1.4
109.06507	0.9
110.01614	0.8
110.02391	17.2
110.06030	13.8
110.09636	0.7
111.04433	8.2
117.27631	0.4
119.01899	1.8
120.01974	6.1
120.04473	3.7
120.05259	0.7
120.08097	5.0
120.08891	0.8
121.01646	1.4
121.02925	0.6
121.06499	1.9
121.10093	1.2
123.03157	45.2
123.08064	1.0
124.03546	0.5
124.05200	0.5
125.09550	0.4
131.08513	0.8
136.03929	1.2
136.07552	0.9
137.02942	0.7
137.05978	0.7
137.08313	1.1
138.01915	0.6
138.03024	1.8
138.05464	5.2
138.06323	0.6
138.09105	1.0
139.02704	0.8
142.03494	0.6
142.96663	1.1
143.03603	4.5
144.03252	1.0
148.03847	1.0
148.11220	1.0
149.05949	0.5
149.09651	0.8
151.02644	8.3
152.03404	0.5
154.25131	0.5
161.04698	1.5
162.04320	0.6
166.04980	43.7
166.08577	6.2
166.12184	0.7
167.05370	1.1
167.07027	6.2
167.10539	0.7
169.03683	100.0
170.04060	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	166.0863
Annotation	Tricaine
Peak:m/z	Relative Intensity
53.03935	0.5
55.01869	0.6
55.05495	0.3
56.05029	0.2
56.96557	6.5
57.03431	0.6
57.05809	0.6
57.32963	0.2
58.06583	0.3
61.02934	0.2
65.03941	0.6
67.05495	1.1
69.03413	0.9
70.06590	0.4
71.05005	0.2
71.95255	0.4
73.02911	0.4
74.02427	0.3
75.23273	0.2
77.03936	0.5
79.05499	1.7
80.05001	0.5
80.94949	0.3
81.03404	0.7
81.07070	0.4
82.06567	0.6
83.04971	0.3
84.96023	0.2
85.02885	0.9
85.06539	0.8
90.51332	0.2
91.05473	9.1
92.05801	0.6
93.07030	3.1
94.06569	0.4
95.04957	4.2
95.06067	0.2
96.04503	0.4
96.05292	1.2
96.84483	0.2
97.02879	1.1
98.97572	2.2
99.04444	0.2
101.00894	0.3
102.00970	0.3
103.02408	0.2
103.05457	7.1
104.05789	0.5
105.03864	0.2
105.04517	0.6
106.04825	0.2
106.06538	1.1
106.96575	0.2
107.04922	2.0
109.02847	0.5
109.06509	0.9
110.06037	1.2
110.09711	0.2
110.97572	0.4
111.04444	0.4
113.02358	0.7
113.05988	0.7
115.02409	0.4
116.98624	1.3
118.43455	0.2
119.01895	1.1
119.04935	4.2
120.01990	2.0
120.04469	0.3
120.05265	0.9
120.08091	7.7
121.01656	0.6
121.06491	53.0
122.06785	0.9
123.04416	11.7
124.04702	1.4
124.07619	0.2
127.03946	0.2
128.98602	0.4
130.06494	0.3
131.00154	0.3
131.01863	0.2
131.04910	11.0
133.03490	0.2
133.05177	1.3
134.05980	2.2
134.99603	0.3
135.04369	0.6
136.06160	0.4
137.05959	60.7
138.03056	0.7
138.05460	2.8
138.06339	1.3
138.08147	0.3
142.03435	0.2
143.00153	0.5
143.03600	1.2
144.03279	0.4
145.03458	0.2
146.99591	0.3
147.05017	0.2
148.03825	0.3
148.04935	0.3
148.07547	3.3
149.05960	41.5
150.06343	0.9
150.97009	0.2
151.06288	1.6
157.01646	0.2
157.03362	0.2
158.99655	0.5
160.04620	0.2
160.97542	0.2
161.01190	1.1
161.02943	0.5
161.04704	0.2
165.07391	0.3
166.05025	3.9
166.07506	3.5
166.08611	100.0
167.05620	0.4
167.06927	0.4
167.09029	2.5
168.98076	0.5
175.04373	0.3
177.00694	0.4
179.02255	0.4
179.03865	0.2
186.99188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.83903	0.2
58.92388	0.1
69.58673	0.6
69.60207	0.1
75.08991	0.1
77.03919	0.3
79.05474	1.0
91.05465	0.8
93.07030	2.4
95.04955	0.3
97.02842	0.2
98.22700	0.3
103.05453	10.2
104.05797	0.4
107.04944	2.2
118.06572	0.2
119.07275	0.2
120.08087	100.0
121.06497	2.1
121.08430	2.3
124.68021	0.2
131.04895	2.3
149.05975	0.6
166.08621	1.3
166.12207	0.3
175.90074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1225
Annotation	4091-50-3
Peak:m/z	Relative Intensity
52.38187	0.1
55.05486	0.2
69.11242	0.2
69.36707	0.6
69.37108	0.3
77.03922	0.5
79.05480	5.9
91.05438	0.8
95.04946	0.7
103.05456	4.6
105.03371	0.3
105.07014	24.5
106.07348	0.6
107.04947	0.3
107.08588	0.5
114.58498	0.2
119.04919	0.3
120.05714	3.9
120.08051	0.2
130.71127	0.2
135.08031	100.0
136.08368	2.9
165.02739	0.2
166.08597	0.3
166.12283	0.8
167.06999	0.2
186.73488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1225
Annotation	Hordenine
Peak:m/z	Relative Intensity
51.02354	0.2
53.03936	0.5
53.11945	0.2
55.01865	0.2
55.05505	0.9
56.96556	2.5
57.03409	0.2
58.06599	0.3
62.32116	0.2
64.95956	0.2
67.05498	0.3
69.03428	0.5
69.67097	0.6
73.02898	0.3
73.06548	0.7
77.03921	0.7
79.05474	0.3
81.03397	0.3
84.08121	0.2
85.02892	0.7
87.04481	0.3
91.05468	5.0
93.07029	9.5
94.07352	0.2
95.04945	1.8
97.02854	0.9
98.97560	1.8
101.00857	0.6
102.00908	1.0
103.00617	0.5
103.05451	6.5
103.25900	0.2
104.05819	0.2
105.04491	0.7
106.96539	0.5
107.04902	0.3
110.03087	0.3
116.98581	0.6
119.01888	1.9
120.01988	4.1
120.08071	1.0
121.01641	1.3
121.06483	100.0
122.06812	2.3
123.04427	0.4
124.97634	0.4
124.99152	0.2
125.02576	0.2
128.02330	0.2
129.02187	0.2
131.04919	0.4
135.04366	0.2
137.02881	0.5
137.05946	1.4
138.03067	1.2
138.05434	0.4
138.08125	0.2
139.02647	0.4
142.03502	0.8
142.98695	0.2
143.00081	0.2
143.03572	3.1
144.03230	0.8
147.03247	0.8
148.07538	0.5
149.02345	0.2
149.05971	0.8
151.06154	0.3
155.04616	1.4
155.70244	0.2
158.99677	0.8
161.01213	0.3
161.04648	1.1
162.04242	0.3
164.05168	0.5
165.04369	0.6
166.04950	0.7
166.07428	0.5
166.08633	3.1
166.12245	8.2
167.06947	0.3
167.12625	0.2
177.00659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.01583	0.3
51.04553	0.3
52.03141	0.4
53.03936	0.8
55.05494	0.6
57.03401	0.3
65.03924	0.8
66.04704	0.9
67.05487	1.1
69.07047	0.8
69.41863	1.4
71.04967	0.4
71.86465	0.2
77.03931	0.7
78.04700	17.0
79.05040	0.5
79.05484	5.6
81.03386	0.5
81.07034	1.6
83.04959	0.8
83.08617	0.3
84.96014	0.6
84.99570	0.3
85.02916	0.3
90.29926	0.3
91.05457	1.2
93.03386	0.7
93.07030	1.0
94.04161	1.2
95.04962	3.7
96.05710	0.9
98.98459	0.4
103.00620	1.0
105.03375	1.1
105.04506	1.1
106.04162	7.3
106.04805	0.2
107.04953	3.3
107.08572	0.9
109.02848	1.0
109.06485	0.9
109.10119	0.3
111.04393	0.4
120.02038	0.5
121.01656	5.3
121.06463	0.7
121.07584	0.5
121.10130	0.8
122.03628	3.6
123.04414	28.8
124.05208	8.5
134.03618	2.7
135.04364	0.9
137.02345	0.4
137.05965	1.1
138.03084	0.5
139.02681	1.8
139.05791	0.3
139.07529	0.4
144.03204	3.3
149.02318	0.7
149.07069	0.4
149.09575	0.4
151.03891	6.4
152.04677	5.6
152.05963	0.4
162.04312	1.1
165.05505	0.3
167.07013	100.0
168.04210	0.9
168.07394	2.7
180.72704	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03932	0.7
55.05510	2.3
57.02399	0.6
57.07056	0.5
65.03932	0.7
66.04707	0.5
67.05498	1.5
69.03416	1.0
69.07050	1.1
71.04979	0.6
77.03911	0.9
78.04700	17.8
79.05032	0.8
79.05476	9.2
81.03420	0.7
81.07047	3.7
83.04962	1.8
83.08596	0.4
91.05460	1.8
91.16042	0.5
93.07023	7.3
94.04150	0.8
95.04948	5.0
95.08607	1.1
96.05722	1.4
103.00575	0.6
105.03373	1.0
105.04475	1.2
105.07040	0.7
106.04167	7.8
107.04942	5.4
107.08588	2.4
109.06509	1.4
109.10117	0.8
111.04359	0.6
111.08081	0.8
117.18260	0.4
120.02127	0.5
121.01665	1.5
121.06558	0.6
121.07571	0.5
121.10131	7.3
122.03641	3.5
123.04413	28.6
123.11677	1.1
124.05218	8.6
125.05968	0.5
125.09633	0.6
134.03598	2.5
135.04416	1.5
137.05943	1.4
138.03061	0.5
139.02623	0.7
139.07512	0.7
144.03214	1.1
147.80186	0.4
149.02328	0.8
149.09625	1.6
149.13216	0.6
151.03883	4.6
152.04665	5.8
167.07011	100.0
167.14268	0.8
168.04176	0.6
168.07379	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	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03163	0.3
53.03936	0.3
55.01859	0.3
66.04705	1.1
67.05483	0.9
69.15727	0.6
69.16128	1.2
77.03907	0.8
78.04704	16.3
79.05041	0.7
79.05475	5.4
81.03390	0.3
81.07045	1.2
91.05499	0.7
93.03369	0.4
93.07002	0.4
94.04169	1.3
95.04962	3.1
96.05735	1.0
105.03384	1.0
105.04462	0.6
106.04159	7.7
107.04938	3.7
107.08588	0.5
109.02859	0.7
109.06518	0.6
111.08076	0.4
120.02068	0.4
121.01691	0.3
121.06438	0.5
122.03628	4.0
123.04414	27.5
124.05213	8.5
134.03610	2.4
135.04381	0.6
137.05940	1.6
144.03233	0.4
147.49680	0.3
149.02353	0.4
150.03113	0.5
151.03883	5.6
152.04688	5.3
167.07013	100.0
168.04141	0.6
168.07368	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	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.40055	0.8
53.03925	2.9
55.01853	2.8
55.05503	100.0
55.40498	0.8
57.03419	2.4
57.07060	3.4
59.04989	10.1
60.67937	0.9
64.53044	0.7
67.05160	0.9
67.05496	16.1
69.03417	20.2
69.07053	10.2
70.06579	2.0
70.79649	1.4
71.04974	3.5
73.06537	1.2
78.04681	1.5
79.05473	9.6
81.07044	15.7
83.04967	87.7
83.08603	37.4
84.05274	1.2
85.06524	7.8
91.05467	4.3
93.07030	10.6
94.15314	0.7
95.04942	2.9
95.08588	7.9
96.04013	1.0
97.06517	4.4
97.10143	9.4
99.08059	2.8
105.06997	4.7
106.07346	2.8
107.04927	2.2
107.08575	22.1
109.06513	1.5
109.10137	16.4
111.08060	26.3
112.08862	6.9
113.09629	2.5
119.06085	1.0
120.09438	0.9
121.01694	1.3
121.10136	15.1
122.54156	0.8
123.04408	3.4
123.08047	1.9
123.11697	7.0
124.03504	1.5
125.09618	11.2
135.08040	2.1
136.03883	1.1
136.08377	8.2
147.10031	0.9
149.09592	3.1
149.13188	4.3
167.05344	2.5
167.07016	10.5
167.10649	1.6
167.14282	32.7
170.03998	3.4
180.84767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01873	3.2
55.05505	96.9
57.03429	1.9
57.07065	2.8
59.04994	10.2
65.03924	5.6
65.04230	1.5
67.05495	17.7
69.03417	26.1
69.07050	9.7
69.30331	1.5
69.41097	5.4
70.06602	1.7
71.04994	4.6
78.04708	3.6
79.05495	11.8
81.07053	16.6
83.04971	100.0
83.08610	38.8
83.38272	1.6
84.05334	2.0
85.06520	7.7
91.05475	5.9
93.03378	1.9
93.07024	11.9
95.01357	2.0
95.04964	4.4
95.08588	7.7
96.02083	7.5
97.06531	5.5
97.10172	8.4
99.08096	1.8
105.07018	3.5
106.07333	2.6
107.04971	2.1
107.08588	16.6
109.06506	3.2
109.10153	24.0
111.04427	5.3
111.08063	25.4
112.08856	9.3
113.09637	4.5
121.01684	2.0
121.02882	2.5
121.10143	14.8
123.04420	6.1
123.08039	2.2
123.11703	8.2
124.01541	18.3
125.09629	14.3
135.08086	1.6
136.08363	10.9
149.09668	2.4
149.13245	8.0
152.00998	11.2
152.04703	2.3
164.71898	1.8
167.03392	21.9
167.07022	23.6
167.10696	2.0
167.14287	36.3
170.02077	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	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03939	3.1
55.01858	3.6
55.05505	84.7
56.05837	1.1
57.03427	3.1
57.07067	5.0
59.04991	8.9
65.03920	0.7
67.05495	16.3
69.03423	21.6
69.07059	9.6
69.89129	1.6
69.89479	1.2
71.04987	2.2
71.08615	0.9
73.06543	1.0
75.34052	0.6
78.04707	2.5
79.05474	5.8
81.07047	18.2
81.07496	1.3
83.04971	100.0
83.08610	33.6
84.05306	1.3
85.06540	8.0
91.05467	4.1
91.56077	0.8
93.07030	8.0
95.04950	2.3
95.08599	5.7
97.06519	4.0
97.10161	8.7
99.08077	2.2
100.11408	0.7
105.07011	2.7
106.04151	1.4
107.04929	2.0
107.08578	14.8
109.06474	1.1
109.10140	20.0
110.43863	0.7
111.08065	24.3
112.08871	5.8
113.09633	3.8
121.06467	1.2
121.10135	11.4
123.04407	3.1
123.08083	1.0
123.11700	7.4
124.05199	2.0
125.09610	16.1
128.01448	0.7
135.04271	0.7
139.11127	1.0
149.13252	4.6
151.03972	1.1
152.04703	1.4
167.07018	14.8
167.14301	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1018
Annotation	Epinine
Peak:m/z	Relative Intensity
50.80774	0.2
53.03928	0.5
54.32348	0.2
55.01857	0.4
56.96556	10.0
57.03418	0.4
59.04979	0.3
61.02911	0.3
65.03918	1.2
67.05491	1.0
69.03423	1.5
69.07048	0.5
70.06590	0.4
71.04970	0.3
71.20480	0.2
73.02896	0.9
74.97588	0.3
79.05474	1.1
81.03407	0.8
81.07028	1.0
84.96011	0.7
85.02892	1.3
87.04460	0.4
87.08071	0.3
91.05463	34.8
92.05812	0.8
92.74901	0.3
93.07027	0.4
94.06549	2.8
95.04961	0.7
95.06061	0.3
96.03380	0.3
96.04485	0.4
97.02872	1.8
97.07632	0.8
98.06021	0.3
98.22763	0.3
98.97569	3.4
101.00847	0.5
101.62010	0.2
103.00632	0.3
104.04999	0.7
105.03834	0.4
106.06532	0.7
107.04936	1.0
108.04501	0.3
109.02889	0.3
109.06491	2.4
110.01270	0.4
110.97561	0.3
112.99108	0.7
115.00720	0.3
116.98602	1.6
119.01864	0.9
119.04919	22.2
120.05260	0.5
121.01632	1.4
122.01997	0.6
122.06002	2.9
123.02105	0.3
123.04413	0.4
123.97411	0.3
124.04721	0.3
126.06602	1.0
127.03902	0.3
128.02296	0.5
128.98625	0.4
131.00131	1.0
132.04414	1.4
134.05994	0.7
134.99635	0.6
135.06789	0.7
137.05949	100.0
138.06274	2.1
139.02708	0.5
140.07088	0.6
140.10696	0.3
143.03781	1.0
144.98065	0.4
145.01765	1.7
145.03529	1.0
148.51097	0.2
149.01196	0.7
150.05473	12.0
150.09105	2.6
151.06119	0.6
152.07054	2.2
154.04854	0.3
154.59125	0.3
158.01245	0.3
158.99686	0.6
161.01152	0.4
161.04831	1.8
162.99115	0.7
163.02762	2.5
163.04488	0.6
168.03685	0.6
168.05290	1.7
168.06561	2.4
168.08833	0.4
168.10129	4.0
168.11353	0.5
168.55551	0.3
173.01218	0.3
173.04829	0.8
174.04378	0.4
177.00723	0.3
177.05952	0.5
178.67032	0.3
181.03796	0.7
186.99130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03930	0.5
55.01867	0.8
55.05509	0.9
67.05476	0.3
68.99776	3.7
69.03415	0.9
70.06574	1.8
70.70135	0.5
71.04978	0.4
78.00511	0.3
81.03399	0.8
81.07043	0.7
83.04948	0.4
85.02888	0.4
85.06553	0.3
91.05425	0.5
95.04935	0.8
97.02860	1.9
98.03664	3.0
99.04440	0.8
109.02847	1.4
111.00782	28.6
111.04414	0.8
112.01080	0.3
113.05990	0.4
123.04391	2.2
125.02357	0.6
126.03112	33.3
127.03384	0.5
141.05437	100.0
142.05777	2.1
151.03868	0.3
169.04929	44.2
170.05301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
55.05477	0.2
57.07066	2.0
57.39494	0.1
60.04530	0.2
63.12641	0.1
67.05455	0.1
72.04514	0.6
73.60255	0.1
82.94550	0.1
86.06071	0.9
86.09693	100.0
87.10026	1.3
89.07142	0.2
105.58433	0.1
116.10715	0.9
128.10701	18.6
129.11046	0.4
134.96765	0.1
142.12300	0.3
170.09558	0.2
170.11734	2.8
170.13055	0.2
171.14909	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	171.065
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
55.01864	2.0
55.05505	5.1
56.96558	1.8
65.03933	27.8
67.05496	3.1
68.99782	8.4
69.03419	1.6
69.07060	1.4
69.13516	2.1
70.94246	0.9
71.04977	0.8
72.04513	6.7
73.61577	0.4
79.01846	0.5
79.05475	0.5
81.03403	4.7
81.07034	0.9
83.04970	12.5
83.08610	1.7
86.09685	0.5
88.95311	0.4
89.07137	4.0
93.03395	8.2
93.07043	1.0
95.04976	0.8
95.08597	0.5
96.02100	1.8
97.02867	1.6
97.06509	0.8
98.97574	3.9
101.04259	0.4
107.08588	0.6
110.03593	0.5
111.04430	95.3
111.08085	1.1
112.04762	1.9
116.98616	3.5
121.02856	1.8
121.03972	11.6
124.07572	0.5
125.02345	0.6
125.05947	0.7
125.09691	0.5
127.03855	0.5
134.99635	1.8
135.08049	0.5
139.03882	100.0
140.04231	1.9
153.01793	1.4
153.06493	0.4
153.09024	0.6
154.08615	1.6
156.09364	0.5
170.35640	0.4
171.06537	5.4
171.10010	1.0
171.11433	0.6
171.14938	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	171.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.3
55.05502	21.5
57.03428	69.3
57.07061	2.1
61.97280	1.4
67.05495	49.3
69.07058	57.3
70.79430	2.0
71.04987	8.2
72.04498	6.9
73.06536	2.6
79.05484	4.8
81.07036	14.3
83.04960	7.3
83.08602	24.3
85.06538	3.3
89.07130	4.4
91.05435	1.5
93.07019	5.0
95.04959	3.2
95.08595	3.2
97.06508	12.5
104.69540	1.4
105.07017	2.1
107.08582	7.2
109.10139	100.0
110.10476	2.7
111.08073	14.9
112.98573	1.6
115.05360	2.0
125.09578	1.5
127.11157	22.8
128.06219	6.8
129.06985	3.6
135.11644	3.3
141.06972	15.6
142.07735	4.6
143.08543	14.1
153.12700	5.9
155.08522	5.8
156.09315	93.1
157.09673	3.8
171.07977	1.8
171.10165	2.6
171.11659	53.6
171.14931	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	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
55.01612	1.3
55.01866	16.5
55.05506	17.7
57.03431	53.9
57.07062	1.8
59.04987	0.8
60.45530	0.9
62.87232	0.9
65.03941	1.0
67.05496	40.8
67.05857	2.0
69.03416	1.0
69.07059	57.4
69.25703	5.4
70.07399	1.0
71.04986	5.0
71.62550	0.8
72.04520	4.4
73.06537	2.0
79.05476	3.8
81.07045	13.5
81.58263	0.8
83.04970	7.1
83.08606	22.3
85.06528	2.3
89.07143	3.1
91.05509	1.0
93.07036	6.6
95.04939	0.9
95.08590	7.6
97.06519	9.9
98.22647	1.6
99.08019	1.0
101.06008	1.6
107.08581	8.3
109.10142	100.0
110.10475	2.2
111.08076	10.7
112.08265	0.9
119.23544	0.9
125.09579	1.4
127.11176	23.8
127.12077	1.7
127.73912	0.8
128.06197	1.7
129.06970	1.2
135.11681	3.6
143.08545	2.7
153.12686	5.5
156.09322	5.7
171.11697	3.8
171.13716	1.7
171.14993	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.3
55.05502	21.5
57.03428	69.3
57.07061	2.1
61.97280	1.4
67.05495	49.3
69.07058	57.3
70.79430	2.0
71.04987	8.2
72.04498	6.9
73.06536	2.6
79.05484	4.8
81.07036	14.3
83.04960	7.3
83.08602	24.3
85.06538	3.3
89.07130	4.4
91.05435	1.5
93.07019	5.0
95.04959	3.2
95.08595	3.2
97.06508	12.5
104.69540	1.4
105.07017	2.1
107.08582	7.2
109.10139	100.0
110.10476	2.7
111.08073	14.9
112.98573	1.6
115.05360	2.0
125.09578	1.5
127.11157	22.8
128.06219	6.8
129.06985	3.6
135.11644	3.3
141.06972	15.6
142.07735	4.6
143.08543	14.1
153.12700	5.9
155.08522	5.8
156.09315	93.1
157.09673	3.8
171.07977	1.8
171.10165	2.6
171.11659	53.6
171.14931	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	172.028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67329	0.2
54.98639	0.4
55.05514	1.5
56.17073	0.3
56.96562	27.7
57.97328	0.4
60.70334	0.2
69.07037	0.3
71.95255	1.7
72.04510	1.1
73.06555	0.3
74.97612	0.3
83.04981	1.0
89.07152	0.4
89.90684	0.3
98.97575	100.0
99.97924	0.6
101.00903	0.6
101.06010	0.8
107.64523	0.3
111.04420	1.2
112.99096	0.6
116.98612	90.1
118.03500	0.3
118.92122	0.3
119.01901	2.1
121.01652	1.7
128.98593	0.7
129.05457	0.5
130.93326	0.5
131.00116	1.1
134.99646	58.4
136.00096	0.5
136.48854	0.7
136.93086	0.8
137.02937	0.8
139.02672	0.5
140.00139	1.5
142.03441	0.4
144.03233	0.7
146.17383	0.3
146.99660	1.1
147.95840	0.3
149.01213	2.7
149.04753	0.4
149.10478	0.5
153.00696	8.5
154.94156	1.7
155.07072	0.7
158.01262	1.3
158.10991	0.4
159.05042	0.4
167.02249	0.5
168.02795	0.3
171.14925	0.3
172.02824	0.8
172.04506	0.3
172.09648	0.3
172.95258	3.6
173.06660	0.4
173.08104	1.1
174.86755	0.3
179.99083	0.4
190.03883	2.7
190.96463	1.4
191.07544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03964	0.4
55.05500	8.2
59.04985	2.1
67.05484	1.7
69.03447	0.4
69.12733	0.9
69.13139	1.4
71.80328	0.4
72.93775	2.3
76.02236	0.8
81.07047	0.5
82.53958	0.4
83.04969	8.8
83.05427	0.6
87.04484	0.6
89.02402	0.5
90.90412	0.4
90.94794	2.1
91.05472	2.5
91.85967	0.4
95.06096	0.5
97.02919	0.4
98.22708	0.8
99.04453	0.4
99.10033	0.3
101.06007	6.8
103.03300	1.1
105.07011	2.3
108.95880	0.7
111.04427	10.2
111.66254	0.3
111.98437	0.5
113.06008	1.2
114.25050	0.4
115.05454	1.4
116.06186	0.4
117.07014	1.7
119.08566	8.8
125.36815	0.3
127.07536	1.1
128.06218	0.8
129.05484	4.3
129.06967	3.7
130.07776	1.6
131.08548	16.8
132.08907	0.5
132.95830	0.5
133.10121	4.3
141.06937	0.5
142.07748	1.2
143.08537	24.1
144.09337	3.7
145.06499	0.6
145.10103	13.0
149.96066	0.7
155.07018	7.4
155.08147	0.3
156.09375	0.9
157.10077	1.5
158.10892	48.1
159.11263	1.5
167.97137	0.8
171.11658	1.3
173.02338	0.5
173.08154	9.1
173.13232	100.0
174.13686	2.6
181.49791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.4
55.05500	8.2
59.04985	2.1
67.05484	1.7
69.03447	0.4
69.12733	0.9
69.13139	1.4
71.80328	0.4
72.93775	2.3
76.02236	0.8
81.07047	0.5
82.53958	0.4
83.04969	8.8
83.05427	0.6
87.04484	0.6
89.02402	0.5
90.90412	0.4
90.94794	2.1
91.05472	2.5
91.85967	0.4
95.06096	0.5
97.02919	0.4
98.22708	0.8
99.04453	0.4
99.10033	0.3
101.06007	6.8
103.03300	1.1
105.07011	2.3
108.95880	0.7
111.04427	10.2
111.66254	0.3
111.98437	0.5
113.06008	1.2
114.25050	0.4
115.05454	1.4
116.06186	0.4
117.07014	1.7
119.08566	8.8
125.36815	0.3
127.07536	1.1
128.06218	0.8
129.05484	4.3
129.06967	3.7
130.07776	1.6
131.08548	16.8
132.08907	0.5
132.95830	0.5
133.10121	4.3
141.06937	0.5
142.07748	1.2
143.08537	24.1
144.09337	3.7
145.06499	0.6
145.10103	13.0
149.96066	0.7
155.07018	7.4
155.08147	0.3
156.09375	0.9
157.10077	1.5
158.10892	48.1
159.11263	1.5
167.97137	0.8
171.11658	1.3
173.02338	0.5
173.08154	9.1
173.13232	100.0
174.13686	2.6
181.49791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13294	0.6
51.41343	0.8
55.05298	0.6
55.05505	5.4
59.04992	1.1
63.44557	0.6
67.05495	3.2
69.03410	0.6
69.07053	0.8
69.16248	2.0
69.16675	2.5
72.93779	1.2
74.44418	0.8
76.57207	0.6
79.05479	3.0
81.07054	3.2
83.04967	4.3
90.94811	1.5
91.05476	10.7
93.07030	1.2
97.02875	0.8
101.06011	3.8
105.07022	9.5
111.04433	5.3
113.05997	0.8
115.05448	2.0
116.06223	2.7
117.07022	7.4
119.08566	18.8
128.06219	2.4
129.05444	1.3
129.06981	11.3
130.07764	2.7
131.08554	61.8
132.08824	1.7
133.10059	2.2
141.06940	0.8
142.07762	1.4
143.08542	26.0
144.09334	10.1
145.10112	34.3
146.10487	0.7
155.06998	3.5
156.09335	2.2
157.10107	1.2
158.10898	29.9
159.11288	1.1
171.11685	1.8
173.08240	4.4
173.13237	100.0
174.13567	3.6
174.61131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03934	0.7
55.05503	5.9
56.51250	0.4
59.04973	1.2
65.03925	0.7
67.05486	2.8
71.44724	0.5
72.93764	1.8
79.05476	1.7
80.85969	0.5
81.07051	2.9
83.04967	5.8
84.04491	0.8
85.06500	0.6
89.02399	0.5
90.94809	1.1
91.05463	8.5
93.07021	1.3
95.06047	0.6
97.02867	1.1
97.06488	0.7
101.06000	3.8
103.05427	0.5
105.07011	8.3
111.04433	6.1
113.05965	0.7
114.11108	0.4
115.05449	1.5
116.06236	1.3
117.07011	5.3
119.08574	15.4
127.07469	0.6
128.06181	1.2
129.05453	1.6
129.06981	7.5
130.07758	2.2
131.08548	54.8
132.08894	1.3
133.10114	2.2
137.09564	0.5
142.07703	0.9
143.08543	20.0
144.09334	9.3
145.06433	0.7
145.10100	30.5
146.10388	1.2
155.07021	4.7
156.09299	1.3
157.10138	1.1
158.10889	33.2
159.11230	1.1
171.11642	2.4
173.08197	5.3
173.13235	100.0
174.13620	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	173.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78554	2.3
55.05497	20.8
69.07057	12.0
69.82783	4.3
71.08620	100.0
83.04963	9.2
91.05437	3.8
93.01405	2.7
99.08079	47.4
99.56023	2.8
99.81519	3.1
101.06010	7.1
111.04448	16.1
115.05431	2.8
117.06998	4.7
127.92516	2.7
129.12711	4.3
131.08583	9.1
143.08528	2.9
145.10107	7.4
155.07014	10.9
173.05873	3.8
173.08133	12.4
173.09610	7.0
173.13220	14.3
174.18503	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	174.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75811	0.3
52.96959	0.3
55.50306	0.4
57.07069	5.3
61.02917	3.6
69.56491	0.4
73.02896	0.7
83.81861	0.4
86.09693	100.0
87.10033	1.3
89.06010	2.3
97.02898	0.6
98.98464	4.3
105.07020	0.6
112.04823	0.4
119.08575	0.9
132.06578	0.7
132.08902	0.5
133.10110	0.5
146.11734	0.6
174.12775	1.4
174.14874	13.5
174.16336	0.8
175.14902	0.8
193.26773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
57.07067	23.1
58.06594	5.2
62.06079	19.1
69.07049	2.1
71.08620	16.0
75.47892	0.5
81.07016	1.1
84.04503	0.5
86.13478	0.5
91.05463	2.1
94.88603	0.4
95.08570	0.6
97.02879	1.4
98.98463	7.7
105.07024	3.0
114.05470	0.5
117.07005	0.9
119.04923	0.7
119.08558	7.4
124.59763	0.5
131.08591	0.8
132.95831	0.7
133.10086	5.5
145.10037	0.6
147.04439	0.6
147.11635	1.1
156.17453	15.5
160.05193	1.0
174.18504	100.0
175.07478	1.3
175.11157	1.1
175.14796	6.9
175.18806	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.06
Annotation	4-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
53.03934	7.5
54.49818	0.9
57.03443	1.9
57.29943	1.0
59.01387	1.0
66.63695	0.8
69.03422	42.5
69.07057	1.7
73.02903	14.2
81.07050	1.4
85.02892	11.3
87.04469	1.0
88.37925	0.9
91.05463	6.6
97.02880	100.0
98.03234	1.5
98.98456	15.5
105.07024	2.9
115.03915	63.9
119.08558	6.8
128.41356	0.8
129.06952	1.5
131.08621	0.9
133.10097	5.6
147.11679	1.1
157.04944	15.2
159.94000	1.0
160.05212	2.2
175.03877	1.0
175.07556	3.4
175.11214	2.0
175.14798	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	175.1189
Annotation	L-arginine
Peak:m/z	Relative Intensity
55.05516	0.5
56.96553	6.4
57.03407	0.4
57.07064	0.4
59.04972	0.3
60.04509	1.0
60.05637	36.8
61.05374	0.3
67.05516	0.4
68.05000	0.5
69.03416	1.1
70.06578	100.0
71.04979	2.8
71.06909	1.2
72.08144	5.1
73.02914	0.5
74.68001	0.4
74.93149	0.3
74.97585	0.6
83.05018	0.4
84.08128	3.4
84.96046	0.4
85.01374	0.4
85.02889	1.3
85.06527	0.8
87.04417	0.5
88.07602	0.8
89.96130	0.3
91.05452	0.8
95.04884	0.4
95.08586	0.4
97.02883	0.8
97.06538	0.3
97.07622	0.6
98.06020	0.6
98.97634	3.7
98.98447	29.8
99.04440	0.4
101.00858	2.2
101.05959	0.3
103.02425	2.6
105.07011	0.5
108.57420	0.3
110.97547	0.6
112.07541	0.5
112.08720	4.0
114.05518	0.9
114.09149	0.3
114.10242	0.6
115.02423	0.5
115.05859	1.9
115.08672	1.0
116.07068	25.4
116.97202	0.8
116.98594	3.7
116.99477	1.2
119.01900	9.9
119.08531	0.6
120.02066	0.4
121.01597	0.4
121.03464	1.1
123.08009	0.3
128.02197	0.4
128.98610	0.8
130.06509	1.2
130.08667	0.9
130.09734	13.6
130.12251	1.9
131.01895	0.6
132.02074	4.6
132.04427	0.6
133.03433	6.0
133.05003	0.4
134.99609	2.3
137.02939	3.5
143.01894	0.3
145.03471	1.5
146.99551	0.7
147.04362	0.4
150.99117	0.9
151.04482	2.7
153.00577	0.4
157.10806	1.5
158.05937	0.9
158.08063	0.4
158.09219	7.5
158.11784	0.4
160.97527	0.4
161.03047	0.4
163.02768	0.7
163.04488	0.9
174.99124	1.3
175.04500	7.6
175.07474	0.6
175.08755	0.7
175.11879	19.8
176.01064	0.9
176.10356	0.5
176.12730	1.4
193.00148	1.9
193.05557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.81519	0.7
55.05510	12.0
57.07053	0.7
58.32858	0.7
67.05497	4.7
69.07058	16.3
69.37605	2.2
77.03916	0.8
79.05471	5.5
81.07043	18.7
83.08607	5.1
89.43414	0.7
89.92413	0.7
91.05467	18.8
93.07024	8.6
95.04965	0.8
95.08600	14.1
98.22723	1.9
98.98439	2.6
103.05466	1.1
104.06232	1.0
104.07430	0.7
105.07014	64.1
106.07295	0.7
107.08578	10.6
115.05453	2.2
117.06986	5.6
119.08563	96.6
120.08849	0.9
121.10132	3.7
124.39425	0.6
125.13935	0.7
131.08528	10.7
132.09373	1.0
133.10109	71.4
134.10448	1.3
145.10098	4.8
146.10902	5.2
147.11661	20.1
157.29779	0.8
160.05185	4.7
160.12468	2.3
173.13261	2.4
175.07527	5.1
175.14801	100.0
176.15164	1.5
194.95569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.79949	0.4
55.05502	9.3
57.07058	1.2
58.35765	0.4
59.82988	0.4
64.99037	0.4
65.03918	0.6
66.22780	0.4
67.05489	2.7
69.07058	24.1
69.29656	1.7
77.03917	0.6
79.05482	3.0
81.07043	8.2
83.08595	5.6
91.05466	13.5
91.70132	0.4
93.07030	5.1
95.08597	6.5
98.23416	0.8
98.98447	1.8
103.05453	0.9
104.06234	0.4
105.07013	30.5
106.07353	0.6
107.08575	6.9
115.05434	1.4
116.67328	0.5
117.06996	4.7
118.07742	0.5
119.08560	93.7
120.08807	2.4
121.10126	2.8
124.44186	0.4
129.06923	0.6
131.08553	5.9
132.09335	0.9
133.10106	81.8
134.10440	1.5
135.11670	0.9
145.10095	7.3
146.10857	1.8
147.04401	0.5
147.11665	12.6
150.31888	0.4
158.10881	0.5
159.11658	0.7
160.05138	1.5
160.12433	3.8
173.13222	2.5
175.07512	2.1
175.14790	100.0
176.15167	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05502	10.8
67.05491	1.9
67.19020	0.9
69.07055	22.5
79.05471	3.4
81.07036	7.9
83.08597	6.9
90.01675	1.0
91.05466	13.5
93.07026	6.1
93.07499	1.2
95.08592	6.7
98.98505	1.5
105.07014	31.7
107.08587	8.0
114.84215	1.1
117.06956	4.6
119.08558	100.0
120.08866	1.3
121.10116	2.6
129.76291	1.0
131.08507	7.2
133.10107	77.9
134.10495	1.5
137.22963	1.0
145.10097	7.8
146.10880	2.4
147.11667	11.4
160.12444	4.0
173.13289	2.7
175.14790	95.5
176.15126	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	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.8
59.96783	0.9
67.05496	3.0
69.06707	1.7
69.07056	25.2
69.23397	5.1
79.05455	2.3
81.07042	6.6
83.08602	5.3
91.05462	9.0
93.07011	5.6
95.08620	5.3
98.23528	1.9
98.98444	2.1
103.05442	1.1
105.06336	1.9
105.07017	26.6
107.08589	6.3
117.07013	3.3
119.08561	93.0
120.08860	1.5
121.10107	2.7
124.60120	0.9
131.08560	5.0
133.10106	82.9
145.10097	5.8
146.10895	0.9
147.11646	10.4
160.12505	4.3
173.13205	2.3
175.14796	100.0
176.15134	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03955	0.6
53.32959	0.5
55.05250	0.8
55.05505	9.7
57.07071	1.0
63.06964	0.5
65.03935	0.7
67.05499	3.5
69.07058	25.3
71.46043	0.5
79.05473	4.4
81.07040	14.0
81.07493	0.9
83.08603	5.9
85.02897	0.6
89.03918	0.5
91.05470	15.4
93.07031	7.2
95.04967	1.2
95.08595	10.7
95.09196	0.6
98.98458	8.5
100.21640	0.4
103.05436	0.7
103.70224	0.5
104.06221	0.6
105.07013	40.7
106.07362	1.1
107.08578	7.9
109.10105	0.8
115.05455	1.5
117.07007	4.9
119.04927	1.6
119.08562	100.0
120.08920	2.2
121.10146	3.5
129.07007	0.5
131.08531	5.8
132.09384	1.2
133.10107	85.0
133.66409	0.5
134.10439	1.4
135.11664	0.5
145.10091	7.8
146.10852	1.9
147.04358	1.0
147.08009	1.1
147.11662	14.0
159.11691	0.5
160.05225	1.4
160.12454	3.6
165.35449	0.6
173.13235	2.3
174.18715	0.5
175.07491	2.7
175.14793	95.7
176.15169	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96009	0.5
60.05645	2.5
69.81002	1.0
70.06580	7.8
87.39420	0.6
98.97578	2.2
116.07088	1.8
116.98596	0.7
130.09744	1.4
132.02092	100.0
133.02425	1.7
150.03093	0.8
158.09184	0.6
175.11923	1.5
176.01059	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.96557	7.0
57.03435	1.7
60.04526	9.9
60.05640	33.0
60.95831	1.8
66.35561	1.4
67.05497	1.8
69.03417	1.6
70.06586	100.0
71.04977	6.2
71.06929	6.1
71.43202	1.4
72.08136	5.7
81.07040	4.2
85.06541	2.9
89.03913	1.9
95.08602	4.1
97.02865	1.9
97.10178	2.1
97.59956	1.3
98.97572	37.8
99.08085	1.8
102.96864	4.1
110.97604	1.6
112.08717	3.6
116.07070	23.9
116.98611	21.4
117.03391	2.1
117.07423	2.1
119.01876	2.2
120.02030	3.6
120.90714	1.3
120.97896	3.2
121.01648	1.2
123.08059	1.7
127.04051	1.5
130.06485	1.9
130.09750	14.4
130.12215	2.6
132.02094	76.0
133.03448	1.7
134.99643	5.8
138.02951	2.1
140.10672	1.5
145.02844	2.3
158.09238	7.0
158.11745	2.9
167.83992	1.3
175.11856	14.6
176.01060	11.6
176.04631	1.8
176.07104	1.5
176.10287	2.0
176.12881	6.1
177.00711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02378	0.4
53.03934	0.7
53.07909	0.3
55.05506	2.0
56.05039	0.2
56.96553	1.7
57.93550	1.2
64.77849	0.3
65.48933	0.3
69.71802	0.6
69.72164	0.5
72.08133	0.4
75.94586	0.8
77.03913	0.9
78.04715	0.4
79.05474	1.8
89.03896	4.3
91.05464	0.7
93.95638	0.5
95.04948	3.2
98.06019	0.6
98.96159	0.4
98.97563	7.6
98.98442	6.0
103.05444	1.1
105.03372	100.0
106.03632	1.5
106.06548	0.3
116.97215	10.0
116.98585	9.2
116.99460	0.2
117.03358	6.2
120.08056	0.6
121.06484	0.7
122.06010	2.5
130.06502	3.3
131.04900	0.8
131.99553	1.9
132.08081	0.3
133.08873	0.3
134.03635	0.6
134.05997	5.1
134.07008	0.3
134.95851	0.9
134.99628	6.8
135.04353	0.7
145.02820	7.8
148.03995	0.6
148.07516	0.6
149.02284	0.8
149.05930	2.5
149.09593	0.3
152.96902	4.1
153.00708	1.5
157.97450	0.6
158.05991	0.5
159.04417	0.5
161.08330	1.2
162.03064	0.8
167.43109	0.3
170.97923	0.6
174.09181	0.3
175.98503	2.7
176.02205	0.4
176.07101	1.8
176.10667	31.7
177.05408	4.6
177.11093	0.6
177.35190	0.2
196.78459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.3
56.96278	0.8
56.96559	14.7
60.05629	0.5
63.41549	0.4
67.05490	1.8
68.71838	0.4
69.03382	0.5
70.06575	1.2
71.06908	0.7
71.95248	0.7
73.01020	0.5
79.05466	0.7
81.07053	5.3
82.07401	1.0
84.04507	0.4
85.02913	0.4
92.04981	0.8
93.07005	0.4
95.08597	15.2
96.08115	1.9
96.08913	2.1
97.10165	5.0
98.10524	0.8
98.97570	100.0
98.98457	2.9
99.08099	0.5
99.97900	1.0
105.02139	0.4
107.04933	0.7
112.11246	0.5
116.98606	69.1
117.03354	1.2
117.98906	0.7
122.09640	0.6
123.08067	4.6
124.08392	0.8
130.12251	1.1
131.01820	1.0
131.06006	0.7
133.07599	1.6
134.99640	31.5
135.06787	1.6
140.00130	1.2
140.10670	2.8
141.09079	2.0
145.02798	1.1
149.07069	0.9
150.05489	0.9
150.09061	2.3
153.00700	3.4
154.94173	0.6
158.01292	0.5
158.11736	2.1
158.99699	0.7
172.95236	1.3
176.07076	0.7
176.12796	0.9
177.00702	1.7
177.02313	0.7
177.04213	0.8
177.06589	11.6
177.10176	1.0
178.08626	2.7
195.01880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83614	0.5
53.25952	0.5
56.81268	0.5
56.96559	11.8
70.75703	0.6
98.97574	100.0
99.06179	0.5
99.97923	1.0
116.98611	62.2
117.98918	0.5
129.51068	0.5
134.99648	24.6
135.03162	0.8
135.99950	0.6
140.00143	0.9
153.00685	2.2
163.19360	0.5
177.00711	1.4
177.04205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96011	0.4
56.96282	0.7
56.96557	12.7
59.78803	0.4
62.62369	0.5
70.76075	0.7
71.95259	0.5
76.92812	0.6
91.01527	0.4
98.97569	100.0
99.97915	1.7
100.02504	0.9
101.00931	0.6
116.98607	59.5
117.99026	1.2
118.03493	0.7
118.92068	1.5
134.99638	21.9
135.03169	0.6
136.00064	2.6
136.93120	3.8
140.00166	1.1
153.00696	1.5
154.01138	3.9
154.94167	5.2
158.01233	0.7
172.93892	0.7
172.95235	5.9
177.00743	1.4
177.04292	0.5
190.96260	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.23777	0.6
53.29819	0.6
63.02366	1.1
69.07081	0.6
69.26271	1.3
69.26678	2.5
73.39365	0.6
77.20257	0.6
78.04696	3.2
79.05479	0.7
81.07016	0.8
84.73967	0.6
89.03903	54.4
90.04236	1.8
91.05467	4.6
93.07018	1.6
95.04965	1.7
98.98448	2.6
102.09099	0.6
103.05443	2.3
105.03356	0.8
105.04482	0.6
106.04161	4.6
107.08592	1.8
117.03362	88.1
118.03682	2.1
119.04916	0.7
121.06472	2.9
121.10140	1.4
124.05157	0.8
131.08559	1.2
134.03619	11.1
135.04401	5.1
135.08000	1.8
141.77490	0.7
145.02826	100.0
146.03127	2.2
148.61948	0.7
149.05952	26.7
158.70111	0.7
162.03111	1.9
163.03889	2.5
177.05440	26.0
177.12691	1.2
178.05617	0.8
195.15950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
63.02365	0.9
69.20916	0.9
69.21325	1.6
73.78826	0.5
78.04707	2.9
79.05476	0.6
81.07038	0.6
89.03904	35.5
90.04243	0.9
91.05467	2.3
93.07047	0.7
93.67928	0.4
95.04958	1.0
98.98447	0.7
103.05459	1.5
105.03378	0.7
106.04166	3.5
107.04933	0.5
117.03364	71.9
118.03717	1.3
119.04914	0.9
120.08878	0.5
121.06447	0.5
121.10134	0.4
124.05185	0.9
131.04907	0.4
134.03619	8.7
134.10445	0.5
135.04396	5.4
145.02827	100.0
146.03146	1.9
149.05960	24.1
162.03114	3.0
163.03877	2.0
176.15114	0.6
177.05441	25.9
178.05771	0.6
186.05621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.28329	0.4
57.86354	0.4
63.02374	1.4
69.65176	1.5
69.65524	0.6
71.10983	0.4
74.43915	0.4
77.40476	0.5
78.04693	3.2
81.07053	0.5
89.03903	45.7
90.04237	1.0
91.05473	3.5
93.07041	1.1
95.04938	1.3
98.95374	0.5
98.98421	0.7
103.05448	1.4
105.03439	0.5
105.07014	0.9
106.04162	3.8
117.03361	80.8
118.03677	1.3
121.06501	1.0
121.10184	0.6
124.05193	0.8
131.08559	0.7
134.03618	9.3
135.04425	4.1
145.02827	100.0
146.03156	1.7
149.05960	24.7
158.05962	0.5
162.03082	1.4
163.03938	2.2
174.00510	0.4
177.05447	22.3
177.12656	0.7
186.05447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03931	0.5
55.05512	0.5
55.81795	0.4
58.38711	0.5
62.95863	0.5
63.02374	1.4
63.03083	0.4
63.64197	0.5
69.07050	0.6
69.38128	2.3
75.27910	0.4
78.04700	4.0
79.05476	0.8
87.25230	0.5
89.03906	53.3
90.04227	1.1
90.75169	0.4
91.05466	4.6
93.07032	1.5
95.04968	2.0
95.08602	1.3
98.23462	0.9
98.98471	1.8
103.05463	2.0
105.03413	0.7
105.06981	0.9
106.04153	4.6
107.08587	1.6
109.06518	0.6
117.03363	88.7
118.03715	1.5
119.04950	0.7
119.08591	0.7
120.16306	0.5
121.06474	1.8
121.10122	1.5
124.05170	1.1
131.04955	0.6
131.08524	0.8
131.34145	0.4
134.03613	10.4
134.04561	0.9
135.04407	6.1
145.02826	100.0
146.03168	2.2
149.05959	27.1
150.89722	0.5
159.07985	0.6
162.03105	1.4
163.03886	1.3
177.05449	22.3
177.09052	1.8
177.12694	1.4
177.16353	1.2
182.79984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.05499	0.5
62.01583	0.4
63.02371	1.9
67.05489	0.6
69.07053	1.0
69.14486	2.7
70.80817	0.4
72.57356	0.5
77.03926	0.5
78.04700	3.7
79.05480	1.0
81.07024	0.8
89.03907	45.8
89.07660	0.4
90.04229	0.9
91.05470	4.3
93.07030	1.7
95.04943	1.4
95.08599	1.5
98.98436	1.2
103.05437	1.7
105.03398	0.5
105.07047	0.9
106.04150	5.6
107.08582	2.3
109.10121	0.7
117.03364	79.9
118.03720	1.5
119.04871	0.5
119.08549	1.0
120.08891	1.2
121.06481	1.4
121.10126	3.6
124.05196	1.0
129.04558	0.6
133.10135	0.4
133.25600	0.4
134.03615	9.2
134.10416	1.0
135.04419	4.0
135.11623	0.6
145.02827	100.0
146.03180	2.2
149.05962	25.2
150.06403	0.6
162.03134	1.5
162.06708	0.4
163.03876	1.5
176.15115	2.3
177.05449	25.0
177.08983	3.2
177.12604	0.7
177.16441	1.1
178.05692	0.5
186.05450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1636
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
50.20856	0.6
53.03933	0.7
55.05503	14.0
57.07067	1.9
67.05491	6.7
69.07059	25.0
69.73330	2.0
70.07388	0.9
77.03887	1.0
79.05477	14.9
81.07040	15.6
83.08604	15.8
89.03907	1.6
91.05462	9.8
93.07031	35.6
95.04958	1.4
95.08592	40.5
97.10146	3.6
105.04498	0.7
105.07008	9.7
107.08578	73.0
108.08923	0.8
109.06506	2.5
109.10134	14.0
117.03358	3.6
119.06030	1.5
119.08559	2.0
121.10124	100.0
122.10460	2.7
133.07513	1.1
133.10121	1.1
135.10625	0.8
135.11668	15.4
144.15927	0.6
145.02814	4.7
149.05981	1.6
149.13232	6.0
177.16356	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	178.1225
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
55.40118	0.3
56.96502	3.3
59.93066	0.6
62.24485	0.3
65.03887	0.4
67.05470	0.3
69.03384	0.3
70.06480	0.3
79.05436	0.5
80.04913	0.3
81.07046	0.4
88.02191	0.6
90.04247	0.6
91.05468	5.0
92.04952	0.5
92.05836	0.3
93.05767	0.5
94.06490	0.4
95.04917	0.7
98.97565	3.6
98.98202	0.4
98.98471	0.4
99.97888	0.5
103.05460	0.4
104.04974	0.4
104.86886	0.4
105.03345	0.4
105.07015	2.1
106.06517	0.3
107.08553	0.8
115.05401	1.1
116.98627	2.1
117.03353	0.6
117.06956	1.1
118.03688	1.3
118.06527	9.5
118.96736	3.8
119.04911	1.4
119.07310	9.4
132.04407	0.5
132.05284	0.6
132.08078	1.4
133.06487	1.3
133.99092	0.5
134.09636	61.0
134.99641	1.3
135.04387	0.7
135.06805	0.7
135.09964	1.1
136.00035	0.4
136.07578	0.7
136.93143	0.5
137.05948	4.4
138.06277	0.4
143.04947	0.4
146.03151	1.5
147.04420	0.3
150.05365	1.5
150.09123	1.1
151.07552	1.4
154.94153	0.9
154.96504	1.4
158.99713	0.6
160.03882	0.5
160.07602	0.5
160.11223	0.7
161.05977	0.5
162.09142	3.0
163.06313	1.1
163.09866	1.5
172.94102	0.9
172.95505	1.6
172.97502	0.4
177.00757	1.0
177.98090	1.3
178.08688	16.0
178.12241	100.0
179.03426	1.3
179.07036	0.6
179.08926	0.3
179.12624	3.1
190.95390	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45749	1.1
55.01870	8.2
56.82107	1.2
56.96560	6.0
57.03426	6.4
60.04504	4.3
60.08156	1.7
61.02910	3.4
67.05482	1.3
69.03060	1.6
69.03419	24.6
70.11897	1.0
70.43874	2.8
72.04498	4.5
73.02897	3.0
79.05459	1.6
80.05014	1.9
81.03397	4.3
83.04962	2.6
85.02894	48.7
90.52420	1.1
91.05470	1.4
93.07039	1.3
95.04941	1.5
96.04481	1.7
97.02886	12.9
98.97579	8.3
99.04454	4.0
101.02347	4.8
103.05483	1.3
107.04987	1.4
109.02850	2.1
110.05988	1.1
111.04417	1.2
115.03887	1.8
116.98605	4.8
120.44648	1.2
121.06495	9.3
122.06011	2.1
124.07589	7.4
127.03024	2.4
127.03902	34.6
134.06000	3.6
134.99634	2.8
135.06763	3.2
145.04942	11.3
150.05467	6.1
151.07550	1.2
152.07037	17.6
162.05499	6.9
163.05995	1.9
164.07050	9.3
165.07843	100.0
166.08209	1.8
180.06554	51.7
180.10164	90.4
181.06892	1.5
181.10547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06062	2.5
51.81887	2.5
53.03947	5.0
55.01862	4.3
55.10538	2.9
56.96555	7.8
57.03419	4.6
60.04515	7.5
61.02914	15.6
61.09506	2.7
67.05475	2.7
69.03419	29.1
71.04990	4.9
73.02903	10.6
79.05480	8.8
80.05791	3.5
81.03410	12.7
85.02893	100.0
91.03945	5.3
91.05470	8.5
93.03410	3.0
93.07029	7.7
95.04955	3.9
97.02879	27.8
98.97565	40.9
99.04451	5.1
101.39788	2.4
101.74442	2.5
103.05455	5.0
105.07027	4.6
106.06644	3.8
106.07364	9.9
107.04978	3.2
108.08114	4.0
109.02815	6.6
110.06052	2.9
115.03951	2.8
115.05400	3.1
116.05804	8.5
116.36570	2.5
116.98603	39.6
117.03355	3.5
117.48316	2.6
118.82250	2.9
121.06489	59.4
121.07324	4.7
124.07546	3.7
127.03136	2.5
127.03897	18.1
134.05998	6.7
134.06883	4.6
134.99637	24.0
135.04410	8.6
135.08090	4.9
136.07561	7.2
137.05940	5.7
138.09129	11.7
145.02852	5.1
145.04913	10.0
148.04010	2.8
162.06314	10.7
163.03851	17.6
165.07829	18.3
173.37024	3.0
180.03860	3.1
180.06445	24.3
180.10147	24.7
180.13744	4.2
181.04799	3.7
198.45427	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	180.1018
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
56.96562	4.1
57.03427	0.6
61.02945	0.5
69.03429	1.6
70.06598	0.4
70.17065	0.8
73.02902	0.6
79.05488	0.4
81.03436	0.8
83.04961	0.5
85.02900	3.1
97.02878	2.1
98.97574	10.0
99.04472	0.8
102.96866	0.6
108.91692	0.4
110.97587	0.5
116.98615	5.5
119.01799	0.8
120.08110	0.5
120.97903	0.8
121.06490	1.3
127.03932	1.1
128.98582	0.8
131.00174	0.8
134.05997	0.7
134.09631	0.6
134.99646	1.7
137.05954	0.4
145.05035	0.6
148.03818	0.5
148.07520	0.6
150.05457	0.9
153.00679	0.5
162.05463	1.4
162.09132	0.7
164.07060	8.8
165.07840	100.0
166.08188	2.3
168.03711	0.5
169.04433	0.8
173.13094	0.4
174.41431	0.4
175.02808	0.7
177.04156	0.4
180.06790	3.3
180.10175	88.2
181.10585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.0
56.96556	14.0
60.08154	6.5
70.97120	0.8
74.36118	0.8
83.04984	1.0
89.73694	0.8
91.05469	2.5
93.07024	6.0
95.04970	1.5
98.97570	100.0
102.96865	0.9
103.05448	3.1
116.98607	64.7
121.06493	50.0
122.06838	10.0
134.99637	21.4
137.05933	0.8
140.00157	1.7
151.07524	2.0
153.00714	2.1
158.01221	2.6
164.07051	1.4
165.07843	11.1
166.08197	6.2
172.43736	0.8
180.10176	6.1
180.13786	8.4
181.02557	3.4
181.10591	4.4
181.14201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	10.6
67.72226	0.5
70.14424	1.4
71.95248	0.8
75.19888	0.5
98.97569	100.0
99.83526	0.5
99.97896	0.5
102.96849	1.4
115.05157	0.6
116.98605	56.2
120.97901	0.9
121.01635	0.7
134.99640	22.1
140.00208	1.8
145.60574	0.6
153.00648	1.4
156.97479	2.1
157.97577	0.7
158.01218	2.2
173.68028	0.6
174.98499	1.3
188.87897	0.6
202.10458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.96560	18.7
63.66294	0.6
71.04976	0.9
83.04971	2.5
85.02876	1.4
91.05487	1.6
95.04939	0.8
97.02879	1.9
98.97571	100.0
102.96868	2.6
107.04993	0.7
115.00681	0.8
116.98606	63.0
119.03557	1.0
119.04887	1.0
120.97906	1.5
121.06500	2.4
128.98535	0.8
131.01894	2.7
132.04453	1.4
134.99643	22.9
136.07541	1.8
140.00148	2.1
140.98518	1.2
150.52721	0.7
151.01558	0.8
153.00705	2.2
154.03479	1.2
158.01253	2.5
158.99615	1.9
164.07024	2.9
165.07843	23.4
166.08191	13.9
167.97734	0.7
172.04533	0.7
174.98651	0.6
175.02776	0.8
177.00623	1.0
177.04301	1.1
180.10150	18.6
181.02568	5.9
181.09277	0.7
181.10574	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	181.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05901	0.5
53.03969	0.8
55.01865	0.8
55.05511	1.7
57.03421	0.7
57.07067	21.7
59.04995	1.9
60.56142	0.5
67.05504	1.2
69.03425	1.0
69.07058	3.0
69.08904	4.2
71.12925	0.6
79.05479	7.4
81.03407	4.3
81.07047	3.2
83.04969	39.4
84.05300	0.8
85.06520	0.9
87.42664	0.6
91.05471	2.6
93.07033	6.9
95.04955	14.1
97.06518	22.1
98.97560	3.3
105.07019	5.2
107.04980	1.6
107.08578	8.7
116.98611	2.0
117.06998	1.4
119.08562	3.4
121.06502	2.7
121.10132	11.4
125.05974	58.9
126.06348	1.3
130.07782	1.6
134.99622	0.7
135.11674	4.4
136.68675	0.7
138.57388	0.5
145.10098	9.1
146.10432	0.7
163.11157	100.0
164.11543	2.0
173.06297	0.6
181.12202	30.3
182.12511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
52.53030	0.5
55.01865	1.2
55.05507	1.9
57.03416	0.7
57.07068	20.0
59.04991	2.5
62.81085	0.5
67.05491	1.2
69.03414	1.1
69.07056	2.3
69.50816	1.9
73.25956	0.5
79.05478	5.7
79.95152	0.5
80.03379	0.5
81.03402	5.0
81.07037	3.6
83.04968	40.4
91.05447	3.3
93.07025	6.9
95.04955	15.3
95.08581	0.6
97.06516	18.6
98.06886	0.6
98.97595	2.6
105.07004	5.3
107.04967	1.6
107.08582	9.0
109.06529	0.6
116.98573	1.3
117.07007	2.4
119.08579	2.9
121.06496	2.3
121.10125	12.7
125.05970	58.6
126.06301	0.7
130.07796	2.1
135.08078	0.7
135.11671	5.2
143.08524	0.5
145.10094	8.8
145.56442	0.5
163.11154	100.0
164.11507	2.7
181.12201	28.8
182.12503	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.28942	0.5
55.01869	1.2
55.05508	1.2
57.03429	0.9
57.07072	20.5
59.04998	2.6
65.03641	0.6
66.69817	0.5
67.05498	1.2
69.03438	1.4
69.07070	2.4
69.64081	2.0
79.05482	6.7
81.03402	5.2
81.07056	3.7
83.04972	44.5
85.06549	0.5
91.05476	2.5
93.07028	5.3
95.04954	13.8
97.06520	21.6
98.22770	1.1
98.97601	0.9
105.07043	4.0
107.04950	1.3
107.08584	9.5
109.06519	0.7
117.07007	1.8
119.08553	3.2
121.06455	2.5
121.10120	10.7
125.05979	56.5
126.06320	1.0
130.07774	1.6
133.10135	0.7
135.11676	5.5
145.10107	11.3
163.11162	100.0
164.11487	3.8
181.12215	30.9
196.67535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05502	1.3
57.07068	22.5
59.04995	2.6
67.05494	1.4
69.03440	1.0
69.07056	3.2
71.84373	0.6
73.30366	0.6
78.81998	0.6
79.05481	6.2
81.03400	5.2
81.07024	3.7
83.04967	46.9
91.05450	3.2
93.07032	6.4
95.04954	16.4
95.05521	1.2
97.06519	21.0
98.97560	0.9
102.95821	0.6
105.06999	4.8
105.40585	0.7
107.04944	2.4
107.08581	11.9
113.63097	0.6
116.98592	1.0
117.07018	2.8
119.08556	2.9
121.06485	2.6
121.10123	11.9
124.90540	0.6
125.05970	59.4
126.06309	1.1
130.07774	2.4
135.11681	5.2
145.10065	11.4
163.11154	100.0
164.11475	2.3
181.12199	30.8
182.12549	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39134	0.2
56.96554	0.8
65.03934	0.9
68.01386	0.3
70.50576	0.5
73.34541	0.2
77.03857	0.2
78.77457	0.2
79.05497	0.4
91.05468	38.3
91.17358	0.2
92.05799	0.7
95.04956	6.9
98.97573	1.8
98.98463	0.6
99.97926	0.4
105.06991	0.2
108.05721	0.3
116.98599	1.2
117.98958	0.4
119.04929	29.8
120.05260	0.4
120.13359	0.2
122.06022	0.2
123.08056	1.0
134.99629	0.4
136.05180	4.1
137.05983	1.7
150.05516	0.4
151.07521	100.0
152.07855	1.8
164.07169	0.2
176.31760	0.2
182.08162	0.3
182.11766	2.1
200.01787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.32680	1.1
55.05497	5.6
57.07062	2.4
58.02953	28.8
63.16594	1.1
67.05496	16.5
69.07059	57.0
69.96765	2.5
69.97117	1.6
71.53362	0.9
72.42654	1.0
74.06072	1.4
79.05477	4.5
81.07044	16.2
83.04979	2.2
83.08633	6.0
84.08129	6.4
91.05466	5.1
93.07027	9.8
95.08596	4.5
97.06515	3.2
98.06043	2.9
98.09715	1.6
98.97556	3.2
98.98447	1.8
99.97911	2.6
100.07611	6.1
105.07028	12.6
107.08580	17.4
109.06514	2.5
109.10145	44.3
110.49484	1.2
112.07585	2.3
114.09144	12.6
116.98623	4.2
117.98898	1.3
121.10103	1.1
123.11664	6.3
126.09132	11.4
126.12743	1.3
133.10112	26.6
135.11679	17.8
138.12746	16.8
147.11668	5.0
151.11143	10.3
153.12732	12.4
154.15878	1.6
164.14348	1.8
165.12737	3.2
182.15381	100.0
183.15704	1.4
185.99838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72202	0.3
56.62680	0.3
61.82603	0.3
67.62566	0.3
70.43854	0.4
70.44202	0.7
82.99813	2.5
98.23405	0.4
101.00864	29.3
102.00948	1.6
111.12479	0.3
117.35151	0.3
119.01898	100.0
120.01959	4.3
124.02394	2.1
125.02554	0.4
137.02930	23.4
138.03041	1.4
142.03474	20.0
143.03641	1.9
148.64510	0.3
160.04549	4.1
161.02939	6.5
161.04607	2.0
179.03979	8.9
179.05341	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03935	1.4
55.05505	3.3
55.81410	1.0
57.03405	1.4
57.07054	3.5
59.05002	8.2
62.70515	0.9
67.05502	4.9
69.03422	1.2
69.07060	7.2
70.06580	1.8
71.04984	50.2
79.05486	15.3
81.07047	46.3
82.07321	1.1
83.04958	1.5
83.08613	1.2
85.06522	2.2
89.03917	1.2
91.05476	3.1
93.07039	20.3
95.04967	2.4
95.08590	15.3
97.06516	11.4
97.10128	1.0
102.96861	1.8
105.07023	9.3
107.04925	2.2
107.06056	1.2
107.08585	25.6
109.06512	1.8
109.10133	3.0
110.28745	1.3
111.08066	1.6
111.11699	1.1
117.03358	2.1
119.06055	2.1
119.08544	1.3
120.97876	1.4
121.07623	4.0
121.10130	100.0
122.10469	2.7
123.08064	1.7
123.11694	24.5
125.05984	16.3
125.09621	5.7
128.06180	1.4
137.07097	2.3
139.11159	34.5
142.07748	1.6
142.63782	1.1
143.08530	2.4
145.02823	3.5
149.07109	4.5
149.09608	9.4
149.13219	1.8
157.10103	2.1
158.05916	1.2
161.88460	1.1
167.08287	2.0
167.10678	16.7
167.14311	1.6
170.10875	2.1
185.09389	2.9
185.11694	6.8
185.13257	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	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	9.5
59.77813	0.4
61.08757	0.4
65.86677	0.4
68.81717	0.4
69.45255	1.8
82.06571	0.4
85.10164	6.5
86.50700	0.4
88.48021	0.4
89.75885	0.4
90.58312	0.4
98.22733	0.6
102.12812	16.1
117.03295	0.6
120.92450	0.5
145.02899	0.5
186.22144	100.0
187.22498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
53.70736	2.1
55.01868	3.6
55.05496	2.4
57.03428	2.5
57.46544	1.7
68.13817	1.9
69.03423	30.4
69.23433	11.1
71.04996	6.7
77.93011	2.0
79.05466	3.0
81.03407	38.7
81.07047	3.8
83.01332	16.2
83.08636	4.5
85.02895	52.8
88.02201	10.6
88.07619	13.0
91.05482	8.3
93.07014	2.7
95.04974	2.4
95.08570	2.6
97.02882	100.0
99.04450	13.7
105.07012	12.4
109.02869	30.8
109.03552	3.0
109.69613	2.1
115.03902	2.5
116.06165	3.1
117.07007	12.2
119.08559	4.2
127.03918	19.1
128.06172	4.4
129.06973	7.1
130.07753	2.4
131.08531	23.0
141.07030	2.9
143.08522	4.8
144.05704	20.9
144.09335	3.9
145.04948	7.6
145.06477	4.7
145.10098	26.9
157.10139	4.5
158.07292	3.7
158.10902	2.3
159.06973	6.6
159.08115	9.9
159.11647	15.7
169.10057	3.2
172.05179	16.1
172.08833	4.4
172.12471	2.4
186.18520	3.8
187.06015	10.6
187.07547	45.2
187.11145	35.1
187.14795	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	187.06
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
50.35369	1.6
51.38237	1.8
53.03943	5.4
55.01873	2.4
61.02918	6.9
62.96891	1.7
69.03420	100.0
71.04969	2.4
71.44382	2.0
74.32956	1.8
76.08484	1.9
81.03404	26.0
83.01327	3.0
85.02898	24.9
88.02193	3.7
88.07617	6.5
89.56978	1.7
90.87254	1.9
91.05487	3.1
97.02874	35.8
99.04446	11.7
105.07042	2.8
109.02864	47.7
117.06981	3.4
127.03894	45.8
129.06998	3.3
131.08569	6.5
141.06981	2.4
144.05707	5.7
145.04959	10.9
145.06201	1.6
145.10078	5.9
159.06915	2.0
159.08086	3.3
159.11667	6.0
172.05193	3.7
186.18565	2.9
187.05995	8.9
187.07542	12.0
187.11139	15.8
187.14835	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	187.06
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61865	1.6
53.03937	5.9
54.89553	1.8
55.01858	3.0
55.12857	1.9
57.03441	1.9
58.87322	1.9
59.04988	1.9
59.37426	1.6
61.02912	5.9
67.05484	2.5
69.03420	100.0
69.07051	7.5
71.04964	8.4
79.05486	2.0
81.02950	3.5
81.03406	46.5
81.07059	2.7
82.03616	1.7
83.01344	10.5
83.08599	2.1
85.02889	52.2
85.90174	1.6
88.02197	5.8
91.05460	6.7
97.02881	56.5
99.04449	16.2
105.07011	8.5
109.02865	48.4
109.03617	2.1
109.10143	8.8
117.06989	5.4
127.03896	52.6
128.06189	2.6
129.06985	4.1
131.08559	13.5
131.16397	2.3
143.08572	2.5
144.05687	9.6
144.09256	3.3
145.04916	15.4
145.06012	3.0
145.06360	2.5
145.10121	15.4
154.07780	3.2
157.10104	2.2
159.06898	2.3
159.08047	6.1
159.11685	9.5
169.10104	4.0
172.05122	5.9
172.08786	4.0
187.05963	22.0
187.07535	17.6
187.11157	22.5
187.14838	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0598
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
51.02374	1.4
53.00309	1.7
53.03940	14.6
55.01867	4.7
55.05493	2.2
57.03429	4.6
59.04973	1.5
61.02935	2.7
68.99772	3.2
69.03419	87.6
70.52824	2.1
70.53159	1.7
71.01348	2.2
71.04981	11.5
81.03404	98.3
83.01327	8.0
85.02893	42.6
88.02203	7.0
91.05471	2.3
93.07008	1.6
95.08604	2.2
97.02873	22.2
99.04433	24.4
105.07024	4.2
109.02856	36.8
114.22951	1.6
115.03912	5.5
116.04490	1.2
117.05518	1.4
119.08542	1.9
127.03894	100.0
127.32053	1.5
131.08549	4.3
136.70555	1.5
138.32066	1.3
144.05707	3.4
145.04936	65.7
145.10110	7.7
159.06981	4.7
159.11642	4.4
172.05238	3.1
187.05995	13.9
187.07544	7.4
187.11093	8.1
187.14790	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	187.0752
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
53.03954	1.4
55.01864	8.5
55.05504	2.2
57.03408	1.5
65.03915	1.7
67.05486	2.3
69.03400	4.5
69.07070	1.0
70.06590	6.1
71.01344	16.1
71.04998	1.4
73.02916	1.3
78.17706	0.9
79.05481	1.2
81.03406	4.7
81.07035	3.7
83.01328	2.0
83.04939	1.5
85.02909	1.4
88.02200	3.3
91.05467	54.3
95.08565	1.8
97.02889	1.3
98.60171	1.0
99.04460	1.3
103.05462	3.5
105.07050	2.1
109.06494	1.1
109.10168	1.4
115.05441	28.8
116.06236	18.6
117.07021	17.9
118.06558	1.7
123.08031	1.1
128.00751	2.4
128.06172	8.9
129.06978	24.5
130.07761	2.1
131.04910	14.2
131.08548	78.3
132.08905	1.9
141.06970	73.9
142.06451	2.7
142.07422	1.1
144.05688	23.3
145.06451	5.8
146.06021	3.4
155.05997	1.3
157.06474	12.8
158.07271	14.0
159.08043	78.1
168.05644	1.1
169.06424	18.1
169.07634	3.1
170.05968	10.1
172.05238	1.8
187.07512	100.0
188.06956	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0751
Annotation	(+/-)-trans-Acenaphthene-1,2-diol
Peak:m/z	Relative Intensity
51.02365	1.1
53.03930	1.9
55.01863	8.8
69.80396	2.8
70.06580	1.3
71.01344	15.6
81.03396	1.4
81.07044	1.5
83.01329	1.8
91.05465	53.4
92.94746	0.8
93.07049	1.1
98.22676	0.9
103.05445	2.9
107.04941	0.8
115.05437	24.0
116.06235	16.5
117.07000	16.6
128.06157	5.7
129.06978	21.6
131.04906	12.6
131.08540	68.3
132.08875	1.6
133.06427	1.2
141.06966	69.4
142.07382	1.0
144.05682	25.0
144.06839	1.2
145.06458	6.0
157.06462	11.9
158.07256	15.2
159.08031	74.1
160.08347	1.4
168.05707	1.1
169.06448	17.1
169.07635	3.3
170.05991	2.0
172.05128	0.9
187.07507	100.0
188.07912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08535	0.3
69.43620	1.2
87.97330	0.3
91.05474	4.3
92.93575	0.3
96.56876	0.3
103.05463	0.4
115.05444	6.0
116.04994	0.4
116.06321	0.4
117.05798	1.5
117.07004	4.6
118.06531	71.8
119.06872	1.2
132.08012	0.4
139.03883	0.3
142.06494	5.9
143.07291	12.5
144.04401	0.7
144.08070	24.5
145.06494	0.7
145.08583	0.4
146.05992	100.0
147.06351	2.1
155.06004	1.6
160.07535	1.7
166.58849	0.4
170.05995	8.4
171.06345	0.4
188.07051	21.0
189.07401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
67.83282	0.3
68.62864	0.3
69.47700	1.5
69.48051	0.7
91.05475	4.9
93.33789	0.4
96.32831	0.3
98.22714	0.5
101.68743	0.4
115.05448	6.5
116.05003	0.4
117.05748	2.2
117.06995	4.8
118.06532	75.2
119.06892	1.1
128.04967	0.6
129.05760	0.4
132.08067	0.8
142.06500	6.6
143.07289	12.1
144.04459	1.0
144.08075	23.8
145.06503	0.7
146.05991	100.0
147.06364	1.9
155.06064	1.2
160.07565	0.8
170.05994	9.2
188.07053	19.2
189.07492	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05512	0.4
56.69047	0.3
57.07061	1.6
63.15802	0.4
67.65471	0.3
68.72101	0.3
71.44868	0.4
72.04465	0.4
79.05469	0.4
86.06079	0.9
86.09692	100.0
87.09998	0.8
91.05460	1.0
92.47714	0.4
105.07027	1.6
117.07018	0.5
119.08551	0.5
127.03139	0.3
128.06218	0.5
128.10698	36.1
129.06969	0.4
129.11043	0.3
133.06386	0.4
145.06148	0.6
145.10161	0.4
146.07216	0.4
146.10616	0.6
146.11739	16.8
147.11748	0.7
161.05939	1.9
161.09618	1.0
170.11737	16.4
171.11838	0.4
173.05486	0.7
174.06834	0.7
174.10410	0.6
188.07909	1.7
188.11592	0.8
189.09113	2.3
189.12666	1.7
189.16510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0909
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.01864	0.6
55.05499	0.8
60.53047	0.4
62.34844	0.3
67.05502	1.0
69.03424	1.3
69.07069	0.6
69.50896	1.3
79.05469	1.4
81.07044	1.4
83.08615	0.4
85.47228	0.4
91.05467	4.8
93.07028	1.0
95.04906	0.4
95.08586	1.0
100.97720	0.3
102.04692	0.4
103.05456	1.2
105.07013	7.6
105.16537	0.4
107.04926	0.4
107.08582	1.6
115.05441	3.1
116.06261	1.0
117.06999	1.9
118.07799	0.7
119.04942	1.5
119.08575	9.5
121.06470	1.3
121.10112	1.6
127.05479	0.5
128.06203	19.6
129.06987	54.0
130.07877	2.3
131.04898	5.7
131.08557	10.7
132.05644	0.3
133.06461	1.5
133.10112	5.4
135.08064	0.4
141.06995	2.4
142.07715	0.4
143.08543	4.1
143.60941	0.4
144.05663	0.7
145.06454	5.0
145.10107	2.9
145.17052	0.4
146.03610	0.5
146.07272	6.9
146.10902	0.6
147.04387	1.2
147.08052	3.5
147.11671	7.4
147.12827	0.4
148.05170	0.8
152.74370	0.3
155.06021	3.2
156.05617	0.6
156.09320	7.1
157.06471	25.4
158.07254	11.3
159.04385	5.4
159.08060	2.6
159.11687	1.5
160.05185	0.5
160.08846	0.9
161.05965	6.6
161.09599	9.2
161.13234	3.8
169.07533	0.5
171.08047	0.8
171.11665	6.5
173.06032	0.7
174.06740	71.1
174.10193	4.1
175.07069	1.9
189.09079	100.0
189.12680	19.3
189.16277	1.8
190.06201	1.1
190.09505	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	189.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
62.13190	0.4
67.05486	1.1
69.03416	1.8
69.07051	1.6
77.03918	0.6
79.05480	1.2
81.07026	1.1
89.15672	0.5
91.05469	5.8
93.07033	1.4
94.23097	0.5
94.56564	0.6
95.04953	0.7
95.08575	0.7
103.05419	0.8
105.07010	8.2
105.90434	0.5
107.04971	0.5
107.08548	1.1
115.05427	1.9
116.06208	1.1
116.98681	0.5
117.06998	1.8
118.07770	0.7
119.04920	1.4
119.08555	12.3
119.61628	0.5
121.06478	0.7
121.10109	1.8
124.05205	0.6
124.35751	0.4
127.05397	0.8
128.06206	17.3
128.07173	0.9
129.06984	45.6
130.07686	1.6
131.04906	4.7
131.08533	8.3
132.05609	0.5
133.06461	2.2
133.07434	0.5
133.10103	7.4
135.08006	0.6
141.06024	0.4
141.06944	2.7
143.08554	3.1
144.05647	0.9
145.06453	4.9
145.10112	3.6
146.03581	0.7
146.07242	6.2
147.04378	2.3
147.08011	3.9
147.11658	9.3
148.05161	0.6
148.12001	0.5
150.76521	0.5
155.06029	2.5
156.09334	7.7
157.06462	22.9
158.07254	10.5
159.04379	3.6
159.08018	3.5
159.11668	2.1
160.05032	0.7
160.08784	1.8
161.05937	6.0
161.09590	9.5
161.13239	6.8
171.08107	0.6
171.11664	10.2
173.05942	1.0
174.06738	67.2
174.10210	4.7
175.03900	1.0
175.07115	1.5
189.09073	100.0
189.12679	25.1
190.06235	2.6
190.09424	3.4
190.13042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05758	1.2
55.05497	1.7
67.05481	2.1
69.03403	4.0
69.80064	3.8
69.80422	1.4
79.05473	1.5
79.41930	1.2
79.74928	1.1
91.05462	7.5
93.07029	2.4
93.77155	1.3
98.22691	1.3
103.30252	1.2
105.07011	13.6
107.08581	3.6
115.05386	2.2
116.06146	1.5
117.06985	3.8
119.08559	27.7
122.69662	1.2
128.06192	4.4
129.07013	3.6
130.07751	4.4
131.08537	10.1
133.06485	2.6
133.10088	6.9
141.07016	9.0
143.08548	4.6
144.09328	2.6
145.06412	1.3
145.10091	17.6
146.07358	1.2
147.08009	9.1
147.11661	27.7
155.08543	2.5
156.09323	50.5
157.09706	1.3
159.08046	10.6
159.11679	13.2
160.08852	3.5
160.90752	1.2
161.05963	2.3
161.09575	4.7
161.13260	4.6
171.11658	54.6
172.12012	2.6
174.10359	14.7
189.09123	4.2
189.12714	100.0
190.13022	1.7
202.24353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69201	1.8
69.03413	3.2
69.33661	8.2
78.60248	1.8
79.05460	2.8
91.05473	7.2
93.06998	3.2
98.22637	3.1
105.07030	12.5
107.08545	3.2
110.38036	1.7
114.41320	1.7
117.07000	5.1
117.85616	2.4
119.08569	22.4
122.99353	1.7
124.98988	1.9
128.06224	5.8
129.06969	5.4
130.07768	4.0
131.08542	8.4
133.06468	2.9
133.10081	6.6
141.06956	11.5
143.08501	7.9
144.09387	3.2
145.06467	2.1
145.10094	19.0
146.07227	1.9
147.08029	8.4
147.11671	26.2
155.08551	3.9
156.09323	48.6
159.07996	7.1
159.11647	8.3
160.08810	3.5
161.05945	6.6
161.09558	11.0
161.13210	3.0
171.11665	57.4
172.11963	2.4
174.10414	10.6
189.09113	10.3
189.12723	100.0
190.12975	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39338	1.4
54.49773	1.5
55.05507	2.7
63.45001	1.4
65.82618	1.5
67.05502	1.5
69.03413	6.0
69.07066	1.6
79.05483	3.0
81.07012	3.5
83.04967	2.1
86.53127	1.5
91.05459	13.5
93.07030	3.3
95.04967	3.6
95.08598	2.8
104.99599	1.5
105.06356	1.9
105.07014	25.3
107.04925	2.0
107.08546	5.7
109.06549	1.7
115.05434	3.5
117.06972	5.6
119.04900	3.4
119.08551	29.9
121.10099	5.3
128.06183	8.5
129.06958	11.9
130.07739	2.6
131.08534	15.7
133.06447	6.1
133.10101	13.6
135.07942	2.2
141.06931	9.7
143.08542	9.0
145.06470	3.9
145.10097	20.6
146.07213	2.0
147.08003	10.7
147.11647	25.8
155.08501	1.9
156.09320	43.2
157.06483	2.6
157.97078	1.6
159.08017	12.5
159.11641	7.7
160.05223	2.4
160.08849	3.5
161.05956	6.5
161.09538	10.0
161.13220	6.6
171.11661	49.0
174.06746	7.2
174.10384	15.5
181.68738	1.5
189.05344	3.0
189.09077	17.0
189.12704	100.0
189.16327	6.0
190.13048	2.5
196.43396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0497
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
54.15444	0.2
56.96560	0.3
66.46183	0.2
67.01871	0.2
67.05511	0.2
68.99786	0.2
71.33624	0.2
72.79798	0.2
89.03913	1.1
91.05476	0.2
98.97581	0.5
116.04964	3.6
116.98581	0.6
119.08559	0.3
122.65630	0.2
134.05948	0.4
144.04343	0.9
149.01250	0.3
149.02303	0.3
155.56534	0.3
162.05476	100.0
163.05858	2.2
164.05962	0.2
175.06331	0.4
190.04964	33.2
190.15891	0.2
191.05290	0.9
191.11816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.96559	6.1
58.06570	0.3
60.04498	0.3
69.03401	0.5
69.07016	0.3
70.06543	0.4
71.43314	0.3
72.08100	0.5
73.99881	0.2
74.97571	0.4
81.42532	0.3
84.08093	0.8
85.02863	0.4
85.06499	0.5
86.09653	0.9
89.03886	1.4
98.97571	8.5
99.97860	0.4
100.99106	0.5
101.92397	0.2
110.97532	0.2
112.72810	0.2
112.99098	0.5
116.04256	0.3
116.04971	3.7
116.98607	5.9
119.00138	0.4
120.04450	1.2
126.12766	0.3
128.98595	0.6
131.00159	1.8
134.05980	0.5
134.99631	3.3
136.00069	0.3
144.04428	0.9
144.10130	0.4
144.13812	0.7
148.09590	0.3
149.01205	4.7
153.00687	0.4
162.05475	100.0
163.05865	2.2
164.05861	0.3
167.02267	1.8
172.02815	0.4
190.04977	32.5
190.08598	0.9
191.05338	0.9
191.11865	0.3
192.62926	0.3
208.02808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17273	0.5
55.05507	13.5
56.04990	0.7
57.03434	4.1
57.07059	1.8
58.06595	4.9
67.05163	0.8
67.05499	11.4
67.06915	0.5
69.07061	9.4
69.09744	1.3
69.10149	2.6
70.06583	17.3
71.04996	4.0
72.08132	2.1
79.05463	3.2
81.07045	30.8
83.08598	1.9
84.08123	1.5
85.06541	3.1
85.06971	0.7
91.05498	1.3
93.07010	1.7
95.08592	35.3
97.10142	2.3
98.09703	0.7
98.22587	0.9
98.97576	1.2
99.08060	1.0
105.07026	1.4
107.08562	1.7
109.10141	2.7
121.10156	0.9
121.99800	0.6
131.08549	1.5
133.10078	1.5
135.08060	0.8
137.13228	2.8
141.62308	0.6
144.08032	0.5
145.10115	0.9
149.02318	0.9
149.13222	0.8
154.15875	10.0
155.14256	0.8
162.05479	2.6
172.16940	100.0
173.13249	1.8
173.17328	1.9
175.06325	0.6
190.08528	3.0
190.17993	13.1
191.14288	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.6
55.85883	1.1
57.03408	1.4
57.07059	2.8
59.54865	0.9
64.19704	0.9
65.03941	1.7
65.73160	1.0
67.05505	5.5
69.03416	4.8
69.07056	10.2
69.98857	1.9
69.99205	2.9
71.04989	1.3
72.74834	1.1
77.03910	1.1
77.94823	0.9
79.05476	13.7
81.07047	8.3
83.04989	6.3
83.08614	3.6
85.06530	2.0
91.05458	18.8
93.07023	15.8
95.04952	2.8
95.08596	7.3
97.06503	3.1
98.23322	1.1
99.16531	1.1
103.05433	2.1
105.07018	27.7
107.08578	95.5
108.08846	1.5
109.06503	5.1
109.10139	4.0
111.08082	1.2
115.05466	1.4
117.06992	4.2
119.06056	1.7
119.08567	22.8
121.06475	4.2
121.10128	32.8
122.10453	1.3
123.08021	2.5
125.46812	1.0
128.06200	1.2
129.06992	3.7
131.04933	1.4
131.08546	27.3
133.10112	45.1
134.10472	1.3
135.08034	11.7
135.11659	10.5
143.08499	7.8
144.09299	3.9
145.10109	20.5
147.11681	11.8
149.09595	5.0
149.13239	15.6
150.10338	1.3
158.10896	13.3
160.05116	1.5
161.09633	2.5
161.13377	1.1
163.14798	15.4
173.13237	51.6
174.13597	1.3
176.11911	1.7
188.06044	1.0
191.14281	100.0
192.14613	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	2.2
54.31441	1.2
55.01854	1.4
55.05498	4.7
57.03421	1.2
57.07060	2.4
59.04989	1.6
65.29008	1.0
65.33788	1.2
67.05497	6.7
69.03426	10.9
69.07059	9.7
71.04971	3.3
71.07320	1.4
75.91876	1.1
77.03924	1.4
79.05485	8.6
81.07047	9.2
83.04960	10.9
83.08604	3.5
85.06545	2.9
86.85482	1.1
91.05469	17.9
91.90839	1.5
93.06506	2.0
93.07036	17.8
95.04931	2.4
95.08585	9.0
97.06515	8.6
103.05468	1.7
105.07014	39.1
105.07732	2.3
107.04927	2.4
107.08585	39.0
109.06533	5.5
109.10135	5.4
111.08021	1.6
117.06985	3.5
118.07800	2.7
119.08565	19.3
120.02458	1.3
121.06480	8.4
121.10127	25.0
123.08090	5.6
129.06987	4.7
130.07799	2.7
131.08551	41.0
133.06494	1.6
133.10110	89.9
134.10443	1.9
135.08023	17.7
135.11671	3.9
143.08516	11.3
143.21115	1.5
144.09314	4.3
145.10107	19.1
147.08018	1.4
147.11671	12.3
148.08829	2.1
149.09595	9.9
149.13242	19.3
158.10904	17.2
161.09573	3.5
163.14809	4.4
171.11722	1.6
173.13240	57.0
176.11998	2.4
191.14282	100.0
192.14697	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01857	3.7
55.05502	14.4
57.03437	2.6
57.07060	5.3
57.55313	1.8
67.05492	7.0
69.03414	11.5
69.07061	13.9
69.24014	3.4
69.24376	10.1
71.04994	2.9
79.05472	15.6
81.07045	12.7
83.04977	11.8
83.05407	1.9
83.08610	5.2
85.06552	2.6
90.46786	1.6
91.05474	22.1
93.07021	26.5
95.04955	5.0
95.08591	15.7
97.06513	6.5
103.05454	2.8
105.07021	35.0
107.04977	2.5
107.08584	51.9
109.06501	9.0
109.10153	5.7
115.05417	2.0
116.06200	2.6
117.07002	6.7
119.08563	17.6
121.06483	11.4
121.10128	43.5
123.08072	5.5
129.06990	5.4
130.07790	2.2
131.04907	4.3
131.08545	37.5
133.06465	2.7
133.09166	3.7
133.10103	39.4
135.08031	23.9
135.11661	8.3
137.09631	3.2
143.08565	8.9
144.09338	3.5
145.06474	1.8
145.10103	21.0
147.08023	1.8
147.11650	14.0
149.09595	63.3
149.13223	25.6
158.10921	15.3
162.10371	2.8
163.07509	1.9
163.11156	4.1
163.14795	11.8
171.11642	1.9
173.09689	2.7
173.13232	56.7
191.06894	4.0
191.14290	100.0
192.04012	2.0
192.14645	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01870	0.8
55.05498	4.0
57.03426	1.1
57.07047	1.5
59.04973	3.0
65.03909	1.1
67.05492	6.9
69.03425	4.8
69.07060	8.1
71.04970	3.7
79.05483	10.1
81.07046	10.6
83.04945	2.8
83.08616	5.1
85.06517	2.3
90.25047	0.8
91.05462	19.0
93.07023	11.8
95.04952	4.2
95.08578	11.1
97.06509	9.0
98.23499	1.7
103.05441	3.0
105.07011	39.9
106.07334	1.2
107.04936	1.0
107.08578	27.7
109.06512	8.0
109.10131	6.6
109.31563	0.7
111.08068	2.6
115.05437	1.9
117.06996	4.6
118.04140	0.9
118.07833	0.9
119.08556	15.9
121.06481	5.7
121.10133	14.7
122.94816	0.8
123.08031	7.3
128.06239	1.0
129.06999	3.3
130.07776	2.2
131.04884	0.9
131.08539	35.9
133.10106	100.0
134.10425	2.4
135.08023	13.2
135.11658	3.7
141.10170	0.8
143.08517	8.2
144.09323	3.4
145.10103	15.9
145.17307	1.0
147.07961	1.6
147.11656	8.8
148.08795	1.6
149.09595	12.5
149.13225	14.4
151.29402	0.9
158.10878	11.7
161.13211	1.8
163.07542	1.7
163.11162	2.4
163.14783	4.2
171.11563	1.4
173.13226	49.7
174.13625	1.1
191.06845	1.4
191.14272	57.3
192.14580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.23306	0.9
53.03949	1.4
55.05504	4.0
67.05494	4.6
69.03422	14.8
69.07068	8.8
69.31638	0.9
70.59766	2.0
70.84154	1.2
79.05480	14.0
81.03419	1.2
81.07038	9.9
83.04971	4.2
83.08629	1.4
85.06556	1.5
91.05456	9.7
93.07030	9.1
95.04978	2.3
95.08611	4.0
98.23415	1.0
103.05460	1.7
105.07010	15.5
106.14856	1.0
107.04927	5.4
107.08572	29.4
107.09242	1.9
109.06477	2.6
109.10130	11.0
115.05591	1.3
117.06982	2.4
118.07838	1.4
119.08575	6.2
121.06499	3.2
121.10122	19.5
122.07266	1.3
123.08072	1.3
129.06970	1.3
131.08548	13.1
133.10103	100.0
134.10451	1.5
135.08046	5.7
135.11708	3.0
137.09596	17.1
143.08562	4.4
144.09338	1.5
145.10115	6.8
147.11630	5.3
149.09578	5.1
149.13237	15.1
158.10892	6.4
163.14810	3.8
168.49100	0.9
173.13225	19.4
174.13573	1.4
191.14272	32.1
192.14528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89276	0.8
53.03928	1.4
53.90636	0.8
55.05494	3.8
57.03421	1.4
57.07064	0.9
64.70567	0.9
67.05501	4.8
69.03423	16.3
69.07063	8.7
69.59942	3.1
75.45301	0.8
77.03932	1.0
79.05481	12.1
81.03388	1.1
81.07050	10.8
82.05521	1.0
83.04993	4.2
83.08582	1.2
85.06544	1.1
89.79771	0.8
91.05463	10.4
93.07037	11.5
95.04946	2.4
95.08578	6.1
98.22726	1.1
103.05449	2.3
105.07015	18.1
107.04934	5.1
107.07822	1.5
107.08573	30.8
109.06493	3.1
109.10159	10.0
114.06670	0.8
115.05435	1.5
116.49673	0.8
117.06995	2.9
119.08563	6.5
121.06497	5.3
121.10123	20.4
122.07260	2.2
123.08034	2.5
129.06978	1.0
131.08546	10.1
133.10109	100.0
134.10413	1.5
135.08041	5.8
135.11664	4.7
137.09596	12.6
143.08533	3.2
144.09332	1.4
145.10109	6.2
147.11667	9.4
149.09615	4.8
149.13231	18.5
158.10878	6.6
163.14801	3.4
173.13229	19.6
191.14278	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05492	5.4
57.07077	2.1
59.04982	2.1
62.59343	1.5
64.80623	1.3
65.41235	1.1
67.05486	4.6
69.03416	2.5
69.07058	10.4
69.84820	4.9
71.04975	2.1
76.13476	1.4
79.05487	16.3
81.07044	6.4
83.04935	1.9
83.08593	3.9
85.06532	1.9
91.05467	20.2
93.07029	19.1
95.04947	4.1
95.08591	9.2
97.06509	4.7
105.07015	26.4
107.08581	100.0
109.06509	5.2
109.10109	2.9
111.08086	1.6
115.74436	1.3
117.06991	3.1
119.06023	1.4
119.08567	27.8
121.06495	2.6
121.10126	38.0
123.08009	2.8
129.07011	2.1
131.08556	23.4
133.10110	48.1
135.08076	7.7
135.11685	15.4
143.08546	5.4
144.09279	2.9
145.10089	15.1
147.11670	11.3
149.09576	3.3
149.13225	10.6
158.10890	10.9
163.14812	13.8
173.13235	47.7
174.13634	1.7
191.14288	84.9
192.14516	1.4
214.19240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.7
55.05489	1.1
57.07065	0.4
59.99815	0.3
66.90165	0.3
67.05482	0.6
69.03422	0.4
69.07061	13.4
69.13122	2.3
77.03915	0.4
77.78670	0.3
79.05464	2.1
81.07036	1.6
83.04966	1.5
83.08590	0.6
83.39047	0.3
91.05462	5.1
91.05985	0.5
93.07034	12.9
94.47446	0.3
95.04941	0.9
95.08601	2.0
97.06522	2.1
98.22644	0.6
105.04523	0.6
105.07029	3.3
107.08581	9.5
109.06506	0.8
109.10121	0.9
113.39909	0.3
115.05516	0.4
117.07009	2.2
117.67024	0.3
119.06011	0.6
119.08566	2.4
121.06490	16.8
121.10126	7.9
123.08049	1.8
130.07744	0.4
131.08542	3.9
133.10120	6.0
135.08044	6.9
135.11658	2.9
136.62549	0.3
137.09595	1.8
143.08551	1.2
145.10100	2.8
147.11667	26.0
148.11989	0.4
149.09608	3.1
149.13235	9.7
158.10893	1.4
161.09592	7.0
163.07555	0.4
163.11133	0.7
163.14839	1.8
173.13243	9.0
176.11897	2.2
191.14281	100.0
192.14597	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.87331	0.3
55.01867	4.1
55.05500	1.5
55.92669	0.4
57.07051	0.6
67.05501	0.7
69.07058	16.3
77.03891	0.8
79.05476	2.5
81.07037	1.0
83.04950	1.3
83.08616	0.4
91.05459	4.9
93.07031	12.6
95.04939	1.3
95.08595	2.5
97.06522	2.2
105.03376	0.6
105.04464	0.5
105.07007	2.9
107.08582	9.4
107.09328	0.5
109.06493	1.0
109.10150	1.0
115.05435	0.7
117.06968	1.7
119.08574	2.9
121.06489	16.8
121.10118	7.6
123.08012	2.1
129.07004	0.4
131.08565	3.5
133.10110	5.8
135.08031	7.6
135.11652	3.2
137.09569	1.1
145.10086	3.3
147.11664	24.5
149.09653	3.0
149.13239	7.2
158.10878	1.1
161.09578	7.2
163.11160	0.9
163.14793	1.2
173.13245	8.3
176.11877	1.9
191.14276	100.0
192.14677	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05505	5.3
57.03433	1.2
57.07072	1.5
64.61214	0.6
65.03922	1.2
67.05501	5.3
69.03423	15.6
69.07061	6.8
70.02821	0.7
77.03955	1.3
79.05483	14.0
81.07046	11.9
83.04975	5.2
83.08598	1.3
85.06516	0.9
91.05465	10.7
92.05914	0.8
93.07031	10.8
95.04959	2.3
95.08589	6.2
97.06523	1.3
98.23425	1.9
103.05480	2.2
105.07021	19.0
107.04945	5.4
107.08575	29.4
109.06497	8.9
109.10127	10.4
111.08082	0.7
113.35544	0.7
115.05451	3.0
117.06986	3.8
118.07803	1.4
119.08553	5.3
121.06481	4.9
121.10124	18.6
122.07287	3.3
123.08052	2.6
127.02985	0.7
129.07021	1.2
130.07750	2.0
131.08551	12.0
133.10112	100.0
134.10449	1.5
135.08022	6.6
135.11653	5.2
137.09598	11.7
143.08554	3.6
144.09383	2.0
145.10095	10.3
147.08014	1.2
147.11665	4.9
148.04811	1.4
149.09587	3.7
149.13231	13.4
155.08560	1.0
158.10889	7.3
161.09644	0.9
163.07574	1.6
163.14819	3.6
173.09621	3.0
173.13240	19.4
176.04521	0.9
191.06662	3.0
191.08447	1.5
191.10585	2.0
191.14272	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1017
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
52.98645	0.2
56.96551	1.7
69.03391	0.2
69.37678	0.4
69.38089	0.8
71.48711	0.2
72.93784	0.4
90.94811	0.4
91.05434	0.7
93.07018	0.3
94.06541	1.0
95.04950	0.3
98.97527	0.3
99.00813	0.4
104.05008	0.3
105.06976	0.4
106.06528	0.6
116.10718	0.2
118.06514	0.6
119.04858	0.4
120.08027	0.2
132.04410	0.7
132.95834	1.0
146.05977	4.2
146.07906	0.3
148.07539	3.0
149.01170	0.6
149.08348	7.0
150.01587	0.4
150.05452	0.5
150.96832	1.8
151.07487	0.3
160.05042	0.7
162.05507	0.2
164.07068	0.9
164.10719	0.3
168.98019	0.3
174.05513	1.1
176.07043	1.1
177.07823	54.1
178.08141	1.3
186.99127	0.8
192.06619	2.5
192.10162	100.0
193.10553	2.5
195.01582	0.5
205.00169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1381
Annotation	DEET
Peak:m/z	Relative Intensity
52.61425	0.2
52.69572	0.2
52.77930	0.2
55.68806	0.2
61.51000	0.2
65.03918	1.0
67.05485	0.5
69.11337	0.2
70.50130	0.2
71.37207	0.2
72.04504	6.8
72.08141	0.5
81.03419	0.4
91.05464	8.2
100.07606	6.0
106.79418	0.3
109.06504	10.5
117.58303	0.2
118.06509	0.4
119.04926	100.0
119.05962	4.0
120.05240	1.2
132.37804	0.2
134.94518	0.2
164.72470	0.2
192.13799	36.1
193.14130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.05508	0.6
55.10719	0.3
55.87975	0.3
57.67675	0.3
65.33264	0.3
68.51131	0.3
70.60173	0.6
72.08145	19.7
77.03902	1.6
79.05482	0.9
80.92866	0.3
95.04960	4.0
105.03376	100.0
106.03661	1.7
118.94804	0.3
122.06017	2.2
130.94995	0.3
134.05995	5.3
142.80165	0.3
176.10681	49.4
176.20219	0.3
177.11006	1.2
193.13339	8.4
193.15854	0.3
194.15324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.52102	1.5
55.05256	1.9
55.05503	24.7
57.03419	2.0
57.07073	10.1
59.04988	3.8
67.05156	2.4
67.05495	39.1
67.05851	2.0
69.03415	10.3
69.07062	24.1
70.57983	2.9
70.58320	1.8
71.04973	2.5
71.08629	2.5
79.05476	15.0
81.07047	30.0
83.04973	13.3
83.08602	12.8
85.06533	23.1
91.05456	8.8
93.07030	34.4
95.04950	4.6
95.08591	52.2
97.06490	3.3
97.10160	3.7
99.08078	80.0
105.07020	17.2
107.08575	47.2
109.06504	15.6
109.10139	100.0
111.08013	7.0
117.07037	1.7
119.08564	40.8
121.10127	26.1
122.07289	2.1
123.08059	30.1
123.11677	14.2
125.09614	2.6
133.10104	42.7
135.11678	64.2
137.09595	42.1
138.10379	3.6
139.11079	1.7
147.11678	4.7
147.78471	1.6
149.13248	9.1
151.11151	12.0
151.14828	6.1
165.16379	4.1
175.14801	40.5
186.01736	1.4
193.15855	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.44517	0.7
55.01845	1.1
55.05510	6.6
57.07060	3.7
59.35744	0.7
61.26368	0.7
67.05496	8.8
68.10545	0.8
69.07057	11.5
79.05486	6.7
81.07055	10.4
83.04958	2.2
83.08595	3.8
85.06507	2.2
91.05460	9.4
93.07043	10.4
95.04956	2.8
95.08591	22.4
97.06513	1.6
98.22606	1.7
99.04456	0.9
99.08085	2.1
103.05449	1.8
105.07020	25.2
107.04961	0.9
107.08582	9.4
109.06501	3.1
109.10141	19.7
115.05424	0.8
117.06990	2.2
118.04224	1.2
119.08562	59.3
120.08853	1.3
121.10133	6.1
123.08051	4.7
123.11678	2.8
131.08513	2.6
133.06534	4.4
133.10107	72.7
134.10365	1.4
135.08028	2.9
135.11673	17.7
137.05930	1.6
137.09595	7.9
145.10066	5.3
147.08104	1.6
147.10556	1.5
147.11658	22.7
149.13252	6.3
150.06778	1.2
151.11198	1.0
151.14825	4.6
157.10010	1.3
159.11658	1.5
160.12468	3.8
161.05936	2.8
165.09123	1.8
165.12674	1.9
173.13203	1.7
175.11429	3.6
175.14795	100.0
176.15111	2.5
193.08577	3.3
193.10541	0.8
193.12184	3.8
193.15874	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	193.1585
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03931	1.7
55.01860	1.8
55.05499	13.6
57.03417	2.5
57.07059	3.8
67.05496	15.8
69.03416	4.6
69.07050	15.4
71.04974	5.9
73.59789	1.2
77.03901	1.6
79.05478	10.2
81.03402	2.4
81.07053	16.9
83.04971	9.2
83.08597	12.2
85.06530	4.0
85.80531	1.6
91.05461	11.1
93.07021	17.1
93.09901	1.1
93.36028	1.1
95.04945	5.7
95.08589	34.6
97.06512	7.1
97.10139	3.1
99.04053	1.4
99.08084	2.5
103.05421	2.8
105.07009	25.8
107.08577	31.8
109.06494	15.4
109.10139	36.1
111.08060	11.6
115.05444	3.1
118.04124	1.8
119.08559	45.9
121.10119	27.5
123.08042	35.2
123.11681	9.3
125.09617	2.4
131.08574	2.5
133.06447	9.9
133.10101	34.8
135.08141	1.6
135.11667	37.6
137.05988	2.1
137.09590	48.7
137.13237	3.5
138.10350	5.5
145.09981	1.7
147.11646	8.2
149.13228	14.7
150.06621	1.3
151.11174	6.6
151.14809	4.3
161.05948	7.1
165.12744	16.4
165.16347	4.3
175.14796	44.8
193.08575	5.4
193.15855	100.0
194.16216	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.38008	2.5
55.05500	25.1
57.07062	8.6
59.61178	2.7
67.05202	3.1
67.05497	33.5
69.03415	11.8
69.07053	27.5
70.50980	2.4
71.04981	6.0
79.05476	23.4
81.03412	7.4
81.07047	36.2
83.04973	21.9
83.08594	15.1
85.06519	3.7
91.05481	17.0
93.07035	27.8
95.04950	14.0
95.08593	63.1
97.06508	7.3
99.08070	6.0
103.05437	9.1
104.06126	2.6
104.48162	2.5
105.03376	3.5
105.07021	73.7
107.04955	4.2
107.08584	56.2
109.06509	24.2
109.10142	73.0
111.08086	12.5
115.05436	10.6
117.06957	5.5
118.04134	5.5
119.07735	4.8
119.08562	68.1
121.10136	32.4
123.08047	40.7
123.11697	12.6
125.09589	4.7
131.08559	8.2
133.06491	38.2
133.10110	80.5
135.11670	85.7
137.05972	3.8
137.09599	31.5
138.10405	2.9
143.06023	4.9
145.10176	6.3
147.11673	16.2
149.13245	21.4
151.11165	10.6
151.14813	6.3
160.12459	3.0
161.05959	30.8
165.16417	5.9
175.14787	80.5
193.04948	6.1
193.07051	3.7
193.08591	21.7
193.10124	5.2
193.12180	4.9
193.15854	100.0
210.53508	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	194.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05505	2.4
56.05024	2.7
56.96553	1.5
57.03418	1.0
57.07073	0.8
58.02936	0.5
60.04517	100.0
67.05496	5.1
67.23043	0.5
68.05025	0.6
69.03410	1.0
69.07060	4.7
70.05303	1.2
70.06573	0.5
71.04987	6.7
72.04504	1.3
72.91008	0.4
74.06059	1.0
79.05482	2.7
80.04595	0.5
80.04990	2.6
81.03405	1.5
81.07047	5.3
82.01418	0.7
83.08594	0.4
83.13339	0.4
84.04482	0.6
85.02874	0.6
85.06530	5.0
86.34711	0.6
87.04451	0.5
88.07576	0.5
90.05544	1.3
91.05471	0.8
93.07034	3.6
94.06555	1.5
95.04948	2.0
95.08593	5.5
96.08114	1.1
97.06513	4.1
99.08085	5.9
100.02469	1.5
105.07014	1.4
109.52308	0.4
110.09678	1.2
111.08056	3.5
122.09621	2.6
123.08035	3.4
125.21780	0.5
128.10692	5.8
140.10675	4.3
141.09047	2.5
143.01830	0.4
158.11737	7.5
159.10159	0.7
176.07162	0.5
176.12805	7.4
189.00542	0.5
194.13847	17.0
195.13878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01864	1.1
55.05508	2.5
57.03430	0.6
57.07066	0.7
63.02365	1.1
64.98074	0.5
65.03931	1.1
67.05480	2.5
69.03418	1.3
69.07046	2.7
71.01339	1.9
71.04986	0.8
71.11539	0.6
72.70271	0.4
78.04704	1.4
79.05476	5.9
81.03413	2.5
81.07045	3.2
83.01332	0.9
83.04971	3.4
83.08645	0.7
84.91602	0.4
85.06541	0.7
87.50316	0.4
89.03899	24.6
89.06025	0.6
90.04246	0.5
91.05462	6.5
93.03360	0.5
93.07035	6.6
95.04948	4.9
95.08592	3.1
97.02871	0.5
97.06512	1.6
99.08062	0.8
103.05472	2.1
105.04494	1.2
105.07018	2.6
106.04156	1.9
107.04935	8.0
107.08582	5.5
108.04471	0.4
109.06522	2.2
109.10117	1.4
111.04416	1.3
111.08048	2.2
115.05427	0.8
117.03356	48.7
117.07001	1.8
118.03688	1.0
119.04904	0.9
119.08554	1.3
121.06467	3.4
121.10133	2.8
123.08022	0.5
124.05199	0.7
125.05978	1.8
125.09628	1.2
127.07533	0.8
129.07013	0.5
131.04947	0.6
131.05962	0.4
131.08528	1.6
133.06425	0.5
133.10164	0.7
134.03607	8.7
135.04388	8.1
135.08035	10.3
135.11639	3.2
136.03897	0.7
137.05969	0.8
137.09592	4.1
137.13214	0.5
138.06587	0.6
139.07529	3.4
145.02820	89.5
146.03130	1.5
147.04333	0.6
148.97333	0.8
149.05954	22.1
149.09575	1.7
149.13223	1.3
150.06406	0.4
151.07541	0.6
151.11172	0.5
153.05449	2.8
153.09070	1.0
154.04951	1.3
154.06091	0.5
159.11607	1.0
162.03102	1.9
163.03876	10.7
163.07506	2.7
164.03357	0.6
167.03352	0.6
167.06979	1.2
176.15140	0.4
177.05435	100.0
177.12686	2.9
177.16328	0.7
178.05827	2.6
182.04419	3.4
186.05460	1.1
194.15376	1.4
194.70975	0.4
195.01225	0.5
195.02956	0.7
195.04890	0.6
195.06474	1.6
195.08159	1.1
195.10039	2.4
195.11876	0.8
195.13754	4.1
195.15601	1.0
196.05923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03919	0.4
55.01864	1.1
55.05508	2.5
57.03430	0.6
57.07066	0.7
63.02365	1.1
64.98074	0.5
65.03931	1.1
67.05480	2.5
69.03418	1.3
69.07046	2.7
71.01339	1.9
71.04986	0.8
71.11539	0.6
72.70271	0.4
78.04704	1.4
79.05476	5.9
81.03413	2.5
81.07045	3.2
83.01332	0.9
83.04971	3.4
83.08645	0.7
84.91602	0.4
85.06541	0.7
87.50316	0.4
89.03899	24.6
89.06025	0.6
90.04246	0.5
91.05462	6.5
93.03360	0.5
93.07035	6.6
95.04948	4.9
95.08592	3.1
97.02871	0.5
97.06512	1.6
99.08062	0.8
103.05472	2.1
105.04494	1.2
105.07018	2.6
106.04156	1.9
107.04935	8.0
107.08582	5.5
108.04471	0.4
109.06522	2.2
109.10117	1.4
111.04416	1.3
111.08048	2.2
115.05427	0.8
117.03356	48.7
117.07001	1.8
118.03688	1.0
119.04904	0.9
119.08554	1.3
121.06467	3.4
121.10133	2.8
123.08022	0.5
124.05199	0.7
125.05978	1.8
125.09628	1.2
127.07533	0.8
129.07013	0.5
131.04947	0.6
131.05962	0.4
131.08528	1.6
133.06425	0.5
133.10164	0.7
134.03607	8.7
135.04388	8.1
135.08035	10.3
135.11639	3.2
136.03897	0.7
137.05969	0.8
137.09592	4.1
137.13214	0.5
138.06587	0.6
139.07529	3.4
145.02820	89.5
146.03130	1.5
147.04333	0.6
148.97333	0.8
149.05954	22.1
149.09575	1.7
149.13223	1.3
150.06406	0.4
151.07541	0.6
151.11172	0.5
153.05449	2.8
153.09070	1.0
154.04951	1.3
154.06091	0.5
159.11607	1.0
162.03102	1.9
163.03876	10.7
163.07506	2.7
164.03357	0.6
167.03352	0.6
167.06979	1.2
176.15140	0.4
177.05435	100.0
177.12686	2.9
177.16328	0.7
178.05827	2.6
182.04419	3.4
186.05460	1.1
194.15376	1.4
194.70975	0.4
195.01225	0.5
195.02956	0.7
195.04890	0.6
195.06474	1.6
195.08159	1.1
195.10039	2.4
195.11876	0.8
195.13754	4.1
195.15601	1.0
196.05923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03926	4.5
55.01862	2.5
55.05506	12.7
57.03413	3.0
65.03909	2.8
67.05496	51.5
69.07062	10.4
69.16888	4.6
69.17304	2.9
70.58733	1.1
71.04980	4.8
77.03886	1.6
77.36234	1.3
79.05479	34.7
81.03403	9.4
81.07047	100.0
83.04987	9.8
83.08601	6.9
85.06509	3.5
89.06023	2.9
91.05466	21.1
93.07031	62.4
95.04941	7.4
95.08596	38.8
97.06542	9.7
97.10149	1.6
105.07012	9.0
107.04972	1.3
107.08585	27.9
109.06505	3.8
109.10127	3.6
111.08049	4.5
115.05397	1.4
115.75870	1.2
117.07014	7.7
119.08545	2.7
121.06477	5.4
121.10078	6.9
123.08034	2.4
131.08569	9.6
133.10115	16.1
135.08057	4.0
135.11688	37.8
147.11696	1.6
148.97351	1.7
149.09650	2.1
149.13245	15.5
151.11095	1.3
153.09099	1.5
153.97992	1.4
159.11673	16.0
164.03465	1.8
171.98895	2.5
172.34947	1.3
177.12738	14.7
195.08110	4.7
195.11427	1.2
195.12160	1.2
195.13777	12.3
195.15720	4.0
196.06042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	3.9
55.01868	3.6
55.05504	12.9
57.03414	3.9
57.07054	1.7
59.29228	1.5
65.03935	2.3
67.05497	54.7
68.05856	1.4
68.96311	1.9
69.03442	1.5
69.07062	12.4
71.04980	5.6
79.05491	37.4
81.03408	9.3
81.07048	100.0
82.07401	1.8
83.04989	9.8
83.08619	5.7
85.06538	3.1
89.06029	2.7
91.05471	27.6
91.06043	1.9
93.07032	57.1
95.04969	9.6
95.08595	41.0
97.06512	10.7
98.22699	4.7
103.05486	1.8
105.07030	11.9
107.04945	1.5
107.08582	27.8
108.83273	1.4
109.06480	3.6
109.10160	2.6
111.08096	2.7
113.05991	1.6
117.06989	11.2
119.08599	3.5
121.06481	6.7
121.10126	9.6
124.10667	1.3
125.71929	1.4
126.46049	1.6
131.08598	9.8
133.10112	18.1
135.08058	3.7
135.11681	36.2
148.97360	6.9
149.09630	3.1
149.13243	16.1
159.11681	14.5
164.03278	2.5
171.98862	2.3
177.12718	16.0
195.08044	8.9
195.12166	2.0
195.13792	12.9
195.15694	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	5.2
53.94083	1.6
55.01853	2.3
55.05284	2.2
55.05506	20.2
57.03424	5.8
57.07073	3.0
63.73222	1.6
65.03918	3.6
66.24387	1.7
67.05494	77.9
69.03428	4.2
69.07059	18.2
69.77269	1.6
71.04982	8.6
79.05479	54.3
79.18721	1.7
81.03407	29.8
81.07047	100.0
83.04976	32.6
83.08595	10.7
85.06528	6.3
87.04472	1.9
89.06010	4.6
91.05465	43.6
93.07034	68.4
95.04955	15.0
95.08594	43.8
97.06516	23.1
98.22659	5.5
99.08061	2.8
105.04489	4.7
105.07026	16.6
107.04963	4.2
107.08581	30.3
108.04443	2.4
109.06532	5.1
109.10129	3.6
111.08060	6.4
113.05997	1.8
117.07001	19.4
119.08585	3.7
121.06509	10.2
121.10139	8.1
123.08084	2.6
125.09615	2.4
131.08536	19.1
131.30161	1.9
133.10081	19.1
135.08008	7.7
135.11674	29.4
136.03940	1.8
146.48766	1.7
148.97314	2.3
149.09660	2.7
149.13228	17.8
149.97157	4.7
151.11169	2.1
154.04961	2.2
159.11678	21.7
164.03409	6.2
165.51913	1.8
171.98907	2.6
177.12729	12.1
195.11993	3.5
195.13799	23.9
195.15672	5.6
196.06082	4.1
196.16879	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01868	7.3
55.05254	2.3
55.05507	28.4
57.07073	6.8
67.05500	14.8
69.03419	13.0
69.07059	62.4
69.84137	5.7
70.65874	1.6
71.04970	8.7
79.05473	11.1
79.42670	1.6
79.87088	1.6
81.07043	53.5
81.07492	3.5
83.04971	3.6
83.08606	25.2
85.06533	9.0
91.05489	6.0
93.07038	29.6
95.04987	1.8
95.08598	83.5
97.06511	2.3
97.10165	14.0
98.22755	2.2
99.07441	3.5
99.08080	60.7
105.07024	5.3
107.04953	5.3
107.08580	65.1
109.10143	21.9
111.08070	22.7
111.11730	7.1
113.09617	10.1
117.03347	2.6
119.08558	2.2
121.10130	92.2
123.11723	9.2
125.09620	51.3
133.10054	2.0
135.11685	22.8
137.13229	27.0
139.11176	6.0
145.02853	4.8
149.13271	4.8
154.04971	1.8
156.92393	1.7
163.07539	1.6
167.07013	2.5
177.05481	3.1
177.16359	100.0
178.16658	2.1
195.17419	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03922	1.7
55.01859	7.7
55.05503	29.2
57.07066	9.1
59.04997	2.2
61.76031	1.5
67.05491	13.3
69.03428	16.5
69.07059	59.7
69.28122	7.8
71.04977	10.5
71.08625	2.0
79.05479	14.4
81.07044	47.2
83.04946	3.8
83.08609	25.6
85.06527	10.6
87.56790	1.4
91.05475	5.4
93.07036	29.3
95.08595	74.5
97.06523	2.4
97.10148	14.6
99.08081	55.0
105.07018	6.6
105.07722	1.5
107.04949	3.0
107.08578	59.9
109.10126	18.6
111.08071	19.0
111.11687	8.9
113.09642	8.1
119.08553	2.2
119.74068	1.5
121.10131	83.9
122.10506	1.9
123.11696	7.5
125.05985	3.1
125.09613	46.2
135.11674	21.7
137.13234	25.2
139.11156	4.1
145.02827	4.5
149.13243	7.3
177.05408	5.7
177.16359	100.0
178.16730	2.2
195.17413	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92368	0.2
52.01899	0.6
53.03948	1.5
53.04155	0.2
58.02957	1.7
63.02365	0.4
65.03932	1.9
68.01376	1.8
69.33673	1.0
73.30171	0.2
78.03437	1.9
79.05491	0.6
80.01364	0.5
80.05005	5.5
80.84737	0.3
81.03400	1.9
82.02929	0.7
90.03421	1.1
92.04977	0.4
93.02123	3.1
94.02920	0.6
95.01315	0.3
95.05019	0.3
98.22709	0.4
106.02900	2.9
107.03725	0.3
107.04948	1.4
108.04461	30.5
109.02860	1.4
109.05257	9.0
110.06046	0.4
111.04415	0.6
111.98453	0.3
112.03944	0.3
118.02877	0.4
122.02394	1.8
123.03201	0.3
126.05502	0.9
131.96111	0.4
132.95808	0.6
135.03123	1.3
136.03915	48.4
137.04738	0.6
149.97156	0.5
150.05476	1.9
150.96924	0.5
151.02631	0.7
152.03407	4.9
153.04126	0.5
154.04965	32.1
155.05278	0.5
164.03398	100.0
165.03838	1.7
166.04991	0.8
167.05710	0.3
168.06541	10.5
169.06885	0.3
182.04466	0.6
196.06020	47.7
196.16934	0.7
197.06415	0.8
200.37962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.1331
Annotation	Magnosprengerine
Peak:m/z	Relative Intensity
56.96561	2.2
58.06591	15.7
60.08148	0.5
65.03933	0.9
65.47292	0.3
67.05490	0.4
69.26857	0.4
69.27264	0.9
70.95839	0.3
77.03891	0.4
79.05470	0.5
81.07037	0.4
91.05467	30.3
92.05822	0.4
93.07025	0.2
94.06567	0.3
95.04957	6.4
95.08595	0.3
97.02845	0.3
98.97590	0.7
107.04868	0.2
108.05688	0.4
111.98487	0.3
116.98593	0.3
118.06534	0.3
119.04928	26.0
120.05248	0.3
121.06491	0.6
123.08058	0.9
132.95828	0.6
136.05171	4.0
136.92143	0.3
136.93085	0.3
137.05977	4.2
138.28372	0.3
142.63358	0.2
146.06007	1.0
149.97160	0.2
150.05476	0.5
150.09151	0.5
150.96921	0.5
151.07518	100.0
152.07922	1.9
154.94168	0.6
155.97403	0.4
164.07076	0.4
165.05429	1.5
168.10141	0.5
171.31715	0.2
172.94266	1.3
172.95483	0.5
173.98442	0.6
178.04942	0.5
178.07275	0.5
178.08643	0.5
181.07300	1.2
188.05916	0.6
190.95280	1.0
196.06094	0.5
196.08191	0.8
196.09665	2.2
196.13303	14.7
218.23991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.07899	0.3
52.42860	0.3
55.01861	2.4
55.05507	0.5
55.18584	0.3
60.49095	0.2
65.03937	1.6
67.05500	2.1
69.26260	1.3
70.95841	0.4
72.93761	0.3
73.02908	21.3
77.03893	0.5
79.05505	0.5
80.56533	0.3
81.07059	0.6
83.04990	0.3
91.05475	2.6
93.03390	0.9
93.07045	0.6
95.04971	1.5
95.08599	0.7
95.67547	0.3
105.03355	0.3
105.07005	0.7
107.08604	0.9
108.02083	2.2
109.10155	0.5
110.03647	2.5
111.04448	1.7
111.98463	0.4
119.04902	1.6
121.06549	0.3
123.04396	0.5
123.08059	0.6
125.05975	15.7
126.95245	0.3
132.95802	0.9
136.01503	0.5
137.05949	1.2
141.05463	3.3
147.04395	1.5
149.05940	3.1
150.96910	1.4
151.03888	100.0
151.04985	9.6
151.07425	3.6
151.11192	0.7
152.04205	1.5
155.97427	0.6
166.04964	0.5
173.98468	0.6
179.07004	18.7
179.10367	0.5
179.14313	0.4
180.07298	0.4
197.08055	5.4
198.18506	4.3
212.34662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03160	0.3
55.01863	2.0
55.05485	0.6
57.07040	0.3
58.77677	0.3
65.03928	2.4
67.05502	2.0
69.03429	0.3
69.07038	0.3
70.95847	0.5
70.99294	0.3
73.02908	19.5
75.20480	0.3
77.03914	0.6
79.05489	0.5
81.07031	0.4
83.08634	0.3
91.05474	3.2
93.03382	0.9
93.07041	0.4
93.23710	0.2
95.04956	2.2
95.08573	0.5
100.21383	0.2
103.34355	0.3
105.04522	0.4
105.07023	0.5
107.04952	0.3
107.08572	0.6
107.30501	0.3
108.02084	2.3
109.02855	0.4
109.06503	0.4
110.03633	2.3
111.04448	1.8
111.08078	0.3
111.98500	0.3
116.63041	0.2
119.04917	2.0
121.03996	0.6
123.04364	0.3
123.08047	0.3
125.05975	14.0
126.06308	0.3
132.95830	1.0
137.05939	1.3
137.09569	0.4
141.05450	3.0
147.04361	1.5
149.05937	3.1
150.96927	1.3
151.03893	100.0
151.04999	11.5
151.07443	3.7
152.04247	1.6
155.97420	0.4
170.82813	0.3
173.98439	0.6
179.07014	17.4
180.07375	0.4
197.08069	4.6
197.11780	0.3
198.18500	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
50.42204	0.7
54.40679	0.6
55.01859	1.0
55.05512	2.0
57.03423	0.6
60.50189	0.6
61.02925	1.6
65.19522	0.5
67.05494	2.8
69.03418	2.0
69.07043	0.9
69.38335	1.1
69.38736	2.1
70.95870	1.0
72.93819	0.7
73.02913	1.5
77.03925	0.6
79.05476	7.1
81.07046	7.6
86.76883	0.8
91.05466	14.3
93.07034	17.7
93.07600	1.3
95.04945	2.0
95.08598	4.2
97.06522	1.4
105.06442	0.6
105.07014	29.4
107.08580	100.0
108.08873	1.1
109.06506	4.8
109.10150	4.6
115.05443	1.0
117.07014	0.7
118.07735	0.8
119.04919	1.9
119.06061	1.0
119.08569	13.7
121.06505	2.3
121.10126	16.7
123.08053	1.8
123.11686	2.6
125.05975	0.8
125.09654	1.5
128.06213	1.6
131.08549	3.0
132.95834	1.1
133.06496	1.4
133.10115	58.9
134.10487	1.2
135.08000	0.9
135.11684	1.6
137.05975	3.3
137.09616	2.2
139.07549	4.2
143.08536	2.2
146.07240	1.4
149.09607	10.1
150.96896	1.5
151.07536	3.4
151.11162	21.3
154.07724	0.7
161.09596	17.6
161.41965	0.6
167.10657	25.2
168.10995	0.9
173.98491	0.7
179.10645	38.8
180.10771	0.7
197.11697	44.9
198.12010	0.8
198.18488	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.01494	0.9
53.03926	1.7
55.01865	2.0
55.05492	4.8
57.07049	2.8
59.04987	2.3
59.47293	1.0
63.03403	1.1
65.03909	1.7
67.05503	5.6
69.03441	1.6
69.07054	1.7
70.54112	1.1
71.04512	2.2
71.04951	1.3
77.03910	3.5
79.05476	9.2
81.07043	8.6
83.04969	1.8
83.08604	1.1
83.77466	1.0
86.06104	1.2
91.05463	18.4
93.06447	1.4
93.07027	26.5
93.52489	1.1
95.04958	12.0
95.08578	4.2
97.06538	1.5
99.04411	1.2
103.05399	1.2
105.03379	45.1
105.04502	3.1
105.07010	31.7
105.07720	1.5
107.08578	67.6
108.08900	1.4
109.06509	6.8
109.10152	7.4
111.08047	1.6
111.98476	1.5
113.05923	1.6
119.04920	3.0
119.06085	1.3
119.08556	8.6
121.06479	6.0
121.10069	1.5
123.04395	4.8
123.11700	3.6
125.05972	3.6
126.34292	1.0
131.08525	3.0
132.95781	3.8
133.10109	63.9
134.10373	1.5
135.08011	2.1
135.11671	56.2
137.05963	7.9
137.09601	6.6
143.08537	1.2
146.07301	2.1
150.96846	3.6
151.07544	1.7
151.11151	6.8
153.23270	1.2
155.97371	1.8
161.09595	35.3
167.07036	2.0
173.98444	3.2
179.10641	100.0
180.10884	1.5
197.11691	73.7
197.95447	1.0
198.12090	1.4
198.18501	20.8
207.95976	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03936	1.5
55.01860	1.8
55.05505	4.2
56.96562	0.8
57.03415	0.4
57.07072	2.2
57.93568	0.5
65.03932	3.3
66.04698	0.4
67.05497	3.6
69.03419	0.5
69.07057	4.0
70.06578	0.9
70.48477	0.5
71.04953	0.4
71.08611	0.9
72.04496	0.6
72.08134	1.0
74.09700	3.0
77.03923	1.5
79.05483	1.2
81.03417	0.7
81.07040	1.5
83.04959	0.8
83.08602	2.9
86.06061	0.6
86.09669	0.6
89.06541	0.3
91.05471	1.1
91.95128	0.3
93.03390	1.0
93.07032	1.3
95.04956	31.1
95.08582	0.8
96.08090	0.4
96.08910	0.5
97.02872	2.3
97.06508	1.0
97.10177	1.7
98.97566	3.3
100.07582	1.7
105.04507	3.9
107.08571	0.6
109.06522	0.7
110.03696	1.5
111.04425	3.3
111.08082	0.6
111.11692	0.6
114.09104	0.4
116.97210	3.7
116.98591	2.3
120.02091	0.7
121.02841	2.2
121.04001	0.5
121.07622	0.4
121.10102	0.8
123.04414	14.5
125.02337	13.8
125.05967	0.7
131.99556	0.7
134.95906	0.4
134.99663	1.8
137.05969	0.6
139.03879	1.1
140.04662	100.0
140.10689	1.0
141.04965	1.0
142.12267	0.3
149.02423	0.4
152.96899	1.6
153.05489	0.3
155.07011	12.2
157.97418	0.4
163.08688	0.4
166.02565	0.7
167.03401	1.5
171.06569	0.4
173.08101	1.2
173.36440	0.3
175.98485	2.5
176.02280	0.6
177.00580	0.5
181.04939	4.0
198.18506	57.8
199.05942	1.4
199.18858	14.5
200.12775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03936	1.5
55.01860	1.8
55.05505	4.2
56.96562	0.8
57.03415	0.4
57.07072	2.2
57.93568	0.5
65.03932	3.3
66.04698	0.4
67.05497	3.6
69.03419	0.5
69.07057	4.0
70.06578	0.9
70.48477	0.5
71.04953	0.4
71.08611	0.9
72.04496	0.6
72.08134	1.0
74.09700	3.0
77.03923	1.5
79.05483	1.2
81.03417	0.7
81.07040	1.5
83.04959	0.8
83.08602	2.9
86.06061	0.6
86.09669	0.6
89.06541	0.3
91.05471	1.1
91.95128	0.3
93.03390	1.0
93.07032	1.3
95.04956	31.1
95.08582	0.8
96.08090	0.4
96.08910	0.5
97.02872	2.3
97.06508	1.0
97.10177	1.7
98.97566	3.3
100.07582	1.7
105.04507	3.9
107.08571	0.6
109.06522	0.7
110.03696	1.5
111.04425	3.3
111.08082	0.6
111.11692	0.6
114.09104	0.4
116.97210	3.7
116.98591	2.3
120.02091	0.7
121.02841	2.2
121.04001	0.5
121.07622	0.4
121.10102	0.8
123.04414	14.5
125.02337	13.8
125.05967	0.7
131.99556	0.7
134.95906	0.4
134.99663	1.8
137.05969	0.6
139.03879	1.1
140.04662	100.0
140.10689	1.0
141.04965	1.0
142.12267	0.3
149.02423	0.4
152.96899	1.6
153.05489	0.3
155.07011	12.2
157.97418	0.4
163.08688	0.4
166.02565	0.7
167.03401	1.5
171.06569	0.4
173.08101	1.2
173.36440	0.3
175.98485	2.5
176.02280	0.6
177.00580	0.5
181.04939	4.0
198.18506	57.8
199.05942	1.4
199.18858	14.5
200.12775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	12.4
58.03921	1.7
69.80033	5.4
74.09690	2.3
98.23359	1.9
98.43665	1.6
98.97565	100.0
99.97885	1.8
116.98605	71.2
119.01882	2.9
134.98703	2.5
134.99646	29.5
140.00131	2.7
153.00681	4.5
177.00752	6.2
199.18826	10.7
202.36891	1.7
219.01994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	5.8
58.31783	2.3
70.94626	4.0
84.08128	3.0
87.69044	2.5
90.10023	2.2
100.02470	9.8
101.00838	17.3
116.98594	6.6
118.03487	3.3
119.01899	100.0
119.02763	4.9
120.02010	7.4
134.99623	5.2
137.02943	42.3
138.03041	4.9
142.03459	30.1
160.04533	23.5
161.02927	14.5
161.04823	2.5
178.01048	4.3
178.05573	5.3
179.00725	3.8
179.03992	35.2
184.04564	3.5
197.99121	4.4
202.05539	3.4
220.02060	15.3
220.38394	2.5
221.01799	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	2.5
68.66930	1.0
69.62205	3.3
70.06570	1.2
73.02889	3.7
85.02901	1.9
90.26906	1.0
98.97566	1.8
101.00884	7.5
104.20070	1.0
119.01905	13.8
120.02056	1.0
131.01901	2.2
138.03423	1.6
141.41180	1.0
143.01868	11.2
155.01868	1.9
161.02940	22.8
173.02943	3.0
185.02827	1.7
203.05246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
56.96554	2.5
57.03430	2.2
57.07063	0.3
58.03745	0.3
58.06574	0.5
60.04510	0.5
60.05339	0.2
60.08157	12.4
61.02920	0.8
67.50658	0.2
69.03421	1.0
70.06585	0.4
70.70781	0.4
71.04961	0.6
71.06125	0.4
71.06907	0.2
73.02915	1.1
76.16627	0.2
81.03391	0.9
84.04486	2.5
84.08142	0.8
84.91323	0.2
85.02894	100.0
86.03233	0.9
87.04453	0.4
90.61578	0.2
95.00801	0.2
96.04472	0.9
97.02876	1.7
98.06052	0.4
98.97554	1.3
101.00890	0.2
102.00991	0.3
109.02865	0.4
114.05528	0.3
116.98606	0.9
119.00121	0.3
119.01905	1.4
120.02026	0.8
121.02853	0.4
121.95403	0.3
126.05515	2.0
127.03883	0.8
128.02264	0.3
128.98405	0.2
131.01874	0.6
134.99684	0.5
136.72272	0.3
137.02824	0.3
138.05484	2.0
140.00124	0.3
143.01843	0.6
144.01981	0.3
144.06479	0.7
144.10178	2.4
145.04941	7.1
146.99649	0.3
149.02295	3.1
155.01888	0.3
158.01212	0.4
158.12819	0.4
161.02921	1.0
162.03131	1.3
163.02628	0.5
173.02936	1.0
185.02887	0.6
199.01166	0.3
203.03989	0.3
204.01649	0.5
204.12238	16.9
205.05524	0.5
205.12392	0.3
221.04997	0.2
222.02736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1229
Annotation	Acetyl-L-carnitine
Peak:m/z	Relative Intensity
53.65865	0.1
55.01851	0.2
55.76079	0.2
56.96560	1.9
57.03424	1.9
57.07061	0.2
58.06594	0.9
60.08155	12.6
61.02915	0.3
69.03414	0.5
69.81145	0.6
71.04980	0.3
72.08169	0.1
73.02905	0.3
81.03397	0.3
82.44429	0.1
83.01304	0.2
84.04489	0.8
84.08134	0.6
85.02891	100.0
86.03220	0.7
95.61395	0.2
96.04479	0.3
97.02866	0.6
98.06029	0.2
98.22665	0.2
98.97562	1.3
99.04450	0.2
103.03951	0.2
108.04494	0.2
110.97535	0.2
115.40594	0.2
116.98595	0.7
119.00170	0.2
119.01849	0.3
120.01875	0.1
126.05504	0.6
127.03861	0.4
129.07843	0.3
134.99640	0.2
138.05482	0.4
141.03087	0.3
142.08508	0.2
144.06490	0.2
144.10178	2.7
145.04932	6.9
149.02312	1.8
157.03513	0.3
162.03021	0.2
163.02707	0.3
186.11162	0.2
204.01674	0.2
204.12263	16.7
205.12494	0.2
217.38193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1381
Annotation	(-)-Aphanorphine
Peak:m/z	Relative Intensity
53.03933	0.7
55.01623	0.6
55.01868	7.7
55.05506	2.9
56.05024	0.9
65.53799	0.5
65.64425	0.5
67.05163	0.5
67.05499	10.1
68.05009	3.1
69.03416	0.6
69.05775	0.7
69.07066	3.4
69.14805	0.9
69.15210	2.4
70.06592	3.1
77.03913	0.8
79.05482	20.1
80.04999	2.1
81.03416	0.7
81.07049	13.0
82.02885	0.6
82.06554	1.8
84.04485	0.7
84.08105	1.0
91.05477	9.1
93.07037	19.1
94.06557	13.2
95.04972	4.4
95.07373	0.6
95.08594	2.9
96.08114	3.5
98.06033	1.0
105.04498	1.5
105.07037	4.1
106.06546	3.3
107.04942	6.7
107.08588	6.1
108.08108	1.5
109.05259	0.6
109.06499	3.3
110.06039	2.1
110.09661	1.3
112.07599	6.2
117.07004	2.5
118.06514	2.9
119.07294	0.6
119.08566	3.9
120.04447	1.4
120.08090	13.2
122.06010	13.3
122.09617	1.3
124.07581	0.9
130.06509	0.7
131.07350	0.5
131.08536	0.8
132.08057	1.5
133.08830	1.4
133.10065	1.4
134.09601	2.4
135.08000	3.0
135.11674	2.4
136.07561	18.7
136.08595	1.1
136.11232	0.6
146.09653	3.1
147.10472	1.0
148.06442	1.1
148.07556	14.3
148.11220	2.1
149.02325	0.8
149.08342	4.8
150.09148	0.7
158.09589	0.9
160.07579	1.3
160.11182	1.3
161.08359	0.8
162.09114	1.0
170.09607	0.9
171.10353	0.7
172.03923	1.1
174.09106	0.9
174.12759	2.0
175.09834	1.2
176.10893	0.6
176.14320	9.3
186.12735	6.2
204.13814	100.0
205.14143	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	204.1593
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
53.03916	1.3
55.01853	1.8
55.05500	14.2
56.05027	1.4
56.96561	2.2
57.03434	5.4
57.07066	3.9
58.06588	7.8
60.04513	1.8
65.03929	2.0
67.05151	1.8
67.05493	22.2
67.69432	0.9
69.03414	3.1
69.07055	21.9
70.06581	45.1
71.04977	4.0
72.04500	1.8
73.82485	0.9
77.40614	0.9
79.05490	5.4
81.03405	2.0
81.07043	36.7
82.06549	2.7
82.07390	1.2
83.04977	2.6
83.08598	10.6
84.04503	3.1
84.08133	2.9
85.02885	2.6
85.06531	2.8
88.13547	0.8
88.86994	0.9
91.05466	9.3
93.07033	8.4
94.06594	1.0
95.04962	1.6
95.08582	5.6
97.02869	2.1
97.06525	1.7
98.06066	1.2
99.04421	2.0
100.07559	1.0
103.05470	2.2
105.03410	1.2
105.07010	10.2
107.02051	1.1
107.08596	10.7
109.06512	3.1
109.10138	30.9
110.06096	0.9
111.08103	1.2
112.07611	1.2
113.06009	2.4
115.05423	1.4
117.07021	1.5
121.02866	4.0
121.06541	1.6
121.10104	1.7
123.11687	33.6
124.11242	1.4
126.05547	1.9
126.09143	2.3
127.07561	1.4
131.04922	1.9
131.08539	2.3
133.10104	28.2
139.11182	1.3
140.14290	1.4
144.05600	1.6
145.06488	1.5
146.06090	1.2
147.06805	1.0
149.01234	0.7
149.02310	23.9
150.12715	5.6
151.11151	25.0
151.83098	1.3
159.08029	1.9
159.11693	1.2
162.05502	2.7
168.13811	96.6
169.12164	7.2
169.14183	1.9
175.06216	8.6
176.07109	1.7
176.10699	1.2
186.14865	100.0
187.07530	2.2
187.13335	2.1
187.15096	2.3
189.07854	5.5
189.11539	1.5
204.06561	2.2
204.08693	1.4
204.10193	30.4
204.13887	4.4
204.15886	26.8
204.17366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01889	3.0
57.03417	3.1
61.02915	13.3
69.03420	62.7
69.14391	13.2
71.04996	3.4
81.03409	23.2
83.01340	4.8
85.02895	100.0
87.99832	2.3
90.16909	2.3
97.02888	50.6
99.04449	14.2
108.67678	2.3
109.02871	82.9
109.03640	3.9
114.77064	2.5
115.05446	2.6
127.03899	46.6
139.03935	6.8
145.04919	15.4
145.10133	3.8
149.02339	8.8
192.56636	2.3
199.18669	2.6
205.12170	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	205.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
57.03430	3.6
57.07065	3.8
61.00039	1.6
61.02918	10.2
65.03909	1.5
67.05508	1.7
69.03057	3.1
69.03420	35.0
69.07060	1.8
69.28627	8.8
71.04995	2.8
72.92843	1.6
74.18649	1.3
79.05475	1.6
81.03399	15.8
81.07047	1.8
83.01302	2.4
85.02895	100.0
85.39364	1.5
91.05480	3.4
93.03387	1.5
93.07061	2.0
97.02882	40.7
99.04438	9.0
105.07014	7.1
107.04933	1.7
107.08556	4.3
109.02863	51.0
115.05443	3.8
117.07011	4.4
119.08591	2.9
121.02878	2.9
121.10108	2.7
127.03898	31.1
131.08563	2.1
135.11700	3.8
139.03880	1.6
144.90726	1.6
145.04936	12.3
145.06480	4.0
145.10107	15.8
148.07561	4.2
149.02322	24.3
149.07957	2.1
159.11696	5.0
163.03889	3.3
173.05910	2.3
187.06015	1.8
187.11179	1.7
204.13780	3.3
205.08612	3.2
205.12204	8.1
205.14130	4.7
205.15880	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	205.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.9
57.07071	1.2
61.02930	5.3
65.03935	1.0
69.03417	5.5
69.66443	3.4
71.04964	1.1
77.54840	1.0
81.03395	5.8
85.02893	100.0
91.05471	1.0
97.02881	34.3
98.06377	0.9
98.22701	1.4
99.04454	4.0
105.07034	1.0
106.94788	0.9
107.86431	1.0
109.02869	11.6
115.05452	2.8
117.07018	2.8
121.02954	1.2
127.03877	7.0
145.04939	3.1
145.06470	3.4
145.10072	2.1
149.02283	4.6
155.06003	1.1
159.11685	1.1
173.05968	2.3
205.15846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03914	0.2
56.96560	0.5
57.03427	0.2
57.07062	0.5
58.07397	0.2
59.82750	0.2
65.03936	0.3
66.43722	0.2
69.03385	0.2
70.17765	0.2
74.06057	0.2
76.68839	0.2
78.99280	0.2
81.03434	0.2
85.02872	0.3
91.05495	0.9
91.36694	0.2
95.04926	0.4
97.02856	0.3
98.97587	0.2
99.04436	0.2
104.04967	0.6
105.07020	0.4
109.10270	0.2
110.03258	0.2
116.80388	0.2
119.04916	0.6
120.04427	0.2
121.02830	0.2
122.03122	0.2
128.04227	0.2
132.04431	25.9
133.04770	0.5
134.99617	0.3
135.06815	0.2
137.67813	0.2
147.04419	0.5
149.02325	0.9
150.02626	1.4
151.03885	0.2
160.03911	0.8
160.05104	0.2
160.11270	0.2
164.06969	0.2
175.03824	0.3
177.07869	1.8
178.04964	100.0
179.05313	2.3
180.05356	0.2
185.18367	0.2
188.10632	0.2
191.14243	0.3
206.04456	51.8
206.11731	4.4
207.04778	1.2
207.12112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.065
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
55.01866	1.4
55.05506	1.7
57.03424	0.5
64.64226	0.6
65.03934	8.9
67.05490	2.7
69.03412	2.7
69.07076	1.0
69.73778	1.9
73.96453	0.6
75.53462	0.6
76.03146	1.3
77.03912	1.7
79.05483	3.9
80.06259	1.3
81.03402	0.6
81.07037	2.4
83.04957	1.0
85.02890	1.1
89.03903	6.0
90.04688	1.7
91.05468	100.0
92.05786	1.4
93.03374	1.3
93.07029	2.8
95.04952	3.3
95.08594	1.8
97.06516	1.1
101.03897	1.8
103.05467	2.7
104.02575	1.8
105.03394	1.0
105.07018	6.4
106.04230	0.8
107.04952	3.3
107.08606	2.9
108.05716	2.0
109.06493	2.0
109.10152	0.9
111.08057	0.6
117.03342	2.6
117.06998	0.9
118.04143	6.6
119.04927	89.7
119.08546	5.7
120.05259	1.0
121.02850	2.8
121.06465	0.9
121.10129	3.3
123.04420	1.4
123.08083	3.5
123.11657	1.0
129.03409	1.5
129.04474	1.1
129.06973	0.9
131.04901	0.9
131.08527	1.3
132.02051	7.3
133.02805	1.2
133.06471	1.8
133.10127	3.3
134.03647	1.0
135.04369	4.4
135.08044	0.8
136.05148	4.0
137.05963	1.3
137.09601	1.4
143.08540	1.5
145.02840	1.9
145.10074	1.7
146.03601	5.3
147.04388	70.8
147.07997	1.8
147.11661	6.5
148.04813	1.0
149.02313	9.7
149.09583	2.6
150.03084	0.7
151.07513	4.1
156.09341	1.5
157.03966	9.6
159.08031	0.8
160.01526	0.8
161.05965	3.0
161.09625	1.3
161.13223	3.1
162.03133	1.3
163.03860	1.7
163.11250	1.5
164.04672	7.3
165.09068	1.5
165.12747	1.2
171.11652	1.4
174.03078	5.5
174.10292	0.9
175.03880	78.5
176.04306	1.4
177.01761	1.2
177.05472	0.8
179.07005	9.1
186.91795	0.7
189.08978	1.5
189.12730	6.2
192.04147	12.3
207.06487	38.2
207.11935	1.2
207.13759	10.7
208.09624	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05496	10.5
57.07051	5.7
59.04977	2.2
65.03918	2.7
67.05489	25.3
68.81814	2.4
69.03413	9.0
69.07063	3.1
69.64291	8.1
69.64665	4.9
71.04968	4.9
79.05473	12.4
81.07047	26.2
85.02895	98.3
85.03410	5.6
85.06532	6.1
91.05467	33.0
93.07024	18.5
95.04931	8.8
95.08589	66.0
98.23404	3.1
105.06345	3.5
105.07008	38.9
107.04911	5.9
107.08578	26.9
109.06501	11.4
109.10136	21.1
117.06973	6.3
119.04936	19.3
119.08566	56.2
121.06487	7.0
121.10110	30.6
123.08061	36.7
123.11686	67.8
125.05971	13.0
128.06201	5.5
129.06999	3.0
130.07768	3.7
131.08528	13.5
133.06461	5.8
133.10094	8.8
135.08020	6.2
135.11691	5.3
137.09595	5.1
143.08524	9.2
145.10127	15.1
146.10892	4.1
147.04393	12.0
147.08041	16.7
147.11650	54.5
149.09595	68.4
151.07516	10.2
156.09349	15.6
159.07993	6.7
160.08841	2.8
161.05978	9.5
161.09550	7.1
161.13226	20.4
163.11195	12.2
165.12691	13.5
171.11642	10.3
174.10434	12.4
175.03937	11.7
179.14246	5.8
189.09131	2.9
189.12715	51.5
207.06377	5.2
207.13773	100.0
208.14055	3.4
216.23994	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05492	8.0
57.07061	3.2
59.04994	1.9
64.83341	1.7
65.03912	2.2
67.05485	6.2
69.03412	8.0
69.07050	2.9
69.38092	1.9
69.73179	6.0
69.73544	2.5
70.53068	2.0
71.04985	4.1
73.90775	1.6
74.66908	1.8
75.21984	1.6
75.37154	1.6
79.05482	11.5
81.07047	21.5
83.04956	5.9
85.02895	91.2
85.06530	5.8
91.05469	41.0
93.07059	10.2
95.04953	4.8
95.08602	10.5
103.05408	2.9
105.07021	47.7
107.04936	7.6
107.08572	18.3
109.06498	16.2
109.10148	15.1
115.05461	3.4
117.06995	8.3
119.04929	26.2
119.07739	2.9
119.08566	48.4
121.06499	3.8
121.10131	25.8
123.08058	11.4
123.11690	54.6
125.05939	9.3
125.09602	2.4
128.06224	7.1
129.06989	7.4
130.07777	5.8
131.08568	19.2
133.06474	4.0
133.10129	11.1
137.09648	2.5
141.06941	4.1
143.08527	8.3
145.10135	18.0
146.07240	3.3
146.10861	6.7
147.04388	17.1
147.08046	17.2
147.11664	59.7
149.09595	17.1
151.07527	9.7
156.09329	24.9
157.03967	2.0
159.08064	6.4
160.08803	4.2
161.05948	40.0
161.09567	11.4
161.13210	8.5
163.11174	12.6
165.12772	5.3
169.08733	2.2
171.11659	9.0
174.03084	3.0
174.10356	12.6
175.03900	20.2
189.09119	14.3
189.12720	53.3
192.04138	2.6
207.06520	16.3
207.13779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0804
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.01574	1.2
50.93705	1.0
51.11609	1.0
51.17896	1.1
53.03934	4.5
53.32349	1.2
55.01863	12.5
55.05505	7.9
57.03435	3.4
65.03934	16.1
65.04252	2.0
67.05493	12.5
69.03394	1.2
69.07053	3.7
69.29134	4.0
69.29546	2.0
70.69658	1.1
71.04987	2.9
75.04471	10.7
77.03938	4.3
78.04701	17.5
79.05484	17.8
81.03436	3.0
81.07045	10.5
82.04182	2.3
83.04979	4.1
83.08613	3.8
83.18427	1.1
85.02904	10.7
85.06512	1.3
89.03907	8.8
91.05471	55.4
93.03393	38.2
93.07034	29.5
95.04956	29.7
95.08603	14.2
95.18518	1.3
96.73178	1.2
97.06518	15.8
97.07094	1.3
99.04445	2.0
103.05461	15.6
105.03392	3.1
105.04495	7.7
105.07011	5.2
106.04159	88.2
107.04975	10.2
107.08584	10.2
108.05714	2.3
109.06501	7.3
109.10172	1.5
110.03647	1.6
111.04431	3.4
111.08058	1.8
115.05418	1.1
117.03366	4.3
117.07020	3.2
118.04185	1.6
119.04933	4.5
119.08607	2.4
120.05714	1.7
121.06490	91.4
121.10142	3.6
122.03637	2.0
122.07286	1.9
123.04414	5.3
123.08043	3.6
124.05228	2.0
125.05975	23.0
125.06890	1.8
126.01078	1.3
131.04897	4.1
133.02751	1.4
133.06404	1.2
133.10130	1.6
134.03621	15.5
135.04420	3.7
135.08026	1.6
135.11708	9.2
137.05949	12.8
138.06767	5.1
139.07530	5.5
145.02837	6.6
145.10101	5.7
147.04454	2.3
148.05156	9.3
149.05959	100.0
150.06326	1.8
151.07491	2.7
153.05473	6.6
153.09091	18.9
159.24400	1.1
163.07549	4.2
163.11125	6.5
163.22424	1.3
165.05511	2.8
166.06290	2.6
167.06999	1.6
168.70938	1.3
176.04669	1.4
177.05449	33.3
179.08458	1.4
181.08566	18.2
181.10095	1.9
185.66238	1.1
191.06917	5.9
191.14233	1.8
209.08040	16.4
209.09770	2.3
209.15378	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	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02370	1.4
51.47738	0.7
53.03937	3.1
55.01614	1.0
55.01868	13.7
55.05501	2.9
57.03449	1.2
64.26024	1.0
65.03936	15.4
67.05504	7.6
69.03403	1.2
69.07071	2.2
69.56661	3.3
71.04987	2.3
75.04466	12.2
76.72234	0.9
77.03916	5.0
78.04697	15.2
79.05489	10.0
81.03373	1.8
81.07061	4.4
82.04185	2.0
83.04965	2.8
85.02892	11.2
89.03920	6.5
89.06033	3.8
91.05467	47.3
93.03395	33.9
93.07031	19.0
95.04948	25.0
95.05519	1.8
95.08603	2.6
97.06516	10.6
103.05454	19.8
105.03381	2.9
105.04506	6.5
105.07008	3.4
106.04158	86.6
107.04967	6.0
107.08582	4.1
108.05737	1.5
109.06496	5.8
109.10167	1.5
110.07308	1.3
111.04424	2.5
111.08063	2.1
112.97988	0.9
117.03360	5.4
118.04135	2.0
119.04912	3.4
120.05722	1.7
121.06490	79.6
121.10146	3.1
122.03670	1.9
122.07303	1.9
123.04433	5.4
123.08041	3.6
124.05200	2.7
125.05975	25.5
125.09544	1.5
131.04918	5.6
131.05850	1.1
133.06540	1.8
134.03609	13.2
135.04414	3.6
135.08063	1.6
137.05971	11.8
138.06752	4.1
139.07530	6.5
145.02820	5.9
147.04422	2.1
148.05202	8.9
149.05957	100.0
149.13261	2.1
150.06323	2.7
151.03888	1.3
151.07545	3.6
151.11127	1.3
153.05472	7.8
153.06584	1.2
153.09102	17.1
159.04330	1.7
163.03937	1.6
163.07532	5.2
165.05441	1.4
166.06216	2.3
167.07013	1.2
167.14311	2.5
173.13258	1.1
176.04684	2.5
177.05450	36.4
180.07779	1.1
181.08572	19.7
181.10101	1.7
191.07024	6.0
191.14369	1.6
194.05743	1.2
209.08070	18.5
209.09976	1.0
209.13515	1.1
209.15312	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	2.1
53.50809	1.5
55.01866	3.9
55.05500	10.0
57.03424	2.7
65.03930	2.8
67.05494	6.7
69.03417	7.4
69.07062	8.6
70.49822	3.4
71.04992	2.7
75.04454	2.0
76.63828	1.6
77.03907	2.7
78.04712	2.6
79.05486	9.9
81.07049	25.5
83.04963	5.6
83.08609	5.0
85.06517	2.0
91.05466	24.1
93.03391	6.4
93.07052	11.0
95.04953	16.1
95.08617	8.6
97.06528	8.2
99.04424	1.8
103.05458	3.6
105.07032	12.4
106.04167	16.3
107.04930	5.3
107.08585	32.0
109.05766	2.3
109.06500	33.8
109.10139	14.8
111.08074	4.1
115.05476	3.9
117.07000	6.5
119.06073	2.8
119.08575	5.6
121.06490	16.4
121.10131	24.7
122.07286	7.9
123.08050	3.7
123.11713	4.0
124.36281	1.7
125.05969	4.6
125.09563	3.0
131.04956	2.8
131.08554	6.5
133.10112	100.0
134.03674	1.8
134.10437	1.8
135.08041	24.2
135.11671	4.1
137.09601	76.0
137.10654	3.8
145.10078	3.1
147.11725	3.5
148.05222	2.8
149.05965	20.7
149.09511	3.5
149.13226	21.3
151.11159	6.3
153.09090	10.5
158.10837	3.0
163.11073	2.4
163.14781	4.6
167.14386	2.8
173.13239	11.8
177.05457	7.5
181.08598	5.4
187.49474	1.9
191.14296	15.3
194.05690	1.8
209.08047	5.7
209.15309	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	209.1534
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03934	1.4
55.05505	28.0
57.03421	0.9
57.07061	1.1
59.04999	2.6
67.05501	3.7
69.03432	2.2
69.07056	8.5
69.16895	2.8
69.17306	3.0
71.04977	2.2
79.05478	7.2
81.07048	7.5
83.04974	33.1
83.08614	15.0
85.06519	2.1
91.05470	6.6
93.07036	32.6
95.04963	19.5
95.08585	6.2
97.06512	3.5
97.10170	3.8
99.04434	4.4
105.07009	5.6
107.08577	30.9
109.06505	10.8
109.10163	9.0
111.08088	4.1
111.18882	1.0
119.08569	2.3
121.10133	100.0
122.10484	1.6
123.11714	3.8
125.09645	4.8
131.08531	1.0
133.10133	5.4
135.08057	1.6
135.11632	4.5
149.13281	3.5
151.11171	13.5
153.09111	5.2
163.14789	18.6
167.14299	22.7
168.14601	1.0
173.13264	2.9
191.14279	8.0
209.15356	16.3
210.15813	1.1
212.31448	0.9
222.46815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03931	2.6
55.01866	1.7
55.05251	2.4
55.05505	37.1
57.07074	1.9
59.05004	3.3
67.05499	4.6
69.03435	2.8
69.04068	1.1
69.07058	9.9
69.40469	3.7
69.40872	2.3
71.04994	2.5
79.05499	7.4
81.07049	5.5
83.04971	51.0
83.08609	23.7
85.06544	2.3
91.05447	5.5
93.07037	33.8
93.07598	2.3
95.04961	42.9
95.08588	6.7
97.06530	2.8
97.10197	5.8
99.04444	9.1
105.07026	6.4
107.08584	32.0
109.06510	5.6
109.10148	10.4
111.08066	5.4
113.09628	1.8
119.08570	2.6
121.10132	100.0
122.10461	1.4
123.11697	6.7
125.09627	8.2
133.10086	5.6
135.08052	1.5
135.11681	4.0
149.13261	4.8
151.11171	18.9
153.09103	10.2
157.15169	1.2
163.14818	18.1
167.14296	35.9
173.13263	3.9
191.14325	7.8
209.15366	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	209.1534
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.39179	1.2
53.03932	2.1
55.01865	1.5
55.05503	73.4
57.03419	2.5
57.07068	2.7
59.04968	2.6
65.10587	1.1
67.05490	9.3
69.03417	7.5
69.07054	6.2
69.44892	5.1
71.04967	3.8
74.94909	1.1
79.05460	6.7
81.07043	17.4
83.04967	100.0
83.08604	34.2
85.06523	4.2
90.27066	1.1
91.05466	3.9
93.07029	12.3
95.04958	19.9
95.08595	8.9
97.06501	13.9
97.10136	7.6
99.04436	3.3
99.08086	2.3
105.07022	6.9
107.07912	1.9
107.08581	22.2
109.06499	42.4
109.10133	25.4
111.08079	8.8
113.05981	1.6
113.09637	1.3
119.08553	1.9
121.10117	17.9
123.08041	3.5
123.11697	12.9
125.09615	13.8
131.08530	3.5
133.10095	11.3
135.08020	3.5
135.11716	1.8
145.10139	1.3
149.09631	1.4
149.13252	9.7
151.10027	2.4
151.11159	31.2
153.09106	11.2
163.14780	1.7
167.14291	70.8
173.13248	4.2
191.14287	7.2
209.15338	31.2
211.28510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.03136	2.0
53.03938	3.7
55.05503	69.9
57.03429	5.9
57.07065	3.6
59.04987	3.9
62.03735	2.3
67.05499	23.5
69.03419	8.1
69.07050	23.3
69.56213	6.5
71.04995	13.1
72.16895	2.5
79.05479	12.3
81.07039	28.1
83.01313	3.0
83.04968	100.0
83.08604	35.1
85.06556	6.2
91.05444	13.2
93.07028	30.4
95.04953	94.5
95.08588	29.3
97.06505	18.6
97.10175	8.7
99.04440	17.7
99.08111	3.0
99.74347	2.1
105.07027	18.4
107.08572	55.8
107.09244	4.3
109.06506	32.3
109.10133	38.5
111.08060	14.1
119.08543	11.8
121.06482	3.5
121.10120	48.6
123.08060	9.4
123.11705	19.5
124.76183	2.5
125.05949	2.8
125.09614	19.4
127.07557	3.6
131.08559	13.2
133.10107	63.7
135.08025	11.5
135.11687	10.2
137.09579	23.3
137.13231	4.0
139.07533	4.6
139.11171	3.3
145.10107	11.2
147.11673	6.6
149.05951	5.3
149.09587	35.7
149.13246	31.1
151.11165	51.9
153.09087	30.2
158.10913	6.6
163.14798	14.3
165.12743	6.7
167.14288	60.6
168.14439	2.8
173.13219	41.0
191.14284	36.3
209.15335	75.1
218.83488	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03913	0.8
55.01845	1.3
55.05494	3.4
57.03431	4.2
57.07058	2.7
59.04987	1.9
65.30275	0.7
67.05486	4.8
69.03407	1.4
69.07050	3.6
69.20730	3.9
71.04990	2.1
79.05480	9.1
81.06556	1.0
81.07042	17.6
83.04973	2.5
83.08603	3.3
85.06519	2.6
86.57014	0.8
91.05451	6.7
93.03397	1.2
93.07037	10.2
95.04959	15.5
95.08595	6.2
97.06516	25.5
99.04410	1.9
105.07009	7.4
106.04151	2.3
107.08576	13.7
109.06502	100.0
109.10138	18.6
110.06830	1.4
111.08052	2.8
112.60324	0.8
113.05980	0.8
113.09644	1.7
117.06959	0.8
119.08572	2.2
121.06488	3.6
121.10125	17.6
123.08056	4.6
123.11737	1.8
125.06015	0.8
125.09571	1.7
131.08553	5.0
133.10106	20.9
135.08041	8.4
135.11652	1.2
139.78716	0.7
143.08498	1.0
145.10104	1.5
147.11610	1.1
149.05977	2.3
149.09624	1.7
149.13254	2.6
151.11206	1.8
153.09081	20.7
158.10901	2.0
163.14836	4.8
167.14279	1.0
172.92134	0.7
173.13237	7.6
191.14287	12.9
193.25958	0.7
209.15332	16.9
221.18129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0962
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03930	1.0
55.01858	4.4
55.05506	3.9
57.03425	1.8
57.07058	0.9
59.05002	1.0
64.87104	0.8
65.03921	2.2
67.05499	8.9
68.99778	1.4
69.03410	3.5
69.07050	3.0
71.04987	1.4
79.05481	13.6
81.03407	2.9
81.07044	6.8
83.04955	3.4
83.08610	2.3
85.02882	1.3
85.06551	1.3
90.04681	1.0
91.04932	1.2
91.05470	16.3
93.07012	5.2
94.04186	0.9
95.04952	12.8
95.08584	5.5
97.06498	2.1
97.10157	1.0
99.08088	1.6
103.05451	9.0
104.06246	0.9
105.03326	0.9
105.04508	0.9
105.07015	25.2
107.04948	6.0
107.08558	4.0
108.05730	1.8
109.02846	1.4
109.06526	4.1
109.10152	8.1
110.03647	2.6
110.10499	0.8
110.98999	1.2
111.04418	1.4
111.08039	1.0
113.05999	1.0
115.05433	1.7
118.04137	9.5
119.04929	10.3
119.08549	2.8
120.05692	2.0
121.02841	1.4
121.06499	4.1
121.10131	2.4
122.07262	2.8
123.04411	48.0
123.08038	7.3
123.11660	2.5
125.09596	3.0
126.01048	1.6
131.04906	2.3
133.06474	17.5
133.07475	0.9
133.10110	3.7
134.07343	1.6
135.04405	4.2
135.08026	3.4
135.11662	3.5
136.05173	0.9
137.05963	6.0
137.09578	2.7
146.03574	2.3
147.04419	4.9
147.11719	1.6
149.05965	5.4
150.06723	11.3
151.03911	3.5
151.07524	28.1
151.11189	2.8
153.06888	0.7
161.05956	3.9
161.07135	2.0
165.05457	0.9
165.09081	10.7
165.12759	0.8
166.12265	1.9
167.07030	12.5
175.11197	1.2
175.14738	1.8
178.06104	0.8
179.07004	100.0
180.07469	2.4
193.08568	28.4
193.10355	1.4
193.12221	1.3
193.15878	6.1
211.07442	3.5
211.09610	13.9
211.11581	0.8
211.13037	1.0
211.14925	1.4
211.91884	0.7
226.19339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02368	0.6
52.67567	0.4
53.03923	0.9
53.20940	0.4
55.01859	2.7
55.05488	1.7
56.16080	0.5
57.03428	1.1
61.45546	0.5
62.66884	0.5
65.03933	1.1
67.05500	4.3
68.99769	1.0
69.03404	1.6
69.07040	1.2
70.62217	0.8
71.04975	0.9
76.75363	0.5
77.03879	1.1
78.04685	1.0
79.05489	12.0
81.03416	1.1
81.07057	3.1
83.04955	0.9
83.08581	0.8
85.02882	0.8
90.04678	1.3
91.04935	0.9
91.05472	14.4
92.06271	1.1
93.03381	1.0
93.07052	4.0
94.04163	0.6
95.04958	8.7
95.08607	2.8
97.06534	1.3
99.08070	0.6
103.05456	7.9
104.06261	0.7
105.03374	1.0
105.04504	1.5
105.07020	24.8
106.04125	0.6
106.07349	0.5
107.04930	5.8
107.08574	1.6
108.05730	1.6
109.02832	1.4
109.06541	3.0
109.10116	2.2
110.03647	1.6
111.04417	1.6
113.09606	0.5
115.05450	1.4
117.07004	0.8
118.04151	8.9
119.04943	9.3
119.08572	1.1
120.05703	1.9
121.02865	1.3
121.06509	4.6
121.10143	0.9
122.03627	1.0
122.07266	2.1
123.04417	43.3
123.08035	6.1
123.11644	0.5
124.05256	2.3
125.05981	1.1
125.09634	0.8
126.01074	3.3
131.04945	1.3
132.05658	0.6
133.06477	23.6
133.10117	1.2
134.07246	0.8
135.04404	3.6
135.08052	3.7
135.11665	1.2
136.05164	1.1
137.05966	7.1
137.09607	0.9
139.07587	0.5
146.03600	1.8
147.04379	4.8
147.11676	0.7
148.05153	1.0
149.05956	5.8
150.06746	13.3
151.03925	3.4
151.07524	26.4
151.11157	0.7
152.07912	0.5
161.05942	3.2
161.07114	2.2
163.07474	0.5
164.04774	0.6
165.05460	0.8
165.09102	12.6
165.12762	0.6
166.06230	0.8
167.07022	13.3
169.08580	0.5
169.10083	0.7
175.07524	0.6
175.14764	0.7
178.06235	1.0
179.07011	100.0
180.07484	2.6
181.08569	1.8
183.06320	0.5
193.08580	33.6
193.12273	1.2
193.15851	0.8
211.07469	4.7
211.09637	16.0
211.16982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.45951	0.4
53.03936	0.6
55.01865	2.7
55.05491	1.5
57.03423	1.7
64.61949	0.4
65.03936	1.5
67.05501	3.8
68.99786	1.1
69.03408	1.1
69.07057	0.9
69.41313	0.8
69.41705	1.3
75.04468	0.6
77.03915	1.1
78.04706	0.6
79.05482	11.1
81.03407	2.4
81.07057	2.6
83.04966	1.1
83.08617	1.1
85.02901	0.6
90.04690	1.0
91.04939	1.0
91.05471	12.7
92.06234	1.4
93.07045	3.0
93.67519	0.4
94.04174	1.0
95.04954	8.6
95.08611	2.2
103.05447	8.1
104.06239	1.0
105.04462	1.1
105.07015	22.3
107.04945	5.0
107.08561	1.0
108.05725	1.4
109.02866	1.5
109.06470	2.4
109.10161	2.3
110.03680	2.2
111.04416	0.9
111.08067	0.5
115.05430	1.9
117.06992	0.6
118.04148	9.6
119.04937	8.3
119.08566	1.1
120.05684	2.1
121.02834	1.6
121.06514	4.7
122.03611	0.6
122.07287	2.9
123.04414	44.6
123.08042	6.1
124.05216	1.3
128.79074	0.5
131.04915	1.3
132.05682	0.8
133.06474	19.4
133.10092	0.8
134.07227	1.5
135.04404	4.0
135.08043	3.8
135.11572	0.5
136.05164	1.7
137.05956	5.4
137.09567	1.6
146.03616	1.8
147.04407	5.6
148.05106	1.1
149.05952	4.2
150.06740	11.4
151.03883	3.9
151.07526	28.8
152.07878	0.5
161.05945	1.8
161.07127	2.0
165.09099	11.8
167.07013	8.4
175.14801	0.7
178.06296	1.3
179.07005	100.0
180.07451	1.2
181.08531	0.6
193.08580	27.2
193.12247	0.9
194.08931	0.8
211.07623	1.1
211.09607	12.9
211.14932	0.7
211.16878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03931	6.5
55.01855	5.6
55.05255	3.7
55.05505	50.2
56.96548	4.8
57.03418	7.2
58.17798	1.8
67.05496	33.9
69.03409	7.8
69.07053	11.8
71.04973	6.6
79.05483	31.7
81.03405	100.0
81.07043	42.4
83.04970	47.3
83.08610	26.3
85.02918	2.3
85.06510	2.6
91.04932	2.9
91.05463	32.2
93.07022	20.7
95.04960	35.7
95.08586	15.5
97.02844	4.4
97.06501	5.5
97.10151	8.2
98.98451	2.1
105.07018	23.6
107.04961	5.4
107.08574	10.4
109.06501	9.4
109.10111	2.8
111.04423	3.4
111.08061	11.1
119.08562	20.9
121.10130	7.1
123.08035	2.5
129.07008	10.3
131.08539	10.4
133.06480	3.8
133.10115	12.8
137.09663	2.6
142.07651	2.5
147.08092	2.8
147.11684	15.0
149.09612	7.9
149.22057	2.0
155.08620	3.6
157.10094	16.3
161.40329	2.2
165.12755	3.1
169.10104	4.2
175.08530	2.0
175.11174	14.1
181.10127	4.7
193.12213	38.6
196.12416	3.2
211.11467	2.5
211.12965	9.8
211.14862	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	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	4.2
55.01862	6.5
55.05504	42.0
55.05776	2.1
57.03438	7.4
57.07072	1.2
59.04996	3.5
63.38675	1.0
65.03936	1.7
67.05495	34.2
69.03426	9.9
69.07055	9.6
69.22948	4.8
71.04977	7.1
76.26404	1.2
79.05483	34.1
81.03405	100.0
81.06564	2.2
81.07042	39.1
83.04968	48.8
83.08605	31.4
85.02898	2.2
85.06541	3.1
87.04440	1.2
91.05463	33.8
93.07024	19.3
95.04343	2.0
95.04950	34.7
95.08594	13.3
97.02884	2.7
97.06521	4.8
97.10163	8.1
99.04443	1.2
99.08081	2.1
103.05493	1.3
105.04498	1.3
105.07011	25.3
107.04980	5.6
107.08572	7.2
109.06509	5.7
109.10160	5.6
111.04407	1.5
111.08058	10.9
112.43822	1.1
113.01503	1.4
113.06045	1.9
115.05467	1.9
117.07040	2.0
119.08562	21.1
121.06489	2.3
121.10133	8.5
123.04411	2.7
123.08054	4.7
123.11655	2.0
125.01527	3.0
125.05943	1.2
125.09625	2.6
127.07572	1.5
129.06987	11.3
131.08531	11.4
133.06459	3.7
133.10112	8.9
137.09564	2.7
139.03052	2.3
141.01012	2.6
142.07747	2.3
145.10121	1.3
147.08031	3.6
147.11667	16.4
149.09570	7.5
151.11111	1.9
155.08562	2.6
157.10083	15.0
165.04633	3.9
165.07047	1.2
165.12781	3.1
167.07031	2.8
169.00464	1.8
169.10085	2.4
171.06891	1.1
175.11156	17.0
177.52975	1.2
179.07011	4.9
180.06612	1.8
193.08513	1.7
193.12202	33.1
196.12415	1.2
211.07541	3.6
211.11237	2.0
211.13277	13.8
211.14850	3.4
211.16545	1.1
222.33075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01863	2.2
55.05502	19.3
57.03424	6.9
57.07069	4.3
59.04996	1.4
65.39250	1.0
67.05493	31.6
69.03432	3.0
69.07056	16.5
71.04984	7.1
71.08601	2.4
73.71424	0.9
77.03948	1.2
79.05471	8.9
79.05854	1.0
81.07042	33.4
83.04974	9.1
83.08614	12.9
85.06528	7.0
91.05474	8.5
93.07030	20.2
95.04977	5.0
95.08592	58.5
97.06525	8.1
97.10155	4.5
99.08081	3.4
103.05430	1.4
105.07011	13.1
105.71055	0.9
107.04949	1.0
107.08573	32.0
109.06498	13.0
109.10138	100.0
109.43629	1.0
111.08061	42.1
113.06005	2.6
113.09638	1.8
115.07621	1.6
119.08556	39.3
121.10125	28.5
122.07287	2.1
123.04410	3.3
123.07142	2.6
123.08042	49.6
123.11697	14.8
125.09625	6.6
127.11192	3.0
133.06386	1.5
133.10106	38.0
135.08119	1.2
135.10634	2.0
135.11668	49.2
137.09590	96.0
137.13190	5.4
138.10402	9.3
139.11174	4.9
147.11606	7.3
147.30313	1.1
149.13214	14.4
151.07584	1.2
151.11147	5.6
151.14803	11.1
160.12425	1.0
163.11185	3.4
165.12743	10.1
165.16367	4.5
175.14793	51.6
176.15163	1.5
178.13503	1.7
179.07016	4.4
183.11543	1.3
193.15840	30.0
193.17508	1.7
211.16896	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.62248	1.2
55.05504	16.9
57.07061	3.7
59.04990	3.0
67.05494	29.3
69.03425	9.3
69.07059	20.4
69.60072	4.6
71.04989	3.7
71.08602	1.7
78.94768	1.3
79.05482	5.2
81.07047	30.0
83.04968	17.5
83.08604	9.7
85.06551	3.1
91.05456	4.3
93.07025	11.9
95.04954	3.0
95.08595	46.6
96.08928	1.5
97.06523	2.4
97.10159	3.9
98.22674	1.6
99.08081	8.2
104.31869	1.2
105.07001	10.0
107.08583	27.6
109.06506	13.2
109.10141	100.0
110.10474	1.8
111.08102	4.7
113.09634	1.5
119.08571	28.3
121.10126	15.6
123.08059	23.8
123.11696	14.9
124.80875	1.3
125.09579	2.2
133.10104	28.3
135.11679	54.5
137.09596	21.6
139.11163	3.7
147.11703	1.3
149.13208	8.1
151.11159	9.9
151.14810	13.7
153.12733	1.8
165.16382	3.3
175.14813	26.1
193.15845	17.0
211.07361	1.4
211.16962	3.8
230.86386	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.86229	1.2
53.03933	2.6
55.01868	1.9
55.05504	22.0
57.03429	7.3
57.07071	5.9
59.05001	1.4
63.78109	1.1
67.05494	29.1
67.05849	1.5
68.28711	1.0
69.03423	3.8
69.07059	19.8
71.04980	7.2
71.08614	1.8
79.05479	11.2
81.07046	34.6
83.04969	9.3
83.08604	10.0
85.06543	7.2
86.75899	1.2
91.05463	10.7
93.07032	19.1
95.04956	6.0
95.08592	56.3
97.06513	8.6
97.10164	4.2
99.08099	3.8
103.05466	2.2
105.07008	17.7
107.04973	1.2
107.08579	29.0
107.09240	1.8
108.05750	1.3
109.06512	14.5
109.10143	100.0
111.08067	45.9
111.08825	2.5
113.05980	2.2
113.09630	2.6
118.04131	2.0
119.04945	3.1
119.08562	43.4
121.10128	24.5
121.10973	1.7
122.07287	2.7
123.04426	11.8
123.08052	51.4
123.11690	16.0
125.09572	6.4
127.07480	1.1
127.11182	3.6
133.06488	3.5
133.10112	35.5
135.10623	1.7
135.11678	47.4
137.09596	99.6
137.13240	4.4
138.10399	9.1
139.11169	4.3
145.10127	1.9
147.04396	1.3
147.11620	7.1
149.13249	14.7
150.06697	2.2
151.07533	6.4
151.11157	5.6
151.14778	11.7
163.11093	2.9
165.09148	2.2
165.12714	11.7
165.16409	5.1
167.07112	1.9
175.14795	55.1
178.13564	1.6
179.07004	19.5
179.08446	1.9
193.08589	6.3
193.15858	32.0
193.17500	2.2
211.09554	3.1
211.16907	22.4
211.18869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
50.70750	0.8
53.03918	2.0
55.01608	1.4
55.01861	14.4
55.05503	72.7
57.03413	2.4
57.07050	2.1
59.04977	2.1
59.97169	0.8
67.05153	1.7
67.05489	25.8
69.03416	8.2
69.07057	13.3
71.04982	64.8
77.03911	1.1
78.04684	2.8
79.05038	1.9
79.05480	28.7
81.03398	1.2
81.07043	29.2
83.04964	5.4
83.08605	42.0
85.06530	8.1
87.04459	8.6
91.05465	11.1
93.06512	1.5
93.07034	17.1
94.32847	0.8
95.04967	4.4
95.08588	10.7
97.06516	90.8
97.10153	62.3
101.09657	1.3
103.05453	7.9
105.07021	9.7
106.04118	1.8
107.04936	57.9
107.08577	20.7
108.05254	1.1
109.06474	2.4
109.10139	14.7
111.08063	3.3
115.05421	3.8
117.06978	6.6
119.08579	2.6
120.05669	2.6
121.06473	2.3
121.10125	2.6
123.04411	5.3
123.11743	1.0
124.05190	2.6
125.05997	1.1
125.09613	37.4
127.07491	0.9
128.28239	0.9
131.04871	1.6
131.08522	3.4
133.10089	3.6
135.08028	19.5
135.11673	7.5
137.05969	1.6
139.07469	0.9
143.10670	1.8
145.07596	0.9
147.11620	1.2
149.09581	1.4
149.13222	5.1
151.03848	1.4
152.04630	1.9
153.09032	1.0
154.06190	1.7
157.10042	1.3
159.11659	3.8
163.07513	22.2
165.05487	1.4
167.07013	100.0
167.14232	1.4
168.07332	1.1
171.10033	1.0
171.11592	1.0
171.98436	1.0
177.12704	6.8
180.07736	3.4
185.09669	1.0
189.11218	7.0
195.10141	15.8
195.13770	41.8
195.15582	2.0
196.14119	1.1
203.43953	1.0
213.05487	1.1
213.14806	91.5
214.15031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01861	4.6
55.05508	15.0
57.07064	3.8
67.05492	6.1
67.45163	1.9
69.03423	2.0
69.07058	25.7
70.76088	2.6
71.04980	4.8
71.08614	1.8
79.05468	8.2
81.07047	23.2
83.08612	14.1
85.06540	6.5
91.05466	3.2
93.07038	21.1
95.08593	47.9
95.94544	1.5
97.06552	2.1
97.10163	11.2
99.08073	20.7
103.05405	1.9
105.07001	4.5
107.08576	47.4
109.10139	11.4
110.72166	1.5
111.08065	17.1
113.09644	3.1
121.10126	80.4
123.11692	3.7
125.09628	6.3
135.11682	14.6
137.13208	10.5
147.55318	1.9
149.13210	5.6
157.06479	2.1
177.16357	100.0
195.17409	12.7
213.18475	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78394	1.5
55.01858	4.6
55.05507	14.9
57.07064	2.8
59.08805	1.5
67.05487	5.7
69.03429	1.9
69.07059	18.2
70.76001	2.1
71.04974	5.1
79.05486	7.9
81.07054	21.6
83.08616	14.6
85.06527	6.0
91.05472	4.5
92.17223	1.5
93.07030	18.2
95.08600	53.3
97.10144	7.9
99.08080	20.3
104.93901	1.3
105.07000	4.2
107.04949	3.5
107.08583	46.1
109.10159	10.1
111.08074	14.8
113.09658	3.3
119.08556	1.5
121.10136	79.0
123.11675	2.9
125.09610	7.9
135.11673	14.3
137.13235	10.7
149.13255	3.6
154.36948	1.6
157.10201	3.1
163.07471	2.0
167.07005	8.2
177.16365	100.0
195.17380	11.5
212.78671	1.6
213.09074	3.8
213.16473	2.8
213.18478	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	214.0608
Annotation	Deazaflavin
Peak:m/z	Relative Intensity
51.80279	0.3
54.74001	0.3
57.86779	0.3
58.15227	0.3
65.03934	0.6
68.01379	5.8
68.99762	0.3
70.11802	0.9
78.95819	0.3
81.22334	0.3
92.04991	3.3
95.02442	1.4
98.23435	0.3
116.04961	1.4
119.06075	0.5
120.04451	63.8
121.04810	0.8
129.04475	0.5
130.03992	0.9
138.05534	0.3
140.27849	0.3
141.06970	0.4
144.04462	0.4
146.02328	0.4
146.07141	1.4
155.08513	0.3
186.06566	0.3
187.05005	100.0
188.05356	2.2
205.06076	0.9
212.02991	0.3
214.06082	84.9
215.06419	2.0
215.10721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1592
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
55.01866	0.6
55.05491	0.9
57.07063	1.1
57.44358	0.2
60.04509	0.2
61.02911	0.4
70.58231	0.2
72.04507	0.3
73.02903	0.8
82.50873	0.1
83.04971	1.4
83.08624	0.3
86.06076	1.4
86.09692	100.0
87.10030	0.8
89.06008	0.6
90.53786	0.2
101.05996	0.7
111.04424	1.8
116.10701	1.1
127.07528	0.2
127.31686	0.1
128.10696	45.8
129.05447	0.5
129.11018	0.6
142.12227	0.6
155.07002	2.0
170.11732	45.1
171.12064	0.7
173.08087	1.1
174.14870	6.6
216.15965	1.2
217.10669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24818	1.9
53.03936	5.8
55.01875	1.9
55.05261	1.7
55.05508	26.8
59.04978	1.8
67.05503	3.6
67.29474	1.5
69.03423	48.5
69.07075	2.6
70.71075	2.3
70.71407	1.6
73.02905	13.4
81.07059	2.1
83.04971	45.6
85.02895	30.0
85.06532	3.6
87.04459	4.8
89.02372	3.8
89.06030	8.7
91.05453	2.2
93.07038	2.2
95.08641	1.6
97.02883	100.0
98.03158	1.8
99.04424	3.9
101.06016	15.2
105.07043	1.5
107.08610	1.8
109.10165	1.9
111.04429	62.2
113.05978	7.9
115.03918	60.2
119.08565	2.5
127.07529	8.0
129.05455	10.3
155.07004	73.5
157.04948	24.8
159.11775	1.7
173.08067	43.2
199.09659	6.2
217.10670	36.7
217.12593	2.9
217.15903	3.6
217.19550	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94120	4.1
56.96555	10.7
65.60933	5.2
69.94421	11.9
74.31977	4.5
94.06562	7.9
95.62215	4.4
98.23381	6.2
98.97575	100.0
116.98611	40.0
128.98615	5.0
134.99614	13.6
146.88278	4.8
155.37833	4.8
158.99612	14.7
177.00645	28.1
194.73778	4.3
196.28848	4.0
219.02701	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.88850	0.8
67.05522	1.1
69.37374	0.7
69.37679	3.7
69.88966	0.7
79.88943	0.7
88.37054	0.7
89.20918	0.7
89.41473	0.6
91.05471	6.0
103.05465	1.5
105.07050	0.9
112.04436	0.7
115.05436	6.3
116.06239	1.9
117.06989	2.2
119.90394	0.8
128.06226	7.9
129.06987	35.1
130.07764	2.2
131.04910	5.4
131.08557	34.1
133.10172	0.9
137.05978	3.2
141.06976	28.4
143.04919	2.2
143.08542	1.6
144.05731	4.5
145.06476	4.8
146.07268	4.5
148.05151	1.6
155.06018	0.9
156.05690	0.7
157.06480	23.5
158.07254	17.5
159.04396	2.2
159.08041	27.5
159.09319	1.6
160.05217	4.8
161.05972	1.2
161.09598	2.4
163.07474	2.6
169.06445	14.2
169.07599	1.1
170.07242	6.7
171.08014	1.6
173.05989	3.1
173.09674	1.1
174.06746	74.6
175.07530	13.8
176.07997	0.8
185.05995	0.9
186.06757	16.8
187.07448	2.1
188.00403	0.9
188.08269	3.8
189.09085	96.0
190.09384	1.8
191.06917	1.1
191.10664	6.8
201.09079	42.1
202.09402	1.1
217.98785	0.7
219.10138	100.0
219.17300	1.8
220.10474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05505	1.0
57.03430	1.7
60.78714	0.7
66.05822	0.8
67.05460	0.8
89.53263	0.7
91.05468	12.4
93.07021	1.1
95.08540	0.9
103.05451	2.8
105.07011	2.8
115.05434	9.1
116.06255	4.4
117.07024	3.9
119.08521	1.5
128.06206	10.9
129.06990	41.6
130.07744	2.9
131.04893	9.0
131.08543	37.1
132.08827	0.7
133.10124	2.6
137.05939	3.9
140.06128	1.1
141.06966	36.1
143.04861	2.3
143.08517	3.4
144.05690	7.0
145.06468	9.5
145.10077	1.3
146.07249	5.4
147.07961	0.8
148.05170	1.5
155.04843	1.0
155.06021	1.4
156.05699	0.9
157.06464	24.9
158.07263	22.4
159.04381	3.8
159.08038	29.5
159.11691	1.2
160.05157	5.8
161.05922	1.4
161.09644	4.0
163.07533	1.9
168.05795	0.8
169.06456	15.6
169.07628	1.3
170.07239	7.1
171.04347	0.8
171.08073	1.6
173.05978	5.2
173.09610	1.1
174.06738	80.5
175.07516	12.1
185.05998	1.0
186.06735	20.4
187.07458	2.1
188.08258	4.6
189.09074	100.0
190.09506	1.9
191.07024	1.9
191.10617	8.1
194.95276	0.7
201.09073	38.6
202.09433	1.1
203.14275	1.1
219.10127	88.9
219.17374	3.2
220.10468	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.43439	1.0
55.05492	2.4
57.03424	1.0
67.05493	2.7
69.03394	1.3
69.07035	2.0
69.57567	1.9
69.57941	3.7
71.04967	2.7
79.05470	1.9
81.07037	5.5
83.04955	1.6
91.05467	14.2
93.07036	3.6
95.04964	1.6
95.08578	3.8
97.06474	1.5
103.05428	2.4
105.07011	9.3
107.04908	1.1
107.08566	3.4
107.13594	1.0
109.10131	2.8
115.05434	12.0
116.06216	4.8
117.07006	4.5
119.08559	5.4
121.10098	3.2
122.03677	0.9
123.08015	1.7
125.09612	2.0
128.06195	8.8
129.06985	41.0
130.07732	2.9
131.04918	7.9
131.08548	37.1
133.10094	10.8
135.11668	1.3
137.05949	3.6
141.06973	34.1
143.04903	3.3
143.08556	1.9
144.05667	6.2
145.06456	9.5
145.10100	4.1
146.07231	5.2
147.04385	1.3
147.11682	1.8
148.05127	1.5
155.06001	2.3
156.05640	1.3
157.06459	21.5
157.07652	1.9
158.07236	21.4
159.04378	4.0
159.08037	27.2
159.11653	5.0
160.05168	4.8
161.05968	2.2
161.09592	2.9
161.13232	2.5
163.07518	2.6
168.05579	1.3
169.06427	14.8
169.07626	1.6
170.07242	6.2
171.07986	1.2
173.06006	6.0
173.09572	1.4
173.13191	1.3
174.06735	64.3
175.07504	11.9
175.14890	1.4
185.05988	1.2
186.06746	16.1
187.07480	2.5
188.08328	3.9
189.09071	91.6
190.09367	2.2
191.07024	2.0
191.10666	7.6
201.09067	34.4
201.16364	4.4
202.09341	2.1
203.14186	2.1
219.10120	100.0
219.17375	17.7
220.10446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.99013	0.5
55.05485	0.6
57.03424	1.1
68.28378	0.7
69.39165	2.2
69.39561	1.7
77.03941	0.6
91.05463	9.9
98.22759	1.2
103.05442	2.8
105.07008	1.2
105.68568	0.7
113.24867	0.6
115.05429	9.1
116.06197	2.9
117.07015	3.5
119.04927	0.8
128.06203	11.6
129.06982	43.4
130.07750	2.2
131.04883	8.2
131.08542	37.1
133.10042	0.7
137.05954	3.6
140.06142	0.8
141.06970	36.4
142.07391	0.8
143.04906	2.7
143.08549	2.9
144.05678	6.7
145.06445	8.4
146.07265	6.1
147.85262	0.6
148.05159	1.2
155.06000	1.6
156.05669	0.9
157.05164	1.0
157.06462	22.6
158.07249	21.7
159.04353	3.3
159.08037	27.0
160.05135	5.3
160.08614	0.7
161.05919	1.4
161.09589	2.6
163.07526	2.4
168.05751	0.8
169.06442	13.0
169.07686	1.4
170.07220	6.1
171.08073	1.3
173.05931	4.1
173.09534	1.9
174.06737	73.9
175.07520	13.4
176.08197	0.7
183.07890	0.8
185.05855	1.1
186.06728	17.4
187.07440	3.1
188.08376	3.5
189.09076	100.0
190.09453	2.6
191.07016	1.1
191.10661	8.5
201.09073	41.2
219.10130	91.2
220.10394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
50.64160	0.4
53.03931	1.6
55.01857	1.4
55.05505	6.4
56.96544	0.8
57.03405	0.5
57.07056	1.1
59.04971	0.6
65.03911	0.9
67.05495	20.3
69.03411	1.3
69.07058	5.6
71.04961	1.1
71.19348	0.6
76.24546	0.4
77.03886	0.9
79.05481	26.4
81.03416	2.7
81.07044	22.3
83.04952	1.9
83.08596	2.9
85.06493	0.6
91.05466	26.5
93.07031	26.6
95.04948	5.7
95.08012	0.8
95.08589	11.2
96.27107	0.4
97.06507	1.7
97.10130	1.4
98.22850	0.5
99.08096	0.6
105.04498	1.4
105.07016	10.4
107.04940	6.9
107.08575	11.6
109.06509	2.0
109.10132	5.1
111.08047	0.7
113.09578	0.7
117.07005	10.5
119.08555	9.7
121.06483	4.4
121.10124	9.3
123.08038	1.7
123.11686	0.5
125.09634	0.5
131.08549	14.6
133.10110	4.3
135.08043	0.7
135.11670	4.9
137.09569	1.2
145.10097	7.6
147.11671	1.4
149.09581	0.6
153.12692	0.5
159.11684	3.6
161.13229	1.2
165.02156	0.4
172.94162	0.6
173.13213	1.7
175.14738	0.5
177.12695	0.6
188.04514	0.5
190.95227	0.6
201.16364	3.3
203.14265	1.4
219.17401	100.0
220.17740	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	12-Sesquisabinenal
Peak:m/z	Relative Intensity
53.03932	1.0
55.01860	1.3
55.05291	0.5
55.05505	6.3
56.96564	4.3
57.03420	0.6
57.07069	0.9
65.03918	1.1
67.05495	18.6
68.19759	0.5
69.03394	1.1
69.07062	3.8
69.16546	0.7
69.16949	3.1
70.48511	0.5
71.04967	1.3
79.05481	22.0
81.03401	2.4
81.07041	19.0
83.04970	1.3
83.08603	2.4
91.05467	26.3
93.07035	21.7
95.04961	4.1
95.08589	10.8
97.06503	1.6
97.10128	1.0
99.08065	0.7
101.95906	0.5
105.04491	1.2
105.07020	9.5
107.04948	5.6
107.08574	12.3
109.06508	2.0
109.10132	4.1
113.09626	0.8
117.07004	9.4
119.08571	7.8
121.06490	3.9
121.10133	8.9
123.08039	1.4
123.11665	0.8
131.08551	15.6
133.10103	4.9
135.08063	1.2
135.11659	4.3
137.09595	1.1
140.23312	0.5
143.09790	0.5
145.10094	6.7
147.11624	1.3
149.13243	0.9
153.12770	0.7
154.93202	1.1
155.58755	0.6
159.11665	2.9
161.13248	1.4
163.14856	0.6
172.94167	3.7
173.13280	1.0
175.14804	0.8
190.95259	6.5
195.95866	0.8
201.16304	3.2
203.14288	2.5
205.72734	0.5
213.96823	1.5
216.59848	0.5
219.17404	100.0
220.17757	1.7
223.62164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1177
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01871	1.3
55.05501	2.1
56.35461	0.8
57.07068	7.7
59.04999	4.5
60.04519	1.6
64.34765	0.7
67.05491	7.1
68.11195	0.6
69.07066	5.4
70.02943	8.3
72.04507	16.3
73.02908	3.4
74.02442	1.7
75.83601	0.7
79.05476	0.9
83.04968	1.0
85.06535	12.0
86.09704	1.7
87.08096	3.1
90.05544	100.0
95.04955	8.0
96.08122	2.2
98.02405	16.0
98.97547	0.8
100.03968	1.7
103.07561	8.7
110.22112	0.6
112.07623	1.3
113.05974	3.6
116.03438	14.2
124.07569	20.2
130.06509	3.2
130.08618	0.9
131.06989	1.3
131.08548	0.8
132.04442	4.6
142.08603	8.2
145.10089	1.2
146.05936	1.2
156.10147	1.7
157.07613	1.5
158.06001	7.2
160.09671	2.6
166.08539	2.1
174.05484	2.6
174.11203	2.8
175.08659	9.4
176.04724	0.8
177.12788	1.6
184.09677	20.3
192.02870	2.9
192.06331	0.9
202.10722	29.3
202.12589	1.6
203.06950	1.2
203.82066	0.7
204.14594	1.8
205.15862	9.3
209.70700	0.7
220.02278	2.1
220.04181	1.4
220.06064	1.4
220.09900	1.2
220.11728	29.9
220.17793	7.3
221.09174	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
66.10111	0.2
69.18923	0.8
69.19336	0.4
69.94127	0.2
91.05476	0.2
98.22662	0.2
105.07067	0.2
118.06532	10.8
119.07295	0.5
120.08113	0.2
130.06476	0.2
131.08556	0.3
132.08067	2.7
133.08890	1.2
133.09857	0.2
134.09642	0.9
134.10498	0.3
143.68867	0.2
144.08035	0.4
146.09628	3.2
147.10506	0.3
148.11044	0.2
160.11197	0.5
162.09125	6.4
165.06784	0.2
172.11208	0.2
175.07118	0.3
176.10742	4.6
176.14323	30.4
177.11505	1.6
177.14705	0.6
189.15100	0.3
190.09494	0.2
190.12224	3.2
202.15843	1.1
204.13745	0.3
205.15889	0.3
220.16936	100.0
221.17281	2.6
221.19319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0918
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
58.06583	0.5
69.28468	2.0
69.28883	0.8
71.46438	0.5
81.07030	0.6
82.02907	1.7
91.05426	0.7
94.06564	4.1
98.22619	0.5
98.97596	0.6
103.05471	0.6
104.04936	0.5
105.07018	0.6
119.08537	0.8
120.08125	0.5
130.06509	51.0
131.06851	1.0
132.04431	38.2
146.05928	0.8
147.04472	0.6
147.09227	0.7
148.07512	0.6
157.07596	23.1
158.05992	73.5
159.06288	1.5
175.08644	100.0
176.07048	1.5
176.08963	1.4
177.05472	0.9
177.09105	0.6
186.05507	1.9
197.01172	0.9
203.08231	0.9
204.06499	3.1
205.15892	2.3
206.16287	1.3
214.92297	0.6
221.09213	20.8
221.12798	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.09072	0.4
56.96560	3.4
57.07045	0.6
60.04511	0.6
69.66145	0.4
70.06586	4.5
77.03909	0.6
79.05488	0.4
81.07010	0.4
82.02934	2.5
92.30764	0.4
94.06553	4.2
98.97580	7.6
103.05412	0.7
104.04986	0.8
115.05453	0.8
116.98595	4.5
120.08064	0.8
127.15495	0.4
130.06511	67.4
131.04932	0.6
131.06827	0.9
132.04439	40.6
132.42862	0.4
133.04800	0.4
134.99652	1.2
138.81715	0.4
147.09169	0.4
148.07555	3.3
152.07050	1.1
154.63857	0.5
157.07597	31.3
158.05995	82.8
159.06303	1.2
175.08646	100.0
176.07060	1.9
176.08884	2.4
179.00664	0.5
179.02231	1.8
180.31290	0.5
185.07054	1.0
186.05426	2.6
191.26009	0.4
197.01314	0.9
197.03275	1.1
203.08134	10.9
204.06528	3.7
205.15822	0.8
206.16286	0.8
220.17857	0.7
221.03189	0.7
221.09183	19.7
221.12753	1.3
221.18138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01859	4.4
55.05501	15.6
57.07063	7.4
59.19684	2.4
67.05493	15.9
68.05007	3.1
69.03406	3.5
69.07059	24.5
69.22789	15.5
70.06574	10.6
71.04980	29.3
76.51820	2.2
79.05486	26.9
79.96198	2.7
81.07044	76.6
83.08604	6.5
85.06549	2.7
89.28186	2.7
91.05466	14.4
93.07037	47.7
95.04965	5.7
95.08586	39.2
96.04480	2.9
96.08108	10.9
97.06509	4.6
97.10158	5.1
98.09686	7.4
98.94901	2.4
99.08077	6.3
105.07018	37.9
106.06541	4.7
107.04935	4.3
107.08575	67.7
108.08800	2.9
109.06461	3.2
109.10133	27.9
111.08028	3.3
112.20588	2.4
117.06956	2.7
119.08556	51.0
121.00235	2.3
121.06501	4.2
121.10120	13.4
122.06030	8.0
123.08021	8.2
123.11686	17.7
124.07585	34.9
125.08366	3.3
125.09617	5.6
127.11153	5.0
133.06458	4.3
133.10106	24.3
135.11671	100.0
137.09578	7.1
137.13199	4.0
145.10097	5.2
147.11670	29.6
149.02383	3.5
149.13216	9.6
150.12729	3.8
151.11177	5.4
153.07840	4.8
161.05925	5.8
161.13216	14.4
163.13455	2.4
163.14816	5.9
165.09222	2.5
175.11090	2.7
175.14803	9.7
177.12605	2.9
177.16313	6.5
178.07782	3.9
194.15414	3.2
203.14311	4.7
203.17943	36.3
206.16072	4.4
221.06071	3.5
221.09660	6.4
221.13275	9.1
221.15416	4.8
221.18939	63.2
222.14867	19.7
222.19307	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	221.1897
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
50.24584	1.2
55.05505	10.8
57.07063	1.9
59.66774	1.2
64.77010	1.2
67.05487	8.0
69.07059	11.4
71.04984	25.5
75.47217	1.5
79.05486	17.3
81.07047	64.1
83.04958	1.8
83.08612	4.6
85.06567	1.6
91.05464	14.0
93.07030	36.8
95.04942	3.2
95.08593	26.5
97.06519	2.2
97.10155	1.8
99.08072	3.6
105.04414	1.4
105.07015	25.6
107.08581	65.0
109.06508	4.1
109.10133	22.8
111.08067	2.4
113.09570	1.5
114.07178	1.3
115.05431	1.5
117.06988	4.5
118.80905	1.3
119.08568	39.2
119.69330	1.5
121.10130	8.9
123.08080	2.6
123.11694	16.9
125.09605	1.7
127.11172	5.3
128.06232	2.1
133.10101	25.2
135.11678	100.0
137.09589	3.7
137.13200	2.7
139.11082	1.4
147.11673	20.6
149.13249	6.3
151.11130	3.7
159.11705	2.0
161.05914	2.5
161.13210	9.3
162.06740	4.6
162.82549	1.4
163.14792	4.5
165.06990	2.4
165.12672	1.4
175.07553	2.5
177.09087	56.2
177.14687	4.1
177.16307	1.4
178.07741	4.5
178.09328	1.9
203.17928	32.0
206.07294	3.0
221.06046	2.9
221.09575	12.7
221.17197	9.8
221.18993	42.3
222.65132	1.3
226.59285	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48378	1.3
55.01852	2.0
56.96555	17.4
57.03433	6.5
61.02906	3.9
63.62295	1.4
68.90497	1.3
69.03413	9.5
70.24729	2.8
71.04977	1.6
71.07348	2.3
73.02893	8.7
81.03391	3.2
85.01397	1.5
85.02885	13.8
86.09689	23.9
87.04432	2.3
89.46856	1.5
90.01541	2.8
94.06535	4.9
97.02310	2.2
97.02875	12.0
98.97568	20.7
99.04458	2.6
100.99120	9.4
103.02338	2.5
104.10738	11.1
105.02048	3.5
109.02870	1.7
110.01261	1.8
110.97570	7.1
111.02004	1.7
112.99097	2.0
116.98578	3.2
117.02068	1.4
119.00170	9.0
119.01773	4.9
124.99148	2.2
127.03884	2.3
128.02298	3.7
128.61383	1.6
128.98592	5.6
132.02559	5.4
134.99591	1.8
137.01184	2.1
140.02257	1.7
141.03072	56.5
141.53233	3.6
143.00192	2.4
146.02257	2.7
150.03604	19.9
150.53755	2.0
152.02304	2.3
152.53804	2.9
158.99620	4.4
161.01218	6.2
161.02736	1.7
162.94620	23.0
168.03636	2.0
170.03374	1.5
170.99677	2.1
173.02792	1.8
174.03796	1.7
177.00708	2.0
177.04111	6.4
177.84050	1.5
182.03305	3.3
189.00552	2.2
191.02223	2.1
191.03908	4.0
192.04770	1.4
199.44763	1.3
204.39328	1.4
213.05240	10.5
216.05180	1.5
219.01776	5.6
222.01944	100.0
222.05490	2.5
223.02261	1.7
226.43120	1.6
237.02814	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	222.1486
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
51.38858	0.6
52.15298	0.5
54.38547	0.7
55.05502	0.9
56.05046	0.7
58.93267	0.6
63.30888	0.5
67.05497	1.8
68.22368	0.6
69.07059	20.6
70.06579	0.9
71.04990	11.5
79.05437	0.7
80.04993	1.0
80.35664	0.6
81.07059	1.2
82.06569	2.1
84.04493	1.3
91.05492	1.1
93.07023	1.7
95.08583	3.3
96.04486	3.6
97.05228	0.8
98.06032	0.6
106.06530	3.8
107.08567	0.9
108.08106	1.7
110.06026	1.1
112.07583	0.9
118.06505	0.9
120.08099	1.8
124.07558	2.1
126.05474	1.0
132.08096	0.7
134.06042	0.9
134.09639	1.8
135.06784	16.8
136.07558	82.7
137.07901	1.6
138.09117	0.9
146.09653	0.9
147.10431	1.1
148.07539	6.7
148.11200	1.5
149.02319	2.1
149.08278	2.0
150.09167	0.8
152.07048	4.3
152.10681	2.6
153.07837	4.4
154.08606	8.4
156.40044	0.7
160.07587	4.7
162.09132	3.4
163.09920	1.4
166.07257	1.3
166.08618	20.8
174.09146	0.6
175.09930	4.8
176.10693	2.0
176.14316	4.8
178.09457	0.8
180.10213	1.2
187.22227	0.6
194.15372	2.0
204.13808	100.0
205.14078	2.1
209.98125	0.6
222.14861	80.1
223.15160	1.5
237.57968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1486
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
55.01865	42.0
55.05504	1.8
56.05028	0.9
57.03413	1.1
67.05496	14.1
68.05020	32.0
68.58974	0.8
69.05797	3.0
69.07058	3.0
70.06592	3.9
70.56783	1.2
71.04991	1.2
79.05476	12.4
80.05016	7.3
80.88229	0.7
81.03421	0.8
81.05829	0.8
81.07045	16.7
82.06566	5.5
86.06045	1.0
91.05462	2.2
92.04998	0.9
93.05773	1.9
93.07028	2.1
94.06547	9.6
95.04946	2.9
95.07345	13.0
95.08601	1.5
96.04479	2.1
96.08123	14.0
98.09706	1.3
99.08066	2.2
99.28394	0.7
104.04961	1.1
106.06542	28.8
107.07357	2.2
107.08569	1.7
108.08107	8.7
109.10123	5.7
110.06073	0.8
118.06535	7.5
119.07349	1.0
120.04440	2.1
120.08097	6.0
121.06531	0.9
121.08881	2.8
122.06012	100.0
123.06302	0.8
124.06651	1.3
124.07571	23.8
130.06522	1.9
132.08058	1.9
133.08853	1.9
134.05986	6.2
134.09616	5.1
135.06787	3.5
135.07971	1.6
136.07541	2.1
137.09583	0.8
146.09673	1.1
148.07520	1.3
150.12683	1.5
152.07048	16.7
152.10614	0.9
153.06573	1.0
153.07829	18.1
153.09084	0.6
174.12862	0.8
174.14429	0.8
176.14322	43.2
177.14854	0.9
186.12711	1.7
187.00732	0.9
194.15305	1.4
204.13800	17.7
214.13841	0.7
222.14854	78.3
223.15199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1486
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
52.98996	0.8
55.01855	2.6
55.05254	1.1
55.05502	14.6
56.05028	1.2
67.05501	18.1
68.05013	2.3
68.99781	1.8
69.03424	20.7
69.07062	23.1
70.02943	1.3
70.06583	31.2
71.04977	2.4
78.86497	0.9
79.05476	4.7
80.05006	1.0
81.03400	3.3
81.07040	2.9
82.06541	4.4
83.08614	7.4
84.08129	3.1
86.06059	84.1
91.05466	9.0
93.07014	3.4
94.06551	1.6
95.04960	5.0
95.08583	2.2
96.04459	1.1
96.08113	6.1
98.06046	19.0
98.09689	1.2
98.22687	2.1
106.06554	5.5
107.08556	1.1
109.06545	1.0
109.10143	4.1
110.06036	10.3
111.08090	1.0
112.07594	48.1
117.07050	1.3
119.08567	15.2
119.70774	1.0
122.06018	1.4
124.07580	44.4
126.09127	1.1
131.05043	0.9
136.07478	1.1
137.09583	11.3
138.05484	100.0
139.05843	1.5
140.07057	5.8
150.09138	1.6
152.10709	0.9
153.77831	0.9
162.09116	2.6
166.08580	2.3
194.15417	1.1
204.13795	3.2
222.14850	51.9
223.15227	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0598
Annotation	2-Succinylbenzoate
Peak:m/z	Relative Intensity
51.02375	0.9
53.03927	1.9
55.01867	22.8
55.05501	0.7
55.67237	0.5
57.03440	0.5
69.03423	0.9
69.07072	0.6
70.42056	0.7
77.03912	1.8
79.05484	7.9
80.58990	0.4
81.07047	0.6
93.07043	0.7
95.04955	9.0
101.02365	12.8
101.02990	1.0
105.03378	100.0
105.04517	3.3
105.06997	0.9
106.03780	1.0
116.88156	0.5
119.08608	0.5
121.10183	0.6
123.04415	6.7
133.06476	1.8
133.10153	0.5
135.08012	0.9
149.02310	2.1
161.05972	1.4
161.55766	0.5
163.11125	0.6
205.12360	0.5
210.03981	0.7
223.05917	6.6
223.09312	0.5
223.13332	1.3
225.04337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37380	0.5
53.03933	1.7
55.01867	31.3
67.05489	0.8
67.82127	0.4
69.03419	1.7
69.61856	1.8
70.06580	0.7
77.03912	2.2
79.05484	12.5
81.03402	2.0
81.07045	1.6
83.01339	1.4
83.04978	0.6
85.02887	1.0
91.05470	1.6
93.07046	2.0
94.80469	0.6
95.04956	8.8
97.02881	7.7
97.06505	0.5
98.22736	1.0
101.02369	16.5
103.05450	0.6
105.03378	100.0
105.04513	3.8
105.07011	1.1
106.03723	1.3
107.04948	0.5
107.08538	0.6
109.02859	1.1
114.12679	0.6
119.08627	0.6
121.02922	0.9
121.06490	1.6
121.10143	0.8
123.04411	10.5
123.08037	0.8
126.03072	0.9
127.03970	0.8
131.06871	0.8
135.04379	1.2
149.02364	2.0
149.05997	1.5
149.09564	0.8
159.04367	0.6
164.03450	0.8
177.05438	1.9
177.07463	0.7
178.05031	1.0
179.10559	0.7
193.04897	0.6
195.06543	0.8
205.06328	0.6
205.12117	0.9
206.04521	1.2
223.05957	11.0
223.11220	0.8
223.13258	2.2
224.05643	0.5
225.04247	1.1
227.02483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01867	3.3
57.03429	6.4
60.93713	0.8
61.02918	11.1
67.05476	1.7
69.03426	23.9
70.06595	1.5
71.01315	1.1
71.04996	3.0
73.02897	5.3
79.05479	2.3
81.03412	8.8
81.07040	1.4
83.01337	3.8
84.08074	1.0
85.02894	100.0
87.04469	3.8
91.03934	7.8
91.05473	4.3
93.07040	2.7
95.04957	4.5
95.08593	1.1
97.02882	32.0
98.97563	1.6
99.04436	4.0
103.05476	2.4
105.07023	1.6
107.04946	2.7
109.02850	11.2
111.04404	1.0
115.03935	1.1
120.08090	14.3
121.02875	1.2
121.06492	2.2
123.04349	1.3
125.02352	1.4
126.01053	16.7
126.03115	1.4
127.03899	19.9
127.04837	1.1
131.04913	2.3
135.04385	2.0
145.04930	14.3
149.02339	11.7
149.05934	2.3
151.03886	1.0
151.07567	1.4
159.04494	1.7
163.03831	2.4
163.06029	2.3
166.08638	3.5
177.05431	3.0
177.10207	1.5
193.05017	1.4
205.04865	2.4
223.06042	3.7
223.11139	1.1
224.06940	7.3
225.04265	10.8
227.02141	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	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01865	3.4
55.05490	2.3
56.96557	5.6
57.07055	2.4
65.03914	0.7
67.05495	3.5
68.24814	0.6
69.03408	2.3
69.07037	1.9
70.06570	1.7
71.04972	1.6
75.83218	0.6
79.05486	4.3
81.03361	1.0
81.07047	8.1
83.01314	1.9
83.04961	2.6
83.08588	1.1
84.04479	2.4
85.02895	3.0
85.06512	1.1
91.05460	5.9
92.44238	0.6
93.07038	8.0
94.06555	2.5
95.04975	3.2
95.08596	2.7
97.02843	2.1
97.06521	0.7
99.04418	1.5
101.02367	4.5
103.05428	1.1
105.03358	2.1
105.07020	6.6
107.04940	1.5
107.08568	7.0
109.06487	1.8
109.10136	3.7
111.04428	2.2
111.08053	1.8
117.06976	4.0
118.56855	0.6
119.08559	4.5
121.06467	4.5
121.10126	7.2
123.04397	3.0
123.08037	1.3
123.11684	4.7
125.05962	2.8
126.01064	2.4
127.03871	0.7
129.06964	1.8
131.04942	0.6
131.08556	3.3
133.06438	1.0
133.10110	2.2
135.04407	0.7
135.08020	3.8
135.11673	2.9
137.06004	0.8
137.09543	1.0
139.07533	9.5
144.09322	2.0
145.06470	0.7
145.10092	2.3
147.08026	2.0
149.02315	9.8
149.05940	3.1
149.09587	2.0
149.13304	1.0
157.10170	0.8
159.06493	0.6
159.11674	5.4
161.05951	0.9
161.09634	1.1
162.06734	0.9
163.03923	0.7
163.07509	3.3
163.11118	1.7
164.10651	1.2
165.09088	1.8
167.06987	1.7
167.08432	0.6
172.08838	1.3
175.07562	1.0
175.11101	1.0
177.05481	0.8
177.09050	1.3
177.12709	2.6
179.09172	1.2
179.10646	16.6
181.12160	0.8
187.11145	1.0
190.09892	1.5
205.10269	1.0
205.12195	18.0
206.12740	1.2
215.02301	0.7
223.02498	0.9
223.13249	100.0
224.13589	2.1
224.20076	0.7
225.04250	6.1
227.02194	2.2
241.00217	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03959	2.4
55.01868	3.9
56.96562	11.5
57.03426	7.0
58.02950	5.9
58.07331	2.0
60.04520	2.5
61.02909	2.8
62.06092	4.3
63.57790	2.9
69.03414	6.9
70.72340	5.2
71.01341	2.4
72.99209	2.2
73.02899	4.0
81.03417	3.6
84.04463	2.8
85.02892	30.5
87.04446	3.7
91.05462	3.8
93.97938	2.6
97.02872	4.8
100.57333	2.4
101.02379	9.5
115.03926	7.4
117.07022	3.0
127.03861	4.2
129.01817	16.9
136.07582	2.3
137.05952	7.2
143.03416	4.4
143.04892	2.8
146.04433	3.2
147.04469	3.4
157.01337	7.7
161.04414	12.8
161.05936	7.0
164.07036	100.0
178.08653	2.7
180.29834	2.8
189.03893	8.0
224.09203	20.9
226.04326	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	224.1279
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.05499	5.0
56.96542	1.9
58.06579	3.4
59.04981	2.2
67.05499	1.3
68.05012	1.3
69.07071	1.3
79.05463	6.6
83.04984	7.3
84.08095	1.2
85.02914	1.9
91.05486	11.5
93.07026	2.0
95.04955	2.7
103.05446	13.0
105.07014	32.5
107.04929	6.0
107.08591	1.9
109.06485	1.3
118.06516	13.7
119.04938	2.6
120.08097	21.0
123.08013	1.2
126.01048	8.6
128.06210	7.5
130.06502	3.5
131.04900	4.7
131.07277	2.0
131.08510	1.5
132.08089	1.5
143.08525	3.6
147.04466	1.3
149.02353	2.3
149.05988	1.4
150.05432	1.4
158.09500	1.3
160.11198	100.0
161.11438	1.3
163.02586	1.2
163.06142	1.2
164.07011	1.9
178.04984	5.8
178.08632	5.3
178.12251	79.7
179.12645	2.2
192.02892	1.9
206.04552	1.8
206.11729	14.6
209.07581	1.5
224.05334	2.2
224.07231	2.6
224.09215	2.6
224.12784	31.6
224.14835	2.1
224.20247	1.9
224.52168	1.1
226.04330	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	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.57055	0.5
55.01853	1.2
55.05512	1.4
63.02366	0.6
65.03932	4.0
67.05497	2.2
69.03411	1.8
69.07053	1.5
71.04977	1.2
76.03107	0.8
77.03905	1.0
79.05480	1.9
81.07053	2.0
83.04965	2.5
85.02890	2.5
89.03929	1.2
89.14342	0.6
91.05468	60.0
92.05792	1.0
93.07037	3.0
95.04925	3.9
95.08584	3.6
97.06493	1.5
98.09673	0.7
98.23493	1.3
99.04437	1.8
101.03876	1.4
103.05460	2.0
105.03378	0.8
105.07013	4.0
107.04944	2.4
107.08582	3.4
108.05743	1.3
109.06500	2.1
109.10137	1.4
117.03381	1.2
118.04148	6.8
118.39972	0.7
119.04927	63.2
119.08582	3.8
121.02828	1.9
121.06469	1.6
121.10110	1.7
122.03659	0.6
123.04397	2.1
123.08096	3.4
123.11678	1.3
125.05953	0.7
127.03912	1.0
129.03351	1.0
129.04485	0.7
131.05000	0.6
131.08531	0.8
132.02014	3.8
133.02821	1.4
133.10098	1.4
135.04398	2.8
135.08031	1.3
135.11682	0.7
136.05194	2.3
137.05934	1.6
137.09608	1.2
139.07520	0.6
143.08572	0.7
145.02783	1.4
145.10146	0.8
146.03589	2.1
147.04385	46.8
147.11703	3.0
149.02319	8.3
149.09583	1.1
151.03937	0.8
151.07501	1.0
151.11168	0.8
151.90451	0.6
153.05482	0.8
157.03981	7.1
159.11691	1.1
161.02356	0.7
161.09633	0.7
161.13234	2.2
162.03146	0.7
163.03883	2.5
163.11159	0.9
164.04652	6.8
165.05443	0.6
165.06830	0.6
165.12823	1.0
167.07047	1.1
173.74971	0.6
174.03134	1.6
175.03880	85.1
176.04205	1.5
177.01738	3.0
177.12726	0.7
179.07045	4.6
179.14259	1.2
180.04080	1.3
183.06483	1.4
189.12764	2.0
192.04150	28.8
193.05045	1.3
207.06493	100.0
207.13655	2.8
208.06796	2.1
225.07416	1.3
225.14706	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	225.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57055	0.5
55.01853	1.2
55.05512	1.4
63.02366	0.6
65.03932	4.0
67.05497	2.2
69.03411	1.8
69.07053	1.5
71.04977	1.2
76.03107	0.8
77.03905	1.0
79.05480	1.9
81.07053	2.0
83.04965	2.5
85.02890	2.5
89.03929	1.2
89.14342	0.6
91.05468	60.0
92.05792	1.0
93.07037	3.0
95.04925	3.9
95.08584	3.6
97.06493	1.5
98.09673	0.7
98.23493	1.3
99.04437	1.8
101.03876	1.4
103.05460	2.0
105.03378	0.8
105.07013	4.0
107.04944	2.4
107.08582	3.4
108.05743	1.3
109.06500	2.1
109.10137	1.4
117.03381	1.2
118.04148	6.8
118.39972	0.7
119.04927	63.2
119.08582	3.8
121.02828	1.9
121.06469	1.6
121.10110	1.7
122.03659	0.6
123.04397	2.1
123.08096	3.4
123.11678	1.3
125.05953	0.7
127.03912	1.0
129.03351	1.0
129.04485	0.7
131.05000	0.6
131.08531	0.8
132.02014	3.8
133.02821	1.4
133.10098	1.4
135.04398	2.8
135.08031	1.3
135.11682	0.7
136.05194	2.3
137.05934	1.6
137.09608	1.2
139.07520	0.6
143.08572	0.7
145.02783	1.4
145.10146	0.8
146.03589	2.1
147.04385	46.8
147.11703	3.0
149.02319	8.3
149.09583	1.1
151.03937	0.8
151.07501	1.0
151.11168	0.8
151.90451	0.6
153.05482	0.8
157.03981	7.1
159.11691	1.1
161.02356	0.7
161.09633	0.7
161.13234	2.2
162.03146	0.7
163.03883	2.5
163.11159	0.9
164.04652	6.8
165.05443	0.6
165.06830	0.6
165.12823	1.0
167.07047	1.1
173.74971	0.6
174.03134	1.6
175.03880	85.1
176.04205	1.5
177.01738	3.0
177.12726	0.7
179.07045	4.6
179.14259	1.2
180.04080	1.3
183.06483	1.4
189.12764	2.0
192.04150	28.8
193.05045	1.3
207.06493	100.0
207.13655	2.8
208.06796	2.1
225.07416	1.3
225.14706	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	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.01855	1.3
55.05497	1.0
60.71049	0.6
65.03931	5.5
69.21614	3.8
69.21998	1.1
76.03154	0.9
77.03881	0.9
78.04640	0.7
79.05479	1.1
80.06266	1.3
80.31225	0.7
81.07044	1.2
83.04974	1.4
85.02914	0.9
89.03912	2.6
90.04661	1.1
91.05463	71.1
91.21441	0.7
93.07027	1.1
95.04933	3.3
95.08576	0.8
95.31809	0.8
101.03873	1.1
103.05434	2.4
104.02576	1.4
105.03364	1.0
105.07010	0.8
107.04923	1.7
107.07787	0.6
107.08564	1.5
108.05700	1.2
109.06430	0.8
117.03365	2.0
118.04130	9.8
119.04922	77.1
119.08543	1.1
120.05243	0.9
121.02843	2.9
121.06472	0.7
123.04401	1.4
129.03357	1.6
129.04449	1.0
132.02051	5.2
133.02826	1.6
135.04393	2.9
136.05174	3.2
145.02795	1.3
146.03616	3.0
147.04382	55.5
148.04715	0.8
149.02319	11.6
153.05421	2.0
157.03935	7.9
162.03111	1.1
163.03879	2.1
164.04643	7.0
167.08472	0.7
174.03105	2.2
175.03876	94.2
176.04210	1.4
177.01762	4.6
179.06963	6.5
183.06477	1.5
187.26955	0.8
192.04137	34.0
193.04855	0.9
198.06830	0.6
207.06488	100.0
208.06758	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01855	3.3
55.05520	3.1
56.96555	10.8
57.03422	7.4
61.02914	9.9
67.05471	1.2
69.03419	20.7
70.06559	2.1
70.98103	1.3
71.04974	1.5
73.02909	6.3
79.05469	2.5
81.03400	7.2
81.07027	6.0
83.04972	5.6
84.08135	1.5
84.96026	6.9
85.02892	100.0
87.04456	2.9
90.15948	1.1
91.03946	5.2
91.05476	2.8
95.04951	2.2
97.02876	21.4
98.97556	17.4
99.04432	5.9
101.02299	1.3
102.96841	3.6
109.02876	9.5
110.97546	1.5
115.03876	2.6
116.98602	9.2
119.01828	2.3
119.04937	2.7
120.97905	2.0
127.03897	19.0
128.98573	2.5
134.99576	1.9
137.05925	1.3
142.01692	1.6
145.03751	1.9
145.04913	16.4
147.03110	1.5
158.99651	3.4
161.01164	1.5
163.05887	1.6
164.07056	1.5
165.07484	6.1
168.05437	3.2
170.99657	1.5
177.00749	2.3
182.99574	2.1
188.97044	2.3
189.00752	1.5
201.00679	3.9
202.03973	1.3
206.98039	2.0
219.01817	2.8
221.04622	1.5
225.06926	3.7
225.09435	2.3
226.10663	1.7
228.86127	1.3
237.02617	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98996	1.6
53.03922	2.4
55.05501	2.0
56.96552	6.9
57.03419	6.4
61.02915	9.6
65.04019	1.5
69.03104	2.0
69.03423	19.1
70.06564	2.2
70.89075	2.1
71.04975	4.2
73.02905	3.3
79.05477	2.0
81.03415	9.0
83.04958	3.8
84.96018	3.9
85.02892	100.0
87.04446	3.5
87.71017	1.4
91.03929	4.6
97.02861	17.8
98.97575	9.3
99.04425	3.4
101.02344	1.6
107.08580	1.7
109.02868	6.7
110.06013	2.8
115.03922	1.9
116.98583	5.2
119.01885	1.8
120.05540	1.4
120.97910	1.7
127.03896	19.2
128.98578	2.0
142.01772	1.8
145.04929	17.1
158.99637	2.0
163.06001	1.6
164.07033	2.8
165.07393	4.8
171.19363	1.7
175.03870	1.4
178.28992	1.4
180.06523	2.4
182.99635	2.1
201.00690	3.2
209.50893	1.6
211.74388	1.5
219.01781	2.5
225.09500	2.2
226.06947	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	225.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09664	0.3
53.03932	1.2
55.01871	2.4
56.96562	2.9
57.03431	6.9
59.04981	0.4
60.95829	0.4
61.02918	9.3
61.95090	0.4
69.03419	20.4
70.06573	0.6
71.01333	0.7
71.04983	2.8
71.43059	0.3
72.08172	0.4
73.02907	4.7
79.05486	0.5
81.03403	6.3
84.08125	2.6
84.96014	1.1
85.02893	100.0
86.03218	0.9
87.04454	2.4
91.03951	4.8
95.04942	0.5
97.02882	20.3
98.97583	2.0
99.04446	4.5
101.02348	1.1
103.03950	0.6
104.72009	0.3
106.84615	0.3
109.02864	8.7
114.09184	0.5
115.03902	1.7
116.98623	0.9
127.03893	19.7
128.98663	0.5
131.00168	0.6
131.20450	0.3
134.99644	0.7
137.05995	0.7
138.06293	0.6
145.04936	17.0
146.06657	0.4
152.07112	0.4
158.99661	0.7
161.05914	0.5
162.06345	0.8
163.06041	1.9
164.06998	2.4
165.07397	9.2
169.04428	0.4
173.01234	0.5
179.07022	0.4
179.08916	1.0
188.97086	0.5
190.05910	0.5
215.09064	0.4
225.07565	0.4
225.09511	2.2
225.12292	0.5
226.10675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03934	1.0
55.01864	1.2
55.05502	21.6
57.03419	0.8
57.07044	1.0
59.04982	0.7
62.30537	0.5
65.03920	0.9
67.05496	4.6
69.03413	2.2
69.07064	1.7
69.13938	3.1
71.04980	5.4
77.03941	0.6
77.94293	0.4
79.05491	2.5
81.03401	0.8
81.07043	4.1
81.93398	0.4
83.04967	32.1
83.08584	0.6
84.83009	0.5
85.02882	2.5
85.06541	1.0
87.04459	1.2
90.54931	0.5
91.05465	5.4
93.07021	4.1
95.04953	100.0
95.08569	3.3
96.05321	0.8
97.02877	0.7
97.06530	1.8
97.10126	0.6
98.23434	0.8
98.97569	0.6
99.04438	12.8
99.08080	0.5
103.05406	0.5
105.07030	2.7
107.04944	1.2
107.08573	6.0
109.02870	0.6
109.06505	3.5
109.10144	3.6
111.08063	2.0
112.26937	0.5
115.07542	0.6
119.04934	3.0
119.08568	2.8
121.10126	2.9
123.04409	0.9
123.08054	6.6
123.11677	1.2
125.06010	1.2
125.09590	3.3
127.11172	1.1
131.08553	1.0
133.10091	1.0
135.04315	0.6
135.08060	1.2
135.11658	0.6
137.01733	0.5
137.05957	1.3
137.09608	1.8
137.13211	0.9
139.11160	1.1
141.09058	0.9
143.10626	0.5
147.04361	3.5
147.11673	2.0
149.02287	0.6
149.09608	2.7
151.07550	1.5
151.11176	1.2
152.08150	0.5
153.09084	21.8
161.09544	0.7
161.13240	1.2
163.11128	2.2
165.03793	0.6
165.09074	0.7
165.12750	1.5
167.10629	1.2
169.43219	0.5
169.84312	0.5
171.11665	1.0
175.03911	4.9
180.04181	0.8
189.09193	0.6
189.12718	2.1
192.04114	0.7
193.04990	1.2
207.04684	0.9
207.06494	6.3
207.13712	2.6
213.06906	0.7
225.04233	1.1
225.07451	0.9
225.14816	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05500	2.1
56.50667	1.3
57.07060	2.2
67.05499	8.6
69.07066	1.6
69.84467	1.1
71.04990	3.3
71.44160	1.4
78.06113	1.1
78.20931	1.1
78.80608	1.1
79.05503	4.6
81.07045	18.0
85.02892	100.0
85.06532	1.7
86.91875	1.3
88.31838	1.1
91.05473	3.3
92.37661	1.2
93.07046	4.4
95.05011	1.1
95.08600	15.6
97.06557	1.2
99.04454	9.0
105.07024	5.2
107.08577	8.5
109.06516	5.9
109.10132	10.9
110.10599	1.1
113.06026	1.4
117.18246	1.2
119.04922	1.9
119.08582	4.9
121.06462	1.9
121.10119	7.8
123.08049	5.3
123.11694	71.5
125.05943	5.7
125.09617	2.1
127.29671	1.2
133.10089	1.5
135.11656	1.8
142.98653	1.2
145.10120	1.6
147.04410	1.5
147.08029	1.9
147.11673	4.8
149.09592	11.0
151.07494	2.9
160.90738	1.1
161.13251	2.8
163.11165	3.0
165.12790	2.5
167.10632	2.2
169.08620	2.0
172.30621	1.1
175.03876	2.9
183.13785	2.4
189.12749	5.1
207.06535	4.2
207.13771	15.6
225.14786	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05509	2.0
57.07062	2.7
67.05498	6.0
69.03423	1.0
69.07043	1.9
69.42675	3.3
71.04974	1.3
79.05492	3.5
81.07046	21.6
83.04985	1.3
85.02892	100.0
91.05465	3.2
93.07037	3.0
95.04963	1.1
95.08584	4.9
97.06475	1.1
99.04456	2.7
105.07020	4.4
107.08585	3.4
109.06497	3.1
109.10132	10.9
111.08071	0.8
119.04923	1.9
119.08578	3.3
121.06536	1.2
121.10118	6.8
121.17448	0.7
123.08102	1.5
123.11690	75.7
124.12056	0.9
125.05977	6.3
131.08542	1.2
133.10194	0.9
137.09645	0.8
139.07468	0.9
141.05399	0.8
145.10101	1.7
146.10890	0.7
147.04422	1.8
147.08003	1.7
147.11722	3.8
149.09592	9.3
151.07541	2.2
156.09406	0.9
161.13228	2.1
163.11005	0.9
165.12819	1.6
175.03926	2.6
189.12724	4.6
192.48029	0.7
207.06529	2.4
207.13789	14.0
225.14769	5.2
225.18350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0707
Annotation	4-Amino-4-deoxychorismate
Peak:m/z	Relative Intensity
56.96562	3.0
67.05475	2.2
68.99786	3.9
69.07047	1.5
70.06580	77.0
71.45023	1.5
79.05482	3.3
80.05006	5.7
81.07044	2.8
81.74765	1.4
82.06554	2.1
84.08121	3.0
91.05454	3.7
93.07027	1.4
94.06566	2.7
95.04937	1.7
96.04468	1.4
98.97555	1.8
100.11228	2.0
106.06510	2.9
107.04951	5.5
108.04419	1.8
108.08092	16.3
110.06025	19.3
111.00805	8.2
116.98618	2.2
120.05560	3.1
120.08115	1.6
121.06467	1.5
122.06023	7.7
134.06006	13.6
135.04396	3.9
136.07558	54.1
139.00233	13.2
140.07047	10.0
148.07516	2.1
151.07448	1.9
152.07042	69.5
153.07503	1.4
154.08604	9.1
157.01282	1.9
160.02812	2.0
162.05492	8.5
164.07039	4.9
167.07036	4.2
180.06523	99.7
181.06934	1.2
182.08081	40.8
208.06001	15.7
208.09654	3.4
226.07074	100.0
226.14377	3.6
227.07234	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	227.0911
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.66611	0.8
51.67725	0.8
53.03931	1.0
55.01864	5.8
55.05505	1.4
56.17526	0.9
62.71795	0.8
65.03933	9.3
67.05499	3.8
69.03432	0.9
69.07057	1.6
71.00422	1.2
73.02910	38.8
79.05494	1.6
81.07048	1.4
82.04195	3.4
83.04996	1.2
85.02884	4.1
89.88956	0.9
91.05486	3.8
93.03393	1.6
93.07043	2.7
95.04963	10.3
95.08604	1.7
97.06543	3.1
99.04407	1.4
103.05465	1.8
105.07028	0.8
107.04948	1.1
107.08593	1.5
108.02081	1.6
109.06509	1.7
110.03660	5.0
111.04426	1.4
112.00114	0.8
115.07472	1.2
121.06495	6.7
121.10148	1.6
123.04406	8.6
125.02342	3.3
125.05996	1.6
125.09637	1.2
133.10089	1.3
138.03098	2.3
140.04666	51.9
149.05986	3.0
153.05415	7.5
153.09120	1.6
155.07005	60.7
167.07056	2.6
171.06511	4.6
173.08098	4.0
177.05534	4.4
179.07034	2.8
181.04935	100.0
182.05264	1.5
209.08055	22.9
227.09103	14.7
227.16374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66611	0.8
51.67725	0.8
53.03931	1.0
55.01864	5.8
55.05505	1.4
56.17526	0.9
62.71795	0.8
65.03933	9.3
67.05499	3.8
69.03432	0.9
69.07057	1.6
71.00422	1.2
73.02910	38.8
79.05494	1.6
81.07048	1.4
82.04195	3.4
83.04996	1.2
85.02884	4.1
89.88956	0.9
91.05486	3.8
93.03393	1.6
93.07043	2.7
95.04963	10.3
95.08604	1.7
97.06543	3.1
99.04407	1.4
103.05465	1.8
105.07028	0.8
107.04948	1.1
107.08593	1.5
108.02081	1.6
109.06509	1.7
110.03660	5.0
111.04426	1.4
112.00114	0.8
115.07472	1.2
121.06495	6.7
121.10148	1.6
123.04406	8.6
125.02342	3.3
125.05996	1.6
125.09637	1.2
133.10089	1.3
138.03098	2.3
140.04666	51.9
149.05986	3.0
153.05415	7.5
153.09120	1.6
155.07005	60.7
167.07056	2.6
171.06511	4.6
173.08098	4.0
177.05534	4.4
179.07034	2.8
181.04935	100.0
182.05264	1.5
209.08055	22.9
227.09103	14.7
227.16374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03944	1.0
55.01866	0.7
55.05500	4.5
56.02645	1.8
57.03415	0.5
58.63290	0.4
61.14823	0.6
65.03940	0.8
67.05493	21.3
69.07066	3.3
71.04981	100.0
72.05315	0.8
79.05479	8.8
81.07043	28.7
83.04997	1.1
83.08613	2.1
85.06510	2.6
91.05448	4.6
93.07028	13.1
95.04963	2.1
95.08588	13.2
97.06523	3.4
97.10165	1.5
99.04430	0.8
99.08073	0.9
100.11248	1.5
105.07012	2.2
107.08572	5.2
109.06492	0.9
109.10141	1.9
111.08089	2.1
113.06003	0.6
117.06980	3.1
119.08559	1.3
121.06526	0.7
121.10141	1.7
123.08015	0.5
125.09579	1.2
131.08549	4.4
133.10112	4.4
135.08014	0.9
135.11668	7.5
135.58813	0.5
149.13235	5.6
159.11679	7.7
177.12737	2.5
186.00601	0.5
195.13802	0.6
208.79735	0.4
209.15346	1.7
227.10715	0.7
227.12735	2.3
227.15475	2.2
227.17769	1.0
228.23083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01855	2.7
55.05501	2.0
57.03428	3.2
57.07054	3.1
59.04997	3.0
65.03944	4.4
67.05499	5.7
69.03419	3.0
69.07064	9.3
69.49686	7.4
71.04984	18.9
73.02913	8.9
79.05470	3.9
81.07048	14.9
81.72334	1.5
83.04980	4.3
83.08630	2.0
85.02910	2.2
85.06532	6.4
86.11838	1.6
91.05467	4.9
93.07025	17.2
93.55915	1.4
95.04953	100.0
95.08585	11.7
97.06515	26.3
97.10158	1.9
98.23479	2.1
99.04443	17.2
99.08076	19.2
100.11260	2.8
105.06989	9.0
107.08578	13.8
109.06490	17.1
109.10140	7.3
109.82344	1.6
111.08055	5.8
113.09628	2.6
115.07554	33.0
119.08522	3.1
121.10146	14.1
123.04373	2.4
123.11674	4.0
125.09605	7.6
127.07545	7.7
131.08572	4.6
133.10109	32.6
135.08104	3.6
135.11690	5.2
137.09547	2.2
139.11163	8.5
140.04640	13.0
145.10127	2.1
147.11659	6.7
149.13260	5.7
151.11156	5.5
153.05446	2.6
153.09087	29.3
155.07001	17.5
158.10800	1.8
163.14818	5.0
167.06863	2.0
168.69385	1.9
171.10124	6.0
173.13248	12.3
181.04948	22.2
191.14220	9.7
209.08069	5.1
209.15266	11.4
227.09067	2.2
227.16342	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	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.51198	1.6
55.05500	15.3
57.03424	7.7
57.07067	8.9
59.05002	2.0
65.03920	1.7
67.05495	20.9
68.82571	1.8
69.03425	4.0
69.07058	23.4
69.20887	6.7
69.21297	4.0
71.01344	4.4
71.04986	14.0
76.01495	1.6
79.05468	11.9
81.07044	24.5
83.04970	3.7
83.08607	10.9
85.06535	5.3
90.69207	1.9
91.05460	8.8
93.07029	30.2
95.04951	13.0
95.08592	45.4
97.06508	10.6
97.10167	5.1
99.08062	4.3
101.05961	2.2
105.07008	19.9
107.08575	51.8
109.06510	10.7
109.10137	33.0
111.08057	5.8
113.09647	2.4
119.08563	12.5
121.06496	3.3
121.09250	3.3
121.10127	60.4
123.08049	12.9
123.11712	11.3
125.05975	2.1
125.09608	5.6
127.07553	3.3
127.11172	38.7
131.08516	8.7
133.10112	39.4
135.08008	16.5
135.11646	15.6
137.09587	22.4
137.13225	32.7
139.11160	6.2
139.89133	1.8
143.08571	2.7
145.10103	6.4
147.11635	10.3
149.09595	100.0
149.13243	28.6
150.09915	1.8
151.11151	14.9
153.09042	11.4
158.10905	5.2
163.11169	2.1
163.14786	29.8
165.12724	17.1
167.10693	4.1
167.14156	3.2
173.13237	38.7
173.14711	2.0
181.15797	2.7
191.14272	43.5
209.15297	27.1
219.49026	1.9
227.16353	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03926	1.0
53.06959	0.7
55.05499	7.0
57.03428	5.1
57.07071	3.9
59.04987	9.2
61.69057	0.8
65.03928	0.9
67.05504	7.0
69.03402	2.6
69.07048	8.4
69.24446	3.5
71.04981	31.2
73.06543	2.0
79.05469	7.2
81.07041	17.2
83.04977	5.5
83.08616	4.7
85.06521	9.1
91.05462	7.1
93.06435	1.6
93.07030	31.9
95.04951	100.0
95.08018	1.2
95.08587	15.1
95.53677	0.8
96.05284	1.4
96.54590	0.8
97.06518	17.6
97.10152	3.9
99.04442	10.4
99.08081	20.5
100.11224	1.4
101.06007	1.0
105.07014	10.1
107.08580	23.9
109.06504	17.9
109.10140	11.0
111.08054	11.6
111.32417	0.8
113.06000	2.2
113.09618	2.4
115.07540	7.2
117.07010	1.7
119.08568	8.4
121.06463	0.9
121.10124	26.8
123.08049	3.1
123.11686	8.2
125.09598	12.2
127.07538	8.3
131.08525	5.4
133.10103	35.2
135.08043	7.0
135.11664	7.2
137.09613	4.0
139.11150	12.7
143.10641	8.9
145.10110	1.9
147.11656	9.8
149.09593	1.6
149.13235	11.6
151.11134	5.7
153.09081	25.4
153.12602	0.8
158.10825	0.9
163.14792	4.8
165.12704	5.2
167.06990	2.6
167.14238	1.0
171.10143	30.2
173.13242	14.8
191.14270	11.6
209.15321	24.8
227.16359	77.9
228.16730	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05502	6.3
57.03425	3.5
57.07062	3.1
59.04981	6.1
64.40061	1.6
67.05492	5.8
69.03417	4.2
69.07055	7.7
70.79164	3.1
71.04987	23.3
71.23064	1.5
73.06537	3.2
77.37511	1.6
79.05479	6.6
81.06625	1.8
81.07049	16.6
83.08589	3.7
85.06532	7.4
91.05471	7.9
93.07043	20.6
93.07616	3.0
95.04955	100.0
95.08597	16.1
97.06520	22.5
97.10188	2.9
99.04443	12.2
99.08074	36.2
105.07012	10.7
107.08579	23.2
109.06497	21.1
109.10130	8.6
111.08049	6.5
113.09613	2.4
115.07549	8.6
117.06880	1.8
119.08558	6.3
121.10125	20.8
123.08096	2.3
123.11679	7.0
125.09629	7.3
127.07548	20.5
131.08556	5.4
133.09167	3.3
133.10110	43.7
134.10422	1.6
135.08035	5.9
135.11673	5.6
137.09546	3.4
139.11128	14.9
143.10559	2.8
145.10127	2.2
147.11652	7.5
149.13264	8.9
151.11150	3.3
152.19987	1.5
153.09082	32.3
158.10971	2.5
163.14809	6.8
171.10152	10.4
173.13210	16.6
182.67899	1.9
191.14316	13.4
209.15323	11.6
224.80031	1.8
227.16367	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	227.1639
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01859	1.5
55.05498	6.3
57.03416	4.2
57.07063	5.2
59.05006	7.1
67.05497	6.0
69.03417	3.7
69.07056	10.1
69.17062	4.1
69.17465	4.9
70.93102	1.8
71.04980	24.4
73.06546	1.7
79.05498	8.2
81.07048	14.1
83.04970	6.0
83.08599	5.9
85.06530	5.4
91.05460	7.9
93.07034	25.3
95.04958	100.0
95.08606	15.4
97.06522	19.4
97.10155	3.3
99.04437	12.1
99.08080	30.8
101.65978	1.3
102.32307	1.3
105.07012	10.8
107.08579	20.6
109.06509	16.7
109.10132	11.4
111.08058	5.3
111.11633	1.7
112.39429	1.4
113.06023	2.8
113.09647	1.8
115.07526	14.4
119.08554	7.3
121.10128	22.6
123.08071	2.3
123.11711	5.8
125.05951	1.9
125.09635	9.2
127.07536	12.3
131.08559	6.0
133.09158	2.9
133.10110	36.8
135.08028	5.9
135.11667	5.7
137.09584	3.4
139.11160	12.2
140.04614	1.6
143.10616	3.0
145.10158	1.7
147.11678	7.7
149.09544	1.8
149.13220	7.9
151.11145	5.4
153.07964	2.9
153.09093	27.8
155.07004	2.1
156.58354	1.5
158.10886	3.7
158.12030	1.7
163.14807	6.8
165.24660	1.6
167.14288	1.9
169.29848	1.7
171.10162	13.8
173.13260	12.9
181.04858	2.0
181.15793	1.8
191.14317	10.1
192.84535	1.7
198.85847	1.4
209.15306	13.5
224.20944	1.4
227.16385	48.6
227.38545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97712	0.4
51.02351	0.4
53.03692	0.6
53.03937	7.8
53.31565	0.3
53.78466	0.4
55.01848	1.1
57.03414	1.0
63.14403	0.3
67.05482	0.8
69.03405	1.6
70.90317	0.7
71.04979	7.6
81.03405	20.7
81.07017	0.6
83.01333	1.3
85.02891	1.5
97.02882	4.2
99.04443	24.8
103.03933	0.4
109.02862	18.3
109.10111	0.8
122.03662	0.5
127.03895	100.0
128.04225	1.2
134.46814	0.4
145.04932	4.1
169.04933	1.6
181.79214	0.4
228.17374	0.5
228.23212	0.4
229.07050	1.4
229.15852	0.5
229.17709	0.4
229.19588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.16886	0.6
51.20016	0.7
55.05497	11.3
56.64066	0.7
57.03432	18.9
57.07058	2.5
59.04993	6.6
65.03938	2.2
67.05496	100.0
68.05823	0.8
69.03408	0.8
69.07062	1.6
70.06596	0.8
71.04990	3.9
71.43864	0.7
79.05488	1.8
81.07043	14.3
81.07489	0.9
83.08608	7.0
85.06543	2.7
91.05476	5.8
93.07056	3.2
95.04955	0.9
95.08585	6.2
96.37721	0.7
99.08055	1.1
107.08600	1.5
109.06526	1.0
109.10141	78.4
110.10504	0.8
111.08079	3.5
117.07056	0.8
119.08563	7.6
125.09630	1.1
133.33063	0.7
137.09619	2.8
143.08466	0.9
155.10637	3.8
159.11760	1.5
171.11783	0.8
173.11726	20.8
173.13220	1.6
198.74934	0.9
211.14867	1.2
218.04968	1.0
228.23273	2.3
229.12239	0.9
229.14243	20.6
229.19499	1.1
229.23492	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
56.96560	6.3
57.03428	0.5
58.06336	0.2
58.06594	6.2
59.07382	1.3
60.08160	8.1
67.38288	0.3
68.05025	1.0
68.74231	0.3
70.06585	37.2
72.08162	0.8
83.94340	0.3
84.16490	0.3
86.09662	0.5
93.20325	0.3
96.08113	1.9
98.06036	0.7
98.97574	12.0
114.05518	4.2
114.09146	2.1
116.00186	0.3
116.07074	1.0
116.98605	6.4
116.99399	0.5
119.04154	0.3
124.07580	3.2
126.02212	0.4
126.09149	0.4
134.99637	2.4
139.09854	0.3
140.03906	0.3
142.08618	34.0
157.03593	0.3
158.04901	0.6
160.06447	1.4
170.04970	0.4
170.08121	1.3
178.07509	0.4
188.05923	0.6
188.87515	0.3
189.04341	1.2
206.07033	1.7
207.05382	0.7
208.20332	0.3
224.08107	2.0
229.15445	100.0
230.07008	0.8
230.15829	1.9
248.07967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01883	0.5
56.96565	0.4
57.03433	0.3
58.06301	0.3
58.06591	6.5
58.06861	0.5
59.07376	1.3
60.07861	0.5
60.08157	8.7
68.05015	1.4
69.02242	0.2
70.06583	40.3
72.08150	0.7
80.69088	0.2
85.02872	0.5
96.08129	1.6
98.06073	0.8
98.97571	0.5
101.00887	0.5
114.05520	4.4
114.09148	2.3
116.07082	0.9
119.01927	0.8
124.07575	3.5
125.43645	0.3
126.09141	1.0
127.03885	0.3
142.08618	34.9
143.08978	0.6
148.03893	0.6
170.08121	1.7
205.00021	0.3
205.01926	0.3
229.15443	100.0
230.15791	1.9
233.97821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98624	0.4
56.96559	39.8
58.06590	1.3
60.08155	1.2
69.46831	1.4
70.06583	5.9
71.06925	0.9
71.95250	1.0
72.08151	0.6
72.96039	1.1
74.97622	0.4
75.07138	0.3
81.24506	0.3
83.97620	0.8
84.96025	1.2
86.09702	4.2
87.61047	0.3
98.23357	0.7
98.97569	100.0
110.97564	0.5
114.05510	0.6
116.00202	1.4
116.98605	60.2
124.00676	0.4
126.02271	2.1
128.98581	0.8
134.01244	2.0
134.99638	20.4
140.00188	0.8
140.03801	3.0
140.98541	0.6
142.05388	3.2
142.08615	4.4
142.12276	0.3
143.08919	1.7
144.03278	0.7
146.99657	0.4
153.00676	2.0
153.02129	0.5
158.01254	0.4
158.04874	4.4
158.99648	0.4
160.06439	7.0
170.04823	2.0
171.03224	1.8
176.05910	1.1
178.07452	1.4
186.99109	0.9
188.05923	3.6
189.04314	9.8
202.07484	0.9
203.05832	0.5
205.00082	0.8
206.06973	7.8
207.05380	4.8
207.07277	0.4
212.05836	0.9
224.08012	8.8
229.15453	8.3
230.06966	10.9
230.15787	7.0
230.97920	0.5
231.05373	2.0
231.07315	0.5
242.08827	0.4
248.08032	19.3
248.99063	1.7
249.06357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1701
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.95313	0.2
53.03939	0.6
55.05505	11.6
56.05015	0.4
56.96559	0.5
57.03420	0.3
57.05806	0.9
69.03414	2.1
69.07069	0.3
69.63806	0.5
70.06563	0.2
71.04996	0.2
72.08146	100.0
73.06542	0.2
73.08485	0.5
79.72371	0.2
80.65491	0.2
81.03408	1.7
81.07059	0.2
84.08147	0.2
85.02891	1.4
85.78969	0.2
86.09694	5.2
87.00832	0.4
91.05499	0.4
97.02870	1.5
98.97584	0.2
99.04453	0.6
105.03398	0.4
109.02882	0.5
115.05472	0.2
119.08613	0.2
127.03920	0.7
129.10242	0.6
132.10179	3.9
134.99646	0.4
153.01855	0.3
161.02550	0.2
162.09134	0.4
185.16388	0.9
203.06970	0.2
231.11847	0.3
231.17014	2.2
250.80606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1541
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
50.10293	0.2
57.03436	1.8
58.06605	0.6
60.08156	8.4
62.00527	0.2
69.51275	0.7
70.06593	0.2
71.04988	1.6
84.08143	0.4
85.02895	100.0
86.03237	0.7
144.10184	1.9
173.08075	8.3
232.15404	20.3
233.15868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92057	0.4
55.05469	0.5
56.96554	59.4
57.03426	0.5
58.96208	0.4
61.36861	0.5
69.03425	0.5
69.71856	1.7
70.06588	0.7
71.95272	0.7
72.08134	2.3
78.46514	0.5
80.08942	0.4
84.08127	0.6
84.96019	2.3
85.02879	1.2
86.09697	2.7
97.02883	0.7
98.23385	0.8
98.97563	100.0
100.99130	13.4
102.96873	0.8
104.83958	0.6
110.97548	1.2
112.99104	2.0
113.06024	0.6
115.00663	0.7
116.98598	72.9
118.08376	0.5
119.00164	5.7
119.01898	1.2
120.97871	1.0
127.00641	5.0
128.98589	2.2
131.00163	2.2
133.01741	0.9
133.03470	0.5
134.99629	31.8
135.03229	0.6
137.01230	0.7
140.00185	1.0
140.98557	0.7
143.00130	5.2
143.01865	0.7
143.03705	0.6
144.98024	0.7
145.01694	24.0
146.08080	0.7
146.99603	3.9
147.03273	1.5
149.01184	1.7
153.00659	4.0
154.05161	0.5
158.01291	0.9
158.99666	1.4
161.01207	16.1
161.02745	0.8
161.04805	1.7
163.02753	26.2
165.00696	12.8
172.94336	2.3
172.97615	0.7
173.01170	1.2
173.04794	1.0
177.00694	0.5
179.02193	2.9
181.03787	3.4
183.01724	9.3
187.02731	1.1
189.00668	17.5
189.04297	0.7
190.95335	1.6
190.98656	1.7
191.02274	7.7
191.03979	0.9
191.05910	1.8
205.03815	0.9
207.01733	42.3
208.99690	3.0
209.03256	4.4
209.06920	1.2
214.95462	0.7
215.09445	0.6
225.02786	3.0
227.04390	1.5
230.03378	0.8
232.96410	3.6
233.03242	1.5
233.06960	1.8
233.10365	1.0
250.93048	2.5
250.97432	1.5
250.99835	0.9
251.04320	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1897
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
50.12216	0.8
50.83253	0.8
53.03931	1.4
55.01855	2.2
55.05500	11.9
57.03424	3.7
57.07072	7.4
65.03928	1.8
67.05494	35.1
67.63296	0.8
69.07061	10.1
69.32513	2.2
69.32926	2.7
71.04980	5.1
71.08598	1.2
72.31627	0.7
74.18456	0.7
77.03905	2.3
79.05479	59.7
80.05798	0.9
81.07043	39.0
83.04984	1.2
83.08598	4.7
85.06525	6.7
91.05464	30.4
93.07029	67.8
94.07372	1.0
95.04965	8.3
95.08585	25.0
97.06503	5.7
97.10144	2.6
97.62779	0.8
98.59161	0.9
99.08059	3.8
105.04540	1.2
105.07010	22.4
107.08573	41.6
109.06500	4.2
109.10141	10.6
111.08058	7.3
111.11740	0.8
113.09631	2.1
115.05483	0.9
117.06998	10.1
119.06038	0.9
119.08559	18.8
121.10123	39.3
123.08052	2.9
123.11691	7.7
125.09612	1.4
129.06987	1.1
130.07750	1.0
130.87589	0.7
131.07513	1.1
131.08539	26.9
133.10103	22.8
135.08014	3.4
135.11667	48.4
137.09575	3.2
137.13275	1.7
139.11157	1.5
145.10089	25.5
147.11649	16.0
149.09595	4.7
149.13232	20.2
151.11157	5.1
159.11664	20.0
161.13200	4.3
163.11134	2.4
163.14777	0.8
171.11772	0.8
173.13214	18.4
174.13925	0.8
175.14801	2.6
177.12759	1.4
187.14799	9.0
189.16321	4.1
205.19490	2.3
215.17906	66.0
216.18158	1.2
233.18959	100.0
234.19261	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	233.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
53.04158	1.2
55.01853	3.0
55.05503	10.2
57.03429	2.0
57.07071	6.6
67.05496	38.7
69.07060	10.7
69.36356	6.8
71.04985	4.6
79.05482	56.5
81.07047	41.3
83.04968	2.2
83.08607	6.2
85.06525	8.3
88.65870	1.3
89.05332	1.4
91.05468	38.5
91.06052	1.9
91.32400	1.3
93.07037	65.2
95.04967	8.6
95.08599	24.5
97.06511	7.3
97.10145	3.1
99.08073	4.4
105.03389	1.9
105.04501	1.9
105.07019	21.5
107.08576	39.6
109.06492	4.3
109.10152	11.9
111.08076	5.1
117.07009	9.6
119.06078	1.5
119.08562	20.1
121.06480	2.0
121.10130	42.0
122.06062	1.4
123.08049	3.2
123.11703	8.0
125.09595	2.1
129.06984	1.8
131.08557	26.0
133.10112	22.9
135.08051	4.1
135.11673	45.0
137.09576	2.8
137.13257	1.9
139.11111	1.9
145.10110	21.5
147.11671	15.9
149.09601	8.1
149.13239	24.1
151.11160	3.3
159.11664	19.4
160.62132	1.2
161.13216	4.3
162.09128	2.4
163.07513	1.3
163.11159	2.5
173.13257	16.8
175.14777	3.5
177.05482	3.4
177.12767	1.7
178.06241	2.9
187.14735	4.6
189.16357	4.8
191.14268	1.5
205.15759	1.4
205.19514	2.5
215.17926	63.1
233.09337	3.2
233.11612	3.9
233.15578	7.3
233.18967	100.0
234.19269	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1325
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.02370	0.8
53.03933	1.4
55.01864	3.7
55.05507	3.9
55.13623	0.8
57.07055	1.1
65.03922	1.0
67.05492	7.1
69.03421	3.7
69.07046	3.2
70.00349	0.7
71.01349	1.0
71.04968	3.1
71.44937	1.0
72.24789	0.7
74.90980	0.7
77.03915	2.3
79.05479	25.7
79.05944	1.4
81.03406	0.8
81.07043	39.4
83.04970	4.8
85.06551	1.8
87.68904	0.6
90.29768	0.6
91.05467	19.2
92.27811	0.7
93.07032	36.7
93.60786	0.7
95.04950	13.2
95.08595	8.8
97.06513	11.7
99.04434	4.6
101.06018	1.0
103.05453	1.5
105.04497	2.7
105.07014	24.0
107.04934	7.9
107.08575	12.6
109.06503	29.1
109.10165	1.4
111.04418	0.8
111.08026	1.3
115.05431	1.7
117.06976	4.4
119.04911	2.1
119.08553	14.4
121.06486	100.0
121.10124	2.3
122.06804	1.2
123.04435	3.0
123.08043	3.0
125.05964	2.5
127.07550	11.8
128.06187	4.3
129.06993	5.4
131.08527	4.8
133.06462	5.8
133.10104	4.4
135.04401	3.9
135.08047	6.9
135.11653	0.7
137.05959	5.9
137.09630	1.0
139.07527	4.4
141.06969	1.8
142.07732	5.4
143.08531	10.3
145.06432	1.6
145.10062	4.4
147.08029	5.3
147.10551	1.3
147.11664	14.2
149.05957	0.9
149.09610	2.5
155.08537	2.0
156.09334	4.4
157.06499	1.3
157.10103	14.4
159.08037	1.6
160.08720	1.5
161.05942	2.0
161.09647	2.8
161.13260	4.5
165.07027	2.9
165.12709	0.8
166.07727	4.3
169.06435	0.8
171.08014	1.0
171.11662	14.7
173.09557	1.4
173.13292	1.8
175.07491	1.6
175.11166	26.1
181.10077	4.6
184.08849	2.5
189.12718	22.3
193.12219	0.9
199.11142	24.0
199.12970	1.4
200.11641	0.8
207.13731	0.9
217.12215	41.6
218.12418	1.1
225.08052	0.8
235.13235	21.9
235.16719	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	Neotorreyol
Peak:m/z	Relative Intensity
51.80148	0.8
53.03931	1.6
55.01866	2.0
55.05499	3.6
57.07068	2.3
59.04990	2.6
65.03931	3.5
67.05499	11.2
68.76796	0.9
69.03428	4.6
69.07059	8.1
71.04992	7.1
76.34388	0.9
79.05484	15.5
81.03419	0.9
81.07041	18.9
83.04975	3.0
83.08594	2.1
85.06544	3.4
91.05460	10.1
93.07026	17.9
95.04953	100.0
95.08581	8.5
96.05238	1.2
97.06518	3.6
99.05384	1.0
99.08072	10.8
103.05468	1.9
105.04496	1.4
105.07012	18.7
107.08574	31.6
109.06506	7.2
109.10131	8.1
111.08074	1.6
115.05455	4.5
117.06993	4.5
119.08566	13.9
121.06493	4.5
121.10133	10.3
123.08064	3.7
125.09626	2.5
127.07516	5.3
127.11217	1.7
128.06206	1.4
129.06978	2.6
131.08554	8.0
133.10104	12.1
135.08072	3.5
135.11700	2.8
137.09583	4.6
143.08527	3.3
145.06467	3.4
145.10107	6.5
147.08022	3.0
147.11655	9.7
149.09596	18.6
153.09200	1.0
157.10098	3.0
159.11658	3.1
161.09634	3.9
161.13255	1.7
163.11218	3.4
165.09061	2.1
171.11609	1.2
173.05977	3.7
173.13223	1.9
173.35767	1.0
174.37331	1.0
175.07532	2.8
175.11169	3.2
175.14799	4.7
177.12753	1.7
189.16360	3.2
190.06310	1.5
191.14308	2.2
195.96365	1.2
199.14812	3.1
203.06927	1.5
205.08636	1.3
207.10156	1.7
214.08466	1.2
217.12354	1.7
217.15840	8.3
222.88858	1.2
235.07486	1.5
235.09561	2.4
235.13281	1.8
235.16884	23.3
235.20474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2054
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03929	1.6
55.01837	0.8
55.05507	14.4
57.03425	3.1
57.07069	19.3
59.77018	0.8
60.81916	0.9
65.03925	2.1
67.05498	84.0
69.07056	14.5
69.53217	3.8
71.04972	3.0
71.08630	6.4
75.76827	0.9
79.05485	25.2
81.07047	100.0
83.04968	2.6
83.08601	8.7
85.06529	12.4
85.10170	5.2
91.05468	23.7
93.07040	24.6
95.04939	3.3
95.08595	82.1
97.06514	9.1
97.10149	3.9
98.23360	2.1
99.08076	11.8
105.07018	14.9
107.04869	0.9
107.08583	14.2
109.06506	1.8
109.10148	23.5
111.08055	6.1
111.11702	1.7
113.09608	5.8
117.07012	1.1
119.08570	17.5
121.10125	17.4
123.08068	5.3
123.11680	18.7
125.09624	1.4
127.11152	2.3
127.18080	0.9
133.10109	23.1
135.11673	15.8
137.09593	4.2
137.12259	1.2
137.13235	19.6
139.11201	1.2
147.11656	13.9
149.13193	4.8
150.87820	0.9
151.11177	2.1
151.14838	8.0
153.12708	2.8
161.13234	12.6
163.14809	1.9
165.12727	1.9
175.14772	5.4
175.16145	1.0
179.10628	1.1
189.16377	1.6
191.17885	2.2
217.19490	40.6
218.19707	1.1
235.13071	1.5
235.16830	4.2
235.20526	76.5
236.20869	2.0
259.51993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0916
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
56.96563	1.7
57.07054	0.3
57.91891	0.3
58.06544	0.4
60.04482	0.5
69.03389	0.4
70.66254	0.3
72.08115	0.5
73.98203	0.3
79.05467	0.4
91.05429	0.6
94.06567	2.1
98.97577	2.5
106.05005	1.8
106.06493	1.0
116.04919	1.0
116.97866	0.3
116.98593	1.9
118.82254	0.3
120.08045	0.5
129.06982	0.4
134.06006	2.9
134.99583	0.7
135.04420	1.5
137.05911	1.1
144.08070	2.5
145.06453	0.3
147.04349	0.7
149.05904	0.3
155.04649	1.1
158.12521	0.3
158.99606	0.4
161.05908	0.6
162.05481	13.1
162.06836	0.7
162.09053	0.8
163.06229	1.5
164.05559	0.8
164.06908	0.4
172.07521	1.7
173.06003	0.3
175.06163	0.5
190.08598	11.6
200.07114	0.7
200.98163	0.3
201.07845	0.5
218.08096	100.0
219.08452	1.8
219.50029	0.3
227.97142	0.3
236.09152	81.8
236.17253	1.0
237.09485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
62.58674	0.3
67.05493	0.6
69.07056	3.9
80.05000	0.3
81.07014	0.7
82.06571	0.8
85.06533	3.9
87.08051	0.4
91.76534	0.4
93.07020	0.5
94.06550	0.3
95.08597	0.8
98.67317	0.3
105.06995	0.6
106.06539	1.2
108.08110	1.1
110.06002	0.4
118.06480	0.4
120.08082	1.3
124.07628	1.0
126.05485	0.9
132.08049	0.8
133.08846	0.3
134.05986	1.5
134.09650	1.2
135.06778	5.8
136.07556	44.6
137.07913	0.4
138.09091	0.4
146.06042	0.4
146.09579	0.5
147.10443	0.6
148.07547	8.1
148.11218	0.6
149.08344	1.8
150.09102	2.2
158.09659	1.1
160.07552	5.2
161.08301	0.8
162.09151	2.9
162.12650	0.4
163.09920	0.6
166.08633	1.7
167.09383	1.5
168.10127	0.5
174.09120	1.1
175.09895	5.9
176.10681	1.8
176.14297	2.5
180.10190	1.3
204.13806	100.0
205.14154	2.4
235.07661	0.4
236.08250	0.5
236.16414	27.9
237.16750	0.8
256.40369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01855	2.1
57.03428	6.1
61.02918	11.1
67.05511	0.9
69.03420	20.6
69.08397	5.0
70.89880	0.6
71.04978	2.8
73.02914	4.7
74.77278	0.6
75.57904	0.7
79.05467	1.4
79.14962	0.6
81.03399	8.3
82.03758	0.8
85.02892	100.0
87.04460	2.3
91.03938	8.1
91.05485	1.8
93.07036	1.0
93.19609	0.6
95.04971	0.9
96.02061	0.6
97.02881	20.8
98.23554	1.4
99.04456	3.4
101.02370	0.9
105.03368	2.0
105.07024	0.7
107.04951	4.6
107.08546	0.7
109.02867	7.1
115.03890	0.8
115.05438	1.6
119.08522	0.9
121.06554	0.8
121.10100	1.2
127.03897	18.3
131.04912	1.2
145.04935	18.6
163.06015	2.3
165.06949	1.0
166.07655	0.9
181.06505	1.1
191.08571	2.3
194.07286	2.1
209.09665	2.1
219.08009	2.2
237.09126	10.6
238.07108	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01855	3.1
57.03429	6.2
57.07059	2.3
59.18085	0.9
61.02921	11.5
69.03064	1.4
69.03422	20.7
69.39809	2.7
69.40207	1.6
71.04985	3.7
73.02902	4.7
80.74648	0.9
81.03415	7.9
83.01292	1.1
85.02895	100.0
86.03236	1.4
87.04456	3.7
88.46204	0.9
91.03960	5.1
97.02882	19.6
98.23458	1.8
99.04429	6.1
105.03372	1.4
109.02859	6.8
122.87981	0.9
127.03903	20.8
145.04936	20.9
162.11002	0.8
163.06004	2.6
219.07675	1.2
223.98636	0.9
228.94055	0.9
237.09106	1.0
237.14763	1.0
248.39978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1846
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01871	10.8
55.05508	33.2
57.07060	6.3
59.04984	5.6
61.33984	3.7
61.97739	4.1
62.74054	3.5
67.05493	30.0
69.03423	25.4
69.07059	26.7
71.04987	47.2
71.44357	3.5
79.05486	30.0
81.07047	100.0
83.04964	30.7
83.08601	7.9
85.06544	8.2
90.25194	3.8
91.05472	16.2
93.07030	51.8
95.04966	28.7
95.08603	38.2
97.06515	19.0
97.32629	4.2
99.08086	24.7
99.22765	4.3
105.03388	6.1
105.07023	59.8
107.08587	53.0
109.06518	17.9
109.10149	43.8
111.08070	14.2
117.06995	8.4
119.08579	26.3
121.06519	6.3
121.10126	36.0
123.08064	12.0
123.11672	28.0
125.09656	7.9
127.07576	15.7
127.11185	36.1
131.04962	5.0
131.08569	16.6
133.10110	77.1
135.08096	8.0
135.11650	20.5
139.11179	12.8
143.10657	6.4
145.10133	28.7
147.11685	20.5
149.09608	7.0
149.13257	13.8
151.11165	87.2
155.10664	11.5
159.11655	23.6
161.13307	6.7
163.11157	6.1
165.12747	7.5
169.12309	4.5
173.13231	9.5
177.12761	8.3
194.07256	7.8
201.16364	16.6
219.10201	8.1
219.17473	26.7
231.09819	4.3
237.08989	13.4
237.12691	9.4
237.14722	9.4
237.18428	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	237.1846
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03935	2.7
54.41343	2.0
55.05503	65.5
57.03415	2.7
57.07065	5.2
59.04980	5.6
60.95433	2.2
67.05499	15.1
69.03415	6.1
69.07058	12.4
69.40070	5.0
69.40460	4.4
71.04983	28.7
74.27691	2.2
74.78416	2.0
79.05478	10.0
81.07043	43.5
83.04968	100.0
83.08593	4.1
85.06535	6.9
91.05460	14.1
93.07027	29.0
95.04952	15.1
95.08593	20.9
97.02887	5.0
97.06527	18.5
99.08064	8.9
105.07014	31.4
107.08576	30.5
109.06494	10.1
109.10136	34.9
111.08068	12.8
113.09716	2.1
117.06996	6.0
119.08573	10.5
121.06456	3.9
121.10126	41.7
123.08041	5.2
123.11674	23.4
125.09612	5.3
125.81772	2.1
127.07530	3.9
127.11150	9.6
129.12321	2.4
131.08548	11.4
133.10106	70.9
135.08032	2.6
135.11652	15.0
137.09595	8.2
139.11139	31.9
145.10086	14.3
147.11665	18.3
149.09595	5.9
149.13237	13.5
151.11150	54.8
153.12714	11.7
154.85562	2.3
159.11659	26.3
161.13182	3.7
163.11147	5.4
175.14851	3.3
177.12715	5.3
191.17915	3.5
194.07242	3.2
201.16333	12.5
219.17432	25.7
222.06613	3.3
237.09004	6.4
237.14613	3.7
237.16238	1.9
237.18416	43.8
259.98511	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	238.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28064	0.4
52.88558	0.4
56.96549	0.5
65.03936	1.2
67.05470	0.7
69.07051	0.8
69.94449	1.7
70.40916	0.5
78.03443	2.8
93.02178	0.6
95.03674	0.7
95.04958	0.7
98.22650	0.5
99.85707	0.5
103.05454	0.5
106.02901	14.1
108.04420	0.6
111.04427	1.8
116.98561	0.6
118.06390	0.5
119.53198	0.4
121.01575	2.0
121.06456	0.6
122.05985	0.4
123.03160	0.8
131.04938	1.2
134.02353	35.3
136.03918	26.3
136.04985	0.8
136.07570	0.6
137.07962	0.5
138.05482	6.2
146.05995	0.9
147.06345	1.5
149.01065	0.9
149.05945	0.6
150.05476	3.9
151.02609	5.5
151.04979	1.9
152.03459	0.6
163.95869	0.6
164.04256	0.6
166.05002	1.2
176.03348	1.2
177.00511	2.6
177.05437	2.2
179.02118	5.2
192.02881	100.0
193.03239	1.9
194.04460	27.8
195.04710	0.6
203.03288	1.0
221.04408	1.0
238.03413	13.1
238.07022	0.9
238.10611	0.6
238.14468	0.9
239.08862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68066	0.6
54.03450	0.6
55.01865	12.1
62.80834	0.5
62.82582	0.5
65.03921	1.5
73.02908	6.4
79.05470	1.8
82.02921	1.7
82.06574	1.0
85.02905	1.4
86.03232	0.9
89.06014	1.2
91.05481	1.2
92.04987	1.5
95.03703	1.9
95.04938	1.1
97.02852	0.7
105.03406	0.7
106.06535	5.7
107.04918	1.1
107.08550	0.6
108.02067	2.4
108.04456	1.2
110.02392	2.5
110.06017	4.1
111.04421	1.9
119.04937	0.7
120.04468	2.7
121.01539	0.5
121.02809	0.7
122.02380	1.3
122.06024	1.0
123.03149	6.0
123.04044	0.7
123.04347	0.6
132.04401	2.5
134.05959	1.6
135.03119	0.9
135.04375	1.4
136.03893	1.3
137.05963	1.7
138.05446	0.9
144.04466	0.6
146.02390	0.6
146.05966	1.3
148.03911	3.4
149.04724	3.5
150.05461	1.1
151.02618	6.0
160.03915	1.8
161.04715	0.8
162.05511	3.7
163.02635	16.3
163.03883	2.4
164.03395	1.6
164.62604	0.6
166.04976	97.1
167.05333	1.6
169.03691	22.4
175.02609	0.9
177.00560	1.1
177.04184	14.2
178.04965	49.7
179.05406	0.7
181.03787	0.9
190.04973	7.1
192.02876	8.2
192.06512	17.2
193.03670	4.0
193.08601	1.9
195.01569	3.0
195.05199	0.7
205.03668	8.9
206.04311	0.8
208.05974	1.5
219.46376	0.7
220.06023	47.0
221.06273	0.8
223.04652	1.4
224.01933	0.9
228.85442	0.6
238.07060	100.0
239.07024	2.8
247.38512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92978	0.5
52.03167	0.4
53.12271	0.4
55.01611	0.8
55.01862	11.1
61.31289	0.4
67.98268	0.4
71.45317	0.5
73.02908	1.0
79.15174	0.4
84.59693	0.4
85.01190	0.4
95.04949	1.8
102.48588	0.5
104.04963	1.4
110.05986	0.6
111.04422	6.2
121.01649	0.5
121.05222	0.8
123.04393	0.8
132.04427	5.4
134.05998	0.8
135.03102	0.6
136.03908	4.8
138.05479	19.1
144.04399	1.2
147.03160	0.7
149.04704	4.1
150.05450	1.6
151.05006	0.6
160.03908	5.4
162.05464	9.3
163.02609	6.3
164.07039	1.2
165.04170	0.5
166.04970	100.0
167.05296	1.5
174.05460	0.9
176.07030	2.1
177.04178	13.4
178.04964	45.1
179.05345	0.7
188.03412	0.9
190.04980	5.9
192.02890	19.1
192.06514	41.1
193.03537	0.7
193.06778	0.6
202.04991	0.6
205.03728	1.4
208.06003	2.4
220.06012	45.2
221.06300	0.8
238.07057	80.5
239.07385	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	239.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47765	3.7
54.10887	4.0
56.96556	28.5
57.03433	8.1
57.92371	4.1
61.02917	7.6
69.03420	17.6
70.67477	5.9
72.08132	7.5
79.65072	3.9
81.03423	6.8
84.08132	16.0
85.02895	100.0
90.76731	4.0
95.08631	5.0
96.08142	5.3
97.02872	19.9
98.97588	30.5
99.04403	4.9
101.02561	4.6
109.02853	7.6
115.48036	4.9
116.98637	18.7
119.01915	11.9
127.03915	21.3
130.93327	10.5
134.99677	7.1
136.06212	14.5
137.02977	4.8
145.04970	15.7
146.03571	7.6
150.05513	8.3
152.07027	5.5
154.94255	4.5
167.03639	5.1
172.01570	7.0
172.94331	9.2
185.04668	4.9
190.95412	13.3
196.97383	5.8
213.04204	5.7
240.10960	16.1
256.96356	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	240.1148
Annotation	Bupropion
Peak:m/z	Relative Intensity
68.04991	1.1
69.07014	0.6
73.91863	0.6
76.92659	0.6
79.05425	0.8
82.33346	0.6
93.07040	0.8
98.22605	1.3
108.08095	0.7
120.08076	4.5
122.09608	0.7
124.07555	0.7
128.52002	0.6
128.99722	0.7
134.05983	0.9
136.07568	11.7
143.01308	7.0
148.07550	45.6
149.08348	15.2
154.04156	10.1
160.07545	3.9
162.09135	1.3
170.03658	64.5
171.04457	6.3
176.14310	1.5
184.05260	2.2
204.13808	100.0
205.14146	2.5
212.12094	0.8
222.14714	0.7
240.11465	66.2
240.23320	1.0
241.11766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1591
Annotation	Salbutamol
Peak:m/z	Relative Intensity
50.08214	0.6
52.56401	0.6
53.12420	0.6
55.01863	9.5
55.05499	1.4
56.48063	0.6
58.06566	0.8
67.05491	4.1
68.05013	3.1
69.03421	1.5
69.07062	15.2
69.92163	1.5
69.92484	0.8
70.02950	3.3
70.06581	19.5
71.04981	29.7
79.05489	4.8
79.89474	0.7
80.05013	1.6
81.07044	6.4
82.06549	1.4
83.04971	1.8
84.02114	2.2
84.04478	1.1
84.08099	0.8
86.06056	4.4
91.05467	1.3
91.36967	0.6
93.07047	1.5
94.06559	2.5
95.04956	0.7
95.07306	1.5
95.08575	1.4
96.04484	3.9
96.08118	24.4
97.05244	2.3
97.06520	1.9
98.06049	1.5
98.09686	9.4
101.33050	0.6
105.07016	1.3
106.06539	6.8
107.05006	0.7
107.07344	0.7
107.08572	2.5
108.08106	7.5
109.06516	0.8
109.10141	1.8
110.06010	0.8
112.07565	1.1
120.08107	1.8
122.06012	14.0
122.09626	0.8
124.07574	74.8
124.11172	2.3
125.08401	4.3
126.09123	1.9
134.05937	0.7
134.09624	1.1
135.08025	1.1
136.07536	1.4
137.09583	0.8
138.09033	0.7
140.07047	18.2
150.12759	5.9
152.07056	3.4
152.10680	1.7
153.07838	11.2
153.09003	1.2
154.08604	0.8
166.08682	0.8
170.63864	0.7
176.14305	3.8
194.15364	9.9
204.13812	9.9
222.14854	100.0
223.15155	1.8
240.15913	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	240.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98675	0.3
56.96554	18.2
58.06588	15.0
59.06917	0.3
69.03400	0.5
70.06575	2.6
71.01835	0.3
71.95248	1.1
72.08141	1.3
73.81097	0.3
81.03396	0.6
84.08126	9.2
86.09674	0.4
97.02883	0.5
98.06011	0.3
98.09673	1.4
98.97563	100.0
100.92335	0.3
116.98598	65.9
126.05532	0.4
126.09119	0.4
128.10687	3.0
128.98581	0.4
134.99629	29.7
136.06165	0.9
140.00177	0.8
144.10138	0.8
152.07039	0.6
152.10661	0.5
153.00661	2.8
157.01688	0.3
165.57813	0.3
166.56599	0.3
168.10173	0.9
174.97649	0.6
196.09673	4.4
215.91010	0.4
216.98637	0.8
234.99716	0.6
240.10890	1.2
240.98576	2.4
241.15411	89.2
242.15822	1.4
252.33598	0.3
258.99719	32.2
259.99933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0704
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
50.60612	0.4
51.02370	0.8
52.88332	0.4
53.03941	2.5
54.60878	0.4
55.01862	1.0
56.18726	0.3
62.98417	0.4
67.05469	0.5
69.03404	0.5
69.75038	1.4
73.02890	0.4
77.03914	3.4
79.05479	3.4
81.03423	0.5
81.07050	0.8
84.08153	0.4
91.84736	0.4
94.05033	0.4
95.04955	10.2
97.02901	0.5
98.22766	0.6
98.97572	0.7
101.02368	0.9
105.03379	100.0
105.04510	5.2
106.03722	0.9
107.04957	0.9
108.51144	0.4
109.10130	0.4
119.03397	1.0
123.04410	7.3
126.01128	0.5
148.69434	0.4
161.06042	0.5
212.23055	0.4
223.06003	1.5
234.92624	0.4
240.19611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0704
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
53.03939	4.3
53.48097	0.5
55.01868	4.3
55.05501	1.3
57.03439	3.1
57.03655	0.6
65.03938	1.2
67.01855	0.9
67.05503	2.9
69.03418	23.2
69.07058	1.2
70.06573	0.8
71.01344	1.4
71.04979	1.7
71.45783	0.8
73.02894	0.9
77.03909	2.5
79.05486	7.4
79.40809	0.6
80.86032	0.6
81.03407	18.3
81.07035	2.5
83.01318	1.7
83.04973	2.5
84.53833	0.6
85.02888	6.0
87.04462	1.1
91.05484	3.1
93.07030	2.0
93.66751	0.6
95.04960	15.8
95.08585	1.0
97.02879	24.1
97.06507	1.1
99.04439	10.5
101.02366	1.6
101.43391	0.6
103.05448	0.7
105.03378	100.0
105.04507	4.7
105.06979	1.2
106.03727	1.1
107.04942	2.5
107.08591	1.0
108.12354	0.6
109.02879	4.4
109.06538	0.7
111.04436	6.2
113.02371	0.8
113.56805	0.6
115.03928	1.5
119.03388	1.3
119.04919	1.0
121.02854	0.7
121.06500	1.3
121.10190	0.8
123.04425	10.4
125.02348	1.4
125.05988	2.1
126.01052	0.7
127.03889	5.0
131.04932	0.8
135.04425	1.7
135.11627	0.7
137.05937	1.3
139.03885	2.0
143.03355	1.0
145.04973	0.6
147.04335	1.0
149.05956	1.2
151.03891	2.3
153.05478	1.4
155.64204	0.6
159.11710	0.7
163.03842	1.0
165.05423	2.1
177.05475	2.2
181.04994	0.8
181.06514	0.8
183.06538	0.7
193.04970	1.2
195.06435	1.0
195.11549	0.7
197.08031	0.8
211.06012	2.0
223.05978	3.6
223.13130	0.8
232.78119	0.6
233.29225	0.6
240.19600	2.7
241.06961	6.1
241.12271	0.9
241.19824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77748	0.9
53.03936	1.6
55.01863	2.8
55.05500	5.0
57.03422	3.4
57.07062	6.8
65.03925	0.8
67.05498	4.0
69.03420	32.7
69.07060	7.2
69.70169	1.0
71.04977	1.8
71.40994	0.9
71.62132	0.9
74.41724	1.0
76.67196	0.7
77.68124	0.8
79.05482	3.6
81.03407	2.6
81.07046	6.0
83.04958	4.2
83.08611	0.8
85.02934	1.2
85.06525	5.5
91.05453	2.5
93.07033	7.9
94.23467	0.8
95.04962	3.2
95.08598	4.1
97.02892	6.4
97.06518	11.7
99.04461	4.3
99.05040	1.1
99.08076	3.7
101.06018	4.0
102.73723	1.0
105.03365	1.1
105.07054	2.3
107.08576	4.0
109.06505	2.2
109.10136	3.0
111.04434	1.2
111.08065	5.6
112.12013	0.9
113.05872	0.9
115.07527	0.8
118.82766	1.0
119.08578	1.8
121.06499	1.6
121.10120	11.9
123.08033	1.3
125.05965	1.2
125.09575	1.7
127.07558	11.5
130.14507	1.1
131.08588	1.1
133.10104	1.2
135.11681	3.5
139.07541	8.1
139.11157	100.0
139.66438	0.9
140.11465	2.1
142.53036	0.8
145.10101	2.2
153.06972	1.4
153.12730	3.0
155.57594	0.9
156.92427	0.9
163.07516	1.6
163.11151	2.9
181.06544	1.1
181.08623	1.7
181.12213	22.5
199.13319	3.4
223.13200	6.6
241.08820	1.6
241.14120	1.1
241.19666	1.4
245.36378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.96557	0.5
58.06593	19.2
60.08154	1.2
66.96106	0.2
69.43071	1.0
70.06585	3.0
72.08134	0.6
77.73636	0.2
81.03378	0.4
84.08129	10.3
85.02902	0.5
97.02885	0.5
98.05973	0.2
98.09668	1.6
98.97565	0.4
100.11256	0.5
104.10728	24.1
112.23093	0.2
114.05489	0.7
116.07092	0.5
116.10680	0.2
116.98650	0.2
121.01614	0.4
126.05502	0.4
126.09153	0.3
127.03900	0.3
128.10701	3.9
131.26196	0.2
136.26573	0.3
143.01924	0.2
144.10184	1.5
158.08052	0.3
161.04637	0.2
163.06116	0.2
168.10190	1.0
196.09647	5.5
213.15872	0.6
241.15427	100.0
242.15788	2.4
253.37665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50897	0.2
53.03922	0.3
56.96550	0.4
58.06591	20.3
59.06925	0.2
62.65332	0.2
63.36285	0.2
64.02648	0.2
70.06581	3.4
70.93037	0.2
72.08151	0.4
74.10475	0.2
81.03395	0.3
84.08129	10.0
85.02873	0.4
85.06528	0.4
97.02872	0.2
97.43667	0.2
98.06023	0.5
98.09668	1.4
98.97561	1.7
100.11250	0.5
103.28626	0.2
114.05502	0.5
116.07111	0.5
116.10654	0.2
116.98591	0.9
125.45622	0.2
126.05518	0.4
126.09104	0.2
128.10696	4.0
130.93672	0.2
133.04958	0.2
134.99623	0.4
144.10181	1.1
145.04875	0.3
150.09097	0.2
152.10660	0.2
168.10167	0.9
189.03891	0.3
196.09654	5.2
196.11339	0.4
213.15936	0.5
240.93535	0.2
241.15421	100.0
242.15744	2.2
258.99731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80353	1.2
53.03936	2.0
55.05494	3.7
56.96549	1.5
57.07055	2.2
65.70585	1.1
67.05493	23.8
69.07053	4.5
71.04982	100.0
77.76592	1.2
78.29766	1.3
79.05476	9.8
80.62479	1.1
81.07044	35.3
82.94540	1.3
83.04961	2.0
83.08579	2.3
85.06516	4.4
91.05456	8.1
93.06450	1.3
93.07030	26.6
95.04958	3.7
95.08589	17.7
97.06517	4.7
98.97556	5.0
99.08048	1.7
105.06999	3.4
107.08566	6.9
109.06480	1.9
109.10132	1.2
111.08064	1.4
116.98646	2.6
117.07006	6.4
119.08555	2.0
121.10115	1.3
129.07016	1.5
131.08546	8.3
133.10120	7.2
134.99585	1.8
135.11662	13.2
149.13271	8.5
159.11682	16.7
171.11624	1.8
177.12711	8.5
185.51375	1.4
199.45027	1.2
209.15338	2.7
241.11981	2.8
241.19574	4.4
242.13005	1.6
242.28387	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	242.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03966	1.5
53.03930	1.7
55.01859	3.8
56.96558	8.9
57.03419	6.6
58.06593	16.0
59.04980	1.4
59.06920	3.6
60.04507	2.6
60.46084	1.6
61.02931	3.7
63.89473	1.4
69.03411	5.7
70.06560	1.5
70.83353	2.0
71.01343	2.0
73.02905	3.7
81.03401	2.9
84.08125	6.8
85.02393	2.9
85.02888	37.3
85.08459	4.4
87.04456	4.3
89.02370	2.5
91.03937	2.0
97.02846	7.9
98.97572	5.5
101.02389	10.1
109.02856	2.5
115.03915	16.0
116.98624	4.1
127.03881	9.0
128.10692	2.3
129.01796	10.5
130.54865	1.5
130.76773	1.6
133.04883	1.9
134.99632	2.6
143.03366	7.6
145.04924	20.7
157.01285	13.9
161.04411	7.4
163.05998	7.2
175.02411	1.8
189.03909	38.1
197.09898	5.1
237.02855	2.8
241.15445	4.3
242.15755	100.0
242.24820	1.6
251.04163	3.1
251.54347	1.5
258.28476	1.5
258.48544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82077	1.6
56.96553	14.4
57.03438	3.7
58.06590	18.5
59.06911	4.9
61.02906	6.0
69.03436	9.1
70.06577	2.3
70.76634	3.1
71.01328	2.0
73.02896	3.7
81.03391	3.0
84.08119	11.2
84.96004	2.2
85.02894	54.2
85.08500	2.4
97.02876	12.0
98.97568	25.6
99.04411	2.4
99.97890	2.9
104.10732	21.9
105.11067	14.2
109.02856	3.6
110.97543	3.9
116.98619	10.2
119.01836	5.4
124.26922	2.1
125.07372	1.9
127.03876	13.0
128.98625	4.7
129.11028	2.5
134.99663	4.0
143.00084	2.2
145.04938	23.4
146.99574	2.9
158.99661	2.4
161.01114	2.6
161.04587	3.2
163.05981	8.3
189.03929	5.6
197.10004	3.4
219.01712	9.3
237.02844	7.1
241.15500	6.2
242.06967	4.8
242.15770	100.0
242.21031	3.0
243.16409	2.0
259.99918	3.1
260.08215	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	242.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.5
56.96571	14.1
57.03439	9.3
58.06599	19.0
59.06925	4.0
61.02917	5.7
69.03417	8.0
70.06577	3.6
70.42697	4.0
71.01356	3.9
71.04980	2.9
71.24541	1.9
72.69843	1.9
73.02912	6.3
84.08153	11.9
84.95998	1.7
85.02904	63.2
85.08456	3.8
87.04468	6.0
89.02393	3.6
91.03912	3.1
97.02883	14.3
98.97549	10.6
99.04483	2.7
101.02388	11.9
106.74864	1.8
109.02893	4.5
110.97496	2.1
115.03930	20.5
116.98588	9.5
117.83995	1.8
119.21157	1.8
127.03895	14.4
129.01833	13.8
129.11044	2.3
133.04965	2.8
134.99626	4.7
143.03418	7.9
145.04944	28.9
157.01306	18.4
161.04500	9.0
163.06032	7.5
169.10402	2.4
175.02365	2.3
177.00819	2.7
177.67900	1.9
186.99210	2.6
189.03925	45.6
191.82085	2.4
196.09697	4.1
197.09956	4.7
219.01689	3.0
241.15535	2.5
242.06877	2.9
242.10092	4.1
242.15782	100.0
251.04231	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	242.1748
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01868	8.5
55.05498	1.6
56.05025	2.6
64.19356	0.7
67.05499	1.6
67.08790	0.7
67.46618	0.7
68.05008	2.5
69.03419	1.5
69.07067	1.5
70.02942	2.9
70.06586	7.0
71.04988	33.7
71.08622	14.4
79.05488	2.1
80.04980	0.9
81.03431	0.9
81.07050	1.2
82.06564	0.8
83.08589	0.9
86.06063	5.3
90.29000	0.8
93.06997	1.1
94.06557	1.9
95.08616	1.8
96.08118	26.3
98.06055	2.2
98.09685	19.9
98.23505	1.7
99.08086	8.8
108.08114	5.8
122.06014	15.5
125.08357	2.6
126.09090	1.0
126.12776	3.3
136.07605	1.5
136.65135	0.8
139.11177	1.8
140.07051	16.7
151.11108	1.1
154.12241	4.9
178.15862	7.8
196.16962	16.4
206.15401	15.5
224.16426	100.0
225.16736	1.3
242.17462	1.5
242.21199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2839
Annotation	1-Hexadecylamine
Peak:m/z	Relative Intensity
57.07066	2.9
58.06586	3.2
69.19296	1.8
70.06570	0.5
72.08126	0.5
72.64680	0.3
74.09690	1.2
75.29288	0.3
100.11237	15.2
116.98590	0.3
128.14345	1.5
130.15884	4.4
139.89055	0.3
142.15886	39.9
184.20566	6.2
186.22142	12.0
186.23834	0.4
204.13857	0.4
242.28378	100.0
243.28645	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0861
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03931	1.9
55.01864	1.6
56.96568	1.4
57.03428	1.3
61.02920	10.1
65.03930	9.3
67.05496	4.4
69.03416	1.5
69.07047	1.2
70.06587	2.3
71.01746	1.1
71.04959	1.3
77.03894	1.2
78.04720	1.0
79.05466	4.8
81.03402	2.2
81.07044	6.8
82.04184	2.5
83.04970	1.0
84.04524	0.8
84.08134	2.9
85.02898	3.6
86.09704	2.3
90.80975	0.9
91.05463	19.1
93.03394	3.0
93.07043	1.4
94.04174	1.6
95.04957	19.3
95.08590	1.1
97.02876	1.9
97.06529	2.9
98.97565	2.1
99.04436	1.1
99.20048	0.8
105.03377	3.8
105.04514	2.3
105.07041	1.3
107.04940	7.1
107.08585	1.5
109.06503	15.8
110.03674	5.0
111.04430	3.5
112.47160	0.9
116.98608	2.0
117.97432	0.8
119.04934	5.6
119.08553	1.1
121.06517	1.2
121.27072	0.8
122.03641	1.3
123.04408	13.3
124.07512	0.8
125.02344	8.2
125.06001	3.9
126.01052	1.0
132.01999	0.9
133.02843	11.0
134.99632	1.8
135.04417	3.4
136.05147	1.0
137.05963	20.2
138.03098	1.9
138.06400	0.9
139.03928	0.9
140.04659	100.0
141.04974	1.5
142.02596	1.3
143.38084	1.0
146.03664	1.7
147.04376	7.3
149.02365	1.0
151.03891	1.5
151.23920	0.9
152.04665	4.2
153.05421	4.9
155.07002	79.3
156.07416	1.4
163.03882	2.9
165.01874	1.6
165.05450	20.1
165.06776	1.4
167.06902	0.9
169.04918	1.5
171.06497	7.1
173.08076	6.0
174.03085	1.6
175.05048	1.2
179.06995	11.2
180.04143	15.9
180.05620	1.4
181.04930	66.2
182.05342	1.7
183.06522	3.5
184.03670	0.9
193.04916	22.9
193.06541	1.7
195.06476	10.4
196.07265	0.9
197.06187	1.6
197.08038	10.8
207.06482	23.3
225.07513	17.1
243.08620	9.9
243.11203	2.3
243.17831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05005	0.3
69.07056	0.2
69.98147	0.2
70.06582	100.0
71.04976	0.1
71.06908	0.9
73.04594	0.1
81.07043	0.2
86.09692	2.3
88.73059	0.1
92.65675	0.1
95.08633	0.1
99.03123	0.1
100.36494	0.1
100.65815	0.1
105.56336	0.1
145.85962	0.1
146.11745	3.7
165.13901	0.1
175.58035	0.1
183.14890	1.1
184.26135	0.1
242.96423	0.1
243.17006	11.1
244.17319	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	244.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65021	0.2
55.76595	0.2
56.96551	2.2
58.96143	0.3
59.96160	0.2
60.95845	0.6
82.38177	0.2
82.99841	0.2
84.96020	0.4
98.97569	7.9
99.97901	2.5
100.97169	0.9
100.97961	0.5
101.00868	2.9
101.97161	1.0
102.00936	1.9
102.96855	2.7
103.00620	0.5
116.97761	0.3
116.98605	5.6
117.98937	1.9
118.98188	0.6
118.99001	0.2
119.01904	8.9
119.98233	0.7
120.01982	5.4
120.97891	1.9
121.01656	1.0
123.97837	0.2
134.99648	2.6
135.99944	1.7
137.02914	1.8
137.99236	0.3
138.03036	1.1
138.98959	0.8
139.02646	0.3
141.98964	0.4
153.00696	0.2
154.01060	0.2
156.99933	0.2
158.99832	0.4
159.99957	2.1
160.99664	0.4
173.94711	0.2
174.97641	0.2
176.03090	0.2
177.00917	4.1
178.01022	20.7
179.00652	4.5
180.01266	0.2
180.97202	0.2
183.07961	0.2
183.99861	0.9
185.00851	0.2
190.95349	0.2
194.04218	0.4
200.03038	0.2
201.00937	0.3
202.01010	2.1
203.00638	0.3
218.04160	3.4
219.02014	2.3
219.03928	0.5
220.02081	26.1
221.01746	6.3
222.02315	0.2
225.01096	0.2
226.00943	2.0
226.02733	0.2
227.00661	0.3
238.98351	0.6
244.02055	9.7
244.98105	0.4
245.01686	1.6
261.03012	0.5
262.03140	100.0
262.67847	0.2
262.99219	0.9
263.02811	15.8
264.03455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32080	1.1
50.54707	1.1
52.73960	1.3
55.05506	2.7
56.96558	58.4
58.02956	1.8
58.06583	2.6
68.99782	1.8
69.03404	1.5
69.07073	1.9
69.61469	4.4
71.04969	4.6
72.05627	11.6
72.08138	4.9
79.02428	1.1
79.05467	1.8
81.03414	3.5
83.04937	1.1
83.06139	1.3
83.11642	1.3
84.08120	2.5
84.21451	1.3
87.05605	2.9
90.03424	3.7
97.06591	1.5
98.23373	2.5
98.97564	9.4
100.05087	24.0
100.07606	2.5
100.99695	2.2
101.06064	1.5
102.96815	2.4
107.06039	1.8
110.02379	1.3
111.00809	2.0
116.98602	9.2
120.97887	2.3
124.07599	2.3
126.01064	1.8
127.03923	2.6
128.00754	100.0
132.05544	1.7
134.99626	4.2
139.00200	3.1
141.10262	1.4
142.01801	1.9
146.01816	2.3
157.01343	1.6
160.02850	1.6
170.02922	8.8
173.01288	2.3
176.03780	5.1
178.05348	7.2
181.48820	1.2
183.03302	2.0
185.02888	3.5
187.05591	1.5
188.97023	2.2
194.04834	1.7
196.06418	6.2
201.04344	2.9
204.03142	1.3
219.01651	1.4
222.04338	23.5
227.05145	5.2
240.05382	18.1
245.06137	91.1
245.09950	93.7
246.06535	1.6
246.18156	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	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.22855	0.4
55.05491	0.5
59.22871	0.4
61.28588	0.5
73.35071	0.5
75.95000	0.4
86.09695	100.0
87.10018	0.9
90.49755	0.5
90.95712	0.5
93.06908	0.5
94.70653	0.4
105.07030	0.4
109.02713	0.5
132.10197	3.8
161.63539	0.4
181.06534	1.3
199.18091	1.6
204.93039	0.5
209.05960	1.8
211.32350	0.4
227.07100	1.8
244.03288	0.5
245.08044	2.1
245.18674	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	246.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05252	1.6
55.05502	20.3
57.03419	3.9
57.07062	2.2
58.06583	5.6
67.05495	18.4
69.06704	1.8
69.07054	22.3
70.06581	19.7
71.46024	1.4
78.15941	1.1
79.05466	2.0
81.06558	1.8
81.07043	29.4
83.08624	9.3
84.08112	2.1
85.02854	2.5
95.08589	30.2
97.06527	1.2
97.10158	8.5
105.06994	1.7
109.10136	14.8
111.11696	2.2
123.11689	6.4
127.03900	4.3
137.13240	2.7
162.37425	1.1
184.83327	1.2
193.19427	1.9
204.40811	1.4
210.22136	100.0
210.40805	1.2
211.22398	2.0
228.23198	76.5
229.23480	2.8
246.08435	1.2
246.24251	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	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.5
58.06587	0.9
66.25330	0.6
69.74170	1.6
70.06578	1.1
72.08152	1.6
74.57127	0.6
84.08141	1.4
85.02917	1.4
86.09700	1.5
97.02907	0.8
98.22702	0.7
98.97557	3.2
100.07611	1.2
101.00884	1.4
113.57844	0.6
116.98594	1.6
118.73397	0.7
119.01923	1.7
121.03510	0.7
131.01936	2.0
138.93150	0.6
145.03436	1.8
146.99631	0.9
155.01906	0.6
157.03468	1.5
173.03047	0.8
175.04550	1.3
203.03937	0.7
212.43256	0.7
221.05046	2.2
246.18129	1.2
247.07904	100.0
248.08270	1.0
265.07562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0785
Annotation	bis-(4-hydroxybenzyl)sulfide
Peak:m/z	Relative Intensity
53.86362	0.5
60.08147	0.6
69.45844	0.5
69.56122	0.5
70.47130	1.1
84.08126	0.6
96.92800	0.6
100.07603	1.1
101.00893	0.5
103.02426	0.6
104.10728	10.6
112.12732	0.5
119.01926	0.9
131.01901	0.7
145.03416	0.8
173.02953	0.5
203.50177	0.5
221.04974	0.8
229.03047	1.1
247.04353	3.8
247.07858	100.0
248.08252	1.4
261.54297	0.5
265.07495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.05474	5.0
57.07093	4.2
61.02916	7.9
63.35704	3.9
66.57338	4.0
67.05503	9.5
69.03421	38.5
69.91217	3.8
71.04987	6.8
79.05499	6.4
81.03414	53.8
81.07058	9.2
84.60474	3.8
85.02894	86.2
89.46613	3.7
91.05478	10.6
93.07034	8.4
93.91871	4.4
95.08593	16.2
97.02272	4.3
97.02885	71.1
99.04436	18.5
104.99255	4.5
105.07017	13.6
107.08553	11.3
109.02866	100.0
109.10118	10.8
117.07010	5.8
118.29469	4.2
119.08569	9.2
121.10144	6.7
127.03893	67.5
127.04761	7.0
131.08574	8.6
133.06421	4.3
133.10075	7.3
135.11713	4.9
140.85995	5.4
145.04932	9.4
145.10118	9.8
159.08076	8.1
159.11601	7.6
163.92551	3.9
187.05986	13.1
247.07634	5.3
247.13293	7.9
247.16966	19.2
260.84238	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	247.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.9
55.01877	2.2
56.36615	1.4
57.03436	3.2
67.05494	2.2
69.03438	7.0
69.07082	2.7
69.14830	3.9
69.15236	6.5
71.05007	4.7
73.65536	1.4
81.03410	30.4
81.07069	4.5
85.02888	41.5
91.05499	2.8
93.07056	2.2
95.08655	3.9
97.02879	14.9
99.04436	15.4
103.03928	20.2
105.07049	6.3
107.08612	4.4
109.02869	37.4
109.10143	2.0
119.08554	2.0
127.03899	100.0
129.07036	1.6
131.08548	3.7
133.10164	2.8
145.04979	6.2
145.10159	4.3
169.04930	8.3
185.13373	2.3
187.06030	5.3
216.72711	1.6
229.07085	2.6
247.16866	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	247.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01843	2.5
59.08259	1.8
69.03414	11.3
70.41788	4.2
71.04981	6.6
75.30515	1.8
81.03406	24.6
85.02883	11.2
87.13517	2.0
89.21064	1.9
91.65924	2.0
97.02878	9.1
99.04434	23.3
103.03949	4.8
105.07031	1.8
109.02867	25.8
127.03896	100.0
140.01205	2.1
145.04959	7.4
169.04961	5.0
187.05992	4.1
232.95816	2.1
247.16661	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	247.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.9
55.01877	2.2
56.36615	1.4
57.03436	3.2
67.05494	2.2
69.03438	7.0
69.07082	2.7
69.14830	3.9
69.15236	6.5
71.05007	4.7
73.65536	1.4
81.03410	30.4
81.07069	4.5
85.02888	41.5
91.05499	2.8
93.07056	2.2
95.08655	3.9
97.02879	14.9
99.04436	15.4
103.03928	20.2
105.07049	6.3
107.08612	4.4
109.02869	37.4
109.10143	2.0
119.08554	2.0
127.03899	100.0
129.07036	1.6
131.08548	3.7
133.10164	2.8
145.04979	6.2
145.10159	4.3
169.04930	8.3
185.13373	2.3
187.06030	5.3
216.72711	1.6
229.07085	2.6
247.16866	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	247.0963
Annotation	Fraxinellonone
Peak:m/z	Relative Intensity
51.02355	1.2
53.03928	2.8
55.01613	1.0
55.01866	15.0
55.05510	1.4
57.03436	1.8
59.66035	0.8
61.02914	3.9
67.05492	7.6
67.41837	0.9
68.99761	1.5
69.03425	4.4
69.68011	1.5
69.68366	2.6
71.01313	1.7
73.02901	3.2
77.03923	1.3
79.05482	7.3
81.03407	49.5
81.07034	9.0
85.02884	6.0
91.05466	16.0
93.07037	5.4
95.04945	7.9
95.08598	11.4
97.02872	1.6
101.00880	1.0
102.07317	0.8
103.05443	3.8
105.03389	1.0
105.04488	1.1
105.06337	1.6
105.07013	22.8
107.04939	7.0
107.08506	0.8
109.02854	3.0
109.06497	3.4
115.05444	12.8
116.06221	2.8
117.07005	10.1
119.08570	1.8
121.06495	28.6
123.08056	2.1
126.09197	0.8
128.06200	32.1
129.06999	29.3
130.07736	1.9
131.04910	6.2
131.08546	15.0
132.05612	1.6
133.06476	23.3
141.06969	16.7
143.08553	7.5
144.05705	10.0
145.06467	17.2
145.10121	2.1
147.04390	2.4
147.08044	4.6
148.11165	1.0
151.07520	100.0
152.06169	2.8
152.07829	1.7
153.06949	10.0
154.07744	2.9
155.04907	1.5
155.05957	4.8
155.08517	16.4
156.05643	1.1
156.08823	1.0
157.06471	59.2
158.07263	17.3
159.08035	36.1
161.05957	2.6
165.05603	2.0
165.06970	8.3
168.05695	4.0
169.06433	9.1
169.07585	1.0
171.08028	46.4
172.08688	1.9
173.05962	2.6
173.09625	5.9
175.07512	16.5
177.09030	2.1
179.07001	45.4
181.06448	1.2
183.08011	22.2
183.09538	1.5
185.05951	19.2
187.07527	15.3
189.09087	18.6
193.06351	1.6
199.07513	3.5
200.08336	1.3
201.09062	34.7
202.08688	3.4
203.06921	7.6
204.10182	2.0
205.08655	2.0
205.35368	1.0
211.07489	9.9
217.08574	11.7
219.09962	1.2
229.08563	42.1
230.08891	0.9
247.07256	1.9
247.09630	32.5
248.09193	3.2
248.12735	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0962
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
53.03932	2.1
55.01865	14.0
56.96569	1.1
57.03421	2.1
58.06585	1.0
61.02914	4.3
67.05495	6.2
68.99792	1.4
69.03419	4.2
70.08280	0.9
71.01348	1.7
73.02921	1.9
79.05476	5.7
81.03401	44.6
81.07044	9.1
85.02875	5.8
91.05462	14.2
93.07042	5.0
95.04948	5.3
95.08595	11.4
97.02882	1.8
103.05457	3.7
105.03373	1.2
105.07008	21.8
107.04942	5.6
109.02840	1.9
109.06492	3.9
114.35394	1.0
115.05425	11.2
116.06234	2.5
117.06998	10.2
118.94031	1.0
119.08548	2.0
120.05688	1.2
120.08027	0.9
121.06484	24.6
123.08054	1.7
126.09187	1.0
128.05211	1.4
128.06194	28.0
129.06990	24.5
130.52872	0.8
131.04909	4.1
131.08543	12.6
133.06464	19.9
141.06956	12.0
143.08514	6.3
144.05676	7.4
145.06461	14.6
145.10107	2.4
147.08008	5.8
151.07512	100.0
152.06131	2.0
153.06976	8.4
154.07797	2.7
155.06024	4.4
155.08539	14.0
157.06459	54.4
158.07248	13.5
159.08031	32.3
161.05942	3.1
165.05551	1.8
165.07005	7.7
168.05701	5.0
169.06430	8.9
169.07645	1.5
170.07156	1.1
171.08029	38.2
172.08818	1.1
173.05946	1.9
173.09613	6.4
175.07521	18.4
177.08998	2.0
179.06998	37.2
183.08028	20.3
184.08359	1.2
185.05931	17.7
186.06792	1.4
187.07497	13.8
189.09067	18.1
193.06355	2.4
199.07500	4.7
200.08278	1.5
201.09068	33.1
202.08585	2.4
203.06993	5.6
204.10162	2.1
205.08469	1.9
211.07516	8.5
217.08560	9.8
229.06281	2.1
229.08551	39.1
230.08740	1.0
247.07230	2.1
247.09598	28.5
248.09137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56327	1.0
55.05504	1.4
56.96282	2.3
56.96558	39.1
69.48332	4.9
71.95260	1.7
72.96039	1.7
74.97607	1.2
81.03409	1.1
85.02907	5.8
86.09679	5.9
98.97573	100.0
99.97864	1.3
110.97575	2.1
116.19324	1.1
116.98608	55.3
126.02242	1.6
130.93294	1.7
134.01176	1.3
134.99634	19.2
140.03815	4.0
142.05371	2.3
143.00053	1.3
153.00578	2.1
154.03886	6.7
158.04814	3.1
158.99666	1.8
160.06438	7.1
163.04471	1.8
170.04918	2.5
171.03151	2.1
177.00670	2.1
178.07494	1.2
186.99260	1.7
188.05878	3.4
189.04326	11.8
202.07423	1.2
204.10165	2.4
206.06973	8.7
207.05391	6.0
212.05943	1.7
224.07983	9.1
230.06992	30.3
231.05354	1.8
248.08017	59.2
248.99184	3.0
249.08456	2.0
266.09091	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	248.128
Annotation	4-Epiphyllanthine
Peak:m/z	Relative Intensity
55.01870	0.7
58.06591	0.6
69.03439	0.4
69.07057	0.6
71.36590	0.4
71.44189	0.4
79.05476	1.4
80.05013	2.5
81.03420	0.7
91.05475	0.4
94.06557	6.6
95.07337	11.5
97.06513	4.1
106.06529	1.5
107.04939	1.1
108.04472	2.7
109.02892	0.8
122.06013	25.5
123.04432	0.5
123.06797	23.1
131.04907	0.6
131.08533	0.7
131.49551	0.4
133.05290	0.6
134.05983	1.8
135.04405	1.5
140.17921	0.5
145.02876	0.7
148.07553	2.3
150.05486	26.6
151.06264	100.0
152.07037	3.2
159.08043	0.6
161.05881	0.5
162.05467	5.0
176.10674	0.8
177.05453	1.9
181.64139	0.5
202.12263	0.7
204.10172	8.0
204.11923	0.7
220.13313	1.4
220.38191	0.4
248.12784	53.5
249.13155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01872	3.8
55.05497	31.6
56.05029	10.1
57.03424	10.2
57.07064	7.0
58.06589	9.2
67.05492	47.8
69.07052	29.3
70.06581	39.6
71.04989	5.9
79.05482	43.8
81.07046	79.8
81.07496	5.1
82.06570	3.6
83.04988	5.0
83.08591	12.8
84.08141	10.1
85.06538	18.9
86.09689	3.1
91.05473	14.3
91.45652	2.6
93.07032	48.4
95.04984	7.7
95.08592	86.9
95.09210	4.3
96.08125	4.5
97.06513	11.6
97.10155	16.9
98.09689	6.3
99.08083	11.6
100.82227	2.7
105.07014	4.2
107.04948	6.3
107.08566	35.0
109.10132	20.1
110.09691	3.6
111.11747	2.9
112.11189	3.8
115.05444	7.9
117.03391	8.2
121.06460	18.7
121.10138	34.3
123.11662	5.9
125.09658	5.1
127.54023	2.4
131.04933	4.8
131.08557	3.8
134.06026	3.3
135.04404	9.8
135.11661	25.1
140.56546	2.7
143.04936	15.4
145.02823	29.2
146.06088	3.7
148.07545	4.3
149.05954	4.0
149.13208	3.7
150.05565	3.2
152.07048	3.2
153.74988	2.3
159.08084	2.7
161.05969	7.7
162.05429	12.9
171.04402	6.4
174.09222	4.8
175.07552	11.2
177.05429	36.9
177.16339	27.2
187.07544	3.5
194.19011	43.6
195.17421	34.9
202.08633	10.2
203.07021	20.8
204.10165	29.8
212.20065	100.0
213.20450	3.7
230.21123	84.8
248.09169	4.3
248.12752	83.4
248.18484	3.8
248.22195	44.7
249.07565	7.6
265.21121	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	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	11.0
68.11678	6.3
69.42975	25.9
80.37624	6.1
88.78881	6.3
94.92987	15.0
98.97568	100.0
104.10674	6.8
116.98605	28.6
118.08682	6.6
120.50187	6.3
128.98558	8.2
132.48779	6.5
134.99623	9.4
158.99648	33.3
177.00682	20.7
183.38313	5.9
189.00711	6.9
189.25108	7.0
207.01801	8.8
249.03664	71.9
249.08066	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	250.1073
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
55.01868	0.8
55.16223	0.2
58.06584	0.5
67.05495	0.5
69.07062	0.8
71.44316	0.3
72.08154	6.0
77.03930	0.6
79.05486	5.7
81.07056	0.6
84.08138	0.7
91.05482	1.0
95.04971	1.6
97.06522	9.7
98.89485	0.3
98.98461	11.9
100.03991	0.5
103.05448	3.1
105.03390	6.7
105.07020	100.0
106.07360	1.6
112.11224	0.7
116.99473	0.3
119.04939	0.9
119.08560	0.5
122.09654	0.9
130.06516	1.0
134.06010	0.5
135.04413	0.4
137.05965	5.9
147.04431	0.6
158.09605	1.0
162.09116	5.6
166.70345	0.3
174.99271	0.5
176.10664	1.0
179.11800	0.5
186.09123	63.7
187.09515	1.4
189.09113	1.0
203.55956	0.3
204.10143	2.9
232.09657	12.3
233.09669	0.5
233.11731	6.4
233.13977	0.6
233.16508	2.2
248.66212	0.3
250.10791	4.8
250.14577	0.6
250.19072	3.6
250.21638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29719	0.9
56.96548	1.5
57.10193	0.7
58.06585	4.3
69.32320	1.5
69.32712	2.8
72.02809	0.9
72.08144	98.5
72.97785	0.8
77.03937	1.2
84.08124	4.2
95.04977	1.5
98.97586	2.6
98.98451	49.5
105.03374	86.7
106.03729	1.2
112.11229	7.9
116.98660	4.0
116.99412	0.9
134.06010	6.3
134.99652	4.7
140.00984	1.0
162.09116	100.0
163.09431	1.1
164.90607	1.0
174.99200	1.5
176.10670	7.9
179.11752	12.2
188.97803	0.8
205.39192	0.9
233.16457	35.5
234.16827	1.5
244.89684	1.2
250.19121	56.9
251.19588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81507	0.5
56.96553	0.9
63.58244	0.5
69.92912	1.4
72.08145	100.0
73.08482	0.8
77.03921	1.0
84.08125	0.9
85.97074	0.5
87.61548	0.5
95.04947	1.0
96.13241	0.4
98.22688	0.7
98.97578	1.9
98.98457	7.6
105.03378	67.5
106.03693	1.0
112.11230	1.5
116.98618	0.8
134.06003	5.4
136.06218	0.6
162.09117	98.5
163.09447	1.5
176.10594	0.8
179.10310	0.9
179.11768	11.6
206.11925	0.5
233.16446	27.3
234.16806	0.8
234.74005	0.6
250.19109	37.7
251.19499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	16.7
70.03902	17.3
72.08148	28.9
76.83079	7.6
94.93000	100.0
97.02899	15.8
98.97577	30.5
98.98461	66.4
105.03368	19.3
118.92065	8.5
160.94016	9.6
162.09097	18.1
188.93515	17.7
206.94559	37.6
209.03352	10.3
233.12759	10.2
250.93402	10.1
251.13980	22.6
251.16869	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1277
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
53.03935	1.7
55.01857	2.8
55.05495	3.5
57.03431	1.5
59.04991	1.2
65.03918	1.0
67.05499	9.1
69.03419	3.4
69.07047	2.9
71.04982	13.0
77.03905	1.2
79.05479	14.4
81.03390	2.6
81.06609	1.6
81.07043	16.6
83.04969	10.7
85.06530	2.7
91.05466	22.4
93.07034	23.9
95.04964	10.8
95.08592	6.8
97.02874	1.1
97.06526	5.7
98.22617	2.2
98.98455	100.0
99.04438	22.1
103.05461	1.9
105.04523	1.4
105.07017	30.2
106.07365	1.2
107.04944	10.3
107.08578	12.7
109.06505	27.3
109.10143	2.3
111.04431	4.5
113.05985	1.3
115.05454	2.2
116.06208	1.3
116.99474	2.6
117.07000	16.1
119.04925	3.9
119.08561	7.3
121.06484	5.9
121.10128	4.8
123.08048	1.7
125.06001	2.7
127.07541	1.4
128.06184	2.7
129.06975	3.5
130.07773	5.8
131.04907	3.0
131.08546	22.0
133.06482	3.7
133.10164	2.4
135.08043	16.8
135.11688	4.5
137.05945	20.7
141.06956	1.0
143.08548	12.1
144.09328	2.2
145.06467	8.7
145.10103	56.3
146.10507	1.3
147.08031	9.9
147.11676	2.2
149.05963	1.8
149.09618	3.8
151.07533	5.3
152.06233	1.5
153.05457	3.2
153.06819	1.0
153.09071	3.9
154.07784	1.2
155.08492	4.5
157.10129	1.4
158.07271	3.7
159.08066	2.2
159.11679	16.9
161.09621	4.5
163.07483	3.0
163.09657	1.6
163.11139	10.5
165.07002	3.6
167.08554	1.7
169.10110	6.4
171.08025	1.6
172.08817	1.3
173.09602	32.7
174.99178	2.7
177.07045	1.2
177.12718	1.7
178.07750	2.6
179.08531	2.2
181.06483	1.5
181.12151	1.3
187.11147	26.2
187.48271	1.0
189.06976	2.7
189.09079	2.7
189.12776	1.8
190.07768	3.4
191.08549	7.0
191.10646	38.0
191.86078	0.9
192.09219	1.7
193.06459	2.1
193.08537	2.2
194.07303	1.6
195.07991	1.8
197.09608	3.1
202.07759	3.4
203.08582	1.0
205.06480	2.8
205.12198	18.3
207.07997	7.8
208.08792	16.0
215.10646	14.7
218.07338	1.2
219.08020	7.0
220.08771	13.0
221.05992	2.4
221.09514	2.3
223.07524	2.6
223.11147	2.1
227.82495	1.0
233.09647	2.0
233.11693	18.3
235.07475	4.2
236.08284	31.5
250.09706	0.9
251.07146	5.4
251.10611	76.7
251.12831	11.8
252.07764	1.9
252.11044	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	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
50.09950	1.3
50.11970	1.2
52.08026	1.4
53.03935	3.1
55.01867	5.2
55.05506	7.2
57.12124	1.3
65.03939	1.4
65.88453	1.2
67.05492	12.7
69.03428	5.0
69.07066	4.7
71.04987	21.7
72.08151	2.6
77.03906	2.1
79.05473	21.0
81.03405	4.0
81.07048	23.1
83.04965	16.5
85.06538	4.5
91.05472	39.1
93.07031	35.6
95.04964	17.0
95.08577	10.0
97.02893	1.9
97.06513	9.6
98.98452	100.0
99.04442	32.3
99.61873	1.3
103.05466	1.8
105.03420	2.2
105.04462	2.8
105.07019	49.4
106.03671	1.6
107.04943	15.5
107.08579	15.8
109.06502	46.8
109.10161	2.5
111.04421	7.4
113.06010	1.8
115.05459	4.4
116.06224	2.5
117.07001	23.9
119.04942	4.8
119.08574	15.4
121.06485	8.7
121.10159	4.5
123.04473	1.6
123.08065	3.2
125.05972	3.2
127.07510	1.4
128.06224	4.3
129.07010	7.5
130.07765	10.7
131.04948	3.6
131.08549	32.7
133.06465	9.4
133.10121	4.5
135.08031	21.0
135.11664	7.2
137.05949	29.0
139.07524	2.5
141.06998	2.7
142.07942	1.4
143.08524	16.3
144.09344	4.6
145.06459	9.9
145.10104	88.0
146.07201	1.6
146.10501	2.3
147.08003	14.6
149.05954	3.4
149.09584	4.1
151.07477	8.6
153.05527	4.1
153.06996	1.8
153.09113	4.1
154.07787	3.3
155.08490	3.9
157.10130	1.5
158.07251	4.7
159.08061	3.5
159.11678	22.8
161.09587	8.8
163.07549	2.8
163.09628	2.6
163.11150	17.5
165.06987	2.3
169.10158	9.7
171.08058	1.7
172.08818	3.0
173.06239	1.7
173.09593	42.0
174.99289	3.0
177.05396	1.6
177.12643	1.9
178.07742	1.7
179.08609	3.2
181.12238	1.8
187.11150	41.0
189.09116	4.0
189.12691	3.0
190.07730	3.0
191.08611	6.3
191.10645	51.1
191.12422	3.2
193.06464	1.9
193.08589	2.2
197.09605	3.3
205.06500	2.0
205.12198	32.5
207.08034	5.1
208.08813	9.7
215.10625	22.6
219.08076	6.2
220.08810	10.2
233.09482	1.8
233.11668	32.5
235.07501	2.7
236.08258	19.6
251.06931	3.6
251.10622	41.0
251.12840	18.0
251.19849	3.0
252.11034	1.9
252.19637	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1275
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
50.58660	0.8
53.11300	0.9
55.01858	1.9
55.05508	1.5
57.03431	15.4
59.04982	1.6
64.73920	1.0
67.05487	2.6
69.03430	1.6
69.07068	2.3
69.35896	4.7
71.04992	1.3
72.08142	1.9
76.78620	1.0
79.05482	3.0
81.07043	5.0
83.04975	2.4
91.05468	15.2
93.07034	3.6
95.04945	1.9
95.08590	1.5
97.06513	9.5
98.06855	3.8
98.98451	100.0
99.08102	1.0
105.07036	3.3
107.08578	1.9
109.06499	2.8
109.10072	1.8
111.04377	1.2
115.05447	4.2
116.99498	2.3
117.07030	3.4
119.04920	6.8
119.08575	2.0
121.06561	1.0
121.10130	1.8
123.04434	1.9
128.06241	0.9
131.04890	1.7
131.08563	2.8
133.06451	1.6
135.07967	1.4
137.05957	68.5
138.06313	4.3
143.04889	3.0
143.08524	1.6
145.06435	6.4
145.10149	2.8
149.05945	3.0
157.09985	1.2
159.08006	2.2
160.05315	0.9
161.05966	11.3
163.03882	1.3
163.07487	2.2
163.11176	1.3
169.10103	1.2
173.06006	1.4
174.99196	3.2
177.05452	1.8
177.09085	1.8
187.11192	3.0
187.14658	1.0
189.09093	2.3
191.07002	14.0
191.08597	1.4
197.09756	1.2
205.08615	1.2
206.25145	1.0
215.10617	5.8
233.11688	31.3
234.12016	7.4
251.06781	1.6
251.10768	1.0
251.12776	7.7
251.16438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03936	1.6
55.01851	1.6
55.05505	8.9
57.03421	1.4
57.07061	1.5
59.04970	1.7
65.03934	2.2
67.05493	100.0
69.07055	10.4
71.04981	2.1
71.43382	0.9
72.08130	3.3
72.90627	1.0
73.08467	1.0
79.05481	20.3
81.07043	92.1
82.07374	1.6
83.04965	3.0
83.08599	4.6
85.06528	2.8
91.05465	5.6
93.07034	24.3
95.04955	2.0
95.08591	68.4
96.08942	1.2
97.06513	2.7
97.10149	2.9
98.98449	74.5
99.08095	1.2
105.03384	2.4
105.07021	4.1
106.03690	2.4
107.08582	15.6
109.06525	1.7
109.10136	48.7
111.08096	1.3
111.11711	1.1
116.99481	1.9
117.07008	3.0
119.08575	4.3
121.06471	1.4
121.10117	12.8
123.08077	2.1
123.11690	25.1
125.09598	0.9
131.08569	5.8
133.10086	5.5
135.08040	2.7
135.11674	11.4
137.09642	1.7
137.13242	9.0
145.10114	4.3
147.11656	2.5
149.09567	6.4
149.13249	6.6
151.11247	1.1
151.14777	1.0
153.09048	1.9
159.11681	7.0
162.09114	1.0
163.09471	3.8
163.11104	4.6
167.10661	3.4
167.14148	1.1
171.18146	0.8
173.13261	2.3
174.99229	1.7
177.11238	1.0
177.12718	3.5
181.12248	4.8
191.14227	0.9
191.17905	3.5
195.13820	4.5
205.19501	2.0
209.15350	2.4
215.17940	6.9
233.18935	7.9
234.16768	1.3
238.79785	1.0
251.04558	0.9
251.10239	1.2
251.16364	2.3
251.20006	46.0
252.20348	1.2
274.58179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2367
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
52.78933	1.0
53.03934	1.7
55.01854	1.9
55.05505	59.0
56.01573	0.9
57.03425	3.1
57.06813	1.6
57.07072	25.0
59.04989	1.9
64.23343	1.1
65.03933	1.1
67.05497	64.4
68.05833	1.1
69.07061	84.9
69.19640	5.8
69.25338	1.0
69.60835	0.9
71.04975	4.1
71.08624	15.2
72.08143	1.2
73.59072	1.1
79.05482	30.8
81.07050	75.6
83.04979	3.3
83.08611	63.2
85.06537	3.5
85.10168	6.9
91.05464	4.1
93.07032	40.5
95.04960	3.4
95.08595	69.9
97.06519	22.9
97.10159	43.8
98.23442	1.6
98.98456	97.4
99.08065	2.5
105.07007	2.0
107.08577	26.0
109.10142	26.4
111.08080	14.0
111.11700	12.2
113.09618	1.5
116.99492	3.2
121.10133	60.6
123.11694	12.5
125.09609	5.5
125.13274	1.9
127.11119	1.4
129.12756	1.9
135.11676	49.2
135.87225	1.1
137.13264	11.8
139.11169	3.9
139.14853	1.1
141.12776	1.2
146.76811	1.3
149.13246	19.3
151.14793	10.4
153.12720	1.3
159.11697	1.2
163.14832	8.1
165.16498	1.6
174.99251	2.3
177.16342	4.1
191.17920	1.9
205.98682	1.1
233.22595	42.0
251.10281	3.5
251.23671	100.0
252.24004	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	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20863	1.1
55.05503	1.3
56.96554	12.5
58.35930	1.1
61.02910	1.5
67.72121	1.1
69.03413	3.0
70.41120	2.1
73.06548	5.9
85.02902	15.3
86.64272	1.0
97.02901	2.7
98.97606	4.8
98.98451	100.0
103.05462	2.9
111.22477	1.3
113.33357	1.1
116.98608	3.6
116.99463	1.9
120.08088	50.2
122.97557	1.4
127.03887	3.6
134.99687	1.1
140.98593	2.7
145.04915	3.0
158.99673	3.6
163.05780	1.1
168.98138	2.2
174.99231	2.0
176.98956	1.9
186.99153	5.2
192.88968	1.3
195.11246	2.8
205.00139	5.9
230.98126	3.5
235.10809	1.4
248.99222	7.5
253.12076	1.2
254.16078	2.6
268.91019	1.1
270.93948	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	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
56.16246	0.5
56.41238	0.5
56.96562	3.4
57.07047	0.6
59.06926	0.5
62.83843	0.5
69.03414	2.2
70.29284	0.5
70.29622	1.0
70.74944	0.5
73.06538	4.4
81.03394	1.0
81.07014	0.5
85.02889	3.1
88.56443	0.5
91.05435	0.5
97.02863	1.2
98.98452	100.0
99.04424	0.8
100.98860	0.8
109.02874	3.0
116.98617	1.4
116.99495	2.0
120.08067	0.6
127.03896	1.8
127.39042	0.5
134.99617	0.7
143.00206	0.5
154.84256	0.5
158.99646	0.9
174.99216	2.1
176.98904	1.5
186.99052	1.6
205.00146	1.3
230.98000	1.1
247.88322	0.6
248.99159	1.3
253.15378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1431
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03939	1.6
55.01865	3.4
55.05507	6.8
57.23314	1.0
65.03941	1.1
67.05495	12.7
69.03419	3.6
69.07059	4.1
71.04967	6.1
71.44178	1.2
77.03928	1.7
79.05478	27.3
80.05824	1.0
81.03387	1.2
81.07042	52.1
83.04987	5.6
83.08615	2.4
85.06531	3.9
91.05466	14.8
93.07034	43.1
95.04951	14.7
95.08582	14.9
97.06522	15.2
98.98448	26.5
98.99077	1.4
99.04440	8.4
103.05453	1.3
105.04522	2.6
105.07011	28.3
107.04957	6.3
107.08572	20.7
109.06501	31.8
109.10133	3.4
111.04430	2.0
111.08054	6.2
113.06006	4.1
117.07025	3.8
119.04935	2.5
119.08552	18.0
119.09303	1.6
121.06486	100.0
121.10148	2.6
122.06804	2.5
123.04422	5.8
123.08052	5.2
125.05965	3.9
127.07515	13.3
128.06203	2.7
129.06982	5.8
130.07739	1.1
131.08568	4.1
133.06467	2.9
133.10098	8.4
135.04436	5.2
135.08018	10.9
135.11673	1.2
137.05969	4.7
139.07520	17.6
141.05486	3.1
141.06953	1.6
142.07785	3.9
143.08551	9.5
145.06462	1.2
145.10107	5.6
147.08043	4.8
147.11652	25.6
149.09610	1.4
150.60646	1.2
151.07547	2.3
155.08510	2.5
156.09291	2.7
157.06499	1.6
157.08781	2.3
157.10138	14.6
159.08093	1.8
159.76106	1.0
161.05984	1.7
161.09688	2.6
161.13228	14.1
163.14830	1.4
165.07005	2.1
165.12726	4.4
166.07761	4.4
169.06490	1.2
171.08043	1.9
171.11670	19.9
173.09589	3.2
173.13159	1.4
175.11168	14.9
181.10025	5.7
184.08807	2.6
189.12704	21.3
193.12238	16.2
199.11143	33.3
207.13791	11.4
217.12204	76.3
218.12585	2.3
235.07504	1.0
235.13264	27.5
253.12035	2.0
253.14279	13.9
263.24356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75404	0.5
54.62418	0.5
55.00112	0.5
56.96562	100.0
58.06582	0.6
58.62871	0.5
60.04456	0.4
69.03420	0.5
70.06332	1.3
70.84614	0.4
72.87741	0.5
74.97607	0.6
84.96015	3.0
85.02912	2.3
86.09687	0.9
87.69608	0.5
90.46053	0.5
92.74660	0.5
97.02911	0.7
98.97587	9.8
98.98464	6.8
108.95997	2.6
110.07169	0.7
112.99106	1.0
116.98609	5.1
119.01892	0.6
122.97529	8.5
123.05559	0.6
124.99136	1.6
126.96991	2.5
128.98557	0.6
130.93301	3.1
134.99660	2.2
136.06192	0.7
140.98584	23.5
143.00139	5.0
144.98088	1.5
145.05081	0.6
150.97070	1.5
158.99637	29.6
161.01205	9.9
163.06018	0.6
166.02931	0.6
168.04509	0.7
168.98047	12.2
168.99364	0.9
172.94283	4.2
174.99110	0.6
177.00699	6.0
179.02275	2.3
184.94228	0.7
186.99127	61.1
190.95358	4.4
192.96547	0.8
205.00185	52.4
208.96452	1.5
212.04056	0.9
212.97031	7.0
219.04994	0.6
223.01196	4.3
228.01782	0.6
230.98102	36.5
232.10332	0.8
232.96460	1.1
236.09155	1.0
240.52226	1.4
246.97900	0.7
248.99165	75.2
249.99634	1.4
250.97432	0.8
253.99739	1.1
254.10158	0.7
267.00208	14.0
272.00607	1.2
272.95963	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	100.0
69.53328	3.0
85.02969	0.9
98.97552	1.1
104.86523	0.8
108.96017	4.8
122.97543	14.0
124.99130	2.6
126.97050	3.3
140.98575	30.4
143.00134	5.4
150.97050	2.0
158.99643	26.0
161.01218	9.2
168.98035	19.1
168.99361	1.3
177.00690	4.7
179.02306	1.6
186.99117	78.8
187.99538	1.0
188.07042	1.0
194.96043	1.7
205.00169	53.8
210.00809	1.1
212.96968	11.0
212.98622	0.8
223.01283	4.0
224.94691	0.8
230.98083	45.3
248.99150	71.0
253.99757	0.9
258.62042	0.9
267.00284	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22157	1.3
53.03928	2.4
55.01845	4.6
55.05262	1.7
55.05504	30.2
57.03430	57.9
57.07065	9.4
58.82238	1.7
65.03908	3.1
67.05497	91.9
69.07059	29.7
69.17117	9.4
70.06598	7.1
71.01340	6.6
71.04990	10.2
71.08622	2.3
72.90741	1.6
75.25565	1.4
77.03907	1.8
79.05484	82.9
79.32986	1.6
81.03407	12.7
81.07046	48.0
83.04527	2.0
83.04976	26.5
83.08606	7.2
84.02889	1.3
85.06557	8.4
88.07628	8.7
91.04937	2.0
91.05468	30.6
93.07035	88.4
95.04959	13.4
95.08594	12.2
97.06512	26.3
97.10151	16.7
98.98452	29.2
99.04459	2.6
99.08069	3.5
100.98869	2.2
102.09143	6.4
105.04452	3.7
105.07024	8.7
107.04919	3.3
107.08582	54.4
109.06487	1.9
109.10136	10.8
111.08047	2.6
115.05383	2.0
117.06988	11.4
119.08569	10.6
121.06467	3.3
121.10137	12.7
125.09580	4.1
130.07814	1.7
133.10074	5.2
135.08026	6.9
135.11673	100.0
137.09633	2.9
139.07471	1.6
145.10083	16.2
151.11157	1.4
153.12735	3.6
154.97542	1.3
163.07501	1.4
163.11166	12.1
177.40674	1.5
181.12181	16.8
255.15817	55.7
256.16324	2.0
256.26318	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.01869	3.9
55.05504	29.6
55.96972	1.9
57.03429	53.5
57.07078	10.4
58.06570	2.5
62.95031	2.0
65.03959	2.5
67.05497	81.8
69.03435	3.3
69.07057	27.4
69.25999	2.1
70.06577	5.5
70.08593	4.0
71.01354	5.1
71.04980	10.7
71.08620	2.9
79.05482	86.2
81.03419	11.9
81.07044	37.4
83.04973	26.4
83.08602	7.6
83.44265	2.0
85.06538	5.4
86.06059	6.5
88.07625	8.0
91.05466	34.6
93.07035	82.4
95.04955	11.1
95.08595	14.6
97.06522	22.6
97.10152	18.2
97.75388	1.9
98.98449	43.9
99.08081	4.3
100.07616	7.3
101.07934	3.3
102.09164	7.9
105.04494	2.8
105.07049	7.8
107.04977	2.6
107.08577	48.4
108.04498	4.4
109.06498	3.5
109.10125	11.8
111.08067	5.8
111.11709	2.9
117.06997	12.6
119.08566	14.6
121.02871	7.3
121.06524	3.5
121.10126	13.1
125.09579	2.9
129.07011	3.4
131.08598	2.4
133.10114	7.6
135.08090	5.0
135.11673	100.0
136.03897	12.9
137.09589	5.8
143.08569	3.6
145.10115	20.9
153.12688	4.1
155.08479	2.5
157.10127	3.8
162.01822	4.4
163.11176	16.7
171.11690	3.2
173.09624	2.5
179.93782	2.0
181.12195	14.4
199.11166	2.1
209.51999	2.1
227.17749	2.3
254.24712	12.9
255.10167	2.6
255.15588	48.1
255.25075	18.2
256.06024	13.8
256.26370	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	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86500	0.3
56.96561	16.5
68.41563	0.2
70.10790	0.8
71.95258	0.9
75.74689	0.3
91.94814	0.3
95.15880	0.3
96.37930	0.3
98.23515	0.3
98.97574	100.0
112.01481	0.3
116.98611	46.7
130.93265	1.9
134.99646	11.5
140.00148	0.5
140.48413	0.3
148.94308	0.4
153.00645	0.9
172.94347	5.0
190.95380	3.7
198.29317	0.3
199.65102	0.3
208.96405	1.1
214.95291	2.0
232.96425	5.8
250.97499	2.7
256.96414	8.5
274.97485	54.1
275.97818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02615	0.2
54.98645	0.4
56.96557	18.3
57.03398	0.3
58.06576	0.3
58.57448	0.3
59.55896	0.3
61.02914	0.3
71.04954	0.3
71.20494	0.3
71.95258	0.9
72.08138	1.8
72.33668	0.3
73.02884	0.3
85.02888	0.9
86.09695	0.6
97.02858	0.5
98.97565	100.0
99.97989	0.3
101.00893	1.7
104.10720	1.1
109.02828	0.4
116.98602	62.0
119.01899	7.5
124.03884	0.9
128.10698	0.9
130.93266	2.3
134.99634	22.6
137.02945	1.2
140.00137	0.6
145.03297	0.3
148.94345	0.3
153.00652	2.0
154.93300	1.0
157.74077	0.3
158.01212	0.4
163.04460	0.4
169.09735	0.4
172.94316	5.4
177.04160	0.3
182.99808	0.3
185.02997	0.8
190.95360	4.3
195.98625	0.3
203.03998	0.3
208.96408	2.0
213.02376	1.2
214.95329	2.5
230.68190	0.3
231.03374	1.0
232.96400	7.8
240.16968	0.8
250.97441	3.8
251.02319	0.3
256.96387	8.1
257.01205	0.6
257.19638	0.9
257.33118	0.3
260.49777	0.4
261.02966	0.3
274.97455	60.4
275.97809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1282
Annotation	Albonoursin
Peak:m/z	Relative Intensity
50.07364	0.8
54.59203	0.7
55.05500	1.1
56.96552	1.3
59.79137	0.8
61.98442	0.8
65.03935	5.2
67.05478	2.3
71.50788	0.7
73.44249	0.8
82.02931	1.5
83.05013	0.8
91.05430	1.2
92.04999	6.4
94.06541	1.9
95.04971	1.6
98.97567	5.9
106.06570	1.0
116.98627	4.2
120.04425	3.4
122.05990	2.7
128.06236	0.8
130.06519	1.5
131.07268	1.3
136.07587	1.9
144.08064	0.9
145.08858	0.9
147.77097	0.8
154.06505	2.1
154.07744	1.3
156.08168	1.0
158.06107	0.8
158.09584	1.0
159.09149	2.2
160.07562	2.5
160.11124	1.6
168.08084	2.4
169.08861	4.1
170.09625	1.9
171.09149	1.4
171.10423	2.0
172.07532	1.3
172.09908	2.9
173.08434	1.1
173.10742	1.0
182.05902	1.1
183.06775	1.2
183.09216	1.4
184.07620	3.6
184.11194	5.5
185.07124	2.5
185.10695	5.9
186.11482	10.6
186.12869	1.3
187.08594	5.1
188.10646	0.9
189.10318	0.9
194.09709	1.0
194.51733	0.9
196.07875	1.0
197.08316	7.6
199.08583	4.9
199.10234	1.1
200.09337	8.8
201.10193	3.9
201.13869	14.0
211.08707	1.4
211.12259	0.9
212.10706	11.7
213.06583	8.1
213.10164	5.7
214.07404	1.1
214.10622	6.7
227.08145	7.4
228.08842	12.4
229.09811	17.4
229.13319	57.1
230.13690	1.3
239.11783	2.3
240.10179	2.3
241.09712	7.3
242.10454	11.8
257.12830	100.0
258.12991	2.7
274.97592	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	257.128
Annotation	Albonoursin
Peak:m/z	Relative Intensity
56.96550	2.7
60.40126	0.9
65.03934	7.0
67.05489	3.4
79.05502	1.5
80.04989	1.3
81.07043	1.7
82.02940	1.3
82.79872	0.9
84.16355	0.8
85.06519	1.0
91.05489	2.2
92.05000	7.7
93.05796	1.9
93.07009	1.1
94.06567	3.1
95.04964	1.5
95.08570	1.5
98.97564	10.8
105.07037	2.2
106.06521	1.1
110.06043	1.4
116.98623	8.5
117.06937	1.4
119.08514	1.2
120.04469	3.4
122.06026	2.9
128.06218	1.1
129.07025	2.3
130.06561	2.4
131.07301	1.3
131.08502	1.0
131.12201	0.9
132.08133	1.2
134.05977	1.1
134.99658	4.6
135.06770	1.1
142.06499	1.1
143.08490	1.4
144.08058	2.4
145.10118	2.0
146.06015	1.0
154.06483	3.8
154.07660	1.2
155.07339	1.7
156.06981	0.9
156.08089	4.2
157.07471	1.3
157.08766	1.6
157.10083	1.4
158.06039	1.2
158.09648	1.3
159.09132	2.1
159.11618	1.1
160.07526	3.0
161.13210	1.1
162.83836	0.9
163.08722	1.2
167.08623	1.0
168.06805	2.3
168.08052	4.5
169.08852	7.9
169.10114	1.6
170.09560	1.7
171.09169	3.7
171.10466	1.4
172.07613	2.2
172.09969	4.5
172.11203	1.3
173.07007	1.1
173.08374	1.2
174.09090	1.8
181.07622	1.7
182.05946	1.4
182.08246	1.2
183.06754	1.3
183.09157	3.4
184.07620	5.7
184.11180	9.8
185.07080	3.9
185.10713	7.8
186.07773	1.3
186.11501	10.9
187.08647	2.2
196.07596	1.9
196.09956	3.2
197.08351	11.4
197.13138	1.1
198.09277	1.2
199.08594	10.2
200.09381	21.3
201.10223	6.0
201.13852	16.1
211.08662	2.7
211.12326	1.6
212.10678	20.2
213.06613	11.7
213.10152	14.7
214.07259	2.7
214.10767	12.0
218.06654	1.0
224.09454	3.0
226.07381	1.0
227.08119	13.3
228.08849	32.4
228.64308	1.1
229.09750	30.3
229.13310	61.4
239.11801	4.6
239.17841	0.9
240.10228	6.0
240.12311	1.3
241.09691	24.9
242.10469	47.9
243.10643	1.7
256.96390	1.1
257.12827	100.0
257.18753	3.2
258.13196	2.8
274.97467	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	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50091	0.6
53.03943	0.6
53.47325	0.6
55.01859	1.4
57.03428	7.8
59.32013	0.6
67.05495	2.0
69.91159	1.8
75.04459	2.4
79.05476	4.7
81.03380	3.6
81.07047	1.1
85.02903	1.0
91.05467	5.2
93.07005	2.0
94.04168	1.0
95.04939	1.5
95.08591	1.4
98.97578	2.3
103.05449	3.0
103.18988	0.8
105.03356	0.7
105.07015	29.7
107.04932	2.3
109.06439	0.7
109.10124	1.1
115.05466	1.4
115.49084	0.6
116.98628	1.4
119.08569	6.5
121.06498	0.9
122.03619	4.4
133.06471	50.4
134.06856	1.0
135.08029	0.8
137.05954	100.0
137.09525	3.6
138.06303	1.0
142.81961	0.7
147.07994	1.8
163.07501	3.3
165.09090	26.5
175.07533	3.4
177.09074	0.9
181.08578	1.7
183.10132	4.1
186.09210	0.7
203.10651	1.1
209.11670	0.9
221.11748	2.3
239.12787	1.1
257.09216	1.2
257.13809	2.7
274.97406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	7.7
55.05495	1.7
57.07069	4.3
58.06579	1.3
62.06069	2.2
64.25631	0.8
67.05490	2.7
68.05013	5.0
69.07046	1.0
70.06580	4.6
71.04989	6.2
71.06908	1.2
79.05479	3.6
80.05003	1.8
81.07040	2.6
82.06554	1.3
83.03685	1.1
85.10155	1.2
88.07618	2.2
89.07937	1.2
91.05461	1.7
93.06989	1.1
94.06576	1.7
95.05031	0.8
95.07340	1.2
96.04456	0.8
96.08114	1.1
97.02882	1.1
98.23503	1.9
98.97559	1.3
100.69775	0.7
102.09192	1.9
103.09512	1.5
105.07016	1.0
106.06532	6.8
107.07339	0.8
107.08559	0.9
108.08108	10.9
109.05225	1.0
109.10133	1.3
118.06525	3.6
119.20804	0.8
120.08110	3.1
121.08858	2.1
122.06005	13.1
122.09649	1.2
124.07555	1.0
134.09647	3.6
136.07559	15.5
140.07027	0.9
145.48625	0.7
148.11151	1.3
148.92259	0.9
150.12730	2.0
158.03632	1.5
163.13539	2.0
171.04431	16.1
171.05797	1.3
172.05113	1.2
173.92970	0.9
176.14314	14.1
184.20598	1.6
185.24803	0.7
194.15376	1.2
202.21638	12.1
204.13795	3.6
207.25551	0.8
212.11990	5.2
228.83868	0.8
240.11461	100.0
241.11815	2.1
242.40302	0.7
257.26642	14.0
258.12570	10.4
258.19229	1.2
258.27908	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58956	1.4
69.03418	9.9
69.19263	4.8
69.19668	3.7
69.85902	1.4
91.05470	1.6
95.08618	1.8
97.02881	100.0
97.06518	7.9
108.85871	1.4
115.03902	1.7
131.96635	1.5
139.03870	16.1
148.14111	1.3
157.04872	1.9
159.11699	1.5
160.76569	1.4
163.03928	4.7
173.02298	2.2
215.06902	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15073	1.1
53.03925	2.3
53.09212	1.2
55.01861	2.6
56.96554	6.8
57.03430	22.0
59.04988	3.7
63.44143	1.2
63.49611	1.1
65.03942	1.5
65.32677	1.1
65.94038	1.0
67.05491	4.5
67.30582	1.2
68.67120	1.4
69.03420	95.4
70.88962	1.2
71.01337	1.8
71.04990	1.8
72.04498	2.2
73.02908	2.6
75.04453	2.4
79.05485	2.2
81.03407	17.1
83.04956	2.2
84.08126	3.7
85.02894	45.0
86.09692	1.8
87.04457	40.5
91.05430	2.2
95.04958	3.7
95.50144	1.3
97.02880	100.0
98.03220	1.9
98.97572	42.7
99.04440	11.1
100.97158	4.1
100.98022	1.3
101.05987	1.2
103.03901	2.0
105.07014	1.6
109.02862	2.9
111.04415	4.4
113.02357	1.5
115.03103	2.4
115.03915	44.9
115.43818	1.4
116.98608	27.3
118.98203	1.6
121.06467	1.7
123.04402	5.7
125.02374	1.5
127.03885	8.7
133.04951	24.8
134.99631	10.2
135.04370	3.9
138.05481	3.2
139.03804	1.8
143.03387	3.0
145.04909	3.9
149.06042	1.7
151.03889	2.7
154.28476	1.3
161.05978	2.4
163.03886	1.8
165.05437	1.8
169.04948	5.2
185.05960	1.7
199.04056	1.5
211.06024	2.6
213.05455	6.1
229.07225	1.4
231.06458	3.0
234.96010	1.4
241.07109	2.0
258.99738	15.8
259.04211	4.4
259.08105	10.2
259.20337	2.6
261.25119	1.5
276.97641	5.1
277.00781	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	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.12952	1.4
55.01867	3.1
55.05493	2.8
57.03432	23.6
59.04995	4.6
67.05499	4.3
69.03420	100.0
69.66216	3.0
69.66541	2.7
71.04987	2.1
73.02917	1.9
75.04416	1.9
79.05473	2.6
81.03409	17.9
81.07050	2.5
81.81186	1.5
83.01337	2.3
83.04980	3.2
85.02896	44.5
87.04458	37.8
89.56498	1.5
91.05470	3.4
93.07030	1.7
95.04945	5.1
97.02882	98.7
99.04442	15.3
109.02818	2.7
109.06480	1.6
111.04447	4.4
113.02370	2.6
114.09158	3.4
115.03919	38.7
123.04427	10.0
125.02393	3.0
125.75163	1.7
127.03915	8.3
133.04047	2.7
133.04967	25.0
135.04414	2.6
139.03937	1.5
143.03381	2.4
145.04938	6.5
151.03929	3.6
161.04425	1.9
165.05574	2.0
167.07048	2.9
169.04890	7.8
195.06351	1.8
229.07109	1.9
241.07022	3.9
259.08157	11.1
269.96823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01863	2.3
56.05018	2.5
57.03432	21.8
59.04988	4.0
59.83236	1.2
61.02923	1.5
67.05498	4.2
67.87748	1.2
69.03420	95.7
69.73587	3.3
69.87960	1.1
70.06592	2.3
71.01341	3.1
71.04983	1.8
73.02898	1.7
79.05478	4.4
81.03403	15.8
81.07025	4.1
83.04964	4.0
84.08145	1.9
85.02394	2.9
85.02892	43.2
87.04455	41.0
91.05473	1.6
93.07037	2.4
95.01328	1.7
95.04944	5.5
95.08588	1.6
97.02882	100.0
97.06514	1.6
98.09682	2.7
98.22723	1.9
99.04443	14.7
100.00356	1.2
101.02372	1.9
103.03941	2.0
105.03394	2.9
105.07032	1.6
107.04930	2.1
109.02831	2.7
111.04441	3.7
112.04068	1.1
115.03919	37.4
121.06480	3.1
123.04410	6.3
125.02316	1.3
127.03892	8.0
127.86082	1.1
129.05504	1.2
133.04953	26.7
135.04431	2.4
135.07008	1.3
135.38580	1.4
137.05975	4.2
139.03882	4.2
143.03395	2.6
145.04922	4.9
151.03920	2.6
153.05612	1.4
156.10101	1.3
156.77493	1.3
157.08806	1.2
163.03796	2.0
165.05518	1.6
169.04951	5.6
177.05380	1.7
193.04936	1.5
217.09674	1.5
259.07849	8.3
259.10645	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	259.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08764	1.6
53.03952	4.2
55.01866	6.0
55.05506	6.2
56.58826	1.7
57.03426	23.0
59.04994	3.3
61.02918	3.1
67.05499	13.4
69.03416	97.1
69.07050	6.3
70.06590	4.4
71.01340	2.0
71.04980	5.1
73.02892	3.2
79.05469	8.3
81.03407	21.7
81.03842	2.6
81.07047	9.1
83.01306	1.8
83.04967	5.2
84.66973	1.5
85.02394	3.1
85.02891	44.4
85.06525	3.1
87.04452	36.6
91.05465	6.4
93.07038	7.6
94.57114	1.6
95.04954	12.8
95.08594	10.6
97.02878	100.0
97.06535	3.1
97.33860	1.5
99.04424	11.0
104.73598	1.8
105.07031	5.4
107.04913	2.5
107.08576	5.2
109.02853	5.3
109.06516	2.7
109.10139	5.7
111.04423	8.1
115.03909	38.1
116.98670	2.2
117.07005	2.9
119.08546	3.0
121.06474	1.7
121.10108	1.9
123.04377	9.3
125.09628	3.7
127.03908	10.6
133.04938	21.6
133.10114	4.6
137.05920	3.0
139.03857	4.2
141.05478	2.4
145.04953	5.8
147.04376	2.2
147.11754	2.2
149.13303	3.1
151.03850	2.9
153.05379	1.8
154.44800	1.8
163.03841	3.1
165.05495	2.6
169.04901	7.7
181.64366	1.7
189.16365	3.7
195.06274	2.0
199.05978	3.1
210.27959	1.7
211.06001	2.3
223.13243	2.2
224.20070	14.2
240.19611	2.3
241.06856	2.6
241.19797	2.8
242.21155	13.4
259.07690	8.9
259.15274	1.9
259.20901	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	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.2
55.05500	2.3
56.84511	2.2
57.03427	26.5
57.09008	1.7
59.04996	4.0
63.92464	1.8
65.03896	2.4
69.03417	90.4
69.59173	6.2
71.01321	4.1
73.06559	2.5
75.04449	2.2
81.03405	12.7
81.07033	3.0
83.01341	2.7
85.02892	40.7
87.04453	37.3
91.05463	3.1
95.04968	4.6
97.02877	100.0
99.04446	12.3
107.04935	2.2
111.04428	6.1
115.03910	38.5
123.04417	5.4
125.02235	2.7
127.03896	10.0
133.04935	25.7
135.04422	3.9
143.03323	2.4
143.52773	2.0
145.04935	3.6
149.06003	2.1
151.03867	3.6
169.04958	3.6
213.05470	4.8
214.14610	2.3
221.79716	2.0
240.19539	3.8
241.19785	2.9
259.08057	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	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08334	1.0
52.85157	1.1
53.02704	1.3
53.03933	3.4
55.01865	4.4
55.05494	10.9
57.03428	21.5
59.04988	1.9
61.02919	1.5
67.05492	2.8
69.03419	100.0
69.65023	2.2
69.65419	2.3
71.01344	3.6
71.04982	2.6
73.02906	2.0
73.06541	14.7
79.05481	3.5
81.03409	19.5
81.07045	3.3
83.01324	2.1
83.04958	3.4
84.08125	1.5
85.02889	39.1
87.04453	33.9
91.05477	2.7
93.07040	2.0
95.04953	5.4
95.08584	1.6
97.02878	94.3
98.03244	1.2
99.04443	14.9
101.02338	1.2
101.06011	15.6
103.03931	1.2
103.05424	1.4
107.04942	1.3
109.02857	3.5
111.04414	5.7
113.02358	2.2
115.03915	39.1
117.05475	1.8
121.06470	1.7
123.04391	8.5
125.02356	1.5
125.06004	1.9
127.03905	9.1
133.04944	25.9
135.04404	3.4
137.05962	1.8
139.03902	3.7
141.05528	2.7
141.06622	1.5
143.03349	2.6
145.04906	5.4
151.03903	4.2
157.22908	1.3
163.03929	1.3
165.05489	1.9
167.07089	2.8
169.04950	6.4
170.02565	1.1
170.05827	1.6
193.04898	1.5
211.06006	2.4
213.05522	1.1
223.06044	2.2
229.07088	2.2
241.07042	3.2
241.19853	1.5
241.96339	1.1
259.08066	13.6
259.10742	1.7
259.11563	1.6
278.11380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2054
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.28160	2.4
55.05505	13.9
57.07063	4.0
60.35272	2.6
62.10730	2.4
66.09848	2.7
67.05503	12.7
69.06705	3.5
69.07063	46.0
71.04986	26.4
79.05477	9.1
81.07050	20.0
83.04955	4.0
83.08604	9.8
85.06541	23.1
91.05461	13.3
93.07042	16.7
95.08591	22.0
97.06552	8.2
105.07021	36.1
107.08581	24.6
109.06499	8.4
109.10155	20.6
111.08068	16.0
117.07005	11.2
117.63908	2.8
119.08566	65.5
121.10130	17.5
123.08011	2.7
123.11684	27.4
123.59847	2.3
124.18831	2.3
130.07768	3.2
131.08578	22.6
133.10110	44.8
135.08034	10.6
135.11647	6.5
137.09637	3.3
137.13152	3.9
143.08525	12.2
144.09315	3.1
145.10112	44.4
147.08070	3.0
147.11684	27.1
149.13231	3.2
151.50229	2.5
156.09349	6.1
157.10127	16.7
159.11674	35.6
160.12534	3.3
161.13232	44.5
163.11162	5.5
166.68471	2.6
170.10909	4.5
171.11653	18.2
173.13237	14.0
175.11183	4.1
175.14798	100.0
176.15561	4.8
177.12715	3.6
177.16393	2.7
185.13199	17.5
189.12758	5.7
190.13539	4.3
199.14812	3.3
201.16364	28.4
203.14250	8.4
215.17947	6.1
217.19559	3.3
241.19466	18.9
259.20560	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02379	0.5
53.03933	1.3
54.91980	0.4
55.05502	13.2
55.64786	0.4
57.03427	1.1
57.07067	3.6
65.03930	2.0
67.05496	38.5
69.06699	1.0
69.07056	10.7
69.74821	1.4
71.04988	2.0
71.08630	1.3
77.03920	1.6
79.05482	57.8
81.07044	46.9
83.04967	1.1
83.08604	6.8
85.06522	5.1
91.05468	29.3
93.07031	76.1
93.16825	0.4
94.07375	0.5
95.04951	6.1
95.08594	33.2
97.06531	3.3
97.10153	2.1
99.08067	3.9
103.05397	0.6
105.04504	2.4
105.07016	19.1
107.08578	47.5
108.08895	0.6
109.06512	2.6
109.10142	13.2
111.08070	2.7
113.09579	0.9
117.06999	6.3
119.06065	1.0
119.08565	15.7
121.10127	40.6
122.10487	0.5
123.08059	1.6
123.11695	3.9
125.09604	0.9
127.11133	0.5
130.07800	0.6
131.08554	13.9
133.10117	12.6
135.11674	33.2
136.12054	0.5
137.09592	1.3
137.13223	1.5
139.11165	0.7
142.25194	0.4
145.10106	12.9
147.11650	9.6
149.09613	0.6
149.13237	25.6
150.13559	0.6
151.11162	1.3
151.14830	0.9
153.12729	0.9
159.11662	10.3
161.13239	11.0
163.14799	14.3
165.12709	1.4
173.13226	9.6
175.14807	4.4
177.16333	3.4
179.14302	1.1
187.14806	6.3
189.16368	1.2
201.16371	3.0
201.57874	0.5
203.17897	0.8
211.72560	0.5
215.17953	1.5
217.19412	0.5
219.17392	0.7
233.22655	1.1
235.04459	0.4
243.21043	25.3
261.22098	100.0
262.22452	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03923	1.9
54.90026	0.7
54.91132	0.6
55.01843	0.8
55.05251	1.3
55.05501	15.7
57.03417	1.8
57.07068	3.7
65.03928	2.1
67.05495	45.2
69.07058	13.2
71.04976	2.6
71.08604	0.6
77.03896	1.5
79.05480	62.5
80.05807	0.8
81.07044	48.8
83.04952	1.1
83.08605	7.8
85.06523	2.9
91.05466	36.1
93.07028	82.0
94.07343	0.8
95.04952	8.2
95.08588	36.5
95.40702	0.6
97.06512	3.9
97.10159	3.5
98.22710	2.0
99.08070	3.0
105.04491	3.0
105.07012	22.3
107.08577	51.3
109.06503	3.3
109.10135	13.7
111.08071	3.4
113.09624	0.8
117.06988	8.2
119.06068	0.7
119.08556	16.7
121.10126	43.3
123.08061	2.3
123.11651	4.6
125.09629	1.5
130.07857	0.9
131.08549	15.4
133.10101	15.0
135.08044	1.0
135.11668	38.5
137.09541	1.3
137.13185	1.0
139.11151	0.9
145.10100	15.2
147.11659	10.4
149.09653	0.6
149.13228	26.3
151.11154	1.2
153.12762	0.8
159.11665	9.5
161.13228	12.5
163.14796	14.3
165.12666	1.4
165.16295	0.8
173.13208	10.3
175.14775	4.7
177.16364	3.4
179.14261	1.6
187.14809	6.7
189.16302	1.3
201.16327	2.8
215.17831	1.6
217.19382	0.9
219.17406	1.3
233.22591	1.1
243.21037	26.0
244.21512	1.0
261.22089	100.0
262.22446	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	0.5
53.03938	1.4
55.05503	12.1
57.03426	1.8
57.07067	3.5
65.03941	1.7
66.92719	0.4
67.05495	36.9
69.07057	10.6
69.26659	2.4
71.04993	2.3
71.08611	1.0
77.03918	1.9
79.05480	50.7
81.07044	42.9
83.04950	1.2
83.08611	6.8
85.06530	2.8
91.05466	26.9
93.07031	66.5
94.07355	0.8
95.04948	6.0
95.08592	31.9
97.06521	2.9
97.10140	3.0
98.23497	0.8
99.08087	2.8
105.04510	2.0
105.07014	17.8
107.04929	0.8
107.08578	38.2
108.08970	0.4
109.06510	1.8
109.10142	11.0
111.08058	2.3
113.09621	1.0
117.06999	6.8
119.08564	12.8
121.10126	36.8
123.08038	1.4
123.11671	4.4
125.09605	0.6
131.08554	12.7
133.10107	11.5
133.11116	0.5
133.42159	0.4
135.11674	33.6
137.09595	1.5
137.13231	1.0
139.11156	0.8
140.50725	0.4
145.10100	13.8
145.11220	1.0
147.11667	9.9
149.09657	0.5
149.13239	23.8
151.11163	0.9
151.14825	1.0
153.12666	1.3
159.11664	8.9
161.13245	9.9
163.11215	0.6
163.14789	14.9
165.12712	1.3
173.13223	8.7
175.14793	4.2
177.12680	0.8
177.16348	4.0
179.14284	1.7
187.14786	6.0
189.16393	0.9
191.14297	0.6
193.15825	0.6
201.16383	2.9
205.15848	0.8
215.17928	1.8
217.19463	0.8
219.17354	0.5
233.22620	1.4
243.21053	27.2
244.21495	0.6
261.22098	100.0
262.22430	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65149	0.7
53.03936	2.3
55.05251	1.0
55.05503	14.1
57.03422	1.3
57.07071	4.4
65.03919	1.5
65.47010	0.6
67.05495	39.7
69.07056	13.0
69.17683	2.4
69.18082	1.6
71.04970	2.1
71.08621	1.4
73.26366	0.6
77.03918	1.8
79.05482	62.3
80.81055	0.7
81.07047	48.5
83.04957	1.0
83.08606	7.3
83.75582	0.7
85.06532	2.6
85.10141	0.7
91.05469	27.5
93.07032	79.2
94.07368	0.8
95.04963	6.2
95.08592	33.7
97.06510	3.1
97.10152	3.9
98.22752	1.3
98.99190	0.8
99.08070	3.5
105.04499	1.9
105.07015	20.2
107.08578	50.6
109.06473	2.3
109.10139	14.3
111.08064	2.9
113.09625	1.1
117.06984	6.1
119.06092	1.2
119.08566	15.8
120.08051	0.7
121.10128	38.5
123.08026	1.2
123.11692	5.5
130.07770	0.9
131.08545	14.1
133.10106	13.3
135.11679	34.3
137.09604	1.2
137.13210	1.1
145.10114	12.8
147.11658	11.4
149.09616	1.3
149.13239	29.1
150.13692	0.8
151.11160	1.2
151.14743	0.8
153.12733	0.9
159.11667	10.3
161.13214	11.6
161.14500	0.9
163.14807	15.8
165.12810	0.9
173.13228	9.0
175.14799	3.8
177.16364	5.4
179.14340	2.3
187.14783	8.2
189.16400	1.4
201.16373	2.7
205.15839	1.2
217.19514	1.0
219.17467	1.2
229.51001	0.8
233.22560	1.3
243.21057	29.0
261.22101	100.0
262.22458	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	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05024	0.4
56.81544	0.2
57.07071	5.9
58.06604	1.4
60.04516	0.2
63.33945	0.2
63.82406	0.2
67.05505	0.5
68.05010	0.4
69.07055	0.5
69.11913	0.5
69.12307	1.2
70.06585	16.7
71.08627	4.7
79.05443	0.3
81.07072	0.3
84.08143	1.2
86.06082	0.4
86.09681	0.7
88.07622	16.6
91.05495	0.3
93.07004	0.2
96.62637	0.2
102.09174	1.2
106.08664	1.9
108.76999	0.3
109.10158	0.2
112.07600	0.3
114.09164	6.2
117.06992	0.2
118.08631	1.9
119.08583	0.3
120.08092	0.4
123.51868	0.2
130.08611	0.4
132.10188	22.0
139.56561	0.3
149.49431	0.2
150.11238	18.7
173.13432	0.2
174.18559	0.3
182.11136	0.2
186.18562	1.4
200.20012	1.1
216.19547	0.2
218.21135	6.0
219.07828	0.7
221.08028	0.3
244.22627	0.4
247.07523	0.7
248.08226	0.4
261.09119	0.4
262.09860	0.9
262.23737	100.0
263.06921	0.3
263.10480	1.1
263.16656	0.3
263.24039	2.7
263.81119	0.2
276.52454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2374
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05509	0.3
57.07067	6.4
58.06591	1.6
65.17953	0.2
69.07066	0.2
69.24243	0.4
69.24641	0.6
70.01258	0.2
70.06583	19.1
71.08622	4.5
72.08147	0.4
84.08107	0.3
86.06086	0.2
86.09695	0.2
88.07618	26.9
95.15730	0.2
102.09164	16.1
104.55862	0.2
132.10168	0.7
146.11737	0.7
149.78621	0.2
150.11205	0.4
156.17441	1.4
170.14783	0.2
174.18533	0.3
200.20067	52.1
201.20421	1.4
238.99992	0.2
244.22687	3.6
262.23727	100.0
263.24042	3.5
266.23001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2374
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05502	19.2
55.24660	1.2
56.05010	3.4
57.03420	5.4
57.07063	3.8
57.70817	1.3
58.06596	7.4
67.05495	47.2
67.82707	1.3
69.07053	20.9
70.06582	30.7
70.82586	1.7
71.04971	1.9
71.32178	1.4
71.39439	1.2
79.05476	20.7
81.07047	47.0
82.06577	1.9
83.04945	1.5
83.08612	11.4
84.08132	5.3
85.02921	1.5
85.06521	8.6
91.05471	4.7
93.06445	1.9
93.07027	29.7
95.08591	54.2
96.08117	2.3
97.10136	4.1
98.09676	4.0
99.08080	2.5
103.43417	1.3
105.07034	1.6
107.08582	19.4
109.10135	32.0
110.09659	2.7
111.11711	1.6
112.11224	5.0
113.09612	2.1
121.10111	15.9
123.11701	3.8
124.11158	1.6
126.12709	1.7
135.11678	20.7
138.12784	1.4
141.81471	1.3
142.04973	2.2
149.13232	7.7
191.17896	9.6
202.53563	1.4
208.20557	47.7
209.18977	10.6
226.21622	100.0
226.49901	1.7
227.21912	3.3
244.22690	77.7
245.22900	3.1
262.14417	6.5
262.23740	57.9
267.79913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05507	17.7
56.05020	3.3
57.03423	4.4
57.07055	3.0
58.06595	8.0
60.14580	0.9
67.05494	44.1
69.07061	20.3
69.12008	5.2
69.12415	2.1
70.06583	31.5
71.04978	1.8
71.08612	1.4
79.05483	18.9
81.07045	48.5
83.08611	9.6
84.08121	5.5
85.06537	7.5
91.05480	3.0
93.07034	30.6
95.04944	1.4
95.08594	53.8
96.08119	2.1
97.06512	3.2
97.10137	5.1
98.09686	3.2
98.23479	2.0
99.08080	3.9
107.08590	19.7
109.10146	33.5
110.09659	2.0
111.11681	1.4
111.36211	0.9
112.11223	5.0
113.09660	1.2
121.02779	1.0
121.10135	13.0
123.11681	4.0
126.12746	1.9
135.11673	22.8
138.12756	1.2
149.13237	10.0
166.15898	2.0
182.18967	1.5
191.17937	12.1
208.20575	48.1
209.19031	11.0
209.20857	2.1
218.11807	1.3
226.21626	100.0
227.21970	3.6
244.22687	68.4
245.23026	2.5
262.14267	5.5
262.23746	49.0
263.24109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	13.2
60.26701	8.8
70.55494	20.3
77.57896	9.1
98.97558	24.0
101.00871	24.2
113.00844	12.4
119.01911	37.8
127.18507	9.9
131.01912	21.1
143.01924	42.1
161.02943	100.0
173.02985	20.6
191.04106	15.9
203.04015	18.9
263.01669	29.5
263.05490	39.5
282.19376	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	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	7.9
69.79961	10.5
69.80309	19.3
80.89811	6.0
96.37682	7.8
98.22689	6.6
98.97574	20.5
101.00861	27.4
113.80207	6.5
116.98560	11.4
119.01897	33.1
131.01868	18.9
137.02972	7.4
138.27872	6.0
143.01859	65.9
155.01912	9.4
161.02948	100.0
173.02939	27.2
174.91818	6.4
185.04295	7.1
191.03999	19.5
203.03975	22.5
219.01768	7.3
240.02005	7.7
263.01639	23.0
263.05499	30.9
266.61984	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	263.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93880	25.8
70.20924	26.8
70.71003	47.0
75.86127	36.0
79.64944	27.4
98.97562	37.7
119.01917	36.1
157.69687	35.6
173.95900	28.8
180.86572	32.1
263.05237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53795	0.5
56.96553	0.5
58.99904	0.6
69.91652	1.1
70.99846	0.5
76.28880	0.4
77.00903	1.1
82.99871	1.8
84.00643	0.6
86.99339	0.8
89.00915	0.8
101.00865	28.7
102.96905	0.7
109.02874	0.6
112.89591	12.7
112.90326	0.9
113.00843	4.0
114.89337	7.2
119.01902	38.4
120.01983	1.2
120.97866	0.7
121.99662	0.5
127.02456	0.6
131.01897	10.3
137.02928	3.2
139.02391	1.5
142.03447	0.8
143.01878	45.1
144.02037	1.0
145.03445	2.5
149.02939	0.7
155.01843	4.0
157.03468	5.3
159.01381	0.6
161.02936	100.0
162.03130	2.9
173.02948	11.4
175.04509	1.1
179.03998	2.1
184.04572	1.2
185.02927	4.5
187.04388	0.7
191.03970	8.5
203.03983	23.4
204.04135	1.0
215.39273	0.5
221.05054	5.1
239.06058	2.7
239.98402	2.4
240.98090	0.6
245.04919	1.0
253.45474	0.6
263.03113	1.3
263.06030	35.7
264.06201	1.3
281.07327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91537	0.8
60.14244	0.9
70.04280	2.2
70.99833	1.3
79.47876	0.9
82.99841	3.8
89.00869	1.7
98.22707	1.0
98.97560	1.1
101.00868	31.2
102.00946	1.0
102.96856	1.6
112.89603	14.9
113.00842	2.4
114.89318	10.9
119.01910	40.1
120.01960	2.2
131.01894	7.4
135.49403	0.9
137.02907	3.2
139.02351	1.1
143.01894	49.9
143.89520	0.8
144.01970	1.3
145.03415	2.5
155.01859	2.5
157.03470	5.8
161.02945	100.0
162.03026	3.4
167.01840	1.0
173.02937	8.4
175.04474	1.0
179.03947	1.8
184.04460	1.0
185.02919	3.4
187.04515	1.1
191.04051	5.9
203.02112	1.8
203.03973	29.6
221.05040	8.3
239.06082	4.9
239.98418	3.6
263.03091	2.6
263.06052	50.2
264.06436	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0911
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03950	3.6
54.99688	2.2
55.01867	13.1
55.05493	3.3
57.03440	2.0
65.50072	2.1
67.01865	2.6
67.05485	2.6
69.03432	7.2
71.06367	3.1
76.34530	1.8
77.03935	2.6
79.05482	6.5
81.03412	42.5
81.07056	5.4
83.08611	3.5
85.02894	76.6
86.09697	3.6
86.68719	2.2
91.05453	17.7
93.07037	3.8
95.04972	5.5
95.08594	2.0
97.02885	37.2
99.04451	4.3
101.06018	2.7
103.05450	16.1
104.99260	13.0
105.07018	15.0
107.04948	7.1
109.02850	4.2
111.04416	18.4
115.05441	18.3
117.06989	9.1
119.01892	3.3
119.04927	10.7
119.08581	4.3
121.06499	7.8
121.10098	2.1
123.04418	44.1
127.03838	4.1
128.06204	35.7
129.06990	40.7
131.04910	27.9
131.08586	11.2
133.06500	8.4
135.04388	12.2
136.05214	4.1
137.05962	90.4
139.05368	3.6
141.06973	19.9
143.04924	7.4
143.08557	26.4
144.05707	3.9
145.06514	15.9
146.05998	2.0
146.07146	3.2
147.04387	50.9
147.08069	6.2
148.05167	4.3
149.05972	35.5
151.07475	10.1
152.06194	8.1
153.06967	28.9
155.06039	5.0
156.05667	3.7
157.06487	33.0
159.04346	4.1
159.08047	12.5
160.05179	10.9
161.01743	1.9
161.02895	9.0
161.05965	29.3
161.09589	3.4
163.03902	21.1
163.07542	3.6
165.05469	35.2
167.07039	19.5
169.06444	11.8
171.08028	26.5
173.02876	3.5
173.05977	25.8
174.06740	16.0
175.03996	2.8
175.07526	66.1
176.04674	2.6
177.05444	20.7
177.09074	6.0
179.07104	3.1
181.04941	2.8
181.06441	30.2
184.05188	7.9
185.05928	18.9
187.07491	27.3
189.05417	17.8
189.09074	16.4
191.06981	9.6
197.05980	6.2
199.07513	52.4
201.05458	6.9
202.06215	3.4
203.06976	27.6
205.08594	35.2
209.05936	5.6
215.07018	8.4
217.08549	34.7
219.06604	2.0
227.06996	36.9
233.08025	10.8
245.08052	100.0
245.12668	3.6
246.08521	2.8
263.06308	4.7
263.09119	56.3
263.14041	5.8
264.09473	2.4
264.15909	2.7
268.77792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03924	1.9
55.01855	1.7
55.05500	16.7
57.03429	1.1
57.06798	1.4
57.07063	11.2
58.95942	0.8
65.03919	3.4
67.05492	89.4
68.05830	0.9
69.06711	1.3
69.07056	19.3
71.04973	2.5
71.08625	4.9
79.05036	1.4
79.05477	21.5
81.07041	100.0
82.07355	1.1
83.04965	1.1
83.08611	11.9
83.11046	0.8
85.06529	3.9
85.10162	3.3
91.04934	1.3
91.05463	17.3
93.07026	22.9
95.04958	4.0
95.08588	81.4
96.08923	1.7
97.06506	6.6
97.10142	6.5
98.23443	3.4
99.08081	6.8
104.99240	15.7
105.07008	11.5
107.08571	14.0
109.06506	2.1
109.10130	39.3
110.54307	0.9
111.08060	5.8
111.11690	1.3
113.09612	2.4
119.08566	12.0
121.10111	14.4
123.08018	2.0
123.11685	18.1
127.11169	1.7
131.08488	1.4
133.10115	14.0
134.89641	0.9
135.11668	9.9
137.09558	2.3
137.13231	7.8
141.12720	1.8
147.11667	9.1
149.13222	8.3
151.14828	6.6
155.14267	1.2
159.11615	0.9
161.09496	0.8
161.13243	10.3
163.14841	7.3
165.12790	1.0
165.16354	9.1
175.14815	6.6
177.16338	2.2
179.17906	3.3
181.15823	1.7
182.57129	0.9
189.16370	2.6
203.17802	1.3
211.38611	1.0
217.19580	1.2
245.22607	25.1
246.22984	1.0
250.26389	1.1
262.74466	1.0
263.23651	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	2.0
55.05507	19.0
57.07067	10.2
60.26225	1.4
60.86266	1.7
65.03925	2.2
66.98203	1.7
67.05496	92.3
69.07059	20.0
71.05000	2.8
71.08633	6.9
76.08390	1.3
76.82610	1.4
79.05484	26.0
81.07047	100.0
82.07355	1.9
83.04974	3.9
83.08608	16.3
85.06531	5.2
85.10149	2.7
90.07970	1.5
91.05470	17.6
93.07033	25.3
95.04961	3.6
95.08595	90.0
97.06514	8.6
97.10150	5.0
98.23428	5.0
99.08062	5.6
104.99255	55.2
105.07017	12.2
107.08580	17.6
107.77190	1.5
109.06512	2.7
109.10138	44.0
109.10882	2.5
111.08086	4.1
113.09621	4.8
117.07018	1.7
119.08595	11.4
121.10132	17.0
123.08093	2.1
123.11700	24.1
127.11189	1.7
133.10106	12.4
135.11661	10.8
137.09633	3.2
137.13225	6.6
142.07799	1.6
147.08057	2.8
147.11659	8.7
149.13229	8.2
151.11197	2.2
151.14804	4.8
157.09985	1.9
161.13280	8.4
163.14807	7.4
165.16389	6.8
167.14240	1.9
175.14792	6.5
179.17970	2.2
189.16330	3.7
193.10037	1.7
199.23889	1.6
203.17961	2.1
207.11629	2.1
233.13208	1.9
245.15607	1.7
245.22661	26.8
263.16406	5.0
263.23679	71.8
264.23999	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77920	0.5
56.96558	100.0
58.06591	2.1
67.98186	0.5
69.28217	2.0
71.95278	0.9
72.96035	1.1
74.97626	1.3
77.97035	0.4
83.97636	1.5
97.25313	0.5
97.99179	0.7
98.97571	15.7
100.20519	0.5
115.05418	0.5
116.98600	6.3
134.99626	2.4
144.96835	1.3
145.39624	0.5
149.02776	1.1
163.00639	0.7
165.02252	2.0
167.03818	1.1
175.07439	0.8
176.02283	1.1
176.03810	20.1
178.05376	32.8
181.01744	0.7
183.03238	4.9
186.02338	0.8
190.01781	0.8
192.03268	1.8
194.04895	5.5
196.06425	17.1
201.04361	3.1
204.03268	10.1
208.02814	3.5
218.08180	0.5
219.03346	0.8
222.04346	71.6
223.04749	1.9
226.03839	1.3
240.05402	52.9
241.05643	1.4
245.05849	1.3
264.05414	15.0
264.12152	2.3
282.06522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1067
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03947	1.2
55.01870	9.7
55.05465	1.4
56.96571	2.0
58.30131	1.2
60.24344	1.1
61.02917	3.5
61.20528	1.3
67.05498	5.0
68.99782	1.9
69.03422	6.7
70.65707	1.6
71.01351	2.2
72.08152	14.1
73.02905	3.3
77.03948	1.4
79.05495	5.2
81.03413	2.9
81.07049	4.6
81.13190	1.0
85.02908	2.8
91.05462	17.2
93.07038	5.2
95.04964	4.2
95.08616	6.8
97.02885	41.5
103.03953	3.0
103.05454	10.2
105.03372	6.4
105.07009	14.1
107.04958	5.3
107.08532	1.1
109.02879	4.8
109.06493	2.2
109.10159	3.2
115.05430	12.8
116.06235	4.6
117.03359	2.3
117.07008	10.0
119.08569	6.1
120.08092	98.2
121.02859	1.4
121.06498	19.3
121.08427	1.7
122.07130	2.4
128.06206	29.1
129.06987	25.8
129.75417	1.2
131.04927	7.1
131.08546	19.2
132.05721	2.5
133.06471	29.1
133.07491	1.6
133.10179	1.2
134.03598	1.8
141.06975	16.3
143.08565	10.8
144.05656	13.6
145.02817	7.4
145.06453	20.3
147.04398	3.1
147.08015	13.5
149.05969	2.4
151.07518	95.2
152.06198	1.9
152.07915	1.3
153.06981	9.3
154.07826	2.3
155.06018	4.0
155.08533	16.0
157.05458	0.8
157.06474	37.0
158.07243	12.9
159.08035	50.8
160.08388	1.7
161.05937	3.0
161.09628	3.5
162.09067	2.8
163.07545	2.8
165.05481	7.2
165.07004	5.0
168.05754	3.3
169.06401	8.6
169.07718	2.4
171.04391	6.1
171.08037	34.7
173.05922	4.1
173.09579	3.8
174.06746	1.6
175.07523	68.3
177.05475	9.6
177.09100	1.7
179.07069	1.4
181.06384	5.5
183.08023	13.1
185.05930	15.2
186.06754	6.7
187.07529	45.9
189.09119	5.2
193.06512	1.6
199.07524	29.4
201.09088	16.1
203.06984	7.1
203.10478	1.3
205.08510	10.3
211.07481	6.8
217.08568	100.0
218.09033	2.3
219.14941	1.9
229.08565	48.7
230.08943	1.5
235.09619	70.8
236.09828	1.8
247.09624	49.6
248.09932	1.5
248.12686	1.6
265.10614	19.9
265.15268	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	265.1067
Annotation	Engelharolide
Peak:m/z	Relative Intensity
54.70777	2.2
56.46741	1.7
58.28028	1.7
63.02098	2.5
67.05492	2.5
71.61852	1.9
79.05450	2.3
81.03393	5.6
81.07014	3.1
91.05460	6.4
93.07034	2.3
98.22731	5.2
103.05466	2.2
105.06999	2.6
108.80937	1.7
109.02829	7.6
115.05433	19.9
117.06998	32.4
121.10031	2.3
128.06187	3.5
129.06960	4.3
131.04822	2.3
131.08533	2.6
135.41626	2.1
144.05684	3.4
145.06464	54.5
147.08017	3.4
155.04797	2.7
155.05975	12.7
156.05644	12.8
157.06421	5.1
158.07185	2.4
159.07976	5.5
161.05931	4.7
167.06996	2.7
173.05956	69.7
175.03789	2.6
175.07484	4.1
179.08492	2.0
181.04858	3.4
187.07491	7.7
188.63612	1.9
190.06241	31.4
191.06752	2.5
191.08406	3.0
194.07303	3.0
202.06108	2.5
203.06996	10.0
204.08032	3.4
205.06619	4.0
205.08560	58.4
206.08882	2.7
216.07959	2.5
217.06616	3.1
217.08557	35.6
219.10037	3.6
222.06741	5.6
222.09064	24.7
233.08270	5.2
235.09552	4.9
236.10518	5.6
237.09106	5.1
247.09628	4.6
248.10661	3.8
249.07722	5.2
250.08539	17.3
254.18674	2.2
264.10138	21.9
265.08383	13.5
265.10873	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1431
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
51.56576	3.5
51.95173	3.3
53.03941	5.7
54.19458	3.2
55.01871	6.0
55.05500	16.5
65.03932	8.2
67.05504	25.6
68.09394	4.2
69.03423	41.7
69.07056	6.3
71.04988	9.4
71.23956	4.7
77.03909	4.7
79.05486	30.5
79.95960	3.8
81.03409	4.9
81.07047	24.4
83.04969	12.8
84.08150	7.4
91.05471	60.8
93.03392	8.0
93.07024	50.9
93.99281	4.4
95.04958	61.4
95.08595	21.9
97.06513	8.9
99.04444	5.9
103.05428	6.2
105.03382	56.2
105.07017	80.8
107.08591	17.9
109.02863	8.1
109.06498	30.9
109.10135	7.8
111.04430	33.3
111.08082	7.6
113.02348	4.5
113.06008	16.3
115.05439	6.6
116.06199	4.7
117.03377	7.6
117.07011	23.6
119.08562	100.0
120.08107	11.8
121.02865	20.4
121.06487	57.6
121.10133	13.6
123.04411	4.5
123.08041	31.9
125.05946	4.6
126.09169	6.0
128.06238	11.6
129.06993	23.9
130.07748	12.0
131.04865	4.6
131.08540	46.4
133.06490	12.8
133.10123	28.4
134.05991	4.7
135.08035	97.0
137.05927	4.9
137.09604	14.6
139.03897	17.8
139.07541	11.5
141.06973	9.6
142.07765	16.1
143.08543	21.2
144.05676	7.2
144.09285	7.6
145.02843	20.6
145.06477	12.8
145.10086	36.6
146.07233	5.1
147.08008	51.3
147.11682	11.2
149.05962	6.8
149.09616	14.3
151.07442	8.4
155.08545	11.0
156.09299	12.2
157.06462	5.4
157.10126	26.6
158.07228	25.6
158.10939	6.9
159.08034	45.4
159.11674	47.4
160.08812	6.5
161.09573	51.1
161.13234	4.7
162.09113	43.4
163.07510	7.5
165.09117	33.5
167.08478	4.3
168.09308	10.3
171.08052	8.6
171.11676	10.6
172.08829	23.0
173.09590	26.7
173.13210	26.1
175.07520	92.1
175.08896	7.6
175.11137	42.4
177.05424	29.0
177.09029	4.2
183.11688	13.2
185.09616	7.5
186.10413	7.2
187.11139	54.6
189.09071	12.6
189.12668	17.2
193.08562	30.2
196.08830	12.3
199.11143	14.9
201.12747	42.6
203.10663	51.4
205.12260	11.0
207.10217	5.4
211.11089	20.0
217.12181	30.4
219.13805	9.5
229.12160	25.5
235.13248	7.8
247.13197	58.9
265.08612	5.6
265.14240	58.5
265.18240	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Vaccinine A
Peak:m/z	Relative Intensity
51.02377	0.3
55.05502	0.4
65.07545	0.4
69.48766	1.2
70.06587	0.5
72.08137	0.6
77.03897	1.7
81.03429	0.4
84.08123	3.7
85.19352	0.4
87.04446	0.6
91.05470	0.5
95.04977	2.2
96.01078	0.3
98.06029	2.5
100.78268	0.3
103.05463	0.8
105.03377	100.0
106.03717	1.9
109.02837	0.6
120.08072	3.4
120.14148	0.3
121.06489	2.7
125.10728	8.2
126.09135	8.8
126.10066	0.5
128.76038	0.3
134.06013	5.9
144.10184	1.3
145.02800	0.4
162.09119	89.7
163.09485	1.9
175.07558	0.5
176.10689	4.2
177.05388	1.1
181.60323	0.4
205.13356	3.2
247.14418	5.2
248.09119	0.6
248.12874	1.0
256.86145	0.4
265.15445	39.0
266.15793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
52.48389	0.6
53.03927	1.3
55.01860	5.2
55.05503	9.0
57.03435	1.2
57.07054	2.1
65.03936	2.6
67.05496	33.1
69.03418	1.1
69.07056	23.0
69.57054	2.4
70.75195	0.6
71.04977	5.1
77.03899	1.1
79.05482	23.6
81.03401	2.3
81.07045	35.9
83.04970	8.3
83.08616	2.8
85.06522	2.2
91.05466	21.1
91.06038	1.0
93.07032	26.8
95.04956	12.9
95.08591	22.8
97.06508	5.6
97.10181	0.7
99.04445	0.9
99.08086	1.4
101.05998	0.6
103.05453	0.8
105.07016	25.9
106.07333	0.7
107.04948	10.2
107.08581	20.1
109.02874	1.0
109.06506	12.7
109.10148	12.6
110.07300	0.8
111.08044	1.6
113.05946	0.5
115.05440	0.7
117.07001	9.2
119.08565	15.5
121.06490	10.3
121.10127	15.0
122.07127	0.9
122.10421	0.5
123.04398	0.7
123.08070	5.6
123.11716	3.5
125.05914	0.9
125.09575	1.1
128.06194	0.8
129.06992	4.6
130.07788	1.3
131.08548	21.1
133.06483	1.6
133.10112	12.4
135.08031	6.0
135.11674	10.3
137.05937	0.6
137.09596	2.9
137.13210	1.2
141.07022	1.0
142.69281	0.6
143.08566	3.7
145.06445	2.3
145.10106	27.3
147.08020	4.9
147.11671	5.4
149.05914	0.9
149.09592	27.0
149.13252	2.3
151.07378	0.6
151.11156	5.4
153.06999	0.6
155.08560	2.9
157.10094	1.0
159.08032	1.2
159.11670	7.2
161.09586	2.2
161.13229	2.7
163.11153	28.5
167.10638	1.0
169.10104	3.6
171.11671	1.7
173.09589	6.6
173.13190	2.6
175.11159	1.6
175.14822	0.9
177.09111	0.9
177.12695	4.5
177.16324	1.8
179.10637	5.9
183.11754	1.0
185.13235	2.9
187.11171	5.0
187.14809	4.2
189.12706	1.5
191.08952	1.0
191.10625	9.1
191.14279	1.1
191.17963	0.6
193.12186	0.9
195.13753	0.7
201.12700	0.9
201.16351	8.7
203.14325	1.7
205.12212	3.6
205.15814	1.2
207.13766	3.8
209.11696	6.9
211.14786	3.9
219.17404	17.2
223.13176	2.7
229.15836	9.5
237.18298	1.0
247.16891	36.0
248.17276	1.1
265.17950	100.0
266.18201	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
52.53747	0.8
53.03932	2.4
55.01859	2.2
55.05503	66.6
57.03418	3.7
57.07069	24.6
57.23797	0.9
65.03938	1.9
67.05495	61.5
69.07059	84.3
70.49140	2.0
70.70383	0.8
71.04978	4.3
71.08622	16.0
73.06553	0.9
77.03867	1.2
77.61001	0.8
79.05480	35.1
80.05759	0.9
81.07046	70.6
83.04966	2.3
83.08606	60.4
85.06524	6.3
85.10174	6.4
91.05454	4.7
93.06152	1.1
93.07034	42.4
95.04955	2.5
95.08593	69.6
97.06516	20.0
97.10152	39.4
99.08076	3.2
105.07015	1.7
107.08578	26.0
109.06492	1.3
109.10137	31.5
110.77351	0.9
111.08064	13.3
111.11703	12.5
113.09599	1.5
119.08575	0.8
121.10129	51.7
122.07160	1.3
122.10464	0.9
123.11684	12.0
125.09583	5.4
125.13247	3.2
135.11674	41.5
137.13242	5.4
139.11162	4.0
140.54674	0.9
141.12723	1.3
143.14294	1.5
149.13229	17.0
151.14795	7.1
153.12704	2.0
163.14824	7.1
165.16394	5.9
169.15825	2.1
177.16412	2.6
191.17975	2.0
201.67743	0.8
205.19429	1.7
210.70944	1.1
247.16907	1.3
247.21596	2.0
247.24179	41.1
265.25226	100.0
266.25473	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	267.1588
Annotation	Grangolide
Peak:m/z	Relative Intensity
50.68943	2.4
53.03931	6.2
55.01853	8.1
55.05490	9.9
57.03420	14.7
59.04988	3.1
61.02922	36.1
65.03914	3.9
65.21135	2.8
65.27975	2.5
66.40861	2.8
67.01393	2.2
67.05497	42.4
69.03065	3.1
69.03423	48.9
69.07056	11.4
69.36631	11.0
71.04959	4.7
73.02910	5.9
75.24837	3.0
79.05475	28.2
79.76071	2.4
81.03399	28.5
81.07047	51.2
83.04980	15.4
83.08626	2.8
85.02887	26.0
85.06518	4.1
87.04466	19.1
87.87182	2.5
91.03950	17.9
91.05467	34.4
93.07031	59.0
94.05274	2.3
95.04961	28.5
95.08598	37.6
97.02883	47.6
97.06522	7.5
98.23429	5.5
99.04448	3.6
101.02350	2.6
105.03374	4.2
105.07014	68.0
107.04935	10.2
107.08578	45.0
109.02865	9.3
109.06510	15.4
109.10141	40.8
110.03213	9.1
111.04419	13.2
111.08045	2.9
115.03941	19.1
115.05412	3.2
117.06976	17.1
119.08577	39.3
121.06485	8.5
121.10130	87.7
123.04369	4.9
123.08038	7.4
123.11706	8.8
125.05962	3.9
128.06215	3.4
129.06950	8.9
131.08557	19.9
133.04919	10.5
133.06528	6.1
133.07599	3.3
133.10120	59.6
135.08023	9.8
135.11674	31.7
137.05923	4.8
137.09584	12.5
142.07794	6.1
143.08575	15.3
144.09309	4.2
145.06412	3.9
145.10112	20.3
147.08031	9.3
147.11673	33.4
149.09593	5.9
149.13228	16.4
151.11154	4.8
153.09161	3.2
155.08527	5.1
157.10121	16.3
159.06567	3.9
159.07962	3.7
159.11700	21.4
161.09634	6.3
165.09026	3.6
165.12744	6.4
170.10950	3.2
171.11577	3.3
173.08163	3.8
173.09578	8.4
173.13222	5.7
175.11121	20.3
177.12709	47.0
183.11678	4.8
185.09715	2.8
185.13264	7.2
193.12151	4.5
201.12872	12.4
203.14236	6.7
213.12704	4.6
219.13786	22.5
231.13771	18.4
248.90161	2.9
249.14859	22.1
263.70987	2.9
267.10062	5.7
267.15869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73823	1.2
56.96558	91.8
69.95094	2.9
70.98112	56.8
74.97594	1.6
85.02899	2.0
88.99142	12.7
89.06020	2.0
98.97581	2.5
107.00179	3.3
108.95988	1.6
110.97536	1.0
121.45627	1.1
122.97552	4.4
124.99105	3.5
126.97013	2.1
128.98659	1.1
136.06166	100.0
136.99103	1.5
138.05466	1.3
140.98564	10.2
143.00150	4.7
144.98073	1.3
147.49185	1.0
150.96960	1.4
151.06264	1.0
155.00131	44.9
157.01730	3.7
158.99664	12.1
161.01251	4.9
164.07088	1.3
168.98015	7.8
173.01198	65.2
174.01524	1.1
175.02771	7.4
177.00735	3.1
177.07831	1.4
182.99672	10.1
186.99126	27.4
191.02190	8.8
193.03853	1.8
201.00682	25.8
204.10194	1.7
205.00175	18.1
206.11729	9.6
210.00656	1.3
212.97102	1.9
219.01738	37.7
221.02235	1.3
226.98570	5.5
230.98251	2.1
232.09749	2.3
237.02802	12.8
244.99667	49.2
248.99113	4.5
250.10730	3.7
263.00702	96.0
264.00977	1.6
268.01279	1.4
268.11649	9.2
268.14801	1.7
281.01727	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	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01851	0.3
55.38189	0.1
56.96559	1.7
57.03421	0.5
61.02945	0.1
69.03429	0.2
70.98109	1.4
71.05719	0.2
73.02911	0.4
83.81983	0.1
85.02868	0.2
88.99176	0.3
89.47461	0.1
94.04043	0.6
98.97565	0.3
105.48223	0.2
110.07175	0.1
115.03889	0.2
116.98603	0.2
119.03537	0.8
133.04974	0.2
136.06161	100.0
137.04584	0.3
137.06583	1.0
140.98615	0.2
155.00104	0.9
168.98116	0.2
173.01178	1.0
182.99609	0.2
186.99091	0.4
201.00708	0.5
205.00275	0.2
206.11510	0.1
218.47333	0.1
219.01685	0.6
244.99611	0.8
263.00714	1.6
268.10345	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	268.139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	45.3
58.06585	5.4
70.98122	8.0
71.04985	54.4
71.43704	2.9
81.04536	2.8
84.08115	3.0
84.82291	2.5
85.02898	8.1
88.99075	2.4
89.06023	100.0
97.02872	5.3
98.97574	47.8
98.98157	4.1
107.64529	2.6
110.07169	3.0
110.97570	8.7
114.62151	2.6
116.98608	26.7
118.92040	3.0
119.01936	2.9
120.20527	2.4
122.07145	4.7
124.43798	2.5
128.98607	10.2
130.93307	7.1
132.46574	2.4
134.99666	13.6
136.06175	83.7
136.93114	4.5
146.99677	5.6
151.06259	4.0
154.94202	9.1
155.00195	6.6
164.07077	7.0
168.98143	2.3
172.95476	13.3
173.01210	12.2
176.07098	2.6
177.00850	2.6
177.07841	6.3
179.00684	8.2
179.02287	2.4
186.09142	3.2
186.99092	4.0
190.95174	4.7
190.96475	5.3
191.02168	2.7
201.00771	5.1
204.10152	4.8
206.06888	3.0
206.11728	25.6
208.02740	2.9
219.01785	5.6
221.01768	7.5
232.09892	4.0
232.96429	8.4
234.78365	3.1
244.99677	4.1
250.10776	12.2
250.14410	4.0
258.99771	3.5
263.00568	9.3
263.02924	28.2
268.07050	3.4
268.11752	37.6
268.15524	9.9
268.94153	2.9
272.95877	2.9
277.01031	2.8
286.03525	4.2
286.97397	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	269.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.0
57.07077	5.2
67.05495	21.4
69.03419	5.1
69.07061	9.8
70.23499	7.9
70.23811	5.9
71.04992	24.5
77.20222	5.6
79.05480	27.3
79.93197	5.5
81.03368	5.9
81.07047	36.3
83.04977	25.5
85.06527	5.2
91.05477	39.6
93.07048	44.2
95.04943	15.7
95.08613	24.8
97.06508	7.7
99.04426	35.8
105.07014	62.0
107.04950	14.6
107.08562	32.0
109.06508	47.4
109.10152	11.1
111.04415	17.0
117.06973	26.2
117.88490	5.0
119.08556	18.4
121.06449	9.2
121.10128	12.5
125.05961	8.9
131.04897	6.2
131.08542	36.3
133.10098	9.1
135.08028	33.6
135.11678	18.9
137.05916	31.8
143.08560	19.1
145.06424	13.2
145.10110	100.0
147.08003	12.5
151.07545	9.3
153.05446	9.4
157.10150	8.7
159.11681	26.9
161.09636	6.6
163.11201	20.2
167.08734	5.3
167.10623	4.9
169.10149	9.4
171.11569	6.1
173.09563	43.6
181.99860	5.0
187.11153	30.0
191.10634	51.8
195.04491	5.4
205.12196	23.4
209.11615	6.1
211.10922	6.8
215.10692	15.3
223.39326	5.0
233.11719	26.7
241.08514	6.5
251.12631	11.3
269.08105	13.6
269.11307	18.8
269.18997	14.8
269.22604	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	269.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.5
55.05508	9.4
67.05498	22.3
69.03415	7.2
69.07064	8.9
71.04977	18.3
78.02057	3.7
79.05472	29.9
81.03410	5.3
81.07045	32.7
83.04967	26.7
85.06531	9.9
86.30028	3.8
89.55620	3.8
91.05471	38.5
93.07033	47.6
95.04945	19.3
95.08601	17.9
97.06538	10.3
99.04433	29.2
105.07021	48.0
107.04954	14.0
107.08585	30.1
109.06512	47.2
109.10165	7.6
111.04433	15.4
113.05943	4.4
117.07014	23.9
117.09644	4.1
118.07344	4.0
119.08582	15.3
121.06496	11.1
121.10142	11.4
125.05994	3.8
129.06967	5.9
130.07764	6.5
131.04984	4.1
131.08553	39.6
132.18895	3.4
133.06479	5.4
133.10106	7.4
135.08022	33.9
135.11670	7.1
137.05956	36.6
141.07057	4.5
143.08559	13.9
144.09297	4.8
145.06502	12.1
145.10106	100.0
147.08072	9.1
147.11687	7.9
149.09613	5.6
151.07536	11.6
153.05475	6.0
153.09114	5.3
155.08528	5.4
156.09259	3.5
158.07181	4.0
159.11716	28.4
161.09653	8.6
163.07561	5.6
163.11171	21.2
169.10075	8.7
171.08032	4.9
173.09581	50.4
181.06503	4.9
187.11140	36.6
191.10631	65.6
197.09631	5.1
203.84319	3.8
205.12201	22.3
209.11755	10.0
211.10959	5.1
215.10609	22.6
233.11685	30.7
233.18912	3.9
246.93146	3.4
251.12816	12.6
251.20013	5.2
269.08133	10.1
269.11438	11.1
269.19037	11.6
269.22620	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	269.1743
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03924	2.4
55.01844	3.5
55.05500	21.0
57.03428	41.5
57.07070	5.9
64.85988	1.1
65.03924	2.0
65.17037	1.0
67.05494	81.4
67.34286	1.0
69.03414	1.1
69.07054	31.9
70.57903	1.8
71.04974	6.6
71.08588	1.2
77.03924	2.3
77.29863	1.1
77.36171	1.0
79.05482	50.3
80.44675	1.0
81.03434	1.4
81.07043	100.0
82.07381	1.3
83.04967	12.1
83.08607	16.8
85.06544	6.0
91.05463	23.4
93.07030	73.2
95.04964	8.1
95.08592	29.0
97.06516	14.3
97.10142	3.4
99.08065	3.8
102.12404	1.2
105.04527	1.6
105.07015	10.3
107.08575	37.6
109.06502	4.5
109.10146	6.4
111.08054	11.5
111.11644	1.1
117.07013	9.1
119.06033	2.0
119.08554	4.5
121.06508	2.6
121.10126	25.7
123.11658	4.7
125.09622	1.4
127.07588	1.5
129.06975	1.9
131.08539	10.0
133.10114	9.5
135.07990	2.1
135.11685	11.3
139.11180	1.6
143.08554	1.2
145.10100	1.7
147.11670	2.9
149.13231	50.1
150.13631	1.2
153.37386	1.2
157.09995	1.7
159.11674	22.3
161.13171	1.2
167.14272	2.3
171.11639	1.7
173.13219	1.6
175.14970	1.5
177.12674	9.2
183.11696	1.3
185.13264	1.6
195.13766	13.2
211.10802	1.6
213.16435	1.9
269.11444	3.1
269.17398	36.0
269.22400	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	269.1744
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03946	1.7
55.01851	2.5
55.05504	22.2
56.05029	2.7
57.03431	33.6
57.07072	4.7
65.03915	1.9
67.05496	77.5
69.07057	31.5
69.70074	2.9
69.70449	2.9
71.04990	6.2
74.82435	1.5
79.05484	46.3
81.03408	1.8
81.07046	100.0
83.04966	11.4
83.08617	20.1
85.06538	5.2
91.05465	27.2
93.07033	68.5
95.04957	9.7
95.08591	28.2
97.06515	13.6
97.10174	2.2
99.08106	3.1
104.99234	1.9
105.07008	12.1
107.08577	41.6
109.06590	1.8
109.10135	9.3
111.08041	9.7
114.05503	2.6
117.07011	13.6
119.08594	5.1
121.06456	1.9
121.10126	24.2
123.08061	2.8
123.11725	5.8
129.07001	1.9
131.08559	15.2
133.10112	14.1
135.07991	2.4
135.11673	11.6
136.06099	2.1
139.11148	2.4
143.08490	2.6
145.10068	4.1
147.11699	3.7
149.13232	43.2
151.11130	2.8
157.10095	3.6
159.11665	27.2
161.13258	3.3
171.11609	2.1
173.13242	2.4
175.14801	2.2
177.12727	10.8
195.13785	14.6
196.58360	1.4
197.09271	2.2
211.10762	7.9
213.09167	2.9
213.16388	2.5
221.63170	1.6
227.18068	2.0
237.05367	3.7
241.08472	1.6
259.24402	1.7
269.05490	4.8
269.08359	1.9
269.11261	7.7
269.17377	38.3
269.22528	25.1
270.17416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54029	1.2
52.98574	1.2
53.03924	3.2
55.01867	2.1
55.05505	22.3
56.05039	1.3
56.33118	1.3
57.03429	29.6
57.07059	4.1
65.03914	2.4
67.05498	75.4
69.06715	1.5
69.07063	29.3
70.64354	1.0
71.04971	7.7
71.08597	2.1
71.44347	1.8
73.02890	1.6
77.03924	1.2
79.05042	2.6
79.05484	50.5
81.03381	3.3
81.07047	100.0
82.07383	1.6
83.04977	11.2
83.08604	20.3
85.06525	9.7
91.05475	30.4
92.05744	1.6
93.07034	69.9
95.04955	7.1
95.05456	1.4
95.08601	25.7
97.06516	20.7
97.10151	3.5
99.08057	3.1
103.47697	1.3
104.99235	2.0
105.04477	2.6
105.07014	10.0
107.08579	38.2
109.06521	2.9
109.10130	5.0
111.08075	9.8
114.05477	2.6
117.07010	12.8
119.08545	2.7
121.06502	2.8
121.10131	17.7
123.11662	4.3
125.09600	1.3
131.08556	13.7
133.10130	15.0
135.08011	3.1
135.11670	11.7
139.11122	2.1
145.10051	1.3
147.11647	1.9
149.13232	43.7
151.11183	2.2
157.10001	1.7
159.11676	22.9
177.12714	9.4
195.13782	13.3
211.10762	8.2
213.14758	1.8
269.11108	2.9
269.17401	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01852	2.9
55.05255	1.8
55.05504	23.8
57.03431	35.3
57.07055	3.3
65.03923	2.4
67.05495	81.9
69.06706	1.7
69.07056	26.5
69.18536	6.2
71.04993	7.0
77.03913	1.9
79.05479	54.2
81.03403	2.0
81.07045	100.0
83.04971	11.9
83.08603	21.9
85.06517	5.8
91.04929	2.2
91.05467	33.0
93.07030	70.5
95.04949	9.8
95.08588	26.1
97.06509	18.6
97.10154	2.1
99.08080	4.6
104.99207	2.2
105.04580	1.1
105.07005	11.5
107.04939	1.4
107.08579	34.0
109.06499	3.7
109.10111	4.9
111.08067	11.2
113.09611	1.7
114.05559	1.4
117.07009	11.8
119.08537	3.7
121.06530	1.8
121.10128	18.9
123.11655	3.9
131.08545	16.5
133.10127	14.6
135.07999	1.5
135.11696	11.9
139.11095	1.6
147.11646	1.9
149.09601	7.2
149.13231	32.5
151.11188	2.2
159.11679	22.7
167.14314	1.4
169.60110	1.3
169.85167	1.3
177.09084	2.1
177.12695	9.8
195.13782	17.0
209.09824	1.4
211.10686	4.5
223.26862	1.3
269.11285	2.3
269.14587	2.5
269.17422	45.0
274.68515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.18372	1.1
53.03928	3.9
55.01856	1.7
55.05503	18.6
57.03431	30.6
57.07055	4.5
63.31213	1.1
65.03942	2.3
65.30020	1.2
67.05495	78.0
67.12128	1.0
69.03400	1.7
69.06708	1.7
69.07056	25.4
69.75407	3.7
71.04992	7.4
79.05486	49.6
81.03409	2.7
81.07047	100.0
83.04973	11.4
83.08615	19.7
85.06531	5.5
91.05470	29.1
91.05939	0.6
91.06040	1.2
92.05791	1.4
93.07034	65.7
95.04951	9.7
95.08591	26.1
97.06520	14.6
97.10131	3.1
98.80633	1.0
99.08048	2.4
105.04501	3.7
105.07010	11.4
107.04909	1.3
107.08578	35.7
109.06503	4.4
109.10182	5.4
111.08052	8.1
117.06995	11.6
119.08547	3.4
121.06440	1.7
121.10112	18.8
123.11681	4.1
125.09618	1.1
131.08563	11.6
133.10127	14.4
135.11661	12.8
139.11163	1.7
147.11687	1.3
149.09602	2.4
149.12097	2.1
149.13240	36.2
151.11169	1.5
159.11676	21.6
177.12714	10.8
195.13777	13.3
211.10689	2.1
213.14612	1.2
269.11316	1.5
269.17416	51.1
270.17685	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.05499	22.8
56.05034	2.6
56.49463	1.9
57.03172	3.4
57.03430	37.0
57.07069	4.7
65.03924	4.0
67.05498	94.5
69.07057	30.4
71.04980	8.0
73.02953	1.7
79.05484	56.0
81.03417	3.2
81.07047	100.0
83.04980	13.1
83.08607	21.9
85.06533	6.6
91.05465	32.3
93.07031	74.1
95.04945	10.4
95.08596	28.1
97.06508	15.8
97.10164	3.5
99.08075	5.5
104.99252	3.6
105.07012	12.6
105.54977	1.6
107.08576	40.7
109.06518	4.8
109.10159	4.0
111.08086	9.7
114.05525	1.8
117.06988	13.2
117.07559	1.3
119.08580	1.5
121.10131	22.9
123.08036	1.8
123.11713	4.4
125.09615	1.8
131.08582	13.8
133.10117	15.2
135.08040	3.5
135.11668	10.8
137.06598	1.9
139.11194	3.3
147.11674	2.5
149.13234	44.3
151.11182	2.4
159.11659	22.8
161.63150	1.6
177.12741	7.6
185.43678	1.6
195.13821	15.9
207.11780	1.7
211.10786	10.8
227.17908	2.0
269.11325	5.6
269.17419	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03939	2.0
55.01860	2.8
55.05274	2.9
55.05506	21.2
56.05016	3.2
57.03427	29.9
57.07063	3.5
60.34228	2.0
63.42889	1.9
67.05495	85.3
69.03397	2.2
69.07054	31.2
69.72824	7.0
71.04976	6.3
72.81206	2.1
79.05483	44.3
81.03407	4.3
81.07046	100.0
83.04979	11.5
83.08611	20.6
85.06532	6.2
91.05470	28.6
93.07030	72.1
95.04958	9.0
95.08588	27.1
95.33971	1.9
97.06518	16.5
97.10194	2.2
99.08087	5.7
104.99256	4.8
105.03392	8.2
105.04508	2.5
105.07025	9.7
107.08578	40.4
109.06500	4.9
109.10148	6.4
111.08057	8.9
114.05466	3.0
117.06988	14.7
118.63096	1.7
119.08581	3.8
121.10130	28.5
123.11710	3.5
131.08527	12.3
133.10118	12.2
135.07990	3.7
135.11671	12.5
136.06163	3.2
149.13242	46.2
151.11156	3.5
159.11673	22.5
177.12741	9.8
185.13333	1.9
186.47763	2.4
192.02681	2.5
195.13812	13.9
197.09242	3.3
211.10727	13.5
269.11328	6.4
269.17447	55.8
270.07538	6.0
270.11444	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	269.226
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
50.27047	0.6
55.01870	0.6
55.05503	9.3
57.03432	2.8
57.07063	2.6
66.92309	0.5
67.05157	1.0
67.05496	15.5
69.07056	12.3
71.04971	1.5
77.03900	0.9
79.05032	1.1
79.05480	15.8
80.57098	0.6
81.07047	22.8
83.04960	1.0
83.08617	6.1
85.06541	0.9
91.05466	14.0
93.07030	20.1
95.04963	1.7
95.08589	17.9
97.06512	1.7
97.07508	0.6
97.10163	2.8
105.07014	17.2
107.04954	0.7
107.08580	16.4
109.06516	0.8
109.10135	9.1
111.08083	1.3
115.05444	0.9
117.06992	6.5
119.08566	13.5
119.09400	0.7
121.10120	13.9
123.11697	4.5
128.06229	1.1
129.07002	4.6
131.08548	11.8
133.10107	12.4
133.90344	0.5
135.11671	7.5
136.06210	0.7
136.17822	0.6
137.13229	0.7
141.06950	0.7
142.07799	0.7
143.08548	7.8
145.10101	14.1
147.11661	8.6
149.09628	0.6
149.13234	8.7
155.08499	0.7
157.10106	5.8
159.11662	9.0
161.13210	5.7
163.14774	2.2
166.84805	0.6
169.10117	1.3
171.11635	7.4
173.13222	11.1
175.14835	3.9
177.12743	0.8
177.16367	1.7
183.11613	1.2
185.13216	11.7
187.14769	10.6
189.16336	6.2
195.11726	0.6
195.13744	0.8
199.14784	11.6
201.16364	1.5
211.10710	1.5
211.14839	1.0
213.16345	14.8
215.17871	1.2
226.17126	2.7
227.17909	7.3
241.19376	1.5
251.20108	1.1
254.09311	1.4
269.08316	0.8
269.11554	2.4
269.22598	100.0
270.22876	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	270.1121
Annotation	p-Hydroxytriamterene
Peak:m/z	Relative Intensity
50.55213	0.1
55.01847	0.3
69.03435	0.2
69.09127	0.1
73.80788	0.1
76.49734	0.1
79.05474	0.2
81.03384	0.3
81.07044	0.2
83.08597	0.2
91.05467	1.7
93.07033	0.2
95.04955	0.4
99.04444	0.2
103.05453	0.7
105.06989	0.3
106.06560	0.3
107.04240	0.3
107.04938	4.8
109.02877	0.2
109.06526	0.4
116.90512	0.1
117.35501	0.1
119.04941	1.0
120.08107	0.2
121.06474	0.2
122.06017	0.6
123.04405	0.4
127.03888	0.2
130.06491	0.6
131.04922	1.3
133.06465	0.2
134.05983	0.3
136.93259	0.2
137.05962	2.1
145.05243	0.3
146.06021	0.9
147.04350	0.2
148.05229	0.1
148.07507	0.7
149.05971	0.5
151.03877	0.5
153.06993	0.3
158.05983	0.5
159.04407	0.1
160.05229	0.4
162.05522	1.5
163.06250	2.4
164.07039	0.7
165.07008	0.2
166.04871	0.2
167.08504	0.2
175.06163	0.2
176.07004	0.7
177.07932	0.2
178.07738	0.4
179.07056	0.2
179.08463	1.0
181.06383	0.8
183.08028	0.6
189.06929	0.9
195.08043	0.8
197.09630	0.2
199.07571	0.3
201.07748	0.2
207.08043	3.1
209.04752	0.5
210.06717	0.3
217.06401	0.3
223.07510	0.6
224.10614	0.4
224.13963	0.2
226.08531	0.3
227.07027	0.6
227.09348	0.4
228.10248	0.2
234.06683	0.2
235.07431	1.0
238.06839	0.3
239.06999	0.2
242.11595	0.4
252.10152	0.5
253.08453	0.2
254.08035	0.3
268.09674	0.2
269.10309	0.2
270.11200	100.0
271.11563	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	270.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58934	6.9
56.36579	7.1
56.96561	44.5
57.03419	10.0
57.95352	6.6
61.02937	8.6
69.03416	17.4
69.88158	17.0
69.88525	14.6
73.06543	25.1
83.35963	7.4
85.02908	99.7
86.61985	8.1
97.02898	21.8
98.97575	100.0
109.02813	8.0
110.07164	11.2
110.97620	9.7
116.98608	64.0
119.01910	9.2
121.06472	30.6
127.03931	32.0
130.93300	16.8
134.99649	28.0
135.27924	8.6
138.05528	20.5
145.04932	41.2
146.99649	9.4
154.03862	9.7
163.06039	16.8
172.94382	31.0
174.19827	9.2
190.95354	42.8
200.56615	8.0
208.96483	10.0
211.10837	8.7
216.96921	11.5
232.96500	12.0
238.43719	7.5
252.09109	8.1
264.95276	12.5
288.98883	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	271.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
54.39511	0.3
55.01866	4.8
57.07067	0.5
68.52087	0.3
69.03420	1.8
69.27246	1.5
69.91937	0.3
71.04976	0.4
73.02886	0.5
78.80598	0.3
79.05482	0.3
81.03397	1.3
81.07043	0.5
85.02876	0.9
86.71872	0.4
91.00351	0.4
91.05473	0.6
95.04945	0.5
96.04482	0.3
97.02882	1.2
99.04449	2.2
103.03943	0.6
103.05473	0.4
105.05756	0.8
105.06966	0.4
107.04245	0.5
107.04939	5.5
107.08614	0.3
109.02860	3.0
115.05412	0.3
118.06548	0.5
119.06016	0.3
123.04406	0.7
126.01047	2.2
127.01814	1.2
127.03909	3.3
128.04929	1.0
131.06030	4.5
135.05501	1.3
140.02562	1.0
145.07533	1.9
146.05975	1.1
150.18874	0.4
152.02614	0.6
153.02116	7.5
154.02904	2.9
155.06026	0.8
156.06778	1.0
161.05959	0.9
164.02568	2.6
165.02127	17.3
166.02795	0.3
167.03703	8.0
169.62679	0.3
173.07088	17.0
174.07822	3.2
179.03636	0.6
180.04552	0.4
181.05206	1.6
191.03726	2.2
191.08249	0.7
207.03156	1.2
208.04079	0.8
209.04736	100.0
210.05060	2.1
225.04221	0.4
239.07314	0.5
253.03680	0.5
255.10121	1.3
270.27774	0.7
271.04749	7.9
271.11401	1.2
272.05048	0.4
272.09280	0.5
272.12863	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24025	0.8
53.03939	20.1
54.22215	0.7
55.05493	1.2
57.03427	3.4
61.02912	0.9
67.05494	0.8
69.03419	57.2
71.04979	8.8
73.02908	14.2
75.72394	0.7
81.03404	43.3
83.04977	1.3
85.02890	32.2
87.04453	2.9
91.05484	0.9
97.02251	1.4
97.02879	29.2
99.04443	63.3
100.04771	0.9
103.03918	9.7
105.06995	1.1
107.04957	0.7
107.08556	0.9
109.02863	85.0
110.03194	1.5
117.36966	0.7
121.06562	0.7
123.04306	1.0
127.03898	100.0
128.04224	1.5
145.04945	4.9
153.06975	1.6
155.08548	1.4
165.06999	2.4
169.04951	3.5
176.82516	0.8
183.08031	1.2
197.01128	0.9
211.07556	2.4
243.11575	1.0
253.07051	3.0
271.07623	5.9
271.10861	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1439
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
56.05019	1.0
67.05487	0.9
69.07082	0.4
70.06557	0.5
73.10641	0.5
79.05472	3.5
80.05001	0.7
81.05793	1.6
81.07032	1.0
91.05463	1.7
93.05769	1.3
93.07011	0.6
94.06558	2.0
96.08120	4.6
106.06555	3.4
108.07371	1.0
108.08096	15.7
109.08907	0.7
110.03886	0.4
118.06546	0.7
120.08055	0.8
122.05968	0.6
122.09645	2.2
129.06995	1.0
131.07214	1.1
134.06021	2.9
136.07556	3.8
141.06964	0.7
142.07761	1.7
143.07321	0.6
144.08055	1.5
146.05916	0.7
146.09644	0.9
147.06755	0.7
148.07539	0.8
154.06491	0.7
155.08536	0.9
156.08025	1.3
156.09245	0.9
157.10121	1.5
158.09612	1.0
159.07988	0.6
159.09131	1.1
160.07617	0.5
165.06996	0.9
166.07753	1.3
168.08067	5.7
168.09320	0.8
169.08812	5.9
170.09602	1.4
171.09087	1.1
172.07547	3.2
172.11143	1.0
174.09114	2.2
180.07935	0.5
181.10158	2.4
182.05923	1.0
182.09593	2.6
183.06700	0.7
183.10394	8.5
183.11729	0.9
184.07603	1.1
185.10680	3.3
186.09109	1.6
186.11482	2.7
188.10617	0.8
193.08842	1.0
194.09599	0.9
195.09236	0.6
196.07532	7.0
196.09409	0.8
196.09901	0.7
197.08310	15.7
197.10556	0.7
198.07556	0.8
198.09360	2.6
198.11050	0.9
198.12761	10.1
199.08606	14.1
199.12288	2.1
200.09271	0.5
200.11006	0.6
200.12994	2.9
208.11148	1.7
210.09108	3.7
210.11324	1.3
211.09901	24.9
212.09399	1.3
213.10188	22.4
214.10921	6.9
215.11824	0.5
215.15424	5.6
225.11818	0.7
225.13838	1.8
226.12227	51.1
227.08217	1.0
227.11732	23.3
228.12532	36.2
229.12851	1.0
239.11713	1.1
240.08749	0.7
241.09581	2.3
241.13258	1.2
242.10365	3.1
243.14894	34.3
244.15118	1.3
253.13338	7.1
254.11710	3.1
254.24712	0.8
255.11247	15.3
256.12027	23.3
257.12469	0.7
271.14362	100.0
272.14716	2.7
272.25919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05503	8.4
57.03445	1.2
57.07052	3.5
57.88821	0.7
59.04985	1.0
60.52164	0.8
62.97966	0.7
65.06416	1.0
67.05499	12.3
69.07059	14.2
69.07430	1.0
71.04977	1.1
71.08595	0.8
79.05486	10.4
81.03395	1.1
81.07046	30.3
83.08609	6.7
91.05466	9.4
93.07030	15.6
95.08593	35.7
97.10143	4.3
105.04498	1.0
105.07014	19.5
106.07336	0.8
107.08585	21.7
108.81550	0.8
109.10143	22.7
111.08047	1.9
111.99307	0.7
117.06999	7.4
119.08568	21.7
121.10127	14.6
123.11690	6.2
129.06981	3.1
131.08551	16.4
133.10112	21.6
135.11673	9.2
137.06076	0.9
137.13223	2.1
141.06970	2.0
143.08540	7.1
145.10109	18.9
147.08122	0.9
147.11682	14.8
149.13255	8.9
151.11194	0.8
153.06973	1.3
155.08533	3.6
157.10109	6.5
159.08099	1.2
159.11684	22.0
161.09610	1.1
161.13240	13.1
163.14786	10.7
165.06978	4.1
169.10118	2.0
171.11662	3.4
173.13251	14.6
175.11139	1.2
175.14792	11.0
177.16399	6.7
181.06410	0.8
183.07988	2.0
183.11687	3.5
185.13268	2.1
187.14778	12.3
189.12697	1.8
189.16331	5.7
191.17934	2.3
197.13248	5.1
199.14772	3.4
201.12662	1.1
201.16370	20.1
202.16846	1.4
203.17918	2.1
211.07622	2.2
211.14827	2.4
213.16258	6.1
215.14531	1.8
215.17892	21.5
216.18553	1.2
225.16420	5.3
227.17949	1.1
228.18640	0.9
229.19452	4.7
243.17326	1.3
243.21085	4.3
244.98241	0.8
253.19498	15.3
256.07547	0.9
271.02274	1.1
271.09589	4.4
271.20560	47.6
271.24161	100.0
272.21384	1.6
272.24475	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	272.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
56.96556	100.0
57.03422	6.4
61.02920	3.0
69.03415	7.5
70.06576	6.4
72.08138	1.9
73.02909	10.2
74.97595	2.0
84.96030	9.5
85.02883	12.6
87.04460	1.9
97.02867	9.7
97.99157	4.5
98.97565	21.4
110.01241	2.6
110.06017	2.2
110.97530	5.1
112.99123	3.9
116.00180	11.6
116.07001	1.8
116.98607	10.6
119.01772	7.8
122.97550	2.8
124.99046	3.3
126.97010	1.9
127.03905	6.7
128.02330	1.7
128.98605	6.1
131.00143	3.3
131.01854	2.3
134.01225	14.9
134.02946	3.7
134.99652	2.4
140.98570	14.6
143.00131	5.6
145.03398	2.0
145.04977	2.2
146.02278	3.9
146.99661	5.3
147.98706	2.8
152.02309	4.2
155.02838	5.8
158.99631	31.6
161.01216	15.7
161.02618	2.7
168.98013	8.5
170.03325	3.1
170.99635	2.4
173.02878	2.0
174.04417	1.8
176.03317	2.5
177.00711	12.6
179.02277	1.8
179.56548	1.7
182.03358	7.1
186.99100	47.8
189.00702	5.6
191.03862	14.8
191.54082	1.8
192.96466	3.2
200.02350	1.7
200.04375	9.4
201.00703	4.7
202.45897	1.6
205.00165	45.2
210.97496	1.8
212.97032	3.8
219.01747	6.7
223.01282	6.1
225.29518	1.7
228.01740	8.6
230.18474	1.6
230.98070	35.4
237.02887	3.0
243.01799	2.6
246.02844	3.4
248.99149	95.2
253.99777	2.4
261.02838	2.5
267.00171	32.7
272.00723	7.0
272.06488	2.2
272.11130	2.5
272.17273	3.2
279.04013	4.1
290.01471	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	272.1279
Annotation	(S)-Norcoclaurine
Peak:m/z	Relative Intensity
55.01852	1.2
65.02034	0.3
68.46090	0.3
69.48936	1.3
70.77203	0.3
77.03927	0.4
79.05478	1.4
91.05492	1.5
93.07033	0.4
95.04968	1.8
98.23463	0.6
98.97633	0.6
103.05452	0.7
105.03391	0.5
105.04505	0.7
105.07014	0.6
107.04939	100.0
108.05273	1.8
115.05442	6.2
117.07004	0.9
119.04916	0.6
121.06480	1.6
123.04417	8.6
127.03958	0.4
128.00710	0.3
131.04901	1.0
131.05983	0.4
132.06358	0.4
133.06476	1.6
136.07559	0.3
137.05972	1.0
143.04901	9.8
145.06467	6.5
145.07555	0.7
149.05965	1.7
154.02512	0.5
155.01843	0.4
155.06071	0.8
158.25038	0.3
161.05957	18.6
162.06302	0.3
164.07051	1.3
166.02429	1.4
166.07753	0.6
167.01822	1.5
168.03999	0.7
169.03427	0.7
173.07089	1.3
174.07498	1.4
181.06407	0.6
185.28801	0.3
190.07716	0.5
191.08502	1.6
192.03984	0.4
194.07269	1.9
197.06033	0.4
209.04716	1.0
209.09610	2.8
210.05103	8.8
211.04448	8.4
219.07999	0.9
222.06789	0.5
226.06192	0.9
237.09019	3.5
240.07814	1.3
255.10127	29.7
255.70654	0.3
256.10388	1.0
257.60159	0.3
272.05084	1.1
272.12781	43.8
273.13098	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.7
56.96558	10.2
69.70367	8.6
69.70692	2.7
70.06584	5.0
72.08144	43.4
98.22701	2.9
98.97578	33.7
101.98743	2.7
103.05457	10.1
104.07098	3.8
107.04952	5.9
116.98603	28.8
123.04414	100.0
131.04910	25.4
132.10158	3.0
134.99608	15.2
143.08162	2.9
143.11760	24.9
147.04422	9.7
149.05984	17.3
159.04367	13.6
164.55035	2.6
165.05493	2.9
171.11267	8.4
175.03891	13.9
177.05449	46.9
181.46783	2.7
193.04945	46.4
194.05327	3.5
203.03337	18.6
211.05962	33.3
221.04401	54.0
227.10927	2.8
239.05455	41.6
242.09097	3.6
256.96613	2.9
257.06497	4.2
269.03360	3.3
274.07132	3.3
274.27457	7.2
274.97418	28.0
292.98618	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	274.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.6
56.96553	6.1
58.06595	1.9
69.56380	5.8
70.06595	2.7
72.08143	100.0
82.39820	1.3
86.09689	6.2
89.57317	1.6
95.08582	1.7
96.70832	1.5
98.22723	2.4
98.97569	29.1
100.07624	2.3
104.07094	9.6
115.08669	7.5
116.98604	23.8
118.06548	1.6
119.06863	2.6
121.06497	2.1
123.04420	1.4
129.10191	3.5
132.10205	2.4
134.99641	15.2
138.10251	1.5
143.08141	3.2
143.11777	58.1
171.11246	19.9
182.06842	2.3
201.09966	1.6
202.10425	1.9
203.13896	2.7
232.96295	2.4
250.93199	1.3
256.96387	3.4
274.07300	2.2
274.11746	1.4
274.27466	2.9
274.97449	25.0
292.98520	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	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.2
59.59621	0.8
67.73720	0.8
70.10656	1.8
71.95261	1.1
92.82818	0.9
98.23438	0.8
98.97573	100.0
101.31450	0.9
116.98615	40.5
122.34180	0.9
134.99651	9.4
141.28117	0.7
150.11343	0.8
172.94357	3.8
190.95340	2.2
208.96362	0.8
211.62083	0.7
214.95372	3.1
232.96391	5.5
247.15855	0.9
250.97473	2.0
256.96432	12.8
274.97479	77.0
275.97980	1.1
286.67108	0.9
292.98514	37.1
297.99023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14515	0.5
56.96276	0.9
56.96555	14.3
66.92661	0.4
70.79618	0.6
70.98103	0.4
71.95243	1.0
79.31153	0.4
89.31384	0.4
98.97571	100.0
110.97590	0.8
113.02364	1.8
113.07153	0.6
116.98607	47.7
125.07089	0.7
130.93309	1.1
134.99638	10.7
153.00687	0.8
163.86317	0.6
172.94327	4.8
172.97505	0.5
190.95354	3.7
190.98550	0.7
197.15738	0.5
208.96475	1.4
214.95422	3.0
219.01756	1.3
232.96410	5.9
237.02739	1.5
248.99506	0.5
250.12726	0.4
250.97571	1.9
251.00636	0.6
256.96426	12.4
274.97473	72.6
275.10959	7.0
275.97821	0.9
292.98520	38.0
297.99097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98645	0.8
56.96557	13.3
65.27569	0.5
66.03600	0.5
67.29676	0.5
98.97568	100.0
99.93087	0.6
99.97971	0.7
116.98605	45.8
130.93266	1.3
134.99646	10.6
172.94296	4.7
190.95410	2.8
208.96396	0.6
214.95407	2.8
232.96451	4.9
250.97453	1.8
256.96384	12.2
274.97467	67.5
275.10980	29.6
283.06778	0.7
292.98508	36.6
297.99161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96281	0.8
56.96556	11.4
66.03252	0.5
67.95471	0.6
70.23444	0.5
70.57166	1.0
98.97565	100.0
99.97862	0.7
114.25450	0.5
116.98603	45.3
126.80881	0.5
130.93312	0.6
134.99632	11.5
153.00687	1.0
154.93211	0.7
172.94341	4.2
175.20634	0.5
190.95346	3.9
194.40889	0.5
208.96400	1.2
214.95418	2.5
232.96408	5.8
233.03398	0.6
250.97522	2.0
256.96375	12.1
274.97455	77.2
275.10977	10.0
275.97696	1.2
292.98508	36.9
293.98972	0.6
294.92542	0.6
298.95605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54088	5.0
56.96547	16.7
59.01896	5.1
70.94144	7.0
72.08155	6.0
73.02887	6.2
77.33826	5.4
85.02890	11.7
95.06064	31.4
97.02886	8.6
98.97547	30.0
101.00865	12.0
113.07113	100.0
116.98621	16.4
117.48863	5.4
119.01882	39.3
131.01895	5.7
135.51607	4.4
138.05460	14.0
139.14157	4.6
155.01891	15.1
173.02946	14.0
185.02827	7.1
203.03979	5.8
213.02385	9.6
257.01233	10.5
274.97452	11.2
275.02469	10.5
275.05225	30.6
275.10947	51.1
292.69775	5.2
293.03464	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	275.0911
Annotation	CHEBI:70627
Peak:m/z	Relative Intensity
55.01862	1.7
55.05486	2.7
57.07061	1.2
65.03928	1.7
67.05489	5.2
69.07056	3.7
69.78114	2.5
73.38583	0.7
74.77074	0.7
79.05479	4.1
81.03391	0.9
81.07038	11.6
83.04967	0.8
83.08596	1.5
91.05456	5.4
93.07032	5.4
94.04179	1.7
95.04940	2.6
95.08582	6.5
98.97540	1.1
103.05438	1.5
105.07018	4.5
107.08573	4.5
109.06549	0.8
109.10126	6.8
111.04452	0.9
115.05437	11.6
116.06236	4.3
116.98624	0.9
117.06990	2.4
118.47824	0.7
119.08557	5.4
121.10141	4.5
123.11671	7.6
124.05186	2.9
127.05433	1.2
128.06195	6.7
129.07007	6.0
131.04889	4.4
131.08543	5.3
133.06479	2.0
133.10115	3.0
135.11679	2.5
137.09608	1.4
139.05389	3.0
141.06967	36.7
142.07304	1.0
143.04839	0.8
144.05669	17.2
144.14742	0.7
145.06461	4.8
145.10097	2.1
147.11646	3.4
149.09581	1.2
149.13193	3.7
154.06152	0.9
155.04884	11.6
155.06004	1.3
156.05623	3.4
157.02811	0.8
157.06487	10.7
159.04372	2.3
159.08047	5.1
159.11613	1.8
160.05132	1.1
161.02299	0.9
161.05957	12.5
161.13251	1.5
165.12794	0.8
167.04887	2.1
168.05659	3.1
169.06458	28.7
170.03691	1.0
170.06837	0.9
171.04395	4.5
172.05161	18.2
173.05936	3.3
174.06705	2.0
175.07480	0.8
176.04700	1.4
176.08191	0.7
181.63614	0.7
183.04384	15.4
184.05170	5.1
185.05957	7.6
186.03047	1.0
186.06706	1.6
187.03909	1.6
187.07510	55.3
187.14818	1.8
188.04739	1.4
188.07819	1.4
189.05447	14.7
191.14566	1.0
197.05928	2.3
199.03850	2.4
200.04634	8.4
201.05409	8.7
202.06165	3.2
203.06981	5.2
204.07779	6.8
212.04678	0.9
213.05431	1.2
214.06212	0.9
215.06990	44.5
215.14119	0.7
216.07736	3.9
217.04945	14.0
217.08342	4.3
230.05722	2.9
231.06493	2.6
232.07262	23.0
233.07864	2.7
243.06403	1.0
245.08040	4.4
246.08838	1.4
247.09616	29.7
257.08096	2.8
257.18918	1.2
257.22568	1.3
260.06696	2.4
261.07541	1.9
275.09085	100.0
275.20004	9.3
275.23550	2.1
275.27353	2.4
276.09689	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	1.7
55.01864	4.3
55.05502	11.5
56.96571	0.9
57.03415	1.5
57.07055	0.9
65.03923	0.6
67.05496	15.4
69.03409	2.0
69.07069	8.0
71.04973	2.2
71.44859	0.9
79.05482	17.9
81.03410	0.8
81.07048	20.0
83.04979	6.6
83.08599	4.1
85.06522	0.9
91.05466	25.0
93.07030	19.3
95.04942	5.7
95.08595	14.2
97.06513	4.4
97.10149	1.8
98.97560	2.0
100.18019	0.7
103.05447	1.1
105.07012	29.5
107.04932	5.9
107.08569	14.0
109.06499	6.9
109.10146	6.0
111.08057	2.3
116.98639	1.4
117.06991	8.8
119.08556	18.9
121.06496	7.4
121.10133	9.5
123.08060	5.3
123.11671	1.3
125.09614	1.3
129.06978	2.2
131.08543	14.2
133.06477	1.8
133.10112	18.2
134.99606	1.2
135.08029	4.2
135.11667	4.7
137.09619	1.9
141.06953	1.3
143.08531	2.5
145.06474	1.1
145.10106	11.5
147.08067	2.2
147.11649	14.2
149.09612	8.8
149.13232	1.6
151.11133	2.2
155.08563	1.2
157.10095	3.2
159.08018	1.1
159.11659	7.8
161.09578	2.9
161.13229	2.6
163.11153	6.1
165.09274	0.7
165.12698	0.8
169.10107	1.1
171.11604	1.5
173.09561	1.8
173.13203	4.2
175.11186	2.1
175.14677	0.8
177.12746	2.3
183.11682	1.6
187.11148	1.3
187.14780	0.9
191.14259	1.8
197.13211	2.0
201.12686	2.4
201.16359	0.9
203.14275	1.0
204.89111	0.7
215.14270	1.3
215.17894	2.1
219.13765	1.5
229.19495	2.4
233.18860	1.1
239.17857	3.3
247.20522	1.4
257.18997	10.9
262.35449	0.7
275.04861	0.8
275.20020	100.0
276.20328	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	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	4.3
55.05506	17.0
60.53431	1.3
67.05494	18.3
69.07056	13.1
69.95329	2.7
69.95692	2.7
71.04980	2.9
79.05482	25.3
81.07043	26.3
83.04958	3.9
83.08602	5.7
83.44501	1.2
91.05470	41.7
93.07033	22.8
95.04953	5.2
95.08591	14.8
97.06540	6.0
97.10147	2.0
103.05450	2.1
105.07015	57.9
107.04932	4.1
107.08585	17.9
108.45453	1.4
109.06493	4.6
109.10120	7.6
109.79718	1.4
115.05455	1.5
117.07019	11.0
119.06019	1.4
119.08569	34.8
121.06479	4.6
121.10118	10.0
123.08050	2.9
123.11662	2.5
129.07014	2.4
131.08543	13.1
133.10110	39.0
135.08028	5.4
135.11670	4.5
137.09590	4.5
143.08534	3.8
145.10103	15.2
147.11652	21.4
149.09550	8.0
149.13242	2.6
151.11148	2.9
157.10075	3.6
159.11688	8.7
161.09619	1.6
161.13251	5.0
163.11147	4.7
165.12628	1.9
169.10127	2.9
171.11676	1.7
173.13278	6.2
177.12756	2.3
183.11766	1.5
187.11008	1.4
187.14706	1.6
191.14259	1.4
197.13254	2.6
201.12839	1.4
215.14299	1.7
215.17934	1.4
229.19469	4.0
239.17865	6.5
247.20471	3.1
257.19040	9.8
275.20029	100.0
276.20331	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	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02345	0.8
53.03932	2.2
55.01868	8.4
55.05253	1.3
55.05502	16.9
57.03424	0.7
57.07071	0.9
59.04974	0.8
59.96295	0.7
65.03899	1.1
67.05491	19.3
69.03424	1.2
69.07056	12.6
71.04974	2.0
79.05479	22.4
81.03406	1.9
81.07040	37.9
83.04967	2.5
83.08603	6.8
91.05463	58.1
93.07030	20.0
95.01314	1.4
95.04958	5.0
95.08588	14.6
97.06518	9.7
97.10143	3.1
98.17816	0.8
103.05441	2.4
105.07011	100.0
106.07352	1.6
107.04932	3.7
107.08556	10.9
109.06497	3.8
109.10130	4.7
115.05467	1.8
116.06204	1.2
117.06982	11.3
119.08559	42.3
121.06538	1.3
121.10110	4.8
123.08065	1.6
123.11630	1.6
125.09618	1.4
129.06972	1.6
131.08551	18.7
132.09286	1.1
133.10106	54.5
135.08017	2.0
135.11693	3.8
143.08553	2.3
145.10091	15.5
146.10948	1.0
147.11656	22.2
149.09599	2.7
151.11093	1.6
157.10118	3.2
159.11653	6.6
161.09598	1.2
161.13242	2.6
163.11133	1.3
165.09076	2.3
169.10088	0.8
169.45587	0.8
171.11694	2.5
173.13232	3.2
175.11121	1.7
175.14699	0.9
177.12711	1.4
183.11702	2.3
187.11099	1.1
187.67870	1.0
197.13223	2.0
229.19481	1.5
239.17795	1.7
247.20569	2.5
257.18939	7.3
275.20020	80.2
275.27725	2.2
276.20377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.01597	0.4
53.03945	0.6
55.01648	0.4
55.01870	4.7
55.05259	0.8
55.05507	13.0
56.65820	0.3
57.03414	1.5
57.07056	1.3
59.04985	0.4
65.03938	0.9
67.05495	18.4
67.63934	0.3
69.03423	1.8
69.06697	0.7
69.07059	9.9
69.68485	1.4
71.04990	2.2
77.03909	1.4
79.05483	21.5
81.03390	0.8
81.07048	21.0
83.04519	0.6
83.04974	8.4
83.08601	3.4
83.47073	0.3
85.06526	1.4
91.05467	27.0
93.07035	23.6
95.04954	6.4
95.08598	13.5
97.06515	4.1
97.10146	1.1
103.05467	1.1
105.04499	1.1
105.07018	36.5
106.07330	0.5
107.04944	4.4
107.08577	15.1
109.06506	7.7
109.10141	5.7
111.08056	2.1
115.05438	0.9
116.06203	0.4
117.07007	10.0
118.70113	0.4
119.08563	21.2
121.06491	8.0
121.10127	7.8
123.08046	6.0
123.11664	1.4
125.09597	1.2
128.06238	0.7
129.06985	2.4
130.07788	0.7
131.08556	14.6
133.06493	3.0
133.10115	19.9
134.10416	0.4
135.08035	5.1
135.11685	4.4
137.05997	0.6
137.09578	2.0
139.07440	0.4
141.06981	1.0
142.07780	0.6
143.08537	2.8
145.06476	1.4
145.10104	11.9
147.08057	2.8
147.11668	17.1
148.08784	0.4
149.09605	5.6
149.13263	1.9
151.11166	1.3
155.08556	1.5
157.10152	3.1
159.08047	1.5
159.11678	9.5
161.09605	3.0
161.13239	4.4
163.11157	3.8
165.09111	0.5
165.12737	0.5
169.10086	1.4
171.11714	1.9
173.09608	2.3
173.13203	4.6
175.11180	2.0
175.14792	1.1
177.12721	2.1
179.10545	0.5
183.11646	1.9
185.13225	1.0
187.11163	1.7
187.14815	1.2
189.12683	1.0
191.07791	0.4
191.14296	2.1
197.13232	1.2
199.14832	0.6
201.12724	2.4
201.16364	0.6
205.12239	0.5
207.13771	1.2
207.15697	0.4
213.16228	0.5
215.14278	1.0
215.17908	1.7
219.13791	2.0
229.19493	2.3
233.15407	0.7
233.18983	1.2
239.17911	3.2
247.20610	2.0
257.18976	8.9
275.20026	100.0
276.20453	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03929	1.3
55.01868	5.1
55.05504	15.9
57.03409	2.9
57.07059	2.3
57.97016	0.7
65.03912	0.8
67.05496	24.3
68.69490	0.7
69.03399	1.8
69.07053	12.1
70.06563	1.0
71.04978	2.3
71.08631	0.8
77.03888	1.1
77.90536	0.7
79.05485	32.5
81.03407	2.8
81.07047	60.0
82.07370	0.8
83.04975	4.0
83.08617	6.1
85.06521	2.0
88.07631	1.3
91.05468	32.7
93.07028	25.9
95.04945	8.5
95.08591	19.9
97.06518	5.3
97.10157	2.5
98.22700	1.5
99.08111	1.2
100.85517	0.7
103.05484	0.9
103.15052	0.6
105.04514	1.1
105.07012	43.9
106.07384	0.9
107.04944	11.6
107.07912	1.4
107.08578	17.9
109.06504	21.1
109.10123	5.6
111.08053	2.5
115.05440	1.1
117.07014	8.1
119.08566	29.2
119.09413	1.6
121.06509	7.1
121.10127	12.3
123.04428	0.8
123.08053	5.4
123.11703	2.8
125.09633	1.6
129.06953	2.6
130.07765	0.9
131.07635	1.2
131.08548	13.8
133.06479	2.9
133.10112	29.5
135.08044	6.8
135.11670	4.8
137.09627	4.1
141.06958	1.4
143.08534	2.6
145.06502	1.4
145.10107	14.3
146.10591	0.8
147.08020	2.8
147.11667	16.8
149.09595	9.0
149.13206	4.4
151.11172	3.0
155.08556	1.5
157.10075	3.7
159.08038	1.1
159.11661	10.6
161.09602	2.5
161.13254	5.5
163.11171	6.5
163.14838	1.7
163.39114	0.8
165.12700	2.0
169.10083	2.4
171.11676	2.9
173.09634	0.7
173.13248	5.5
175.11160	2.6
175.14857	1.4
177.12695	2.6
183.11697	2.1
185.13200	1.1
187.11177	1.8
187.14792	1.4
189.12729	1.4
191.14313	1.0
193.12178	2.1
197.13274	2.0
199.14845	0.9
201.12766	1.7
201.16492	0.9
210.14096	0.8
213.16344	0.8
215.14377	1.7
215.17918	1.8
229.19373	4.1
233.15517	1.0
235.84706	0.7
239.17891	5.0
244.77095	0.7
247.20522	4.9
257.18970	10.1
257.26480	0.9
274.27426	1.4
275.20020	100.0
275.27682	8.8
276.20471	3.6
299.63422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.62846	0.9
53.03923	1.3
55.01852	2.9
55.05503	14.6
57.03412	3.0
63.11432	0.7
65.03922	1.2
67.05155	1.3
67.05494	19.4
69.03444	1.0
69.07061	10.3
69.94622	1.6
71.04968	2.1
77.03908	1.2
79.05041	1.3
79.05483	22.2
81.07047	23.0
83.04958	3.1
83.08612	5.8
85.06517	1.6
91.05466	35.9
93.07032	22.4
95.04971	5.6
95.08593	12.5
95.68712	0.8
97.06485	4.5
97.10142	2.5
99.08057	1.1
103.05450	1.9
105.04521	1.1
105.07016	46.5
107.04930	8.5
107.08577	15.8
109.06518	5.0
109.10149	5.5
111.08058	1.2
117.06996	11.9
119.06133	0.8
119.08562	35.3
120.08939	1.0
121.06478	5.1
121.10132	8.9
123.08046	2.0
123.11710	1.1
125.09596	1.9
128.06238	0.8
129.06976	3.6
131.08551	14.8
133.06465	2.2
133.10115	32.7
135.08031	5.0
135.11664	4.5
137.09550	4.0
137.44408	0.8
139.11119	1.3
141.06985	1.0
143.08517	1.8
144.09370	0.9
145.06459	0.7
145.10098	13.5
147.08025	2.2
147.11661	16.0
149.09612	13.1
149.13205	1.3
151.11179	1.6
157.10106	3.4
159.08020	1.0
159.11678	9.1
161.09569	2.2
161.13219	5.3
163.11172	6.3
165.12653	1.1
169.10063	2.6
171.11667	2.4
173.13223	5.0
175.11150	3.3
177.12738	1.7
183.11644	2.6
185.13242	2.7
187.11116	1.1
187.14799	1.6
189.12738	2.0
191.14294	1.5
197.13249	2.5
203.14299	1.0
205.12169	1.2
213.16434	1.3
215.17873	1.5
219.17415	1.1
229.19495	3.4
233.15343	1.3
233.19145	1.0
239.17929	5.9
247.20491	3.7
257.18948	11.1
261.84830	0.8
275.20023	100.0
275.27802	3.4
276.20355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02356	0.9
53.03932	2.7
55.01869	4.5
55.05504	17.8
57.03429	10.5
57.07058	1.3
64.18195	0.7
65.03935	1.5
67.05495	28.3
69.03412	0.7
69.07060	13.8
70.49510	1.5
71.04965	2.4
71.99092	0.7
77.03909	1.0
79.05484	35.1
81.03402	2.1
81.07045	65.1
82.07392	0.8
83.04972	3.8
83.08603	6.9
85.06529	2.5
90.80232	0.6
91.05468	53.0
92.82843	0.9
93.07031	28.5
95.04960	8.7
95.08594	18.1
97.06499	7.8
97.10147	3.0
99.08059	1.3
103.05445	2.0
105.04478	1.8
105.07015	63.6
106.07310	1.1
107.04922	6.2
107.08584	16.3
109.06500	23.2
109.10125	6.6
111.08075	1.9
115.05449	1.1
116.06158	0.8
117.06997	16.4
119.08566	40.2
120.08881	1.3
121.06477	4.1
121.10129	11.4
123.08045	3.7
123.11680	1.5
125.09659	1.3
128.06187	1.1
129.06995	3.9
130.07697	1.2
131.08554	18.6
132.09393	1.1
133.06458	1.4
133.10112	40.5
135.08075	6.1
135.11646	5.3
137.09595	3.0
141.06935	1.2
142.07738	1.0
143.08554	3.0
145.10103	16.1
146.10823	0.9
147.08041	1.9
147.11655	22.8
148.12090	0.9
149.09608	7.8
149.13275	3.2
151.11160	2.7
155.08453	0.9
157.10115	3.3
159.11671	11.3
161.09567	2.2
161.13232	4.5
163.11168	3.5
163.14799	0.9
165.12711	1.9
169.10085	2.3
171.11673	2.3
173.13190	4.6
175.11118	2.3
175.14774	1.5
177.12688	2.3
183.11725	1.7
185.13252	3.7
187.11194	1.0
187.14813	1.2
191.14288	1.4
193.12201	3.0
197.13211	2.5
201.12714	1.3
201.16339	2.7
203.14281	6.7
211.14781	1.0
215.17842	0.9
219.13980	1.0
219.17409	24.0
225.06488	0.7
229.15836	0.8
229.19450	2.8
239.17941	4.3
239.79578	0.7
247.20566	3.9
257.18948	7.8
275.20026	100.0
275.27750	2.6
276.20477	4.1
295.65723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.14553	0.8
53.03932	2.4
55.01859	3.5
55.05505	13.0
57.03433	6.9
57.07061	2.4
58.07368	0.8
62.51552	0.9
63.51698	0.8
64.90652	0.8
65.03924	1.2
67.05151	1.6
67.05495	25.1
69.03419	2.0
69.07054	9.8
69.61103	3.4
70.06578	1.1
71.04973	3.2
74.41415	0.8
79.05480	36.2
81.03406	4.1
81.07046	83.8
82.07363	1.1
83.04967	3.3
83.08604	5.6
85.06527	2.5
88.07610	1.3
91.05466	37.3
93.07034	24.1
95.04950	7.2
95.08595	15.9
97.06507	3.0
97.10159	1.7
97.36402	0.8
97.95053	0.8
98.97575	1.2
99.08086	1.0
103.05414	0.9
105.07014	42.6
107.04941	5.6
107.08577	16.3
109.06504	31.2
109.10142	7.6
111.08049	2.0
115.05422	1.4
117.07004	11.2
119.08560	29.2
119.09417	1.7
121.06480	3.6
121.10133	12.6
123.04359	1.0
123.08025	4.7
123.11684	3.1
125.09599	1.1
129.06978	3.3
131.08546	14.1
133.10112	27.7
135.08032	5.2
135.11624	5.6
137.09586	2.3
141.07037	1.2
143.08600	2.1
145.10092	10.6
145.47922	0.8
147.07983	1.5
147.11656	18.2
149.09584	6.1
149.13257	5.2
151.07550	0.9
151.11194	2.7
155.08542	1.7
157.10094	4.6
159.11664	10.2
161.09608	2.1
161.13248	5.4
163.11102	5.0
163.14828	1.6
165.12730	3.0
169.10115	1.4
171.11656	2.7
173.09685	0.9
173.13237	5.6
175.11195	1.6
175.14801	1.4
177.12703	2.1
183.11702	2.7
185.13277	1.9
187.11159	1.9
187.14745	1.4
189.12746	1.2
193.12206	4.7
196.17136	0.8
197.13242	2.0
199.14606	0.9
201.12798	1.2
203.14342	1.6
205.15793	0.9
215.14397	1.3
215.17833	1.3
219.17432	6.3
229.19484	3.4
232.25230	1.0
233.15297	1.1
239.17889	3.3
247.20508	6.7
257.18951	8.7
274.27509	1.3
275.04852	1.0
275.20032	100.0
275.27661	10.1
276.20352	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	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.43219	1.0
55.01862	4.1
55.05506	13.5
57.03423	3.4
57.07071	1.6
61.27871	1.2
63.19662	1.1
65.03937	1.4
67.05496	18.7
69.03475	1.1
69.07063	9.0
71.04979	1.7
79.05491	19.3
81.07052	26.1
82.35143	1.3
83.04985	2.7
83.08595	4.0
85.06555	1.9
91.05467	34.0
93.07047	21.3
94.25439	1.0
95.04968	6.0
95.08611	13.3
95.44330	0.9
97.06510	3.0
97.10166	1.7
98.23470	2.0
103.05450	1.4
105.07024	48.1
107.04950	5.6
107.08594	15.8
109.06535	5.8
109.10150	5.7
111.08080	2.2
117.07008	9.5
119.07735	2.2
119.08573	35.2
121.06481	5.3
121.10132	10.9
123.08050	4.6
123.11710	2.2
123.99284	1.0
125.09632	1.3
129.06987	3.4
131.08566	16.7
133.06488	1.6
133.10118	30.1
135.08075	5.2
135.11717	5.7
137.09625	2.7
141.07072	1.2
142.07759	1.0
143.08604	2.5
145.06435	2.2
145.10103	10.7
147.07985	1.7
147.11671	19.8
149.09618	7.6
149.13206	1.9
151.11148	1.6
157.10118	3.0
159.08003	1.2
159.11703	7.8
161.09630	1.6
161.13211	6.7
163.11145	6.1
167.14633	1.1
169.10139	2.2
171.11688	2.4
173.13234	5.0
175.11107	2.4
177.12706	1.5
183.11736	2.2
185.13333	1.1
187.11192	1.4
191.14302	2.4
197.13216	2.0
201.12761	2.1
201.16425	1.4
215.14258	1.5
219.13734	1.3
229.19519	3.0
239.17911	4.9
247.20587	3.5
248.03767	1.4
256.42236	1.2
257.18951	9.6
275.04691	1.9
275.20056	100.0
275.27664	5.6
276.20450	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	276.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.17559	0.2
56.65108	0.2
60.04512	0.6
66.04672	0.2
69.03408	0.3
69.07061	0.3
69.19989	0.4
69.20401	1.0
75.85602	0.2
76.23778	0.2
79.05476	0.5
81.07033	0.3
81.55128	0.2
84.38200	0.2
86.10268	0.3
91.05486	0.2
94.06553	0.5
95.08578	0.4
97.06516	0.7
98.22707	0.6
104.05013	0.2
105.88642	0.3
122.06010	0.6
124.05184	0.3
132.04414	0.4
133.05222	1.7
134.03642	0.2
134.06010	0.4
135.06770	0.5
141.23669	0.2
144.13832	1.8
150.05486	3.6
151.06216	0.4
152.04659	0.7
162.05496	0.7
163.03899	0.5
164.03400	0.6
178.04982	10.9
179.05756	100.0
180.06529	15.2
180.08926	0.3
181.06911	0.2
192.06577	0.5
214.08487	0.3
248.12537	0.3
258.11197	1.0
258.20712	0.4
261.13583	0.9
276.09418	0.5
276.12292	4.4
276.15833	1.6
276.21704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52376	0.3
51.84290	0.3
55.95576	0.3
58.20995	0.3
69.03368	0.3
69.51559	0.9
70.06560	0.3
76.50173	0.2
79.05479	0.3
81.07084	0.3
89.82980	0.3
97.06515	0.7
98.22774	0.5
104.04977	0.3
105.34879	0.3
122.06013	0.6
132.04422	0.8
133.05238	1.6
134.03645	0.3
135.06804	1.3
144.28906	0.3
150.05498	4.7
151.06261	0.4
152.04669	1.0
153.05391	0.3
162.05443	0.6
164.03406	0.4
170.93523	0.3
172.04965	0.3
178.04985	11.9
179.05757	100.0
180.06531	16.5
181.06856	0.4
230.08751	0.3
240.19553	0.6
258.11169	0.7
258.20715	0.4
261.13504	1.4
276.09448	0.6
276.12286	4.5
276.15918	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	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61079	0.7
56.96561	12.7
69.50354	2.6
70.95868	0.7
83.76371	0.7
85.09679	0.7
98.97570	100.0
100.97165	1.2
116.98605	67.6
122.69408	0.8
134.99638	31.8
137.17267	0.7
149.02299	1.1
153.00671	3.7
161.02953	0.8
179.00648	1.4
192.94785	1.5
208.88960	0.7
210.95854	3.8
229.62546	0.7
234.95767	3.6
234.99686	1.1
240.98642	3.6
252.96877	4.0
258.99738	55.8
259.99878	2.2
267.95749	0.9
276.97311	8.9
277.00760	73.9
278.00931	3.3
282.01517	1.0
294.97964	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	277.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	21.9
66.05159	20.1
69.48983	89.2
88.96927	19.6
97.77151	17.6
119.01917	48.2
161.02946	70.2
173.02943	26.4
244.15544	17.2
273.37717	19.9
277.03085	100.0
277.06754	81.3
277.08994	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44720	0.3
53.03941	1.5
54.75272	0.2
55.01864	2.8
55.05502	1.2
57.03428	7.6
58.06583	0.4
59.04991	0.7
61.02916	1.3
65.03947	0.5
67.05497	1.6
69.03418	100.0
69.07059	0.8
70.03756	0.6
70.06573	0.4
71.01350	1.5
71.04984	2.3
72.08143	0.7
73.02528	0.5
73.02905	5.7
73.03282	0.5
77.37437	0.3
79.05486	1.0
81.03405	19.4
81.07050	1.2
83.01334	0.7
83.04963	1.1
84.08122	0.4
85.02889	14.7
85.39548	0.3
87.04444	2.6
91.05470	0.8
93.07038	0.9
95.01282	0.4
95.04961	1.1
95.08597	0.8
97.02877	16.8
97.10157	1.2
98.03158	0.3
99.04442	18.4
101.02355	0.7
103.03923	1.2
107.08620	0.4
109.02873	1.9
109.10165	0.4
110.43991	0.3
111.04429	1.4
113.02362	1.0
114.10283	0.9
115.03914	11.4
115.04697	0.6
117.05469	5.0
119.04918	0.9
121.06445	0.3
123.04418	1.3
125.02335	1.0
127.03882	3.2
129.05518	0.3
130.06534	0.7
133.04942	9.7
133.10132	0.3
135.04430	0.6
136.07556	0.3
137.05931	0.3
139.03888	1.0
143.03349	1.5
144.08064	1.2
145.04948	3.1
146.06006	0.9
147.04382	4.2
147.05452	0.5
151.03937	0.9
154.40685	0.3
156.08020	0.5
157.04935	0.5
158.09633	0.8
161.04436	5.6
163.03891	0.5
164.07031	2.5
167.07237	0.4
168.08078	1.7
169.04922	1.4
179.05420	0.4
180.06552	0.5
180.08086	0.4
181.04933	0.7
181.07446	0.6
186.09100	2.5
187.06001	0.4
188.07040	0.5
193.04866	0.4
199.06020	0.8
204.09964	0.3
211.05931	0.6
224.20052	0.5
229.09769	0.3
230.08044	0.4
231.07613	0.5
240.19591	0.4
241.07001	0.8
241.09602	0.5
241.19968	0.4
242.07999	0.4
242.21075	0.3
259.08148	2.5
259.10675	0.5
259.20789	0.5
260.13937	0.4
260.22241	0.4
277.09140	30.2
277.12396	1.6
277.16483	1.6
278.13702	0.8
278.23212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0914
Annotation	Ranunculin
Peak:m/z	Relative Intensity
53.03941	1.3
55.01865	2.1
55.05498	0.8
57.03146	0.4
57.03426	7.8
58.93858	0.3
61.02915	1.9
65.03922	0.4
67.05492	1.6
69.03416	100.0
69.52688	1.5
70.03752	1.2
70.06578	0.5
71.01337	2.4
71.04983	2.0
72.08157	0.4
73.02901	5.8
73.06539	0.4
79.05463	0.8
81.03404	20.1
81.07055	0.6
82.03790	0.5
83.01338	0.7
83.04970	1.9
85.02892	15.9
87.04448	2.9
91.05467	1.0
95.04957	1.4
95.08599	0.5
97.02874	20.4
98.22665	0.4
99.04438	20.6
100.04824	0.4
101.06009	0.6
103.03924	1.3
109.02865	1.5
111.04432	1.3
113.02358	0.6
114.10273	0.7
115.03912	11.3
115.04697	0.7
117.05463	5.8
118.65275	0.4
119.04887	0.9
121.06465	0.4
123.04427	1.1
125.02322	0.8
127.03892	3.8
129.06982	0.5
130.06499	0.7
133.04948	8.2
135.04398	0.7
137.05956	0.4
139.03864	1.4
143.03375	1.6
144.08090	0.8
145.04927	3.3
147.04404	3.7
151.03862	1.3
154.06496	1.8
156.08098	1.3
157.04942	0.4
161.04424	6.8
169.04973	1.7
172.07521	0.5
174.05464	0.4
175.05981	0.4
177.05368	0.4
181.04924	0.6
182.05994	6.2
184.07568	0.6
186.09195	0.4
187.06052	0.8
188.07092	1.1
193.04945	0.8
197.04424	0.4
199.05966	0.8
200.07011	0.8
205.08777	0.4
211.06062	0.5
214.08511	0.5
231.11174	0.7
240.19507	0.7
241.07050	1.1
241.19925	0.6
242.08081	2.0
259.08124	3.0
259.10724	0.6
260.09137	5.1
260.13580	0.5
277.09125	29.7
277.11667	1.3
277.16507	1.4
278.09518	0.7
278.23331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
53.68224	0.4
55.01873	2.8
55.05505	1.5
57.03432	7.3
57.07085	0.5
59.04985	0.4
59.07818	0.4
61.02914	1.0
61.20058	0.4
63.00858	0.4
67.05505	1.1
69.03423	100.0
69.07077	0.5
70.06568	0.5
70.80846	0.7
71.01355	2.1
71.04987	2.7
72.08147	0.9
73.02913	6.3
73.06553	0.6
79.05482	1.2
81.03407	20.4
81.07054	1.1
83.04970	1.6
85.02897	15.6
87.04453	2.9
91.05471	1.3
92.57391	0.5
93.07040	0.6
95.04961	1.7
95.08591	0.9
97.02885	16.8
97.10172	0.6
99.04444	20.2
101.02345	0.5
102.32524	0.5
103.03944	2.0
107.04961	0.5
107.08536	0.6
109.02890	1.5
109.06528	0.5
109.10149	0.6
111.04406	2.2
113.02367	1.1
114.10287	0.8
115.03924	11.4
117.05475	6.2
118.06535	1.0
119.04964	0.5
121.06486	0.7
123.04414	0.9
125.02331	1.2
125.32186	0.5
127.03913	3.6
129.05435	0.6
130.06511	2.6
133.04945	8.3
135.83260	0.4
137.06047	0.6
139.03908	1.1
143.03419	1.6
144.08099	1.6
145.04941	2.9
146.05977	3.2
147.04391	5.1
149.02411	0.5
150.05536	0.5
151.03889	1.6
156.08150	0.8
157.04927	0.9
158.09665	2.1
161.04446	6.8
164.07091	1.7
165.05496	0.6
168.08087	4.0
169.04988	1.7
170.06148	0.5
172.07599	0.8
175.05986	0.5
179.05635	0.5
181.07404	0.5
186.09129	7.1
187.05992	1.2
188.07042	2.3
193.04829	0.5
195.09097	2.4
196.07489	0.6
199.06128	0.6
203.08255	0.5
211.05861	0.5
218.11942	0.5
231.07735	0.6
241.07135	1.0
241.09715	1.6
241.19986	0.7
242.08153	1.8
245.09247	1.4
258.20715	0.5
259.08136	3.3
259.11044	1.8
260.22287	1.2
277.09177	34.4
277.12616	5.5
277.16489	2.9
278.09396	0.6
278.13962	1.0
278.23291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1068
Annotation	3,4-Dihydro-1,2-secomicrominutinin methyl ester
Peak:m/z	Relative Intensity
52.19220	0.6
52.52752	0.6
55.01867	1.8
56.06198	0.6
59.37901	0.6
67.05499	0.8
69.03417	2.4
69.25974	3.1
70.52893	0.7
81.03395	1.2
81.07065	0.9
85.02904	1.0
85.06509	0.7
91.05477	0.7
95.04961	1.3
95.08628	0.7
105.07029	1.0
109.02876	0.8
115.05437	2.1
124.05195	1.6
127.05415	0.8
128.06204	11.7
129.06984	12.6
131.04909	6.4
139.05406	10.8
141.06970	2.0
143.04784	0.6
144.05663	1.8
145.06499	1.9
146.07274	0.8
155.04881	3.8
155.06000	1.4
156.05684	3.2
157.06467	88.5
158.06870	2.5
159.04390	4.7
167.04900	7.3
170.03622	4.2
171.04546	0.7
172.05138	3.4
173.06013	1.0
174.06752	7.2
183.04364	0.8
184.05121	4.8
185.05951	100.0
186.06369	3.6
187.03874	4.0
187.07521	4.2
189.09103	1.8
195.05516	4.8
198.03183	0.9
199.07486	2.0
200.04709	1.3
201.05466	1.7
202.06209	23.8
203.06955	3.1
212.04686	1.7
213.05428	50.5
214.05797	1.7
215.03421	1.1
215.06998	3.5
216.07730	0.9
217.08568	51.5
218.08873	1.3
219.06363	1.3
227.06941	1.6
230.05743	1.1
231.06483	1.9
245.08057	93.0
246.08530	4.7
259.11469	2.1
262.08386	1.7
277.10632	25.6
278.11066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1657
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.05501	1.1
58.55524	0.3
60.01546	0.3
60.05642	4.1
67.05497	1.4
69.03427	2.0
69.07046	0.7
69.49231	1.4
70.06572	1.1
71.04963	0.3
72.08142	10.3
72.15616	0.3
77.03882	0.3
79.05494	0.5
81.03391	0.5
81.07051	1.6
85.02893	0.6
89.10778	0.9
91.05461	5.4
93.07029	0.9
95.04939	0.4
95.08594	1.3
97.02887	0.7
97.06530	0.4
97.07635	1.5
98.06034	0.9
98.22709	0.5
98.97544	0.5
99.04431	0.3
105.07038	0.4
106.68513	0.3
107.08580	0.8
109.10147	0.6
113.47880	0.3
114.10275	20.9
115.08694	3.0
119.04927	21.6
119.08510	0.5
121.06474	0.4
131.12891	3.5
133.10156	0.3
135.11684	0.3
136.07565	0.3
144.08144	0.3
147.04385	100.0
148.04773	1.7
148.05838	0.4
149.13254	0.3
152.94293	0.3
156.20346	0.3
157.10829	0.3
164.07079	0.8
217.13309	4.0
218.11696	4.8
223.18860	0.5
224.20056	0.9
232.09705	0.7
235.14386	0.8
241.19868	1.0
242.21144	2.3
245.09171	0.3
259.10635	0.4
259.20929	1.5
260.13910	8.5
260.22153	2.4
261.11331	0.3
277.16550	46.0
278.16760	1.7
278.23218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	1.7
53.63418	0.6
55.01860	1.9
55.05248	1.3
55.05504	17.2
57.03423	1.4
57.07069	10.1
59.04074	0.6
65.03931	1.5
67.05495	37.6
68.10283	0.6
69.07057	18.3
70.06593	0.8
71.04987	4.6
71.06911	0.9
71.08617	3.2
77.03929	0.6
79.05481	39.0
80.05816	1.0
81.03381	1.4
81.07047	40.9
83.04971	2.4
83.08616	6.6
85.06538	3.0
85.10177	1.5
91.05468	37.9
93.07033	57.6
94.07343	1.2
95.04953	8.8
95.08594	24.8
95.09210	1.2
97.06506	3.1
97.10146	2.5
99.08081	1.4
105.04505	2.0
105.07015	35.8
106.07333	0.8
107.04948	1.4
107.08578	30.5
108.09045	0.9
109.06487	5.2
109.10132	11.5
111.08069	1.7
111.11720	0.8
113.06001	0.9
113.09624	1.3
116.67883	0.7
117.07012	7.2
119.08567	30.3
120.08917	1.0
121.02834	0.9
121.06490	3.7
121.10127	26.7
123.08041	2.0
123.11686	7.3
127.07550	1.2
128.06216	1.0
129.06976	7.5
131.08542	9.3
133.06480	1.4
133.10112	29.7
134.10458	1.1
135.08032	6.1
135.11661	12.6
137.06012	1.2
137.09602	2.2
137.13242	3.3
139.07484	1.6
141.09119	0.9
143.08522	5.7
145.10109	6.6
147.04384	0.8
147.08057	7.5
147.11661	26.8
149.02321	24.5
149.09583	4.2
149.13232	12.4
151.03850	1.6
151.11162	1.6
153.09081	2.7
156.57030	0.9
157.10136	5.1
159.11684	2.3
161.06035	1.8
161.09630	6.9
161.13231	11.2
162.06754	1.9
163.11156	1.9
163.14786	7.3
165.05507	1.3
165.09103	2.4
165.12730	5.5
167.10657	1.8
169.10144	1.1
171.11668	10.1
173.13223	2.0
175.07535	4.2
175.11165	7.5
175.14775	7.8
177.16377	3.6
179.10657	4.1
180.07799	2.4
181.12273	1.6
185.13193	4.0
187.14838	1.5
189.12723	7.2
189.16261	0.8
193.08569	6.2
193.12260	8.0
195.13785	2.4
199.14815	1.8
203.07053	1.9
203.14238	1.5
207.13785	13.5
209.15433	1.4
215.17967	1.7
217.12260	3.0
217.15990	1.1
217.19489	22.4
218.19882	1.1
221.15329	8.3
231.17444	4.7
231.21106	2.4
235.13254	10.6
235.16936	2.2
236.13565	0.7
241.19482	10.0
242.19821	1.1
259.20535	15.3
266.44812	0.7
277.14401	4.0
277.21594	100.0
277.28165	13.6
278.21973	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	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.54190	2.7
53.03939	2.9
55.01857	3.6
55.05504	24.7
57.07075	4.6
65.03918	3.7
67.05495	44.9
69.07054	18.9
69.51720	9.1
71.08629	22.5
71.63402	2.8
77.03908	4.2
79.05481	68.9
81.03411	5.8
81.07046	54.9
83.04973	5.7
83.08617	7.4
85.06507	4.0
91.05466	38.3
93.07030	100.0
95.04936	13.1
95.08587	36.6
97.06506	5.7
97.10136	6.2
98.23394	4.0
99.08069	13.6
105.04491	3.1
105.07027	22.6
107.04906	5.9
107.08574	51.3
109.06504	5.5
109.10131	10.8
113.09624	3.9
117.07014	4.9
119.08550	15.5
121.06497	3.9
121.10126	50.6
123.07976	3.3
123.11696	3.9
131.08560	7.5
133.10120	10.7
135.11685	54.0
137.09578	4.5
143.08549	3.2
145.10149	6.5
147.08029	3.2
147.11674	7.9
149.13219	16.8
151.11185	11.5
159.11662	2.9
161.13261	9.2
163.11090	3.1
163.14799	6.3
171.11653	3.5
177.12741	4.2
179.14270	22.8
199.65338	2.8
216.39110	2.8
221.15372	3.5
231.17529	3.2
235.13095	4.2
259.20639	5.4
277.18585	5.3
277.21613	89.7
278.22025	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	278.093
Annotation	Sclerotigenin
Peak:m/z	Relative Intensity
56.19461	0.1
68.85431	0.1
71.44543	0.1
97.30812	0.1
113.93173	0.1
149.02344	0.5
163.05420	0.6
164.06110	1.0
165.06984	1.1
166.07669	0.1
176.06134	1.1
177.06941	3.4
178.07722	3.5
179.08522	7.7
180.08929	0.2
181.06483	0.4
182.06801	0.1
188.06119	0.2
189.06956	9.3
190.07736	2.0
191.08569	2.3
192.05667	8.7
192.08044	1.8
192.09193	0.2
193.06378	0.9
194.07198	0.4
195.04256	0.1
195.08037	0.4
201.07094	0.2
202.07697	0.8
203.04802	0.1
203.07146	0.4
203.08559	0.5
204.05791	0.6
204.08023	7.4
205.06432	6.7
205.08438	0.4
206.07219	3.1
206.09256	0.2
207.08005	33.4
208.08656	1.9
209.05913	0.2
209.09409	0.2
216.05682	0.2
216.08029	0.4
217.06436	4.4
217.08791	1.1
218.07202	2.0
218.09572	1.2
219.04590	0.2
219.08015	4.9
220.05142	16.2
220.07507	7.9
221.05943	1.5
221.09637	2.0
222.06714	0.2
222.10205	0.3
223.07558	0.2
223.11142	0.6
229.07582	0.3
231.04439	0.3
231.06731	0.8
232.07448	5.3
233.06047	1.9
233.08150	0.6
233.09862	0.3
234.06677	3.1
234.09087	2.5
235.07486	66.7
236.08102	5.1
236.10611	0.4
237.08893	0.2
245.06097	0.6
246.06718	0.6
246.09064	0.8
247.07475	2.2
247.09850	19.0
248.04579	4.8
248.07065	4.7
248.10379	0.7
249.05031	0.3
249.09103	4.3
250.09824	4.3
251.10605	3.4
259.07693	0.2
260.08337	0.9
261.08987	0.6
262.05951	0.2
262.08517	2.9
263.06924	60.2
263.09415	13.9
264.07336	3.0
264.09946	1.2
277.08463	0.9
277.11066	0.3
278.09250	100.0
278.11768	26.4
279.09845	10.6
279.12372	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01846	3.2
55.05510	15.6
57.03436	19.1
57.07066	5.3
58.06583	5.6
67.05159	3.3
67.05495	42.6
69.07059	18.8
69.43067	10.5
70.06587	39.5
71.04967	9.7
79.05482	28.0
81.07048	61.0
82.06586	3.5
83.08625	13.2
84.08131	9.4
85.06528	16.7
91.05457	19.0
93.07036	47.4
95.04949	5.3
95.08018	3.6
95.08599	62.2
95.09201	3.7
96.08112	3.4
97.06505	6.4
97.10143	4.9
98.09689	2.4
98.97541	2.5
99.08064	4.9
102.04704	2.5
105.07005	15.9
107.08575	30.5
109.10139	24.6
110.09660	4.0
111.08053	8.8
113.05977	3.1
114.10273	2.1
114.77625	1.9
115.07536	2.0
119.08545	11.1
121.02840	2.6
121.10101	11.9
123.11769	3.0
125.09603	5.7
133.10130	16.3
135.11673	13.0
137.09669	3.2
147.04372	8.1
147.11650	11.4
148.04707	10.6
149.02327	19.9
149.13237	8.2
153.12793	2.2
161.13229	3.5
163.14809	5.9
164.07100	2.2
189.16344	14.7
205.70480	2.2
206.19081	3.5
207.17415	4.2
224.20062	43.8
225.18472	9.2
232.09642	5.0
242.21118	97.1
243.21637	2.3
253.98155	2.1
254.61998	2.2
260.22192	100.0
261.22491	2.7
265.98663	2.0
278.13831	6.3
278.16693	4.9
278.23215	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	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96279	1.2
56.96558	19.1
60.25373	0.5
70.06564	1.5
84.96033	5.1
85.83311	0.5
86.97582	0.5
93.68275	0.4
97.27465	0.5
97.96806	0.5
98.97572	100.0
99.97894	0.8
102.96906	1.1
110.58836	0.5
110.97556	7.0
112.99118	2.5
116.98610	37.9
124.99105	6.8
128.98589	5.4
131.00154	2.1
134.99631	7.7
139.00648	1.1
140.98584	5.2
143.00153	16.9
144.98080	0.8
146.51483	0.5
146.99641	2.3
149.01192	0.5
155.00053	0.8
158.99640	36.5
161.01213	8.3
162.99162	0.7
170.99629	2.2
173.01138	1.1
174.99126	1.2
177.00690	36.3
182.99644	0.7
189.00679	2.7
195.01756	3.2
200.02150	0.7
201.00677	0.9
207.01776	1.6
212.93120	0.5
219.01743	9.6
237.02783	55.6
255.03850	51.1
255.96327	1.4
256.04099	0.6
260.04416	0.9
272.95407	0.8
273.04895	1.8
278.97092	0.6
279.03830	20.4
297.04892	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	279.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68419	0.5
56.96557	7.3
57.07041	0.5
62.47890	0.5
69.74203	0.5
69.74544	1.4
73.93908	0.5
81.07042	0.6
84.96041	0.9
85.02898	0.4
98.97567	100.0
110.66879	0.4
110.97549	23.1
112.99136	0.7
116.98602	41.7
117.99025	0.4
124.99081	0.6
128.98590	23.3
131.00230	0.5
134.98746	0.4
134.99631	9.9
140.00188	0.6
140.98647	0.6
143.00166	1.6
146.99626	7.6
149.02304	2.9
152.00244	0.5
153.00667	0.6
158.99625	37.1
161.01208	1.1
165.00677	1.1
170.99628	12.1
177.00684	46.9
177.10832	0.5
189.00676	21.7
195.01720	3.5
200.02269	0.5
207.01740	12.9
219.01701	3.9
225.02768	0.7
237.02774	7.7
242.21306	0.7
249.02858	0.6
255.03770	3.9
260.22168	0.5
278.23254	0.6
279.03763	5.1
297.04990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1014
Annotation	DIHYDRO TANSHINONE
Peak:m/z	Relative Intensity
53.56012	0.4
55.01851	0.5
55.05486	1.1
57.07072	2.1
67.05500	2.6
69.03413	0.4
69.07046	1.0
71.44098	0.4
79.05465	1.2
80.23523	0.4
81.07055	3.7
83.04949	0.5
83.08620	0.5
91.05483	0.8
93.07054	1.9
95.04971	0.6
95.08595	2.5
98.97556	0.5
107.08561	1.3
109.10124	1.8
111.04397	0.5
116.98652	0.6
119.08542	0.6
121.02796	0.4
121.10079	0.6
123.11665	0.5
133.10138	0.5
134.88269	0.4
135.11667	0.6
141.06970	2.3
147.11743	0.4
149.02328	11.5
150.02696	0.6
155.08556	1.2
159.08057	1.1
161.51846	0.5
165.06975	2.2
166.07741	2.8
169.06444	16.0
169.07652	1.9
178.07698	0.6
179.08514	2.1
180.09315	0.7
181.10143	2.9
188.19666	0.4
189.06966	3.5
190.07762	23.6
191.08269	1.6
192.09279	1.1
195.07994	0.6
195.11711	1.0
202.07761	1.7
203.08524	3.0
204.09302	1.7
205.10109	42.7
206.10399	1.5
208.08896	1.1
209.09590	6.5
214.07852	0.5
215.08527	4.1
218.07242	9.3
219.05688	2.7
219.07889	1.2
222.06702	0.5
223.07552	3.6
223.11171	0.6
232.08749	0.9
233.09593	54.8
234.10005	2.1
235.11282	0.5
237.09096	5.4
243.09224	0.7
246.06728	2.5
247.16895	0.7
251.07111	2.7
251.10579	3.5
261.09088	53.9
261.21820	0.6
262.09402	1.6
264.07794	1.3
279.10123	100.0
280.10367	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	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.02356	0.5
53.03942	1.4
55.05502	8.4
56.52168	0.4
57.03429	0.8
57.07068	2.3
65.03634	0.5
65.03932	2.6
67.05495	98.0
68.05823	1.2
69.07059	11.3
69.69744	0.8
69.70097	0.9
71.04979	1.3
77.03902	0.5
79.05483	14.8
79.36113	0.4
81.07046	100.0
82.07372	1.2
83.04984	1.6
83.08605	5.9
85.06538	1.6
91.05457	5.3
91.30109	0.4
93.07034	13.0
95.04959	1.2
95.08594	79.2
95.35656	0.4
96.08940	0.9
97.06538	1.5
97.10154	2.6
98.22765	0.9
99.08059	0.5
101.06024	0.6
101.66287	0.4
105.04510	0.5
105.07016	4.0
107.08575	8.8
107.09241	0.7
109.06506	0.9
109.10143	49.9
110.10475	1.0
111.08079	0.5
111.11708	0.5
115.07531	0.9
117.07001	1.6
119.08581	3.7
121.02877	0.6
121.10122	8.0
123.08073	1.3
123.11691	25.2
124.12087	0.4
125.09605	0.5
131.08549	4.0
133.10112	2.6
135.08084	0.9
135.11668	4.8
137.09598	1.4
137.13246	10.0
139.11150	0.5
143.08560	0.4
145.10095	3.2
147.11661	2.5
149.02322	7.2
149.09604	1.7
149.13226	2.5
151.11182	0.9
151.14774	2.9
153.09076	1.0
159.11728	2.5
161.13235	2.0
163.11150	1.4
163.14821	1.8
165.12740	1.0
165.16342	1.0
167.10637	0.5
173.13229	3.4
175.14833	0.5
177.12698	2.1
177.16281	0.8
179.14256	1.4
181.12173	2.1
183.40596	0.4
187.14783	3.2
191.14331	0.8
195.02177	0.4
195.13799	2.4
201.16402	0.8
205.15862	0.7
209.15331	3.7
219.05685	1.6
219.21132	1.1
223.15018	0.6
223.16867	2.5
237.18529	1.5
243.21056	3.0
261.22119	4.4
279.09399	2.7
279.23154	41.2
280.23575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1018
Annotation	Xestodecalactone C
Peak:m/z	Relative Intensity
53.03939	2.6
55.01864	11.9
55.05510	2.4
56.96550	1.8
57.03431	2.5
59.04987	1.7
61.02917	5.1
69.03410	13.9
71.01340	3.1
72.08128	1.9
73.02918	9.2
79.05479	3.3
81.03410	15.1
81.07052	3.1
85.02895	14.1
87.04428	2.0
88.03973	3.7
88.54720	1.8
91.05444	18.9
93.07026	5.8
95.04955	2.9
97.02881	100.0
98.97554	6.5
99.04451	1.9
101.80014	1.7
103.03918	5.7
103.05450	7.3
105.03398	1.9
105.07006	11.9
107.04922	4.8
109.02856	2.4
109.06474	2.0
111.04444	6.4
115.05454	15.1
116.98605	7.5
117.07014	14.1
119.04935	8.4
119.08531	3.1
120.08103	10.1
121.06491	18.5
123.04404	32.5
125.65765	1.8
127.03914	2.9
128.06194	26.4
129.06992	35.2
131.04901	15.6
131.08539	6.5
133.06465	8.0
134.99646	3.6
135.04370	4.9
136.06155	6.5
137.05960	59.2
137.32176	1.7
141.06973	13.7
143.04900	7.3
143.08539	19.6
145.06467	31.8
147.04388	26.7
147.08063	5.1
149.02267	2.1
149.05972	38.2
150.02678	4.3
150.07718	8.4
151.07518	10.9
152.06200	5.2
153.06966	16.7
155.04845	4.9
155.06029	5.2
156.05692	2.2
157.06474	39.2
159.04428	2.6
159.08031	7.1
160.05197	7.5
161.05952	38.8
161.09546	2.0
162.04088	2.7
163.03920	11.0
163.07536	14.5
165.05452	43.6
165.06786	3.2
166.08586	5.1
167.07005	25.9
169.06517	11.6
170.07135	2.3
171.08014	19.7
173.05965	35.0
174.06738	8.2
175.04135	2.1
175.07516	63.9
177.05487	9.5
177.09061	3.8
179.07013	11.0
181.05032	2.6
181.06459	20.0
184.05174	3.3
185.05948	14.4
187.07547	18.4
189.05475	20.1
189.09105	18.8
191.06998	47.5
193.04993	3.7
193.08649	2.4
197.05920	4.6
199.07523	41.3
201.05492	3.8
203.07014	31.0
205.08563	5.9
207.06499	12.5
209.05986	4.3
209.07967	4.7
215.06989	11.8
217.08556	32.4
219.06467	8.0
220.13293	4.1
221.08089	6.4
222.11208	3.7
227.07005	25.8
233.08054	23.4
235.09605	2.9
245.08064	90.1
246.08202	2.9
251.09161	15.7
258.99774	2.4
263.09125	61.7
264.09393	2.4
277.00882	4.4
281.10117	48.6
281.15323	5.6
299.06128	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	281.1169
Annotation	Rataniaphenol I
Peak:m/z	Relative Intensity
55.01849	0.4
69.42081	0.6
69.42487	0.3
83.66990	0.1
105.48464	0.2
112.94398	0.2
116.57909	0.1
149.33148	0.1
152.06165	0.7
153.06914	0.3
165.06961	1.8
166.07713	0.4
167.08533	3.2
176.06267	0.4
177.06958	4.4
178.07738	2.5
179.04880	0.3
179.08498	2.2
180.09195	0.3
181.06439	0.4
181.10081	0.4
189.06979	2.9
190.07710	2.2
191.06818	0.2
191.08502	2.8
192.09137	0.3
193.06454	1.0
193.10088	0.2
194.07243	1.9
195.08018	10.9
196.08409	0.6
202.07726	0.5
204.05643	0.2
205.06430	3.0
206.07198	1.2
207.08012	9.3
208.08775	3.8
209.06032	0.2
209.09605	1.6
210.06807	0.2
210.10263	0.4
212.08281	0.2
213.09001	0.2
217.06430	0.3
218.07210	0.3
219.07971	2.1
220.08780	6.1
221.06030	0.8
221.09497	1.0
222.06769	1.1
222.10413	0.8
223.07498	11.2
224.07974	0.6
232.08731	0.6
233.05981	0.3
234.06624	0.5
235.07486	4.9
236.08232	3.8
237.09050	16.0
238.09795	8.8
239.10275	0.5
248.08307	0.7
249.09109	0.8
250.09827	3.4
251.06996	5.3
251.10593	3.1
252.07660	1.3
253.08388	0.2
253.12126	0.4
255.89630	0.2
263.06888	0.3
263.10657	0.8
265.08575	4.4
266.09311	8.6
267.09732	0.4
281.11658	100.0
282.11984	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	281.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01830	1.2
55.05485	0.9
67.05470	0.8
69.03403	0.6
69.09186	2.1
71.08569	0.4
79.05441	1.1
81.03379	0.4
81.07008	1.3
83.04926	0.4
83.08586	0.4
91.05421	0.8
93.07008	0.9
94.41261	0.3
95.04951	0.6
95.08551	1.0
98.97562	1.0
104.99221	0.5
105.06992	0.7
107.08547	1.0
109.10104	0.5
115.05376	0.3
116.98567	1.3
119.08530	0.7
121.02780	0.5
121.10106	0.4
131.08479	0.3
133.10107	0.5
134.99579	0.6
135.08015	0.5
141.06984	0.5
142.07729	0.4
147.11606	0.7
151.82822	0.3
153.06964	0.5
155.08617	0.4
165.06944	1.0
169.06415	2.2
169.07657	0.6
178.07753	2.4
179.08513	3.9
180.09312	0.3
180.68060	0.3
189.06917	0.9
189.80507	0.4
190.07808	1.1
191.08536	5.3
192.09311	36.2
193.10062	4.9
195.08015	0.4
202.07744	10.2
202.62268	0.3
203.08463	1.5
204.09367	0.7
205.06416	2.0
205.10109	0.6
206.07251	2.0
206.10994	0.6
207.08072	4.5
207.11656	15.6
208.11937	0.5
215.08609	0.6
216.09341	1.0
217.10081	7.9
218.07262	0.9
218.10582	0.5
219.08018	3.8
219.11536	0.5
220.08791	17.1
221.05983	0.4
221.09485	3.6
222.06833	0.5
233.09569	0.6
234.10330	0.6
235.11139	100.0
236.11443	4.1
245.09727	1.0
248.08284	1.6
263.10635	47.7
264.10934	2.3
277.00787	0.7
281.11691	10.6
282.12067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.05483	8.1
57.03423	7.8
57.07066	100.0
61.57726	8.1
63.04476	33.4
67.05505	9.6
69.03415	20.2
69.07050	13.6
69.73358	18.0
69.73756	15.5
78.62006	7.7
79.05504	11.6
80.33231	10.1
81.07039	26.5
85.02895	39.2
91.05471	11.5
93.06998	17.6
95.08601	30.2
97.02884	8.0
97.06510	8.4
98.23462	14.4
105.07015	17.2
107.08625	11.4
119.08566	18.5
119.10685	64.0
121.06540	9.2
121.10129	8.5
123.08109	12.2
127.03848	9.1
131.08557	14.8
132.05739	9.1
133.10120	14.1
139.11134	17.5
148.52696	7.9
157.10042	9.9
161.13223	15.2
163.11165	65.6
164.63651	7.9
167.10545	8.9
191.25679	8.7
198.04674	8.7
221.15555	8.6
245.15477	8.6
263.16614	17.1
266.08871	12.5
281.08069	19.2
281.11261	9.6
281.17401	41.5
282.08682	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	7.3
53.76561	2.2
55.01865	3.1
55.05504	34.6
55.35822	1.9
57.03428	25.8
57.07063	3.6
62.40258	1.8
64.72549	1.9
65.03934	3.8
67.05496	87.5
67.49266	1.8
69.03421	3.2
69.07047	12.0
71.04988	3.9
77.03905	2.9
79.05484	100.0
81.03394	14.3
81.07049	62.9
81.07406	1.6
83.04974	36.6
83.08629	6.7
85.06534	2.9
91.05467	73.4
93.07037	64.2
95.04959	36.7
95.08592	38.4
97.02829	2.2
97.06512	3.7
97.10155	6.9
98.97578	9.2
99.08076	1.9
105.04493	5.6
105.07019	50.1
105.07724	3.0
107.04937	9.2
107.08570	22.9
109.06497	12.8
109.10161	8.0
115.05431	2.3
116.98605	7.4
117.06987	13.8
119.08569	27.0
121.06496	5.6
121.10142	7.2
123.08050	11.4
124.84544	2.0
125.09602	1.9
127.07507	2.2
128.06187	5.3
129.06999	18.5
131.08588	3.7
133.10120	14.0
134.99632	4.3
135.11694	2.8
137.09531	2.5
143.08575	12.2
145.10126	12.6
147.08130	2.4
147.11664	35.2
147.17488	2.1
151.02734	2.3
161.09616	5.5
161.13255	13.6
171.11671	25.1
189.12741	8.5
201.53075	2.2
207.13818	11.0
247.71788	1.9
258.99753	5.1
260.29636	1.9
277.00839	4.7
281.17255	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	282.0134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98623	0.6
56.96561	9.5
70.92845	0.4
71.95259	0.7
98.97575	100.0
116.98612	49.6
123.15812	0.3
134.99649	11.5
140.00163	0.6
153.00699	1.0
216.98633	0.8
234.99782	0.5
240.98602	2.8
258.99747	35.2
259.99930	1.4
271.23840	0.4
277.00790	50.3
278.01056	1.4
295.01889	0.7
301.00891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40752	0.5
54.98622	0.6
56.28305	0.5
56.72991	0.5
56.96561	12.6
69.51723	2.2
71.95238	0.7
84.08106	0.7
85.02918	0.9
86.09690	1.2
98.97569	100.0
99.97932	0.6
116.98603	64.5
120.97878	0.5
121.00785	0.5
121.06477	0.5
134.99638	26.0
140.00195	0.7
150.07733	5.6
153.00699	3.1
172.94363	0.6
177.07677	0.5
190.95319	0.9
193.03131	0.8
198.96758	0.6
206.11752	1.1
216.98650	0.6
225.00696	0.7
234.99702	1.2
240.98619	3.7
258.99738	44.3
259.99918	2.0
277.00769	65.8
278.00949	2.0
282.01212	0.7
292.88504	0.6
295.01810	1.3
300.02463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.01854	3.1
56.96547	6.5
57.03413	5.3
60.77219	2.3
61.02928	10.5
67.05499	2.3
69.03424	20.8
71.04997	2.4
71.34863	2.8
73.02901	5.8
74.46220	1.7
81.03401	6.7
85.02895	100.0
85.03410	4.9
85.06532	21.8
87.04469	2.9
91.03921	9.1
97.02893	22.2
98.97572	64.9
99.04457	3.5
109.02831	8.5
115.03887	3.1
116.98615	37.0
127.03907	29.0
134.99631	9.6
145.04938	52.8
150.07738	2.1
152.89941	2.2
163.06027	14.6
229.10744	2.5
236.75272	1.9
256.80447	2.2
258.99719	26.7
277.00815	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	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.1
55.01866	46.5
55.05503	84.8
57.03429	75.7
57.07065	6.6
59.04996	14.2
61.02660	2.5
65.03934	3.6
67.05150	4.1
67.05494	43.5
67.28428	2.9
69.03416	5.4
69.07069	20.9
71.01331	3.8
71.04982	18.5
75.05174	2.9
75.13301	3.1
77.68799	2.7
79.05485	83.3
81.03411	33.9
81.07050	65.0
83.01334	44.0
83.04972	52.3
83.08607	48.5
85.02882	11.9
85.06541	4.8
89.06010	16.5
91.05458	43.7
93.07037	90.3
95.04943	32.6
95.08586	25.1
97.02864	4.7
97.06512	17.6
97.10153	5.7
99.04447	8.1
105.04527	3.9
105.07008	35.5
107.04937	26.7
107.08584	51.5
109.06507	32.7
109.10139	4.8
111.04433	11.9
111.08051	9.0
117.07001	28.3
119.08589	32.0
121.06510	13.2
121.10138	25.4
123.08047	35.6
125.05936	7.4
125.09576	4.2
129.06935	5.7
130.07765	8.5
131.08543	11.1
133.08592	7.3
133.10103	7.5
135.04446	3.1
135.08052	4.1
135.11678	48.8
137.09596	3.5
143.08527	3.8
145.06451	3.6
145.10109	48.0
147.08060	8.1
153.12726	10.4
155.08516	7.3
163.11160	100.0
173.09619	12.1
177.08862	7.2
181.12206	15.1
191.10632	11.6
209.11731	24.3
227.12686	15.3
255.10181	3.3
283.09735	4.4
283.15341	81.6
283.20389	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	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03928	6.0
55.01622	2.5
55.01863	39.8
55.05504	61.9
57.03431	56.4
57.07042	5.2
59.04973	7.6
65.03922	2.6
65.24767	1.6
67.05496	44.1
69.03413	2.3
69.07050	14.5
69.76588	6.6
71.01342	2.6
71.04987	11.3
71.05307	1.9
71.08588	2.5
79.05483	62.9
81.03407	33.3
81.07044	51.9
83.01325	38.7
83.04527	3.0
83.04972	44.1
83.08611	37.5
85.02897	11.0
85.06501	4.3
89.06006	4.4
91.04936	2.9
91.05471	47.0
91.06036	3.9
93.07034	71.9
95.04948	21.7
95.08580	25.8
97.02840	5.5
97.06524	13.6
97.10164	4.6
99.04417	7.4
103.05422	1.8
105.04477	2.4
105.07018	29.0
107.04937	20.7
107.08573	39.2
109.06490	22.6
109.10114	6.2
111.04424	10.1
111.08022	5.3
117.07002	23.8
119.08559	21.1
121.06522	13.1
121.10121	30.4
123.08046	28.1
125.05962	3.9
125.09562	5.9
129.06958	4.8
130.07741	3.8
131.08521	9.0
133.08604	2.5
133.10059	10.0
135.08054	3.3
135.10750	3.1
135.11678	41.5
137.09592	5.0
139.07364	3.1
143.08490	3.0
145.10110	48.0
147.08003	5.2
147.11671	3.6
148.24484	2.0
149.09546	4.3
153.12717	15.3
155.08513	2.9
163.11166	83.0
173.09584	13.8
177.08801	2.0
181.12198	16.6
191.10655	12.8
209.11699	22.0
227.12663	12.9
255.10124	3.7
256.65219	2.2
283.15295	100.0
283.20306	3.6
284.33014	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	284.0916
Annotation	Marcanine B
Peak:m/z	Relative Intensity
50.01583	0.3
51.02375	0.6
52.00680	0.3
53.03944	2.6
55.05503	0.4
57.03431	0.4
57.07061	1.3
67.05522	0.4
70.06590	1.5
71.08629	0.8
71.43568	0.3
77.03918	2.4
79.05477	0.4
81.07056	0.7
82.81177	0.3
84.41223	0.3
85.10139	0.4
88.07614	1.1
94.04246	0.3
94.86297	0.3
95.04956	14.5
96.03912	0.3
96.05325	0.4
97.06478	0.3
98.97552	0.8
102.09175	1.3
102.45756	0.3
105.03378	100.0
105.04399	6.6
106.03726	1.8
110.03638	0.7
116.98605	0.9
122.03640	0.7
125.05969	0.8
134.23534	0.4
135.03044	0.5
137.08334	0.4
138.03114	0.5
150.05495	5.0
181.04948	0.9
206.04465	16.2
207.04849	0.5
212.07027	1.8
240.06531	4.6
240.10107	1.6
241.07294	1.1
268.06067	0.9
269.06778	0.9
279.00421	0.4
283.53488	0.4
284.09131	63.1
284.29419	7.9
285.09555	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	284.0989
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01831	0.3
56.96560	3.9
58.06585	0.5
69.02911	0.3
69.03415	0.6
69.84131	0.5
70.06590	1.8
85.02898	0.8
87.04461	0.7
95.04910	0.3
97.02856	0.5
98.22747	0.5
98.97569	12.8
100.97192	0.5
105.05485	0.5
108.08130	0.4
109.05124	0.5
110.03518	1.6
112.07583	1.0
116.98611	8.9
121.06473	1.6
123.49406	0.3
128.04550	0.6
128.98587	0.4
130.93277	1.0
134.99638	3.2
135.03011	4.0
136.00114	0.3
140.07024	0.3
152.05655	100.0
153.00729	0.4
153.04082	6.2
153.05977	1.1
172.94304	1.2
176.05705	0.4
176.62473	0.3
177.00885	0.9
190.95398	1.5
204.10205	1.8
208.96472	0.7
216.98634	0.4
219.01923	1.4
232.96541	0.6
234.99786	0.6
242.98305	0.4
243.01956	0.6
248.95905	0.4
250.97520	0.7
251.08595	0.3
260.95999	1.1
260.99631	3.1
261.03043	5.7
262.03073	0.6
274.97504	0.8
278.97021	0.9
279.00616	5.0
280.95538	0.4
284.11429	0.5
284.14456	2.0
284.29315	0.5
289.96085	0.6
290.96820	0.3
292.98563	0.5
301.98465	0.5
305.34659	0.3
306.93060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.3
68.05048	0.2
69.03411	0.4
69.25665	0.4
69.26071	0.9
70.06580	100.0
71.06926	1.0
73.02629	0.2
81.03387	0.5
97.02871	0.3
99.75033	0.2
109.02851	1.6
112.07586	69.1
113.07965	1.1
116.07064	0.9
118.06556	1.1
121.02841	0.2
122.03175	0.3
127.03877	0.5
134.99657	0.4
140.07040	19.1
141.07344	0.3
145.63104	0.2
146.05980	1.8
158.08107	2.7
162.05261	0.2
167.08534	0.8
176.07094	0.5
177.06967	0.4
178.08688	1.6
179.08603	0.4
181.06367	0.2
189.06915	0.3
195.07996	1.2
207.07993	1.0
223.07379	1.2
224.08432	0.3
232.34464	0.2
235.07501	1.2
242.10152	0.4
255.10069	0.8
260.99374	0.2
261.02948	0.3
266.10092	0.6
267.09979	0.4
279.00436	0.4
284.12897	5.3
284.29379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.5
55.01855	4.5
55.05502	25.8
57.03426	57.7
57.07072	5.2
60.08153	2.9
64.46564	2.2
65.03920	2.8
67.05493	40.3
69.03403	9.4
69.07057	12.4
70.55677	5.7
71.04971	12.7
77.47794	2.4
79.05476	35.9
81.03406	100.0
81.07043	54.4
83.04970	17.7
83.08599	36.9
85.02888	86.3
85.06537	3.6
91.05467	45.1
93.07024	28.5
95.04955	45.5
95.08596	20.5
97.02910	4.5
97.06516	8.0
97.10154	4.9
99.08073	3.9
105.07009	40.9
107.04911	4.0
107.08578	10.2
109.06480	6.5
109.10133	5.9
111.04420	5.7
111.08056	18.7
113.05978	6.1
117.07012	3.3
117.23672	2.8
119.08567	32.6
121.10114	18.3
123.08026	5.0
123.11657	4.5
129.06978	17.1
131.08533	18.2
133.06343	3.5
133.10123	18.7
142.07738	3.2
145.10121	3.9
147.08017	3.8
147.11649	27.4
149.09624	9.5
157.10065	21.5
159.07948	2.9
165.12799	5.4
175.11142	23.7
193.12213	89.1
194.12666	3.1
204.25308	2.8
211.13252	67.2
212.13507	3.7
284.33133	4.2
285.16840	58.1
285.21750	3.1
285.29828	3.2
285.33432	5.0
286.17288	3.1
286.31009	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47433	0.7
55.01868	10.2
55.05502	13.1
57.03431	18.0
57.07069	2.1
59.04996	1.2
65.03938	1.8
65.46761	0.9
67.05497	36.9
69.07062	19.3
69.97236	0.9
70.07394	1.0
70.69054	1.0
71.04992	4.1
73.02893	1.0
78.49057	0.8
78.52503	0.8
79.05479	18.5
81.03410	2.0
81.07047	100.0
82.07391	1.5
83.04969	6.0
83.08604	9.1
83.50063	0.9
85.02879	1.0
85.06533	5.2
89.66230	0.8
91.05463	23.6
93.07040	14.0
95.04956	5.1
95.08597	28.8
95.09210	1.5
97.06522	7.9
97.10123	0.9
99.04415	1.4
99.08076	4.7
101.06013	0.9
105.07019	32.2
105.07732	1.6
107.08584	12.7
109.06509	5.0
109.10136	2.2
111.08089	1.1
113.06020	1.3
115.07557	0.9
119.07248	0.9
119.08567	26.8
121.10128	20.8
123.08018	4.8
123.11691	28.0
126.29686	1.0
127.07570	4.5
129.06963	1.3
131.08589	2.7
133.10091	1.4
137.09598	0.9
137.13231	3.6
141.09081	0.9
142.07747	1.0
143.08519	1.2
145.10190	0.9
147.11667	80.4
148.11971	2.4
149.09596	1.6
157.10132	2.2
165.12737	44.7
166.13123	1.3
175.11281	1.0
183.13795	4.9
193.06471	1.4
193.12164	2.1
197.13516	0.8
225.09140	1.2
225.83289	0.9
229.14352	5.3
243.11272	2.1
245.14197	0.9
253.08507	1.8
267.15918	9.0
285.11737	1.8
285.16949	32.7
285.21704	4.2
286.17258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01867	5.0
55.05502	34.5
57.03429	61.2
62.33387	1.5
65.03932	4.7
67.05496	54.1
69.03419	9.3
69.07053	13.0
69.31514	8.4
70.06582	14.2
71.04996	11.8
71.06913	3.4
79.05479	48.2
81.03406	100.0
81.07047	64.1
81.07542	1.9
82.07388	1.9
83.04967	26.2
83.08605	31.3
85.02892	90.1
85.06533	3.4
91.05466	62.2
93.07027	32.1
95.04953	44.9
95.05515	2.7
95.08585	22.2
97.02891	5.3
97.06519	9.5
97.10165	5.6
98.23487	3.1
105.07015	47.6
107.04953	8.6
107.08570	17.1
109.06505	10.4
109.10150	6.9
111.04443	4.4
111.08058	20.4
112.07577	5.4
113.06004	7.8
113.07904	2.8
115.05480	2.0
116.06178	2.0
116.58335	1.6
117.06993	3.7
119.08568	34.3
120.47197	1.6
121.06537	2.5
121.10133	19.6
123.08037	5.0
123.11660	5.1
125.09640	1.8
129.06958	17.1
129.07671	1.5
131.08537	18.7
133.06485	3.9
133.10103	20.4
135.11717	2.0
137.09624	3.6
142.07761	4.9
143.08549	3.3
145.10106	4.9
147.08057	3.3
147.11664	27.8
149.09586	8.8
157.10106	23.1
163.11209	2.0
165.07047	2.4
165.12721	7.3
175.11165	22.4
181.06467	1.7
193.06493	2.4
193.12213	74.0
194.12592	3.1
210.06769	3.0
211.13246	53.7
225.09103	3.6
253.08514	3.2
267.15894	5.5
267.21191	2.9
285.11313	4.7
285.16904	53.1
285.22083	6.2
286.17377	3.1
286.23502	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	285.2209
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
55.05499	27.1
57.07068	12.7
67.05487	33.9
69.07066	69.5
69.77573	27.5
69.77914	21.4
71.04975	15.1
75.62292	11.2
78.03125	10.2
79.05477	29.3
81.07059	59.7
82.40042	10.9
83.08630	23.6
88.50989	10.7
91.05467	32.6
93.07030	35.8
95.08605	69.5
97.06519	23.3
98.23384	15.5
99.55763	10.6
101.10712	10.2
105.07021	82.9
107.08562	47.4
109.06509	29.7
109.10151	37.3
119.08554	100.0
121.06488	26.1
121.10125	42.6
123.11687	25.0
131.08495	17.2
133.10106	59.2
135.11650	24.7
145.10141	27.7
146.07240	13.4
147.11632	18.2
157.10135	11.4
159.11627	15.9
160.20674	10.3
161.09608	86.3
171.11656	15.2
175.14792	80.5
177.16365	13.8
189.02513	10.6
211.14854	20.7
226.64293	13.1
256.27875	12.2
265.73648	10.0
285.22098	52.3
285.33417	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	285.2419
Annotation	Tanikolide
Peak:m/z	Relative Intensity
50.94063	1.0
53.99834	0.8
55.05502	10.1
56.72331	0.9
57.03429	25.7
57.07066	71.3
59.04993	1.4
62.06081	2.3
67.05492	18.1
68.13257	0.9
68.99677	0.8
69.07055	19.8
71.04965	1.0
71.08617	47.7
72.08128	1.2
79.05478	2.0
81.03414	1.3
81.07040	21.2
83.04975	2.6
83.08604	7.8
85.02877	1.4
85.06516	1.4
85.10165	24.4
85.69858	1.0
86.06029	1.0
88.02168	1.6
89.06012	3.9
91.05468	4.3
91.50002	1.0
93.07043	2.6
95.08588	32.8
97.10156	5.5
98.22600	2.2
99.11758	1.3
103.07568	3.0
105.07011	1.7
107.08548	0.9
109.10148	15.8
111.11682	4.1
121.10094	1.5
123.11668	7.1
131.08566	1.2
131.10608	0.9
137.13251	3.0
147.11662	2.0
193.12102	1.4
211.20518	5.4
229.21626	8.1
268.29938	1.6
285.24194	100.0
286.24377	3.0
286.30984	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0707
Annotation	Marcanine D
Peak:m/z	Relative Intensity
54.03465	0.3
60.23420	0.2
65.03927	3.4
67.05476	0.3
68.99776	0.4
69.84583	0.5
69.84937	0.5
81.07014	0.3
82.02921	1.0
82.06567	0.7
92.04977	1.4
93.03387	1.8
95.03679	2.1
108.04514	0.3
110.02370	1.1
110.06026	3.8
111.04404	1.6
120.04438	0.7
121.02843	64.7
122.03193	1.1
123.03152	6.5
133.51187	0.2
136.03888	0.6
136.07576	0.8
138.05470	0.4
148.03955	0.3
151.02603	9.2
153.01828	1.5
157.06450	0.3
164.07030	0.6
165.01866	0.5
166.04964	100.0
167.05342	2.5
169.03671	20.8
170.04044	0.3
177.00562	1.4
192.02873	15.8
193.03223	0.4
195.01587	3.8
211.43716	0.3
213.05333	0.4
227.05667	1.3
242.07988	0.4
243.05238	0.5
271.04620	2.1
283.14807	0.3
286.07047	75.2
287.05179	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	287.0521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98157	2.5
55.01867	11.8
55.50608	2.6
56.96561	37.8
57.03434	37.0
60.50963	2.4
61.02914	22.8
63.00037	6.3
63.48070	2.6
69.03426	50.8
69.30872	9.6
69.31278	3.6
70.03774	2.9
70.06575	5.1
71.04993	3.1
73.02906	42.8
74.97612	3.1
75.63670	2.9
76.22504	3.3
79.77432	2.5
81.03416	14.1
83.00803	3.3
84.08133	4.4
84.96021	4.5
85.02892	100.0
86.06072	2.7
87.04475	10.0
91.03947	5.7
91.19994	2.9
97.02884	49.6
98.23490	3.2
98.97572	90.9
98.98515	5.1
99.04442	9.7
101.00764	7.0
102.67060	2.5
104.01321	5.2
109.02876	10.1
110.01286	18.4
110.97551	32.3
112.60802	2.9
113.02387	14.1
114.05534	6.7
115.03899	3.1
116.01257	4.7
116.98607	38.2
117.02056	4.4
119.01783	37.9
122.01289	4.4
124.99161	3.2
127.03917	28.9
128.01440	2.9
128.02290	16.1
128.98599	42.5
129.02060	2.8
130.68413	2.7
130.93279	3.0
131.01805	11.5
134.99629	11.4
137.01804	5.5
137.02776	4.1
140.02293	12.8
140.98586	6.5
143.00188	8.4
143.01810	4.5
145.01515	3.6
145.04958	14.9
146.02299	24.3
146.99626	24.4
147.03181	3.0
149.02858	6.8
152.02280	19.5
153.03064	3.2
155.00131	4.5
155.02864	16.6
158.99634	30.8
160.97627	3.5
161.01212	9.7
161.02832	21.6
165.00681	4.3
167.02856	3.1
168.98064	3.2
169.02635	4.8
170.03380	10.1
170.99641	37.9
173.01302	4.4
173.02750	5.9
175.02634	3.9
176.03424	3.5
177.00710	23.0
182.03326	61.5
182.99672	5.7
184.97575	5.7
186.99129	8.9
189.00690	40.9
190.95396	4.3
190.98589	3.1
191.02365	3.1
191.03847	84.7
191.54036	8.4
197.02072	12.1
200.04387	48.3
200.54546	4.5
201.00687	16.8
202.98627	6.6
205.00246	9.3
206.02585	39.9
207.01775	6.2
209.04877	6.6
210.99286	4.8
215.03111	32.6
219.01718	23.0
229.00153	4.7
230.97977	13.6
231.01686	4.9
232.96429	3.1
237.02760	15.7
243.01727	4.2
243.23798	3.1
247.01184	6.1
248.99184	17.2
249.02795	2.9
257.01291	3.4
261.02768	12.7
267.00192	8.4
272.99161	6.6
279.03732	4.7
284.84875	2.8
287.12970	6.1
291.00107	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18121	0.1
55.01854	0.1
55.05492	0.1
57.31371	0.1
65.03932	0.5
67.01850	0.3
67.05510	0.1
68.99780	2.5
69.03413	0.3
69.07053	0.2
69.11401	0.5
70.92189	0.1
71.01343	0.1
77.03942	0.1
79.05489	0.6
81.03410	0.3
81.07039	0.2
85.02882	0.1
89.61166	0.1
91.05461	0.2
93.03407	0.1
93.07057	0.1
95.04966	0.4
95.08585	0.2
97.02873	0.1
103.05459	0.3
105.03369	0.9
105.07009	0.2
107.04945	1.0
107.08577	0.2
109.02860	0.7
109.10123	0.1
111.00787	1.6
111.04436	0.6
112.02570	0.1
115.05427	0.2
117.06967	0.1
119.04934	0.2
119.08511	0.1
121.02853	12.5
121.03882	0.5
121.10149	0.1
122.03191	0.1
127.03869	0.3
128.06216	0.2
129.01840	0.1
129.06992	0.4
133.02852	1.1
135.04381	0.3
135.07999	0.1
135.11629	0.1
136.01517	0.1
136.03909	1.5
137.02318	2.2
141.06973	0.3
145.02834	0.1
145.06465	0.6
145.10117	0.2
147.04404	1.4
151.03865	0.1
153.01804	10.8
154.02180	0.1
155.04715	0.1
155.06076	0.1
157.06462	1.4
160.05211	0.1
161.05975	0.4
162.01837	0.1
165.01819	3.8
166.02313	0.1
167.08514	0.1
167.16933	0.1
168.06548	0.7
169.06552	0.2
171.03004	0.2
171.04378	0.6
173.06082	0.1
175.03839	0.2
175.07602	0.2
179.03407	0.1
183.02870	1.7
184.05049	0.2
185.05949	1.2
189.05443	0.3
191.03244	0.1
194.02087	0.1
195.04198	0.1
195.08049	0.2
197.05901	0.4
199.03841	0.1
201.05380	0.2
203.03400	0.2
203.06970	0.3
213.05429	3.1
215.26610	0.1
216.04134	0.2
217.04880	0.1
219.06619	0.1
227.10762	0.1
229.04929	0.4
230.05569	0.1
231.06470	1.3
241.04895	1.9
242.05647	0.1
243.06386	0.2
245.04326	0.1
256.06049	0.6
258.05203	2.1
259.05957	1.0
269.04349	0.5
269.22403	0.1
286.22614	0.1
287.05450	100.0
288.05774	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03932	0.2
65.03943	0.3
67.01846	0.5
68.99776	2.2
69.03416	0.2
71.18163	0.1
73.75926	0.1
79.05490	0.8
80.05855	0.2
81.03385	0.3
81.07033	0.2
87.37124	0.1
91.05457	0.2
91.30106	0.1
93.07008	0.2
94.04161	0.1
95.01395	0.1
95.04945	0.5
95.08601	0.3
97.02889	0.2
103.05442	0.3
105.03365	0.8
105.07009	0.4
107.04937	1.5
107.08546	0.2
109.02861	0.8
109.10133	0.3
110.61235	0.2
111.00785	1.3
111.04424	0.5
115.05435	0.3
117.07027	0.3
119.04924	0.2
119.08521	0.3
121.02854	7.3
121.03880	0.4
121.10126	0.2
127.03890	0.3
128.06305	0.2
129.06989	0.5
131.08530	0.2
133.02829	0.9
135.04401	0.4
137.02336	2.3
141.06956	0.4
145.06519	0.7
145.07422	0.1
145.10046	0.2
147.04398	1.6
153.01807	11.1
157.06456	1.3
159.11723	0.2
161.05963	0.4
165.01807	3.6
165.03146	0.2
171.04382	0.5
183.02872	2.0
185.05980	1.1
197.05931	0.4
201.05405	0.3
203.03516	0.2
203.06943	0.3
212.04617	0.2
213.05432	3.3
216.04173	0.2
219.06572	0.2
229.04846	0.3
231.06511	1.2
233.87950	0.1
241.04889	1.8
243.06717	0.2
258.05197	2.2
259.05997	0.9
269.04355	0.3
269.19196	0.1
269.22668	0.2
286.22437	0.3
287.05453	100.0
287.23575	0.4
288.05798	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82876	0.1
55.01859	0.2
56.29802	0.1
62.13555	0.1
63.62537	0.1
65.03932	0.5
67.01835	0.3
67.05487	0.1
68.65504	0.1
68.99784	2.3
69.03422	0.2
69.16546	0.4
77.03921	0.1
79.05483	0.9
79.28792	0.1
81.03410	0.5
81.07057	0.2
91.05493	0.2
93.03429	0.1
94.04156	0.1
95.04958	0.5
95.08571	0.2
97.02850	0.1
103.05403	0.3
105.03378	0.9
105.07030	0.1
107.04944	1.5
107.08567	0.1
109.02865	0.8
109.10165	0.2
111.00792	1.5
111.04427	0.5
115.05437	0.2
117.07001	0.2
119.04962	0.2
119.08561	0.1
121.02856	7.6
121.03927	0.5
121.10120	0.1
123.04394	0.1
123.11686	0.1
127.03905	0.4
128.06216	0.2
129.06985	0.4
131.08560	0.1
133.02872	1.0
133.06473	0.1
133.10159	0.1
135.04387	0.4
136.01563	0.2
136.81456	0.1
137.02325	2.0
139.05460	0.2
141.06970	0.2
143.04861	0.1
145.06505	0.7
145.09985	0.1
147.04379	1.4
149.02382	0.1
153.01808	11.4
154.02170	0.3
157.06453	1.5
159.11615	0.1
161.06006	0.5
165.00417	0.2
165.01816	3.8
166.02463	0.1
169.06523	0.2
171.04385	0.6
175.03937	0.2
175.07550	0.2
183.02869	1.8
184.05121	0.1
185.05960	1.2
189.05440	0.3
191.03229	0.1
197.05887	0.1
201.05371	0.1
203.03311	0.2
203.07040	0.3
212.04587	0.1
213.05437	3.4
214.05940	0.1
216.04123	0.2
229.04948	0.4
231.06483	1.1
241.04926	1.8
242.05666	0.2
243.06479	0.3
245.04504	0.2
258.05215	2.4
259.05936	0.9
269.04407	0.5
269.07007	0.1
286.04657	0.1
287.05460	100.0
287.23459	0.5
288.05807	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
65.03941	0.2
67.01849	0.4
68.99781	2.7
69.03426	0.3
69.44571	0.1
71.04377	0.2
73.14077	0.1
79.05489	0.8
81.03419	0.3
81.07043	0.2
91.05487	0.2
93.07021	0.2
95.04942	0.5
95.08597	0.2
103.05445	0.3
105.03368	0.8
105.04463	0.2
105.07015	0.3
105.91803	0.1
107.04922	1.2
107.08544	0.2
109.02842	0.9
109.10115	0.2
111.00785	1.6
111.04415	0.6
115.05417	0.3
119.04906	0.2
121.02855	6.8
121.03780	0.2
122.03183	0.2
127.03913	0.2
129.07013	0.4
133.02831	0.9
135.04388	0.4
137.02318	2.1
141.07005	0.4
141.16006	0.1
145.06474	0.7
147.04362	1.7
153.01801	11.7
157.06456	1.6
161.05974	0.4
161.93190	0.2
165.01808	4.0
171.03107	0.1
171.04352	0.9
173.05872	0.2
175.03864	0.2
175.07549	0.2
183.02904	1.6
185.05919	1.0
186.81950	0.2
189.05508	0.4
197.05994	0.3
203.03348	0.2
203.07004	0.4
213.05432	3.5
227.98767	0.2
229.04924	0.3
231.06458	1.5
241.04890	1.6
243.06421	0.2
258.05231	2.3
259.05878	0.8
260.28595	0.2
269.04385	0.3
269.22412	0.2
287.05447	100.0
287.23608	0.6
288.05789	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30976	0.2
65.03920	0.5
67.01856	0.4
67.60102	0.2
68.99781	2.1
69.03414	0.3
77.03898	0.2
79.05479	1.0
81.03403	0.3
81.07016	0.3
87.96049	0.2
91.05486	0.2
95.04951	0.6
97.06574	0.2
98.22582	0.4
105.03381	0.9
105.07034	0.5
107.04984	1.3
107.08620	0.2
109.02861	0.9
109.10184	0.3
111.00794	1.8
111.04433	0.4
115.05449	0.2
117.06980	0.4
119.04916	0.3
119.08585	0.2
121.02856	6.8
121.03920	0.6
126.04446	0.2
127.03894	0.4
129.07001	0.4
133.02844	0.5
135.04414	0.4
136.01590	0.2
137.02330	2.1
141.06984	0.4
145.06435	0.5
147.04385	1.4
153.01808	10.5
154.02066	0.2
157.06476	1.0
161.05923	0.4
165.01830	3.6
171.03053	0.2
171.04419	0.8
183.02905	1.7
184.05223	0.2
185.05989	1.4
189.05434	0.3
197.06044	0.2
213.05435	3.1
231.06453	1.5
241.04988	1.3
258.05237	2.4
259.05988	1.0
269.04364	0.2
287.05460	100.0
287.23615	0.5
288.05786	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	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
62.82575	0.1
65.03947	0.3
67.01842	0.4
68.99780	2.4
69.03414	0.2
79.05477	0.6
81.03402	0.5
95.04952	0.5
103.05440	0.2
105.03394	0.8
105.06956	0.2
107.04929	1.3
109.02873	0.8
110.57948	0.1
111.00778	1.8
111.04431	0.6
115.05388	0.2
117.06985	0.2
119.04916	0.2
121.02849	6.6
121.03885	0.4
121.06475	0.1
122.03116	0.2
127.03865	0.3
129.07010	0.3
133.02824	0.9
135.04353	0.3
137.02338	1.9
141.06958	0.3
145.06444	0.5
147.04387	1.6
153.01802	10.6
157.06456	1.3
160.05067	0.1
161.05969	0.5
165.01810	4.1
171.04376	0.5
183.02888	1.7
184.05122	0.1
185.05937	1.0
189.05426	0.2
197.05977	0.3
199.03821	0.2
203.07047	0.3
213.05443	2.8
216.04210	0.2
229.04977	0.4
231.06490	1.4
241.04921	1.6
243.06384	0.2
258.05215	2.2
259.05960	0.6
269.04376	0.2
287.05444	100.0
288.05768	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.2
57.67675	0.1
65.03933	0.4
67.01875	0.2
67.36092	0.2
67.99901	0.1
68.99775	2.5
69.03405	0.2
69.52155	0.2
69.79727	0.4
74.42080	0.1
79.05481	0.7
81.03401	0.3
81.07034	0.5
91.05469	0.3
93.03397	0.2
93.07025	0.3
93.53247	0.1
94.57117	0.1
95.04937	0.5
95.08603	0.3
103.05464	0.3
105.03393	1.1
105.07013	0.4
107.04942	1.2
107.08586	0.3
109.02857	0.9
109.10125	0.4
111.00784	1.8
111.04395	0.5
115.05427	0.2
117.00377	0.1
117.07003	0.2
118.37312	0.1
119.04921	0.3
119.08569	0.4
121.02853	7.3
121.03894	0.5
127.03907	0.3
128.06146	0.1
129.06953	0.4
131.08600	0.1
133.02858	0.9
135.04384	0.4
137.02330	2.4
141.06987	0.5
145.06410	0.8
145.10066	0.2
147.04398	1.3
147.11641	0.2
153.01810	11.2
157.06473	1.8
161.05963	0.5
165.01813	3.8
169.06491	0.2
171.04416	0.7
175.03873	0.2
176.45714	0.1
183.02867	1.8
185.06013	1.0
189.05481	0.4
194.02177	0.2
197.05946	0.3
199.03873	0.2
203.03391	0.2
203.07051	0.3
213.05443	3.4
214.05940	0.2
216.04109	0.2
229.04858	0.4
231.06459	1.4
241.04916	1.7
242.05832	0.2
258.05237	2.1
259.06003	0.9
269.04364	0.3
287.05457	100.0
287.23624	0.5
288.05753	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Kaempferol
Peak:m/z	Relative Intensity
51.00068	0.1
51.72524	0.1
53.03933	0.1
65.03918	0.5
67.01855	0.4
68.99420	0.2
68.99780	2.7
69.03403	0.4
79.05483	1.0
81.03424	0.3
81.07043	0.2
91.05459	0.2
95.04942	0.5
97.02872	0.2
103.05466	0.2
105.03381	0.9
105.04498	0.3
105.07019	0.2
107.04937	1.3
109.02866	1.1
109.10161	0.2
111.00781	2.1
111.04432	0.6
115.05385	0.3
117.06966	0.2
119.04878	0.2
121.02845	7.4
121.03899	0.4
121.06465	0.2
127.03891	0.3
128.06184	0.2
129.06984	0.6
133.02843	1.0
135.04370	0.2
135.08131	0.1
136.01555	0.1
136.07567	0.6
137.02321	2.4
141.06964	0.4
143.04855	0.1
145.06470	0.7
147.04381	1.5
153.01801	12.8
154.02122	0.3
157.06459	1.6
161.05957	0.4
164.07034	0.4
165.01811	3.7
167.04808	0.1
169.06467	0.1
171.03021	0.3
171.04399	0.9
173.05908	0.1
175.03809	0.2
175.07500	0.1
177.09894	0.1
179.03316	0.2
183.02858	1.8
183.04369	0.2
184.05124	0.1
185.05936	1.3
189.05486	0.3
197.05911	0.3
199.03809	0.2
201.05504	0.2
203.03453	0.3
203.07057	0.3
213.05437	3.6
214.05838	0.2
216.04173	0.2
229.04922	0.5
231.06462	1.3
241.04874	1.8
242.05754	0.2
243.06488	0.3
258.05176	2.7
259.05991	0.9
269.04279	0.3
270.82413	0.1
287.05441	100.0
288.02597	0.3
288.05792	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Fisetin
Peak:m/z	Relative Intensity
65.03939	0.4
67.01842	0.5
68.99776	2.4
69.87753	0.2
79.05479	0.7
81.03422	0.3
81.87071	0.2
95.04935	0.4
98.23516	0.4
103.05418	0.3
105.03368	0.8
107.04958	1.2
109.02856	0.8
109.80874	0.2
109.83685	0.2
111.00785	1.5
111.04421	0.5
115.05437	0.2
115.91512	0.2
121.02844	7.7
121.03802	0.3
127.03903	0.2
129.06995	0.4
133.02835	1.2
135.04453	0.4
137.02318	2.3
141.06921	0.4
145.06470	0.7
147.04381	1.2
153.01802	11.9
154.02167	0.2
157.06458	1.3
160.08539	0.2
161.05920	0.5
165.01819	3.7
167.05042	0.2
169.06490	0.3
171.04449	0.4
175.03839	0.2
175.07541	0.2
183.02869	1.5
185.05978	1.2
189.05403	0.3
197.06000	0.3
203.06982	0.4
208.19650	0.2
213.05411	3.1
227.33876	0.2
229.04900	0.6
231.06447	1.3
241.04938	1.3
242.05516	0.2
245.04399	0.2
258.05206	2.4
259.05957	0.9
269.04486	0.3
287.05447	100.0
288.05798	3.4
290.40256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24718	0.4
56.96560	3.2
57.45957	0.4
70.98116	1.3
72.08138	0.6
73.23676	0.5
98.97594	1.3
115.74680	0.5
116.98594	0.9
128.98570	0.4
130.93266	0.8
135.33278	0.4
155.00107	0.9
172.94318	2.0
173.01288	0.8
186.99178	0.7
190.95300	2.6
208.96310	0.7
214.95326	0.6
218.30211	0.4
219.01730	1.2
232.96313	2.9
244.99670	0.9
250.97464	1.3
263.00739	2.0
287.10971	100.0
288.11337	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	287.1638
Annotation	Methallenestril
Peak:m/z	Relative Intensity
53.03928	1.2
55.01862	10.5
55.05487	4.4
57.03421	3.6
57.07066	33.0
59.04998	13.4
65.03922	1.7
65.59243	1.0
66.99686	1.0
67.05492	29.0
68.99802	1.5
69.03422	4.9
69.07054	6.3
70.06572	1.2
71.44639	1.4
72.08138	2.9
77.03951	1.2
79.05479	4.5
81.03410	8.8
81.07036	7.0
83.04973	5.7
85.06531	49.7
86.09676	1.5
91.05462	14.1
93.07029	6.1
95.04954	15.1
103.05481	1.4
105.04501	1.3
105.07020	13.9
107.04952	5.5
107.08575	5.7
109.06484	2.5
109.10135	1.3
113.05997	11.8
115.05450	3.7
115.07558	5.4
116.06177	2.3
117.06994	6.1
119.04901	1.5
119.08546	9.9
121.02834	3.8
121.06490	5.3
121.10107	2.5
122.06021	1.7
123.04392	3.4
123.11694	2.9
124.54873	1.0
128.06215	5.6
129.06992	11.0
130.07765	1.4
131.04906	1.3
131.08553	12.8
132.09308	1.1
133.06459	3.9
133.10114	10.7
134.10454	1.1
135.08025	3.3
137.02361	1.5
140.07060	1.6
141.06956	5.1
142.07758	18.3
143.08540	22.8
144.09334	1.6
145.06491	7.0
145.10112	8.3
146.07253	3.1
147.08031	1.9
147.11642	1.8
148.07550	1.9
149.05975	1.2
149.09575	1.4
151.11137	2.8
152.06155	1.5
153.01810	4.7
153.06950	1.7
155.08527	5.3
156.09319	10.0
157.06470	6.0
157.10095	30.2
158.07219	4.7
158.10762	1.3
159.08034	21.5
159.11671	5.0
160.08810	9.6
161.09590	69.9
162.10078	1.4
163.07478	1.8
165.01753	1.9
165.05515	2.1
165.06935	3.5
166.07768	5.7
167.07025	2.7
167.08492	3.6
168.09236	1.2
169.06461	2.7
169.10081	3.2
170.07251	2.0
170.10927	2.1
171.04420	1.2
171.07993	7.8
171.11655	16.3
172.12393	1.6
173.09586	13.2
173.13206	2.1
175.07658	1.2
175.11108	5.5
179.10661	1.4
181.10097	11.2
182.10901	2.3
183.08040	1.9
183.11646	3.5
184.08824	6.3
185.09583	67.8
185.13078	2.6
186.10156	4.0
193.10136	2.2
195.10071	1.6
195.11632	1.6
197.09540	8.5
197.13170	2.1
198.10318	1.5
199.11153	56.6
199.14778	2.8
200.11882	9.6
203.10632	4.2
203.14284	2.1
208.12407	3.7
209.13074	1.3
211.11229	1.6
211.14748	1.8
213.16270	3.2
223.14767	4.8
226.13742	1.2
227.14108	1.7
228.98363	1.1
241.15817	21.7
242.16164	1.1
243.13637	1.3
245.09181	1.0
259.16898	2.4
259.32751	1.1
269.15274	12.2
270.10251	1.1
287.05466	46.3
287.09055	3.3
287.16360	100.0
288.05795	2.2
288.08801	1.7
288.16788	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	288.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.8
67.05466	0.2
70.57838	0.2
70.58147	0.3
81.03397	0.4
81.07011	0.2
87.89445	0.2
93.03394	1.8
93.48475	0.2
95.35674	0.2
108.04463	3.3
111.04449	1.3
121.02852	100.0
122.03167	1.8
136.03920	31.2
137.04263	0.6
153.01854	0.4
154.02132	0.5
162.01779	1.4
168.06543	13.2
169.06909	0.3
256.06027	10.4
257.06439	0.4
288.05798	7.4
288.08627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29350	10.1
56.25456	8.5
56.96551	50.2
70.06581	11.2
70.25224	17.2
70.25597	8.9
71.77516	7.3
74.15115	7.4
74.85822	8.2
85.02885	8.9
86.09692	10.6
98.97571	73.0
112.49211	8.1
116.98598	41.1
119.01936	25.4
128.98506	8.7
130.93298	20.0
134.99713	8.2
161.02945	21.5
172.94330	34.5
174.99141	17.9
177.38112	7.4
190.95380	35.5
206.06953	11.3
216.96881	16.7
217.01953	11.8
230.07001	12.3
232.96439	9.3
246.98056	19.6
248.07951	15.7
248.36409	8.8
264.99146	15.1
274.97525	12.7
289.06662	100.0
289.11737	10.9
289.20953	9.5
292.98383	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	289.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.4
55.01859	1.5
55.05484	0.9
55.10308	0.7
55.29186	0.7
57.03415	3.3
61.02907	3.0
65.60529	0.8
67.05516	0.7
69.03423	35.2
69.07053	1.8
71.04986	8.6
71.44274	1.0
73.02908	3.2
79.05492	1.1
81.03407	31.5
81.07033	2.7
83.04948	1.9
85.02896	57.4
86.03174	0.8
91.05433	1.0
93.07018	0.7
95.04973	1.3
95.08559	1.2
97.02882	36.4
98.97590	1.0
99.04446	54.7
100.04806	0.9
103.03932	49.7
104.04268	0.9
105.07001	0.9
107.08538	1.0
109.02867	33.4
109.06464	0.9
110.03249	1.1
112.11211	0.9
115.03946	1.5
127.03901	100.0
128.04181	2.0
130.12291	4.3
131.08601	0.7
143.00056	0.9
145.04956	12.9
153.03145	0.8
153.12720	0.9
163.05998	1.0
163.74059	0.7
169.04967	1.9
182.03171	0.7
187.06009	11.6
195.52930	0.8
197.01129	1.8
209.15208	1.0
249.02751	0.8
253.07040	1.9
271.07956	1.5
289.11456	2.3
289.17844	1.1
291.03714	1.1
298.16797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03944	9.4
55.01863	2.0
55.05494	1.2
57.03426	3.4
60.10763	0.8
61.01155	1.0
61.02914	2.2
64.41510	0.8
67.05487	1.8
69.03423	34.0
69.07044	0.9
70.06584	6.3
71.01336	1.0
71.04979	8.4
72.08142	2.0
73.02912	2.4
79.05484	2.1
81.03409	32.7
81.07053	3.8
83.04988	0.9
84.08147	3.5
85.02896	65.9
85.06522	1.5
86.03239	0.8
86.67242	0.7
87.04434	0.8
91.05483	1.6
93.07024	1.9
95.08598	1.7
97.02884	37.7
99.04445	55.8
101.02344	0.8
103.03931	50.5
105.07027	1.2
107.08582	0.8
109.02867	31.9
109.10139	1.7
111.04422	1.5
117.06961	0.7
118.06860	5.1
119.08540	1.2
120.55756	0.8
121.10118	1.5
127.03901	100.0
128.04224	1.7
129.10228	2.7
130.06506	2.4
131.08525	0.9
132.08109	0.7
133.10126	1.8
135.11609	0.9
137.05949	0.7
145.04944	15.5
159.09181	3.6
163.05939	0.7
169.05035	1.4
187.05992	10.5
188.06999	1.5
217.19576	0.8
253.07159	1.4
271.08133	1.4
271.16751	0.9
274.15677	0.8
289.06070	2.0
289.17938	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	12.2
55.01871	1.1
55.05493	2.7
56.96556	0.8
57.03421	2.3
60.00682	0.9
61.02909	2.3
67.05486	1.1
69.03419	37.8
69.03798	1.8
69.61931	3.4
71.04684	0.9
71.04993	9.2
72.08131	2.2
73.02908	2.9
73.08430	1.1
73.26734	0.8
75.52869	0.8
79.05478	1.3
81.02956	1.7
81.03407	29.0
81.07067	1.4
81.25964	0.9
83.04974	1.1
85.02892	63.1
85.06554	1.5
88.25951	0.8
91.05457	1.4
97.02879	35.3
98.97558	2.6
99.04439	60.7
100.04752	1.1
103.03927	50.3
109.02862	31.9
109.03628	1.0
112.11226	1.7
115.03874	1.4
121.10192	1.4
127.03896	100.0
128.04224	1.3
130.12263	4.7
130.56500	0.9
145.04924	9.8
167.14436	0.9
169.04918	1.2
174.10028	0.9
187.05963	10.1
249.02731	1.5
253.06966	1.8
267.03815	1.0
271.08118	2.4
289.06110	1.0
291.03870	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	289.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65327	0.5
53.03944	2.9
55.80912	0.5
56.96568	1.0
57.02711	0.6
59.74191	0.6
67.05499	0.5
67.19743	0.5
69.03429	5.5
70.87801	1.1
71.04990	1.6
78.30882	0.6
81.03426	6.2
85.02900	9.4
86.09737	1.2
97.02887	7.9
98.97550	2.0
99.04443	10.5
101.00904	0.8
103.03945	8.2
109.02878	5.8
110.97520	0.5
116.98615	1.1
119.01941	1.2
127.03909	19.0
131.73048	0.5
133.03439	1.1
137.02916	0.5
145.03416	0.8
145.04985	1.6
172.94362	2.2
187.05989	1.1
190.95372	1.7
208.96494	0.9
227.24762	0.5
246.98146	0.7
251.11739	0.6
264.99081	0.8
265.07635	0.6
289.12537	100.0
290.12936	3.1
310.14322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.5
55.05502	8.2
65.30862	3.6
67.05495	16.3
69.03408	8.0
69.07050	14.7
69.34519	20.6
71.04974	14.0
75.05560	4.2
79.05483	25.0
81.07047	53.2
83.04967	14.6
83.08618	7.6
85.02880	4.6
85.06521	7.9
91.05479	17.7
93.07036	67.8
95.04964	21.0
95.08591	36.7
97.06508	35.4
99.04446	21.3
105.07018	35.5
107.04959	6.3
107.08585	27.1
109.06515	34.3
109.10133	5.7
111.08066	23.1
113.05974	7.3
116.32983	3.9
117.07067	3.7
119.08559	28.7
121.06490	87.6
121.10145	8.3
123.08085	7.1
123.11642	9.3
125.05991	12.2
127.07518	11.1
129.06955	7.7
131.08507	7.2
133.06506	5.8
133.10101	26.2
135.08052	14.7
139.07501	24.4
142.07748	5.6
143.07022	6.0
143.08496	9.6
145.10068	3.9
147.08031	6.4
147.11667	61.7
151.11169	6.0
157.08641	11.5
157.10136	16.4
161.09564	4.8
161.13217	14.5
165.12772	18.6
169.12207	18.3
171.11656	10.1
175.11156	31.6
189.12726	24.7
193.12233	38.1
199.11136	26.0
207.13820	22.2
211.13245	29.6
217.12206	100.0
229.14374	7.2
235.13220	74.4
236.13443	5.4
253.14265	40.5
289.05988	46.8
303.56311	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	289.2159
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.81001	0.9
55.01854	2.6
55.05502	16.7
57.07055	1.2
59.04984	4.4
65.03937	1.4
67.05496	22.6
69.07056	14.1
71.04971	1.2
73.06547	1.5
76.44581	1.1
79.05485	19.2
81.07051	23.4
83.04971	3.4
83.08606	8.4
85.06548	8.0
89.04311	1.0
91.05469	54.0
93.07034	21.7
95.04942	3.4
95.08588	17.2
97.06538	1.4
97.10149	2.0
99.08066	1.9
103.05491	2.5
105.04490	1.3
105.07018	68.8
106.07299	1.6
107.04940	1.3
107.08582	12.4
109.06480	3.2
109.10127	6.3
111.08044	1.5
115.05443	1.1
117.06995	17.0
119.04893	1.3
119.08568	56.5
120.08843	1.6
121.06511	1.8
121.10127	6.3
123.04429	1.3
123.08045	2.0
125.09631	2.3
127.07565	1.3
129.07004	5.0
130.07765	1.2
131.08537	19.4
133.10112	35.4
135.08040	2.5
135.11670	3.1
137.09624	1.9
141.06990	2.8
143.08542	4.1
145.06421	1.5
145.10115	18.3
147.08025	1.8
147.11659	25.0
149.09596	2.1
151.11037	1.2
155.08575	1.3
157.10088	6.9
159.07979	1.8
159.11662	19.6
161.09575	2.9
161.13234	11.7
163.11116	2.1
168.09224	1.4
169.10092	2.9
169.16014	1.1
171.11661	4.1
173.09569	1.2
173.13228	14.7
173.18274	1.0
175.11076	1.4
175.14777	2.8
177.12711	1.5
183.11777	5.5
183.13173	1.0
185.13187	2.3
187.11143	2.5
197.13196	4.3
197.95677	1.1
201.12672	3.6
207.36859	1.2
210.19385	1.0
210.52541	1.1
211.14870	2.1
213.16441	2.6
215.14221	1.6
215.17873	2.7
229.15768	2.2
229.19395	1.7
232.29645	1.2
239.17897	7.7
257.18924	14.2
271.16708	1.5
271.20508	1.4
279.11148	1.2
289.17996	10.9
289.21545	100.0
290.21860	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57529	6.5
56.96558	28.3
60.82568	6.2
69.92814	11.3
69.93141	11.9
98.97571	100.0
98.98151	9.1
110.97580	17.3
116.98603	27.4
128.98598	12.6
131.30591	6.8
134.99692	9.7
137.48360	6.4
158.99667	26.8
161.01231	7.0
177.00682	12.4
219.01767	12.2
237.02849	15.4
291.08301	59.8
309.08484	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	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	7.4
60.12894	4.5
66.89443	4.8
69.30816	12.6
69.31209	8.6
70.06560	4.5
78.51361	5.5
87.89706	5.6
94.93023	6.0
96.92818	11.5
98.23432	12.4
98.97599	8.1
147.03130	5.2
179.60631	4.7
209.38768	5.7
215.98479	5.7
246.90033	7.4
248.99123	8.9
268.39307	6.8
291.08292	16.8
291.10754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86799	0.7
55.01872	1.0
55.02992	4.0
55.05498	8.2
60.05629	2.4
67.05470	1.0
69.03411	2.9
70.06580	8.2
72.05627	0.9
72.08144	54.2
77.03915	1.3
79.05492	1.5
81.03400	1.9
85.02858	0.9
86.07150	1.8
90.41427	0.8
91.05453	2.7
93.07066	0.9
95.04958	1.6
97.07049	1.5
97.07641	22.5
98.06037	2.6
98.97572	1.8
99.04467	1.2
100.07589	1.4
105.03378	26.2
106.06527	2.9
107.04947	5.2
114.10272	73.0
115.08669	1.6
115.10610	3.3
116.98586	1.2
117.03359	1.2
118.03648	1.0
118.06514	3.4
119.04908	2.8
120.08143	0.8
122.06020	3.8
123.04371	0.9
127.03913	1.2
131.12923	4.4
132.04427	3.4
133.02827	20.2
134.05997	18.1
135.04306	1.1
137.05908	1.3
143.04861	1.1
145.02763	2.1
146.03119	2.4
147.04384	8.8
150.05467	13.5
160.03929	2.5
160.11171	1.9
162.03204	0.8
162.05489	12.5
162.09113	27.8
163.08487	1.5
176.10712	4.1
177.05450	3.4
178.04918	36.3
188.10681	3.2
189.06650	1.4
190.04976	24.6
191.05266	1.1
197.01302	1.1
201.10379	0.9
203.11806	4.5
204.10179	26.1
218.12823	1.2
229.09715	3.1
231.11288	7.7
231.14851	5.6
232.09648	100.0
233.09937	2.9
233.12383	2.3
246.12440	4.8
248.14644	5.2
249.12257	1.8
263.15033	9.4
273.12314	2.0
274.11829	13.2
291.14410	43.4
291.17087	5.2
292.14954	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02921	0.9
55.05406	3.4
55.05692	1.6
56.96482	0.9
60.05543	2.1
67.05411	0.6
67.05720	0.6
69.06985	1.0
69.55091	2.5
70.06478	4.4
72.08036	19.0
72.08482	2.9
73.03944	1.4
77.03815	3.5
79.05404	1.2
81.03298	1.6
81.06945	0.7
84.08052	0.9
85.02816	0.7
91.05392	1.1
93.06924	0.7
95.04863	1.1
97.02806	1.2
97.07635	5.3
98.05923	2.9
105.03373	13.0
105.06952	0.9
106.06411	2.4
107.04823	2.8
109.02739	1.3
114.10271	12.0
115.08678	8.4
115.10543	0.8
122.05889	2.5
123.04333	1.3
127.03825	0.6
129.06888	0.7
131.12784	1.2
132.04373	1.5
133.02834	67.6
133.03801	2.4
134.03120	1.2
134.05988	25.0
135.04309	0.6
135.06229	0.8
145.02783	0.8
147.04260	1.0
150.05469	8.4
151.03835	0.7
157.10724	1.7
161.02216	1.3
162.05464	6.3
162.07933	0.6
162.09123	5.2
175.12173	1.2
176.10611	2.1
178.04855	1.3
181.08502	0.8
190.04868	1.6
201.10164	2.3
203.11789	14.0
204.10172	58.6
205.10489	1.2
218.12871	1.8
221.12759	2.8
226.01398	0.7
231.14767	0.8
232.09598	7.6
233.12375	0.8
245.52870	0.7
246.12346	18.5
248.14629	1.5
263.14996	100.0
264.15305	3.0
273.12213	2.2
274.11600	1.2
291.14481	47.0
292.11584	1.0
292.15076	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01868	17.8
55.05254	2.6
55.05503	30.7
57.03444	3.7
59.04976	2.1
61.44698	2.0
67.05498	32.6
69.03407	4.7
69.07058	12.9
71.04988	4.6
79.05038	4.3
79.05484	57.9
81.03408	3.3
81.07047	70.5
83.04971	7.5
83.08594	15.0
91.04935	3.3
91.05466	43.5
93.07031	33.4
95.04961	28.1
95.08586	22.4
97.06513	5.1
97.10162	11.5
98.22650	6.4
103.05396	3.2
105.03384	5.9
105.04493	2.4
105.07021	27.9
106.31403	2.2
107.04938	19.2
107.08581	25.4
109.06483	10.0
109.10139	9.6
111.08106	2.9
114.10311	2.5
115.05408	4.2
116.06190	3.0
117.07007	36.2
119.04925	3.5
119.07735	3.5
119.08562	54.8
120.08929	2.7
121.06479	25.6
121.10100	10.2
123.08052	6.4
125.09615	14.3
128.06230	2.9
129.07007	15.6
131.08559	21.5
133.06494	10.2
133.10123	7.2
135.08057	19.0
135.58099	2.5
137.09598	4.9
141.06995	2.3
143.08574	9.0
145.10095	23.5
147.08040	30.2
149.09593	9.6
153.96878	2.1
157.10109	10.2
159.08026	6.5
159.11729	6.4
161.09584	10.3
161.13257	2.8
162.31337	2.2
163.11148	10.8
165.09093	5.5
169.10066	2.7
171.11626	4.4
171.72728	2.2
175.11143	3.0
185.09525	2.3
185.13261	3.0
189.11234	5.4
195.11760	3.4
199.11172	2.7
217.15630	2.4
223.13298	10.2
227.17932	4.5
245.18941	5.4
249.14806	12.7
255.17401	5.0
273.18463	49.6
276.71292	2.4
291.19516	100.0
292.19644	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02370	0.6
51.94749	0.6
53.03936	2.9
54.93618	0.7
55.01616	0.9
55.01863	11.7
55.05505	28.0
57.03423	4.4
57.07064	1.9
59.04978	1.2
65.03922	2.4
67.05495	28.5
67.99688	0.7
69.03423	4.0
69.07056	18.0
69.79572	2.3
70.06570	2.5
70.98759	0.7
71.04993	3.5
71.06925	1.0
77.03912	1.9
79.05479	44.2
80.21597	0.7
81.03400	8.7
81.07044	57.7
83.04963	7.3
83.08610	11.9
85.02871	1.6
85.06540	2.3
86.70250	0.7
88.07620	3.9
88.16284	0.6
89.07360	0.8
89.07895	1.0
91.05466	28.1
93.07028	27.8
95.04953	27.7
95.08016	1.1
95.08591	17.3
95.09195	0.8
96.05320	0.8
97.06534	5.1
97.10149	10.0
99.08061	2.0
102.09150	1.7
103.05456	2.2
103.09526	0.9
104.06229	1.1
105.03378	1.6
105.04478	1.5
105.07012	22.4
105.07723	1.4
105.10075	0.7
107.04937	14.9
107.08579	18.3
109.06498	10.5
109.10153	7.6
111.04424	3.2
111.08058	3.0
115.05436	2.0
116.06236	1.6
117.06173	0.8
117.07001	17.9
119.04918	2.8
119.08562	37.9
120.05676	0.8
120.12639	0.6
121.06490	17.2
121.10130	9.9
121.57105	0.7
123.04444	0.9
123.08043	18.7
123.11653	1.2
125.06001	0.9
125.09614	10.9
128.06223	2.3
129.06996	7.3
130.07796	1.4
131.08553	16.9
131.10168	0.7
132.05653	0.8
133.06467	4.8
133.10123	7.5
134.07249	0.7
135.08026	10.2
135.11661	4.9
137.09624	5.8
141.06931	1.0
142.07767	1.4
143.08533	6.7
145.06476	1.1
145.10106	17.6
147.08028	19.3
147.09146	1.3
147.11642	2.8
149.09602	11.1
149.13240	1.6
151.07530	1.4
151.11115	1.1
153.09117	4.9
155.08580	1.5
157.10104	7.3
159.08035	2.9
159.11650	5.1
161.09613	8.8
161.13185	1.3
163.11145	14.9
165.09094	6.8
169.10124	1.5
171.10208	1.4
171.11685	3.6
173.09544	2.0
173.11783	0.8
173.13225	1.5
175.11086	4.5
175.14838	0.8
177.12732	1.6
181.12381	0.8
185.09589	1.7
185.13249	2.6
189.11168	3.9
189.12746	2.0
193.12291	3.7
195.11690	1.4
203.14256	1.0
213.12613	1.7
217.15797	1.4
221.11758	1.1
223.13237	5.1
227.17902	2.9
229.23560	5.8
231.17531	1.3
237.16292	1.9
245.18985	3.0
249.14763	6.5
251.08231	0.7
255.17416	4.5
263.19955	0.9
266.47726	0.8
273.18436	35.1
274.18787	1.9
291.19495	100.0
291.27023	17.4
292.19824	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	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.32718	1.1
53.03936	2.6
55.01859	17.2
55.05502	20.5
57.03427	7.1
57.07056	5.2
65.03925	2.0
67.05494	38.2
69.03411	5.1
69.07059	36.8
69.66912	4.6
70.06580	5.9
71.04976	8.8
71.06913	1.6
79.05479	41.2
81.03406	22.5
81.07045	40.1
81.27988	1.2
82.07394	1.4
83.04974	13.8
83.08623	6.2
85.02890	1.3
85.06541	3.4
88.07617	8.9
89.07948	2.6
91.05465	35.7
93.07028	37.9
95.04958	20.2
95.08007	2.6
95.08591	30.4
97.02882	1.6
97.06504	13.0
97.10143	3.9
99.04447	3.4
102.09164	4.5
103.05444	1.9
103.09480	1.4
105.07011	27.3
105.20793	1.3
107.04935	87.3
107.08574	22.5
108.05242	1.4
109.06512	15.2
109.10124	11.2
111.04432	10.4
111.08051	2.4
113.05987	1.7
114.10268	1.7
115.05457	3.3
116.06199	2.1
117.07006	14.0
119.08557	23.8
121.06483	15.7
121.10127	16.4
123.04366	1.3
123.08047	9.4
123.11688	2.0
125.09612	4.1
128.06197	1.6
129.06996	10.8
130.07780	2.0
131.08546	18.2
133.06477	8.3
133.10109	12.7
134.07248	1.4
135.08032	25.2
135.11655	4.8
137.09587	8.6
139.11143	3.4
141.06935	2.0
143.08501	7.3
145.06444	1.4
145.10094	11.8
147.08000	10.1
147.11641	5.6
149.09590	45.9
149.13235	2.2
151.07503	2.9
151.11171	1.5
153.09114	2.5
155.08614	1.4
157.10095	9.2
159.07993	2.7
159.11697	7.6
161.09587	8.7
161.13240	3.3
163.11122	7.5
165.09088	2.6
167.10619	2.2
169.10133	2.1
171.11667	5.9
173.09650	2.1
173.13263	2.2
175.11171	7.3
177.12755	3.8
179.10635	3.6
181.10094	1.2
185.13229	3.2
187.14754	1.4
189.12700	1.9
193.12260	3.3
195.13895	1.8
199.11188	1.7
203.10655	1.8
207.13591	1.3
213.12650	1.7
213.16353	1.5
217.15843	3.5
221.11742	2.9
223.13303	1.6
227.17873	3.1
228.23175	4.3
229.23473	18.1
232.09648	2.3
235.13206	5.1
237.16490	1.4
245.18927	6.1
249.14748	1.8
255.17398	4.4
263.20059	4.7
273.18433	30.7
274.18826	1.6
290.26880	1.4
291.19492	100.0
291.27121	44.1
292.19836	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.86637	2.8
53.03918	4.3
55.01870	16.9
55.05253	3.4
55.05505	54.7
57.03426	3.8
57.07058	3.2
65.03915	4.6
67.05497	37.0
69.03439	6.5
69.07056	15.8
70.18904	6.7
71.04985	6.4
79.05484	65.1
80.00942	2.3
81.03407	7.0
81.07050	73.1
83.04960	9.5
83.08614	14.8
85.06531	2.8
91.05467	65.9
93.07039	39.2
95.04951	29.3
95.08594	23.8
97.06529	3.7
97.10160	26.2
105.03381	6.4
105.07017	35.3
107.04926	25.0
107.08572	27.3
109.06524	12.8
109.10126	9.4
111.04445	3.2
111.08039	7.2
115.05408	5.5
116.06222	3.1
117.07000	31.1
119.04930	6.6
119.08561	68.4
120.08951	2.8
121.06478	16.5
121.10164	14.4
123.08057	12.2
125.09634	25.0
128.06145	3.7
129.06970	12.0
130.07788	3.4
131.08551	30.1
132.05663	3.1
133.06458	9.2
133.10152	13.4
135.08023	19.2
135.11700	3.7
137.09595	3.1
143.08566	12.6
143.11749	2.5
145.06471	3.1
145.10097	31.5
147.08029	48.4
147.11618	4.5
149.09592	15.3
151.07526	15.7
157.10086	10.0
159.07991	3.7
159.11627	12.0
161.09593	8.7
163.11188	8.2
165.09068	3.2
169.10144	2.8
171.11682	7.8
175.11160	3.6
177.12601	3.3
185.13213	6.0
189.11165	10.6
189.12724	4.7
193.12114	3.3
195.11763	2.9
199.11090	2.7
206.14441	2.5
207.13777	7.2
223.13333	4.3
225.12268	2.3
227.17853	5.5
232.09459	3.0
235.13309	2.9
245.18932	7.2
249.14853	6.7
255.17455	14.0
273.18448	92.2
274.18723	3.7
291.19485	100.0
292.19870	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03936	7.2
55.01868	17.0
55.05504	40.1
57.03438	5.8
57.07073	1.8
59.04976	1.4
65.03927	2.3
67.05498	42.8
67.05861	2.3
69.03426	7.7
69.06763	1.2
69.07063	15.3
70.00552	1.1
70.00931	1.0
71.04976	5.3
77.03901	2.4
79.05482	80.0
81.03410	7.2
81.07048	92.5
83.04963	6.8
83.08612	13.6
85.06549	2.2
91.05470	51.0
93.07030	39.4
95.04955	31.3
95.08010	2.1
95.08598	33.7
97.06520	3.5
97.10155	17.9
103.05460	2.5
105.03388	5.4
105.04493	4.5
105.07014	36.4
107.04952	21.3
107.08579	29.4
109.06500	18.3
109.10147	8.5
111.08073	4.2
115.05454	4.1
116.06216	2.4
117.07005	37.3
119.04913	4.5
119.06120	1.6
119.08566	59.2
120.08854	1.9
121.06489	28.0
121.10131	12.2
123.04419	1.9
123.08034	10.6
123.11701	1.1
125.09625	15.2
128.06197	3.0
129.06990	15.6
130.07764	3.1
131.08554	28.8
131.75034	1.1
132.05669	1.9
133.06488	10.5
133.10117	11.1
135.04433	1.3
135.08031	26.7
135.11653	5.9
137.09605	3.9
141.06935	2.7
142.07758	2.5
143.08548	12.9
145.06465	3.0
145.10098	26.2
145.11209	1.7
147.08041	31.1
147.11664	6.0
149.09593	16.8
151.07564	2.3
151.11145	2.8
153.06995	1.2
153.09085	1.4
157.06456	1.3
157.10103	13.9
159.08075	5.3
159.11664	8.9
161.09612	17.0
161.13225	3.3
163.11140	9.3
165.09171	2.0
169.10056	1.5
171.11641	7.0
173.09605	3.1
173.13289	2.6
175.11150	6.8
177.09097	2.6
179.10616	1.3
181.10109	1.5
183.11736	1.3
185.09627	1.9
185.13187	6.5
187.11076	1.3
189.11194	6.7
189.12720	2.2
195.11703	2.5
199.11182	1.7
199.14824	1.9
203.14357	2.1
213.12672	3.7
217.15884	2.9
223.13321	5.9
227.17909	3.3
231.13821	3.3
237.16333	2.3
245.18852	5.6
249.14844	18.5
255.17386	7.4
263.20139	1.6
273.18463	51.3
274.18759	3.5
288.35526	1.2
291.19513	100.0
292.19983	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	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.17651	0.9
55.05498	7.3
56.08357	1.1
57.07048	1.7
59.00166	1.2
59.04996	2.5
62.24148	0.9
67.05492	5.1
69.03405	2.1
69.07035	3.2
70.37292	0.9
71.04980	2.4
77.03947	1.2
79.05479	9.0
81.07048	9.5
83.04950	2.5
83.08279	0.9
83.08612	9.9
85.06503	2.4
91.05460	4.1
93.07032	10.6
95.04951	7.1
95.08582	15.3
97.06516	4.0
103.59431	1.1
105.06995	8.9
107.04942	11.8
107.08578	8.5
108.05738	1.5
109.06513	6.5
109.10139	3.6
111.08065	41.9
113.09587	2.6
117.06988	2.7
118.76209	1.1
119.08557	10.2
121.06491	3.1
121.10106	5.1
122.07294	1.4
123.08057	29.5
125.09608	3.8
131.08553	5.3
133.06470	3.3
133.10115	6.3
135.08047	5.9
135.11668	2.9
137.09587	2.9
141.05409	1.2
142.07745	1.1
143.08560	2.9
145.10112	5.6
147.08031	3.7
147.11684	5.2
149.09564	6.9
151.07515	100.0
152.07811	1.9
155.10635	2.6
157.10083	4.9
159.08067	1.8
159.11581	1.3
161.09610	3.1
161.13161	1.3
163.11142	3.4
165.09094	1.7
171.11639	2.2
173.09621	2.1
173.13263	7.2
175.11128	3.9
177.09023	1.6
179.10660	5.5
181.12166	2.5
189.12717	28.8
191.14276	10.9
192.11401	4.7
197.11658	14.5
197.13225	2.5
205.12201	1.1
207.13754	67.8
208.14122	1.8
211.13133	1.6
213.16353	1.4
215.14238	3.2
217.12161	3.0
231.17398	2.0
233.15331	35.9
234.15692	1.4
235.13300	2.9
249.18498	2.1
255.17337	2.0
273.18390	7.6
291.19498	59.0
292.19873	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	291.1952
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	0.7
55.01862	2.5
55.05507	9.2
55.07454	0.3
57.03421	0.3
57.07062	0.4
59.04991	0.4
59.56250	0.2
65.03927	0.4
67.05495	5.8
69.03427	1.6
69.07060	3.8
70.56995	0.4
71.04990	1.3
73.14774	0.2
79.05486	8.9
81.03411	1.2
81.07050	8.6
81.07405	0.2
83.04964	1.5
83.08614	3.6
85.06537	0.5
91.05471	8.2
93.07037	6.8
94.04213	0.3
95.04958	4.1
95.08600	4.0
97.06530	0.7
97.10162	2.8
103.05485	0.5
105.03423	0.3
105.04528	0.3
105.07021	6.3
107.04940	5.3
107.08570	3.7
108.05703	0.5
109.06525	1.6
109.10126	1.5
111.08031	0.3
114.10265	0.5
115.05434	0.7
115.71925	0.2
116.06270	0.4
117.07008	3.0
119.04919	2.1
119.08568	5.7
120.05714	0.7
121.06488	2.7
121.10160	1.8
123.08061	1.1
125.09618	2.0
128.06184	0.5
129.07002	2.1
130.07776	0.5
131.08559	3.3
133.06482	4.3
133.10117	2.2
134.07249	1.1
135.08029	1.7
135.11659	0.8
137.09590	0.5
143.08553	1.5
145.06483	0.5
145.10075	2.7
146.07216	0.5
147.08023	3.9
147.11676	0.9
149.09593	2.1
149.13222	0.4
151.11163	0.3
157.10100	1.2
159.11673	0.7
161.09572	1.2
161.13364	0.3
162.10394	1.6
163.11160	1.0
165.09131	0.5
169.10103	0.3
171.11682	0.5
173.13217	0.5
175.11186	1.2
177.12672	0.4
195.11798	0.3
223.13258	1.1
232.09523	0.4
245.19113	0.3
249.14865	2.2
255.17470	0.4
261.14911	0.5
262.15546	0.5
273.18423	3.4
291.19516	100.0
292.19830	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02364	0.8
53.03931	4.0
55.01612	1.6
55.01864	16.8
55.05503	36.2
57.03426	3.4
57.07067	1.2
59.04988	1.8
65.03928	1.9
67.05495	33.4
69.03422	5.8
69.07058	15.3
69.51218	0.7
71.04988	5.2
75.22664	0.8
77.03905	2.1
79.05482	76.2
80.05804	1.4
81.03396	4.4
81.07047	94.7
83.04970	6.1
83.08615	13.3
85.02880	1.0
85.06535	2.1
91.05469	45.7
93.07034	35.6
94.29541	0.7
95.04956	30.6
95.08595	23.0
97.06516	3.5
97.10154	16.1
99.08067	1.4
103.05430	3.0
104.06230	0.9
105.03407	5.8
105.04494	4.0
105.07016	29.4
107.04932	19.0
107.08577	20.8
109.06506	23.7
109.10136	7.9
111.04426	1.7
111.08057	3.1
111.33863	0.8
113.06036	0.9
114.10280	0.9
115.05433	5.1
116.06189	2.5
117.07005	37.6
119.04944	6.7
119.08562	62.1
120.08895	1.3
121.06493	28.1
121.10122	12.9
123.08031	5.9
123.11668	1.0
125.09615	17.4
128.06197	3.7
129.06999	14.7
130.07768	2.3
131.04871	1.1
131.08556	23.0
132.05746	1.4
133.06465	10.2
133.10135	10.0
135.04373	1.7
135.08040	18.1
135.11662	3.1
137.09589	3.2
141.06953	2.1
142.07715	1.7
143.08542	11.9
144.09128	0.9
145.06467	2.8
145.10107	27.6
146.10393	0.9
147.08034	34.1
147.11652	4.2
148.08484	0.9
149.09627	11.1
149.13194	1.1
150.10059	0.8
151.07451	1.2
153.09044	1.8
153.12723	1.2
155.08549	1.4
157.06488	2.1
157.10080	10.8
159.08049	5.4
159.11667	8.3
161.09613	14.2
161.13271	2.0
163.11137	7.8
165.09099	1.8
167.08574	1.6
169.10063	1.4
171.08018	1.9
171.11627	6.4
173.09576	2.6
173.13185	1.6
175.11176	3.6
177.09082	2.2
179.10674	0.8
181.10027	1.3
185.09601	1.5
185.13184	5.2
187.11156	1.5
189.11235	9.1
189.12787	2.1
195.11661	2.3
199.11128	3.2
203.14212	1.9
205.12204	1.0
209.13342	1.1
213.12723	3.3
213.16162	0.9
223.13261	6.9
227.17912	4.4
231.13733	2.6
231.17465	0.9
237.16397	2.1
245.19084	4.3
249.14803	19.5
249.17262	1.4
255.17422	8.6
263.20068	1.2
273.18460	46.2
274.18835	1.7
282.70828	0.9
291.19501	100.0
292.19904	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	291.2315
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.87471	0.7
51.02378	1.5
53.03933	2.2
55.01868	3.7
55.05503	21.7
56.96768	0.7
57.07065	1.7
59.04984	1.4
65.03929	1.8
67.05495	41.0
69.03408	2.4
69.07056	17.6
71.04990	0.9
73.06502	1.7
77.03906	2.2
79.05481	75.3
80.05813	1.1
81.03380	1.0
81.07046	52.3
83.04958	2.4
83.08605	9.7
85.06532	3.4
91.05465	32.0
93.07030	100.0
94.07353	1.9
95.04965	11.1
95.08594	32.8
95.09214	1.6
95.49344	0.9
97.06511	2.8
97.10138	6.1
99.08074	2.0
101.05981	0.8
103.05443	0.8
105.04507	2.4
105.07015	21.0
107.04916	5.2
107.08578	52.2
108.08892	1.1
109.06509	4.4
109.10145	14.7
111.08079	1.2
111.11746	0.8
114.10302	1.0
115.07562	0.9
117.06998	4.7
119.04928	1.2
119.08566	18.4
121.06485	4.1
121.10128	41.7
122.10397	1.0
123.08040	3.0
123.11684	4.2
125.09626	2.6
128.06216	0.7
128.73602	0.8
129.06992	4.3
129.09007	0.8
131.08565	7.6
133.06503	1.6
133.10118	14.1
135.08034	3.4
135.11671	46.0
136.12039	1.1
137.09593	3.1
142.07784	0.9
143.08524	1.8
145.10086	7.1
147.07988	4.4
147.11658	10.0
149.09610	4.2
149.13232	27.6
150.19353	0.7
151.07576	1.2
151.11151	1.3
157.10120	2.4
159.11685	4.0
161.09625	2.7
161.13249	7.6
163.11165	4.1
163.14799	8.0
165.12782	1.0
171.11676	4.4
173.13269	2.0
175.11172	2.4
175.14864	4.3
177.12759	2.9
177.16365	1.4
185.13246	3.0
189.12787	2.3
195.13791	1.4
199.14775	1.7
203.14334	1.6
209.15306	1.3
213.16350	1.5
217.19537	2.3
221.15280	1.5
223.13371	0.7
231.17415	1.4
235.16986	1.7
241.19484	4.6
249.14876	1.7
249.18484	1.5
255.17577	0.8
259.20526	7.3
273.18515	3.3
291.16724	0.9
291.19547	45.0
291.23187	45.8
292.19839	2.8
292.23541	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	11.0
60.80029	2.3
69.79092	5.0
69.92101	2.1
72.73969	2.6
75.75009	2.4
84.39616	2.0
98.23318	3.9
98.97578	100.0
101.81962	2.9
116.98611	52.8
134.99658	16.4
135.73186	2.5
172.94376	4.0
175.11345	2.1
177.00870	4.7
190.95491	4.1
232.96501	4.2
244.31549	2.5
247.01518	7.1
247.07448	2.7
256.96335	11.1
274.94501	4.8
274.97498	87.4
275.97739	3.6
292.95413	3.0
292.98538	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96285	3.1
56.96555	56.1
69.14446	11.4
74.97536	1.9
79.18864	2.3
84.96014	17.8
85.36017	1.9
97.02834	2.6
98.97572	80.4
101.00829	3.1
110.97551	57.5
112.99119	3.2
114.05513	2.9
114.10324	2.1
116.98600	29.5
120.18965	2.0
124.99084	6.0
127.00642	4.6
128.98587	62.0
131.00117	3.2
134.99600	7.1
140.98575	35.0
143.00166	12.7
145.01669	2.5
146.99622	22.0
149.01161	4.1
152.98563	11.2
155.00146	2.0
158.99637	37.2
161.01161	9.6
161.02864	5.5
163.03897	3.0
170.99622	23.3
173.01140	5.9
174.99228	2.2
177.00668	12.8
182.99606	13.8
189.00681	23.6
189.02278	3.2
191.02277	2.2
201.00677	51.7
203.02254	3.3
207.01714	4.2
213.00677	2.2
213.03455	1.9
219.01738	37.0
233.03377	3.0
237.00554	3.1
237.02786	41.3
249.19501	2.2
251.04358	43.4
261.02744	11.6
269.05371	30.9
274.97345	2.3
279.03766	6.9
293.05487	100.0
311.06454	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	293.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71785	1.4
53.76947	1.2
55.05488	1.4
56.96558	76.5
57.03423	2.6
58.06581	2.9
61.02921	2.8
69.03426	6.2
69.07051	1.4
69.79697	2.1
69.80062	2.6
70.06571	2.6
73.02887	2.2
81.03402	3.2
84.08131	4.7
84.96027	24.4
85.02900	7.4
86.06026	1.9
97.02873	7.9
98.97571	69.6
99.04453	2.2
102.97031	3.0
110.97557	77.8
112.61027	1.4
112.99104	5.1
113.05962	1.6
113.96870	1.2
114.05518	5.4
115.74310	1.1
116.98607	33.5
120.08092	1.7
124.99097	3.3
127.00656	7.3
127.03963	1.9
128.98590	86.1
130.08647	2.0
131.00134	3.8
131.09039	1.1
132.13844	2.9
134.99603	9.7
140.97467	2.8
140.98575	49.3
143.00140	10.6
144.98116	3.8
145.01686	5.5
146.99634	41.7
147.02995	1.5
148.03864	2.4
149.01251	1.8
152.98569	13.1
153.00618	1.7
155.00142	2.0
158.99640	45.5
160.52655	1.2
161.01199	12.4
162.99132	1.9
163.02747	2.5
163.04362	3.2
164.07014	2.0
165.00674	3.6
170.01274	1.4
170.99635	40.1
173.01212	6.8
175.04559	1.4
177.00690	14.7
177.04213	2.1
179.02303	3.1
182.99611	15.9
183.04193	1.3
183.55771	1.2
185.01106	1.7
189.00682	29.6
191.02272	2.9
195.01720	1.8
201.00682	82.4
202.01076	1.9
207.01776	2.7
212.06195	3.6
219.01735	60.2
219.80502	1.2
223.01398	1.3
224.02354	1.5
231.01759	2.4
233.03354	2.9
234.84094	1.4
237.02785	59.0
243.01932	1.2
251.04367	43.7
255.03812	4.2
261.02795	17.5
267.66110	1.1
269.05429	27.0
274.97571	1.6
279.03833	10.8
293.05417	100.0
293.11130	6.7
294.05783	2.7
294.09720	1.8
294.19119	1.8
311.06601	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29139	3.1
69.80036	6.6
69.80423	6.2
81.31029	2.8
83.21948	3.2
94.37865	3.0
98.22747	5.9
103.99714	2.9
178.03662	3.3
250.58896	3.2
293.06281	100.0
293.46417	3.3
294.06799	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	293.1168
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
55.01854	0.1
81.07018	0.1
84.70422	0.1
84.76882	0.1
85.50154	0.1
105.28782	0.1
108.86318	0.1
163.05363	0.2
164.06120	0.1
165.06917	0.2
169.58154	0.1
176.06100	0.5
177.06963	0.3
178.07709	0.3
179.08534	1.3
188.06197	0.1
189.06943	2.7
190.07759	1.3
191.08527	0.9
192.05553	0.6
192.09239	0.1
193.06473	0.1
200.06087	0.1
201.06903	0.4
202.07739	1.2
203.04617	0.1
203.08540	0.7
204.05663	0.8
205.06435	1.7
206.07285	0.5
207.08008	8.8
208.08449	0.3
216.05603	0.5
217.06456	1.8
218.07224	3.7
219.07999	14.7
220.05174	1.5
220.08482	0.9
221.05772	0.2
221.09576	0.7
222.06583	0.1
222.10333	0.2
229.07861	0.6
230.07184	0.3
231.04323	0.3
231.07962	0.7
232.05125	0.3
232.08775	0.9
233.06029	1.0
233.09534	2.8
234.06721	1.7
234.09258	0.1
234.10254	0.2
235.07484	23.5
236.07968	1.2
245.06046	0.4
245.09338	0.1
246.06731	2.6
247.07486	29.5
248.04630	0.5
248.08095	2.9
249.09033	3.7
250.09830	2.6
251.06767	0.1
251.10689	0.4
259.07407	0.2
260.08279	0.7
261.09055	1.5
262.09839	35.6
263.06995	25.7
263.10193	2.2
264.07361	1.2
265.08487	0.2
277.08560	0.8
278.09320	35.3
279.09842	2.9
292.11093	0.2
293.11646	100.0
294.12076	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	293.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
56.52149	0.3
58.06605	0.5
60.05640	1.7
63.02355	0.3
67.05465	0.4
69.07060	0.8
69.76294	0.3
70.06573	0.8
70.63532	0.4
72.08143	10.3
79.05474	0.5
81.03392	0.4
84.08124	0.7
86.09695	0.4
89.03889	2.4
89.10769	0.9
95.04952	0.4
97.07643	2.1
98.06026	0.5
107.04915	1.2
109.02836	0.9
114.10272	19.6
115.08663	4.9
115.10531	0.3
117.03368	5.0
121.06493	0.4
131.12907	2.3
135.04399	11.1
137.05956	0.8
140.07001	0.6
145.01669	0.6
145.02814	11.9
163.03874	100.0
164.04175	2.5
175.29681	0.3
233.12802	5.4
233.14951	0.6
234.11220	5.8
251.13852	0.7
276.13394	10.5
277.13538	0.5
293.16028	61.3
294.16455	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	293.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06484	0.4
55.05490	1.2
56.96543	1.5
58.06596	0.7
60.05644	3.7
63.32728	0.5
67.05488	0.7
67.67871	0.5
70.06577	0.6
72.08144	17.3
73.04030	0.6
73.08399	0.5
79.05476	0.9
79.83984	0.4
81.07018	0.5
84.08119	0.7
85.02876	1.4
89.03905	3.5
89.10760	1.4
91.05463	0.5
95.04942	1.4
97.02843	0.6
97.07634	2.9
98.06005	0.8
98.97578	2.9
98.98458	0.9
105.06956	0.5
107.04949	3.8
109.10110	0.6
113.05981	2.2
114.10273	25.8
115.08667	3.1
116.98595	2.1
117.03374	5.5
120.08124	0.8
121.06371	0.6
131.07027	2.9
131.12898	5.7
134.99620	1.2
135.04398	15.5
136.04726	0.5
145.01686	0.7
145.02824	14.6
145.03929	1.0
147.04378	0.6
155.30534	0.5
163.03879	100.0
164.04201	2.9
188.07042	0.6
233.12746	4.1
234.11229	4.2
251.13902	0.9
274.97635	0.9
276.13370	9.9
292.94971	0.5
292.98645	0.8
293.16040	54.8
294.16315	2.5
311.06592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	5.5
55.01868	10.8
55.05504	74.5
55.05777	3.7
56.39753	1.9
57.03420	4.6
57.07080	9.7
59.04978	3.9
63.30408	1.9
65.03919	2.5
67.05496	42.4
69.03423	5.5
69.07052	25.7
71.04972	6.5
79.05035	4.4
79.05482	60.8
80.05814	2.4
81.03403	12.8
81.07046	52.9
83.04968	12.1
83.08613	38.5
85.02888	2.7
85.06561	2.0
91.05457	35.6
93.07034	47.9
95.04955	91.7
95.08592	33.4
96.05263	1.9
97.06528	8.5
97.10162	23.8
98.23479	5.8
99.04443	2.1
105.07018	34.6
107.04946	15.3
107.08582	41.8
109.06483	9.9
109.10149	15.7
111.04435	8.9
111.08067	8.7
117.06998	11.7
119.08569	24.0
121.06487	11.6
121.10130	18.4
123.08054	6.4
123.11704	3.6
125.05997	2.3
125.09600	20.1
129.06970	4.7
131.08540	19.5
133.10123	17.5
135.08035	11.4
135.11641	11.0
137.09590	7.6
139.20720	1.8
143.08578	3.5
145.10104	16.4
147.08051	3.5
147.11682	13.0
149.08455	4.2
149.09598	57.1
149.13210	2.1
150.09959	2.3
151.11185	7.9
153.09085	3.1
157.10074	2.5
159.11748	9.4
161.09561	2.4
161.13196	4.7
163.03891	3.3
163.11168	26.4
169.10182	2.2
170.11761	2.8
171.11694	2.8
173.13228	4.2
177.05338	2.6
177.12712	3.3
179.14320	2.2
181.04973	6.1
181.12167	2.2
183.11720	2.6
187.11177	5.3
189.11168	14.8
191.10629	4.2
193.12292	4.5
197.13368	2.2
205.12263	4.9
209.11671	6.4
219.08124	3.1
219.10284	2.2
219.17433	2.7
223.13263	32.2
223.15262	3.1
224.13213	2.2
227.87399	2.1
229.19388	4.6
237.11145	19.4
237.70151	2.4
247.07597	3.9
247.20570	4.2
248.07921	2.2
257.18951	10.9
262.09903	4.7
263.06833	2.2
272.78320	2.1
275.20029	94.4
276.20313	2.1
277.21567	5.1
278.09265	5.6
293.11819	15.4
293.21078	100.0
294.21494	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	293.2108
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03935	4.5
55.01873	3.3
55.05290	1.4
55.05513	17.3
57.03424	4.5
57.07075	4.0
58.29419	1.1
65.03941	1.3
67.05498	17.7
69.03457	1.5
69.07058	8.0
69.10451	8.3
71.04967	3.0
73.51063	1.1
79.05486	40.4
81.03411	5.0
81.07050	100.0
82.07363	1.9
83.04966	3.9
83.08616	7.2
85.06532	1.8
91.05476	14.4
93.07030	12.8
95.04963	16.3
95.08602	14.0
97.06509	1.7
97.10168	2.9
99.04414	1.8
99.08060	2.0
105.07022	16.4
107.04947	5.4
107.08591	9.4
109.06509	49.6
109.10130	6.8
111.04434	2.8
111.08079	1.6
117.07008	4.8
119.08559	10.2
121.06528	2.3
121.10139	5.5
123.08062	3.6
123.11691	2.1
125.09627	2.6
131.08588	6.1
133.10110	11.1
135.08081	1.4
135.11690	5.6
137.09615	5.1
145.10123	4.7
147.11674	7.2
149.09619	7.7
149.13280	4.5
151.11172	3.7
152.91757	1.3
157.10104	2.6
157.86528	1.2
159.11671	3.5
161.13293	2.7
163.03905	1.7
163.11195	5.5
163.14879	2.5
165.12758	3.2
173.13203	1.7
175.11151	2.9
181.04962	1.5
191.10617	2.6
193.12263	3.5
209.11681	3.1
210.81229	1.3
219.17389	13.1
223.13263	4.0
224.24480	1.2
229.19612	2.1
235.07509	1.4
237.11188	3.7
247.07547	2.1
247.20561	5.2
257.19003	2.8
259.50681	1.3
262.09906	1.7
275.20044	32.7
275.22910	2.7
278.09399	1.9
293.11801	6.3
293.21112	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03952	14.5
55.01861	16.4
55.05505	42.3
57.03440	4.5
57.07061	10.0
67.05156	3.8
67.05496	49.7
69.07053	27.2
69.22713	15.6
71.04990	3.4
72.69758	2.9
73.26616	2.6
73.42436	2.7
79.05484	48.7
81.03408	27.8
81.07042	100.0
83.04967	9.3
83.08604	30.3
91.05477	37.6
93.07033	32.9
95.04949	40.8
95.08595	33.0
95.37097	2.6
97.06513	20.6
97.10175	5.0
105.07011	43.6
107.04940	18.5
107.08572	24.8
109.06507	38.3
109.10149	12.1
117.07014	11.8
119.08573	32.8
121.06499	7.7
121.10141	14.2
123.08063	8.5
123.11709	3.7
125.05963	3.8
125.09658	5.2
131.08527	15.4
133.10123	23.5
135.08064	4.8
135.11700	9.5
137.09595	3.4
143.08559	3.5
145.06488	4.6
145.10124	13.6
147.11673	14.5
149.09612	12.4
149.13243	4.6
151.11182	8.7
157.10176	6.2
159.11659	10.2
163.03871	6.6
163.11186	6.8
169.10086	3.3
173.13351	5.5
177.12708	4.1
179.14236	6.3
181.04930	5.1
185.99648	3.0
187.11160	4.2
191.10590	4.7
193.12183	5.3
195.10225	2.7
205.12103	3.4
209.11757	10.1
223.13203	4.8
235.07434	5.0
237.11176	11.0
247.07584	3.0
247.20508	4.3
257.18811	4.7
262.09842	8.0
263.07138	3.5
275.20001	51.5
278.09299	9.0
293.08804	3.1
293.11578	16.3
293.21045	49.8
294.12222	4.5
294.21371	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.08765	1.2
53.03929	8.0
55.01866	14.4
55.05254	2.5
55.05505	39.4
57.03419	3.9
57.07052	1.3
59.04987	1.2
59.89478	1.2
60.54590	1.3
65.03915	2.8
67.05495	57.7
69.03410	4.1
69.06703	1.7
69.07057	24.9
70.17859	1.1
71.04971	5.0
71.45237	1.8
79.05483	56.9
81.03413	10.9
81.07046	100.0
83.04974	8.2
83.08614	20.5
85.06512	4.1
91.04932	2.5
91.05471	42.5
91.06051	2.4
93.06436	2.5
93.07030	49.2
95.04961	21.5
95.08590	37.3
97.06506	18.2
97.10160	14.4
99.08070	2.9
101.06010	1.7
103.05460	2.4
105.07019	41.9
106.07352	1.4
107.04947	12.4
107.08578	47.5
109.06496	26.8
109.10145	21.3
111.08039	4.6
115.05437	1.2
117.07000	14.7
119.08566	30.7
121.06511	7.1
121.10125	20.4
123.08053	11.4
123.11658	7.3
125.09612	15.0
129.06953	3.1
131.08539	20.2
133.06506	1.7
133.10098	29.1
135.08009	6.8
135.11661	10.4
137.09581	8.0
137.13231	2.0
139.11163	2.8
143.08549	4.0
145.06493	1.9
145.10107	18.4
147.08055	1.8
147.11668	19.3
149.09604	21.8
149.13199	4.5
151.07402	1.5
151.11160	10.3
153.08987	2.0
155.08498	2.8
157.10086	5.5
157.11255	1.4
159.11670	13.0
161.09554	4.3
161.13222	4.7
163.03891	1.7
163.05374	1.2
163.11140	11.7
163.14870	1.6
165.09114	6.9
165.12721	3.5
169.10135	2.7
171.10263	1.5
171.11670	3.2
173.09555	1.4
173.11899	1.8
173.13254	10.7
175.11154	2.9
177.12706	3.7
179.14297	2.3
183.11624	2.7
187.11171	3.3
189.11227	9.0
189.12662	2.4
190.07841	1.6
191.14294	1.8
193.12126	2.2
197.13176	2.2
201.12646	2.2
202.07617	1.9
203.12849	1.7
207.13783	1.7
215.17822	2.0
223.11162	1.9
229.19489	8.3
233.15355	2.5
236.08330	3.8
237.08992	1.6
239.17950	6.7
247.20526	8.1
251.10683	1.9
257.18964	16.1
275.20020	98.2
276.20313	5.1
279.10135	4.0
293.11322	2.2
293.14072	4.7
293.21054	34.9
294.12210	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	2.6
55.01865	6.8
55.05505	15.2
57.03428	1.6
57.07061	1.5
65.03934	2.2
66.54967	0.7
67.05495	28.7
68.05814	1.0
69.03403	2.3
69.07059	19.2
69.87373	1.0
69.87696	1.4
71.04988	1.9
79.05482	29.3
81.03413	3.7
81.07045	39.2
83.04967	6.4
83.08603	6.4
85.06532	2.1
91.05465	21.3
93.07034	23.6
95.04961	10.4
95.08591	18.6
95.39474	0.8
97.06518	6.5
97.10159	5.6
99.08096	0.9
105.07014	24.1
107.04945	6.0
107.08580	26.8
109.06496	13.7
109.10130	10.2
111.08059	1.6
117.07008	5.4
119.08557	15.1
121.06483	6.3
121.10125	9.9
123.08053	6.9
123.11715	2.7
125.09616	4.5
129.06995	1.8
131.08551	11.5
133.06467	2.0
133.10112	13.8
135.07146	0.9
135.08020	4.4
135.11676	5.6
137.09557	2.4
141.06947	1.4
143.08536	2.7
145.06456	2.0
145.10097	11.3
147.08047	1.9
147.11656	13.0
149.09593	6.9
149.13220	3.5
151.11163	8.0
155.08517	1.5
157.10132	3.3
158.07314	0.8
159.08078	1.5
159.11670	9.0
161.09541	1.9
161.13229	2.8
163.11179	4.5
163.14809	1.0
165.09070	4.4
165.12732	1.2
167.88950	0.8
169.10112	1.4
171.11636	2.4
173.13226	4.5
175.11159	2.6
175.14783	1.2
177.12744	2.5
179.08577	1.4
179.10760	0.9
179.14322	0.9
183.11702	3.2
185.13153	1.1
187.11162	2.3
187.14743	1.8
189.06929	2.4
189.11185	2.9
190.07622	1.4
191.08488	0.9
191.14272	2.1
193.12180	1.2
197.13220	1.2
201.12706	2.2
202.07829	1.4
203.08649	1.0
205.06294	1.0
207.07993	7.8
207.13695	2.5
213.16460	0.8
215.17923	1.8
217.06485	1.4
218.07260	3.3
219.08017	13.2
219.13803	3.2
220.05270	1.3
220.08607	1.1
229.07747	1.6
229.19485	3.1
231.17442	1.2
232.08714	1.2
233.05881	1.0
233.09579	2.9
234.06718	1.9
235.05234	1.6
235.07500	23.9
236.08040	1.5
239.17899	3.6
246.06572	1.0
247.07501	30.3
247.20604	5.8
248.08084	4.2
249.09108	4.5
250.09747	1.4
251.10619	1.3
257.18988	12.8
261.09164	0.9
262.09851	34.7
263.07043	25.1
263.10223	3.0
264.07190	1.3
275.20023	91.4
276.20386	3.9
277.08508	1.2
278.09338	36.8
279.09854	4.4
289.32263	0.8
293.11673	100.0
293.21002	24.1
294.12164	7.8
294.21423	1.3
296.94662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03934	1.7
55.01652	0.6
55.01871	5.2
55.05504	10.5
57.03424	1.3
65.03921	0.8
67.05151	1.3
67.05494	20.1
68.98261	0.6
69.03406	1.5
69.07052	12.3
71.00023	0.7
71.04978	1.7
77.03924	0.9
79.05479	20.2
81.03401	2.4
81.07043	36.2
83.04960	4.9
83.08633	4.9
91.04929	1.3
91.05465	17.3
93.07032	17.8
94.07338	0.8
95.04966	7.3
95.08588	12.8
96.78968	0.6
97.06525	5.5
97.10155	4.5
99.08057	0.8
103.41936	0.7
105.04518	1.1
105.07014	17.7
105.07719	1.1
107.04959	4.4
107.08573	19.3
107.30732	0.7
108.08932	0.9
109.06506	13.3
109.10144	6.1
111.08026	1.7
117.07032	4.5
119.08562	11.6
121.06483	5.1
121.10136	7.5
123.08051	4.9
123.11674	1.4
125.09608	3.8
129.06975	1.3
131.08537	8.0
133.06413	1.3
133.10106	13.1
135.08014	3.6
135.11678	3.4
137.09598	2.9
137.13229	0.9
141.06943	1.1
143.08578	1.3
145.06448	1.4
145.10100	6.7
147.08070	1.8
147.11667	9.5
149.09605	8.8
149.13217	2.5
151.11189	4.5
155.08557	1.2
157.10143	2.0
159.07983	1.0
159.11673	5.9
161.09641	1.7
161.13219	2.1
162.74963	0.7
163.11157	4.0
165.09103	2.4
165.12711	1.8
169.10097	1.1
171.11644	2.3
173.09570	1.0
173.13272	3.6
175.11174	1.9
177.12715	1.4
179.08545	1.0
183.11662	1.4
187.11154	1.2
187.14792	1.0
189.06952	2.1
189.11201	1.6
189.12756	0.9
191.14255	1.9
193.12192	1.7
201.12688	1.1
202.07668	1.1
203.08519	1.0
203.14375	1.0
205.06450	1.7
207.08029	6.0
207.13657	1.5
215.14285	0.9
215.17990	0.7
217.06509	1.2
218.07246	2.8
219.08014	12.4
219.13751	2.4
219.17432	1.0
220.05215	1.3
220.08792	1.0
229.19479	2.1
231.17319	0.8
233.09634	3.3
233.15211	1.1
234.06680	1.2
235.07498	20.2
236.07777	1.2
239.17905	2.8
246.06828	2.4
247.07492	25.9
247.20541	3.7
248.08057	2.7
249.08966	4.0
250.09819	1.6
257.18924	7.3
261.08987	2.5
262.07022	1.2
262.09851	31.3
263.07031	23.6
263.10248	3.3
275.20023	59.6
276.20367	3.3
278.09332	36.9
279.09860	3.3
284.87082	0.7
293.11664	100.0
293.20944	20.6
294.12140	10.8
294.21463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03931	1.6
55.01864	4.4
55.05507	13.3
55.71428	1.1
57.03434	2.2
57.07072	1.9
65.03921	1.2
67.05497	27.3
69.03441	1.3
69.07056	21.6
70.30743	2.4
71.04976	2.1
79.05476	17.7
81.03411	1.5
81.07042	40.4
83.04982	8.0
83.08598	4.8
85.06535	1.7
91.05463	17.7
93.07031	24.5
95.04956	9.8
95.08595	19.6
97.06522	4.1
97.10162	3.3
98.23368	1.3
99.08069	1.2
105.07013	22.1
107.04948	7.5
107.08581	16.0
109.06499	16.3
109.10146	10.0
117.07027	7.3
119.08555	16.0
121.06489	10.2
121.10117	9.8
123.08040	6.3
123.11667	2.8
125.09617	1.6
129.06975	2.9
131.08553	15.6
133.06496	3.4
133.10104	17.9
135.08054	4.9
135.11658	4.1
137.09596	3.0
143.08531	1.9
145.06511	1.8
145.10109	12.8
147.08043	2.7
147.11676	13.0
149.09595	7.3
149.13266	3.1
151.11136	8.5
157.10124	2.8
157.60776	1.2
159.08038	1.0
159.11618	6.1
161.09604	2.7
161.13237	3.0
163.11121	5.0
165.12753	2.0
169.10146	1.6
171.11697	3.1
172.92523	1.0
173.09607	2.6
173.13206	5.7
175.11171	3.6
177.12778	3.4
183.11662	1.9
185.13234	1.9
187.14639	1.4
191.14334	3.7
197.13214	1.4
201.12753	2.7
205.16006	1.1
205.19531	1.4
207.08055	1.8
207.13788	3.0
215.17911	1.5
219.13753	6.9
229.19501	3.0
233.15366	1.2
233.19101	1.3
235.07515	3.9
236.17253	1.0
239.17932	4.1
247.07521	3.8
247.20589	3.2
257.18979	12.9
262.09882	7.9
263.07050	3.5
271.04102	1.4
275.20023	100.0
276.20233	5.8
278.09314	6.9
293.11688	18.7
293.21069	26.6
294.12222	1.8
294.21469	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.05589	0.7
53.03943	5.1
55.01865	31.4
55.02145	1.5
55.05500	19.8
55.63285	0.8
56.02188	0.8
57.03408	3.1
57.07054	2.5
59.04976	0.7
65.03917	2.7
65.99154	0.6
67.05495	42.7
68.05807	1.5
68.99728	0.7
69.03397	2.5
69.07056	34.8
70.07391	0.9
71.04989	3.5
71.08610	0.8
71.44486	0.9
73.06540	0.8
77.03909	1.3
79.05480	42.9
79.79936	0.7
80.05791	2.2
81.02966	0.9
81.03408	18.0
81.07043	53.8
82.07356	1.8
83.04977	8.2
83.08606	7.3
83.89618	0.7
85.06530	1.7
91.05468	29.3
92.05782	1.6
93.07033	40.1
94.06543	1.0
94.07348	1.2
95.01290	2.2
95.04343	1.0
95.04948	21.6
95.08591	30.1
96.05267	1.1
97.06516	31.3
97.10126	3.3
99.08059	2.3
105.04478	1.9
105.07014	27.7
106.07355	1.2
107.04942	17.4
107.08577	27.8
108.08923	1.2
109.06508	16.6
109.07204	0.5
109.10143	11.6
110.06825	2.0
111.04446	0.8
111.08076	3.9
113.09625	1.4
114.34113	0.8
115.05455	1.0
117.07000	9.8
118.07284	0.8
119.07726	1.4
119.08566	20.1
121.06474	6.0
121.10130	16.0
122.10425	1.1
123.04401	2.5
123.08039	10.5
123.11661	4.1
124.04781	0.9
125.09615	4.8
128.06197	1.2
129.06972	3.1
131.04904	0.9
131.08534	13.4
132.08842	0.8
133.06458	3.1
133.09164	1.4
133.10107	17.6
135.08037	8.7
135.10739	1.2
135.11668	13.1
136.08374	2.1
137.08662	1.3
137.09587	5.2
139.11185	1.5
141.06966	2.6
143.08527	3.3
145.06456	4.1
145.09091	1.1
145.10117	10.5
147.07953	1.5
147.11667	10.7
148.08627	0.6
149.09593	23.1
149.13240	4.2
151.11166	15.8
152.11552	0.9
155.08519	1.4
157.10086	2.5
159.08067	2.0
159.11674	12.5
161.09616	3.4
161.13229	5.7
163.03819	0.8
163.11160	11.6
163.14754	1.5
165.09088	17.5
165.12749	1.5
169.10091	3.9
171.11667	3.7
173.13269	5.3
175.11166	2.7
175.14890	1.2
177.12712	5.1
179.14302	4.5
183.11670	2.4
185.13467	0.9
187.11168	8.6
187.14771	2.0
189.11168	1.1
189.12737	2.0
190.07759	1.0
191.08545	0.9
191.14186	1.5
193.12363	1.1
195.13792	1.6
197.13214	1.9
199.14806	1.0
201.12808	1.2
203.08525	0.9
205.06476	1.2
205.12215	1.5
205.15813	0.8
205.19504	1.2
207.08037	2.9
207.13730	1.0
213.16429	1.8
215.14186	1.3
215.17822	1.8
218.07207	1.3
219.08043	5.1
219.17088	0.7
223.13229	2.0
229.19482	5.8
233.09612	0.9
233.15334	0.9
233.18939	1.9
235.07494	7.5
235.16833	0.7
237.14873	1.3
239.17900	3.4
239.42068	0.8
246.06721	1.0
247.07468	9.9
247.20564	12.1
248.08090	1.5
249.09027	1.4
251.10643	2.1
257.18976	13.8
262.09833	11.9
263.07013	9.9
265.22723	2.3
275.10526	2.5
275.20016	100.0
276.20462	4.7
278.09317	14.2
279.09946	1.9
293.11676	42.4
293.21008	30.7
293.27777	1.4
294.12210	6.2
294.21558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03929	2.7
54.05893	0.7
55.01859	1.3
55.05500	4.7
57.03419	0.7
59.06708	0.6
64.25380	0.7
65.03931	1.1
67.05495	8.6
69.03404	1.0
69.07042	3.6
69.96833	1.7
71.04959	1.2
79.05480	28.7
81.03420	1.7
81.07042	100.0
82.07382	1.0
83.04965	2.1
83.08595	2.6
91.05461	10.6
93.07032	6.5
95.04952	4.9
95.08595	4.6
97.06520	1.8
97.10152	0.8
99.08099	1.2
105.07011	8.7
107.04926	1.6
107.08574	6.4
109.06499	56.8
109.10140	2.7
110.06869	0.8
111.04390	0.6
111.08073	1.5
117.07005	1.1
119.08548	6.6
121.10094	3.2
123.08067	3.0
123.11694	1.0
129.06987	1.9
131.08557	3.4
133.10100	9.4
135.08025	1.4
135.11655	1.6
137.09618	1.0
145.10124	2.7
147.11664	11.9
149.09593	4.2
149.13225	1.8
151.11154	3.0
157.10129	2.8
159.11685	1.4
163.11186	2.2
165.12758	3.3
171.11694	1.0
173.13277	1.0
175.11159	4.1
177.12773	0.8
193.12251	4.8
197.13274	0.9
228.50757	0.7
235.07610	1.4
239.17854	0.8
247.07578	2.0
247.20566	1.1
257.19119	1.5
262.09894	2.2
263.07101	1.1
275.20032	22.4
276.20551	0.8
278.09415	2.0
279.10147	0.7
290.07605	0.7
293.11624	5.3
293.21042	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.19524	1.2
55.01857	10.5
55.05502	20.4
55.29646	1.2
57.03417	2.2
60.61451	1.2
65.03928	2.5
67.05491	25.9
69.03402	2.2
69.03756	1.0
69.07057	72.0
69.27305	1.1
69.97353	2.9
69.97697	1.9
71.04961	4.2
77.03891	1.2
79.05479	33.5
81.03404	14.4
81.06557	1.8
81.07039	31.3
83.04961	8.7
83.08603	5.4
83.15799	1.2
85.02864	1.8
85.06528	3.8
91.05460	20.8
93.07027	32.0
93.17166	1.1
95.04954	100.0
95.08586	17.0
96.05287	1.4
97.06519	10.9
97.10141	6.1
98.22815	2.2
105.07013	18.6
107.04944	14.7
107.08578	21.2
109.06506	9.0
109.10155	7.1
117.06997	8.6
119.08553	14.8
121.06448	7.0
121.10130	15.8
123.08054	5.2
123.11700	2.1
125.09641	2.8
128.06226	1.4
129.06952	2.9
131.08548	14.0
133.06502	1.4
133.10104	11.9
135.08026	22.9
135.11670	5.0
137.09578	3.3
139.11165	8.1
141.06966	1.6
143.08528	2.5
145.10063	8.0
147.08046	2.2
147.11681	7.5
149.09595	8.7
149.13303	1.7
151.11159	5.2
157.10190	1.9
159.11639	8.5
161.09583	3.8
161.13187	1.7
163.03937	1.4
163.11136	3.7
171.11620	3.0
173.13237	5.4
177.05437	6.2
177.12706	7.2
178.06239	4.7
183.11652	2.8
187.11145	1.4
187.13171	1.2
191.07080	1.8
191.14384	1.7
197.13309	1.9
201.12692	4.1
203.12724	3.7
207.13814	6.6
219.13800	3.9
225.14841	4.7
233.11681	4.7
237.14815	30.8
238.15099	1.6
239.17911	2.1
247.07481	1.8
247.20503	3.6
251.16440	2.2
257.18954	4.2
262.09647	3.0
263.06982	1.3
275.20007	48.9
276.20172	1.4
278.09271	2.4
293.11716	10.3
293.21048	64.3
294.21390	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.90184	1.6
55.01860	14.3
55.05506	67.0
57.03422	8.9
57.07047	6.6
65.03912	3.0
67.05495	68.4
69.03424	10.2
69.06705	2.9
69.07057	42.6
70.75056	2.8
71.04961	7.1
79.05482	65.3
81.03412	11.6
81.07046	76.6
83.04984	11.7
83.08610	26.2
85.02869	2.0
85.06528	2.8
91.04942	3.2
91.05468	46.9
92.05759	1.5
93.07030	56.0
93.95252	1.6
95.04957	67.2
95.08591	43.7
96.08890	2.6
97.06531	8.9
97.10161	14.7
97.58297	1.6
99.08057	3.6
105.06336	2.8
105.07019	41.4
107.04926	14.1
107.08582	42.2
109.06501	20.7
109.10139	24.9
111.08056	7.2
117.06982	12.0
119.08566	35.1
121.06492	8.2
121.10129	26.7
123.08038	14.0
123.11660	4.8
125.09626	12.1
129.06978	2.9
131.08542	19.5
133.06493	2.9
133.10106	29.0
135.08023	8.2
135.11690	8.2
137.05928	5.4
137.09605	30.6
139.11159	9.8
143.08517	2.2
145.10132	22.1
147.08025	2.7
147.11658	15.3
149.09596	25.1
149.13240	3.0
151.11183	13.0
155.08426	2.1
155.10590	2.4
157.10129	2.7
159.11633	8.0
161.09564	3.2
161.13210	5.7
163.03867	2.8
163.11174	11.4
165.12762	2.3
167.10649	1.9
169.10132	3.1
171.11664	4.0
173.09549	2.5
173.13214	7.0
175.11125	3.5
175.14697	2.1
177.05238	1.6
177.09009	1.7
177.12741	6.4
181.12158	1.6
183.11584	2.3
187.11128	3.3
187.14728	2.7
189.11156	8.6
191.10609	3.3
191.14272	3.2
193.12228	2.5
201.12625	3.7
205.12173	4.1
205.15799	2.0
207.13860	2.8
209.11679	3.7
212.71693	1.8
215.17638	2.0
219.07996	3.5
223.13210	12.0
229.19429	3.3
235.07477	5.3
237.11113	4.8
237.14789	2.6
239.17850	4.4
247.07495	5.2
247.20512	6.4
248.08015	2.1
257.19025	12.3
262.09863	9.6
263.06924	7.6
275.20026	100.0
276.20370	3.6
278.09366	9.0
279.10098	2.1
293.11630	28.9
293.20996	65.8
294.12241	4.2
294.21338	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	293.2107
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03925	7.9
55.01857	13.2
55.05503	84.4
56.45809	2.6
57.03423	7.0
57.07066	5.8
59.04972	3.2
65.03929	4.7
67.05493	78.6
69.03408	11.1
69.07056	40.8
69.63250	8.5
71.04973	5.0
79.05480	80.7
81.03391	16.0
81.07043	77.0
83.04975	15.3
83.08607	37.9
85.06508	5.0
91.05468	49.2
93.07033	61.9
95.04955	79.1
95.08594	48.4
97.06503	10.4
97.10168	20.1
98.23366	5.9
98.98470	2.8
99.08096	3.5
101.06008	3.8
105.07010	47.4
107.04926	14.9
107.08575	49.9
108.38685	3.1
109.06509	21.0
109.10138	33.7
111.08054	10.3
117.07019	13.2
119.08559	38.7
121.06474	9.8
121.10106	32.5
123.08040	7.6
123.11685	6.8
125.09628	17.6
131.08548	19.6
133.06454	4.4
133.10109	30.8
135.08022	10.1
135.11655	10.4
137.05995	3.6
137.09592	39.5
139.11122	9.5
143.08537	2.9
145.10103	23.3
147.08018	4.8
147.11661	17.1
149.09613	29.5
151.11136	14.0
153.09113	3.7
155.10616	3.7
159.11636	14.8
160.85570	2.9
161.13289	4.9
163.11191	17.4
171.11639	5.6
173.13222	6.1
175.11102	4.2
177.12663	7.1
183.11731	4.0
189.11195	11.3
203.12666	3.6
205.12216	2.8
209.11685	5.7
211.13255	4.1
223.13245	15.8
229.19485	4.2
233.15300	3.3
235.07472	10.2
237.11229	5.7
237.14723	4.0
239.17921	5.0
247.07475	19.2
247.16652	2.9
247.20561	8.2
257.18933	12.3
262.09836	15.9
262.26462	2.9
263.06989	12.8
275.20020	100.0
276.20264	6.4
278.09314	16.6
293.11685	53.9
293.20978	75.8
294.12335	4.4
294.21454	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03933	6.0
55.01865	10.4
55.05252	1.2
55.05504	18.8
57.03419	2.4
57.07065	1.7
65.03928	2.1
67.05495	34.2
69.03422	1.5
69.07059	15.9
69.07441	1.1
70.27004	0.7
71.04986	3.9
71.44460	0.7
77.03898	0.8
79.05485	37.0
80.40305	0.7
81.03410	10.2
81.07046	100.0
81.16320	0.7
83.04964	5.7
83.08611	14.8
85.06522	1.9
91.05464	24.7
93.07034	21.4
93.07597	1.4
95.04956	19.8
95.08598	18.2
96.36240	0.7
97.06519	7.6
97.10152	3.1
99.08107	2.1
103.05463	1.3
105.07012	25.8
107.04937	10.7
107.08582	14.9
109.06504	41.2
109.10136	6.7
111.08082	5.0
115.05396	0.8
117.06994	6.8
119.08576	18.7
121.06476	3.5
121.10130	10.5
123.08046	10.6
123.11682	3.0
125.09629	2.8
127.07571	1.4
129.06990	2.6
131.08551	10.4
133.06470	1.3
133.10107	16.2
135.08046	4.1
135.11670	5.2
137.09605	4.7
141.06973	1.1
143.08521	2.3
145.06453	2.1
145.10089	11.7
147.08031	1.5
147.11668	13.5
149.09595	11.0
149.13213	3.6
151.11188	4.2
155.08565	2.2
157.10135	3.2
158.86539	0.7
159.11682	6.3
161.09584	2.3
161.13255	2.7
163.11166	10.0
163.14864	1.4
165.11510	0.8
165.12706	4.5
169.10123	1.5
171.11652	1.5
173.09573	3.4
173.13223	4.0
175.11064	3.7
175.14787	1.1
177.12694	2.3
177.24652	0.7
179.14244	1.3
183.11635	1.2
187.11107	1.2
191.10681	1.2
193.12270	3.5
197.13258	1.2
199.54167	0.8
201.12695	0.9
201.16316	0.7
205.15802	1.3
207.13820	1.3
209.11792	0.9
211.15079	1.0
219.13896	1.0
223.13318	1.6
229.19473	2.6
237.14731	1.1
239.17923	3.1
247.20549	3.3
257.18970	4.9
262.09863	1.3
263.06781	1.0
275.20010	46.0
276.20325	2.3
278.09351	2.6
293.11710	3.4
293.21048	35.9
294.21448	1.8
300.65485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03850	2.1
53.04104	1.3
54.90792	0.6
55.01766	3.6
55.02061	1.3
55.05402	10.9
55.05709	3.4
56.00537	0.6
57.03352	1.5
57.06975	1.8
57.07232	1.3
65.03841	1.6
67.05386	29.9
67.05788	6.0
69.03343	1.4
69.06948	22.4
69.07365	3.8
69.07595	0.9
69.19007	1.7
69.19402	1.9
71.04874	2.3
71.08537	0.8
77.03826	0.8
79.05367	20.2
79.05868	2.8
81.03283	4.9
81.06929	39.6
81.07460	4.8
83.04848	7.6
83.08493	6.8
85.06416	1.7
91.05347	21.0
91.05965	2.3
93.06908	24.8
93.07550	2.3
95.04834	14.2
95.08472	24.3
95.09128	2.0
97.06398	5.1
97.10032	2.9
99.07990	0.9
103.05358	0.8
105.04398	1.1
105.06894	28.4
105.07664	2.1
107.04944	8.1
107.08452	16.5
109.06506	21.9
109.10146	11.0
109.10817	1.0
111.07973	1.5
115.05332	0.9
117.06993	6.9
119.08560	14.7
121.06498	10.4
121.10125	8.6
123.08050	6.8
123.11713	3.7
125.09499	1.9
129.06862	2.4
131.08543	16.8
133.06351	2.7
133.10115	20.4
135.08034	5.6
135.11681	5.5
137.05963	9.3
137.09610	3.4
141.06944	1.3
143.08432	2.8
145.06386	1.8
145.10117	12.1
147.07927	2.9
147.11659	13.0
149.09596	6.8
149.13127	2.9
149.14270	0.6
151.11124	7.8
155.08385	2.2
157.10136	3.4
157.11165	0.7
158.10623	0.7
159.07903	2.4
159.11674	8.4
161.09605	3.9
161.13229	3.2
163.03851	1.3
163.11154	6.2
163.14735	1.1
165.09053	0.9
165.12737	4.6
169.09995	1.8
171.11732	3.0
173.09528	2.4
173.13222	5.2
173.58459	0.7
175.11079	2.9
175.14734	1.2
177.12630	2.4
179.14143	0.8
183.11511	2.2
187.11046	1.9
187.14836	1.4
189.12683	1.4
191.14339	4.1
193.12189	0.7
197.13231	1.4
199.14893	0.8
201.12709	3.1
205.15836	1.1
205.19453	0.8
207.07953	0.8
207.13669	2.7
215.14159	1.0
215.17964	1.1
217.15810	0.9
219.08000	1.2
219.13765	5.4
229.19429	2.2
231.17325	1.5
233.11652	1.3
233.15302	1.5
233.19014	1.0
235.07526	1.2
235.17078	0.8
239.17900	4.0
247.07446	1.2
247.20534	4.2
253.05551	0.7
257.18985	14.8
262.09909	2.5
263.07025	1.5
275.20026	100.0
276.20401	4.3
278.09436	2.6
293.11737	10.1
293.21063	32.7
294.12302	1.4
294.21408	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	6.2
55.01873	5.0
55.05503	11.9
57.03428	1.5
57.07053	1.1
65.03937	2.1
67.05495	27.8
67.44944	0.8
69.03421	1.9
69.07061	10.9
69.76994	3.0
71.04984	2.8
71.08612	1.2
79.05486	33.6
79.97311	0.8
80.05804	0.9
81.03409	15.2
81.07049	100.0
83.04973	7.1
83.08605	7.7
85.06528	1.4
91.05472	23.4
91.06042	1.2
93.07036	15.8
95.04957	16.2
95.08598	13.0
97.06534	5.9
97.10185	3.1
99.08085	2.3
105.04543	1.1
105.07013	18.2
107.04953	3.2
107.08590	12.6
109.06506	62.2
109.10140	7.0
111.04398	1.6
111.08083	2.5
117.07014	5.0
119.08571	15.9
121.06519	3.3
121.10146	6.5
123.08054	8.5
123.11729	1.9
125.09621	2.7
126.91691	1.0
129.07002	2.8
131.08562	5.7
133.06502	1.4
133.10109	14.3
135.08047	2.3
135.11740	3.0
137.05966	15.2
137.09587	4.4
145.10115	6.8
147.07982	1.0
147.11678	13.1
149.09610	6.8
149.13237	3.1
151.11162	5.9
157.10060	5.0
159.11700	4.1
161.09637	2.6
161.13277	3.2
163.11191	4.8
163.14853	1.1
165.12753	11.1
169.10100	1.1
171.11682	1.4
173.13255	2.0
175.11160	4.8
177.12737	1.4
183.11650	1.6
191.14307	1.4
193.12263	3.8
207.13780	1.1
215.17935	0.9
229.19424	1.1
239.17958	3.1
247.20718	1.0
257.18927	4.4
262.09888	2.2
263.07068	1.6
275.20047	36.3
276.20328	1.3
278.09335	1.9
293.11887	5.2
293.21085	28.2
294.12155	2.4
294.21442	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03932	3.0
55.01867	9.9
55.05250	1.1
55.05503	15.0
57.03423	3.2
57.07051	2.9
59.04987	0.9
65.03928	2.1
67.05495	31.1
68.05826	0.9
69.03432	1.6
69.07059	12.5
71.04984	4.3
71.08611	2.3
71.49292	0.8
75.62974	0.8
77.03908	1.2
79.05482	35.8
81.03413	5.7
81.07045	100.0
83.04964	5.2
83.08612	7.0
85.06517	2.6
91.04939	1.8
91.05472	22.4
93.07037	19.8
95.04952	15.6
95.08595	15.6
96.05277	1.0
97.06506	8.5
97.10142	2.9
98.22688	1.8
99.08072	3.4
105.07011	20.5
107.04947	5.5
107.08580	13.1
109.06503	44.6
109.10129	7.6
111.04463	1.7
111.08073	5.0
113.06053	0.9
113.09613	0.8
117.07011	6.3
119.08558	19.2
121.06477	3.2
121.10151	7.8
123.08058	9.5
123.11661	2.2
125.09617	6.4
127.07575	0.8
127.11105	0.9
129.07002	2.8
131.08539	8.3
133.09180	1.2
133.10112	16.8
135.08014	4.1
135.11650	3.8
135.24527	1.0
137.09625	4.5
143.08571	1.3
145.10104	7.8
147.11668	15.2
147.12712	0.7
149.09596	10.6
149.13260	3.3
151.11156	8.2
157.10074	4.1
159.11673	5.9
161.09610	2.4
161.13177	1.8
163.03888	1.3
163.11162	7.9
163.14717	1.2
165.12732	5.6
167.10695	1.1
169.10107	1.7
171.11649	2.4
173.13243	3.6
175.11137	5.0
175.14732	1.4
177.05423	1.2
177.12683	4.1
179.14401	1.1
181.12273	0.9
183.11629	1.6
187.11118	1.3
187.14757	1.3
189.12688	1.2
191.10664	1.2
193.12239	3.3
197.13190	1.8
201.12668	1.1
205.12218	1.4
205.15865	1.2
207.13664	1.0
211.13087	1.0
215.14163	1.1
219.08006	1.7
223.13242	1.8
229.19467	2.3
235.07500	2.1
237.11366	1.2
239.17944	3.5
244.56876	0.8
247.07494	2.4
247.20430	2.5
251.10406	1.2
257.18976	6.2
262.09885	3.3
263.07025	2.8
275.20047	36.3
276.20432	1.9
278.09305	4.0
279.10294	1.3
293.11761	9.4
293.21051	39.2
294.12277	1.4
294.21457	1.0
296.37997	0.9
309.13303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
50.95253	2.7
53.03941	4.0
53.59356	2.4
55.01865	23.3
55.05253	5.1
55.05506	77.7
57.03423	3.1
57.07065	5.6
67.01745	2.7
67.05500	48.0
69.03414	2.9
69.07053	13.3
69.82925	5.9
69.83287	4.5
71.04988	4.7
73.00444	2.6
75.59039	2.3
79.05486	81.3
81.03422	3.6
81.07049	47.2
83.04965	17.2
83.08617	35.3
85.06538	2.9
91.05476	36.3
93.07043	48.7
95.04969	19.1
95.08588	15.2
97.06506	22.8
97.10162	33.4
105.07019	31.6
107.04935	44.5
107.08586	69.0
109.06493	10.7
109.10140	25.1
111.04413	4.2
111.08080	5.5
117.06985	9.3
119.08562	27.1
121.06470	3.1
121.10134	21.2
123.08102	3.0
123.11682	9.1
125.09604	39.9
131.08551	12.3
133.10123	20.8
135.08015	12.5
135.11653	5.0
143.08524	2.9
145.10062	14.2
147.11681	17.3
149.09607	90.9
149.13278	2.7
153.09084	4.6
159.11687	10.9
161.13173	5.9
163.11156	5.9
169.12277	3.8
173.11751	5.0
173.13231	5.1
187.13185	2.8
189.11171	27.1
223.13408	3.2
229.19647	6.3
247.20535	6.2
257.18988	21.2
275.20029	100.0
276.20413	4.6
287.37262	2.8
293.11792	3.5
293.21237	17.0
309.46997	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	14.8
54.03722	3.1
55.01857	10.7
55.05503	46.8
57.03429	9.0
57.07072	5.0
67.05499	43.7
69.07060	39.3
69.09920	7.3
69.10341	16.2
71.04985	7.8
75.88089	3.5
79.05486	64.6
81.03401	23.6
81.07045	66.5
83.04966	10.4
83.08607	50.1
85.06514	5.6
91.05471	48.6
93.07034	55.6
95.04965	33.8
95.08591	32.6
97.06523	9.6
97.10171	5.2
98.13479	2.9
105.07014	34.2
107.04935	77.5
107.08583	35.1
109.06500	20.8
109.10120	8.6
111.08073	13.7
117.07014	12.9
119.08564	25.9
121.06489	7.9
121.10136	33.2
123.08085	5.7
131.08533	15.7
133.10107	23.8
135.08038	36.6
135.11679	7.4
137.09598	5.4
139.11157	6.9
145.10120	26.6
147.11646	20.2
149.09590	25.3
151.11150	5.5
155.08519	3.9
159.11667	9.3
161.13199	6.3
163.03882	10.3
163.11157	19.8
165.12723	4.8
171.10066	3.2
171.11552	4.0
173.09656	8.6
173.13239	8.0
175.11147	3.1
178.87784	3.5
191.10780	5.2
201.12653	4.0
203.12808	4.0
207.13588	4.1
209.11703	10.7
237.11189	13.1
239.17990	5.2
247.07440	6.8
247.20497	11.1
257.19022	15.8
262.09802	5.1
275.20029	100.0
276.20322	5.1
278.09354	6.9
293.11877	19.0
293.16074	6.5
293.21118	72.1
294.12039	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	3.0
55.01869	9.4
55.05506	66.5
57.03420	3.2
57.07069	3.0
59.92503	1.2
60.70512	1.1
65.03920	2.3
65.59667	1.3
66.63015	1.2
66.84177	1.2
67.05495	41.5
69.03423	4.2
69.06714	1.1
69.07060	17.0
69.86522	4.2
71.04974	4.4
79.05482	48.6
81.03404	9.6
81.07046	36.1
83.04966	7.5
83.08611	39.1
85.02887	3.4
85.06522	3.3
91.05469	25.4
93.07034	39.7
95.04956	100.0
95.08598	18.3
97.06515	5.1
97.10152	27.6
99.08051	1.6
101.66272	1.1
105.04494	1.5
105.07016	24.4
107.04944	16.5
107.08578	43.1
109.06518	10.9
109.10130	15.1
111.04436	2.0
111.08076	6.7
117.07000	7.1
119.08568	19.2
121.06490	6.6
121.10119	18.1
123.08065	6.1
123.11686	4.3
125.09614	26.2
129.07001	3.2
131.08537	14.5
133.10098	15.8
135.08044	9.4
135.11674	8.3
137.09595	4.2
139.07591	1.2
139.11163	1.5
141.06915	1.6
143.08553	3.1
145.10123	21.8
147.08005	5.5
147.11690	9.5
149.09596	67.4
149.13206	1.4
150.09930	2.6
151.11124	2.8
153.09125	3.4
155.08543	1.9
157.10136	2.9
159.11676	12.3
161.09615	2.4
161.13264	3.6
163.11163	28.5
165.12711	3.4
169.10069	2.5
171.10181	1.6
171.11565	2.9
171.47305	1.1
173.09534	1.8
173.11768	2.1
173.13272	3.8
175.11224	2.9
177.12766	4.4
180.15506	1.2
181.12170	1.8
183.11650	1.9
185.13130	1.5
187.11140	4.5
189.11198	15.6
191.10684	1.6
191.74261	1.2
193.12134	1.7
197.13155	1.8
205.12231	5.2
209.11673	2.2
211.13264	1.7
223.13278	44.7
224.13547	1.4
229.19479	3.5
237.11290	3.2
237.14896	2.5
239.17915	3.7
247.20531	3.2
257.18964	10.7
262.09756	1.8
275.20026	95.7
276.20374	3.5
278.09164	1.4
293.11829	2.6
293.21063	83.1
294.21375	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	293.2108
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03927	0.4
55.01871	0.6
55.05506	3.5
57.03414	0.2
57.07054	0.9
58.08797	0.2
65.03934	0.4
67.05169	0.3
67.05499	4.3
69.07062	2.5
69.65636	0.3
69.65968	0.6
71.04984	0.6
71.08607	1.5
73.27839	0.3
79.05479	4.3
79.90821	0.2
81.03400	1.1
81.07044	5.1
83.04949	0.9
83.08598	1.7
85.06537	0.4
91.05457	2.3
91.46595	0.3
93.07033	3.6
94.07357	0.2
95.04956	5.0
95.08590	2.0
97.06499	0.5
97.10141	0.6
98.22734	0.5
99.08076	0.9
101.06035	0.4
105.07006	1.9
107.04945	3.9
107.08591	1.9
108.05725	1.9
109.05949	0.2
109.06527	2.6
109.10156	0.6
111.08064	0.3
117.06984	0.9
119.08553	1.2
121.06501	7.9
121.10120	1.1
122.10488	0.3
123.08040	0.8
125.09611	0.6
131.08554	1.3
133.10114	0.9
135.08058	1.0
135.11699	0.6
143.08492	0.3
145.06468	0.3
145.10098	1.0
147.08034	0.3
149.09602	1.1
151.11154	2.0
159.11656	0.7
163.03934	0.5
163.11189	0.6
164.11908	1.8
165.12706	1.4
177.12741	1.8
191.10616	0.5
209.11755	0.5
211.47137	0.3
219.13828	0.5
223.13208	0.4
236.27632	0.2
237.11179	0.9
237.14864	0.8
239.06598	0.3
247.07481	0.2
247.20547	0.3
262.09888	0.4
275.20041	2.5
278.09354	0.5
293.12262	1.5
293.21057	100.0
294.12445	0.5
294.21411	4.0
301.22928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03930	6.3
54.53236	2.8
55.01873	13.7
55.05506	36.4
57.03428	4.0
57.07066	4.5
59.54564	2.1
67.05154	3.8
67.05497	55.0
69.03426	2.7
69.07059	23.0
70.30568	5.4
71.04976	5.2
79.05483	51.6
81.03414	7.6
81.07044	84.7
83.04964	5.5
83.08614	18.2
85.06519	4.5
91.05470	35.4
91.05990	3.9
92.98673	1.9
93.07036	37.0
95.04946	18.3
95.08589	42.6
97.06527	13.7
97.10144	14.4
98.10487	2.2
105.07015	37.0
107.04949	10.6
107.08581	52.5
108.08966	2.3
109.06504	22.6
109.10142	23.8
111.08054	5.4
117.07004	9.9
119.08564	27.5
121.06493	6.4
121.10139	18.9
123.08050	11.7
123.11696	5.7
125.09611	19.4
129.06863	2.4
131.08549	18.0
133.10118	25.7
133.28517	2.4
135.08038	8.4
135.11681	12.9
137.09637	10.7
139.11095	2.4
145.10088	15.4
147.08038	2.2
147.11667	18.7
149.09595	20.0
149.13228	5.4
151.11169	8.6
155.04872	2.3
157.10083	5.5
159.11665	11.9
161.09673	2.7
161.13254	4.9
163.11147	10.6
165.09123	7.8
165.12752	4.7
169.10020	2.8
171.11635	4.3
173.13274	6.8
175.11194	5.2
177.12653	5.4
187.11124	3.9
187.14760	3.1
189.11174	9.1
193.12169	3.6
197.13126	5.1
223.13255	3.6
229.19440	3.5
239.17821	5.9
247.20486	8.7
257.13116	2.3
257.18976	13.4
275.20029	100.0
276.20435	5.2
279.10242	4.3
293.11481	2.7
293.21017	32.2
294.12402	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	6.9
55.01871	13.8
55.05507	50.3
57.03423	6.2
57.07075	4.2
65.03916	3.2
66.92988	2.3
67.05495	67.0
69.03416	4.2
69.07062	36.8
69.10888	16.8
71.04993	7.3
73.20375	3.0
79.05488	65.3
81.03401	11.0
81.07047	71.3
83.04964	12.1
83.08607	24.2
85.06554	6.7
91.05473	46.3
93.07032	47.4
95.04954	25.4
95.08600	47.5
97.06519	13.4
97.10153	32.1
98.22694	5.2
98.97625	3.1
101.06067	2.3
103.05450	2.8
105.07024	43.7
107.04931	15.7
107.08582	74.9
109.06518	18.6
109.10141	21.9
111.08094	5.8
115.81001	2.6
117.06998	10.8
119.08569	29.1
121.06507	5.7
121.10113	17.4
123.08074	9.3
123.11713	7.7
125.09622	23.6
129.06999	3.7
131.08530	17.7
133.10110	27.1
135.08057	10.0
135.11705	7.1
137.09610	7.6
139.11159	3.7
145.10098	15.1
147.11699	17.9
149.09581	20.2
149.13242	4.6
151.11180	6.6
153.09033	4.3
155.08502	4.2
157.10086	5.7
159.11630	12.5
161.13257	7.3
163.03830	3.4
163.11186	10.9
164.19131	2.4
165.09087	6.9
171.11702	5.1
173.11836	2.8
173.13254	10.1
175.11246	4.1
177.12781	4.0
187.11147	4.5
187.14713	2.9
189.11227	18.1
191.08646	3.1
191.14334	2.8
203.12697	5.3
219.08080	5.0
222.06686	2.4
229.19514	6.7
235.07513	4.0
236.08273	4.4
237.08952	3.3
239.17998	4.8
247.07492	3.7
247.20517	7.6
251.10744	5.5
257.18988	13.0
262.09991	3.0
275.20044	100.0
276.20340	4.6
278.09421	3.0
279.10098	8.8
293.11581	10.4
293.17874	4.8
293.21033	46.0
294.12375	16.4
294.18378	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03923	3.6
54.45861	1.1
55.01863	6.6
55.05501	13.7
57.03414	2.7
57.07048	1.2
65.03919	3.3
67.05490	33.0
69.03410	2.0
69.07052	12.8
71.04977	2.3
71.08589	1.1
79.05040	2.1
79.05481	45.1
81.03416	5.9
81.07043	100.0
83.04948	5.3
83.08620	7.5
83.25282	1.0
85.06516	2.4
91.05460	27.6
93.07024	20.8
95.04962	13.8
95.08588	20.4
97.06516	8.4
97.10155	5.4
99.08082	3.0
105.07014	24.6
107.04948	5.0
107.08571	25.7
109.06498	46.9
109.10136	8.7
111.04429	2.0
111.08021	2.9
113.82718	0.9
117.06997	5.8
119.08567	18.5
121.06472	3.8
121.10125	6.0
123.08054	10.3
123.11659	2.2
125.09597	4.6
129.06947	2.8
131.08543	12.7
133.06487	1.2
133.10100	19.9
135.08029	4.3
135.11671	5.4
137.09596	4.1
143.08542	2.9
145.10112	8.7
147.08057	2.1
147.11659	14.9
149.09598	11.9
149.13228	4.6
151.11157	11.3
153.09036	1.4
155.08502	1.0
157.10104	2.8
159.11674	6.7
159.47128	1.2
161.09624	1.7
161.13245	3.1
163.11136	6.5
165.08977	1.3
165.12726	3.2
169.10123	2.7
171.11618	2.6
173.13261	3.8
175.11136	6.0
177.12744	4.2
179.08464	1.4
179.14380	1.1
187.14737	1.5
189.06970	2.3
189.11205	3.4
191.14185	1.5
193.12224	4.2
195.13646	1.3
202.07793	1.3
207.07990	6.8
207.13782	1.5
211.13077	1.2
217.06367	1.7
218.07082	2.0
219.08040	10.3
219.17566	1.4
229.19485	3.3
233.09616	2.1
235.07506	17.3
236.08119	1.3
239.17886	5.2
246.06720	1.7
247.07530	21.4
247.20563	2.6
248.07932	2.9
249.08998	2.4
250.09731	1.2
251.10535	1.2
257.18936	9.1
262.09836	24.6
262.12494	0.9
263.07013	19.8
263.10007	1.9
275.20010	56.6
278.09332	27.1
279.10034	1.6
293.11670	80.7
293.20996	32.3
294.12152	7.8
294.21301	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62519	1.3
53.03946	2.0
55.01861	4.0
55.05497	22.4
57.03412	1.3
57.07059	5.7
65.03929	3.2
67.05492	90.3
68.05822	1.3
69.03396	1.3
69.07053	14.0
71.05002	1.7
73.35364	1.3
79.05474	29.1
79.52506	1.3
81.07041	100.0
83.04969	4.2
83.08599	12.1
85.06529	3.8
86.89728	1.2
91.05451	14.7
93.07036	20.8
95.04958	20.1
95.08587	71.0
95.58398	1.2
96.08924	1.8
97.06534	3.5
97.10154	7.0
105.07021	12.0
107.04934	6.2
107.08572	23.7
108.08846	1.6
109.06490	5.5
109.10138	31.4
111.04447	1.8
111.08060	1.6
117.06995	4.8
119.08552	9.2
121.06511	3.2
121.10123	13.7
123.08017	3.2
123.11680	19.2
125.09615	5.2
129.06967	2.1
131.08543	10.2
133.10130	7.9
135.08066	5.2
135.11670	9.4
137.09608	3.9
137.13248	9.1
145.10091	9.4
147.11684	5.0
149.09599	13.1
149.13231	3.2
151.11157	3.0
151.14809	2.9
155.08493	1.4
159.11659	7.2
161.13245	5.1
163.03824	2.9
163.11166	5.9
163.14795	2.4
165.12680	3.2
166.54861	1.4
171.11714	1.7
173.13269	6.4
177.12730	3.5
177.16360	2.3
179.14240	2.2
181.04938	1.9
187.14778	2.6
189.11259	1.7
191.10611	2.0
191.14294	2.4
209.11693	1.6
209.15244	1.6
217.12102	1.4
219.83714	1.3
223.13225	2.6
235.07558	1.5
237.11197	4.5
237.14790	1.6
237.18803	1.4
239.17805	1.4
242.40315	1.3
243.21082	4.7
247.07645	1.9
257.19061	3.7
261.22205	6.9
261.24585	1.4
262.09808	2.2
263.07062	1.6
275.20041	26.4
276.20590	1.5
278.09366	2.0
293.11752	6.7
293.21057	24.4
293.24722	9.8
294.12451	1.6
294.21585	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	293.2835
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03939	1.0
55.01857	1.6
55.05503	20.9
57.03426	1.4
57.07068	10.1
65.03939	1.0
67.05495	29.9
69.03429	1.9
69.07057	37.0
71.05000	1.5
71.08619	3.2
71.43900	1.0
71.81317	0.7
72.08176	0.7
75.60484	0.7
79.05479	11.9
81.07047	98.9
82.07361	1.3
82.63094	0.7
83.04956	1.4
83.08614	18.2
85.06539	8.8
85.10166	1.5
91.05460	4.2
93.07029	14.0
93.07597	1.1
95.04958	1.9
95.08594	78.1
96.08938	1.4
97.06526	1.7
97.10155	10.8
99.08056	7.2
103.05467	1.5
105.07020	4.2
107.08575	14.6
107.09262	1.5
109.06493	2.2
109.10140	48.8
110.10433	1.0
111.08045	2.3
111.11700	7.1
113.09637	2.3
117.06978	1.3
119.08570	3.8
121.10119	9.4
123.08048	1.2
123.11694	23.8
125.09637	2.5
125.13274	1.9
127.03925	0.7
127.11166	0.9
131.04938	2.6
131.08589	1.1
133.10132	2.8
135.07997	1.2
135.11700	7.9
137.09583	1.3
137.13228	10.8
139.11130	1.7
145.10123	1.1
147.11719	1.3
148.12732	0.8
149.09593	2.1
149.13208	8.5
151.14783	6.5
157.10185	1.0
159.11591	1.1
163.03967	1.9
163.14784	3.3
165.16365	3.0
172.83910	0.9
173.13271	1.1
177.16293	1.8
178.07765	1.0
179.08635	0.9
179.17926	1.9
189.06956	0.8
190.07747	2.5
191.08513	8.6
191.17920	1.2
192.09326	1.1
194.07228	1.5
202.07755	2.3
203.08528	2.7
205.06487	1.3
205.19441	1.7
206.07246	1.2
207.08038	2.7
208.08800	5.9
218.07231	2.9
219.07985	7.3
220.08807	14.3
221.06027	1.6
221.09569	6.9
222.10339	1.1
223.07635	1.0
223.11127	6.0
223.20477	1.5
233.09558	4.8
234.10278	1.1
235.07568	4.7
236.08270	27.8
237.08966	1.9
247.07523	2.0
248.08356	2.1
249.09091	2.7
250.09888	4.0
251.10638	29.9
263.07132	1.0
263.10480	1.8
264.07684	2.0
275.19995	2.8
275.27338	3.0
278.09384	3.7
279.10123	47.2
293.08194	1.2
293.11575	5.5
293.17093	1.0
293.21057	3.2
293.28265	19.5
294.12451	100.0
302.72650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1247
Annotation	GYKI 52466
Peak:m/z	Relative Intensity
61.65495	0.1
69.03357	0.2
81.09086	0.1
89.83298	0.1
95.09328	0.1
98.23446	0.4
159.30476	0.1
159.92085	0.1
163.41289	0.1
164.92403	0.1
165.06953	0.7
166.07687	0.1
177.06857	0.2
178.07730	1.5
179.08466	0.3
180.09319	0.4
181.06436	0.3
189.06909	0.9
190.07742	2.7
191.08525	9.2
192.09258	1.4
193.06470	0.4
193.10098	0.6
194.07249	2.4
194.31841	0.1
195.08012	0.6
201.06998	0.2
202.07732	2.1
203.08504	2.5
204.05670	0.2
204.09253	0.3
205.06422	1.0
205.10030	0.7
206.07237	1.6
207.08015	2.8
208.08788	5.7
209.09427	0.4
217.06393	0.1
218.07224	2.6
219.08008	8.7
220.08791	14.4
221.06212	1.2
221.09554	7.3
221.11809	0.2
222.06848	0.6
222.10318	0.7
223.07477	0.7
223.11130	7.1
224.08266	0.1
224.11507	0.3
229.07593	0.2
231.08055	0.2
232.08781	0.4
233.06068	0.6
233.09581	4.5
234.06668	0.7
234.10294	0.6
235.05617	0.1
235.07489	4.6
236.08272	28.7
237.08804	2.0
239.10741	0.3
246.06740	0.1
247.07568	1.1
248.08298	2.3
249.05440	0.3
249.09070	3.4
250.09833	4.2
251.10631	27.8
252.07927	0.2
252.10963	0.9
261.09097	0.5
262.09875	0.2
263.06998	0.4
263.10605	1.7
264.07773	2.2
264.10773	0.2
265.08563	0.2
267.10141	0.2
277.08566	0.2
278.09311	1.0
278.57300	0.1
279.10104	43.7
280.10391	1.9
293.11649	0.3
294.12439	100.0
295.09552	2.0
295.12817	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	294.2061
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
50.53993	0.3
55.05502	0.7
57.07063	0.5
66.04692	0.4
66.15044	0.3
66.64048	0.3
67.05484	1.7
68.00446	0.3
68.05838	0.4
69.07052	0.5
69.85719	0.6
69.86071	0.9
71.08588	0.5
77.95845	0.3
78.24280	0.3
79.05488	1.7
81.07040	3.5
82.07388	0.5
83.08595	0.4
85.02015	0.3
91.05459	1.2
93.07005	0.5
94.04171	2.5
95.04939	1.1
95.08562	0.9
96.08889	0.4
97.10133	0.4
107.04926	0.5
107.08558	0.7
109.06479	1.2
109.10162	0.6
110.06812	0.8
119.08572	0.4
121.10130	0.3
122.03627	6.8
123.11676	1.6
134.10513	0.4
137.05949	100.0
138.06291	1.6
152.27838	0.3
158.15343	2.0
170.15381	2.5
183.91550	0.3
208.08322	0.4
219.07874	0.3
236.07974	0.5
240.03967	0.3
247.33923	0.4
248.07942	0.4
276.20419	1.5
279.09995	0.8
294.12399	1.9
294.21341	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2063
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
51.02354	0.3
53.03947	0.3
55.01875	0.2
55.05495	1.2
57.07072	1.6
59.63067	0.2
67.05478	1.3
69.07042	0.7
71.04989	0.4
71.08615	1.4
71.44593	0.2
72.71574	0.3
79.05477	1.6
81.03410	0.4
81.07043	2.5
82.07348	0.2
83.08617	0.6
88.07629	0.4
91.05459	1.0
93.07027	0.9
94.04159	2.4
95.08594	1.6
97.10166	0.4
105.07020	0.7
107.04979	0.4
107.08585	0.6
109.06496	0.6
121.10128	0.5
122.02792	0.5
122.03631	7.2
122.04521	0.4
125.09601	0.5
133.10023	0.3
137.05952	100.0
138.06282	1.7
141.12733	2.6
151.11223	0.3
158.15346	1.6
221.09576	0.3
236.08220	0.4
236.34448	0.3
239.57137	0.3
248.07877	0.4
251.10675	0.4
263.10019	0.3
276.20523	0.5
277.21576	1.0
279.09995	1.6
294.12192	2.3
294.20868	0.6
299.83026	0.3
313.02249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.081
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
50.05281	0.8
55.01863	2.3
56.96554	1.3
57.03432	6.6
61.02920	1.8
69.03414	8.6
69.07063	1.0
69.35447	4.3
71.01357	1.2
73.02907	12.0
80.78645	0.8
81.03412	1.2
81.07064	1.6
83.04988	1.0
84.04505	2.3
85.02900	12.4
86.09702	3.3
87.04472	2.2
87.57706	1.0
89.03925	3.0
91.05486	1.0
93.07002	0.9
97.02874	8.3
98.23424	1.7
98.97564	2.6
99.04424	0.9
101.02385	2.2
103.03937	8.8
103.05446	2.2
107.69734	1.0
115.03909	6.4
115.05437	2.0
116.98621	1.7
117.03367	2.9
119.04936	1.2
120.08095	4.8
123.04436	2.6
125.26871	0.9
127.03921	2.1
130.06505	4.1
131.04909	2.9
133.04945	4.5
133.06470	1.0
134.99586	1.2
135.04382	23.3
143.04921	3.4
145.02881	2.5
145.04965	1.3
147.04364	10.2
149.05989	1.7
151.03802	0.9
157.06444	1.2
159.04367	1.0
161.05975	5.3
163.03874	100.0
164.04332	2.9
165.05489	1.5
166.08582	1.0
171.04385	1.9
173.05959	2.1
175.03862	6.4
177.05446	4.5
179.03445	1.0
185.05962	2.1
187.03793	1.4
189.05443	7.1
191.03394	1.4
193.04930	42.9
194.05269	1.0
203.07002	1.5
205.05009	2.9
213.05437	3.9
217.04825	4.5
231.06442	4.8
235.05995	3.1
250.10690	1.0
259.05923	2.4
271.01251	1.3
277.06943	2.1
277.11920	1.4
288.92404	1.1
295.08041	11.7
295.13208	1.8
295.16721	1.7
296.15759	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	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
54.84660	1.0
55.01855	4.2
56.84273	1.0
57.03430	63.8
59.04988	3.9
61.02920	18.7
62.80596	1.0
63.25734	0.9
69.03423	74.0
69.19695	3.8
69.20093	2.4
70.03783	1.1
70.19358	0.9
71.01346	12.3
73.02909	100.0
81.03409	6.7
85.02898	89.4
86.03230	1.2
87.04455	14.4
91.03945	2.0
91.05452	1.7
97.02883	82.2
99.04425	4.2
103.03919	2.7
109.02880	5.2
115.03920	64.4
127.03898	14.4
133.04951	23.5
133.05907	1.7
136.07547	4.2
139.03943	1.1
140.32996	1.2
145.04938	14.2
163.06046	4.1
169.04909	1.5
193.04955	1.6
211.05927	1.1
212.95207	1.0
223.05984	2.8
235.07486	1.1
241.07048	3.3
259.08093	1.5
295.17044	1.3
309.78467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01855	2.7
57.03435	23.1
58.29807	0.7
59.05004	4.6
61.02915	4.0
65.76143	0.8
67.05498	1.2
69.03423	100.0
70.03746	1.0
71.01341	2.4
71.04971	1.8
72.85514	0.7
73.02914	5.9
75.04456	1.9
76.07194	0.8
79.05479	2.6
81.03415	13.9
83.01327	1.1
83.04963	1.9
85.02896	56.0
87.04458	41.5
87.05006	1.2
88.03995	1.0
91.03936	1.8
91.05458	1.3
95.04965	2.3
97.02882	54.7
98.03210	0.9
99.04438	11.0
101.02374	1.7
103.03915	10.3
107.04941	1.9
109.02869	4.5
111.04444	2.5
113.02382	1.0
115.03920	52.2
117.05473	1.9
119.04925	0.9
121.06538	1.1
123.04417	3.9
124.07497	1.0
125.02324	1.9
127.03903	12.4
133.04950	46.0
135.04387	1.3
139.03864	1.5
141.05460	1.1
143.03288	1.0
145.04955	17.9
146.05991	1.2
147.04433	1.1
151.03918	2.3
151.06964	0.9
157.04971	1.8
161.04448	1.8
165.05440	1.5
169.04898	6.1
175.05983	1.0
187.06021	1.6
193.04901	1.9
199.05960	1.3
211.05991	1.7
223.05939	1.1
229.07086	2.2
241.07011	2.7
259.08127	3.5
277.09174	5.8
295.06027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	3.6
55.05500	1.7
55.98325	0.9
57.03431	26.0
59.04996	5.6
59.55421	1.1
60.30134	0.9
61.02914	3.7
67.05505	1.7
69.03422	100.0
69.12397	3.3
69.12801	2.6
71.01346	3.2
71.05008	2.9
73.02910	7.7
75.04504	1.3
79.05470	1.6
81.03407	14.6
81.07089	1.4
83.05003	2.5
85.02893	66.6
87.04456	45.9
91.05475	2.3
94.04063	1.0
95.04950	2.5
97.02882	60.9
98.03268	1.1
99.04452	10.6
101.02382	1.2
103.03918	7.2
107.04933	1.0
108.93314	1.1
109.02879	4.8
111.04441	2.7
114.92196	0.9
115.03915	53.5
117.05435	2.4
123.04430	3.5
123.06702	1.5
125.02294	1.3
127.03915	10.3
133.03932	2.4
133.04948	48.6
139.03824	2.0
145.04932	19.3
150.07732	48.8
151.03899	2.1
161.04416	1.8
163.05983	1.3
165.05516	1.5
169.04947	4.6
177.05600	1.1
181.05058	1.2
211.06055	1.2
229.07114	2.5
234.64670	1.2
241.07076	3.1
259.08191	2.7
277.09183	5.4
302.40091	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01860	3.1
55.05505	0.9
56.62379	0.6
57.03428	24.1
57.04565	0.6
59.04982	4.3
61.02914	4.1
66.38373	0.7
67.05490	1.5
69.03416	100.0
69.44584	1.7
70.03739	1.3
71.01347	1.8
71.04975	2.0
72.01691	0.6
73.02904	5.9
75.04468	2.4
79.05465	0.8
81.03407	15.7
83.01337	1.8
83.04965	2.2
85.02890	60.5
86.03204	0.8
87.04453	43.8
90.89816	0.7
91.05471	1.6
95.04945	1.5
97.02876	59.4
98.03192	0.8
99.04436	12.2
101.02378	1.4
103.03920	7.1
107.04931	1.6
109.02874	5.2
111.04435	2.1
113.02360	1.4
115.03910	52.4
117.05450	2.1
119.04931	1.2
123.04430	4.8
125.02403	1.2
127.03902	13.9
133.04941	55.7
135.04453	1.4
137.05939	0.8
139.03848	1.3
141.05505	1.1
143.21986	0.6
145.04926	19.5
150.07730	17.3
151.03905	2.7
157.04976	1.6
161.04422	2.3
163.03879	2.0
163.06070	1.0
165.05505	1.6
169.04939	6.2
177.05502	0.8
181.05051	1.0
187.06017	1.7
193.05003	1.1
199.06105	0.8
205.07108	1.3
211.06010	1.5
223.06082	1.6
229.07082	1.9
241.07030	3.4
243.89786	0.7
259.08170	2.6
277.09146	6.8
295.16739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03945	1.8
55.01863	4.1
57.03432	22.6
59.04990	4.2
61.02922	3.6
64.48570	0.8
69.03423	100.0
69.67216	1.5
70.03760	1.2
71.01350	2.1
71.04992	2.1
73.02914	5.7
75.04459	1.5
81.03409	12.9
83.04973	1.8
85.02895	58.5
87.04458	45.1
95.04985	1.8
97.02880	53.1
98.03245	0.8
98.23394	1.0
99.04438	11.1
101.02348	1.4
103.03934	8.3
106.90173	0.9
107.04951	1.0
109.02897	4.4
111.04447	2.4
113.02359	1.3
115.03917	52.3
116.04250	1.0
117.05437	1.9
122.83482	0.8
123.04428	3.2
125.02299	0.9
127.03892	10.5
133.04951	47.6
136.07568	3.9
139.03885	1.8
143.03416	1.1
145.04933	21.0
151.03889	1.8
151.93062	0.9
153.05466	0.9
157.04933	1.1
161.04393	1.0
169.04904	6.6
181.04990	1.0
199.06075	0.9
211.06047	1.3
211.81133	0.9
223.05884	1.2
229.07062	2.2
241.07109	3.1
247.31102	0.7
259.08102	3.2
277.09094	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.79332	1.1
53.03943	1.4
55.01865	1.9
57.03431	19.9
59.04988	5.1
60.98587	1.1
61.02922	3.5
67.05468	1.4
69.03422	100.0
69.12141	2.8
69.12540	6.2
71.01359	1.7
71.04961	1.4
73.02903	8.2
75.04479	2.0
81.03403	13.2
83.01350	1.6
83.04974	2.4
85.02896	58.0
87.04457	43.0
95.04965	1.9
97.02883	59.2
99.04443	12.2
103.03906	6.4
109.02876	3.9
111.04422	2.8
113.02341	1.3
115.03921	50.7
117.05473	3.3
123.04448	4.8
127.03914	10.9
129.05455	1.3
133.04953	53.1
135.04428	1.7
139.03946	2.2
145.04953	23.5
151.03824	1.4
161.04448	1.2
163.02597	1.2
163.03914	3.1
169.04926	5.7
181.05052	1.1
187.06035	1.6
193.05011	2.2
211.06039	2.3
229.07048	3.2
241.07065	4.3
249.53810	1.4
251.02049	2.0
259.08096	3.1
277.09171	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	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03934	1.8
55.01864	1.9
57.03172	2.1
57.03429	24.9
59.04993	4.9
61.02908	3.6
67.05481	2.8
69.03419	100.0
70.03745	1.5
71.01337	2.3
71.04977	3.1
71.46123	1.4
73.02902	11.1
75.04434	1.6
79.05489	1.2
81.03400	14.3
81.07034	1.8
83.04964	3.9
85.02891	56.8
85.03407	2.8
87.03961	2.6
87.04456	36.4
91.05482	1.3
95.04974	2.4
97.02876	55.9
97.06467	1.4
99.04442	9.1
103.03957	6.1
105.40698	1.3
107.74077	1.4
109.02847	4.6
111.04484	1.5
113.02297	2.1
115.03910	46.2
117.05481	1.7
117.36801	1.1
123.04420	4.3
125.02327	1.7
127.03899	9.4
133.04948	46.5
139.90460	1.2
145.04944	16.3
147.04259	1.5
161.04443	2.0
165.05510	1.7
169.04915	4.7
211.05859	1.5
229.06966	1.8
241.07144	2.9
259.08084	1.9
277.09189	4.2
295.05966	1.6
295.09613	2.6
296.09866	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01868	2.7
55.05491	1.4
57.03428	26.6
59.04988	5.3
61.02921	1.6
67.05494	1.2
69.03421	100.0
70.70317	1.7
70.79703	1.0
71.01355	1.6
71.04989	3.1
73.02905	8.2
75.04472	2.1
79.05470	1.5
81.03407	13.8
83.04994	1.4
85.02895	58.5
86.03236	1.2
87.04459	47.5
91.05494	1.1
95.04955	1.8
97.02882	62.0
98.03230	1.3
99.04443	10.7
103.03922	7.1
103.05437	1.0
109.02882	3.9
111.04489	3.4
115.03917	55.9
117.05463	2.1
117.97471	0.9
123.04440	4.7
125.02321	1.5
127.03904	11.4
133.04950	50.1
135.04424	1.7
145.04961	18.3
147.04405	2.8
151.03856	2.8
161.04446	2.3
163.05922	1.2
169.04924	6.1
187.06071	1.4
211.06036	1.5
223.06061	1.1
224.32748	1.0
229.07013	2.0
241.07033	3.6
259.08130	2.7
277.09140	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	295.1021
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03942	3.9
53.60590	1.9
54.26494	2.1
55.01861	3.2
55.05500	5.0
56.18600	1.9
56.64850	2.4
57.03426	16.2
57.07068	2.5
59.04984	5.5
67.05502	10.8
69.03419	78.0
69.07055	21.8
71.01347	2.8
71.04984	3.0
71.08626	2.3
72.11288	2.3
73.02905	6.9
78.10238	1.9
79.05475	4.7
81.03408	11.2
81.07039	22.7
82.07381	3.8
83.04988	5.0
83.08616	4.2
85.02895	51.1
86.48306	2.2
87.04459	30.4
91.05499	5.3
93.07029	6.9
94.74120	2.3
95.04963	5.5
95.08589	11.6
97.02879	47.0
99.04443	9.2
103.03931	6.9
103.05441	3.1
105.07044	3.5
107.08569	4.7
109.02876	6.6
109.10168	8.7
111.04449	3.3
111.11720	4.8
115.03909	37.5
117.07027	3.0
118.11726	2.6
119.08569	4.9
121.10159	5.0
123.04402	3.5
123.11676	3.9
127.03902	8.5
133.04951	36.9
139.11177	2.4
145.04941	14.0
149.02361	5.1
153.12775	2.3
169.04990	7.3
178.07811	5.6
179.08597	2.9
179.58742	2.5
181.06444	4.9
191.08389	7.5
192.08990	7.4
195.07939	2.5
198.52785	2.8
203.08257	2.9
204.77950	2.4
205.06473	2.6
206.07130	3.3
207.08008	6.3
208.08844	3.3
209.09297	4.2
219.07961	3.8
220.08487	6.9
221.09167	13.0
222.09970	4.6
223.07596	2.9
224.08269	8.2
224.11543	5.7
224.20052	2.4
225.09097	2.8
229.06966	3.2
234.09962	3.1
235.07487	8.6
235.11162	3.3
236.08174	8.7
237.06235	2.7
237.08652	21.7
239.10696	5.5
241.07025	3.4
249.09010	7.0
250.09605	3.1
251.06815	2.6
251.10570	4.8
252.08090	4.3
252.11015	22.9
263.07104	4.3
263.10599	3.3
265.08151	2.9
267.10208	6.6
277.08838	6.7
279.10062	3.8
280.10449	49.3
295.09579	63.1
295.12863	100.0
295.26596	4.5
296.09869	4.8
296.12946	6.1
296.19946	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	295.1326
Annotation	12-Demethylmultiorthoquinone
Peak:m/z	Relative Intensity
55.01860	0.9
55.05488	1.1
57.07065	1.0
60.92892	0.6
61.80669	0.5
67.05480	1.6
69.07049	1.3
79.05473	1.0
81.03407	0.7
81.07034	1.3
83.08624	0.8
84.18761	0.5
84.79980	0.4
85.10179	0.5
91.05462	0.8
93.07038	1.0
95.04911	0.5
95.08612	1.3
109.10154	0.6
113.09652	0.9
119.14008	0.4
121.10128	0.5
123.11658	0.5
133.10118	0.8
142.34706	0.6
147.74556	0.5
149.09569	0.6
156.54062	0.4
165.07045	1.1
167.08560	0.9
172.85240	0.5
178.07747	2.6
179.08521	3.0
181.06471	0.7
181.10083	0.7
191.08559	4.1
192.09340	2.7
193.10123	1.8
195.08034	1.1
196.08757	0.7
205.06424	0.6
205.10109	1.5
206.07300	3.5
206.10884	12.2
207.08031	7.3
207.11385	1.0
209.09538	0.6
215.08438	0.8
216.09297	1.8
219.08041	4.2
220.08824	4.0
221.09564	1.4
221.13261	4.9
223.07468	1.6
224.08334	1.0
225.12749	1.0
231.11664	1.5
233.09634	1.5
234.06917	2.7
234.10378	11.9
235.07507	10.0
235.11098	1.1
237.09102	0.9
238.10013	0.6
247.07509	1.2
248.08249	5.2
249.08842	1.2
249.12711	30.3
250.13095	1.5
251.07048	2.8
252.07797	14.3
253.08542	4.1
259.11142	2.3
261.09195	1.0
262.09872	15.5
263.10376	0.5
265.08542	4.7
266.09323	9.1
267.09979	0.6
277.12207	42.1
277.21490	0.9
278.12497	1.7
280.10919	8.5
295.13248	100.0
296.13553	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
50.65704	1.3
53.03947	6.0
55.01868	6.2
55.05253	1.9
55.05505	24.9
57.03425	2.5
57.07074	12.8
63.92773	1.2
67.05500	31.3
69.03421	2.7
69.07062	22.3
69.62865	2.4
69.63236	1.8
71.04993	2.3
71.08630	5.4
76.09461	1.1
79.05484	22.8
81.03403	18.4
81.07048	36.2
82.00622	1.6
82.51258	1.4
83.04977	11.6
83.08600	11.1
85.06534	2.7
85.10184	16.7
91.05472	13.9
93.07037	23.8
95.04963	17.1
95.08598	18.1
97.06522	5.6
97.10158	5.9
98.22754	2.9
99.08098	3.1
105.07029	12.9
107.04929	3.1
107.08587	13.4
109.06506	5.1
109.10143	11.5
111.08049	3.5
113.09633	14.8
117.60749	1.1
119.08576	7.3
121.10134	7.5
123.08067	3.3
123.11712	3.1
125.09619	4.7
127.11153	1.2
129.06952	2.1
131.08575	4.5
133.10101	5.8
135.11629	6.1
137.09612	3.0
141.12717	1.4
145.10104	1.6
147.11679	4.0
149.09618	4.9
149.13257	3.9
151.11163	8.0
153.12738	1.5
159.11642	1.8
161.13309	1.8
165.12733	27.3
167.14345	2.2
171.11697	1.5
179.14319	3.5
181.12236	1.3
189.11177	1.5
189.12840	1.9
189.55814	1.4
203.14140	1.3
207.13855	3.4
259.20776	2.9
277.21609	59.5
278.22064	3.5
295.12918	2.1
295.22690	100.0
296.23016	4.0
296.26282	1.5
296.29471	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03940	3.6
55.01861	6.0
55.05507	35.0
57.03427	5.1
57.07053	5.9
67.05495	81.8
67.05861	4.8
67.93480	2.5
69.03410	4.6
69.07059	40.4
71.04992	11.5
71.08620	41.1
79.05480	46.8
81.03410	7.9
81.07047	61.0
83.04980	12.1
83.08620	17.2
85.06535	4.3
89.98907	2.1
91.05471	28.1
93.07032	77.7
94.07352	2.9
95.04951	11.2
95.08592	100.0
97.06503	8.6
97.10140	14.6
98.23497	5.1
99.08074	35.1
105.07011	24.8
107.04881	2.4
107.08577	33.2
109.06509	5.8
109.10155	19.3
111.08096	6.1
111.63895	2.0
113.09636	4.4
117.06974	6.9
119.08554	16.2
121.06490	2.5
121.10121	37.2
122.10420	2.1
123.08035	4.3
123.11654	6.4
125.09600	5.6
129.07047	4.8
131.08543	9.3
133.06477	8.6
133.10118	16.5
135.11681	22.5
137.09637	5.4
139.11179	11.4
143.08536	5.5
145.10156	11.0
147.11653	12.2
149.09528	3.9
149.13197	15.2
151.11177	28.4
157.10062	4.8
159.11659	4.9
161.13220	16.0
163.11163	14.0
163.14796	4.0
165.12709	4.2
171.11629	6.9
175.14819	3.9
179.14262	13.6
185.13275	6.6
189.11177	2.5
189.12773	3.2
199.14818	2.8
203.12714	5.6
221.15459	3.3
237.12691	2.6
241.19499	7.7
259.20554	17.8
277.21597	70.9
278.21960	3.4
295.12704	3.3
296.25659	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	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	4.1
55.01865	15.5
55.05506	87.8
57.03440	1.8
67.05160	3.6
67.05499	47.0
69.07058	25.0
69.60358	5.7
71.04999	3.4
79.05482	21.3
81.03409	8.7
81.07044	49.0
83.04974	7.8
83.08610	100.0
85.06514	4.2
91.05472	36.6
92.28155	1.6
93.07040	29.0
95.04972	12.0
95.08593	24.5
97.06525	12.0
97.10171	4.1
98.23437	3.0
99.08068	3.6
105.07020	22.6
107.04955	2.7
107.08566	16.0
109.06490	7.8
109.10162	10.6
111.08062	24.4
117.07002	3.5
119.08579	19.4
121.10128	12.0
123.08080	2.3
123.11719	3.3
125.09592	2.8
127.07505	1.7
129.06975	7.6
129.09077	2.6
131.08560	6.1
133.10126	32.5
135.08061	2.4
135.11688	6.3
139.11171	15.6
145.10080	3.3
147.11682	24.0
149.09605	7.0
149.13243	23.6
151.11182	8.1
157.10176	8.6
159.11678	3.6
161.13232	4.5
163.11256	2.2
163.14845	2.3
165.12715	17.2
167.14293	4.0
171.11717	3.8
173.13235	2.6
175.11162	9.6
175.14772	3.8
179.14214	2.0
185.13292	3.3
193.12219	3.9
231.21074	1.9
241.19420	6.7
251.06665	1.7
259.20535	6.4
277.21606	30.9
295.22687	5.7
307.34262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
51.33931	3.2
53.03929	6.8
55.01855	17.0
55.05507	69.0
57.03426	8.6
57.07066	19.3
65.70942	3.4
67.05152	6.4
67.05497	90.8
69.03413	11.7
69.07060	51.9
71.04971	11.0
71.08617	12.6
71.34515	3.4
79.05484	73.0
81.03399	10.0
81.07045	100.0
82.07359	4.3
83.04971	29.3
83.08607	31.1
85.06536	13.2
85.10126	3.8
91.00330	3.2
91.05467	51.6
93.07035	93.3
95.04958	30.2
95.08598	71.7
97.02864	5.5
97.06510	17.6
97.10154	16.1
97.12303	3.3
99.08050	8.3
105.07024	44.0
107.08582	35.1
109.06506	14.2
109.10142	23.0
111.08045	17.7
113.09622	3.7
117.06955	8.6
119.08559	26.8
121.10160	30.2
123.08035	10.0
123.11722	9.9
125.09610	5.6
129.06993	7.1
131.08557	14.3
133.06485	24.5
133.07356	3.8
133.10126	25.1
135.11725	19.9
137.09575	4.2
137.13222	4.8
137.16048	3.4
139.11169	15.6
143.08548	5.7
145.10143	6.9
147.11678	23.1
149.13258	14.1
151.11179	10.0
153.12695	6.8
157.10092	8.6
159.11646	8.8
161.13252	14.9
163.11111	5.5
163.14818	4.4
165.12738	9.7
171.11676	7.0
173.13232	4.7
175.11215	9.6
175.14819	7.6
179.14253	6.1
185.13263	4.5
189.12776	4.4
193.12160	7.8
193.78693	4.6
207.13795	5.4
218.63586	3.5
221.15367	5.4
241.19397	4.6
249.22151	5.5
259.20551	6.7
277.21622	82.6
295.12390	5.1
295.19379	5.5
295.22650	81.8
297.72443	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.92901	3.9
55.01868	13.9
55.05511	40.4
57.03437	8.7
57.07068	24.6
58.72957	4.3
64.15816	4.5
64.81203	4.0
67.05495	87.5
69.07065	39.1
69.83230	9.4
69.83581	9.1
71.04980	8.8
71.08616	48.8
79.05486	66.8
81.03420	10.9
81.07052	93.9
83.04961	15.8
83.08607	32.8
85.06508	7.4
91.05466	33.1
93.07034	86.5
95.04947	15.4
95.08607	69.6
97.06533	10.3
97.10146	13.1
98.22761	5.1
99.08102	36.3
105.07005	27.4
107.04942	7.5
107.08586	64.7
109.10159	25.2
111.08070	7.4
113.09571	4.7
119.08559	18.0
121.10136	56.0
127.11153	5.8
127.97038	4.2
131.08524	8.2
133.10117	16.4
133.11055	4.3
135.11685	63.1
137.09607	10.4
137.13177	6.0
139.07529	7.8
145.10101	4.5
147.11708	5.5
149.09558	5.5
149.13293	22.0
151.11172	16.7
153.12708	6.1
159.11703	9.7
161.13226	16.8
163.11070	5.2
163.14795	5.1
165.12793	5.8
167.10585	4.7
167.14267	6.4
175.14838	5.6
177.12614	4.9
179.14278	100.0
224.11444	4.9
233.22641	28.1
243.20972	11.6
261.22058	11.9
277.21609	44.0
279.23160	10.7
296.25766	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	295.2266
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	17.7
55.01864	9.3
55.05507	41.3
57.03439	4.7
57.07072	15.5
65.03922	5.4
67.05496	92.8
67.05863	4.4
67.48862	2.5
68.05813	2.4
69.03415	4.2
69.07058	48.2
71.04995	5.8
71.08617	11.2
73.25168	2.4
79.05484	54.1
81.03410	83.6
81.07047	69.5
83.04983	18.6
83.08604	17.4
85.06558	4.8
85.10180	8.1
86.83726	2.1
91.05465	38.5
93.07039	61.4
93.07598	4.4
95.04961	52.7
95.05527	4.3
95.08601	31.9
97.06521	7.8
97.10153	13.6
98.22602	5.6
99.08089	7.8
105.04530	2.7
105.07016	27.9
107.04945	3.4
107.08579	33.5
109.06519	12.8
109.10150	32.3
111.08069	3.0
113.09625	6.5
117.07047	4.9
119.08548	18.3
121.06443	3.6
121.10138	19.2
123.08073	6.4
123.11713	9.7
125.09628	8.7
129.07022	3.7
131.08565	7.2
133.10109	24.4
135.08049	6.3
135.11711	10.1
137.09624	9.2
143.08557	4.5
145.10103	4.2
147.08017	4.5
147.11679	15.9
149.09694	2.7
149.13261	8.4
151.11168	53.2
153.09099	6.5
153.12759	3.3
157.10023	4.2
161.13246	17.1
163.14835	4.0
165.12720	18.1
171.11684	6.7
173.13264	3.5
175.14815	6.2
178.91177	2.4
179.14293	8.7
185.13202	3.9
189.11105	2.5
189.12717	3.0
189.21941	2.4
193.12219	3.6
207.13837	2.6
213.34819	2.2
221.15427	3.9
231.21051	10.2
241.19510	5.3
249.22179	7.7
259.20593	8.6
277.21616	100.0
278.21960	5.6
295.12851	6.4
295.16956	4.2
295.22778	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	295.2628
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
52.84263	0.4
53.03920	0.6
55.01871	0.5
55.05503	12.8
56.53424	0.4
57.03429	1.4
57.07067	4.3
59.04996	1.3
65.03973	0.4
65.82581	0.4
67.05498	7.6
69.03425	2.1
69.07059	100.0
70.07397	1.2
70.32281	0.7
71.04993	1.0
71.08627	0.9
73.06562	0.5
79.05482	2.4
81.07050	14.2
83.04968	0.7
83.08616	5.8
85.02895	1.1
85.06551	1.6
85.10168	1.0
87.04466	0.9
91.05470	0.8
93.07032	4.7
95.04971	0.7
95.08590	10.8
97.02885	1.4
97.06519	3.0
97.10144	2.7
99.08067	2.1
105.07021	1.2
107.08575	3.4
109.06514	1.6
109.10136	13.6
109.10880	0.8
111.08089	0.9
111.11703	29.9
112.12035	0.6
113.09631	0.6
115.03924	0.9
119.08568	1.7
121.10140	5.5
123.08055	1.0
123.11684	5.9
125.09599	0.6
127.11172	1.2
129.12724	2.6
133.04964	0.8
133.10092	1.3
135.11667	1.3
137.09584	0.6
137.13242	1.3
139.11156	24.3
140.11446	0.8
147.11684	1.5
149.13272	2.2
151.11200	0.6
157.12204	2.9
163.14793	1.2
165.12744	1.0
167.14360	0.6
175.14862	0.6
177.16357	0.8
178.07800	0.6
181.06444	0.4
191.08305	0.6
192.08907	1.0
193.15845	1.4
203.17984	0.6
207.07970	0.5
208.08727	0.7
209.09222	0.9
217.19710	0.4
219.07881	0.6
219.21101	0.5
220.08368	0.9
221.09122	1.5
221.18832	0.6
222.06654	0.5
222.09895	0.6
224.08197	1.1
224.11516	1.0
234.10066	0.5
235.07404	1.2
236.08286	1.3
237.08649	3.4
237.27509	0.4
239.10722	0.9
239.73781	0.4
249.08960	0.6
250.09328	0.4
251.10458	1.0
252.08385	0.8
252.10918	4.3
259.24008	0.8
263.06952	1.3
265.08282	0.6
267.10141	1.6
277.08627	0.7
277.25177	3.9
280.10440	8.1
295.09561	7.1
295.12836	15.5
295.26263	25.3
296.09995	0.5
296.13138	1.3
296.26691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0967
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	10.7
55.05515	12.5
56.96560	5.8
57.03435	14.4
59.05003	8.4
61.02933	10.6
65.03968	2.9
69.03423	31.0
69.36905	2.1
69.58935	5.4
69.59319	4.4
71.05003	3.2
73.02929	8.3
75.04485	3.5
79.05502	9.0
81.03419	14.9
83.04971	13.7
85.02893	25.9
87.04478	3.3
91.05455	11.2
93.07048	4.4
95.04990	7.8
95.06067	3.3
97.02898	11.9
98.97572	24.8
103.03974	7.4
103.05457	22.3
105.03395	5.5
105.07070	6.5
107.04945	34.8
107.05584	3.5
109.02908	2.8
110.07194	6.7
111.04429	16.5
115.03941	9.9
115.05431	11.0
115.09852	2.6
116.98616	15.9
117.07012	4.1
119.04922	14.1
119.07059	2.8
121.06533	10.9
123.04420	100.0
127.03904	11.3
129.05444	12.7
131.04912	39.0
131.08574	3.4
133.02904	5.8
133.06512	4.4
134.99675	8.7
135.04410	16.3
135.10184	4.4
136.07576	2.9
137.05974	35.1
137.06981	2.5
138.05931	2.6
141.05966	2.5
141.07048	6.3
143.04924	4.2
144.05693	3.3
145.06541	8.9
147.04407	25.8
149.05966	66.1
151.03934	3.5
151.07526	11.0
153.00771	2.3
153.05466	11.3
159.04468	6.5
159.08052	2.5
161.02368	3.2
161.05945	27.6
163.03882	11.2
163.07590	5.1
165.04068	3.7
165.05461	78.1
165.06749	5.3
167.07057	7.5
169.06499	6.0
173.05962	12.0
175.04063	3.2
175.07657	3.9
177.05487	26.2
179.03409	13.7
179.07076	6.6
185.06079	2.7
187.07603	10.5
189.05519	10.7
190.08504	3.2
191.06984	11.3
193.05013	7.2
194.05821	3.8
195.06552	10.9
197.06024	6.7
201.05498	5.3
203.07095	3.6
205.04822	2.9
207.06528	3.7
213.05553	2.6
215.07037	9.0
219.06580	10.1
223.07730	2.3
231.06613	10.9
233.08098	5.1
243.06502	4.7
256.96426	2.8
261.07620	10.0
266.99857	3.1
274.97516	24.4
279.08600	42.3
292.98456	15.4
297.09641	62.9
297.14844	3.2
299.06226	3.7
312.79971	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	297.1481
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
53.03928	0.7
55.01859	0.9
55.05501	6.8
56.96563	0.5
57.03426	4.1
57.07068	11.5
58.07404	2.2
61.88361	0.4
67.05492	7.6
68.05818	0.7
69.03419	0.9
69.07057	8.4
69.66216	0.6
69.66614	1.2
71.08609	1.8
73.02908	0.5
77.22572	0.4
79.05489	3.7
81.07045	7.7
83.04953	1.0
83.08614	5.4
85.10170	0.5
91.05470	1.6
93.07033	5.3
95.04943	0.5
95.08595	4.7
97.06517	3.7
97.10150	3.7
98.97585	3.0
101.05952	0.5
105.07001	1.2
107.08582	4.0
109.10114	3.6
111.08055	0.8
111.11709	0.9
115.07595	0.9
116.98625	2.5
119.08585	1.4
121.06491	0.7
121.10124	5.6
123.08057	0.8
123.11711	2.2
125.09650	0.6
127.11173	4.2
128.11487	1.6
129.05450	2.3
131.08525	0.5
134.99640	1.6
135.08022	2.5
135.11676	3.9
136.06174	0.8
137.09662	0.5
143.86685	0.5
145.10101	0.6
147.11668	0.7
149.09613	0.6
149.13248	0.8
153.12744	0.8
157.10178	0.5
163.07455	0.8
163.14845	0.6
167.08514	1.2
169.10135	0.9
169.12190	1.1
170.12552	0.6
171.08087	0.8
176.12042	0.5
177.09053	0.6
179.08504	1.3
181.06511	0.6
181.10101	1.8
183.08026	0.8
183.11668	0.5
185.09604	1.2
187.14745	0.5
191.08487	1.0
191.14256	4.9
193.10057	2.2
194.07230	0.5
194.10880	0.6
195.08015	1.3
195.11676	0.6
197.05997	0.7
197.09631	1.9
203.08553	0.5
204.09419	0.4
205.15804	0.7
205.19460	2.4
207.08047	1.4
208.08858	0.7
208.12482	1.2
209.09613	3.5
209.13278	1.0
211.07492	1.5
211.48058	0.4
213.09052	0.5
215.14351	0.8
218.10875	1.0
221.05917	1.3
221.09538	2.1
222.10338	2.2
223.07510	0.5
223.11134	1.2
223.14758	1.6
223.20485	0.8
225.09056	0.7
227.07024	1.2
233.13251	0.9
233.15323	6.4
235.07498	1.4
236.08203	0.9
236.11853	2.4
237.09045	3.9
237.12694	1.2
238.09798	1.3
239.07040	3.1
239.10631	1.0
241.08601	0.6
247.17049	0.6
249.08939	2.2
250.09810	1.3
251.10411	1.0
251.14265	18.6
252.14665	0.6
253.08549	2.0
254.09332	16.6
255.09927	1.9
261.12735	1.2
262.22375	0.5
264.11298	2.5
265.11618	0.6
265.17972	1.1
267.10080	4.3
268.10934	8.2
269.11270	0.5
274.97409	3.0
279.10724	0.9
279.13776	11.7
279.20047	0.5
279.23129	1.1
280.14041	0.8
280.23462	3.0
282.12448	9.6
283.12735	0.8
292.98477	1.7
297.14810	100.0
297.23990	9.7
298.15137	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	297.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42032	1.3
55.01861	2.3
55.05503	13.0
56.96564	3.2
57.03427	5.7
57.07071	4.4
59.04988	3.5
63.36497	1.4
67.05492	9.4
69.03410	6.4
69.07053	18.3
71.04964	2.2
71.08614	3.5
73.06546	2.7
75.04479	1.7
76.97330	1.2
79.05491	10.0
81.07047	15.4
83.04990	2.1
83.08605	9.0
85.06539	2.5
85.10237	1.3
91.05477	6.2
93.07027	13.8
95.04969	6.4
95.08582	13.1
97.06532	8.1
97.10197	1.9
97.39238	1.5
98.22636	4.3
98.97565	12.6
99.08085	2.3
103.05438	1.6
105.07014	6.7
107.04955	1.7
107.08567	14.9
109.06518	4.0
109.10136	7.8
111.08048	2.3
115.07558	12.4
116.98591	9.7
117.06992	2.2
119.08611	6.9
119.09322	1.2
119.41780	1.3
121.06485	12.3
121.10117	14.6
122.07245	3.1
123.08042	10.9
123.11687	8.1
125.05979	2.6
129.05438	6.6
131.08583	6.2
133.10135	6.4
134.99637	6.0
135.08028	30.0
135.11661	11.3
137.82027	1.6
143.08530	1.8
145.10124	5.9
147.08044	2.6
147.11700	4.3
149.09665	4.7
149.13243	4.6
151.11227	2.4
157.10077	1.6
159.07983	2.3
159.11725	2.7
163.07516	14.2
163.11182	2.9
163.14760	2.1
164.08276	1.8
169.72502	1.7
173.09573	2.0
173.13217	4.5
175.11183	3.0
176.11913	8.6
177.09117	6.9
178.73297	1.3
181.15860	1.9
187.14766	7.2
191.10603	4.3
191.14268	72.5
192.14606	3.5
195.10249	2.0
197.13258	1.8
205.15842	11.9
205.19492	4.4
215.14275	12.0
233.15315	100.0
234.15660	3.6
247.16861	7.0
256.96368	2.1
265.17969	17.8
274.97440	12.5
279.19647	9.4
279.22385	2.1
292.98438	7.2
297.20599	26.6
297.24213	12.2
298.21353	1.6
299.05829	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
52.28357	2.1
53.03922	2.6
55.01860	7.9
55.05505	80.7
56.96534	3.6
57.03429	53.1
57.07070	34.6
65.03910	2.5
67.05157	3.3
67.05495	56.9
69.03412	4.7
69.07058	96.2
70.07376	2.6
71.04977	3.6
71.08623	14.3
73.02895	6.2
75.04462	2.9
79.05489	44.3
81.07049	59.4
83.04964	4.9
83.08109	3.6
83.08604	64.4
85.06541	4.2
85.10149	7.0
91.05464	8.7
93.07029	48.5
95.04967	4.4
95.08595	39.7
97.06522	40.7
97.09591	2.8
97.10157	32.1
98.97572	12.4
105.07009	4.4
107.08579	42.3
109.10138	24.8
110.10443	2.2
111.08060	9.6
111.11689	8.7
115.07564	3.1
115.42048	2.7
116.98591	13.4
121.10123	55.6
123.08058	2.6
123.11684	22.5
125.09599	5.9
125.13246	2.4
127.11167	6.2
129.05457	31.0
134.99609	6.0
135.08047	5.2
135.11667	38.6
136.06108	2.4
137.13185	4.3
139.14645	2.0
145.10091	3.2
149.13246	12.7
153.12784	2.4
163.07504	6.5
163.14728	3.8
177.09077	4.0
185.61177	2.1
191.14212	7.8
204.05606	2.3
205.15894	4.7
205.19453	29.2
210.38210	2.1
223.20569	11.4
233.15337	24.0
251.14297	4.2
254.09369	5.5
265.17993	3.2
274.97427	18.5
279.13904	3.4
280.23471	4.5
292.98468	9.2
297.11267	5.3
297.14771	22.4
297.18237	4.2
297.24161	100.0
298.24548	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	297.242
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
50.36826	2.7
53.03929	3.7
55.05507	19.5
56.96542	7.9
57.03423	3.9
57.07068	31.6
65.63421	2.6
67.05494	46.6
69.07047	19.7
69.72105	6.5
78.32182	3.1
79.05492	21.0
81.07046	42.8
83.04974	6.5
83.08600	21.6
85.02882	3.4
85.06525	5.0
85.10171	89.0
91.05466	32.5
93.07027	27.4
95.04975	15.6
95.08595	39.9
97.06520	11.3
97.10159	5.5
98.97572	41.4
105.07040	26.0
107.08575	21.8
109.06488	7.2
109.10139	11.6
111.08049	8.2
113.09632	100.0
116.98611	35.8
117.07030	6.2
119.08572	7.3
121.06470	6.0
121.10122	12.7
123.08044	8.0
123.11697	10.3
131.08559	9.6
133.10103	53.5
134.99622	19.7
135.08047	13.3
135.11624	7.1
136.06177	6.0
137.13280	3.1
141.12723	4.0
145.10078	10.3
147.11678	9.2
149.09608	10.1
149.13229	36.8
151.11166	11.7
153.12688	4.6
159.11685	6.8
161.13193	7.8
163.07486	8.0
165.12686	4.2
167.14311	17.2
181.15686	3.3
187.14798	12.0
191.14302	35.8
205.15839	9.1
215.14351	6.3
232.96375	4.3
233.15331	30.4
243.21027	11.1
243.76788	3.9
250.97421	3.6
256.96616	4.9
261.22021	17.4
265.18015	5.7
274.97446	46.2
279.23157	57.2
292.98431	32.0
297.11090	12.0
297.20593	13.0
297.24023	4.6
297.99136	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	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	13.2
57.73372	0.5
60.98685	0.5
69.46358	2.7
69.46635	0.8
85.02933	0.6
93.82990	0.6
98.97571	100.0
99.50290	0.5
107.15686	0.6
113.15558	0.5
116.98608	48.4
117.35756	0.5
119.07065	0.6
123.79054	0.6
130.93286	2.3
134.99641	13.5
153.00710	1.3
153.41582	0.5
172.94359	4.2
182.00795	0.5
190.95390	4.3
208.96419	1.5
214.95422	2.6
232.96463	7.3
250.97514	2.9
256.96359	11.2
259.85062	0.6
273.57779	0.6
274.97461	75.8
275.97888	1.4
286.20233	0.6
292.98517	47.0
293.98730	0.8
298.09241	0.9
310.99472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87867	0.9
54.97633	1.3
56.83735	0.9
56.96556	11.0
57.05170	0.9
71.95242	1.4
91.96778	1.2
98.97567	100.0
102.79156	1.2
116.98600	46.2
130.93309	1.5
134.99626	10.6
138.70293	1.1
170.67577	1.2
170.80806	1.1
172.94347	4.1
177.00897	1.8
190.95413	3.5
199.80295	1.1
214.95424	2.8
232.96313	5.3
246.89525	1.4
250.97470	1.9
252.96367	2.7
256.96335	10.1
261.03043	5.6
274.97440	63.4
292.98508	36.9
293.98953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	Oripavine
Peak:m/z	Relative Intensity
56.96546	3.0
58.06586	2.0
69.03397	0.8
71.45698	0.9
77.52753	0.7
86.09681	1.0
95.04910	0.7
98.97571	10.4
101.02335	1.3
110.07143	1.5
114.91257	0.7
116.84705	0.7
116.98598	10.9
124.07591	1.0
132.08084	1.6
134.99634	5.8
136.06139	3.1
137.02318	2.8
152.06168	2.3
153.00726	1.1
153.06892	1.0
156.77989	0.8
160.07542	4.6
162.05495	1.1
163.07481	0.8
165.06964	3.1
166.07661	1.7
167.08528	10.1
175.06216	2.3
176.07060	1.0
177.06898	6.4
179.08560	0.9
181.06419	2.8
181.10072	0.9
190.08629	4.0
191.08553	2.7
192.10133	4.2
194.07304	3.5
195.08020	26.0
197.06076	1.1
204.10155	10.1
205.06371	1.6
205.95056	0.8
207.08008	3.9
208.05139	1.0
209.09552	5.6
219.08052	2.8
222.06750	1.9
223.07503	38.0
224.08002	2.5
225.05353	1.8
227.07016	1.9
227.10612	0.9
232.96239	1.4
234.07294	0.8
235.07463	7.9
237.09045	8.6
239.06923	1.2
239.10780	2.8
240.07687	2.5
248.12755	2.2
250.97557	0.8
252.07944	1.0
254.09283	2.3
255.10129	40.2
256.10663	1.4
256.96442	1.9
266.13806	1.3
267.10126	4.8
269.11655	8.4
270.11319	1.0
274.97400	13.5
292.98474	10.2
296.29657	0.8
298.14319	100.0
299.06137	0.9
299.14618	5.2
300.06073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2576
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
55.05503	10.4
55.22247	0.6
57.03143	0.7
57.03429	26.7
57.07066	72.6
58.07365	0.8
58.64919	0.6
67.05153	1.1
67.05495	17.7
68.04317	0.7
69.03378	1.3
69.07055	18.2
69.62730	2.8
71.04982	1.4
71.08620	52.1
72.04507	1.5
72.08926	1.7
75.04475	0.8
79.05482	2.7
81.07043	21.1
83.04993	0.8
83.08608	12.1
83.39130	0.7
84.08974	0.7
85.06503	0.9
85.10165	25.8
87.04511	0.8
89.06017	4.9
91.05470	1.5
93.07039	1.6
95.08591	30.6
97.06473	0.9
97.10159	5.8
99.11718	1.6
101.05977	0.7
103.07558	3.5
105.07001	1.1
107.08522	0.9
109.10135	15.8
111.08073	1.1
111.11705	3.8
117.09132	1.7
119.08540	0.8
121.10067	1.0
123.11698	6.5
125.09537	0.8
125.13228	1.7
131.10649	0.8
137.13222	2.5
145.10059	0.7
151.14777	1.2
193.05365	0.6
204.08272	0.7
207.21106	0.9
225.22069	6.9
243.23148	8.4
261.24115	0.8
299.25751	100.0
300.26141	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	300.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72376	0.4
52.35219	0.5
53.03935	1.1
53.53964	0.4
55.01855	0.6
56.96552	1.9
57.03426	1.1
58.06585	1.5
59.04991	3.5
61.02917	2.3
66.29897	0.5
69.03419	5.6
69.71339	0.9
69.71715	1.0
70.06594	0.7
71.04971	0.9
73.02901	1.2
81.03400	1.5
84.08131	0.6
85.02394	0.9
85.02892	14.6
86.03268	0.5
86.09687	0.5
87.04460	1.2
89.06052	1.0
90.05524	0.7
91.03957	0.6
91.05457	2.3
93.07036	5.1
95.04949	1.3
97.02872	4.5
98.22713	0.7
98.97572	5.3
99.04420	0.6
100.97176	0.4
100.98019	0.4
103.05465	2.9
103.07590	0.7
109.02864	1.5
112.11221	1.2
115.03880	0.5
116.98592	3.6
120.08093	5.3
121.06488	100.0
121.08510	5.1
122.06810	1.9
122.07655	0.6
127.03886	2.7
129.13881	0.7
130.93306	0.5
134.99634	1.5
135.22514	0.5
137.05959	0.8
138.09119	55.6
139.09457	1.6
145.04935	2.4
150.09114	0.5
169.56891	0.5
172.94350	0.5
180.10172	0.7
192.24670	0.5
229.11017	0.6
232.96507	1.0
258.99734	0.9
264.12357	0.8
276.97546	1.7
277.00925	1.1
282.13266	4.4
294.98694	0.7
300.15491	3.5
301.12628	0.6
301.18689	0.7
301.22531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1591
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
51.16957	0.4
55.01854	0.5
58.06590	0.6
61.68967	0.3
63.27164	0.4
63.37193	0.3
66.14486	0.4
69.35221	0.7
69.35562	1.7
76.45924	0.3
77.03906	0.7
79.05472	0.9
91.05449	1.9
93.07005	0.8
94.04160	0.4
95.04937	1.6
103.05434	1.4
105.07042	0.5
107.04938	93.6
108.05270	1.4
115.05431	4.3
117.06986	1.1
119.04917	1.4
120.09003	0.4
121.06497	4.6
124.88262	0.4
131.04906	2.7
133.06458	1.2
137.05957	8.2
143.04898	9.6
144.05750	0.7
145.06467	6.6
147.08005	1.0
149.05948	0.9
151.07532	1.9
155.05946	0.7
157.06410	0.4
160.05197	3.4
161.05855	0.5
162.06729	0.6
163.07480	1.9
165.06941	0.9
166.07750	0.9
174.09132	0.5
175.07524	13.8
178.08600	0.9
179.08469	0.9
180.10199	0.9
181.06467	1.3
181.10095	0.9
182.07207	1.1
183.08051	0.7
191.08505	2.9
192.10172	1.9
194.07248	2.8
195.07898	0.4
197.05898	0.9
197.09589	5.0
207.08020	0.8
209.06087	0.3
209.09569	8.4
211.07437	0.6
211.10976	0.5
212.08255	0.6
219.07990	1.9
225.09045	2.7
228.52325	0.4
237.09056	9.9
238.09558	1.1
239.07079	0.8
239.10599	0.6
240.07863	0.5
254.09383	2.1
257.11703	2.6
259.10733	0.8
268.13437	0.6
269.11688	23.5
270.12082	0.8
271.13278	1.3
272.28720	0.4
285.09940	1.0
290.62891	0.4
300.15894	100.0
301.12030	0.7
301.16229	4.3
319.37656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1591
Annotation	Heterocodeine
Peak:m/z	Relative Intensity
54.55874	0.6
54.76041	0.6
56.96555	0.7
58.06592	100.0
69.55633	0.7
70.06577	5.2
71.45314	0.7
84.08128	0.7
85.02896	1.3
86.09700	1.7
91.05481	1.8
93.07033	1.0
94.06570	1.2
94.20091	0.6
95.04963	1.2
97.02892	0.8
98.97575	1.1
100.18882	0.6
105.07067	0.8
107.04937	29.4
112.07629	1.9
115.05458	1.5
116.07078	0.8
116.98627	0.9
117.07077	0.7
121.02886	2.1
121.06486	4.9
123.04443	3.0
131.05002	0.7
134.99728	0.9
137.05916	3.8
138.05507	2.1
140.07066	1.4
143.04907	3.9
145.06509	3.0
147.08052	1.4
151.07521	0.7
152.07118	0.9
161.05971	8.6
163.06253	1.1
163.07561	1.2
178.08752	0.8
209.09654	1.3
226.06320	0.6
237.09245	1.4
255.10074	6.1
257.11755	4.2
268.04489	0.9
276.97507	0.8
284.09125	16.5
285.09885	9.8
292.51367	0.7
300.12405	37.0
300.16049	99.2
301.12686	12.0
301.16409	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	301.1179
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03902	0.3
55.01792	0.2
58.49676	0.3
59.02711	0.3
65.03928	1.4
67.05436	1.2
67.57974	0.2
69.76999	0.9
78.72495	0.3
79.05444	0.5
80.04952	0.3
81.06983	0.4
82.02898	0.5
85.01768	0.3
91.05437	0.5
92.04988	2.6
93.06943	0.5
94.06490	0.8
95.04882	0.8
95.08565	0.3
103.05438	0.3
105.03270	0.3
105.07017	0.6
106.06477	0.5
107.08497	0.5
108.08039	0.5
118.06447	0.4
119.08545	0.4
120.04452	2.3
120.37887	0.2
122.06051	1.7
129.06932	0.7
130.06461	0.6
133.10043	0.3
136.07561	2.0
141.06921	0.5
142.07738	0.4
143.07292	0.5
143.08423	0.6
144.08017	0.8
146.05952	0.5
148.03854	0.4
152.06120	0.6
153.06946	0.7
154.06441	0.6
154.07642	0.6
155.07198	0.6
155.08383	0.4
156.08008	0.6
157.08836	0.4
158.09586	0.4
159.09160	0.6
160.07516	0.5
161.07076	0.5
162.05508	1.3
165.06906	0.9
167.07236	2.4
167.08508	0.6
168.08014	1.1
169.07669	0.5
169.08786	1.5
169.10056	0.5
170.08308	1.4
170.09563	0.8
171.09103	0.6
172.07484	0.8
172.11095	0.6
173.07024	1.1
173.08339	0.6
180.08031	0.4
181.08818	0.4
182.06001	0.4
182.09599	2.9
183.09120	2.4
184.07510	1.1
184.09821	2.9
184.11348	1.6
185.06999	0.4
185.10687	1.1
186.03879	0.3
186.09145	0.7
187.08626	2.1
192.08031	0.6
194.09709	0.6
195.06631	0.3
196.07480	0.8
197.06914	2.8
197.08379	0.8
198.07700	2.7
198.09178	0.7
198.11473	0.3
199.08533	1.2
199.12273	7.4
200.10669	0.8
209.10672	0.9
210.09111	7.1
211.08577	6.3
212.09221	10.7
213.10123	4.0
214.10698	0.6
217.04822	0.6
222.07800	0.4
223.08566	0.4
225.06561	2.4
225.10156	1.2
226.07198	2.2
226.10942	1.0
227.08070	1.1
227.11745	28.6
228.10188	0.4
228.12114	1.2
237.10170	2.5
238.08601	1.7
239.08083	2.7
240.08879	13.2
241.09669	13.6
242.10085	0.8
245.04414	0.4
253.09810	0.7
254.10387	1.1
255.11238	100.0
256.09149	0.4
256.11609	4.2
257.12830	3.0
273.12268	0.6
283.10739	21.0
283.20590	0.5
284.11047	0.7
301.03378	1.1
301.11777	16.0
301.21628	1.1
302.12183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52397	1.1
53.03938	2.3
55.01865	4.6
57.03427	6.4
60.43121	1.0
61.02925	13.2
67.05493	7.6
69.03419	23.9
69.03796	1.5
69.07054	3.4
69.19147	6.1
70.06588	2.4
71.01347	2.1
71.04973	1.8
73.02895	6.7
79.05513	1.4
81.03394	11.8
84.08102	1.6
85.02890	100.0
86.09731	1.4
87.04462	2.4
91.03954	4.6
91.05445	10.4
91.66158	1.3
93.07011	6.2
94.50839	1.2
95.04946	19.1
97.02874	32.8
97.03477	1.9
98.22672	2.6
99.04461	4.5
103.03938	5.2
103.05456	5.9
105.07010	1.7
105.97061	1.2
107.04951	2.1
109.02847	11.2
112.07582	12.1
115.05452	3.4
117.06982	6.6
121.06487	83.0
127.03900	18.4
128.06195	3.7
129.07011	5.4
131.04897	1.5
131.08571	6.9
133.06488	3.3
135.08087	2.1
135.24525	1.4
137.02321	5.0
140.07045	29.1
141.06947	9.9
144.05704	3.9
145.04959	23.4
145.06480	11.6
150.95889	1.1
151.07481	5.9
153.06944	2.1
154.08606	2.2
154.89349	1.2
155.08565	4.7
157.06479	11.9
158.07245	3.1
159.08037	21.7
161.05943	2.2
163.06038	2.7
163.07547	5.1
166.04971	8.6
168.05702	1.6
169.03775	2.4
169.06458	5.5
171.08032	4.8
175.07524	17.7
177.05490	1.3
179.07043	4.5
182.08109	19.3
183.08057	4.2
185.05968	5.2
187.07509	48.0
188.07834	1.9
189.09077	2.5
199.07520	1.9
201.09174	3.7
203.07008	2.9
205.08582	17.9
206.08168	4.6
211.07576	1.6
217.08562	8.1
229.08623	9.3
235.09554	4.9
247.09599	8.7
248.09151	2.3
265.10840	1.6
301.03442	3.0
301.12695	5.6
301.15793	2.0
301.21774	1.5
302.06506	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	301.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01868	24.5
55.05504	27.9
57.03173	4.2
57.03430	52.2
58.06587	7.4
62.66792	2.3
65.03923	5.6
67.05495	98.9
68.99776	3.9
69.03404	3.4
69.07062	18.7
69.54289	6.4
69.54681	4.7
70.06586	22.0
71.04992	11.4
72.08147	4.0
79.05481	100.0
79.05940	5.7
81.03406	26.1
81.07047	70.4
83.04967	42.4
83.08598	7.9
83.33870	2.2
85.02896	7.1
85.06528	10.8
86.09698	6.2
91.05465	46.5
93.07034	90.3
95.04956	34.2
95.08587	36.3
97.02882	2.4
97.06514	28.1
97.10174	3.7
99.04430	8.2
105.04500	2.8
105.07021	24.0
107.04246	4.8
107.04945	75.6
107.08578	44.6
109.02864	3.1
109.06488	9.4
109.10128	10.4
110.06010	4.3
111.04425	59.1
111.08076	12.9
112.07581	18.5
112.11190	4.7
113.05996	2.7
115.05453	4.1
116.05312	2.7
117.07006	34.6
119.08572	32.8
121.06485	10.4
121.10122	83.5
123.03140	6.2
123.04430	4.5
123.08064	4.3
125.05981	8.9
127.03922	2.3
128.06277	2.8
129.06993	10.4
130.07776	3.3
131.04942	7.4
131.08534	23.7
132.05653	2.6
133.10098	6.1
135.08055	3.0
135.11674	59.0
137.02324	37.8
137.09589	3.0
139.07538	4.5
139.11137	3.1
140.07027	4.4
143.08549	3.4
143.11798	3.8
145.06480	15.4
145.10100	76.5
147.07953	7.4
149.09576	17.4
150.05594	2.4
151.02635	6.6
153.06979	5.3
153.12714	20.5
155.08577	20.0
158.08162	3.2
163.09770	4.8
163.11160	92.0
164.11490	3.6
166.04979	72.1
169.03661	17.5
173.09578	45.8
181.06473	6.8
181.12207	45.9
191.10635	53.6
192.02924	9.2
201.10551	2.6
203.11787	3.0
209.11688	20.5
211.07474	3.7
214.08609	3.7
217.04930	8.3
227.12782	24.4
241.08279	5.0
242.05635	4.4
245.04453	6.4
246.16034	2.7
255.11142	4.0
256.10403	11.3
257.07977	14.2
259.10739	28.2
260.11185	2.5
265.14316	5.7
269.03088	5.4
269.07791	2.7
273.03894	10.1
273.12387	2.8
283.15277	11.7
287.04172	7.4
301.03418	12.6
301.11530	19.4
301.16391	84.6
301.20035	4.0
301.21735	6.8
302.06552	71.3
302.16806	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	302.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
53.90292	0.2
65.03935	1.3
67.04220	0.5
67.05481	0.5
68.99762	0.6
70.06578	3.8
79.05459	0.4
80.05006	0.4
81.03405	4.9
81.07035	0.6
82.02920	1.6
82.06552	0.8
91.05458	0.3
92.04977	1.5
93.03381	0.8
93.07038	0.5
95.03690	2.8
95.04945	0.4
96.02102	1.1
98.23526	0.3
105.07009	0.4
107.08561	0.3
108.04461	0.3
109.02859	1.9
110.02400	1.4
110.06023	3.6
111.00801	0.3
111.04417	1.5
112.07595	2.5
119.08504	0.4
120.04453	0.8
121.01577	0.4
121.02798	0.5
123.03156	7.9
127.03905	2.5
133.10088	0.3
136.03889	0.3
137.02315	38.5
138.02647	0.5
138.05490	0.8
140.07034	0.7
145.10123	0.3
151.02612	8.8
153.01788	2.1
155.04837	0.3
158.08157	0.4
165.01758	0.7
166.04967	70.6
167.05312	1.6
169.03673	19.7
173.06036	0.3
177.00545	1.7
192.02873	8.8
195.01584	3.0
195.03175	0.3
201.05424	0.7
213.04117	1.1
215.05634	0.3
218.05254	0.5
218.24162	0.3
229.04947	2.0
231.05182	0.5
237.02502	0.2
241.03568	1.2
243.05209	0.4
245.04723	0.3
246.04681	0.9
255.10513	0.3
256.10730	1.4
257.04413	0.9
257.08054	0.9
269.03189	2.7
270.03751	0.6
274.04236	1.3
284.05496	0.6
285.03986	0.4
287.04196	4.7
301.21304	0.2
302.06540	100.0
303.04648	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	302.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.1
55.05497	0.1
59.60497	0.1
65.03912	0.1
67.04230	0.2
68.99776	0.1
69.44485	0.3
70.06567	0.1
78.03444	0.2
81.02956	0.1
81.03410	1.2
82.06554	0.1
83.04951	0.2
83.20820	0.1
87.91319	0.1
95.03695	0.3
96.02096	0.6
96.04440	0.1
106.02891	0.3
107.01364	0.1
109.02854	0.6
110.06031	0.6
111.04427	4.3
121.01589	0.2
123.03146	0.5
127.03870	0.4
136.03928	2.1
137.02318	10.4
138.05479	16.0
139.05786	0.3
140.04948	0.1
151.02641	0.1
165.04060	0.1
166.04970	85.1
167.05330	1.9
177.00526	0.1
185.04697	0.2
186.05482	0.1
188.03441	0.2
192.02884	6.4
192.06552	0.2
193.03116	0.2
200.06995	0.1
203.05699	0.2
213.04160	0.7
214.04825	0.2
218.08153	0.3
220.06102	0.1
228.06621	0.4
231.05177	0.8
234.03819	0.4
236.05540	0.1
237.02461	0.1
241.01353	0.1
241.03627	1.6
242.04317	0.2
243.05124	0.1
246.07620	1.0
252.05000	1.1
256.06003	2.0
258.07550	0.4
259.04584	0.2
260.05463	0.1
269.03302	0.7
270.04041	0.1
271.04440	0.1
274.06946	0.4
284.05463	2.5
285.05817	0.2
287.04156	1.1
302.06531	100.0
303.06876	4.3
303.10425	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	302.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.5
54.75492	0.5
58.53482	0.4
65.03921	1.4
67.04211	0.6
68.99772	1.6
69.07018	0.5
69.86900	0.5
70.06579	5.7
71.06338	0.9
79.05479	1.0
80.05001	0.5
81.03403	6.3
82.02908	2.0
82.06557	0.9
82.94105	0.4
85.62462	0.4
90.47996	0.5
91.05420	0.6
92.04973	1.9
93.03360	1.5
93.07012	0.9
95.03692	3.3
95.04963	0.6
95.08591	1.1
96.02102	0.8
105.07015	1.0
106.07357	0.5
107.08559	0.9
108.04492	0.7
109.02861	3.8
110.02377	1.8
110.06028	5.3
111.00774	0.5
111.04445	1.3
112.07581	3.9
119.08595	0.9
120.04424	1.4
121.01569	0.9
121.02835	0.6
121.10182	0.6
123.03160	9.1
127.03870	3.5
133.10048	0.7
133.37865	0.5
136.03937	0.8
137.02321	55.9
138.02605	0.6
138.05476	1.0
140.07014	1.7
151.02626	10.9
153.01823	2.2
153.23029	0.5
158.08081	0.5
165.01842	1.1
166.04976	100.0
167.05324	2.5
169.03685	27.4
170.04005	0.5
177.00568	1.9
192.02872	11.6
195.01585	4.7
201.05495	0.9
206.53043	0.5
213.04114	1.1
214.04900	0.7
218.05255	1.0
229.04877	1.8
237.02614	0.5
241.03682	2.1
243.05302	0.9
246.04893	1.1
249.05733	0.5
256.11017	2.2
257.04459	1.3
257.08044	1.5
269.03253	4.3
270.03836	1.1
274.04343	1.6
284.05383	0.8
287.04202	7.1
301.21432	0.7
302.03983	3.2
302.06564	78.0
303.04742	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	302.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.05492	0.8
57.03419	1.0
65.03918	1.0
65.25372	0.3
67.04241	0.5
67.05492	2.0
69.03419	0.9
69.07047	0.8
69.10637	2.1
70.06227	0.5
70.06581	5.7
71.04981	1.0
72.08147	1.6
79.05471	1.6
80.04996	0.5
81.03403	4.9
81.07047	2.6
82.02918	1.7
82.06579	0.7
85.02911	1.6
85.06513	0.5
86.09692	0.5
91.05463	1.2
92.05016	1.5
93.03391	0.8
93.07037	1.7
95.03680	2.9
95.04974	0.6
95.08604	1.8
96.02091	1.1
96.04488	0.3
96.08092	0.4
97.02888	1.0
97.06530	0.9
99.08095	0.6
105.07049	1.4
107.04980	0.5
107.08594	1.4
108.04477	0.3
108.08074	0.5
109.02861	2.4
109.05244	0.5
109.06509	0.9
109.10117	0.8
110.02387	1.5
110.06026	4.6
110.09669	0.4
111.04426	1.4
112.07603	3.0
117.07051	0.4
119.08551	1.0
120.04379	0.4
121.06483	0.4
121.10136	1.1
123.02382	0.2
123.03146	6.8
123.08083	0.4
124.11195	0.8
127.03905	2.1
127.07520	0.6
129.07043	0.3
131.08530	0.8
133.10199	0.6
135.11659	0.7
136.03889	0.8
136.07539	0.5
137.02319	44.3
138.02686	0.8
138.05469	0.6
140.07056	2.0
143.11794	1.4
145.04979	0.3
145.10132	0.7
147.42722	0.3
151.02623	9.5
151.03798	0.7
152.07062	0.4
153.09119	0.5
158.08125	0.7
158.11743	1.2
159.11676	0.4
161.13237	0.4
164.06984	0.4
166.04973	91.3
167.05328	2.2
169.03677	21.8
171.11465	0.4
177.00504	1.7
182.08072	1.9
192.02884	11.6
193.03139	0.3
195.01608	3.7
206.08150	0.8
213.04211	0.9
219.01624	0.4
231.05313	0.6
237.02690	0.5
241.03700	1.3
242.04445	0.3
243.05193	1.0
248.20187	0.5
266.21106	1.4
269.03140	3.5
284.05530	0.7
284.22162	4.4
287.04239	7.8
302.06543	100.0
302.23215	8.8
303.07187	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	302.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
54.03477	0.3
57.03429	0.3
58.05450	0.2
65.03938	1.3
67.04233	0.5
67.05477	0.3
68.99782	0.4
69.07056	0.3
69.78394	0.5
69.78747	0.4
70.06581	2.3
72.08165	0.3
74.61719	0.2
79.05488	0.4
80.05024	0.3
81.03407	5.3
81.07040	0.4
82.02929	1.4
82.06563	0.8
84.08156	0.2
91.05459	0.3
92.04989	1.3
93.03399	1.1
93.07051	0.4
95.03696	2.9
95.08598	0.5
96.02112	0.6
98.23389	0.3
105.06992	0.3
108.04453	0.3
109.02864	1.9
109.05279	0.2
110.02389	1.4
110.05328	0.4
110.06030	4.8
111.04443	1.1
112.07594	1.3
120.04472	1.3
121.01603	0.4
123.03159	8.1
127.03913	2.4
127.07488	0.2
136.03928	0.3
137.02322	47.2
138.02664	0.7
138.05418	0.5
140.07089	0.3
143.11732	0.2
147.11705	0.2
148.03909	0.2
151.02629	11.7
160.64461	0.2
166.04977	100.0
167.05330	2.6
169.03685	24.2
170.03993	0.5
177.00555	1.9
192.02888	12.5
193.03227	0.3
195.01598	3.3
213.04204	1.4
214.04886	0.3
215.05699	0.3
219.01576	0.2
231.05193	0.5
237.02530	0.3
241.03644	1.7
242.04315	0.4
243.05171	1.1
266.21268	0.3
269.03152	4.6
284.05405	0.6
284.22128	0.6
287.04196	7.9
288.04596	0.3
295.99017	0.3
302.06549	81.8
302.23083	1.3
303.07010	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	302.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
54.03468	0.3
63.01803	0.3
65.03934	1.0
67.01844	0.3
67.04243	0.3
67.05505	1.8
68.99773	0.8
69.03409	0.8
69.07048	0.7
69.25951	0.5
69.26369	1.1
70.06581	9.5
72.91876	0.3
81.03409	4.7
81.07033	0.3
82.02922	1.0
82.06580	0.4
85.02907	1.9
89.08324	0.3
89.08858	0.2
89.24352	0.3
92.04997	1.5
93.03393	1.0
95.03687	1.8
95.04955	2.5
96.02083	0.4
96.87484	0.3
97.02874	2.0
98.23531	0.5
109.02866	2.5
110.02381	1.2
110.06026	4.6
111.00785	0.5
111.04408	1.1
112.07585	8.8
113.06048	0.3
113.07876	0.3
113.55553	0.3
120.04449	1.2
121.01550	0.4
121.02868	0.6
123.03151	7.0
127.03897	2.5
136.03896	0.6
137.02318	43.5
138.02635	0.6
138.05476	0.4
140.07042	6.8
141.62921	0.3
151.02617	9.6
153.01770	1.5
153.82785	0.3
155.04893	0.5
155.08574	0.3
158.08086	0.7
163.04004	0.4
165.01823	1.2
166.04971	100.0
167.05339	2.1
169.03677	19.6
177.00488	1.6
178.08685	0.3
182.08127	2.8
183.03059	0.4
187.03880	0.4
192.02893	12.8
193.03191	0.4
195.01569	2.9
201.05418	0.6
206.08052	0.8
212.09132	0.3
213.04094	0.7
226.42928	0.3
229.04953	1.7
241.03671	1.3
242.05782	1.5
243.05258	1.1
246.04698	0.7
247.05998	0.4
248.09126	0.5
257.04358	0.8
257.08054	4.9
269.03128	3.8
274.04446	0.7
284.05518	0.6
287.04184	9.0
302.06543	98.8
303.04755	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01896	0.1
53.03935	0.2
55.01862	0.2
58.06590	0.2
63.72282	0.1
65.03928	0.3
67.04235	0.3
68.99785	0.3
69.03411	0.2
70.06577	2.2
78.03442	0.3
81.03405	2.1
82.06548	0.2
83.04972	0.2
86.09706	0.2
92.05020	0.2
95.03687	0.4
96.02070	0.6
100.14687	0.1
106.02898	0.5
109.02843	1.1
110.06037	1.0
111.04425	5.9
112.07581	1.4
121.01601	0.1
121.02846	0.2
123.03138	1.0
127.03893	0.7
136.02946	0.2
136.03925	2.8
137.02321	18.0
138.05476	25.1
139.05815	0.4
140.07027	0.3
143.11786	0.2
145.29544	0.1
151.02621	0.5
152.03481	0.1
153.01811	0.5
158.08087	0.2
165.01843	0.3
166.04970	100.0
167.05328	2.2
169.03647	1.0
177.00569	0.3
183.02869	0.2
185.04668	0.4
192.02887	9.1
192.06531	0.3
193.03246	0.3
195.01567	0.3
200.07071	0.3
201.05528	0.2
203.05708	0.6
204.06625	0.2
213.04166	1.2
214.04742	0.2
218.08112	0.4
220.06027	0.3
224.03363	0.2
228.04352	0.2
228.06396	0.7
229.04939	0.5
231.05193	1.0
234.03874	0.6
236.05573	0.2
241.03662	2.6
242.05986	0.1
243.05257	0.3
245.02895	0.2
246.07588	1.6
252.02802	0.2
252.05043	1.0
256.06012	2.5
257.04373	0.3
257.08047	0.6
258.07547	0.2
259.04736	0.3
269.03214	1.1
274.07053	0.5
284.05496	3.5
287.04211	1.9
302.06534	66.5
303.04385	4.8
303.07413	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
57.03433	2.8
58.06586	4.1
61.02919	3.8
65.03926	2.0
67.05493	32.4
69.03416	14.6
69.07059	7.7
69.59567	4.1
70.06583	21.2
71.04984	2.2
73.02909	2.1
79.05467	2.8
81.03403	7.0
81.07037	3.3
82.06544	1.5
84.08120	2.1
85.02890	51.3
86.09710	3.6
91.05463	1.4
94.06577	1.8
95.04951	47.7
97.02877	38.9
97.03481	2.4
97.19191	1.1
98.23486	1.3
99.04434	2.7
99.58980	1.1
103.03925	4.6
103.05580	1.4
107.04929	1.7
108.08125	1.4
109.02855	8.6
110.06030	3.3
112.07590	48.1
113.05994	3.5
114.92313	1.2
122.06020	3.8
123.03168	4.3
123.04443	1.8
127.03888	9.7
136.07558	4.1
137.02295	20.0
137.05972	2.7
138.05515	1.3
140.07037	100.0
141.07399	2.1
143.76945	1.2
145.04965	3.6
146.95171	1.2
150.09108	2.1
151.02663	3.6
152.07103	3.1
154.08598	7.3
158.08080	1.2
164.07091	7.8
165.97908	1.1
166.04968	41.9
169.03661	8.9
178.08603	5.3
182.08096	73.6
183.08391	1.9
192.02866	4.2
194.08344	1.3
198.04985	1.1
206.08102	18.0
218.08101	2.0
233.54605	1.2
236.09059	1.9
241.03540	1.8
248.09114	7.4
257.08142	2.0
273.03928	1.1
274.82883	1.4
287.04236	3.7
302.03854	2.0
302.06619	35.3
302.10144	2.1
302.14267	2.7
302.17444	2.3
303.04544	6.1
303.13647	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.03438	3.7
58.06600	5.0
61.02923	3.7
63.57106	1.3
65.03941	2.2
67.05496	43.7
69.03425	19.5
69.07070	10.2
70.06603	6.8
73.02876	1.3
73.96278	1.3
81.03413	7.3
84.08154	1.8
85.02897	45.0
86.82978	1.5
94.06564	2.6
95.04958	56.2
97.02884	41.6
99.04463	1.7
103.03948	4.7
106.47228	1.3
107.04973	1.9
109.02863	9.5
109.43417	1.5
112.07590	47.2
113.06007	5.2
114.17239	1.4
122.06000	2.3
124.07577	2.2
127.03906	8.2
136.07587	5.2
137.02299	9.6
140.07048	100.0
145.04944	3.8
151.02657	2.0
154.08604	8.4
166.04964	17.0
169.03705	6.3
178.08615	3.9
182.08110	66.1
191.30174	1.6
206.08112	13.1
218.08165	2.8
236.09247	3.1
248.09149	11.3
284.43378	1.4
285.12546	1.8
287.04263	1.6
302.06616	16.9
302.13486	2.1
302.19604	2.1
303.13858	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42991	0.1
53.03930	0.2
55.01852	0.5
65.03932	0.7
67.01848	0.5
67.05487	0.5
68.99780	3.3
69.03416	0.3
69.18313	0.8
70.06582	0.5
71.04965	0.1
71.06915	0.1
79.05480	0.2
80.81209	0.1
81.03409	1.1
81.07034	0.4
91.05475	0.3
93.03400	1.1
93.06986	0.1
95.04947	1.3
95.08593	0.2
98.23515	0.3
103.05405	0.2
105.03394	0.3
105.07008	0.4
107.01338	0.2
107.04938	0.3
107.08557	0.3
109.02874	1.7
111.00790	2.4
111.04461	0.2
112.07547	0.3
115.05447	0.2
117.07000	0.4
119.04972	0.1
119.08585	0.2
120.02091	0.2
120.30402	0.1
121.02848	2.9
121.10108	0.1
123.04394	0.7
127.03884	0.8
128.06194	0.2
129.06999	0.2
131.04900	0.5
133.02840	0.3
133.06476	0.3
133.10191	0.1
135.04395	0.5
136.01436	0.2
137.02327	10.6
137.03416	0.8
137.05913	0.2
138.02686	0.2
145.02829	0.4
145.06447	0.9
147.04393	0.2
147.11629	0.1
149.02328	1.2
153.01802	13.5
153.70319	0.1
154.02179	0.3
155.04883	1.4
155.06013	0.2
157.06483	0.2
157.09959	0.2
159.04395	0.3
161.05966	1.0
163.03888	1.7
165.00414	0.3
165.01814	4.7
166.02617	0.7
167.03346	0.1
173.05984	1.8
177.01730	0.2
177.05388	0.3
179.03372	0.5
179.08618	0.1
183.02866	1.8
183.04408	1.2
184.05223	0.1
185.05885	0.3
187.03886	0.9
189.05464	0.2
191.03378	0.4
191.07018	0.3
195.02888	0.4
200.04720	0.2
201.05438	6.1
203.14218	0.1
205.04973	0.5
207.02843	0.3
210.24933	0.1
211.03900	0.4
213.05437	0.3
215.03346	0.4
217.05081	0.2
219.02870	0.4
219.06506	0.7
228.04068	0.8
229.04927	11.3
230.05269	0.4
231.02919	0.2
232.03560	0.3
233.04352	0.2
239.03513	0.6
245.04375	0.1
246.05228	0.2
247.05949	1.6
257.04401	6.0
258.04803	0.3
261.03912	0.2
274.04660	1.7
275.05396	0.6
285.03918	3.2
285.07080	0.2
303.04932	100.0
304.05280	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01863	0.5
65.03922	0.7
67.01846	0.5
67.05476	0.3
68.99783	2.4
69.03410	0.2
70.06557	0.3
70.42374	0.3
72.61690	0.2
78.87868	0.2
79.86871	0.2
81.03401	0.8
81.07047	0.2
86.96647	0.2
91.05480	0.4
93.03389	0.8
95.04942	1.0
95.08608	0.3
105.03333	0.2
105.06960	0.2
109.02875	1.2
111.00780	1.9
112.07668	0.2
112.63110	0.2
117.06992	0.5
121.02840	2.4
123.04408	0.7
127.03913	0.5
129.07019	0.2
131.04889	0.3
133.02861	0.2
135.04413	0.5
137.02330	8.0
137.03409	0.7
138.02621	0.2
143.59608	0.2
145.02766	0.3
145.06444	1.1
147.04407	0.2
149.02333	0.9
153.01804	10.9
155.04910	0.8
155.06012	0.2
158.41832	0.2
159.04399	0.3
161.05960	0.6
163.03897	1.2
165.01807	3.8
166.02579	0.6
166.04922	0.2
173.05917	1.3
177.05347	0.3
179.03323	0.3
183.02849	1.7
183.04390	1.1
184.81143	0.2
187.03831	1.1
191.03340	0.4
195.02852	0.5
201.05428	4.2
202.05620	0.2
204.03864	0.2
205.04953	0.6
207.02899	0.3
211.03920	0.3
219.02914	0.3
219.06444	0.7
228.04152	0.8
229.04930	8.8
230.05363	0.3
239.03368	0.3
245.04422	0.2
246.05078	0.2
247.05922	1.1
257.04388	5.1
258.04984	0.3
274.04694	1.2
275.05310	0.3
285.03824	2.3
286.04337	0.2
303.04935	100.0
304.05286	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
53.36557	0.1
55.01861	0.4
65.03928	0.6
67.01845	0.5
67.05485	0.6
68.99777	2.6
69.03416	0.4
69.07049	0.2
70.06571	0.3
70.76150	0.1
71.04989	0.2
71.06921	0.1
79.05485	0.3
81.03389	0.8
81.07052	0.5
82.59844	0.1
83.54000	0.2
91.05467	0.5
93.03380	0.8
93.07018	0.4
95.04936	1.2
95.08595	0.6
97.06513	0.2
105.03385	0.2
105.07009	0.5
107.04919	0.2
107.08566	0.3
109.02853	1.3
109.10098	0.2
111.00787	2.0
111.04420	0.2
112.07532	0.2
115.05441	0.4
117.07004	0.6
119.08561	0.4
121.02840	2.3
121.10104	0.4
123.04417	0.7
127.03873	0.4
128.06152	0.2
131.04930	0.4
131.08481	0.2
133.02838	0.2
133.06390	0.2
133.10121	0.2
135.04408	0.6
135.41328	0.1
137.02325	8.3
137.03416	0.4
137.05925	0.3
137.09685	0.2
145.02815	0.2
145.06458	1.2
145.10100	0.2
147.11604	0.3
149.02335	0.8
153.01799	11.3
154.02112	0.2
155.04863	1.0
155.05994	0.3
157.06435	0.2
159.04387	0.4
159.11607	0.2
161.05984	0.6
163.03905	1.1
163.11261	0.2
165.01808	4.7
165.03162	0.3
166.02567	0.5
173.02359	0.2
173.05927	1.8
177.01860	0.3
177.05435	0.5
179.03328	0.4
183.02859	1.7
183.04405	1.2
187.03873	0.9
189.05467	0.2
191.03394	0.4
191.06979	0.2
194.02141	0.1
195.02850	0.5
201.05431	5.3
202.05745	0.2
203.03714	0.1
205.04893	0.3
207.02956	0.4
211.03889	0.3
213.05380	0.3
215.03300	0.3
219.02878	0.3
219.06494	0.7
228.04149	0.7
229.04916	11.1
230.05281	0.2
239.03432	0.5
243.11212	0.2
245.04420	0.2
246.05069	0.2
247.05927	1.5
257.04398	5.9
258.04776	0.2
271.04248	0.2
274.04703	1.7
275.05286	0.5
285.03885	2.9
285.12292	0.4
285.21909	0.2
286.04370	0.2
303.04926	100.0
303.23013	0.6
304.05261	4.4
304.08737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.39228	0.3
65.03919	0.6
67.01846	0.3
67.05495	0.4
68.99784	2.4
69.02558	0.3
69.03410	0.6
69.09090	2.2
74.19344	0.3
76.96454	0.3
81.03396	0.8
85.34514	0.3
93.03380	0.7
95.04950	0.9
95.08548	0.3
95.13715	0.4
105.03326	0.3
105.07018	0.4
109.02860	1.0
111.00749	1.7
115.05432	0.5
117.07014	0.5
121.02863	2.3
123.04423	0.7
127.03899	0.9
131.04909	0.7
135.04317	0.5
137.02327	9.8
137.03378	0.4
145.06490	0.6
149.02296	1.2
153.01797	10.5
155.04852	0.9
161.06000	0.8
163.03844	0.9
165.01820	3.9
166.02579	0.4
166.04808	0.3
173.05945	1.3
183.02841	1.3
183.04408	1.3
187.03902	1.2
190.30791	0.4
191.03342	0.4
195.02859	0.5
201.05423	4.2
205.05042	0.5
211.03860	0.7
217.05130	0.3
219.02835	0.3
219.06512	0.9
228.04060	0.9
229.04929	10.2
230.05202	0.4
239.03317	0.5
247.05986	1.1
254.77083	0.3
257.04382	5.4
274.04691	1.3
285.03928	2.5
286.04410	0.4
303.04932	100.0
304.05270	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	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50140	0.1
55.01860	0.4
61.66346	0.2
65.03944	0.8
67.01862	0.4
67.05498	0.4
68.99775	2.3
69.03419	0.2
70.06580	0.2
71.18069	0.2
77.03923	0.2
81.03400	0.8
81.07044	0.3
91.05473	0.2
93.03396	0.9
95.04942	0.8
105.03368	0.3
105.07024	0.3
107.04942	0.3
109.02853	1.1
111.00784	2.0
111.04417	0.2
115.05411	0.2
117.07006	0.5
119.04865	0.1
121.02847	6.2
123.04412	0.7
124.03959	0.2
127.03869	0.5
128.06190	0.3
129.06989	0.2
131.04893	0.4
133.02875	0.2
133.06512	0.2
135.04399	0.4
137.02328	8.2
137.03436	0.5
138.02644	0.2
140.36766	0.2
145.06470	0.6
147.04332	0.2
149.02330	0.7
152.03403	1.8
153.01796	10.5
154.02177	0.2
155.04887	1.0
155.05991	0.3
161.05940	0.9
163.03893	1.1
163.07680	0.2
165.01813	3.7
166.02495	0.5
173.05969	1.6
177.01724	0.3
177.05392	0.2
179.03398	0.3
183.02838	1.6
183.04387	0.9
187.03893	1.0
191.03375	0.3
191.06964	0.3
195.02852	0.7
201.05434	4.9
205.04935	0.4
207.02916	0.4
211.03741	0.4
213.05391	0.3
215.03314	0.2
217.04845	0.2
219.02991	0.2
219.06525	0.6
228.04108	0.8
229.04924	9.4
230.05418	0.2
239.03351	0.4
245.04356	0.3
246.05055	0.2
247.05957	1.4
257.04404	5.7
258.04916	0.2
272.05453	0.5
274.04694	1.2
275.05304	0.5
278.52365	0.1
285.03873	2.5
286.04224	0.2
303.04929	100.0
304.05270	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86004	0.1
51.75344	0.1
55.01854	0.4
57.60775	0.1
65.03933	0.5
67.01847	0.4
67.05486	0.4
68.99780	2.2
69.03410	0.3
69.20431	0.2
69.20839	0.5
75.08564	0.1
79.05489	0.2
81.03402	0.9
81.07030	0.2
91.05467	0.2
93.03389	0.6
95.04946	1.1
95.08581	0.2
95.35590	0.2
97.02905	0.2
98.23446	0.3
103.05447	0.3
105.03381	0.2
105.07018	0.2
107.04935	0.2
107.08563	0.2
109.02846	1.1
110.92138	0.1
111.00785	1.9
111.04385	0.2
112.07646	0.2
115.05391	0.2
117.07000	0.3
119.04936	0.2
121.02845	2.7
121.10114	0.1
123.04414	0.7
127.03855	0.4
128.06154	0.2
131.04880	0.5
135.04411	0.5
137.02325	8.6
137.03419	0.6
143.04964	0.2
145.02783	0.2
145.06458	1.0
149.02333	0.8
150.70448	0.1
153.01802	10.3
155.04881	1.2
155.05974	0.2
157.06519	0.2
157.38133	0.1
159.04367	0.3
161.06000	0.7
163.03905	1.1
163.07538	0.1
165.01828	4.0
166.02579	0.5
167.03372	0.1
172.03899	0.2
173.05972	1.5
177.01704	0.2
177.05457	0.4
179.03331	0.3
183.02847	1.7
183.04399	1.1
187.03902	1.0
191.03403	0.4
191.07004	0.2
193.04794	0.2
195.02893	0.5
201.05450	5.0
203.03334	0.2
205.04868	0.4
207.02890	0.4
211.03784	0.2
213.05450	0.3
215.03529	0.2
219.02925	0.3
219.06497	0.5
228.04124	0.7
229.04932	9.9
230.05309	0.3
239.03412	0.4
245.04413	0.1
247.05984	1.5
257.04407	5.7
274.04688	1.3
275.05408	0.4
285.03879	2.5
300.10690	0.1
303.04932	100.0
304.05255	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	303.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12286	0.6
52.78596	0.7
55.38988	0.6
56.96558	40.0
67.05497	1.1
69.03413	2.0
69.07018	0.6
70.06574	1.0
71.43745	0.8
72.08146	3.2
74.97636	1.6
84.08115	0.7
85.02897	1.5
86.09705	4.1
87.10019	0.6
91.05458	0.7
93.07030	0.8
95.04964	2.1
96.05272	0.9
97.02881	1.7
97.99146	1.1
98.03256	0.6
98.97572	11.4
112.07552	1.3
113.07961	0.7
114.06662	0.7
116.98611	9.6
123.04387	0.6
123.08060	0.8
132.08051	4.3
134.99667	5.3
136.77885	0.6
137.05997	1.2
140.07040	2.3
141.07379	1.5
141.09091	1.3
144.96870	0.8
151.07507	0.6
153.00708	0.7
170.02634	0.6
174.02249	22.6
175.02531	0.6
182.08315	0.6
183.08383	1.8
185.16455	1.2
188.03792	5.2
188.98822	0.7
190.00243	0.6
192.03300	45.3
193.03679	0.9
196.71492	0.7
197.03815	1.3
199.42365	0.6
202.01718	1.3
204.03307	2.0
206.04868	14.4
207.02072	1.4
210.04352	9.5
215.04892	21.3
216.03368	1.2
217.06459	20.2
220.02759	3.4
222.04349	4.4
224.05878	3.1
229.02837	0.9
231.04390	2.3
233.05956	14.8
234.04277	1.4
235.07506	18.4
236.02324	0.9
238.03886	1.5
239.11583	0.7
240.05304	0.7
243.04349	6.9
247.03789	1.7
249.05374	1.1
258.04373	2.6
261.05435	100.0
262.05746	2.5
267.11200	1.4
276.05392	2.1
279.06485	64.6
280.06863	1.8
284.07138	2.6
285.12433	1.6
286.03793	1.1
302.08237	0.7
303.06482	4.5
303.10437	13.3
303.14053	57.8
304.05078	0.9
304.14609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12618	0.4
51.02362	0.4
51.80359	0.3
55.05487	0.8
65.03919	0.3
67.05464	1.3
68.67620	0.3
68.99757	0.4
69.03402	0.4
69.07026	1.1
70.06530	0.4
70.33677	0.3
78.03443	6.5
79.04211	2.9
79.05440	1.3
81.07040	2.8
83.04948	0.3
91.05431	1.5
93.07008	2.5
95.04921	0.7
95.08127	0.3
95.08591	2.9
96.04451	1.3
97.06506	0.8
98.23554	0.5
105.04508	5.3
105.07029	3.1
106.02898	20.9
107.03203	0.5
107.08590	2.4
109.02860	0.5
109.06467	0.4
109.10136	2.1
111.03199	0.4
111.04446	0.4
111.07981	0.4
117.06965	0.4
119.08536	2.0
121.02897	0.8
121.10124	1.6
123.04369	0.4
123.08062	0.5
123.11678	0.8
129.06906	0.4
131.08533	1.6
133.10068	1.6
135.07974	0.4
135.11739	0.8
137.02283	2.0
137.09619	0.3
143.08504	0.5
144.06810	1.2
145.10100	1.8
147.04395	0.4
147.11615	1.4
149.09546	0.5
149.13217	0.7
153.01810	2.1
155.08478	0.4
157.10069	0.6
159.11661	1.8
161.13196	0.6
163.11075	0.4
165.01755	0.8
166.04927	0.8
171.11635	0.8
172.06223	1.2
173.13203	1.2
177.12712	0.6
183.08130	0.6
183.11650	0.4
185.13280	0.7
187.14696	0.6
191.14175	0.4
192.02831	2.3
197.13393	0.4
199.14751	0.6
200.05731	1.5
201.05450	1.0
201.16380	0.6
211.07521	0.4
211.14780	0.7
215.17947	0.4
227.17856	0.6
228.05249	30.5
229.05141	1.5
240.52139	0.4
244.05934	2.1
244.91699	0.3
256.04742	50.3
257.04721	2.9
267.20947	0.7
271.07080	100.0
272.07419	3.7
274.04605	0.5
285.05820	1.3
285.08621	0.4
285.19019	0.4
285.21954	2.0
303.04944	18.1
303.09692	28.8
303.19608	0.6
303.23087	5.4
304.05295	0.7
304.09995	1.1
306.87680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05544	0.6
56.10901	0.6
56.96608	40.1
61.16751	0.6
69.03455	1.3
70.06640	0.7
72.08170	1.0
74.97678	1.3
78.35145	0.6
83.97683	0.9
85.02950	1.6
86.09727	1.1
91.05583	0.6
95.05006	1.1
96.05353	0.7
97.02945	1.0
97.99214	1.4
98.97571	12.4
113.07957	0.7
113.63856	0.6
116.98607	10.0
116.99371	0.6
123.08099	0.9
132.08076	4.0
134.99635	4.9
137.05928	1.3
137.07991	0.6
140.07095	1.1
141.07382	1.1
141.09119	0.8
162.97881	0.6
174.02245	24.2
183.08421	1.2
186.02310	0.6
188.03780	7.5
190.00259	0.8
192.03288	46.7
193.03677	1.3
197.03835	1.2
202.01842	0.9
204.03352	2.2
206.04845	17.2
207.05312	0.7
210.04330	9.6
215.04884	20.4
215.06834	1.2
216.03339	1.1
216.05252	1.2
217.06462	20.0
218.06932	0.7
220.02795	2.7
220.34737	0.6
222.04254	3.3
224.05908	3.3
225.03040	0.7
229.02788	0.8
231.04292	1.5
233.05936	16.0
233.08145	1.0
234.04305	1.2
235.07523	16.6
236.02321	0.9
238.03883	1.6
239.11845	0.6
240.05519	0.6
243.04297	7.6
247.03822	1.8
249.05475	1.2
258.04385	2.9
261.05429	100.0
262.05798	4.6
276.05334	1.7
279.06476	71.3
280.06708	3.5
284.06973	2.4
285.12399	1.6
286.03766	1.4
286.07080	0.6
303.06442	3.8
303.10403	5.8
303.14014	49.2
304.14407	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82035	0.2
63.13042	0.3
65.03934	5.6
67.05482	0.3
68.99800	0.3
69.50867	0.7
82.28307	0.2
87.84414	0.2
93.03391	2.2
96.04473	0.3
96.20558	0.2
97.02847	0.2
111.04431	1.2
119.84562	0.2
121.02852	100.0
122.03175	2.2
124.03938	3.6
127.03967	0.2
137.02328	1.0
138.02679	0.2
152.03410	39.9
153.01801	0.9
153.03726	0.5
154.02199	0.5
166.02119	0.3
178.01392	1.1
181.24493	0.2
184.06030	11.0
185.06433	0.2
202.05771	0.3
208.65164	0.2
230.05170	1.0
258.04800	0.7
272.05508	14.7
273.05734	0.6
286.04163	0.3
304.05280	11.8
304.08698	0.6
305.05295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.0
65.03936	4.2
69.03476	0.7
70.06584	1.8
88.07611	2.7
93.03378	1.3
95.91882	0.7
102.09164	1.1
104.99310	0.8
111.04435	1.0
121.02850	100.0
122.03179	2.9
124.03949	2.9
152.03407	40.4
153.03877	0.7
178.01305	1.3
184.06026	12.7
200.91757	0.7
216.29808	0.6
231.63785	0.6
242.24796	4.2
246.23466	0.7
272.05490	18.0
273.05798	1.1
304.16711	0.9
304.28400	9.5
305.17184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01857	2.0
55.05503	1.7
57.03424	5.7
58.02940	1.2
58.06594	6.5
60.04520	8.9
61.02909	3.3
69.03416	16.6
69.07058	42.7
71.04980	3.9
71.08623	23.0
73.02905	2.6
81.03399	9.3
84.04492	3.8
85.02893	70.1
86.02413	7.1
86.03207	1.3
92.83478	1.0
93.03413	1.3
95.04913	2.1
96.08101	2.8
97.02877	44.4
97.06525	7.7
99.04430	4.2
103.03953	5.8
109.02866	11.4
110.02405	1.1
111.04368	1.1
114.09152	18.9
115.03845	1.3
124.07593	2.0
125.09625	2.7
126.09200	1.6
127.00406	1.1
127.03896	13.2
130.06544	1.6
137.05925	1.3
138.09122	5.5
141.07417	1.3
142.08614	100.0
143.08974	2.4
143.10651	2.0
145.04922	8.6
154.08611	1.7
156.10164	2.9
166.08682	1.5
180.10202	1.4
182.08260	1.4
184.09663	77.5
185.10019	1.3
208.09656	18.2
215.05658	1.5
220.09608	2.0
238.10632	3.2
250.10654	9.8
256.62012	1.1
258.07681	1.5
268.11523	3.0
286.07120	5.8
286.12613	4.1
294.49768	1.2
304.08084	3.1
304.13974	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	304.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01874	2.8
55.05496	2.1
57.03425	4.7
58.06589	2.6
60.04510	8.5
61.02913	4.9
65.03933	3.0
67.01902	1.2
69.03410	16.6
69.07055	46.0
69.16697	6.0
70.06557	1.1
71.04976	1.8
71.08623	22.5
72.08136	1.7
73.02908	2.6
81.03409	10.4
81.07031	1.2
83.04975	2.0
83.08590	1.1
84.04481	2.2
85.02891	67.0
86.02407	5.4
86.03202	1.3
86.09702	1.6
87.04465	1.4
88.56860	1.0
91.03968	1.3
92.87305	1.1
92.89060	1.1
93.03407	3.0
93.07003	1.2
93.60985	1.2
96.04474	1.2
96.08109	3.9
97.02873	43.6
97.06513	5.2
98.03232	1.3
98.23447	2.0
99.04439	2.6
103.03915	5.0
106.02907	1.6
109.02854	13.6
111.04421	2.9
114.09147	17.4
121.02876	1.5
124.03886	1.1
125.09569	1.3
126.09100	1.4
127.03894	16.8
134.02383	4.0
136.03949	5.2
137.02332	1.7
138.05463	3.3
138.09151	4.0
142.08609	100.0
143.08978	1.6
145.04924	6.5
152.10683	1.2
152.69554	1.1
156.10208	2.7
166.05022	4.7
178.08733	1.3
180.10194	1.3
184.09665	80.7
185.09995	3.3
187.06247	2.0
192.02892	15.4
194.04474	7.6
198.05449	2.0
202.08636	1.8
208.09666	18.3
215.05791	4.1
220.06064	2.2
220.09731	3.6
230.05539	1.2
230.08075	4.2
238.10725	3.7
243.05147	1.7
244.06099	1.7
248.09093	1.2
250.10658	11.1
258.07507	7.5
268.06015	1.1
268.11798	1.1
276.08646	4.6
286.07059	18.8
286.12756	2.3
287.52509	1.3
304.05219	8.9
304.08182	13.9
305.15622	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01859	1.3
55.05513	1.4
57.03435	4.4
58.06590	1.6
60.04526	6.6
61.02671	0.6
61.02924	4.8
66.80186	0.7
69.03422	15.7
69.07061	38.6
69.07439	1.9
70.06571	0.8
70.07405	0.9
70.33634	1.7
70.71641	0.8
71.01346	1.0
71.04971	1.9
71.08627	18.9
73.02913	2.5
79.05485	0.7
81.03407	9.2
81.03838	1.1
83.01298	0.7
83.08625	1.1
84.04509	3.9
84.97268	0.9
85.02896	62.6
86.02421	4.8
91.03954	1.2
96.04501	1.2
96.07578	0.7
96.08094	4.1
97.02881	42.5
97.06519	7.2
98.03212	0.8
99.04442	2.5
103.03938	5.3
109.02866	11.2
114.09153	16.3
117.43195	0.7
124.07529	0.8
127.03899	13.2
138.09126	3.5
142.08620	100.0
143.08940	1.9
145.04921	6.9
154.08560	1.1
156.10159	2.5
180.10191	1.1
184.09671	71.5
185.10097	2.2
189.62593	0.9
208.09683	16.5
220.09703	2.6
222.10982	0.9
237.45868	0.8
238.10725	1.6
250.10718	9.2
258.04922	0.8
268.11716	1.0
286.06943	1.2
286.12869	1.1
304.05362	3.2
304.13995	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	304.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	7.0
56.96556	27.2
57.52417	3.5
58.06595	21.8
69.42673	16.7
70.06579	10.2
74.06055	16.6
79.05472	4.3
83.04950	4.8
84.04476	6.1
84.96028	8.0
85.02899	9.1
86.09691	56.5
95.04919	3.6
96.08088	18.5
97.02898	4.8
98.45043	4.1
98.97569	46.6
101.07117	10.7
110.82906	3.6
110.97549	10.1
112.99094	6.4
116.98589	26.4
124.07569	94.6
128.98593	10.3
131.00119	10.0
134.99664	11.6
142.08603	100.0
142.09662	5.7
142.12234	4.2
149.01196	6.9
157.13368	9.1
158.99585	7.4
172.94296	6.0
173.67407	3.9
177.00671	10.3
180.55199	8.0
184.09515	5.1
187.14383	57.6
190.95409	19.2
191.10164	4.0
203.05769	4.8
203.13786	4.6
215.13849	10.6
219.01712	14.9
220.63431	4.0
231.11322	4.2
232.96364	12.7
237.02748	25.4
250.97568	6.0
263.04358	10.4
280.94760	6.0
281.05362	36.4
282.15604	3.8
294.83536	4.6
304.11594	8.0
304.15381	15.2
305.05582	5.0
305.08878	7.8
305.11819	4.7
323.06491	8.3
323.10049	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	304.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68512	0.2
55.01832	0.2
55.05495	0.9
56.05019	0.5
57.07058	0.6
58.06591	0.3
59.05001	0.2
65.03923	1.1
67.05496	1.1
69.07056	3.5
71.44590	0.2
74.06068	0.4
77.91888	0.2
79.05482	1.9
81.07079	1.0
83.08595	0.6
88.07611	0.9
91.05457	1.1
91.27776	0.2
92.04996	0.8
93.03387	2.1
93.07022	2.0
95.04950	0.3
95.08583	0.7
97.06526	1.3
105.06980	0.4
107.04925	0.9
107.08573	1.5
109.05272	1.1
109.10137	0.7
110.03645	6.7
111.04430	2.9
120.04449	0.8
122.06000	0.3
122.08083	0.3
123.26807	0.2
124.07565	2.2
125.05977	10.4
133.10020	0.4
135.11667	1.4
137.04704	5.1
137.05937	2.8
145.06459	0.2
152.07040	100.0
153.05464	0.3
153.07373	1.8
168.13808	0.3
177.09047	0.7
189.09047	0.3
247.19389	0.2
256.26294	0.6
304.15866	0.2
304.19019	3.2
304.28293	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	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83676	0.5
55.05496	1.2
56.05030	12.5
57.07069	8.9
58.06593	6.5
60.04517	8.1
67.05481	0.8
68.05021	0.9
69.07050	1.2
71.08623	4.5
74.06074	12.1
75.67912	0.4
78.68294	0.4
81.07038	1.3
85.06486	0.5
85.10162	2.1
86.06042	1.2
88.07616	38.5
91.05473	1.2
93.07011	1.1
95.04900	0.5
95.08578	0.9
104.07098	0.7
104.25221	0.5
105.07003	0.8
106.07322	0.6
107.08610	0.8
108.60291	0.5
118.08640	7.3
121.02864	0.6
121.06473	0.5
122.08133	8.6
131.08565	0.8
132.08861	0.6
145.10106	0.5
146.10443	1.0
149.05890	0.6
174.30713	0.5
192.22429	0.5
219.17484	0.5
242.24661	0.6
245.85326	0.5
256.26312	38.3
257.26608	1.4
268.21439	0.6
268.26318	1.2
286.22342	1.3
286.27420	2.5
304.28406	100.0
305.20874	1.1
305.28802	5.4
320.67096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.4
56.04774	2.4
56.05028	30.5
57.06814	2.2
57.07071	30.2
58.06592	20.5
58.35137	1.2
60.04507	5.3
68.04993	1.7
71.08617	21.7
74.06071	30.2
79.05483	1.7
81.07072	1.3
85.10167	10.4
86.06045	5.1
86.06535	1.4
87.06274	1.3
88.07603	4.2
91.05441	1.5
93.07008	1.2
104.07046	1.2
105.07013	1.3
113.06012	2.1
118.08639	10.5
122.08128	58.4
122.09012	3.0
136.23785	1.4
137.05974	6.0
212.88890	1.5
232.94397	1.3
256.26321	3.9
300.53073	1.3
304.28403	100.0
305.11447	1.4
305.28894	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	305.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	64.3
60.03797	2.4
69.66116	11.5
70.06596	4.9
70.98078	2.6
79.06445	3.2
83.04900	3.1
84.08134	6.7
84.96040	9.3
86.09686	4.0
86.67274	2.9
97.02883	4.0
98.97578	100.0
104.90829	7.0
110.97580	26.1
112.99129	16.6
116.98618	51.5
124.95563	3.6
124.99145	4.3
128.98602	23.0
130.93323	7.4
131.00156	32.0
134.99678	19.5
140.98477	3.3
143.00179	13.4
146.91812	30.3
146.99643	17.2
148.94525	3.7
149.01213	22.7
153.00734	3.7
158.99664	8.1
161.01221	14.7
161.02945	5.4
164.92880	9.9
165.00713	4.5
167.02295	4.4
170.99712	3.0
172.94374	17.3
173.01212	8.4
173.02872	3.3
173.12817	5.3
174.99080	4.6
177.00737	9.6
179.02304	10.5
182.93933	3.5
185.01228	12.9
186.99115	3.4
189.00670	5.3
190.95370	26.9
191.02229	22.8
193.00272	2.9
197.03357	3.0
203.02249	36.1
207.19530	3.1
208.96475	9.1
214.95401	7.2
219.01750	13.5
221.03340	8.0
232.96452	29.8
237.02805	16.9
244.99870	4.1
245.03139	5.2
250.97469	12.9
261.02774	5.5
262.93646	3.5
263.04367	8.6
271.95618	3.5
280.94766	5.0
281.05396	13.7
282.96527	4.8
305.05896	18.3
305.12100	53.4
322.91885	9.9
323.06326	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	305.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	66.5
58.06609	4.0
70.06573	5.6
70.47834	4.4
70.98111	6.1
74.97601	6.8
75.49644	2.5
80.31214	2.6
84.08154	6.8
84.96053	5.0
85.02895	6.7
86.80270	3.0
88.99146	3.7
97.02850	2.9
98.97573	100.0
104.90798	7.9
110.97546	22.8
112.99133	19.9
116.98606	59.8
124.99145	3.2
125.02317	3.8
128.98596	24.0
130.93277	14.6
131.00146	29.5
134.99635	30.5
140.98615	4.0
142.08652	7.1
143.00148	14.4
143.03331	3.5
146.91833	30.1
146.99605	18.9
149.01233	22.3
153.00713	5.0
158.99615	10.7
161.01213	22.2
161.02859	3.9
164.92891	14.0
165.75565	2.9
167.02333	3.2
170.99690	5.3
172.94304	25.2
173.01187	14.1
174.99069	4.8
177.00690	10.7
179.02257	18.6
182.94061	3.3
185.01204	13.9
188.97054	3.6
189.00749	6.9
190.95355	34.8
191.02235	22.2
194.04948	3.1
203.02203	35.7
208.96506	11.6
209.03299	3.8
214.95432	7.0
219.01729	20.4
221.03410	8.9
224.57750	3.8
227.02463	2.9
232.96408	34.8
237.02811	29.6
245.03349	5.3
250.97449	20.1
262.93814	5.4
263.00876	7.3
263.04373	6.9
274.97565	4.9
280.95102	9.0
281.05368	20.8
282.96683	3.9
304.90991	3.8
305.05740	22.1
305.11960	64.5
306.05811	3.9
322.91879	8.5
323.06339	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	7.8
58.06588	1.2
70.06596	1.3
79.34838	0.6
84.96027	3.0
85.02856	0.7
88.28091	0.5
98.97571	13.8
100.25926	0.6
101.00915	0.8
110.97552	3.7
112.99127	2.5
116.98621	6.1
119.01913	1.1
125.07922	1.2
128.98598	2.9
130.06514	0.9
130.93311	0.8
131.00168	3.2
131.01875	0.8
134.99664	1.8
140.98601	0.7
143.00171	1.1
143.01904	0.9
143.06790	1.9
146.91856	1.0
146.99626	1.2
149.01236	1.0
152.98540	0.8
158.06023	1.1
158.99612	3.0
159.03325	1.1
161.01222	1.9
161.02963	3.2
161.04756	0.7
164.92926	0.7
170.99716	1.2
172.94325	1.5
173.01202	0.6
173.02870	0.9
173.07008	0.6
177.00677	2.8
177.04236	1.0
179.05920	0.7
190.95370	1.5
191.02361	0.8
197.10159	0.6
201.00740	1.0
203.02203	0.9
203.05957	0.9
208.96408	0.7
219.01686	5.7
222.04440	0.6
226.50021	0.6
232.96461	1.7
235.36473	0.6
237.02794	7.5
250.97397	1.0
263.04373	3.5
281.05371	11.2
305.12048	100.0
306.12439	3.6
323.06448	1.9
323.10068	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	305.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63300	0.4
53.03949	0.8
55.05506	0.6
65.03928	0.4
65.05959	0.3
67.05490	1.7
69.03423	0.7
69.07053	0.8
70.06597	0.3
77.03897	0.6
79.05479	1.0
80.05004	0.4
81.07049	2.6
85.06534	0.4
91.05476	4.0
93.05743	0.8
93.07035	4.3
94.06545	0.9
95.04946	2.1
95.08602	2.2
96.08100	0.7
97.06491	0.5
105.04485	0.8
105.07028	0.6
107.08581	1.3
108.04449	0.4
108.08096	1.9
109.06514	0.5
109.10132	1.4
119.08552	0.7
121.10133	0.9
122.06011	3.7
123.08116	0.3
123.11678	0.5
124.07584	9.9
125.09591	0.5
126.05491	1.2
133.10063	0.6
135.11726	0.8
136.07562	100.0
137.07919	3.2
137.09561	0.4
138.09048	0.5
140.07065	1.3
145.10091	0.6
147.11690	0.5
149.13165	0.4
150.05479	0.9
152.07053	17.8
154.07953	0.3
164.07048	76.0
165.07362	2.6
166.08624	0.4
168.10410	0.3
170.08115	4.3
177.12614	0.4
182.08116	14.3
247.68037	0.3
274.34454	0.3
287.13821	3.7
300.83829	0.4
305.14929	0.6
305.24808	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20121	5.4
51.29443	5.0
53.56381	4.7
55.01864	7.1
55.05497	6.5
57.03428	20.7
58.06592	100.0
58.98610	5.2
60.04515	7.2
61.02889	5.5
67.05498	8.5
69.03416	24.7
69.07059	24.5
69.85500	6.0
70.07402	5.4
71.05007	28.3
76.56638	4.8
79.05467	6.6
81.03401	13.1
83.04971	10.8
83.08591	6.5
85.02889	62.9
85.06532	8.0
86.03215	12.1
93.07030	9.4
95.04955	44.3
95.08597	6.5
97.02882	34.8
97.06518	5.6
97.10139	8.8
98.97550	5.7
99.04455	8.0
103.03940	6.9
107.08595	37.5
109.02831	7.6
125.09635	71.5
127.03896	12.6
136.07574	6.7
136.19298	5.6
137.06009	11.2
137.09631	5.8
142.08620	19.6
143.08943	24.2
143.10666	74.4
144.10181	9.8
145.04930	9.4
153.85316	5.7
167.10660	44.9
185.09953	19.6
209.09987	9.3
209.11734	6.3
220.05922	5.5
262.06967	7.8
288.08615	6.3
304.17789	5.7
305.07712	6.2
305.11624	7.9
305.14877	11.4
306.05936	5.4
306.16953	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1721
Annotation	Discadenine
Peak:m/z	Relative Intensity
50.96828	0.7
54.70703	0.6
55.05481	0.8
59.04986	0.6
64.14427	0.7
69.07040	0.8
69.08801	4.0
69.78792	0.6
72.54477	0.6
73.29285	0.7
81.07030	1.1
91.05463	1.0
95.08572	1.4
98.22681	1.2
105.07043	1.1
105.84049	0.7
107.08538	0.9
117.06980	0.8
119.08610	0.8
185.09669	0.7
189.12802	0.7
197.33357	0.6
204.24879	0.7
235.09390	1.1
305.17197	100.0
306.17554	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	305.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01869	3.5
55.05505	9.9
57.03432	2.4
57.07060	2.0
58.06588	1.6
58.49062	0.9
59.04999	1.2
60.15286	0.8
62.46037	1.0
65.03935	3.0
67.05495	27.3
69.03430	2.7
69.07059	7.1
69.78890	1.9
71.04980	1.4
72.04511	6.9
79.05482	37.6
81.03429	4.5
81.07046	100.0
82.07388	1.9
83.04977	3.0
83.08611	3.2
85.06522	2.1
90.82107	1.0
91.05467	21.4
93.07028	18.2
95.04955	20.9
95.05526	1.6
95.08585	13.4
97.06518	3.0
97.10121	1.0
98.06038	2.1
98.23438	1.5
99.08074	1.2
99.46173	1.2
105.04499	1.6
105.07023	12.6
107.04949	7.4
107.08571	8.6
109.06505	82.0
109.10121	5.8
110.06843	1.8
114.09187	1.2
115.05447	1.0
117.07000	8.6
119.08573	9.6
121.06487	4.8
121.10134	6.5
123.08076	3.3
125.09597	5.9
129.06996	4.2
131.08542	7.3
133.06503	3.5
133.10091	4.9
135.08040	7.6
135.11697	3.4
137.05928	4.7
137.09622	1.4
143.08549	3.6
145.10091	9.4
147.08028	5.1
147.11678	2.4
149.09608	7.4
149.13242	1.6
157.10127	2.4
159.11705	2.0
161.09605	10.9
163.11169	3.0
169.10136	1.2
171.11688	2.2
173.09587	2.0
175.11209	2.2
177.12794	1.6
185.13152	1.2
187.14713	1.1
198.18260	0.9
213.16539	1.3
216.46478	1.1
221.15335	10.2
238.13640	1.0
245.18872	1.9
255.17462	2.0
273.18484	10.6
305.21094	12.6
305.30283	2.4
306.27875	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2108
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03931	3.7
55.01857	12.6
55.05503	28.2
57.03416	3.6
57.07061	2.0
58.06585	2.1
59.04974	1.5
65.03938	3.2
67.05492	27.3
69.03417	5.6
69.07050	11.2
71.04986	3.3
73.22855	1.4
74.06065	2.7
74.66921	1.2
77.03903	2.6
79.05476	50.1
81.03408	3.8
81.07045	73.5
83.04961	4.9
83.08597	13.3
85.06539	4.2
86.93549	1.7
88.07633	6.5
89.07951	2.3
91.05465	41.0
93.07024	32.5
95.04953	21.2
95.08591	21.8
97.06519	5.8
97.10148	15.0
103.05489	1.8
105.03425	2.7
105.04497	1.7
105.07005	30.7
105.96653	1.3
107.04929	21.8
107.08573	19.8
109.06492	9.7
109.10126	7.7
111.08086	3.3
115.05453	2.0
116.06200	1.9
117.07000	23.0
119.04916	4.8
119.08555	50.1
121.06488	22.8
121.10121	11.7
123.08044	7.8
125.09612	21.1
128.06175	3.0
129.06993	13.0
130.07854	1.5
131.08543	24.1
132.05733	1.5
133.06473	10.1
133.10106	8.7
135.08035	18.5
135.11623	3.3
137.05959	21.8
137.09573	3.3
142.07751	1.6
143.08521	11.4
145.06480	2.6
145.10089	21.8
146.10396	1.3
147.08037	22.3
147.11656	7.1
149.05936	1.9
149.09589	9.7
151.11220	1.3
153.09036	2.4
155.08569	2.9
157.10085	10.2
159.08008	6.3
159.11655	5.9
160.36879	1.3
161.09589	11.6
161.13263	2.8
162.10333	1.9
163.11125	10.0
167.10657	1.3
169.10155	2.9
171.08014	1.6
171.11609	6.9
173.09599	2.7
175.11134	7.0
177.12840	2.4
185.09560	1.8
185.13274	4.0
187.11137	3.1
189.08865	1.7
189.12703	3.0
195.11647	2.2
199.11101	3.9
203.12746	6.3
205.12263	3.0
213.12680	2.2
213.16364	3.2
227.17896	3.9
231.17339	2.3
237.16554	2.2
245.18994	6.1
255.17345	6.9
257.26682	4.0
263.16409	8.2
273.18433	45.7
274.18704	2.7
287.16431	2.9
287.19989	4.9
305.17981	3.5
305.21060	100.0
305.28522	14.1
306.21341	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26376	0.6
52.28970	0.7
53.03942	3.9
55.01861	6.2
55.05501	15.1
57.03419	3.1
57.07046	1.3
58.06583	2.9
59.04994	1.4
65.03929	2.9
67.05495	34.9
68.05833	1.4
69.03406	2.2
69.07059	7.9
69.19538	1.6
69.19946	3.0
71.04977	2.9
73.04211	1.0
74.52180	0.7
79.05483	38.9
80.05828	1.3
81.03419	5.1
81.07047	100.0
82.07378	2.9
83.04955	2.6
83.08595	2.8
84.25196	0.8
85.05302	0.8
85.06535	2.6
91.05466	26.4
92.05801	3.3
93.07034	22.8
93.65634	0.8
94.07382	1.2
95.04952	39.9
95.08594	11.4
96.05273	0.9
97.06475	3.9
97.10145	2.9
98.06008	1.7
98.22629	1.5
99.06354	1.5
99.26895	0.7
99.54339	0.7
101.55194	0.7
103.05466	1.2
105.04474	1.2
105.07014	15.8
107.04952	11.0
107.08576	10.9
109.06503	92.8
109.10147	3.7
110.06818	1.5
111.08083	1.5
115.05466	2.3
117.07006	12.7
119.08560	12.3
121.06482	8.4
121.10117	7.1
123.04436	1.1
123.08046	3.1
123.11729	0.9
125.09602	4.1
128.06194	1.3
129.07004	4.4
130.07777	1.3
131.08554	10.3
133.06468	4.3
133.10130	6.6
135.08032	12.6
135.11642	4.1
137.05948	4.0
137.09561	2.0
138.30321	0.8
138.42131	0.8
141.06993	0.9
142.07753	0.8
143.08539	6.1
145.06514	1.2
145.10091	9.8
147.08015	6.7
147.11696	2.8
149.09612	7.8
149.13313	1.3
151.11124	1.3
157.10141	2.8
159.08034	1.2
159.11678	3.7
160.70773	0.8
161.09595	11.7
161.13206	1.2
163.07544	1.0
163.11192	4.8
165.12689	2.3
169.10086	1.9
171.11674	3.5
173.09558	1.8
173.13208	1.7
175.11139	2.7
177.12679	1.8
185.09709	1.1
185.13269	2.0
187.11148	3.1
191.10623	1.9
199.11090	0.9
199.14709	1.2
201.12633	1.2
205.12334	1.7
209.17258	0.8
213.16180	0.8
217.12206	0.8
217.15939	2.4
227.17876	2.2
237.16386	1.7
245.19019	2.2
255.17508	3.4
273.18481	18.9
274.18747	1.3
287.19934	1.0
305.17801	0.7
305.21091	18.9
305.26608	10.9
305.30539	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	305.2108
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
53.03942	0.8
54.40019	0.5
55.01865	3.3
55.05256	0.7
55.05504	13.4
57.03420	1.4
57.07064	1.7
59.04988	2.0
65.03922	2.0
67.05151	1.0
67.05497	13.9
69.03410	1.4
69.07061	9.0
69.61497	2.1
71.04628	0.6
71.04976	2.7
73.06546	1.2
79.05489	15.8
81.03439	1.1
81.07043	14.4
82.08181	0.6
83.04973	1.9
83.08605	2.4
85.06515	2.0
91.05470	20.0
92.05794	0.9
93.07033	11.7
95.04956	5.1
95.08591	10.1
97.06510	2.9
97.10125	1.5
98.69213	0.7
99.08072	1.1
103.05450	1.2
105.04538	0.8
105.07015	17.8
106.07344	0.7
107.04942	3.6
107.08577	9.3
108.05734	0.8
109.06505	7.3
109.10149	2.9
111.04424	4.0
111.08057	1.3
112.05164	0.7
113.05980	1.3
115.05454	1.5
116.06176	0.8
117.07005	9.6
119.04922	2.0
119.08570	11.8
121.06487	14.6
121.10108	3.7
123.04428	3.1
123.08064	3.4
123.11692	1.1
125.05986	5.3
125.09626	1.1
126.06767	5.4
128.06140	1.4
129.06972	4.0
130.07770	1.1
131.08554	11.3
133.06456	3.7
133.10107	6.6
134.07259	1.2
135.08025	9.7
135.11716	1.9
137.05969	7.2
137.09561	3.6
139.07503	2.8
139.11172	0.9
142.07791	1.4
143.08574	5.5
145.06409	0.8
145.10115	9.8
147.08032	8.5
147.11674	5.6
148.08792	1.3
149.09647	3.9
149.13213	0.9
151.07530	5.1
151.11124	1.0
153.09082	0.8
155.08595	1.1
156.09187	0.6
157.10124	4.9
159.07994	1.6
159.11682	4.8
160.08778	0.7
161.09579	8.3
161.13263	2.0
163.07570	0.7
163.11183	6.3
165.09084	2.0
169.10043	0.7
171.11655	2.8
173.09534	1.2
173.13271	1.3
175.11157	7.0
177.12689	3.5
177.82571	0.7
179.10674	1.8
181.12241	0.8
185.09581	0.8
185.13258	1.1
187.11115	1.6
189.12697	2.3
190.13487	1.6
191.14297	1.8
193.12219	2.9
194.11780	1.2
199.11104	1.0
203.14227	1.3
205.12294	0.8
205.15860	1.1
207.13785	8.5
208.14452	1.0
213.16193	0.9
227.17955	2.1
233.15424	0.9
235.13145	1.4
236.14024	0.9
237.14757	2.7
245.18950	3.4
250.18025	1.2
255.17365	1.6
259.20612	2.3
263.16412	2.2
273.18475	7.8
277.21603	2.5
287.20007	2.3
305.21069	100.0
305.26691	3.1
306.21384	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.247
Annotation	Cyanthiwigin W
Peak:m/z	Relative Intensity
55.05504	8.8
57.07058	2.3
60.94663	1.2
65.03918	1.2
65.05322	1.1
67.05496	25.7
69.03417	2.0
69.07058	13.3
70.06538	1.6
79.05480	16.2
81.07043	58.3
83.08590	3.6
88.07667	1.1
91.05469	24.0
92.06356	1.1
93.07034	39.1
95.04927	3.9
95.08592	100.0
97.06506	3.0
97.10146	2.9
105.06348	1.7
105.07019	31.1
107.08579	35.9
109.06467	2.3
109.10138	28.9
111.08057	4.9
111.11698	1.8
117.06972	3.9
119.08561	30.5
119.51804	1.4
121.10124	28.6
123.11678	17.4
125.09614	2.7
129.06975	2.5
130.39153	1.1
131.04962	1.4
131.08539	7.6
133.10112	18.4
135.11681	34.3
137.09579	2.2
137.13217	4.7
139.11150	8.9
143.08488	2.0
145.10095	10.4
147.10558	2.3
147.11670	35.4
149.13243	10.9
151.11133	5.3
152.03410	1.7
153.12732	6.0
157.10092	2.9
159.11690	9.1
161.13216	10.3
163.11188	1.5
163.14796	4.7
165.12746	7.1
171.11630	4.7
173.13243	9.8
175.14804	5.5
177.16400	1.3
180.49974	1.2
185.13268	2.7
187.14778	8.3
189.16304	2.8
191.14294	1.8
199.14767	5.6
200.20085	2.5
201.16315	4.3
205.15758	1.4
213.16310	5.4
227.18011	7.6
229.19464	32.4
233.04135	1.2
241.19585	2.2
244.22568	2.9
245.18968	3.7
247.20560	2.1
257.22717	7.9
259.24301	1.5
269.19702	2.1
269.22598	35.8
270.22983	1.4
275.23706	10.7
287.23651	41.4
288.23978	2.1
305.05453	1.9
305.17453	1.7
305.21335	2.1
305.24680	43.0
306.26462	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	306.1698
Annotation	Porritoxin
Peak:m/z	Relative Intensity
55.01865	0.3
56.05032	0.6
57.03418	0.3
58.06593	100.0
59.06927	1.0
67.05497	0.3
69.03423	1.0
69.07069	0.3
70.06622	0.3
70.64929	0.4
71.04971	0.3
72.08159	0.4
73.02918	0.3
74.06084	0.4
79.05516	0.3
81.03410	1.0
85.02899	3.2
97.02880	0.6
97.10175	0.3
99.04446	0.9
103.03938	1.5
105.07034	0.3
108.04472	0.3
109.02827	0.4
111.27448	0.3
114.10272	0.3
122.06029	0.4
126.01053	5.4
126.05512	0.3
127.03903	1.8
130.06557	0.4
136.03954	0.5
144.02097	4.6
145.02809	1.1
145.04962	0.8
146.05969	0.6
149.05856	0.3
158.06030	0.6
162.01897	0.4
168.06680	0.3
174.05850	0.4
175.08704	0.5
177.05472	1.5
188.07031	0.7
205.09741	0.4
208.06129	0.3
217.12000	0.3
243.10173	0.8
244.64491	0.3
245.09457	0.3
245.11722	2.2
247.10738	0.5
252.04985	0.4
254.49463	0.3
256.05972	1.6
274.07086	0.6
288.05350	0.3
288.08615	0.3
289.11642	0.6
306.09650	0.8
306.16959	36.9
307.13348	0.6
307.17392	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	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00379	0.4
61.05051	0.5
69.07051	1.6
69.82693	1.3
69.83060	0.7
71.31911	0.4
79.05460	1.0
81.07019	0.6
82.76661	0.4
91.05434	0.5
94.04174	1.7
97.06477	0.5
100.07597	0.7
107.08519	0.6
109.10133	0.7
122.03621	5.8
133.10074	1.0
135.11655	1.4
137.05951	100.0
138.06294	1.9
141.84019	0.4
153.12682	1.0
153.34862	0.5
170.15350	3.3
182.15363	2.9
199.44852	0.4
255.20795	0.5
305.51196	0.4
306.20605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.4
57.07067	6.3
58.06585	2.4
61.11057	0.3
63.35178	0.3
68.04993	0.6
69.07060	0.7
69.19595	2.0
70.06583	25.0
71.08620	3.7
72.08148	2.4
81.07034	0.5
84.07719	0.3
84.08128	2.9
86.09278	0.3
86.09694	3.6
88.07618	11.1
89.06013	0.8
93.47498	0.3
95.08569	0.5
102.09160	5.7
114.09127	0.6
129.03824	0.3
132.10191	9.0
146.11745	9.7
156.17442	3.3
177.05392	0.4
182.19057	0.9
184.20534	0.3
200.20065	21.2
201.20355	0.6
231.29681	0.3
244.22685	42.6
245.22977	1.5
288.25323	1.4
306.26343	100.0
307.26700	5.8
329.72504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87382	0.3
52.99628	0.3
62.01778	0.3
71.27732	0.5
82.99868	0.3
83.50999	0.3
98.97578	0.7
101.00861	1.5
106.25492	0.3
108.86854	0.3
119.01896	6.3
120.02016	0.4
121.16183	0.3
127.47115	0.3
130.16913	0.3
134.99704	0.7
137.02896	1.5
146.72842	0.4
155.01027	0.3
158.99857	1.0
165.00113	1.0
177.00922	12.4
178.01012	1.2
183.01161	2.5
185.33801	0.3
193.03963	0.4
195.01860	0.4
198.72479	0.3
201.00905	1.2
202.01007	0.4
217.04079	2.7
219.01967	18.6
220.02118	1.9
221.02538	0.3
225.00856	2.1
234.99803	0.3
243.01950	8.9
244.02165	0.9
261.03021	100.0
262.03152	9.2
263.03653	0.4
265.02740	0.7
269.14929	0.3
284.04608	3.3
307.01312	0.6
307.06113	0.5
325.02402	1.6
325.07419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45685	4.0
68.67876	4.1
70.03839	11.6
94.78702	4.0
98.22788	5.8
101.00860	11.9
103.02414	4.4
113.00867	9.6
119.01882	9.9
131.01898	17.1
133.03418	5.7
135.66324	4.1
143.01909	11.3
145.03419	16.1
155.01888	8.7
157.03406	19.0
161.02902	8.1
163.04597	4.1
173.02940	11.8
175.04501	13.6
187.04613	5.3
197.97537	4.1
199.04407	4.8
203.03998	4.8
221.05045	15.3
238.06055	4.6
247.06602	26.9
265.07709	36.3
307.07748	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28482	0.7
52.24408	0.6
53.03944	6.8
55.01866	2.3
57.03434	5.6
59.59092	0.8
60.05641	0.8
61.02908	3.1
67.05486	1.5
67.64154	0.7
69.03419	32.9
70.89571	1.3
71.01313	0.8
71.04980	6.6
72.08143	4.1
73.02909	3.6
79.05461	0.9
81.03404	25.3
81.07034	1.1
83.01345	0.8
85.02890	83.7
87.04465	1.4
89.03907	1.5
91.03902	1.1
93.27979	0.7
97.02880	30.7
99.04440	45.3
100.04784	1.1
101.02364	1.3
103.03925	94.8
104.04252	1.0
104.59720	0.7
109.02866	20.6
111.44772	0.8
114.10262	8.8
115.03952	0.9
115.08658	1.4
115.21565	0.8
117.03359	8.2
127.03895	100.0
128.04234	1.7
131.12907	2.8
134.03542	0.7
145.02827	27.7
145.04929	33.8
149.05972	3.0
163.05968	5.8
177.05438	45.3
187.05992	15.2
205.06996	4.8
226.74678	1.0
247.14468	1.3
248.12767	1.6
271.08072	2.4
280.08292	0.8
290.14911	3.4
307.17569	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	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01870	1.6
55.52262	0.7
56.96551	1.0
57.03427	4.3
58.06593	1.0
61.02938	3.8
69.03422	27.3
70.06589	1.6
71.04985	6.8
71.07092	0.8
73.02914	5.4
74.20936	0.6
78.62761	0.7
81.03410	26.4
83.04971	1.4
84.08126	1.4
85.02896	76.0
87.04441	1.4
91.03957	0.9
97.02884	27.5
97.53100	0.6
98.97566	1.4
99.04445	46.2
101.02319	0.8
103.03931	81.2
104.04300	0.8
105.48943	0.6
109.02873	18.6
111.04416	1.2
114.10268	1.7
115.03940	1.2
117.03351	0.8
117.05447	0.8
127.03899	100.0
128.04236	1.1
130.93170	0.8
136.81676	0.7
145.02910	4.1
145.04939	29.6
146.08020	0.8
153.37663	0.6
155.08884	0.6
157.10799	1.0
163.06004	5.7
177.05463	9.4
187.05994	11.6
205.07013	5.3
216.06503	1.1
229.02644	0.7
271.08118	2.6
290.14923	1.1
307.14175	0.8
307.17545	6.1
308.07687	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33363	0.4
56.05027	2.1
58.06595	5.7
60.93081	0.5
61.01141	0.8
68.04981	0.5
69.03428	1.4
69.07059	1.0
70.06600	0.6
72.08157	0.6
75.02707	0.6
81.03413	1.1
84.04495	28.4
84.08132	100.0
85.02888	5.2
85.08466	1.6
86.06058	8.0
86.09702	6.6
88.03979	4.8
97.02872	1.4
98.98443	0.7
99.04449	1.8
99.09219	0.9
102.96904	0.5
103.03931	3.7
109.02869	1.0
114.12817	0.7
116.98610	0.5
127.03895	4.0
130.08615	1.7
140.03357	0.5
141.13860	8.6
142.03104	0.5
144.10162	1.6
145.04932	1.5
146.05978	4.2
146.61267	0.4
147.89737	0.4
158.05930	0.6
169.13339	10.6
177.05383	0.6
196.02492	0.5
198.11252	1.0
210.90486	0.5
215.13882	48.8
216.14227	1.1
243.17010	46.1
244.09879	0.5
244.17383	1.5
261.16214	0.5
262.11069	2.2
265.04822	1.3
307.16833	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.176
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
54.55965	0.4
55.05480	0.4
58.93649	0.4
60.05640	4.2
60.83257	0.4
69.49294	1.8
72.08141	11.9
89.03899	4.1
89.10799	0.6
97.07655	2.1
98.06042	1.0
98.22711	0.6
103.05437	0.4
106.47765	0.4
114.10268	20.2
115.08678	2.4
117.03356	18.8
128.43195	0.5
129.04413	0.4
131.12901	6.2
134.03635	1.1
135.04369	0.9
145.02820	56.9
146.03148	1.7
149.05949	6.5
151.07469	0.5
157.10844	1.6
162.03026	0.4
163.03786	0.6
177.05434	100.0
178.05742	2.6
247.14407	2.5
248.12740	2.3
265.15335	0.9
290.14917	8.4
307.17581	64.8
308.18011	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	307.1761
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
55.03006	0.3
55.98211	0.3
56.57746	0.3
60.05650	2.4
69.65893	0.6
69.66258	0.6
71.23840	0.3
72.07780	0.6
72.08148	5.7
83.51524	0.3
89.03898	2.8
89.10771	0.6
95.88420	0.3
97.07068	0.4
97.07654	1.7
98.06087	0.8
109.32844	0.3
114.10282	13.6
115.08685	3.5
117.03367	14.4
131.12921	3.2
134.03622	1.1
135.04448	0.4
135.91290	0.4
141.63869	0.3
145.02832	56.3
146.03159	0.9
149.05957	4.5
151.07468	0.3
157.10803	1.1
177.05452	100.0
178.05820	2.7
232.12035	0.4
239.58659	0.3
247.14346	2.8
248.12807	4.6
265.15454	0.9
290.14941	8.1
291.15527	0.3
307.17612	61.3
308.17896	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	307.1899
Annotation	Corrin
Peak:m/z	Relative Intensity
55.01864	12.8
55.05509	44.6
57.03423	26.2
60.21864	10.3
67.05489	50.5
69.07047	16.5
72.08129	16.4
79.05467	40.9
81.03413	13.8
81.07043	37.6
83.08614	17.3
91.05476	42.2
93.07046	39.0
95.04948	40.8
95.08596	16.8
97.10174	29.1
98.98495	10.6
105.07010	42.7
107.04946	39.1
107.08591	33.6
109.06493	17.1
109.10126	9.7
114.10270	22.2
117.03377	23.4
117.06979	13.3
119.08578	21.8
121.06485	29.3
121.10166	13.5
123.08083	10.8
125.09618	31.4
131.08557	12.2
131.12930	11.3
133.10162	13.1
135.08083	19.4
135.11668	9.0
143.08548	19.5
143.61905	8.8
145.02788	51.6
145.10150	13.8
147.11617	10.6
149.06010	12.3
157.10097	13.4
158.87318	8.1
159.08064	40.5
161.09695	9.2
166.12967	13.7
169.10149	10.7
171.11761	10.3
173.09621	8.4
173.13281	12.5
177.05443	100.0
183.11758	13.7
193.10208	9.3
233.15233	20.3
248.51459	8.8
261.03064	18.5
271.16870	22.4
289.17844	68.8
290.14944	9.8
290.21698	9.3
307.08072	12.0
307.17374	45.5
307.20959	10.9
308.09631	12.0
308.16422	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	307.1901
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03936	4.5
55.01853	7.1
55.05502	17.6
57.03416	10.3
57.07058	4.5
57.82766	2.0
59.04981	4.1
61.02927	21.8
65.03925	2.4
65.76555	2.2
67.05496	43.9
69.03417	40.2
69.07068	23.1
69.84920	2.6
70.14394	5.7
71.04993	3.9
72.08110	2.9
73.02908	7.6
78.80165	2.4
79.05473	15.1
81.03409	23.7
81.07045	44.4
83.04977	17.6
83.08591	4.4
83.72151	2.2
85.02883	35.3
85.06533	6.0
85.78510	2.3
87.04460	10.2
91.03938	10.6
91.05473	20.8
93.07029	36.1
95.04948	18.3
95.08595	40.1
97.02882	27.7
97.06519	10.8
97.10130	2.3
99.04440	13.1
101.40477	2.5
101.41230	2.0
103.03928	20.9
105.07006	37.3
107.04922	5.1
107.08582	43.2
109.02855	5.8
109.06485	10.6
109.10139	100.0
109.10885	5.0
111.04419	7.7
111.08073	6.1
113.06005	9.0
114.10271	5.4
115.03914	8.6
115.08691	2.3
117.03344	8.7
117.07008	11.3
119.08572	42.9
121.06497	5.2
121.10141	25.1
123.04409	4.4
123.08038	4.6
123.11663	6.7
125.05988	3.2
125.09615	3.2
127.03873	21.4
129.07018	5.9
131.08557	30.3
131.12881	3.5
133.04953	3.5
133.10094	27.3
135.08023	5.7
135.11639	15.6
137.05902	3.1
137.09651	3.1
141.06946	4.8
142.07762	6.7
143.08548	16.1
144.09300	3.3
145.02834	35.1
145.04909	3.9
145.06438	4.2
145.10071	28.1
147.08022	6.4
147.11652	21.3
149.05972	4.6
149.09608	4.5
149.13278	12.2
155.08553	5.8
157.08986	2.9
157.10109	15.7
158.10918	4.6
159.06618	3.7
159.08006	3.0
159.11670	20.3
161.09604	9.6
161.13217	26.1
163.07437	3.4
163.11162	3.2
163.14842	8.3
165.12741	3.5
169.10130	6.9
171.11665	7.7
173.09552	3.6
173.13235	49.1
175.11099	3.4
175.14790	9.8
177.05438	60.3
177.12772	2.8
179.08475	2.6
179.14156	2.4
183.11641	5.1
185.13232	6.9
187.14737	14.3
189.09114	2.4
189.16377	5.4
191.14197	4.7
197.09602	3.2
197.13261	4.5
199.14738	11.9
201.09108	5.4
203.10710	3.2
211.14703	3.2
215.14354	7.4
217.12320	2.6
217.15836	22.9
219.10097	2.9
221.15279	14.1
229.15846	3.8
231.17311	3.7
237.11157	3.5
241.15866	3.4
243.17532	3.0
251.12578	4.4
252.13501	7.3
253.15868	5.9
259.17004	3.7
261.18567	10.0
271.16895	12.5
289.18164	15.5
289.20966	3.6
289.25006	5.0
290.14996	4.4
307.09668	6.1
307.19141	90.8
307.26224	14.4
308.09872	3.3
308.19177	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	307.2051
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03934	1.8
55.01862	3.3
55.05500	6.5
57.03424	3.9
58.58775	1.6
59.05003	2.7
60.05645	1.4
66.07191	1.6
67.05491	10.0
68.36584	1.4
68.97563	1.4
69.03432	1.7
69.07066	7.1
72.08143	1.8
79.05478	14.8
81.03413	2.0
81.07036	18.8
83.04953	1.8
83.08610	1.7
91.05465	19.7
93.07040	14.5
95.04952	21.9
95.08581	8.7
97.06515	11.5
98.22700	4.8
98.98460	2.0
103.05489	1.6
105.07007	23.9
107.04977	2.0
107.08568	7.9
109.06491	8.0
109.10161	4.8
114.10272	2.7
115.05451	2.0
117.03376	5.2
117.06976	7.7
119.08572	27.9
121.06506	2.9
121.10097	8.5
123.08035	2.8
128.06207	8.4
129.06982	9.9
131.08553	14.4
131.12842	2.0
133.10107	39.6
133.11115	2.0
135.08061	1.9
137.09584	1.6
141.06979	5.3
142.07758	8.9
143.08551	24.5
144.09323	3.2
145.02835	15.5
145.06458	2.5
145.10103	20.4
147.07993	7.3
147.11674	5.9
149.05986	1.9
149.09589	1.9
153.06973	3.1
154.07692	2.8
155.08546	6.7
156.09280	11.2
157.10107	18.0
158.10907	4.2
159.08008	3.4
159.11696	14.2
161.09575	6.4
161.13229	1.9
165.06960	2.9
167.08525	7.6
169.10091	17.7
170.10854	2.3
171.11649	9.5
173.13214	12.2
177.05444	25.1
179.08563	6.5
180.09291	2.7
181.10091	9.7
182.10844	7.4
183.11671	9.5
185.09592	2.5
185.13179	4.2
187.11159	7.2
187.14851	2.5
191.08443	1.7
192.09367	2.4
193.10150	9.9
193.11838	1.8
194.10846	5.6
195.11581	11.2
196.12454	5.3
197.13240	15.3
198.13992	2.1
199.11115	2.3
199.14836	4.8
203.08562	3.5
205.10069	2.4
206.10902	6.6
207.11659	12.1
208.12427	6.1
209.13214	12.8
210.13951	1.9
211.14775	9.2
213.12843	1.6
217.10133	2.7
218.10831	2.4
219.11662	5.8
220.12433	5.0
221.13246	15.3
222.13857	4.4
223.14774	11.5
224.15648	1.9
229.10358	1.8
231.11639	4.5
232.12418	3.5
233.13193	13.2
234.13983	5.1
235.14795	4.9
236.15419	2.2
237.12733	2.4
237.16350	5.8
244.12482	2.7
245.13113	4.5
246.14024	2.8
247.14786	9.3
248.15535	5.7
249.16460	7.0
250.17058	1.8
251.14333	7.3
251.17868	2.7
259.14920	8.7
260.15613	3.1
261.02963	1.8
261.16232	3.0
263.17899	20.9
265.15756	4.1
274.17157	6.8
279.21051	7.6
289.19659	18.8
290.14905	2.0
307.17572	12.7
307.20526	100.0
308.20895	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	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49596	1.5
53.03942	5.1
55.01869	21.8
55.05506	39.2
56.16882	1.9
57.03432	7.6
57.07069	2.3
59.05001	3.0
60.05645	1.7
65.03933	3.5
67.05497	52.2
69.03426	3.9
69.07060	21.9
70.98849	2.0
71.04996	2.8
72.08112	2.3
73.62234	1.7
78.97182	1.7
79.05483	74.9
81.03415	5.4
81.07045	51.3
81.07496	3.7
83.04984	8.2
83.08614	19.1
84.04594	1.7
85.06566	2.9
86.25263	1.6
91.05477	36.9
93.07033	52.0
95.04980	15.2
95.08593	29.2
97.01308	2.1
97.06523	27.9
97.10159	29.6
98.22677	3.5
98.98467	2.5
105.04508	2.3
105.07018	47.2
106.07351	2.0
107.04931	16.3
107.08578	100.0
108.08922	2.0
109.06501	13.7
109.10148	15.0
111.08094	4.5
114.10262	3.2
117.03342	4.2
117.06969	12.7
119.08563	24.8
121.06485	6.3
121.10132	19.2
123.08064	6.7
123.11709	4.7
125.09620	30.4
129.06978	3.4
131.08551	17.4
133.06558	2.3
133.10106	25.2
135.08017	11.2
135.11697	11.1
137.05977	7.2
137.09602	3.8
138.06337	1.9
143.08606	2.6
145.02820	13.6
145.10107	19.6
147.08041	4.5
147.11676	15.4
149.05963	4.4
149.09598	24.4
149.13226	4.0
150.09929	2.0
151.11188	6.2
153.09099	7.6
157.10051	2.6
157.12263	3.4
159.08035	2.0
159.11685	12.3
161.09586	3.6
161.13261	9.4
163.11145	9.9
165.09184	2.2
169.09964	2.2
171.11687	4.1
173.13278	8.0
175.11134	3.0
175.14774	2.2
177.05446	25.8
177.12683	4.0
181.12241	1.9
183.11690	2.7
185.13214	4.4
187.11148	3.2
203.12769	15.5
203.14377	3.9
219.17383	8.9
220.17993	2.0
229.19476	7.1
239.17870	9.0
247.20593	6.9
257.18875	11.2
261.02930	3.2
265.07391	2.6
275.20029	76.1
276.20441	4.1
289.18283	4.1
289.21643	9.7
289.24652	2.4
290.71390	2.1
304.31915	2.0
307.17648	15.2
307.22632	20.6
307.26212	3.4
308.09146	2.0
308.22238	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.0
55.01861	8.5
55.05255	3.2
55.05505	53.5
55.64011	2.2
57.03428	15.1
58.38439	2.5
59.05002	2.7
65.03914	2.9
67.05495	85.8
69.07060	27.0
69.13318	10.1
69.13744	7.6
71.04985	2.7
72.08174	2.8
79.05481	64.6
81.03413	30.1
81.06573	4.0
81.07045	72.9
83.04969	5.6
83.08609	74.3
85.06510	2.9
91.05463	41.2
93.06441	3.5
93.07033	59.1
95.04964	25.9
95.08598	46.2
97.06521	10.8
97.10159	2.9
99.08084	3.3
105.07019	31.0
107.04944	35.9
107.08580	31.8
109.06512	13.0
109.10152	17.7
111.08041	17.9
111.08683	2.0
114.10244	3.2
117.03419	3.9
117.07011	12.5
119.08562	27.8
119.78617	2.4
121.06502	6.1
121.10123	45.4
123.08012	5.6
123.11691	5.6
124.12090	2.2
130.07751	2.8
131.04919	2.5
131.08568	14.6
133.10059	11.5
135.11670	21.2
139.11191	5.7
143.08603	3.4
145.02821	20.5
145.06454	5.7
145.10100	27.7
147.11699	11.5
149.05928	3.3
149.09579	17.8
149.13249	6.6
151.11069	2.5
155.08545	6.6
155.19516	2.4
159.11674	8.5
161.13202	3.8
163.11163	35.3
165.12724	13.1
171.11636	4.7
173.08371	2.6
173.09599	15.1
173.13246	7.7
175.11143	3.4
177.05453	26.9
177.12671	3.2
187.14793	4.1
191.10666	5.8
215.17987	4.4
229.19620	4.6
239.18069	3.6
257.18967	5.2
265.07364	3.4
275.20038	14.9
290.15091	3.0
307.17392	15.7
307.22675	100.0
307.25870	3.6
308.23062	3.8
315.38834	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	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96697	1.9
53.03938	4.3
55.01866	20.3
55.05504	34.4
56.76587	1.9
57.03419	7.4
57.07064	4.8
59.04985	3.4
60.50545	2.1
65.03950	5.1
66.92837	2.0
67.05496	82.9
68.05825	2.8
69.03416	5.2
69.07061	37.6
69.66507	7.4
70.07391	2.1
71.04994	3.1
73.06556	2.5
79.05483	60.7
81.03405	9.6
81.07048	100.0
83.04974	17.1
83.08614	18.1
85.06549	3.8
86.96188	2.1
88.92205	2.2
91.05472	47.4
93.07035	53.7
95.04959	53.0
95.05522	3.8
95.08588	54.6
96.08923	2.2
97.06516	28.7
97.10157	8.3
98.06058	6.6
99.06364	3.1
99.08086	4.9
105.04515	3.8
105.07017	61.0
107.04920	12.2
107.07899	3.7
107.08578	33.3
109.06508	27.9
109.10138	32.1
111.08087	9.1
114.10246	3.7
117.03347	3.7
117.07011	16.3
119.08563	46.1
121.06512	7.7
121.10139	21.8
123.08052	19.8
123.11702	8.5
125.09628	6.1
129.07027	5.9
131.08548	24.3
133.10097	39.5
135.08018	10.7
135.11679	14.1
136.38963	2.0
137.09607	15.6
139.11151	2.6
142.05045	2.0
143.08537	5.8
145.02798	19.1
145.10126	19.2
147.11653	27.5
147.76701	2.4
149.09576	19.4
149.13243	8.9
151.11198	9.2
157.10133	6.7
159.11656	18.8
161.13245	7.7
163.11159	13.3
165.12727	8.6
171.11719	4.5
173.13239	9.8
175.11234	3.4
177.05426	27.5
177.12723	4.7
178.05936	2.0
183.11641	3.8
187.11269	2.1
187.14749	4.0
189.12691	2.5
191.14310	5.5
197.13235	4.1
201.12704	5.5
207.13713	2.4
215.17920	3.2
219.17313	2.3
229.19507	6.0
233.18867	3.0
239.17909	6.1
247.14737	2.7
247.20580	11.4
251.16388	2.5
257.18936	14.4
261.03122	4.4
265.07443	5.1
275.20035	95.7
276.20410	4.3
279.23099	2.5
289.21600	10.1
307.17599	17.1
307.22720	41.2
307.28180	43.4
309.03061	2.2
318.01593	2.1
319.82864	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	307.2263
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03920	3.9
53.11712	1.1
55.01855	6.0
55.05505	19.7
57.03427	30.7
57.07056	5.2
61.34133	1.4
65.03925	3.9
67.05494	88.9
69.03397	1.5
69.07056	16.5
70.53223	2.8
71.04958	1.5
71.08610	1.7
73.02896	2.2
77.05087	1.1
79.05479	59.8
81.03391	3.4
81.07043	90.3
83.04971	3.3
83.08614	8.2
85.06539	6.5
91.05460	32.5
93.07028	63.1
94.07379	2.0
95.04957	7.7
95.08591	66.6
96.08929	1.7
97.06471	3.4
97.10145	2.9
99.08063	3.6
103.03944	2.4
105.04465	3.1
105.07018	23.3
107.04918	1.5
107.08569	37.2
109.06498	4.6
109.10135	30.8
111.08024	1.9
117.07016	11.0
119.08562	18.2
121.06533	1.4
121.10121	34.2
122.10411	1.4
123.08050	3.5
123.11680	12.6
129.05447	17.8
131.08545	20.8
133.10110	18.8
135.08043	2.6
135.11674	29.3
137.09589	3.4
137.13287	3.0
145.02859	2.8
145.10094	18.8
147.11676	13.2
149.09616	5.2
149.13242	17.8
151.11179	3.0
152.13371	1.3
155.06966	4.3
157.10054	1.7
159.11665	22.0
161.13184	4.4
163.11160	3.3
163.14822	2.4
165.09248	1.5
173.13216	11.9
177.05417	3.8
177.12709	1.9
187.14767	3.6
189.16393	7.9
191.17892	7.1
205.19588	3.9
215.17920	43.8
216.18199	1.9
217.19516	3.5
233.18932	15.8
247.20503	1.4
251.20102	2.4
275.20032	9.6
289.21606	3.2
307.22614	100.0
308.22964	6.0
328.18484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03933	3.0
55.01856	6.1
55.05504	27.1
57.03433	20.0
57.07057	4.1
59.04978	2.0
65.03923	3.4
67.05498	85.9
69.07060	29.8
70.68591	3.4
71.04952	2.4
76.66811	1.8
77.03915	2.7
79.05487	53.9
79.90910	1.9
81.03431	1.9
81.07047	82.4
83.04957	6.7
83.08604	10.9
85.06527	2.9
91.05474	40.6
93.07034	64.2
95.04963	18.2
95.08594	58.5
97.06497	7.1
97.10142	4.5
105.07013	32.5
107.04922	7.0
107.08582	32.0
109.06522	12.8
109.10146	30.4
111.08086	3.6
114.10302	2.7
117.03352	2.8
117.07024	9.6
119.08561	24.2
121.05701	1.8
121.06438	10.7
121.10124	27.2
123.08034	6.1
123.11697	8.0
129.05463	2.4
129.07004	3.6
131.08556	21.4
133.06483	3.5
133.10126	23.1
135.08000	4.3
135.11674	13.0
137.09586	5.0
137.13194	3.4
143.08572	2.7
145.02840	9.1
145.10104	16.5
147.08052	4.6
147.11697	13.4
149.09583	5.3
149.13257	8.0
151.11159	7.9
157.10104	3.4
159.07979	2.1
159.11647	9.1
161.13242	4.3
163.11137	7.6
165.12679	2.5
171.11653	3.3
173.09526	3.6
173.13254	10.5
177.05408	15.4
177.12668	4.3
183.11647	3.4
185.13290	2.8
187.11258	1.9
187.14742	2.8
191.14326	3.9
199.67757	1.7
201.12682	4.4
207.13759	3.4
215.14388	2.1
215.17874	9.3
219.13786	6.8
222.38031	2.5
233.15164	2.3
233.19058	3.6
239.17993	2.5
247.20508	5.2
257.18964	12.5
265.07269	2.4
275.20026	97.3
276.20422	4.8
289.21671	3.3
290.15109	2.0
307.17529	9.9
307.22623	100.0
308.22977	5.7
308.29297	3.4
324.47018	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
50.76038	0.6
53.01266	0.7
53.03948	3.4
55.01867	6.6
55.05503	15.7
57.03429	6.4
57.07059	1.5
58.04362	0.6
65.03932	2.9
66.68391	0.6
67.05496	37.9
69.03435	0.9
69.07063	13.2
69.70136	2.3
71.04985	2.9
72.08138	1.0
77.03922	1.1
79.05483	42.1
81.03389	5.1
81.07046	100.0
82.07390	2.2
83.04961	4.1
83.08610	10.6
85.06528	2.5
91.05030	0.5
91.05471	23.0
93.07030	27.1
95.04955	14.8
95.08596	22.7
97.06514	6.5
97.10165	1.7
99.08089	2.7
105.04513	1.2
105.07021	19.4
107.04932	6.0
107.08581	15.3
107.09253	1.3
109.06506	45.5
109.10138	10.2
111.08063	3.7
114.10292	2.0
115.05457	0.8
117.03339	1.3
117.06998	6.0
119.08566	13.1
121.06513	3.6
121.10129	13.8
123.08043	7.8
123.11709	3.5
125.09608	1.7
129.06972	2.3
131.08556	8.1
133.06425	0.8
133.10118	13.0
135.08032	2.9
135.11681	7.8
137.05927	0.8
137.09596	3.0
141.06973	0.9
143.08549	1.1
145.02824	4.4
145.06418	1.0
145.10101	9.2
147.08061	1.3
147.11665	13.8
149.05962	1.0
149.09573	5.2
149.13228	5.8
151.07471	0.8
151.11162	3.1
155.08507	0.8
157.10133	2.5
159.11688	5.8
161.09581	1.2
161.13252	2.8
163.11154	6.9
163.14819	2.1
165.12743	4.3
171.11685	2.1
173.09560	1.5
173.13211	3.4
175.11156	2.6
175.14920	1.1
177.05432	7.6
177.12726	2.5
179.14336	0.8
183.11574	0.8
185.14734	0.6
187.14789	1.3
189.12735	1.1
191.14258	1.1
193.12271	2.7
197.13232	0.8
197.15419	0.9
201.12776	1.8
205.16032	0.7
207.13786	1.5
215.17934	2.5
224.36964	0.7
229.19519	2.8
233.18948	1.2
239.17908	2.2
247.20541	4.6
257.18979	5.8
261.03125	1.1
275.20023	44.2
276.20410	2.0
289.21243	0.8
307.17264	3.8
307.22653	27.8
307.30829	0.8
308.22980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03930	3.3
55.01861	2.5
55.05502	27.8
57.03428	30.8
57.07053	2.8
59.04992	1.1
65.03930	5.1
67.05493	100.0
69.06699	1.5
69.07057	18.0
69.55270	2.3
69.55679	3.1
71.04967	2.9
72.08147	1.5
77.03914	1.2
79.05481	70.6
81.07042	74.8
82.07370	1.3
83.04971	3.3
83.08624	9.5
85.06532	2.9
91.05466	34.1
91.36148	1.2
93.07028	67.6
94.07389	1.5
95.04957	9.9
95.08590	57.4
97.06515	4.2
97.10168	2.1
99.08061	5.1
105.04498	4.1
105.07011	17.8
107.04932	1.1
107.08575	19.8
109.06497	3.6
109.10133	22.8
111.08045	1.4
114.10275	3.4
117.03348	2.6
117.07001	7.2
119.08551	11.7
119.17432	0.9
121.06509	1.5
121.10120	30.0
122.10363	1.3
123.08045	2.3
123.11674	9.3
125.09635	2.4
131.08543	9.4
133.10104	10.2
135.08099	1.8
135.11676	9.8
137.09657	1.7
139.11217	1.5
145.02832	8.6
145.10110	6.2
147.11665	4.0
149.05974	1.2
149.09659	2.0
149.13260	5.7
151.11172	1.6
159.11661	5.7
161.13147	1.7
163.11230	1.5
165.12650	1.2
172.36246	1.0
173.13249	3.5
177.05463	16.0
189.16287	1.5
215.17882	6.1
233.18918	2.2
307.17566	8.9
307.22653	85.0
308.22949	4.3
308.29449	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	307.2263
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03933	3.5
55.01853	3.3
55.05505	18.1
57.07069	1.9
59.04974	3.2
67.05487	30.7
69.03391	2.7
69.07056	10.9
71.04984	11.1
72.08086	1.6
72.13657	1.7
73.06537	2.7
78.50793	1.5
79.05480	25.6
81.03409	1.8
81.07040	31.8
83.04954	2.8
83.08610	7.1
85.06498	4.1
91.05462	41.1
92.83910	1.5
93.07032	30.3
95.04955	7.7
95.08594	18.8
97.06516	11.0
97.10152	3.0
103.05400	1.6
105.06339	2.7
105.07009	39.7
107.04920	3.1
107.08565	19.1
109.06505	19.3
109.10136	11.0
110.07275	2.0
111.08057	3.6
114.10260	2.7
115.05379	1.8
117.03391	5.4
117.06975	8.2
119.08558	30.4
121.06478	7.8
121.10120	12.3
122.07268	1.8
123.08046	14.5
123.11684	3.0
125.09578	3.4
129.06970	2.4
131.08537	11.9
133.06508	2.0
133.10109	21.9
135.07990	7.8
135.11681	4.0
136.55862	1.5
137.09554	11.9
141.06940	1.7
143.08539	2.7
145.02789	12.9
145.06453	1.5
145.10097	12.0
147.08058	3.1
147.11642	16.9
149.06009	2.8
149.09595	6.7
151.11151	18.3
151.73074	1.6
154.84328	1.5
155.08511	2.9
157.10170	2.3
159.07994	1.6
159.11612	8.6
161.09633	2.5
161.13203	4.5
163.07458	2.2
163.11165	6.8
165.12743	9.8
169.10088	2.9
171.11656	2.8
173.13234	7.0
177.05437	17.2
177.12675	4.6
179.14246	4.4
183.11674	1.7
187.14745	3.0
191.14249	2.7
197.13190	3.7
211.14650	2.2
213.16376	3.1
215.17950	1.4
229.19482	4.9
239.12614	2.2
239.17853	8.2
242.26512	1.5
247.20493	4.4
257.18854	9.0
265.17813	1.5
275.20007	50.9
276.20343	2.3
280.09497	1.4
289.17923	5.4
290.14523	1.3
307.17993	12.9
307.22592	100.0
308.22968	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	307.2264
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	3.9
55.01879	6.8
55.05506	25.6
57.03442	7.7
57.07060	3.9
59.04979	4.0
65.03936	3.1
67.05497	58.6
67.05864	3.0
69.03417	4.8
69.07060	17.8
69.69511	5.5
71.01324	1.9
71.04985	25.7
72.08126	1.9
73.06549	2.8
77.03928	2.3
79.05486	43.7
81.03392	3.4
81.07048	65.1
82.07346	1.4
83.04957	4.1
83.08617	10.9
85.06526	4.3
91.05474	33.8
93.07038	39.3
95.04959	17.1
95.08012	2.5
95.08597	37.2
96.08918	2.0
97.06514	12.6
97.10149	4.9
98.06046	2.4
98.23380	2.2
99.04453	2.1
99.08064	7.5
103.05528	1.4
105.04495	3.1
105.07017	29.1
107.04956	8.1
107.08588	27.7
109.06507	34.1
109.10148	15.7
111.04430	100.0
111.08067	7.3
113.09653	2.7
114.10306	3.1
117.03354	5.0
117.07016	9.4
119.08567	25.8
121.06489	9.5
121.10131	16.9
123.08050	12.2
123.11655	6.6
123.99776	1.3
125.05968	7.3
125.09619	9.7
127.11151	1.6
129.06979	4.9
131.08551	12.9
133.06548	2.5
133.10106	20.2
135.08038	5.3
135.11673	10.8
137.05977	1.9
137.09628	11.4
139.11142	3.3
143.08603	3.6
145.02826	14.7
145.10103	14.5
147.08008	1.8
147.11661	12.4
149.09590	9.3
149.13245	4.8
151.11171	7.2
153.09152	1.4
155.08574	1.5
156.09227	1.5
157.10085	3.0
159.11679	8.3
161.09642	4.0
161.13300	4.3
163.11127	4.8
165.08974	1.9
165.12743	8.4
167.10655	2.1
171.11642	6.6
173.13274	5.8
175.11087	2.3
177.05441	26.2
183.11751	1.7
187.11205	2.0
189.12779	1.8
191.14365	2.2
201.12766	2.4
203.12775	2.5
213.16502	1.5
215.17915	2.8
219.17462	1.7
223.16907	1.6
229.19434	1.8
233.15366	2.4
239.17957	2.7
247.20619	4.1
249.18340	1.8
251.16486	4.9
257.18948	5.8
261.03174	2.6
265.07428	2.0
275.20016	37.1
279.23132	2.4
289.18546	2.5
289.21451	9.8
290.15009	1.6
307.17419	14.7
307.22662	97.8
307.27896	13.9
308.23044	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	307.2627
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03926	1.8
55.01852	3.0
55.05261	1.5
55.05506	20.7
57.03421	1.5
57.07071	6.6
59.04978	2.8
64.48217	1.0
65.03933	1.2
67.05163	1.8
67.05496	26.2
69.03415	4.8
69.07057	57.4
69.13189	5.6
70.06575	2.0
71.04971	2.5
71.08613	2.4
79.05473	13.2
81.03394	1.9
81.07047	57.0
82.07365	1.6
83.04969	3.0
83.08610	14.8
85.02889	1.8
85.06538	9.8
88.07618	1.5
91.05466	9.0
93.07035	24.6
95.04948	8.5
95.08591	46.4
96.01208	1.0
96.08929	1.0
97.02867	1.8
97.06528	9.8
97.10129	6.7
99.04414	0.9
99.08064	3.5
103.03945	1.1
105.04462	1.1
105.07011	13.4
106.07336	1.1
107.07466	1.1
107.08581	29.6
109.06508	10.6
109.10139	41.0
110.10509	1.2
111.08072	8.7
111.11707	7.8
113.09672	1.0
114.10314	1.1
117.03387	1.5
117.06997	2.0
119.08555	13.9
121.06488	3.1
121.10121	17.8
123.04417	1.3
123.08067	5.8
123.11688	23.3
125.09598	3.7
127.03892	1.1
127.11193	3.0
131.08540	4.2
133.10115	9.3
135.08023	3.2
135.11670	13.9
137.09566	4.7
137.13237	7.3
139.11147	6.6
145.02782	5.2
145.10126	5.7
147.08138	1.0
147.11653	9.0
149.09570	2.1
149.13237	8.3
151.11128	5.2
151.14821	2.1
153.12738	2.2
159.11688	7.2
161.13239	8.9
161.45380	1.0
163.11154	5.1
163.14803	6.5
165.12747	12.4
165.14890	0.9
165.86154	0.9
167.14296	1.3
173.13234	5.0
175.14815	3.1
177.05402	8.5
177.12738	4.3
177.16382	3.3
178.07805	1.0
179.14282	9.4
187.14812	4.0
189.16409	2.5
191.17961	2.0
193.15862	1.3
201.16393	2.9
201.20383	1.2
203.03215	0.9
205.15804	1.5
207.17415	1.3
215.17975	2.9
219.17441	2.5
222.07269	0.8
231.21025	0.9
237.18465	2.4
245.22916	3.6
251.19955	1.5
265.07434	1.9
271.24185	3.9
289.10596	3.5
289.17972	1.5
289.25214	15.0
307.09335	2.1
307.17722	3.8
307.26300	100.0
308.09338	2.0
308.12665	2.0
308.16272	1.3
308.26419	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.60465	0.5
53.03927	0.9
55.01864	1.1
55.05501	14.8
57.03423	2.3
57.07069	3.2
58.75187	0.6
59.04989	1.5
65.03925	0.7
67.05494	21.8
69.03408	2.1
69.07058	51.6
71.04985	3.3
71.08627	1.2
73.06554	0.9
77.03888	0.6
79.05487	6.4
81.07045	32.2
82.07328	0.7
83.04953	2.1
83.08607	10.0
85.06538	4.6
91.05463	3.3
93.07031	12.6
95.04941	3.4
95.08593	19.6
95.09204	1.0
97.06522	3.9
97.10150	3.3
99.04448	0.8
99.08104	3.1
105.07030	9.7
107.08586	13.9
109.06500	4.9
109.10138	43.6
110.10457	1.2
111.08074	2.0
111.11691	7.6
113.09593	1.2
114.10281	1.5
116.33056	0.6
117.03331	1.2
117.06982	1.2
119.08564	10.1
121.06471	3.1
121.10128	11.0
123.08079	4.6
123.11696	7.9
125.09571	1.8
127.11185	3.1
131.08565	1.5
133.10098	5.9
135.08061	2.0
135.11661	5.2
136.08778	1.0
137.09610	5.5
137.13225	2.8
139.11162	6.4
139.53220	0.7
145.02832	3.7
145.10086	2.9
147.11685	3.8
149.05943	0.9
149.13248	4.0
151.11159	2.5
151.14775	1.9
153.12764	0.7
155.10655	3.7
159.11559	3.6
161.09608	0.7
161.13234	9.8
163.11134	4.0
163.14803	2.8
165.12724	3.0
173.13243	2.2
175.14812	2.1
177.05461	5.7
177.12700	5.0
177.16325	0.8
178.13469	2.6
179.14282	21.7
184.48100	0.7
187.14825	1.1
189.16350	1.7
191.17909	1.3
201.16351	1.0
205.15878	1.5
215.17911	0.9
217.19559	0.9
219.17458	0.9
233.18974	1.2
260.01239	0.7
264.57803	0.6
265.07352	1.0
271.24289	1.3
275.19919	0.9
289.17920	1.5
289.25208	7.3
290.14700	1.2
307.18088	4.9
307.26254	100.0
308.09317	0.7
308.26630	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	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
55.01854	0.5
55.05501	2.1
57.03426	0.8
57.07064	0.8
57.33656	0.3
58.02950	0.4
59.87689	0.3
60.18297	0.3
65.03941	0.4
66.04716	0.4
67.05492	2.6
69.07054	2.6
71.04972	0.6
71.08611	3.0
79.05479	2.6
81.07043	5.1
83.08601	0.9
85.10166	0.4
91.05469	2.0
93.07029	2.8
94.04178	2.0
95.04943	1.4
95.08605	3.4
97.06523	0.8
97.10161	0.9
97.94023	0.3
99.08085	1.6
105.07029	1.3
107.04931	2.8
107.08588	2.3
109.06481	3.0
109.10135	1.8
117.07032	0.5
119.08548	1.1
121.10142	1.2
122.03628	7.8
123.08050	0.4
125.09619	0.6
131.08517	0.6
133.10110	0.5
135.08028	1.4
135.11661	0.7
137.05954	100.0
137.13197	0.5
138.06271	2.0
145.02769	0.4
145.10104	0.7
147.08044	0.4
149.13193	0.5
151.11200	0.4
153.12698	0.4
157.10081	0.4
161.13228	0.3
165.12715	3.1
172.16933	1.8
175.14830	0.8
177.05499	0.5
178.05844	0.7
184.16925	2.2
189.11224	0.4
193.15811	0.9
210.18591	0.4
235.16803	0.8
236.07056	0.5
236.12158	0.3
237.07756	0.5
265.07236	1.1
273.18353	0.8
273.21942	0.3
280.09763	0.5
291.19595	0.8
291.23102	12.7
292.23358	0.6
295.36191	0.3
308.09006	0.8
308.18106	0.4
308.22595	1.0
308.25827	4.4
309.24109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.79092	2.2
53.03933	4.2
54.92638	2.2
55.01865	83.0
55.05509	33.2
57.03423	9.8
58.06598	6.0
62.56889	2.9
64.35181	2.4
65.03928	3.0
67.05496	81.3
69.03418	3.6
69.07061	30.2
71.04975	10.4
79.05479	36.9
81.03403	20.0
81.07047	40.6
83.04965	37.7
83.08612	13.3
85.06548	3.6
91.05464	31.1
93.07035	38.1
95.04948	47.7
95.08588	25.8
97.06509	48.2
97.10152	17.4
99.04454	22.5
99.08089	3.6
105.07008	16.1
106.33645	2.8
107.04927	20.9
107.08581	24.5
109.06508	12.2
109.10139	36.4
111.04423	100.0
111.08080	6.9
117.07016	12.5
119.08555	17.7
121.06499	5.6
121.10125	11.8
123.08020	6.8
123.11686	2.7
125.09615	15.6
129.06972	5.9
131.08533	7.6
133.06488	4.2
133.10120	17.3
135.08043	11.8
135.11641	4.1
137.09581	29.2
139.11131	4.8
143.08534	3.5
145.10089	10.0
147.08022	6.0
147.11745	5.7
149.09538	12.7
149.13185	3.3
151.11078	3.4
153.09096	25.7
155.10660	4.6
157.10091	7.4
159.11714	5.5
161.09586	10.8
163.11156	7.4
165.09123	3.5
171.11636	5.1
171.94650	2.4
173.11752	17.2
173.13107	3.9
175.11163	8.9
177.12711	4.2
179.10716	6.0
185.13252	4.5
189.11159	5.3
193.12317	5.6
199.14752	4.2
203.14336	2.7
215.72249	2.4
221.15295	6.1
227.17873	3.7
231.13728	4.7
245.19067	7.3
249.14795	13.2
255.17429	4.5
263.20053	24.4
264.20380	2.6
267.15866	9.8
273.18521	29.1
291.19476	87.0
292.20016	4.5
309.20566	74.6
329.44254	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	309.2057
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01869	18.3
55.05503	28.5
57.03426	4.2
57.25082	3.1
61.57585	3.5
67.05496	36.8
69.03410	4.2
69.07050	11.3
70.30701	4.1
71.05001	5.7
77.89339	3.8
79.05477	44.5
81.03402	4.5
81.07042	72.7
83.04971	22.8
83.08614	13.4
85.02887	9.8
91.05449	16.9
93.07034	27.1
95.04961	14.3
95.08599	11.7
97.06516	6.7
97.10143	10.4
99.04465	6.1
99.08071	3.8
105.07024	16.2
107.04922	5.2
107.08566	16.1
109.06500	12.2
109.10143	13.0
111.04424	46.6
111.08076	11.0
117.06989	11.6
119.08552	34.6
121.06462	8.0
121.10129	17.2
123.08066	10.4
125.09585	11.1
129.06984	5.0
131.08536	12.6
133.10121	3.8
135.07996	7.7
135.11682	9.7
143.08572	6.2
145.10097	22.0
147.08043	15.8
149.09598	6.5
153.12732	10.2
161.09669	3.4
163.11154	26.3
171.11723	5.6
173.09637	4.8
181.12163	21.0
189.11241	8.6
191.10681	14.7
209.11787	3.7
219.46060	3.2
223.13310	5.3
227.12718	9.6
245.09436	3.4
249.14902	8.0
255.17447	4.4
273.18466	30.9
291.19513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03926	3.5
55.01860	15.7
55.05507	24.9
57.03435	5.7
57.07052	3.1
58.06598	8.8
59.04986	2.7
61.78673	2.8
62.11057	2.7
62.18123	2.7
65.03943	3.2
67.05498	35.3
69.03429	5.1
69.07062	12.2
71.04984	6.0
71.44199	3.4
72.42185	2.8
76.76964	2.9
79.05480	41.3
81.03427	9.5
81.04226	3.3
81.07041	82.7
83.04970	28.9
83.08607	11.0
84.52068	2.8
85.02908	6.5
85.06535	3.2
91.05458	23.8
93.07030	32.1
95.04951	15.3
95.08606	17.3
97.06503	7.1
97.10178	10.7
99.04463	4.6
105.07028	14.0
107.04950	10.4
107.08577	18.7
109.06506	20.1
109.10136	11.6
111.04420	43.9
111.08057	16.8
117.07017	12.9
119.08554	28.9
121.06479	10.3
121.10107	14.5
121.63786	4.4
123.08042	11.5
125.09586	7.4
128.54657	2.9
129.06972	5.5
131.08545	15.7
133.10124	4.7
135.08070	7.9
135.11690	10.0
143.08524	4.8
145.10139	19.5
147.08025	14.8
149.09630	6.5
153.12737	11.6
157.10139	7.7
161.09610	4.2
163.11104	20.8
165.09024	4.3
173.09450	3.7
181.12204	17.5
185.13266	3.1
189.11235	3.8
191.10683	16.0
209.11639	3.7
223.13222	6.5
227.12747	11.4
249.14995	6.8
255.17403	6.3
263.94315	3.2
266.07785	3.7
273.18512	27.1
291.19498	100.0
291.22614	6.1
292.19952	3.8
309.20569	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	6.5
55.01863	20.4
55.05503	36.1
56.22308	1.9
57.03415	4.6
57.07045	2.7
58.06588	5.8
65.03919	3.4
67.05499	82.9
67.05862	3.9
68.59907	2.0
69.03417	6.5
69.07064	26.1
69.31335	9.3
71.04985	10.4
71.08617	2.2
73.41164	2.1
77.03896	2.8
79.05490	46.6
81.03395	5.4
81.07047	100.0
83.01324	3.1
83.04966	16.2
83.08604	11.8
85.02911	2.0
85.06525	8.5
91.05473	52.3
93.07041	52.2
94.10088	2.4
95.04971	13.5
95.08591	33.5
97.06538	9.7
97.10157	4.5
97.15024	1.9
98.23476	3.0
99.04446	6.4
99.08070	5.9
105.07017	45.0
107.04948	11.3
107.08582	51.8
109.06512	14.1
109.10149	87.8
111.04451	5.5
111.08064	10.6
111.09300	2.0
113.05991	2.4
117.06996	10.4
118.31525	2.0
119.08559	16.8
121.06522	9.9
121.10127	11.4
123.04431	3.0
123.08047	7.5
123.11708	8.9
125.09605	6.8
125.54807	2.1
127.07630	2.6
129.06990	5.2
131.08560	14.4
133.06509	5.0
133.10117	94.7
134.10414	3.5
135.08031	7.5
135.11624	10.3
137.05994	3.6
137.09633	4.8
139.07524	6.2
142.07751	2.2
143.08519	4.9
145.10110	8.8
147.08040	8.9
147.11703	9.3
149.09583	8.8
149.13271	2.5
151.10033	4.1
151.11176	63.4
151.81247	2.0
153.12668	2.1
155.08617	2.9
157.10114	5.8
159.11700	4.6
161.09633	10.1
161.13229	4.1
163.11137	3.3
169.12201	15.2
171.10352	2.2
171.11710	7.0
173.13217	2.7
175.11215	5.8
177.09109	3.3
179.10608	4.7
181.12347	2.4
199.11172	2.8
207.13847	2.4
215.12846	3.8
227.18111	3.2
233.09663	2.1
245.19008	14.0
255.17503	3.9
263.20047	6.1
266.07822	3.5
267.08829	3.5
273.18420	25.6
277.21521	3.8
291.19495	54.1
292.19589	3.2
309.20560	17.2
310.10724	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.81177	1.7
53.03939	4.0
55.01868	26.3
55.05253	4.3
55.05504	45.7
57.03422	8.0
65.03937	4.9
67.05498	95.0
69.03421	7.2
69.06713	2.7
69.07063	29.1
69.79129	7.1
71.04990	12.8
77.03941	2.0
78.99537	1.9
79.05481	57.8
81.03397	5.2
81.07047	100.0
82.07376	2.6
83.01322	3.9
83.04979	13.0
83.08609	16.2
85.06536	8.8
91.05470	61.5
93.07035	64.6
94.07422	2.1
95.04964	17.5
95.08595	51.0
97.02836	2.2
97.06499	11.3
97.10137	5.9
97.68624	1.9
98.23394	2.3
99.04440	7.9
103.05510	2.1
105.04504	2.6
105.07017	52.2
107.04937	12.2
107.08580	47.2
109.02814	2.2
109.06502	17.0
109.10149	74.0
110.28370	2.3
111.04417	8.0
111.08080	12.5
113.06017	2.9
117.07008	10.0
119.08569	23.6
121.06478	16.6
121.10128	14.4
123.04417	6.2
123.08068	8.0
123.11695	11.6
125.05975	5.5
125.09604	3.2
127.07542	4.1
128.06175	3.3
129.06995	8.4
131.08577	17.0
133.06474	11.3
133.10106	87.4
134.10471	3.4
135.08049	9.6
135.11690	13.4
137.05914	3.2
137.09590	8.0
139.07521	8.9
143.08551	7.6
145.06404	3.2
145.10147	12.7
147.08015	8.1
147.11678	8.4
149.09625	9.6
151.07484	2.0
151.11153	44.2
153.09085	2.4
153.12665	2.3
155.08492	2.5
157.10107	7.4
159.08081	3.0
159.11661	4.6
161.09601	16.5
161.13240	5.1
163.11151	5.8
167.10663	3.9
169.12227	7.7
171.11629	7.3
172.12032	2.0
173.09480	3.3
173.13266	2.1
175.11174	8.1
177.12669	3.1
179.10672	5.3
181.08589	6.3
181.12172	2.3
185.13185	3.3
187.11151	3.1
189.12747	6.2
191.14389	2.6
199.11116	3.1
201.12805	2.3
203.14304	4.0
211.14734	2.8
215.12730	2.4
217.12231	3.0
227.17986	4.1
245.18936	16.0
255.17400	4.3
263.20087	15.2
273.18448	34.9
291.19492	76.4
292.19751	2.6
309.20569	22.1
309.24063	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01865	29.6
55.05251	5.1
55.05505	55.2
57.03431	9.2
57.07078	3.7
58.06589	12.9
59.05007	4.2
65.03911	4.1
67.05499	58.6
69.03426	7.4
69.07062	31.5
69.60728	10.8
71.04982	9.3
79.05481	50.5
81.03409	18.3
81.07045	100.0
83.04963	23.3
83.08618	26.8
85.02878	5.1
85.06528	6.0
91.05463	33.3
93.07030	43.9
95.04957	28.5
95.08609	31.4
97.06516	20.1
97.10155	42.7
99.04440	5.0
99.08080	8.7
105.07027	22.8
107.04929	9.8
107.08581	34.6
108.92243	3.1
109.06501	9.5
109.10130	21.3
111.04424	32.6
111.08083	14.7
117.07011	10.6
119.08567	25.1
121.06525	5.8
121.10127	15.5
123.08063	39.8
125.09618	37.2
129.06990	5.3
131.08510	17.1
133.10143	17.5
134.10957	3.4
135.08034	8.8
135.11664	8.9
137.09572	17.8
143.08562	5.9
145.10117	15.4
147.08029	9.9
147.11682	8.8
149.09636	8.0
149.13295	4.3
153.09091	8.5
153.12766	3.1
157.10095	4.1
159.11705	3.5
161.09573	6.5
161.13252	3.6
163.11150	29.2
165.09087	14.2
173.11763	4.4
173.13165	3.6
175.11150	5.7
177.12769	3.4
181.12239	7.3
189.11163	29.2
191.10638	5.8
193.12198	15.0
199.14836	4.6
211.13312	4.1
217.15762	3.4
223.13194	7.3
247.07591	7.5
249.14767	5.0
255.17412	3.9
262.09912	9.1
263.20108	4.9
266.07892	3.8
273.18396	26.9
278.11938	3.7
291.19498	81.7
292.19873	6.5
293.11627	7.7
294.11218	6.5
295.09540	6.0
309.09979	4.6
309.13531	10.7
309.20563	23.5
309.23975	6.1
310.11237	3.9
310.14285	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.65834	2.6
53.03931	6.5
55.01861	12.9
55.05505	50.8
56.51905	3.3
57.03432	25.6
57.07059	5.9
58.06595	20.9
59.04976	2.7
59.09272	2.9
64.36069	3.2
65.03930	3.0
67.05152	4.9
67.05496	80.9
69.03426	4.3
69.07054	29.4
69.07671	2.7
69.10178	2.5
70.07383	3.8
71.04980	23.6
71.71297	2.9
79.05482	87.4
81.03381	4.0
81.07049	99.3
83.04963	13.6
83.08607	31.3
83.62424	3.0
85.02910	5.3
85.06535	22.1
88.99448	2.9
91.05471	54.3
92.05791	3.9
93.06441	5.4
93.07031	100.0
93.39273	3.1
95.04942	14.3
95.08596	77.0
97.06507	13.6
97.10158	11.1
98.23415	8.6
99.08085	57.5
105.06998	42.1
107.04929	11.5
107.08578	68.3
109.06495	15.4
109.10143	34.9
111.04417	6.4
111.08054	11.4
111.11726	3.3
117.06996	17.1
119.08564	47.0
121.06499	5.1
121.10135	62.1
123.08060	28.6
123.11660	9.0
125.09608	10.9
127.07535	28.3
129.06963	9.1
131.08505	24.9
133.06479	3.2
133.10109	36.3
135.08046	9.1
135.11679	36.4
137.09598	6.5
137.13187	4.6
139.11128	4.0
143.08499	6.5
145.06435	4.4
145.10103	27.2
147.08044	5.2
147.11694	23.4
149.09581	11.1
149.13219	14.2
151.11136	4.7
153.09123	6.0
157.10091	12.1
159.11690	18.5
161.09578	4.6
161.13263	12.0
163.11182	9.4
165.09271	3.7
165.12788	6.3
171.11671	10.6
173.09718	5.1
173.13232	15.1
175.11198	7.6
175.14789	4.7
177.12772	8.6
181.12125	6.5
185.13187	8.2
189.11195	5.9
189.12704	6.6
191.10576	4.0
191.14233	5.0
193.12270	3.9
199.14723	4.4
203.14308	4.6
203.17941	3.6
210.89398	3.3
213.12590	3.2
217.15924	3.6
217.19473	4.6
221.15373	11.8
227.17900	10.0
245.19040	12.2
255.17435	7.3
263.20029	93.9
264.20016	5.0
266.07925	3.9
273.18423	34.3
277.21512	10.0
287.99722	3.0
291.19501	44.0
294.07480	3.9
295.09415	5.7
309.20547	19.7
309.24069	12.4
310.11264	5.8
334.11920	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03934	4.9
55.01873	9.8
55.05251	3.7
55.05503	51.7
57.03420	5.8
57.07071	9.2
58.06588	8.3
65.03921	1.9
66.47050	1.6
67.05495	45.6
69.03410	4.7
69.07062	22.7
69.74620	6.6
71.04977	5.5
71.08622	2.7
74.90412	1.7
75.50688	1.9
79.05480	44.6
81.03411	6.3
81.07047	50.0
82.07346	3.1
83.04963	13.6
83.08614	38.8
83.20895	1.9
85.06522	3.4
85.10155	2.3
91.05450	22.8
92.53084	2.0
93.07030	50.8
95.04952	26.0
95.08589	47.1
97.06515	8.8
97.10163	14.1
99.04420	3.6
99.08076	4.5
105.07020	23.6
107.04943	8.2
107.08576	27.6
109.06485	7.4
109.10149	14.5
111.04417	7.0
111.08069	5.4
115.05452	2.1
117.06989	9.4
119.08536	18.1
121.06472	7.6
121.10131	17.0
121.36310	2.1
123.08031	14.2
123.11665	4.7
125.05917	2.7
125.09611	10.6
129.06981	4.7
131.08569	6.2
133.10101	11.9
135.08049	4.2
135.11681	31.1
137.09628	6.1
143.08527	3.8
145.10103	18.3
147.08031	4.0
147.11670	10.7
149.13254	4.0
151.11156	3.8
153.09145	2.3
153.12741	3.6
157.10104	6.5
159.11630	3.6
161.13245	5.6
163.11157	42.2
163.12447	3.8
165.09148	2.9
165.12813	4.3
169.10188	3.1
171.11641	2.8
173.13264	2.4
175.11168	4.8
175.14877	3.1
181.12228	10.0
185.13269	2.4
189.11203	4.7
191.10503	2.5
193.12242	4.8
194.80232	1.9
207.13808	3.8
211.13338	3.2
221.15306	2.3
227.12732	100.0
227.37375	2.3
235.13162	2.3
241.19429	3.0
259.20544	2.8
266.07846	3.9
273.18536	6.2
277.21628	35.4
291.19492	15.5
291.23068	6.6
295.22516	2.6
306.76627	2.0
309.20551	2.7
309.24173	8.6
310.11240	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	309.2208
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	3.7
55.01863	5.1
55.05503	22.7
57.03424	7.3
57.07059	3.7
58.06579	12.0
65.03919	4.8
67.05491	45.6
69.07047	26.4
71.04967	5.0
71.19525	4.4
77.88288	2.8
79.05478	38.2
81.03378	5.1
81.07044	44.5
83.08604	8.2
83.56205	2.7
91.05462	52.3
93.07026	80.1
93.13731	2.9
95.04951	79.6
95.05527	6.0
95.08586	51.3
97.06493	23.8
97.10156	5.4
103.05455	4.0
105.04485	3.3
105.07007	100.0
107.08571	41.8
109.06503	13.8
109.10127	20.4
110.45725	2.7
111.04385	3.2
111.08034	3.6
115.05431	6.3
117.06989	22.7
119.08554	75.8
121.06480	11.7
121.10124	78.5
123.08040	15.4
123.11692	5.6
128.06221	10.1
129.06966	18.3
130.07745	7.7
131.08533	44.2
133.10098	49.7
135.11653	12.8
141.06944	6.4
142.07741	19.2
143.08562	26.8
144.09271	9.4
145.06506	4.5
145.10083	64.4
147.08011	4.5
147.11639	13.4
149.09583	4.1
153.06931	3.3
155.08562	10.2
156.09314	10.2
157.10100	34.7
158.10837	5.9
159.08131	4.6
159.11655	37.5
161.09624	12.6
161.13181	4.6
167.08568	4.6
168.09370	4.0
169.10071	17.7
170.10866	4.7
171.11696	16.2
173.13185	20.5
175.14813	9.3
179.08534	6.3
181.10077	5.0
182.10930	6.9
183.11702	13.8
184.12428	3.7
185.13246	9.1
187.11206	10.8
187.14780	25.9
193.10092	5.4
194.10970	7.6
195.11652	7.3
197.13188	7.7
199.14854	14.6
207.11671	5.5
209.13168	8.8
211.14784	8.8
220.12450	3.2
223.14795	5.4
225.16364	4.0
235.14821	6.3
237.16206	4.7
239.17780	3.4
291.20337	4.0
309.09836	4.0
309.22058	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	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	16.0
55.01867	9.3
55.05505	26.2
57.07069	6.7
58.06591	13.5
58.78492	2.7
59.05004	3.4
65.03928	3.8
67.05494	63.2
69.07059	47.8
69.17958	15.2
71.04989	3.2
71.08604	4.1
79.05481	40.7
81.03405	57.3
81.06567	3.4
81.07045	64.4
83.04951	16.3
83.08616	17.2
85.10178	4.5
91.05459	24.7
93.07035	42.0
95.04945	36.2
95.08595	24.5
97.06521	4.0
97.10178	11.8
99.08057	3.7
105.07012	23.0
107.08570	29.4
109.06532	7.4
109.10167	18.9
109.85962	2.6
111.08057	6.3
117.06977	4.8
119.08569	12.0
121.10132	14.2
123.08020	5.2
123.11696	10.6
125.09605	13.2
129.06964	3.3
131.08560	3.7
133.10135	20.7
135.08070	8.7
135.11664	9.7
136.12068	2.7
137.09547	3.9
143.08618	4.1
145.10066	5.0
147.11638	15.5
149.09630	2.8
149.13228	10.1
151.11154	50.4
153.09108	7.0
161.09727	2.5
161.13202	14.5
163.14796	4.8
165.12729	9.7
167.41948	3.0
171.11624	4.2
175.11180	4.6
175.14888	5.3
177.12704	5.1
179.14297	7.0
180.46780	2.7
189.12827	3.3
203.12822	7.3
207.13823	4.1
231.21010	13.9
241.19502	7.3
249.22020	5.0
259.20551	11.4
259.49384	2.5
267.08755	6.4
277.21582	100.0
278.21899	6.3
291.19476	2.8
309.24136	4.3
310.10928	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.7
55.05500	34.2
55.06053	1.9
57.03413	6.5
57.07065	10.7
58.06586	14.4
59.04981	2.6
61.62272	1.8
67.05154	3.7
67.05496	58.9
69.03424	4.7
69.07056	30.4
71.04963	6.2
71.08611	15.4
73.56680	1.9
79.05035	3.3
79.05477	43.6
81.03403	5.0
81.07045	72.5
83.04956	15.0
83.08593	14.9
85.06520	6.6
91.05465	37.2
93.07024	56.3
95.04954	29.3
95.08012	3.8
95.08592	50.2
95.09198	2.5
97.06507	15.7
97.10154	9.2
98.23466	7.0
99.08071	14.1
105.07003	26.8
107.04903	3.9
107.08569	26.4
109.06487	6.9
109.10144	16.3
111.08070	7.5
117.06997	7.1
119.08553	19.8
121.10109	20.5
123.08023	6.5
123.11681	8.6
125.09610	6.1
128.06256	2.4
129.06956	4.7
130.75644	2.1
131.08575	11.8
133.10112	18.7
135.07979	3.5
135.11684	15.1
137.09590	5.5
139.11147	9.1
143.08551	4.5
145.10112	9.6
147.08058	2.5
147.11661	21.0
149.09589	3.8
149.13251	11.7
151.11151	11.5
153.12679	5.4
157.10086	7.1
159.11627	2.9
161.13237	11.3
163.11214	3.2
163.14825	4.8
165.12744	7.0
167.51503	2.7
171.11617	5.5
173.13162	2.8
175.11095	5.6
175.14738	4.1
179.14243	4.8
189.12732	2.8
193.12253	5.3
199.14792	4.3
207.80782	2.1
221.15253	5.0
231.21033	5.9
235.16977	2.9
241.19443	5.1
249.22110	4.5
259.20514	7.8
262.47763	2.3
266.07947	5.2
267.08786	3.8
277.21579	100.0
278.21786	3.7
291.23288	3.6
294.07736	2.9
295.22565	3.7
309.09808	4.8
309.24200	30.7
310.10995	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	309.242
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03932	3.2
55.01865	13.0
55.05254	3.1
55.05507	41.7
57.03429	5.0
57.07066	14.5
58.06600	12.0
58.88888	2.3
59.04970	4.5
65.03914	3.5
65.82536	2.2
67.05496	72.7
69.03417	8.2
69.07062	38.4
71.04972	7.3
71.08630	15.4
79.05487	55.1
80.17909	2.1
81.03403	5.0
81.07048	72.3
83.04973	17.9
83.08612	20.8
85.06529	7.7
91.05473	44.0
92.05752	2.1
93.07034	67.8
93.23737	2.1
95.04961	37.7
95.08596	59.9
97.06528	19.4
97.10153	10.2
99.08085	17.2
103.23020	2.3
105.04511	2.3
105.07023	31.5
107.04931	5.6
107.08590	36.3
109.06497	7.5
109.10134	21.2
111.04457	2.4
111.08061	5.6
111.11712	2.4
117.07034	7.2
119.08582	18.9
121.06507	3.9
121.10124	22.2
123.08052	9.0
123.11698	6.5
125.09641	5.7
129.06970	7.0
131.08546	10.7
133.10120	26.8
135.08002	2.7
135.11687	17.7
137.09589	7.0
137.13225	2.7
139.11182	17.5
143.08592	2.6
145.10106	10.0
147.08064	3.1
147.11671	20.4
149.13165	11.5
151.11200	13.9
153.12701	3.0
157.10132	7.1
159.11655	5.3
161.09634	3.2
161.13219	13.8
163.11127	7.4
163.14793	5.0
165.12726	10.2
171.11630	7.2
173.13254	3.4
175.11180	6.8
175.14745	6.7
179.14339	6.8
185.13182	4.6
193.12265	4.5
199.14752	3.7
207.13821	5.4
217.19589	4.2
221.15303	6.9
231.21014	5.5
241.19510	7.6
249.22075	5.2
259.20673	15.0
260.21164	2.3
277.21606	100.0
278.21933	6.0
291.19592	4.2
291.23148	6.5
295.22754	4.8
309.24240	41.9
310.10703	4.3
310.24362	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	309.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01860	7.6
55.05502	24.6
57.03422	3.0
57.07069	9.7
58.06589	5.9
59.04993	3.2
65.03927	1.3
67.05494	31.7
69.03421	5.0
69.07057	68.3
71.04985	3.9
71.08628	3.2
73.06550	3.0
79.05479	14.0
81.03387	2.3
81.07043	73.6
83.04944	2.4
83.08606	21.4
85.02871	1.5
85.06534	20.4
91.05454	6.8
93.07032	32.1
95.04972	5.1
95.08591	63.5
96.08913	1.7
97.06509	16.0
97.10168	7.3
98.11133	1.3
98.98450	3.3
99.08067	7.5
101.06013	1.6
105.07000	7.5
107.08575	27.6
107.09245	2.0
109.06498	2.6
109.10139	29.0
111.08057	43.6
111.11692	11.9
119.04941	2.7
119.08569	5.2
121.10133	13.7
123.08071	1.6
123.11683	26.7
125.09616	12.2
125.13252	2.1
131.08615	1.6
133.10129	4.4
135.11676	13.2
137.09605	1.5
137.13226	7.0
139.11174	1.5
147.04379	12.0
147.11690	3.6
149.13231	17.2
153.12726	11.7
158.69257	1.2
161.13254	2.5
163.14828	7.0
165.12769	2.2
167.14308	5.4
171.13832	1.3
175.14832	1.3
177.16357	2.1
179.08488	1.9
181.06421	2.9
186.48026	1.2
191.08519	2.0
194.07280	1.3
195.07922	1.3
196.08827	2.7
205.06519	1.5
206.07277	3.4
207.08038	9.2
208.08746	8.8
209.05946	2.0
209.09624	2.9
217.19537	1.4
219.08038	2.4
221.09657	1.9
223.07579	2.4
224.08266	11.4
234.06795	5.3
235.07460	12.2
236.08258	3.7
237.09113	3.7
239.10600	14.3
249.09006	5.7
251.06995	4.0
252.07796	9.8
262.06271	1.9
263.07114	3.4
264.07742	3.3
265.08545	3.2
266.08157	1.9
267.10126	22.6
273.25714	1.5
277.08511	8.7
278.09183	1.6
279.06656	1.2
279.10095	1.3
280.07248	4.0
291.26648	6.0
294.08615	1.3
295.09595	100.0
309.10934	6.5
309.27798	29.0
310.11917	98.3
310.15622	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03928	2.2
55.01867	11.8
55.05505	30.7
57.03437	4.6
57.06818	1.0
57.07074	15.4
58.06607	2.0
59.04988	3.3
60.72309	1.0
65.03928	1.8
65.41144	0.9
67.05496	36.0
69.03433	5.2
69.07060	85.9
69.33982	4.4
71.04976	3.6
71.08620	3.6
73.06517	1.3
76.92289	1.0
79.05484	16.8
81.03401	1.8
81.07048	100.0
82.07381	1.4
83.04963	3.2
83.08608	25.8
85.06045	2.0
85.06536	35.5
85.10157	1.6
91.05466	7.0
93.07035	32.5
95.04965	6.7
95.08595	79.2
97.06512	14.1
97.10140	10.1
98.98482	1.1
99.08082	13.6
105.06996	6.9
107.08578	36.3
108.08858	1.2
109.06480	2.1
109.10144	37.9
111.08068	81.0
111.11702	19.8
113.09622	2.8
115.07506	1.1
119.05979	0.9
119.08563	6.9
121.10126	18.9
123.08035	1.6
123.11685	34.8
125.09622	14.8
125.13263	1.6
127.11198	1.2
131.08521	1.2
133.10114	3.4
135.11668	15.4
137.05936	1.0
137.09604	1.7
137.13213	9.0
139.11153	9.4
147.04420	2.3
147.11629	4.0
149.13239	22.4
151.07671	1.0
151.11243	0.9
151.14809	2.7
153.12737	14.5
155.14346	1.4
157.12137	1.2
160.03139	1.0
161.13257	1.6
163.14795	6.7
165.12642	1.2
165.16284	1.1
167.14297	6.3
174.60666	1.0
177.16373	3.7
181.15843	2.0
189.16331	1.0
191.17897	2.6
203.17867	1.4
205.06464	1.3
206.07347	1.3
207.08049	1.9
208.08769	1.3
212.70728	1.1
217.19478	2.1
224.08253	2.9
234.06764	1.7
235.07474	3.9
237.09035	1.3
239.10664	3.1
249.09016	1.7
252.07858	1.3
267.10147	5.1
268.31735	1.1
273.25803	2.8
277.08563	4.3
291.19473	2.2
291.26776	8.4
294.11246	1.1
295.09586	23.3
309.10736	6.2
309.20447	2.1
309.27823	49.0
310.11917	25.4
310.28192	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	310.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82486	0.2
55.01889	0.2
55.85833	0.1
58.06586	0.4
67.05484	0.2
69.25648	0.7
87.30515	0.1
113.80479	0.2
137.05962	0.2
139.99232	0.1
153.06999	0.3
159.72482	0.2
165.06999	0.9
166.07727	0.3
167.08492	0.3
177.06935	0.3
178.07721	1.8
179.08545	2.6
181.06444	1.5
181.10065	0.6
189.06940	1.8
190.07512	0.2
191.08563	1.2
192.05609	0.5
193.06444	1.0
194.07108	0.9
195.08006	2.5
196.08809	2.7
197.09229	0.2
205.06430	0.5
206.07214	2.1
207.08023	8.5
208.08791	9.4
209.05943	2.0
209.09459	1.7
210.06654	0.3
217.06393	1.5
218.07103	0.5
219.07971	1.3
220.05109	0.5
220.08696	0.3
221.05927	0.5
221.09592	0.6
222.06721	0.5
223.07462	1.9
224.08276	11.4
225.08916	1.5
233.05884	0.7
234.06726	3.7
235.07495	11.8
236.08229	3.5
237.05495	1.1
237.09016	3.5
238.05943	0.2
238.09811	0.8
239.10629	11.8
240.10966	0.7
245.07021	0.3
247.07506	0.6
248.04692	0.3
249.05426	0.7
249.09070	3.9
250.06166	0.6
250.09514	0.3
251.06993	3.4
251.10631	0.5
252.07765	9.3
253.08310	0.8
262.06229	1.1
263.06992	2.5
264.07764	4.0
265.04956	0.6
265.08487	1.3
266.09302	0.6
267.10117	20.9
268.10547	1.4
277.08557	6.7
278.09073	0.6
279.06506	0.5
279.10086	1.3
280.07288	3.3
280.10779	0.5
281.07938	0.4
294.08664	0.3
295.09586	94.2
296.09949	5.5
310.11917	100.0
311.12305	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01870	14.9
55.05494	20.3
55.05737	4.7
57.03421	4.7
57.06804	7.6
57.07066	63.4
57.17078	4.4
58.06589	16.6
59.06924	4.5
64.16747	4.6
67.05492	57.1
67.53101	4.3
69.03455	6.0
69.07056	36.3
71.04975	4.6
77.64700	4.0
79.05482	39.6
80.55839	3.7
81.03411	5.5
81.07050	79.3
83.04958	16.3
83.08606	10.8
86.89550	4.0
91.05483	27.5
93.07042	35.2
93.58132	4.3
95.04955	21.0
95.08603	43.7
97.06527	12.1
97.10153	5.8
98.23490	11.9
99.08105	4.8
105.07029	26.7
107.04937	16.6
107.08573	22.4
109.06495	16.5
109.10142	22.9
111.04436	19.5
117.07001	8.7
119.08588	25.7
121.10140	20.2
123.08100	14.2
123.11707	9.0
125.05955	8.5
131.08539	13.0
133.10120	9.6
135.04402	14.7
135.08054	11.7
135.11667	6.3
137.09505	9.4
145.10100	13.1
147.07991	5.2
147.11647	22.3
149.09647	10.4
151.03902	9.0
153.05461	23.1
157.10159	6.2
159.11710	10.8
161.13271	6.5
163.03842	11.2
163.11154	9.8
165.12709	10.1
173.63867	5.2
177.12749	4.6
180.03108	4.7
181.04926	13.8
181.12175	6.3
189.36314	4.6
191.10681	17.5
199.05995	23.8
209.09837	3.5
209.11674	100.0
210.12199	5.1
221.15340	5.1
229.53244	4.7
235.82809	5.1
237.08868	7.3
237.11174	90.3
247.20499	5.6
255.12209	33.2
257.19058	4.8
265.17859	26.5
275.20032	45.1
280.11209	5.5
293.18085	6.1
293.21048	32.7
311.12314	9.7
311.18741	4.8
311.22314	5.6
312.12109	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	311.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33904	5.0
52.20934	5.1
55.01874	12.4
55.05503	41.7
56.15517	4.5
56.51884	5.1
57.03421	7.4
57.07057	10.8
58.06596	25.2
65.03898	6.4
67.05496	42.9
69.07055	40.5
70.93768	10.0
71.04961	7.4
71.08601	5.9
79.05479	28.6
79.97328	4.5
81.03397	11.6
81.07047	50.4
83.04963	30.0
83.08592	18.5
85.02873	7.7
85.06543	9.3
91.05474	27.1
93.07020	43.7
95.04951	98.8
95.08611	38.6
97.06515	20.1
97.10143	8.9
99.04436	5.2
99.08060	6.8
99.38888	5.0
105.07013	25.7
107.04879	9.4
107.08591	33.8
107.84713	4.3
109.06523	11.7
109.10157	14.4
111.04456	33.2
111.08078	6.1
113.06001	6.2
117.07011	6.1
119.08562	16.6
121.06501	9.6
121.09348	5.1
121.10135	20.0
123.08028	9.8
125.09596	8.3
131.08572	18.2
133.10072	13.5
135.08044	10.5
135.11668	15.2
137.09543	6.0
145.10060	17.6
147.11618	6.2
149.02376	6.2
149.09599	10.6
149.13252	5.8
159.11671	14.4
163.11127	20.4
167.14214	6.8
173.13245	8.5
177.12712	16.0
193.04918	21.2
195.13676	9.3
209.11615	9.2
237.14854	71.6
248.07764	8.6
263.10205	6.3
275.20001	60.5
276.20401	7.0
280.10770	7.2
293.21014	100.0
311.12064	10.6
311.24847	12.9
312.12189	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	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.97872	4.2
55.01864	13.4
55.05502	38.5
57.03425	5.8
57.07071	15.2
58.06592	18.0
67.05490	30.2
69.03413	6.2
69.07056	29.7
69.07380	4.7
71.04984	8.6
71.08614	8.7
75.01792	4.0
79.05460	32.1
81.03441	4.9
81.07045	45.8
81.65558	4.4
83.04958	24.4
83.08629	13.9
85.02900	5.3
85.06548	6.8
90.28841	4.8
91.05481	17.3
93.07042	32.1
95.04959	53.8
95.08589	30.7
97.06527	12.5
97.10154	10.6
98.23439	16.7
99.08079	14.9
105.06997	20.4
107.08593	19.6
109.06503	18.6
109.10147	9.6
111.04438	20.0
113.05991	7.6
117.07025	12.6
119.08559	16.2
121.06529	8.3
121.10137	19.1
123.08057	8.3
125.09614	14.9
131.08572	15.2
133.10120	15.6
135.08028	18.2
135.11676	10.0
144.06406	4.6
145.10126	11.8
147.11635	8.8
149.02306	9.4
149.09593	8.6
149.13219	9.1
159.11655	10.8
163.11195	18.9
173.13155	5.1
174.61086	5.0
175.10986	4.6
176.52438	4.2
177.12740	8.8
189.11223	5.6
193.04988	21.9
193.12199	4.5
195.13800	7.9
196.62578	7.8
224.65639	7.5
237.11240	5.9
237.14838	43.4
263.10236	5.3
275.20053	57.4
276.27576	4.5
293.21024	100.0
296.10013	5.9
311.24707	39.1
311.74603	7.3
330.22006	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	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01860	36.3
55.05505	58.4
55.31371	4.1
57.03429	8.4
57.07074	39.8
58.06590	19.9
67.05496	62.0
69.03400	8.4
69.07055	36.1
70.04060	15.2
71.04984	13.6
71.44765	4.5
79.05481	58.1
79.63118	4.2
81.03416	9.0
81.07049	88.3
83.04959	39.8
83.08605	30.7
85.06580	5.4
91.05463	37.5
93.07038	50.4
95.04973	26.3
95.08602	41.9
97.06518	38.1
97.10166	31.4
105.07021	33.5
107.04929	12.8
107.08588	88.4
109.06507	13.1
109.10117	26.4
111.04424	26.1
111.08064	8.3
113.05994	12.8
115.86037	4.5
117.07009	9.0
119.08569	19.2
120.40037	4.2
121.06502	8.3
121.10133	22.0
123.08037	12.0
123.11707	5.9
125.06000	12.3
125.09606	75.2
131.08549	21.7
133.10126	16.6
135.04364	4.8
135.07983	10.8
135.11699	13.7
137.09624	8.9
139.11153	8.0
143.08517	5.0
145.10104	19.8
147.11679	14.1
149.09604	17.7
153.05409	21.3
153.09044	5.5
153.12743	16.0
159.11691	12.7
163.11150	19.9
167.10680	7.1
169.10146	7.1
173.09470	5.7
173.13193	5.8
177.12767	14.2
181.04990	8.8
181.12244	17.8
187.11224	8.7
189.11180	25.2
191.10678	17.4
194.95445	4.7
205.12358	8.5
207.13582	4.8
209.11691	100.0
210.12201	4.3
211.13202	7.0
223.13197	22.8
237.11151	92.0
237.14725	5.2
255.12236	15.0
257.19067	8.6
275.20035	69.5
276.20401	5.1
293.17874	6.1
293.21078	55.4
294.21545	5.3
311.12189	8.0
311.15350	5.4
311.25278	14.9
312.11908	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	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.27629	3.5
50.28872	3.2
51.12144	3.6
53.03935	5.4
55.01865	14.4
55.05502	68.8
57.03429	6.2
58.06584	9.8
67.05490	52.2
69.03414	7.8
69.07053	22.9
71.04980	6.0
71.08614	25.2
79.05473	38.8
81.03420	27.1
81.07045	65.0
83.05003	22.2
83.08599	48.3
85.06532	4.2
91.05477	28.4
93.07016	37.3
95.04945	37.3
95.08588	27.6
97.06514	16.0
97.10137	33.1
99.08094	20.7
105.07015	23.3
107.04948	12.0
107.08572	31.7
109.06489	12.7
109.10146	22.4
109.15778	3.7
111.04447	8.1
111.08086	17.9
117.06972	10.6
119.08572	15.3
121.10139	15.1
123.08019	6.4
125.09636	32.7
129.06989	7.5
131.08563	12.1
131.11478	3.6
133.10118	11.9
135.08034	6.7
135.11656	12.6
141.81645	3.6
145.10135	11.3
147.11659	9.8
149.09575	15.4
153.09065	3.7
157.10129	5.5
159.11714	6.6
163.11154	44.2
164.51570	4.3
165.12779	7.6
167.10667	6.6
173.13245	5.4
175.11154	8.0
177.12737	8.1
189.11154	17.2
193.12186	14.7
195.13783	14.8
211.13297	9.4
219.13686	4.7
222.18024	3.6
223.13261	10.7
236.07747	4.4
247.20583	4.7
248.07858	8.9
248.10197	4.6
257.18967	9.7
263.10181	13.7
264.07129	6.1
265.08386	4.5
265.21487	3.9
275.20010	28.7
279.09659	6.5
293.21030	100.0
294.12076	21.5
294.21524	6.9
301.61008	3.8
311.14642	21.1
311.22156	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	311.2214
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03935	4.9
55.01870	19.0
55.05507	84.2
57.03424	9.3
57.07078	16.9
58.06591	8.1
60.08147	3.2
67.05157	2.9
67.05502	44.1
69.03432	6.6
69.07063	47.5
69.81139	2.5
69.87302	7.0
71.04983	9.7
71.08622	5.2
79.05491	45.4
80.05818	2.6
81.03407	9.4
81.07052	45.5
83.04976	34.5
83.08608	58.3
85.02895	9.3
85.06533	5.3
91.05464	24.0
93.07033	46.3
95.04959	98.4
95.08601	27.4
95.65311	2.4
96.01202	3.2
96.05281	3.6
97.06515	9.2
97.10163	40.6
98.22670	3.0
99.04448	8.9
99.08115	3.1
105.07026	28.5
107.04941	10.0
107.08589	55.3
109.06503	9.5
109.10130	18.5
111.04434	48.7
111.08081	18.3
111.11652	3.0
115.97607	2.4
117.07011	13.1
119.08556	19.0
121.06507	6.5
121.10136	29.6
123.08073	6.0
123.11697	3.7
125.09625	32.8
129.07045	4.1
131.08568	14.2
133.10103	12.7
135.04422	12.3
135.08041	10.2
135.11679	15.7
139.11136	3.8
145.10101	30.0
146.10663	2.8
147.08063	5.5
147.11676	12.1
149.09604	48.8
149.13170	3.2
153.05431	4.1
153.09142	5.5
153.12802	6.5
157.10104	4.7
159.11653	9.6
161.09634	7.9
161.13240	3.7
163.11163	44.3
164.11478	2.8
169.10040	3.8
171.10196	3.3
171.11627	4.6
173.09579	4.0
173.11783	3.7
173.13220	4.9
175.11099	2.8
177.12665	4.6
181.12222	12.0
183.13863	2.5
187.11195	6.3
189.11174	35.5
191.10649	8.1
205.12212	9.2
209.11754	9.4
211.13211	5.0
217.83180	3.1
221.90375	3.1
223.13266	93.8
224.13548	4.1
227.12749	3.3
229.19307	3.3
237.11166	8.8
237.14853	5.5
247.20706	2.8
255.12178	3.0
257.18991	11.7
275.17014	4.9
275.20035	100.0
276.20374	7.4
293.21063	88.7
294.21472	5.0
298.25125	2.9
311.22134	11.9
311.25671	21.5
312.26004	5.2
312.36243	11.9
329.69836	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	62.4
57.03431	16.3
57.07070	18.2
61.97858	6.4
67.05504	46.0
69.07063	75.0
69.13602	39.1
77.03941	8.1
79.05492	29.5
81.07059	46.9
81.91120	6.8
83.08621	41.0
84.94041	6.1
91.05466	44.9
93.07040	100.0
95.04953	72.2
95.08601	90.4
97.06537	23.3
97.10145	11.6
105.07019	66.0
107.08588	53.8
109.06527	12.9
109.10136	36.3
117.06975	15.1
119.08549	66.9
121.06478	19.2
121.10127	44.9
123.08063	19.6
123.11687	16.1
129.07005	7.7
130.07791	8.0
131.08588	17.2
133.10107	44.2
135.08054	12.8
135.11705	19.2
141.20094	7.1
142.07796	11.5
143.08553	17.4
145.10114	37.7
147.11696	24.6
149.13222	6.5
157.10091	31.9
159.11700	30.6
161.09598	12.5
161.13219	11.0
169.10170	11.3
171.11728	15.1
173.13220	12.9
177.16367	20.9
185.13345	9.7
187.14806	8.9
189.16412	10.3
197.13162	7.2
201.16359	13.7
211.14848	8.3
274.12903	6.5
311.23615	35.9
311.26328	17.7
332.13525	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	311.2576
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.26021	0.7
53.03936	1.9
55.01854	2.9
55.05503	69.3
57.03431	25.4
57.07067	33.9
58.89738	0.7
66.60217	0.6
67.05490	10.7
69.07058	74.8
69.35809	3.3
70.07389	1.8
71.04990	1.1
71.08617	20.2
73.02898	1.0
73.06542	0.8
73.91672	0.7
79.05479	5.2
81.07050	13.5
82.83817	0.7
83.04974	1.5
83.08608	62.0
84.08920	0.9
85.10163	7.5
91.18628	0.7
93.07034	7.9
95.08600	9.6
97.06516	5.4
97.10154	44.1
98.10475	1.3
98.22552	1.2
107.08581	6.9
109.10164	3.6
111.08080	3.2
111.11697	14.0
121.10107	7.6
123.11683	2.1
125.09620	2.6
125.13254	2.6
135.04425	1.0
135.11658	5.9
137.13235	1.4
139.11165	1.5
149.13216	2.8
163.14760	1.1
185.65990	0.7
209.11661	1.1
219.21109	1.6
224.70647	0.7
311.25735	100.0
312.26117	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91967	0.8
53.03929	2.6
54.38300	0.9
55.01868	1.4
55.05504	70.9
56.05841	0.9
57.03429	28.8
57.07070	34.6
58.06583	1.2
67.05495	12.0
68.57521	0.7
69.07059	84.2
70.07401	0.9
71.08622	18.7
73.02915	1.4
79.05476	6.8
81.07044	13.6
83.04979	2.4
83.08608	67.0
85.10169	7.1
90.74514	0.7
91.05475	1.2
93.07035	8.7
95.04970	1.3
95.08596	12.7
97.06515	6.0
97.10158	48.2
98.10497	1.0
107.08573	8.3
109.10153	4.6
111.04421	1.0
111.08055	3.2
111.11723	13.5
121.10133	9.7
123.11730	2.3
125.09639	2.3
125.13248	2.9
135.03381	0.8
135.04417	3.0
135.11681	6.3
137.13254	1.0
139.11159	2.1
140.48561	0.8
149.13252	3.4
153.12788	1.4
161.09602	2.8
163.11130	0.9
163.14772	1.6
177.16454	1.2
182.54526	0.8
209.11601	4.5
219.21024	1.9
227.12747	2.5
237.11154	2.6
243.03818	0.9
255.12199	1.2
311.25748	100.0
312.26019	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	311.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.0
55.05503	39.2
57.07066	16.7
57.07291	2.8
58.06588	17.3
59.06902	3.3
65.03938	2.7
67.05495	45.0
69.03418	3.7
69.07059	72.0
71.08619	8.6
74.10286	2.6
75.82536	2.4
79.05483	18.3
81.07046	100.0
83.04931	3.5
83.08611	39.3
85.06535	31.8
85.10165	3.2
91.05473	9.2
93.07021	25.4
95.04989	2.9
95.08596	86.3
96.08975	3.3
97.06543	15.6
97.10159	24.7
99.08062	17.2
102.32190	2.8
105.07001	7.9
105.87912	3.0
107.08574	24.5
109.10141	54.2
111.08055	7.8
111.11720	13.8
119.08492	4.4
121.06525	3.2
121.10101	13.2
123.11696	32.8
125.09602	4.9
125.13288	4.9
129.05417	6.3
129.07036	3.2
131.08577	5.4
133.10178	3.0
135.11662	10.5
137.05931	6.4
137.13243	11.4
149.13211	28.2
151.14777	5.1
163.14862	7.2
167.14305	6.1
179.08453	3.3
181.06523	3.5
183.07936	3.4
184.16946	13.0
187.07565	3.6
192.09085	2.7
195.08049	6.8
199.66624	2.8
205.06332	3.0
209.09602	4.5
211.07439	5.5
225.08900	4.7
237.08932	3.8
253.08279	4.3
253.50185	3.5
254.09312	18.5
265.08560	11.9
266.09201	3.8
266.21146	18.5
268.10315	3.7
269.11655	11.5
275.20016	6.3
275.27286	3.9
279.10132	7.6
280.10760	3.3
281.07877	5.8
293.28275	6.6
294.20621	36.3
296.10083	16.4
297.11118	19.8
311.12762	47.8
311.16281	9.5
311.29401	48.0
312.13223	21.3
312.19312	6.2
314.70755	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	0.9
67.05469	0.3
69.03370	0.4
69.07037	0.6
75.22383	0.3
81.07035	0.5
95.08518	0.3
97.02853	0.3
101.35609	0.3
123.92658	0.3
137.05920	0.8
141.05171	0.3
151.07489	0.3
152.06241	0.3
153.06938	0.8
155.08513	1.4
165.06976	2.7
166.07756	1.5
167.08556	0.6
168.05586	0.3
177.06943	0.9
178.07722	1.3
179.08553	1.8
180.09059	0.5
181.06503	0.9
181.10068	0.4
182.07201	0.5
183.08023	4.6
190.07710	0.9
191.08546	1.5
192.08852	0.3
193.06471	1.3
194.07240	4.3
195.08005	5.3
196.08667	0.8
197.06020	0.5
197.09552	0.8
198.10345	0.8
205.06448	2.2
206.07111	1.1
207.08046	2.1
208.08795	2.5
209.05951	0.9
209.09579	8.3
210.06700	0.6
210.10286	2.2
211.07507	21.6
212.08003	1.0
219.08044	0.5
220.08633	0.8
221.05910	1.6
221.09544	0.6
222.06703	3.5
223.07449	4.1
224.04674	0.5
224.08257	4.5
225.05513	0.4
225.09096	3.9
226.09824	4.3
227.10548	0.4
231.49402	0.3
235.07523	1.7
236.08237	3.9
237.05463	0.5
237.09058	12.2
237.11472	0.6
238.09816	12.3
239.06989	19.0
239.10645	5.5
240.07341	0.8
240.11014	0.3
241.12218	2.8
249.08922	0.5
250.06036	0.5
251.06964	4.2
251.10623	1.7
252.07683	1.6
252.10654	0.5
253.08449	1.3
254.09335	87.6
255.09721	4.0
264.07581	0.8
265.08521	4.3
266.09222	17.1
267.06543	2.0
267.10077	7.5
268.10733	1.7
269.11679	91.0
270.12061	3.7
279.10062	0.8
280.10437	0.9
281.08011	1.3
281.11484	0.9
282.08783	7.1
282.12335	1.1
283.09439	0.6
296.10077	0.7
297.11160	92.0
298.11591	4.6
311.25504	1.2
312.13452	100.0
313.10556	0.3
313.13898	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	312.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
57.03430	3.0
57.07066	13.3
58.06343	0.4
58.06593	1.9
60.08154	22.9
67.05494	1.8
69.07055	1.9
71.08621	7.6
75.24261	0.2
79.05464	0.3
81.07037	2.7
82.48420	0.3
83.08613	1.9
85.10170	3.6
89.06017	0.4
91.05454	0.3
93.07015	0.2
93.89254	0.3
95.08590	3.1
97.10146	0.8
99.11735	0.3
103.07551	0.5
109.10145	1.5
111.11687	0.3
123.11671	0.7
133.10107	0.3
139.14661	0.2
202.81018	0.2
217.71364	0.2
239.23645	0.5
257.24686	0.9
268.55020	0.3
312.36169	100.0
313.27313	11.5
313.36520	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	313.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.05498	6.2
57.07079	0.8
58.06575	2.0
59.04978	2.6
65.03922	1.7
67.05491	30.5
68.49779	0.7
69.03403	1.6
69.07052	5.1
71.04976	5.7
71.45254	1.3
73.06562	1.0
77.03922	1.6
79.05479	34.0
81.03397	3.1
81.07040	24.3
83.08578	2.2
84.94888	0.9
85.06541	4.7
89.52400	0.8
91.05463	38.5
93.07030	36.4
94.01837	0.8
95.04954	13.2
95.08591	38.9
95.09205	2.0
96.08911	1.3
97.06513	7.2
97.10131	1.6
98.98489	1.2
99.08066	2.7
103.05441	1.2
105.04530	1.7
105.07012	43.1
106.07336	1.5
107.04956	1.3
107.08572	20.7
109.06483	3.6
109.10154	5.8
111.08039	2.5
113.06004	5.5
115.05415	3.7
116.06212	2.5
117.06999	47.9
118.07330	1.3
119.08559	24.7
120.08910	0.8
120.27029	0.8
121.05697	0.7
121.06479	4.1
121.10124	10.3
123.08045	9.5
123.11697	1.1
125.06032	0.8
125.09606	2.7
127.07535	12.5
128.06198	4.6
129.06982	20.1
130.07780	4.5
131.08542	100.0
132.08900	3.2
133.06483	1.3
133.10098	11.9
135.08038	3.3
135.11668	2.8
137.05914	1.4
141.06984	5.3
142.07767	7.1
143.08542	30.8
144.09326	5.9
145.06424	1.2
145.10100	56.5
146.10440	1.5
147.08026	3.9
147.11656	6.8
149.08461	0.8
149.09648	0.9
153.06973	1.1
153.09058	2.3
155.08531	15.6
155.10626	2.9
156.09302	3.5
157.06557	1.1
157.10094	38.5
158.10826	2.7
159.08026	3.3
159.11665	98.5
160.12042	3.4
161.09590	2.6
161.13252	2.2
165.06998	1.1
166.07671	1.0
167.08467	1.2
168.09273	1.6
169.10097	18.2
170.10822	1.7
171.08047	1.7
171.11661	40.6
172.12126	2.8
173.09598	3.9
173.13223	11.6
175.11212	2.0
179.08537	2.0
179.10579	1.2
180.86313	0.8
181.10034	4.8
182.10901	2.0
183.11653	18.5
184.12189	1.7
185.09561	2.8
185.13228	21.1
186.14063	0.9
187.11183	3.3
187.14784	84.3
188.15086	4.4
189.12788	1.7
192.09236	1.0
193.10123	2.1
195.11665	6.2
197.09554	2.0
197.13216	21.8
198.13637	2.3
199.11237	3.1
199.14784	25.8
200.15436	6.1
201.12695	3.4
201.16423	2.6
203.14240	1.2
207.11687	2.6
209.09561	0.9
209.13220	1.4
210.10236	1.2
211.11278	4.2
211.14774	8.2
212.07927	1.3
217.15816	2.6
220.12619	1.0
221.13240	2.3
223.14751	6.2
224.08263	1.1
225.09076	3.0
225.13034	5.6
225.16330	50.7
226.16747	3.2
233.15207	0.9
235.14803	3.6
239.10454	1.7
239.14261	5.1
253.15944	7.1
253.19466	54.4
254.09207	1.0
254.15941	1.1
254.19838	3.8
255.09682	4.8
263.17923	7.4
270.12009	4.8
281.08124	1.3
281.18945	32.7
282.12518	1.2
282.19125	1.4
283.09396	1.2
285.18311	1.4
298.11407	6.7
313.10779	1.5
313.13947	8.3
313.21542	91.2
314.14096	3.9
314.17587	1.7
314.21960	5.3
314.25046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.8
57.03429	24.5
57.07069	72.7
58.06585	1.9
58.07391	0.7
60.08152	4.1
61.08476	0.9
64.57719	0.6
67.05497	14.8
69.07060	11.8
71.08622	44.0
72.08970	0.7
79.05462	1.6
81.07043	18.2
83.08609	13.7
85.06496	1.3
85.10175	24.7
87.08125	0.7
89.06011	3.1
89.72984	0.6
92.84303	0.7
93.07036	2.3
95.08593	23.0
97.10155	8.1
99.11715	1.3
103.07582	2.4
104.15092	0.6
109.10145	12.2
111.11694	2.4
117.09110	1.3
123.11685	5.8
129.45541	0.6
137.13222	2.1
151.14757	0.8
151.31519	0.7
239.23705	4.6
257.24667	6.1
283.52267	0.7
298.10757	1.7
313.27322	100.0
313.36523	18.5
314.13968	3.3
314.17258	0.8
314.27573	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	313.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.9
57.03431	25.6
57.07068	75.5
58.06574	1.1
58.07392	1.0
62.15876	0.7
67.05146	1.2
67.05495	13.7
69.07059	13.2
69.71059	2.6
71.04984	1.2
71.08622	47.1
71.95871	0.7
72.08939	1.4
74.80813	0.7
75.04467	0.8
79.05477	1.2
81.07046	18.2
83.08610	16.5
85.06542	1.0
85.10172	26.8
88.47707	0.7
89.06016	4.7
93.07044	1.5
95.08596	27.5
97.10176	7.4
98.22752	1.6
99.11728	1.4
103.07578	2.9
107.08611	0.9
108.79057	0.8
109.10139	11.3
111.11699	1.5
117.09098	1.1
123.11687	5.6
125.13240	1.0
137.13261	2.3
145.47437	0.7
151.14734	0.9
155.85312	0.9
229.64784	0.8
239.23669	5.2
257.24750	8.9
313.27310	100.0
313.36700	2.2
314.13904	1.9
314.27716	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	314.1382
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
58.06591	30.2
69.47543	1.1
72.70553	0.3
75.57919	0.3
101.05698	0.3
105.06997	1.1
107.04937	11.4
109.06497	0.4
115.05426	0.7
117.06975	0.5
119.04933	0.4
121.06474	0.9
123.04397	0.3
131.04944	0.6
136.05164	0.7
137.05954	2.5
138.05447	0.5
143.04883	1.6
145.06450	1.0
147.08031	0.4
148.40562	0.3
150.06691	0.4
151.07507	8.7
152.07028	3.4
152.08063	0.4
153.07426	0.3
157.89952	0.3
160.05101	0.5
160.13004	0.3
162.05450	0.9
163.06256	0.7
163.07535	0.4
164.07083	0.3
165.09090	1.5
175.07513	1.9
176.07091	0.8
192.10179	0.7
194.07207	0.5
209.09546	1.1
211.11194	0.4
214.19579	0.3
219.08052	0.3
237.09079	1.5
238.08633	0.8
239.10396	0.4
253.10864	0.5
255.08653	0.3
256.09662	1.1
264.10059	0.3
265.08148	0.3
268.13327	0.6
269.11655	3.9
270.07532	1.1
271.13416	1.5
280.09634	0.7
281.10229	0.6
282.11197	0.7
283.08270	2.2
284.09042	2.6
285.09885	1.0
286.17465	0.3
296.12860	0.9
298.10690	49.1
299.11432	31.4
299.15024	0.5
300.11783	1.5
314.13788	100.0
314.17447	29.6
315.14114	7.2
315.17773	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01864	0.7
55.05474	0.8
56.96553	4.6
57.03409	2.2
58.06590	4.5
58.80305	0.7
59.04986	0.8
61.02907	1.8
63.47058	0.6
67.18925	0.6
69.03414	2.3
71.01330	1.4
71.04969	2.0
73.02909	7.2
75.04461	1.3
81.03400	0.9
81.36590	0.6
84.69282	0.6
84.96011	0.9
85.02892	6.5
91.05461	3.9
93.07024	7.5
95.04948	2.3
97.02884	2.6
98.97562	2.1
99.04428	4.6
102.07124	0.7
103.05439	3.6
107.04926	1.1
108.08121	1.6
109.02899	0.7
116.98626	1.9
117.05473	30.7
121.06486	100.0
122.06860	1.8
124.07575	0.9
127.03931	1.5
135.06448	0.8
136.07492	0.8
145.04965	1.0
150.93942	0.7
152.07030	5.0
152.10672	7.9
158.99660	1.0
164.07056	2.5
172.94283	1.1
174.97583	1.3
190.95424	0.9
205.00098	0.8
219.00259	1.6
230.98048	1.0
232.96431	2.4
244.98048	0.8
248.99202	4.3
250.97472	1.5
258.99628	0.7
267.00308	2.1
290.96722	0.9
298.10571	0.9
314.12375	4.7
314.15973	15.1
315.16232	1.0
332.03131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03934	0.5
55.01858	0.4
55.52416	0.3
56.96559	3.4
58.06593	1.0
61.02916	0.7
66.94949	0.3
69.03417	1.6
69.34862	1.3
71.05013	0.3
73.02908	0.6
74.60317	0.3
77.03911	0.3
81.03403	0.6
83.01289	0.3
83.51132	0.2
84.96014	0.8
85.02885	3.4
86.09683	0.4
87.04467	0.5
91.05470	4.4
93.07036	6.9
95.04951	1.6
97.02875	1.0
98.97567	4.0
103.05458	4.2
105.04482	0.7
108.08111	1.8
109.02850	0.4
116.98595	2.2
117.05497	1.1
121.06489	100.0
122.06812	1.9
127.03927	0.4
128.98581	0.3
129.10179	0.4
130.93275	1.2
134.05981	0.3
134.09647	0.5
134.99651	0.7
136.07599	0.3
144.28612	0.3
149.05888	0.3
152.07045	2.1
152.10678	6.7
154.93318	0.4
158.99577	0.3
163.02827	0.3
163.07529	0.4
164.06978	0.6
172.94330	4.0
174.97679	0.3
177.00835	0.4
178.14987	0.3
184.94231	0.4
186.95917	0.3
190.95380	3.0
204.96831	0.3
208.96410	1.2
214.95427	0.5
216.15997	0.3
218.94891	0.9
218.98338	0.5
219.01932	0.9
230.98077	1.0
232.96495	0.8
234.99852	0.3
236.95786	0.4
236.99529	0.6
237.02853	0.3
244.96558	0.3
246.97975	0.7
248.99162	3.2
254.94914	0.3
258.99854	0.4
264.99072	0.3
267.00247	1.8
268.00562	0.3
272.95938	3.0
274.97549	0.6
277.00876	0.6
290.96991	8.5
298.10828	0.4
301.95789	0.3
308.97852	0.5
314.12360	1.9
314.15887	17.2
315.07361	0.6
315.16440	0.7
316.25473	0.3
332.03265	0.6
332.06851	0.7
332.10391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
56.96566	1.6
57.03441	0.5
58.06587	1.3
61.02923	0.8
64.34861	0.3
69.03416	1.3
69.66824	0.3
70.94026	0.3
70.94379	0.3
71.01347	0.4
72.05452	0.3
73.02911	0.8
77.03922	0.5
80.47603	0.3
81.03407	0.5
84.04529	0.3
85.02893	3.3
85.78186	0.3
87.04461	0.6
91.03949	0.3
91.05487	3.7
93.07034	7.1
93.07600	0.6
95.04954	1.3
95.89497	0.2
97.02876	1.2
98.22792	0.4
98.97582	0.9
99.04446	0.6
103.05460	4.5
105.04515	0.6
106.06564	0.3
108.08115	0.9
109.02847	0.3
117.05470	2.8
121.06491	100.0
122.06817	2.2
124.07542	0.3
127.03873	0.5
134.05931	0.4
136.07549	0.6
152.07118	1.9
152.10680	7.2
158.99663	0.4
164.07056	1.2
167.40523	0.3
186.99129	0.5
194.11758	0.3
205.00253	0.6
230.98096	0.7
248.99136	2.6
267.00229	0.3
272.00882	0.4
274.95889	0.3
296.11319	0.3
314.12415	2.9
314.15942	17.7
315.16257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1746
Annotation	Laurifine
Peak:m/z	Relative Intensity
56.05007	0.4
58.06592	97.0
59.06936	0.8
68.36918	0.4
70.06558	0.4
70.51913	0.7
77.03954	0.5
91.05477	1.3
93.07046	0.7
98.23363	0.5
101.62202	0.4
103.05463	0.5
107.04939	39.1
108.05302	0.5
115.05460	1.5
117.07063	1.3
119.04953	0.7
121.06469	3.5
131.04900	1.2
135.52072	0.4
137.05965	4.8
143.04906	4.1
145.06464	3.9
147.08099	1.5
149.06000	0.6
151.07489	3.8
152.07068	0.7
153.54097	0.5
160.05249	1.2
162.05537	0.7
163.07538	1.0
164.10760	0.5
175.07539	5.3
176.63721	0.4
181.06502	0.6
182.07385	0.7
191.08704	0.6
192.10240	1.5
193.11008	0.8
194.07304	1.1
209.09595	2.9
211.11172	2.1
219.08034	0.9
222.62984	0.4
237.09053	3.9
239.10645	1.0
254.09425	1.0
265.08472	0.5
269.11664	11.1
271.13211	6.0
282.14984	0.5
284.09280	1.2
298.10696	16.4
299.11438	9.9
299.14584	0.7
314.13922	28.5
314.17603	100.0
315.14273	2.1
315.17975	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	314.1744
Annotation	Laurifine
Peak:m/z	Relative Intensity
56.20546	0.5
58.06592	100.0
59.06932	0.7
69.44686	1.0
69.45088	1.4
79.05483	0.7
87.89501	0.5
91.05462	1.0
95.04952	0.9
107.04939	37.1
112.40353	0.4
115.05451	2.4
117.07020	1.4
119.04870	1.1
121.06503	4.0
126.53476	0.5
131.04933	1.0
131.64597	0.5
134.90218	0.5
137.05943	3.6
143.04886	3.0
145.06429	3.3
147.08014	1.4
149.05989	0.7
149.81000	0.5
151.07542	3.2
158.97955	0.5
160.05173	0.9
161.05777	0.5
163.07545	1.1
175.07518	5.5
181.06374	0.7
183.08023	0.7
188.48929	0.5
191.08585	0.8
192.10199	2.3
194.07248	1.1
194.11760	0.8
195.07913	0.6
209.09605	3.3
211.11153	0.6
219.08055	0.8
237.09073	3.7
239.07219	0.6
239.10620	1.0
254.09343	0.9
269.11697	11.4
270.12115	0.7
271.13303	4.3
282.34509	0.6
298.10748	4.4
299.11368	2.7
307.91614	0.5
314.13904	7.1
314.17413	76.4
315.17780	3.6
336.64407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69503	0.3
56.96553	5.6
57.03412	0.3
58.06592	0.7
64.38131	0.3
69.03410	1.3
70.06580	0.8
70.39909	0.7
70.40262	0.4
81.03405	0.4
83.50143	0.4
84.08131	1.5
85.02888	2.6
86.03251	0.3
86.09686	0.9
91.05470	3.1
93.07035	4.6
94.07370	0.5
95.04947	0.8
97.02885	1.1
98.97568	11.8
103.05460	2.8
104.05855	0.5
105.04460	0.6
108.08101	1.3
108.99817	0.4
110.97551	0.5
112.92257	0.9
116.98601	7.0
119.04934	0.4
121.06487	57.8
122.06816	8.8
127.03925	0.6
128.98563	0.8
129.10239	0.5
130.93285	10.6
130.94237	0.7
131.01817	0.7
134.09592	1.6
134.99646	3.2
135.06487	0.4
135.09962	0.3
136.07558	1.1
136.11226	0.4
137.05946	4.5
141.02150	0.5
145.01718	0.6
148.94342	2.9
152.07057	1.2
152.10692	5.3
153.11024	1.1
154.08615	1.0
154.93233	1.6
156.96501	0.5
159.03317	0.8
163.02776	1.3
164.07091	0.4
172.94330	37.9
174.97626	3.4
176.97417	0.4
177.00806	0.5
184.94350	2.5
185.01193	0.6
186.95894	1.4
187.02800	0.4
190.95370	41.5
191.95683	0.4
192.98662	3.2
202.95351	3.8
203.02272	1.0
204.96965	3.1
208.96429	13.8
212.93793	0.5
214.95357	0.9
216.96918	0.5
216.98753	1.0
219.00220	1.0
219.02065	0.5
220.96451	1.5
222.98035	1.4
226.95412	1.0
228.96858	3.8
230.94839	1.5
231.00214	0.5
232.96417	2.1
234.99767	1.2
235.46640	0.4
244.96280	3.6
244.98425	0.4
245.01831	0.5
246.97986	9.3
247.03294	0.7
248.96001	2.3
248.99236	0.4
250.97514	1.0
251.09496	0.5
254.94852	4.6
256.96408	0.6
260.95813	0.4
262.97440	1.4
264.98886	4.7
269.10773	0.4
271.03040	0.8
272.95908	39.9
273.01096	1.3
273.96417	0.7
274.97507	3.7
278.01126	0.4
290.96954	100.0
291.02319	2.9
291.97336	2.1
292.98615	2.4
295.97449	0.9
300.46008	0.4
308.97992	11.9
309.03275	2.2
313.98593	1.1
314.12326	1.5
314.15875	8.5
314.95654	1.1
315.02094	0.5
315.07501	4.1
315.10492	0.7
315.16147	3.2
332.96698	1.3
333.08475	1.4
337.04459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51565	0.4
53.03922	0.5
53.69528	0.4
53.76780	0.5
55.01879	0.4
56.96558	4.9
58.06594	3.9
68.54519	0.4
69.03425	0.6
70.06601	1.0
72.08144	0.7
73.02901	1.0
74.83932	0.5
81.03396	0.8
84.08138	0.8
85.02895	1.2
86.09696	0.9
97.02876	0.7
98.97572	9.8
99.97897	0.5
101.14578	0.4
107.04948	1.0
111.82805	0.4
116.98613	7.8
121.06481	0.6
122.06876	0.9
125.05902	0.7
127.03921	0.6
129.10208	0.9
130.93286	0.7
134.99680	3.3
141.02191	0.7
145.01694	0.5
152.10751	0.6
153.00635	0.6
153.05272	1.5
155.14745	0.4
159.03255	1.6
163.02798	1.3
172.94341	1.8
174.97720	0.5
177.00720	0.5
185.01164	0.6
187.02724	0.9
190.95349	2.4
192.44397	0.4
194.54254	0.4
203.02301	0.6
205.03770	0.8
214.95256	0.6
222.04306	0.8
229.03847	0.6
232.96397	3.3
237.54587	0.5
247.04875	1.0
248.86911	0.5
250.97470	1.9
256.96338	0.6
274.97513	5.3
279.07642	0.6
285.92465	0.5
288.99225	0.6
290.96985	0.7
291.00754	0.5
292.98486	2.9
298.14285	3.7
299.11066	0.5
308.89035	0.7
315.07547	5.0
315.10468	100.0
316.10886	3.8
316.15384	6.2
333.08551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1071
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
53.03942	5.8
55.01861	5.5
56.96549	5.7
57.03426	3.0
57.07594	2.7
58.06596	76.8
58.06893	3.8
59.06920	11.1
60.93774	3.0
61.02912	10.5
63.73081	2.7
64.43419	2.8
69.03413	26.4
70.06588	4.3
71.04967	4.4
71.67442	2.6
73.02904	6.0
79.05489	10.3
81.03411	8.6
85.02894	82.1
86.09685	5.2
91.03936	6.6
91.05488	5.3
95.04971	4.3
97.02882	24.6
98.97567	13.8
99.04472	3.5
107.04944	56.8
108.05285	9.1
109.02872	8.1
116.98601	9.8
119.04888	3.9
121.06502	5.0
123.04443	6.7
127.03892	19.2
131.04935	3.3
131.63579	2.9
134.99623	4.6
135.04410	34.6
137.02345	5.1
137.05948	11.3
138.03125	6.1
145.04944	19.1
145.06522	3.4
149.05923	3.5
151.07535	3.6
153.05450	100.0
159.03317	4.1
173.06013	5.2
175.07533	3.1
192.05785	2.8
196.50319	3.9
237.11710	3.1
238.09315	5.5
239.07014	4.7
270.11414	12.2
271.83624	3.2
274.97333	4.8
292.94672	3.2
298.14371	7.9
299.11093	6.3
314.17508	8.8
315.07611	14.3
315.10553	8.8
315.14099	22.0
315.17813	61.4
315.21506	11.3
316.11963	5.0
316.15320	31.5
316.19043	17.2
333.08499	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	315.122
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
51.02364	0.4
53.03940	0.9
55.01863	2.6
55.05504	0.4
58.06580	0.5
59.93354	0.4
66.57047	0.3
77.03916	1.4
79.05486	13.3
85.87969	0.4
91.05470	2.8
95.04954	6.0
98.22697	1.1
103.05409	0.3
105.04486	1.9
105.07021	1.8
107.04941	100.0
108.05279	1.4
109.06532	0.4
115.05428	0.6
117.06958	0.8
119.04900	0.7
121.06466	1.0
126.55064	0.3
128.70934	0.3
131.04858	1.7
133.06462	1.3
135.08064	0.5
137.05943	0.9
138.03088	0.5
145.06430	0.7
151.07564	2.0
153.09067	0.6
155.07022	3.4
157.06445	0.4
161.05940	0.7
162.63882	0.3
163.03871	1.2
163.07516	0.6
165.05484	1.1
165.09091	1.3
166.02605	3.6
167.07002	0.5
177.05461	2.1
178.06178	0.9
179.07007	1.6
180.06520	0.6
181.04950	5.4
181.08543	2.4
184.03651	2.2
191.06993	3.2
192.04175	1.8
193.08546	0.5
194.05725	7.9
205.06468	0.5
206.05724	6.7
207.06497	7.9
207.08426	0.4
207.23582	0.3
209.08058	47.0
210.08400	1.2
221.08055	39.6
222.08495	1.7
237.09106	0.7
239.07036	0.4
265.08597	1.0
266.09106	0.4
267.06546	0.6
281.08035	1.3
282.08823	1.6
297.11176	75.6
298.11591	3.6
315.12216	39.4
316.08258	0.8
316.12531	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
58.06584	1.7
65.03933	2.1
67.05495	1.4
67.64407	0.3
69.07068	0.4
70.11501	0.6
70.11844	0.4
79.05491	2.8
80.05001	1.0
81.03397	0.5
81.05762	0.5
81.07042	1.1
82.06580	0.6
85.02896	1.1
86.09693	0.4
89.03895	1.0
90.27619	0.3
91.05467	2.5
91.40365	0.3
92.05002	3.1
93.05769	1.2
93.07027	4.0
94.06548	4.3
95.04953	1.3
95.07347	2.2
95.08584	0.9
96.08121	5.0
97.06538	0.7
99.04437	0.5
103.05446	1.2
105.04516	0.5
105.07026	0.7
106.06524	1.5
107.04931	1.3
107.08594	1.0
108.08105	11.2
109.02874	0.6
109.08926	0.4
110.06052	0.4
110.09669	8.8
110.69104	0.3
116.04995	1.0
117.05788	0.3
118.06535	0.7
119.07279	0.4
119.08596	0.4
120.04462	15.9
120.08092	8.2
121.06551	0.5
123.06824	0.4
124.07579	0.5
125.09684	0.4
126.09132	1.7
131.08559	0.4
134.06006	4.3
135.04414	0.5
135.11713	0.9
136.07562	19.7
137.07935	0.8
138.05492	2.5
138.09129	9.3
144.04411	1.9
147.11725	0.4
148.07573	5.2
152.07014	0.4
153.12746	0.8
154.08618	22.2
155.08842	0.4
159.07834	0.3
161.09628	0.5
162.05486	100.0
163.05847	2.6
165.12677	0.4
166.08626	21.9
167.08855	0.6
180.06631	0.9
184.09979	1.0
197.10738	0.4
198.11501	0.9
199.12263	0.8
202.99075	0.3
204.14442	0.3
212.09497	1.0
227.11789	3.0
245.12830	0.5
251.11845	0.5
255.06502	1.1
255.11269	2.8
269.12778	3.9
273.12238	2.2
287.13693	0.6
297.12326	9.9
298.12595	0.5
299.11121	0.5
300.11551	0.9
315.08609	1.9
315.13428	8.5
315.17801	2.2
315.21118	0.4
316.08331	0.4
316.13928	0.7
316.22546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22480	0.9
52.35715	1.1
56.92645	1.0
56.96570	1.3
57.07066	4.4
58.06593	7.6
60.04502	1.8
61.78362	1.2
62.06074	2.4
66.37345	1.0
67.05492	1.6
69.69703	2.1
69.70084	2.1
70.06579	1.8
71.08620	1.9
72.08141	1.2
76.96827	1.0
78.94225	1.1
81.03407	1.1
81.07035	1.7
82.95248	1.0
85.10122	1.0
86.88662	1.1
88.07600	1.9
93.07036	1.5
98.97574	1.8
105.07015	1.2
107.04930	1.4
107.08548	1.3
116.98606	1.4
121.10082	1.5
148.56569	1.1
168.55527	1.4
178.42436	1.2
195.11783	1.1
196.08542	1.1
258.27893	3.7
259.28247	4.2
299.10977	4.6
300.11969	3.2
302.49738	1.1
314.34180	12.9
315.14276	6.9
315.19275	100.0
315.34421	23.9
316.19537	7.0
316.31931	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	315.1929
Annotation	E-64c
Peak:m/z	Relative Intensity
60.04519	1.7
70.05742	1.6
74.06065	0.9
88.07620	2.8
89.85808	0.6
98.16673	0.5
106.08681	1.0
116.98559	0.5
270.27740	0.8
287.16870	0.5
315.19275	100.0
316.19568	6.2
316.28430	3.8
316.32031	1.8
325.43774	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.7
55.05502	42.7
57.03430	12.6
57.07069	29.8
58.06587	7.1
67.05494	50.4
69.07054	60.4
71.04971	3.0
71.08618	16.1
72.76089	1.7
75.04476	3.9
77.27516	1.8
79.05479	42.6
79.61763	2.0
81.07042	57.7
83.04963	4.2
83.08608	46.0
85.06525	3.7
85.10188	5.9
91.05480	6.3
93.07030	49.4
94.56757	2.0
95.04967	2.7
95.08591	36.7
97.06506	21.8
97.10152	19.6
98.97582	3.8
99.08089	2.1
103.03943	3.3
107.08579	35.2
109.10146	33.6
111.08057	11.2
111.11693	5.4
113.09638	3.2
115.07535	2.9
116.98625	3.1
118.77247	2.1
119.08549	3.0
121.02850	4.8
121.10123	75.3
123.11694	24.3
125.09633	5.1
125.13255	3.3
127.11211	4.9
129.05469	5.4
131.08478	2.1
135.11661	44.5
137.13214	3.4
139.11166	6.6
141.12747	2.7
149.13222	25.6
153.12726	4.6
163.14780	6.6
167.14270	3.3
188.03343	2.7
198.12170	1.9
205.19482	79.6
206.19843	2.3
223.20526	45.0
224.20866	2.5
241.21532	9.8
258.27951	3.1
297.24213	21.7
299.10986	6.0
300.11548	2.3
314.34125	20.6
315.07510	4.7
315.14148	8.5
315.19290	100.0
315.34439	33.2
316.07242	9.0
316.19559	4.7
316.32144	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	316.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78251	2.4
56.96553	19.1
57.95039	3.3
58.06590	20.0
69.03423	5.8
69.36801	6.8
69.37210	5.3
70.06584	5.2
84.08118	3.8
85.02901	11.7
86.09686	6.3
87.04453	3.2
91.05464	8.1
92.84151	2.1
97.02867	3.2
98.23443	5.3
98.97571	100.0
107.50683	2.3
109.02867	2.9
110.97523	3.9
116.98602	54.6
119.04901	5.8
121.06495	14.7
122.06820	9.3
128.98523	3.7
129.10287	2.9
130.93311	3.7
131.53297	2.6
134.99635	21.1
136.07530	5.0
137.05969	49.9
142.41295	2.6
143.67770	2.6
154.04956	4.3
154.08614	15.3
154.93370	3.4
158.99648	2.9
163.04007	2.7
164.07043	3.0
172.94312	13.8
179.95166	2.5
190.95415	13.5
202.98505	2.3
214.95407	10.2
220.02811	2.7
227.06792	5.8
232.96400	21.1
237.02953	3.0
250.97542	8.1
256.96426	9.5
259.08008	4.6
274.97479	77.0
286.97498	3.2
292.95102	5.1
292.98514	45.1
297.98959	3.2
298.14438	6.4
310.95633	4.1
316.07919	6.2
316.15222	14.5
316.19168	5.2
317.11926	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	316.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01895	0.1
53.03928	0.1
55.01868	0.2
63.02371	0.4
65.03925	0.2
67.05489	0.1
68.01366	0.2
68.99784	0.1
69.03418	0.1
69.34865	0.1
71.44256	0.1
79.05463	0.1
80.05003	0.2
81.03400	1.8
81.05788	0.2
82.04185	0.1
86.09690	0.2
86.72604	0.1
90.03438	0.6
92.04983	0.5
94.02946	0.3
94.06539	0.2
95.01321	0.2
95.08633	0.1
96.02095	0.3
97.06513	0.2
107.03676	0.2
107.08578	0.1
108.04457	0.1
109.02866	0.9
109.05226	1.0
110.03637	1.2
120.04433	0.3
122.06001	0.3
123.06792	0.2
124.07549	0.4
125.05967	10.3
126.06293	0.2
127.03909	0.7
133.24428	0.1
135.03107	0.6
136.03917	0.2
137.02313	12.1
138.02661	0.3
138.05495	0.7
143.11737	0.1
145.76804	0.1
150.05476	3.0
151.03908	0.2
152.07033	27.2
153.07382	0.7
162.01878	0.2
163.02667	0.2
164.03375	0.2
165.04184	0.3
166.04962	0.3
170.05972	0.1
171.06653	0.1
180.06516	100.0
181.01254	0.1
181.06862	2.7
188.07036	0.1
190.05070	0.1
198.05447	0.3
199.06230	0.3
200.06975	0.1
204.10156	0.1
206.04442	7.6
206.08124	0.3
207.04785	0.2
208.15834	0.1
214.08597	0.3
216.06479	0.4
226.04941	0.8
227.05658	0.3
228.06508	0.5
230.04434	0.2
230.51849	0.1
232.09671	0.3
234.07507	0.2
239.05844	0.1
240.06664	0.1
242.07997	0.5
243.05089	0.1
244.06012	0.8
244.47435	0.1
245.06743	0.2
248.05495	0.3
250.07037	0.1
254.04427	1.7
255.05234	0.7
256.05945	0.5
260.09137	1.3
266.06531	0.8
270.07538	2.2
271.07773	0.1
272.05466	1.0
272.09061	0.3
273.06177	0.1
282.03873	0.2
283.04666	0.2
284.05453	0.5
285.05899	0.1
288.08533	0.4
298.07016	2.4
298.21490	0.1
299.07266	0.1
300.04929	1.2
301.05643	0.6
316.08084	65.5
317.08466	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	316.081
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
54.03462	0.3
65.03926	2.3
67.04223	0.7
67.05491	0.9
68.99726	0.2
78.30913	0.2
80.04995	0.3
81.64993	0.2
82.02934	2.1
82.06559	0.7
92.04991	1.8
93.03397	1.2
95.03699	3.8
95.04955	9.2
98.22625	0.6
98.93985	0.3
107.01264	0.3
108.02077	0.7
108.04475	1.0
110.02395	1.9
110.03643	0.8
110.06027	6.0
111.04446	1.3
120.04493	1.5
121.01571	0.6
123.03149	9.3
123.04404	4.7
136.03894	0.6
138.05490	0.8
141.05447	3.1
151.02635	12.8
151.03879	45.1
152.02972	0.5
152.04208	1.0
153.01759	0.4
166.04973	95.6
166.65816	0.2
167.05328	2.1
169.03679	28.6
170.03992	0.7
177.00537	2.5
177.88387	0.2
191.68423	0.3
192.02898	14.6
193.03238	0.4
195.01605	5.0
213.04161	1.6
217.03778	0.5
217.83577	0.2
230.04333	0.5
234.03877	0.4
241.03596	1.7
245.03156	0.9
252.04944	0.7
256.11450	0.4
257.06854	0.6
260.05569	1.9
269.03104	4.5
270.03329	0.3
284.05435	1.1
286.03391	1.6
288.04941	0.8
301.05753	3.6
316.08099	100.0
317.08444	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	316.0812
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
54.03460	0.2
65.03636	0.2
65.03932	1.9
67.04233	0.7
67.05481	0.4
68.99778	0.2
70.77320	0.2
80.05013	0.4
82.02485	0.2
82.02927	1.6
82.06574	0.8
90.51038	0.1
92.04991	1.6
93.03382	1.3
95.03696	3.4
95.04955	8.4
96.05296	0.3
108.02055	0.7
108.04454	0.6
109.05235	0.3
110.02387	1.8
110.03571	0.8
110.06022	5.5
111.04420	1.2
120.04472	1.1
121.01568	0.6
123.03143	9.2
123.04400	4.7
124.03450	0.2
136.03911	0.6
138.05479	0.4
141.05441	2.8
146.02386	0.1
148.03914	0.4
149.01047	0.3
150.05574	0.1
151.02632	13.3
151.03871	45.6
152.03050	0.3
152.04228	1.2
166.04967	100.0
167.05321	2.5
169.03673	24.0
170.04051	0.6
177.00536	2.3
192.02879	15.6
193.03238	0.4
195.01599	3.9
213.04193	1.1
230.04485	0.6
240.02991	0.3
241.03635	1.4
242.04384	0.2
243.05144	0.2
245.06964	0.2
256.05859	0.2
257.06799	0.5
269.00342	0.3
269.03128	4.2
270.03485	0.3
272.09503	0.2
284.05466	1.1
286.03375	1.2
288.08847	0.2
301.05716	3.3
302.06110	0.2
316.08093	80.4
317.08441	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	316.0812
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
58.32660	0.2
62.28797	0.2
63.02362	0.3
75.74914	0.2
80.04991	0.3
81.03405	1.7
81.05785	0.2
90.03422	0.5
92.04987	0.4
94.02927	0.2
95.01334	0.3
96.02126	0.2
97.06503	0.2
98.97533	0.2
108.04403	0.3
109.02864	0.8
109.05280	0.8
110.03648	1.4
116.98565	0.3
120.00811	0.2
120.04433	0.3
122.06039	0.3
124.07557	0.5
125.05973	9.8
126.06258	0.3
127.03880	0.6
135.03108	0.4
136.03925	0.3
137.02313	12.3
137.04619	1.3
138.05495	0.5
142.54425	0.2
150.05475	2.6
152.07040	26.7
153.07410	0.7
156.01193	0.2
162.01784	0.2
163.02625	0.2
164.03362	0.2
165.04167	0.3
166.04964	0.2
171.06737	0.2
180.06523	100.0
181.06845	2.8
198.05452	0.3
199.06195	0.3
206.02490	0.4
206.04460	7.8
207.04720	0.3
214.08607	0.3
216.06567	0.3
226.04921	0.9
227.05753	0.4
228.06480	0.4
232.09720	0.4
234.07632	0.3
242.08070	0.5
244.06049	0.7
245.06783	0.2
248.05595	0.3
254.04471	1.3
255.05130	0.8
256.05963	0.3
260.09134	1.3
266.06622	1.0
270.07538	2.3
272.05551	0.8
272.08838	0.3
282.03946	0.4
288.08566	0.4
292.94412	0.3
298.07047	2.9
300.05127	1.3
301.05746	0.4
316.08099	58.4
317.08438	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	316.0811
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
53.03930	0.1
55.01877	0.1
57.51742	0.1
63.01416	0.1
63.02357	0.5
65.03932	0.2
69.03402	0.2
72.95021	0.1
73.13459	0.1
80.05002	0.3
81.03403	1.9
81.05768	0.2
90.03447	0.7
92.05006	0.6
93.07039	0.1
94.02949	0.3
95.01302	0.3
95.04978	0.1
96.02078	0.2
97.06524	0.2
98.23448	0.2
107.03665	0.2
108.04482	0.1
109.02859	0.9
109.05206	0.9
110.03644	1.3
120.04433	0.5
122.03613	0.1
122.06004	0.3
124.07570	0.3
125.05969	11.4
126.06319	0.2
127.03889	0.6
135.03078	0.6
136.03922	0.3
137.02313	12.7
137.04631	1.9
138.02698	0.3
138.05504	0.8
150.05475	3.3
152.07037	29.4
153.07402	0.7
163.00426	0.1
163.02640	0.4
164.03426	0.2
165.04181	0.4
166.04979	0.4
170.05966	0.2
180.06517	100.0
181.06850	2.9
189.07675	0.1
198.05441	0.2
199.06247	0.3
206.04456	7.2
207.04718	0.2
207.87668	0.1
210.57068	0.1
214.08601	0.3
216.06570	0.3
226.04907	0.8
227.05769	0.2
228.06453	0.3
232.06297	0.1
232.09648	0.5
234.07542	0.2
242.08109	0.6
244.06075	0.9
245.06702	0.2
248.05539	0.4
250.07022	0.2
254.04457	1.5
255.05197	0.8
256.05942	0.4
260.09131	1.3
266.06494	0.8
270.07574	2.1
272.05481	1.0
272.09171	0.3
282.03970	0.4
284.05475	0.3
284.84790	0.1
288.08582	0.3
298.07037	2.5
300.04974	1.2
301.05627	0.6
316.08093	66.5
316.22430	0.8
317.08478	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	316.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21446	0.3
81.03404	0.7
87.69555	0.4
98.23447	1.2
98.97600	0.4
109.02882	0.3
117.02053	0.4
121.02850	1.2
127.08503	0.4
128.04874	0.4
129.05719	1.0
132.04366	0.4
140.04984	0.5
144.04449	0.4
151.03862	0.4
152.12654	0.3
154.06476	0.5
155.04828	0.4
157.05203	1.0
158.05937	0.4
166.04945	0.8
168.04396	1.2
169.05153	0.9
170.05905	0.5
171.03131	3.0
172.03914	1.9
172.07626	0.5
174.03032	0.7
182.05974	1.1
183.04417	0.9
184.01596	0.4
184.07677	0.5
185.04681	5.3
186.05498	0.5
190.04982	0.5
196.03920	5.9
198.05511	0.7
199.02577	0.4
199.06273	0.6
200.03410	0.3
200.07011	3.2
202.02512	0.3
210.05482	1.2
213.04179	10.6
214.04839	0.7
217.03275	0.6
217.05284	1.7
224.03427	0.9
226.05083	0.8
227.05745	0.9
228.06519	24.5
229.04926	1.0
229.06857	0.8
242.04482	2.7
256.06009	15.8
257.06366	0.5
269.03192	0.8
284.05487	100.0
285.05817	5.5
302.06509	1.4
316.08130	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	316.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.05021	0.9
56.49824	0.6
57.07059	1.7
58.06577	1.7
60.04519	18.0
65.03918	1.8
67.05495	3.6
69.07045	1.7
70.06575	1.4
71.08604	0.9
73.02887	0.5
78.03476	0.6
79.05474	1.2
79.77126	0.6
80.04998	0.9
81.03415	0.5
81.07040	2.8
83.05003	0.8
83.08616	1.0
87.04450	7.2
88.07607	1.4
91.05470	0.9
92.96219	0.6
93.02147	0.6
93.07040	0.8
95.04951	3.1
95.08588	2.3
95.94040	0.6
98.97577	1.7
102.09162	1.1
105.07060	0.8
106.40324	0.5
107.08567	1.2
108.04485	3.7
109.05228	0.8
109.06511	0.6
109.10131	1.9
110.06033	0.8
111.04427	5.4
116.98597	1.7
119.08540	1.5
121.02853	18.3
121.03761	1.1
121.35923	0.6
122.02355	0.7
123.04428	1.4
133.06509	0.8
133.10078	0.8
136.03918	8.2
136.04875	0.9
137.09624	0.9
138.05484	20.4
151.03876	9.9
151.07489	1.7
152.03354	0.9
154.04948	5.7
164.03391	18.0
164.84496	0.6
165.04178	4.0
166.04977	100.0
167.05347	2.8
167.06543	0.6
168.06529	2.2
192.02884	9.6
196.06027	34.3
197.06818	4.5
207.13696	0.7
241.03670	1.5
253.51019	0.6
256.06000	1.8
256.26376	2.9
269.03058	0.9
271.89520	0.6
272.09216	0.8
280.26294	2.3
284.05655	3.4
292.95023	0.6
298.27396	2.6
301.05786	0.8
316.08105	47.7
316.22760	0.9
316.28430	14.5
316.32095	0.9
317.08414	1.8
317.21243	0.7
330.36722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76877	0.2
53.03934	0.3
55.01861	0.2
55.05476	0.2
55.55632	0.2
56.01583	0.2
63.86665	0.2
65.03931	2.0
67.04217	0.2
67.05162	0.2
67.05497	4.0
69.51999	0.8
75.74956	0.2
77.03919	0.5
78.53551	0.2
81.03432	0.2
82.02901	0.6
85.06552	0.2
92.05003	0.5
93.03381	1.1
95.03680	0.9
95.04958	2.9
98.97565	0.4
105.03363	0.2
105.04477	0.6
108.02088	2.8
110.02364	0.7
110.06035	1.5
111.03879	0.2
111.04449	2.0
120.04464	0.5
121.01617	0.6
121.02806	0.2
121.03982	0.7
123.03151	2.6
123.04468	0.2
125.04673	0.4
126.03152	0.5
136.01541	2.3
136.03896	0.5
137.02319	0.9
137.04729	0.2
142.25618	0.2
148.03859	0.5
149.01112	0.3
149.02307	1.0
151.02780	3.9
151.03877	100.0
152.04247	2.1
154.02588	3.5
165.04185	1.1
166.04977	36.8
167.03383	0.2
167.05304	1.1
168.02975	0.3
169.03685	8.3
177.00528	1.3
180.06564	1.4
192.02892	12.1
193.03185	0.4
195.01585	3.6
228.06671	0.3
230.04449	0.9
242.04471	0.2
245.06776	0.7
255.05156	0.4
257.06860	0.5
258.04062	0.2
283.04590	0.4
286.03424	0.2
300.05093	0.2
301.05777	4.3
302.06247	0.2
316.08099	90.1
317.08432	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	316.0813
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
55.01845	0.1
55.05508	0.3
56.05016	0.4
57.07067	0.2
58.06585	0.1
60.04516	6.0
62.15707	0.2
65.03934	0.4
67.04217	0.2
67.05480	0.6
69.07045	0.2
69.84744	0.3
70.06580	0.2
70.10773	0.1
74.06065	0.2
76.64108	0.1
78.03439	0.3
79.05479	0.3
80.01349	0.2
80.05011	0.2
81.07035	0.6
82.06557	0.3
83.04956	0.5
83.08582	0.3
87.04465	1.3
88.07605	0.4
93.07030	0.2
95.03673	0.4
95.04952	3.0
95.08561	0.4
96.02074	0.6
102.09127	0.2
106.02885	0.6
107.08565	0.2
108.02116	0.2
108.04418	0.2
109.10147	0.2
110.03615	0.2
110.06019	1.0
111.04424	7.1
112.04720	0.2
121.10147	0.2
123.03161	0.7
123.04398	1.6
123.11705	0.2
136.03912	3.8
138.05478	24.2
139.05777	0.4
141.05444	0.8
151.03877	11.4
152.04219	0.3
166.04967	100.0
167.05319	2.4
177.00514	0.4
185.04680	0.2
192.02884	9.6
193.03198	0.4
202.04926	0.2
213.04152	0.7
214.04951	0.2
219.05185	0.3
228.06462	0.7
229.07245	0.2
230.04410	0.5
241.03627	1.8
242.04352	0.2
243.83304	0.1
245.06815	0.6
256.06006	2.2
256.26294	0.6
257.06802	0.7
262.07089	0.3
269.03149	0.6
272.06363	0.2
272.09027	0.9
273.06207	0.3
274.06775	0.2
280.26263	0.7
284.05469	2.9
286.03351	0.5
288.08713	0.3
298.27567	0.7
301.05637	1.4
316.08093	53.2
316.28421	3.2
317.08383	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	316.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.01843	0.2
57.07068	0.5
58.06583	0.7
60.04508	0.2
65.03923	0.9
67.05496	2.5
70.06573	0.7
71.08607	0.2
71.21156	0.3
77.03924	0.2
81.07040	0.2
82.06555	0.2
85.05235	0.3
86.06091	0.2
88.07655	0.2
93.03398	0.4
95.04963	2.2
96.02107	0.4
98.97560	0.4
100.07565	0.2
103.97881	0.2
105.03361	0.3
105.04517	0.5
108.02088	2.0
110.06007	0.6
111.04428	5.1
112.07579	0.4
116.98563	0.3
121.01593	0.5
121.03973	0.7
123.03177	0.4
123.04421	0.3
126.03112	0.5
130.08597	1.3
136.01552	0.9
136.03917	5.0
137.02357	0.8
137.04680	0.2
138.05481	14.5
139.05817	0.3
151.03879	59.5
152.04231	1.6
152.07043	0.3
154.02567	2.7
165.04178	2.3
166.04970	77.8
167.05325	1.9
177.00514	0.6
180.06540	1.1
192.02884	19.5
193.03242	0.6
202.04843	0.3
216.06654	0.3
216.86063	0.2
228.06522	0.8
230.04468	0.8
245.06845	1.5
254.24870	0.5
256.05939	0.4
257.06760	0.8
272.09204	0.5
273.06305	0.3
284.05508	0.5
288.08728	0.4
298.06931	0.3
298.13824	0.2
301.05722	5.6
316.08099	100.0
316.28458	5.7
317.08459	5.0
317.28641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1541
Annotation	Oxycodone
Peak:m/z	Relative Intensity
58.06595	47.5
59.06907	0.5
61.40049	0.4
63.96349	0.4
68.33998	0.4
69.03411	1.0
69.36631	1.3
69.37026	0.7
70.06577	0.8
72.04510	0.5
74.06081	3.0
75.17983	0.4
81.03400	0.9
85.02879	2.4
94.06566	3.7
97.02876	0.5
98.06052	10.2
98.97580	1.6
111.04376	0.7
116.98591	0.7
122.24418	0.4
125.56561	0.4
137.02287	2.6
137.05916	0.4
143.04887	1.9
148.13414	0.4
153.06926	0.6
154.04948	4.0
155.08542	1.9
161.05910	0.8
165.06995	0.9
175.07559	1.9
183.08018	3.2
189.05533	0.6
193.06490	0.7
195.08041	0.8
203.07007	1.4
211.07495	3.4
215.10661	1.1
221.05879	0.6
222.09427	0.5
225.09204	1.0
238.06163	0.7
239.07008	5.2
240.07803	0.7
240.10196	0.5
243.10146	5.4
253.08653	1.7
254.11732	0.7
255.12526	1.2
256.13486	0.5
266.11575	0.5
268.13278	1.1
269.08148	0.6
270.14828	2.5
271.09729	1.4
274.97427	0.7
282.11255	0.5
283.11908	1.6
298.14392	5.8
299.14566	0.5
316.15402	100.0
317.12088	0.7
317.15695	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	316.1906
Annotation	Taxodine
Peak:m/z	Relative Intensity
51.89109	0.2
55.01869	0.2
58.06599	1.6
60.50631	0.2
67.05486	0.3
67.64840	0.1
69.03409	0.3
70.00245	0.3
70.00601	0.4
70.06580	1.6
72.08149	0.2
79.65551	0.2
80.88003	0.2
81.07046	0.5
82.06561	0.4
83.04975	1.0
84.08120	0.5
85.02909	0.4
91.05428	0.4
93.07025	0.3
95.08595	0.2
96.08114	0.2
97.02895	0.2
98.23308	0.2
98.97588	0.5
105.07037	0.4
109.06532	0.2
110.06104	0.2
110.09644	0.5
116.98634	0.4
119.01888	0.3
119.08590	0.2
122.09631	0.2
126.09126	0.3
129.06960	0.3
131.08563	0.4
134.99629	0.2
136.03915	0.2
137.05948	0.2
138.09109	0.2
143.08559	0.3
145.06474	0.2
145.10095	0.6
154.08591	1.5
155.06783	0.4
155.08563	0.5
157.10086	0.2
165.70975	0.2
167.08539	0.3
169.10092	0.4
179.08476	0.3
181.10176	0.3
183.11716	0.3
185.13260	0.2
189.12685	0.2
193.10123	0.3
195.11734	0.4
197.09569	0.2
203.05258	0.2
207.11685	0.3
209.13376	0.2
211.11115	0.2
214.83022	0.1
215.07607	0.3
221.13213	0.4
225.08965	0.4
225.16418	0.3
235.14758	0.3
239.10617	0.3
241.12190	0.2
243.10196	0.4
253.15962	0.3
263.14307	0.5
269.15482	0.2
270.14951	0.3
274.97473	0.2
281.15399	0.4
292.94702	0.2
292.98120	0.2
298.14493	0.4
298.17966	1.6
316.19028	100.0
317.12109	4.6
317.19373	7.3
317.23114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2267
Annotation	Bremazocine
Peak:m/z	Relative Intensity
58.06599	0.7
70.06561	0.2
81.07066	0.2
90.24147	0.1
91.17455	0.1
92.05038	0.1
93.07032	0.2
105.07070	0.1
107.04951	0.1
119.08595	0.1
121.10133	0.1
151.03847	0.2
165.41023	0.1
166.04953	0.3
185.13297	0.1
223.79842	0.1
256.06775	0.2
271.09555	0.3
298.21570	0.3
316.22644	100.0
317.22992	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	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05504	5.0
56.05027	4.2
57.03433	0.8
57.07078	1.5
59.98143	0.5
60.04517	100.0
61.04847	0.5
65.03934	0.5
67.05494	7.9
68.05022	0.9
69.07059	5.7
70.06590	0.9
71.08622	0.8
72.04512	1.4
74.06065	2.5
79.05494	3.5
80.05021	1.1
81.03351	0.5
81.07048	7.4
82.06572	1.5
83.04976	0.7
83.08604	3.4
86.06038	0.7
90.05523	1.1
91.05460	2.6
93.07046	3.0
94.06548	0.5
95.04955	0.9
95.08591	8.2
96.08092	0.6
97.10150	1.6
100.07610	0.5
105.07029	1.7
107.08578	1.3
108.04468	0.5
109.10159	2.7
111.11738	0.9
112.07578	1.1
119.08579	1.1
121.02892	0.6
121.10139	1.8
123.08058	0.6
123.11728	1.3
133.10162	0.8
135.11671	1.1
136.03894	0.7
137.65199	0.5
139.61357	0.5
149.13203	0.5
164.03424	1.1
165.04184	0.5
166.05016	0.6
185.13142	0.5
196.05998	2.3
197.06758	0.9
245.22533	0.7
250.25275	1.5
260.23550	0.5
262.25253	1.0
264.97006	0.5
268.26337	0.6
280.26303	12.4
298.27341	11.7
299.27710	0.7
316.08142	1.0
316.28409	33.0
317.28680	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	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.49957	0.2
54.62770	0.2
65.03930	0.8
66.57819	0.2
67.05491	0.2
67.70663	0.2
68.99789	0.7
69.03408	0.3
71.44398	0.3
81.03401	0.3
81.07028	0.7
90.22449	0.2
91.05456	0.5
92.02603	3.4
93.03397	2.9
93.07007	0.3
95.04947	0.5
95.08590	0.3
97.06476	0.2
101.64908	0.2
105.06954	0.2
107.08529	0.2
108.80265	0.2
109.02860	0.3
109.10136	0.3
111.00745	0.3
119.08565	0.3
120.02024	0.4
120.75719	0.2
121.02852	1.8
122.03679	0.4
124.01554	0.3
126.03101	1.2
131.08539	0.3
133.02863	0.3
133.10124	0.2
136.01608	0.3
137.02319	0.7
139.03900	1.6
149.02321	0.2
150.03081	0.3
151.03899	1.9
151.05023	0.4
153.01801	19.1
154.02150	0.3
155.04909	0.3
161.05948	0.3
163.03844	0.3
165.01851	1.2
166.02599	0.5
173.05949	0.4
177.05489	0.4
179.03407	0.4
183.02884	0.3
183.04361	0.3
187.03864	0.3
189.05525	0.3
200.04686	0.8
201.05458	1.7
203.03329	1.5
217.04926	3.5
218.05630	1.3
219.02892	0.8
228.04128	4.6
229.04924	8.5
230.05183	0.3
231.02805	1.0
239.03160	0.2
245.04402	4.3
246.05193	3.8
247.02327	0.3
256.03653	0.6
257.04398	4.7
258.04990	0.2
260.03079	0.9
261.07593	0.4
271.05963	0.4
273.03851	4.2
274.04651	7.6
275.05338	0.2
284.03098	0.8
285.03876	8.0
286.04398	0.4
301.03436	0.5
302.04147	24.3
303.04431	1.0
316.22739	0.6
317.06491	100.0
318.06821	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	317.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.4
67.05443	0.3
69.51721	0.7
69.52108	0.6
78.03440	5.9
79.04216	3.2
79.05428	0.4
81.07005	0.5
95.08540	0.4
96.04379	1.1
106.02899	20.8
109.10056	0.5
111.03110	0.6
125.01536	1.9
129.06837	0.4
131.18770	0.4
132.79381	0.3
150.05382	0.5
158.09511	0.3
167.06136	0.9
180.06473	0.7
196.06178	0.6
206.04491	2.2
207.13966	0.3
212.05757	1.2
213.06505	2.7
214.05017	0.6
224.05769	2.0
225.06398	0.4
240.05307	2.6
241.06041	18.0
241.09708	0.9
242.06708	0.6
253.67122	0.3
255.04024	0.9
256.04776	0.8
258.07559	2.0
261.32208	0.4
267.03970	1.0
269.05527	53.4
270.06250	12.7
271.06699	0.4
285.08652	100.0
286.08987	4.1
299.14023	0.9
317.11307	26.5
317.14966	1.7
318.11652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1227
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01855	3.4
57.03428	3.9
58.06614	3.4
58.48244	1.4
58.66271	1.3
61.02919	4.3
64.27421	1.3
65.03918	1.7
69.03413	6.7
71.34792	1.5
72.53893	1.2
73.02906	4.2
79.05480	3.8
81.03405	8.2
84.08142	3.1
85.02889	42.5
86.09738	1.6
87.04456	1.7
91.05466	29.9
93.07038	2.2
95.04955	1.8
97.02880	24.9
98.97570	4.4
103.03928	4.7
103.05454	3.7
105.07019	18.6
107.04922	2.0
108.39720	1.3
109.02890	2.3
115.03976	1.4
115.05459	8.7
116.98599	1.4
117.07006	4.7
119.04923	15.5
119.78114	1.5
121.06496	8.6
123.04411	5.0
126.58149	1.5
127.03915	7.8
128.06207	7.2
129.06981	18.6
131.04910	5.9
131.08556	1.7
132.54877	1.3
133.06461	18.7
137.05952	100.0
138.06352	1.7
138.09142	1.4
141.06996	3.8
143.04903	8.4
143.08559	4.2
145.04971	6.4
145.06406	7.0
147.04388	12.1
147.08022	3.3
147.27293	1.5
149.05946	14.2
151.07523	31.7
153.06964	3.1
155.07048	3.1
155.10786	1.6
156.10153	1.4
157.06454	16.3
159.04396	2.4
159.08038	3.0
160.05186	1.9
161.05959	25.8
163.03908	2.6
163.07533	2.1
165.05463	21.8
167.06996	8.4
169.06508	2.2
171.08035	5.4
173.05986	9.6
174.06754	3.4
175.07513	17.0
177.05495	5.4
179.06993	45.1
181.06462	4.0
185.05937	10.1
187.07541	3.3
189.05492	5.0
189.09109	2.4
191.07014	10.4
194.47787	1.4
195.06511	3.2
197.05927	2.1
199.07498	9.3
201.05412	2.3
203.05128	2.2
203.07014	43.8
204.07292	3.1
205.08560	7.0
207.06458	1.7
208.31136	1.4
215.07051	4.4
217.08560	10.1
219.06561	2.3
221.08022	11.9
227.07091	7.4
233.08148	8.2
245.08041	19.0
251.09196	1.9
263.09097	23.2
264.09268	1.8
281.10168	4.1
299.11273	3.2
299.14334	1.6
305.59674	1.5
317.11899	6.3
317.15491	3.2
317.19193	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	318.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.9
54.35944	0.5
55.22566	0.5
58.06573	0.9
68.99764	0.8
69.13268	3.2
69.13672	1.4
76.75742	0.5
79.05442	0.6
79.31857	0.6
81.07031	1.0
87.49211	0.6
90.68591	0.6
91.05479	0.6
105.03433	0.7
109.10148	0.6
111.04425	0.6
118.32916	0.7
119.08512	0.8
121.02906	1.1
132.04451	1.0
137.02327	2.0
146.05998	1.0
148.03909	2.4
156.04420	1.5
160.03894	3.1
162.05472	0.9
174.05569	1.0
178.04956	2.1
184.03897	1.3
186.05487	1.6
187.03909	1.4
188.03383	8.4
191.03346	1.9
202.04948	5.4
203.03343	1.8
206.04420	3.5
207.02950	0.8
212.03407	18.0
213.03871	0.9
214.04990	2.1
216.02931	2.0
219.02919	1.2
230.04437	51.1
231.02858	3.4
231.04991	1.7
232.02309	4.6
240.02882	16.7
241.01311	0.7
242.04468	5.5
257.07986	0.9
258.03943	52.7
259.02231	1.1
259.04630	5.6
268.02356	3.9
269.03238	0.7
271.09610	1.7
272.05533	4.9
272.73038	0.6
276.04794	1.3
286.03418	100.0
287.03894	5.5
300.04971	18.8
300.08060	0.7
301.05307	1.1
304.04449	15.9
305.04752	0.6
318.06042	16.9
318.13672	0.9
318.24146	2.4
319.06366	0.9
319.11749	1.0
341.38715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.097
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84138	0.4
65.03930	6.5
69.33327	1.8
91.05524	0.4
93.03397	2.5
111.04426	4.0
121.02849	100.0
122.03173	2.0
135.24254	0.4
138.05482	10.4
151.03883	0.5
165.11455	0.3
166.04970	96.1
167.05296	1.6
192.02861	1.8
198.07582	17.2
217.67790	0.5
286.07053	33.5
287.07431	1.9
318.24228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.05501	1.1
57.03419	1.6
58.06585	1.1
59.06927	0.6
60.82287	0.4
61.02911	2.2
67.05478	0.6
69.03416	5.2
69.07059	0.7
70.06596	0.7
72.08140	1.2
73.02919	0.6
79.05452	0.8
81.03423	2.6
81.07043	0.7
82.06569	0.6
83.04961	0.7
84.08151	0.6
84.10299	0.5
85.02896	10.3
86.09691	1.7
88.37813	0.5
91.03950	0.6
91.05440	0.9
93.07019	2.1
95.07367	0.7
95.08598	2.1
96.04482	3.2
96.08118	2.3
97.02889	3.8
97.05259	2.6
97.06512	1.1
99.04429	1.0
100.07588	1.5
103.05423	0.7
109.02869	2.2
110.06029	7.0
110.09666	3.2
111.08069	0.8
119.11253	0.5
120.04496	0.6
120.08101	1.0
121.04789	0.5
121.06492	8.8
124.07655	0.5
125.08351	0.5
126.09144	9.2
127.03889	2.9
137.02342	1.0
138.09122	20.6
139.07521	1.9
139.09488	1.1
145.04955	1.7
149.05998	0.5
154.05229	0.5
156.10182	100.0
157.10564	2.5
159.11290	1.3
168.10205	1.1
169.54047	0.5
173.12822	0.8
174.11261	1.7
180.10201	0.6
182.04485	1.2
198.11227	1.1
231.07678	0.5
259.11948	0.7
277.12906	1.4
286.06894	0.6
301.11417	0.9
302.12369	1.1
318.00046	0.5
318.06168	1.7
318.09830	0.6
318.13651	0.8
318.15149	1.2
318.20270	3.8
319.15485	0.7
323.87064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03411	5.3
58.81046	1.6
61.02923	12.7
69.03414	16.5
69.40192	6.2
71.60215	1.7
73.02904	4.8
81.03394	6.9
85.02889	100.0
85.84708	1.8
86.03239	2.3
91.03941	8.2
91.05461	2.7
93.07035	3.5
97.02872	22.1
99.04443	4.2
103.05452	3.8
109.02868	8.4
120.83160	1.6
121.06486	76.2
127.03886	19.3
133.46074	1.6
142.67822	1.6
145.04935	35.7
145.06139	2.9
157.06529	2.5
159.08046	3.6
162.05914	1.6
163.06018	7.6
175.07497	2.1
179.07053	2.4
180.08636	1.9
187.07489	16.5
201.09192	2.1
205.08545	7.6
217.08469	2.8
229.08569	5.3
247.09616	3.3
255.46988	1.6
265.10611	4.1
268.08994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
53.43390	1.8
55.01881	2.1
57.03423	6.2
57.55745	2.9
58.06591	23.2
61.02918	9.0
67.05492	2.8
69.03417	20.6
69.82073	6.9
70.06584	20.4
73.02895	3.3
81.03419	11.0
85.02891	100.0
86.09695	2.3
87.04433	2.6
91.03949	6.3
91.05472	5.8
93.07031	7.5
95.08608	2.5
97.02889	25.5
98.23399	3.3
99.04440	3.7
103.03950	2.1
109.02869	6.8
120.08063	2.3
121.05602	4.0
121.06491	79.5
127.03905	21.7
137.05869	2.6
138.05412	2.0
138.09079	2.3
145.04941	39.2
156.10164	4.0
159.07999	3.6
163.06006	6.8
165.05450	3.6
169.06430	2.3
170.54027	2.2
174.11226	5.8
175.07462	2.5
175.58223	2.2
179.07065	2.4
180.08675	2.9
187.07553	14.3
205.08534	10.0
221.09123	2.8
229.08614	8.4
282.20749	3.1
300.12256	2.8
300.15823	5.1
318.09741	4.3
318.13516	9.0
318.19409	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01881	3.5
57.03431	6.2
58.29931	2.0
61.02919	10.5
69.03416	18.3
69.33701	8.2
71.04990	4.0
73.02915	4.1
81.03416	8.1
83.27805	2.4
85.02895	100.0
91.03944	6.8
93.07031	6.7
95.99677	2.1
97.02879	24.8
99.04470	5.4
109.02883	7.4
121.06491	72.4
127.03912	16.4
145.04947	33.1
156.10205	3.2
159.08064	2.6
163.06020	6.5
173.78485	2.3
180.08643	15.5
187.07510	10.7
205.08588	7.8
216.32243	2.2
229.08598	4.6
265.10599	2.4
289.04245	2.5
319.13812	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	318.1697
Annotation	4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
55.01854	0.4
56.96558	5.6
57.03434	0.7
58.06594	2.3
60.30079	0.2
61.02916	0.7
67.05463	0.4
68.05013	0.6
69.03421	2.1
70.06570	0.3
70.83844	0.4
72.08148	0.7
72.29646	0.3
81.03403	0.7
83.04979	0.4
84.96027	0.4
85.02898	4.9
86.09707	1.0
87.04447	0.4
91.05459	0.4
96.04482	5.1
97.02884	2.0
98.97575	5.9
103.29375	0.3
109.02883	0.6
110.06038	0.3
110.97565	1.3
111.04427	0.5
114.05489	0.5
116.98614	2.5
121.06480	1.0
127.03889	1.3
128.98622	1.3
134.99648	0.9
138.05489	9.0
139.03854	0.5
143.00174	0.4
145.04973	0.8
146.99638	0.8
152.98621	0.3
155.08575	0.5
155.37149	0.3
156.06534	18.4
156.10130	0.6
157.01721	0.6
157.06856	0.5
157.13306	0.4
158.99680	0.6
161.01241	0.5
165.07010	0.3
165.32199	0.3
171.08153	0.3
175.02753	2.4
175.07507	1.4
177.00612	0.6
179.08533	0.3
180.06516	0.3
183.08043	0.4
185.16440	0.4
186.06746	0.7
186.09116	1.1
187.07513	0.5
189.09018	0.4
193.03799	2.0
197.09573	1.1
198.07599	0.3
199.02786	1.1
199.07547	0.3
200.08383	0.3
200.10652	0.7
201.09096	0.6
202.08568	2.4
203.09335	0.9
207.08006	0.4
209.09618	0.7
212.10620	0.4
213.09157	0.4
214.08626	0.8
215.10803	0.5
216.10194	0.9
217.03816	4.8
217.10716	0.4
218.11761	0.6
219.01805	0.6
225.09183	0.6
227.10744	0.4
228.10147	3.2
229.03862	0.8
229.08665	0.7
229.10905	10.0
230.11626	1.1
235.04874	0.9
237.02704	0.6
237.09152	0.4
241.12315	0.3
242.09454	0.4
242.11729	5.8
243.12262	0.8
244.13280	0.6
256.09732	1.8
256.13345	1.1
257.11667	0.7
257.14041	0.3
268.13162	0.4
269.70267	0.3
270.11316	0.8
272.16425	0.6
284.12717	1.0
285.13062	0.4
300.15894	100.0
301.16263	5.3
318.12238	6.5
318.16818	4.0
318.20541	0.8
319.06976	7.3
319.13495	7.2
337.08011	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	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52835	0.3
57.07070	8.0
58.06577	0.7
68.05029	0.3
69.11002	1.8
70.06585	16.2
71.08622	3.6
78.29347	0.3
84.08115	1.4
85.10164	1.2
86.09688	0.8
88.07619	15.9
88.74074	0.3
89.07975	0.4
98.22674	0.7
102.09164	1.3
106.08640	2.1
114.09152	5.4
118.08628	1.8
130.08588	0.5
132.10184	21.8
133.10539	0.5
148.09625	0.4
150.11230	17.0
209.95166	0.3
242.24832	1.6
256.26346	1.3
274.27383	5.3
275.27823	0.4
305.73871	0.3
318.29974	100.0
319.30301	5.1
333.02399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96339	2.2
56.96564	18.2
60.65453	2.6
67.20229	2.2
70.99955	3.1
95.87350	2.2
98.97572	100.0
102.96857	5.2
116.98608	69.7
116.99391	4.6
120.97868	3.3
134.99632	26.1
172.94376	3.6
179.00671	4.0
188.21950	2.1
190.95392	4.1
192.98811	2.6
201.51620	2.6
214.95383	3.0
216.98688	7.6
219.01767	2.7
230.93375	4.2
232.96429	6.9
234.99794	14.9
250.97771	4.7
254.93498	3.0
256.96439	3.2
258.99750	42.3
259.99890	8.3
263.02814	4.0
264.03055	6.7
270.91418	3.2
272.94418	12.7
274.97443	24.9
276.97968	2.3
277.00781	51.8
278.01044	11.6
278.96786	4.1
288.92068	3.5
290.95432	3.1
292.98514	11.3
298.97949	3.6
300.97604	6.5
316.98734	3.5
318.94943	4.7
318.98602	11.3
319.06638	4.4
336.95776	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	319.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05158	5.6
56.96564	100.0
58.06578	6.0
70.06606	5.5
70.30511	6.1
70.30844	11.9
84.08128	17.3
85.02866	7.6
97.02910	7.3
98.22794	7.2
98.97581	87.3
110.97515	16.1
112.99133	5.9
116.98624	41.2
128.98599	16.2
129.10246	6.4
130.93265	6.7
133.03433	14.2
134.99698	7.0
138.05489	11.0
139.05838	11.8
140.98526	6.5
142.05373	10.0
143.01855	8.1
145.01717	7.2
155.01826	6.8
157.01729	23.9
157.03397	12.4
157.06982	6.5
158.99655	9.2
159.04991	5.7
160.06454	14.6
169.03400	10.1
172.94325	7.7
175.02815	17.2
175.04385	11.4
177.00668	10.6
187.04559	8.1
188.05978	13.4
189.04390	8.4
196.87622	5.9
199.02753	26.6
199.04460	8.7
206.06876	15.9
208.02719	6.9
211.04449	6.6
214.95424	8.6
217.03799	23.2
219.01732	14.2
220.02927	10.8
221.04962	8.7
224.08029	17.7
232.96414	13.0
237.02852	18.2
252.86211	6.3
259.06696	40.4
274.97467	7.1
277.04947	12.2
277.07681	13.4
294.96341	19.2
297.33578	6.1
301.14493	10.6
319.07114	28.5
319.09845	96.8
319.15775	41.3
337.16516	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	319.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67325	2.8
56.96563	8.2
58.06586	2.8
62.00795	2.5
69.89082	8.1
76.13257	2.6
77.90568	2.9
82.76234	2.6
84.65415	2.6
94.36014	3.4
98.97589	5.6
119.01916	3.2
146.34995	3.0
186.99234	4.3
205.00195	3.0
207.32347	2.7
216.50163	3.3
245.06422	8.4
259.06598	3.9
279.35977	3.4
301.04623	2.8
301.08801	6.2
319.10330	100.0
319.13611	17.5
320.10519	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	319.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81326	0.4
56.04948	7.5
56.05243	1.2
57.04474	0.5
57.05746	1.3
58.06525	1.0
58.06781	0.4
58.45880	0.5
59.06046	0.5
60.05553	2.1
61.26791	0.4
69.04470	1.2
69.43212	1.4
70.06492	3.0
70.45198	0.4
71.04896	0.8
81.04464	0.4
81.06932	0.5
82.93173	0.4
83.05997	4.5
84.05539	0.5
85.02811	0.6
87.05511	0.7
91.05380	0.8
95.05975	2.9
97.03928	1.0
98.07110	0.4
99.07891	0.5
104.04911	0.8
105.03336	0.8
105.05682	1.3
106.06459	1.9
111.05551	9.6
112.04971	0.9
112.08633	1.0
113.05901	1.1
113.07107	5.0
113.09427	0.5
118.06453	0.8
120.04439	4.1
123.05408	1.7
124.04942	0.5
126.06611	4.7
127.07388	2.4
128.08067	0.7
130.06453	1.0
132.04428	17.5
132.05412	0.6
132.07973	2.0
134.05981	5.0
137.04535	0.8
140.08167	3.4
144.04179	0.6
148.03902	2.2
150.05455	7.6
151.06129	8.2
158.05879	0.6
159.09097	0.8
163.04886	0.6
165.06483	1.4
174.05391	0.9
176.07014	2.4
185.07039	0.6
187.08632	6.7
189.06485	1.9
190.04922	0.8
196.59441	0.5
202.09746	4.6
203.08124	5.6
216.11218	1.1
230.09216	4.8
231.07602	34.1
232.07886	1.4
232.10736	2.5
233.09094	1.5
233.13927	9.7
234.12309	0.7
242.09193	3.1
246.08646	1.7
249.13528	0.6
257.10297	5.4
259.11856	30.3
260.10202	1.5
260.12451	0.9
261.13043	0.5
277.12906	100.0
278.13211	4.4
284.11371	7.0
301.14053	1.9
302.12421	56.3
303.12775	2.8
319.15103	81.1
320.15402	5.0
320.22198	0.7
326.75299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	23.3
69.29709	3.6
84.96017	10.2
96.90923	0.6
97.96774	1.5
98.97566	100.0
110.97547	23.9
112.99121	2.5
115.00842	0.6
116.97755	1.4
116.98601	29.1
124.99100	2.6
126.97012	1.8
128.98587	17.6
131.00107	1.7
134.99649	5.4
140.98564	5.1
141.15506	0.7
143.00128	9.5
144.98085	3.7
146.99612	5.3
152.98572	10.9
155.00136	2.2
158.99635	14.3
161.01196	5.5
162.99141	1.9
170.99635	10.0
173.01303	0.9
175.99969	0.8
177.00688	12.5
177.04265	0.9
189.00699	3.4
195.01692	1.0
201.00673	3.4
201.04297	1.4
219.01712	25.4
219.05089	1.4
237.02777	33.8
238.03087	0.8
255.03755	1.7
261.06348	9.3
279.07465	81.9
280.07880	1.9
297.08521	15.4
321.08521	56.3
322.08856	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	321.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	27.4
58.06586	2.5
69.36613	9.3
70.06561	4.0
72.08129	2.1
84.08095	1.9
84.96028	11.8
93.95318	1.9
95.25554	2.0
97.62506	1.9
98.97572	100.0
99.54146	1.9
110.97559	24.2
112.07522	2.6
112.99150	3.6
116.98608	34.5
128.98590	22.8
131.00153	3.3
134.99614	9.1
140.98543	4.4
143.00154	7.3
144.98108	3.0
145.02853	2.5
146.99588	8.1
147.43298	2.0
152.97499	1.9
152.98579	12.4
158.99614	15.0
161.01210	6.3
162.99095	3.1
168.95645	1.7
170.99603	12.9
175.31999	1.7
177.00720	11.8
177.04195	2.5
177.05553	3.4
189.00659	4.1
201.00592	3.5
201.04445	2.3
218.99673	2.2
219.01733	27.6
237.02798	38.1
261.06403	10.6
262.49591	1.9
271.96176	2.1
279.07468	85.8
280.07813	4.0
297.08542	14.5
321.08902	81.2
321.14673	4.0
322.09424	2.2
322.16473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0942
Annotation	Flustramine E
Peak:m/z	Relative Intensity
51.09347	2.7
59.89616	2.4
65.16483	2.4
65.69230	2.5
70.70404	4.5
83.61113	2.5
95.06086	2.9
98.97586	3.7
111.05547	7.2
119.01945	5.3
123.05573	5.6
133.03479	3.4
134.50023	2.6
141.06612	9.0
159.04991	5.2
159.07674	6.7
165.63431	3.0
219.01778	3.0
261.08276	3.1
267.95554	2.6
279.09192	3.2
307.71677	3.0
321.11938	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48235	1.2
55.01848	2.0
58.06592	7.8
59.06928	2.3
67.01880	1.3
67.05495	2.3
69.03401	2.2
69.07054	3.2
70.06583	1.9
70.61948	3.0
72.08144	2.4
73.02901	4.3
79.05482	3.9
81.03411	5.8
81.07027	2.0
83.04982	1.9
84.59353	1.5
85.02896	2.3
88.28746	1.5
91.05464	5.2
93.07049	2.9
94.06554	7.5
95.04923	1.8
95.08591	1.7
97.06506	2.4
99.35149	1.3
104.04955	2.8
105.05759	4.8
108.08102	5.2
110.06013	2.4
111.04440	1.5
112.07557	7.4
116.21712	1.3
117.03415	1.7
117.05758	1.8
118.06522	17.1
120.04453	1.6
120.08096	2.9
122.06010	8.3
122.06811	2.2
124.07569	3.7
128.04958	4.2
134.06009	14.6
136.07555	16.5
138.09106	1.5
145.02824	4.5
145.07600	19.6
146.05991	13.2
146.08368	9.3
146.09579	2.2
147.04411	2.4
148.07552	4.4
148.11169	2.3
152.07047	12.8
158.09660	4.5
160.07562	2.1
161.07066	3.1
164.07040	19.8
166.08632	1.6
170.09554	1.9
172.11166	2.0
173.07089	96.6
173.10750	5.7
174.07884	16.5
174.11465	3.5
175.12344	5.2
177.05473	4.8
181.76845	1.4
182.08176	2.7
182.09686	1.3
184.09843	2.9
186.09120	2.6
187.08664	3.1
189.10199	35.4
190.10568	1.5
193.13306	2.4
194.04404	1.7
194.09705	2.5
195.01564	1.6
195.05568	1.4
195.09070	3.1
196.09929	10.9
197.10707	3.0
199.08502	1.8
200.10847	1.5
201.10297	7.7
201.13838	1.6
202.10976	21.6
203.11775	17.8
206.08351	19.0
209.07118	2.7
209.10736	2.7
210.11514	3.5
211.12265	15.4
212.10796	2.2
213.10065	1.7
214.12357	1.8
214.99969	1.3
215.11880	1.9
218.28734	1.5
220.09828	2.4
221.10683	7.6
221.12637	2.4
223.08592	7.6
224.09465	8.2
225.10088	1.9
227.08098	4.1
227.11679	2.1
229.09760	3.2
229.13301	10.7
232.11955	3.9
237.10211	4.6
238.10916	8.1
239.11772	25.3
241.09689	3.3
243.11278	4.9
244.12047	36.3
245.12654	2.4
247.14282	2.0
255.11212	2.0
257.12814	42.1
260.12811	4.3
262.13129	19.3
267.11240	46.2
268.11618	1.6
272.11533	2.7
273.11978	2.1
275.13879	28.9
276.14664	1.9
285.12305	77.3
286.12729	2.6
290.12561	21.5
293.14896	6.1
303.13339	67.5
304.08081	2.6
304.13754	4.1
309.51831	1.7
321.14420	100.0
322.09064	6.5
322.14804	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	321.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01867	10.1
55.05500	5.0
57.03432	10.8
67.05495	27.1
69.07060	100.0
69.07446	4.8
71.30854	2.2
73.47459	2.1
79.05481	38.7
81.03414	9.4
81.07050	32.3
83.04958	6.6
85.06527	2.7
91.05470	25.6
93.07028	26.3
93.10237	2.4
95.04948	12.8
95.08591	9.8
97.06535	11.3
105.03369	5.5
105.07014	14.4
107.04930	17.3
107.08598	14.3
109.06520	22.2
117.07028	10.0
119.08582	8.3
121.10147	15.4
123.67761	2.4
125.09572	3.8
131.08551	21.0
133.06502	7.8
133.10120	10.7
135.08041	10.5
137.09621	2.8
145.10124	6.0
147.11694	3.2
149.06012	6.4
149.09601	34.2
150.10034	3.1
151.11151	14.6
159.08046	5.2
159.11707	3.3
171.10075	11.6
177.09038	7.1
183.10164	28.3
187.11212	2.9
187.56863	2.8
189.00534	2.5
200.20049	5.1
201.16458	4.0
219.52783	2.5
230.18478	2.7
250.08714	4.1
279.08865	5.1
321.17178	3.6
321.20993	14.2
321.23718	20.0
321.73837	5.7
322.10794	15.0
322.23834	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	321.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04178	2.4
51.66679	2.0
53.03930	3.4
55.01847	6.8
55.05500	34.4
57.03436	38.8
67.05487	34.9
69.07061	18.0
73.06504	2.1
79.05478	39.1
80.05802	2.6
81.03400	5.6
81.07046	40.2
81.42379	1.9
83.04963	37.7
83.08614	10.8
85.06518	5.5
91.05460	42.1
93.07028	41.3
95.04960	21.8
95.08582	34.3
95.09134	3.7
97.06508	11.3
97.10139	6.7
99.04412	3.3
103.47086	2.8
105.07011	26.4
107.04938	39.3
107.08566	25.1
109.06492	30.9
109.10130	10.1
111.04425	19.3
111.08051	8.0
113.06002	3.4
117.07008	13.4
119.04876	3.0
119.08556	25.9
121.06480	9.1
121.10141	18.2
123.04406	3.6
123.08049	53.7
123.11675	4.5
125.06023	4.2
125.09587	6.9
128.06175	3.7
129.06979	8.7
131.08549	17.8
133.06454	6.5
133.10106	15.2
135.08054	18.4
135.11652	9.6
137.05885	3.4
137.09604	5.6
141.06987	2.9
143.08524	8.2
145.06456	8.2
145.10095	17.2
147.08009	9.7
147.11679	6.2
149.05919	4.6
149.09581	18.1
149.13226	2.8
149.95656	2.4
151.11115	4.7
153.06868	2.1
155.08524	6.5
157.10103	6.6
159.08022	9.1
159.11676	10.6
161.09598	6.5
161.13199	6.7
163.07471	6.3
163.11115	14.4
165.12677	3.2
169.10091	7.6
171.11647	4.0
173.09583	6.4
173.13173	4.1
175.11067	4.6
177.09030	2.4
177.12706	9.3
179.14272	38.2
180.14618	2.9
180.17392	2.1
183.11705	2.7
187.11191	5.9
187.14784	7.4
189.12680	3.4
191.14195	3.4
193.12151	3.4
197.13130	4.7
201.16336	2.5
205.15887	6.5
215.14244	7.3
217.14342	3.0
219.17377	8.5
225.16380	3.3
229.15675	3.4
233.15282	27.3
242.10587	2.4
243.17418	5.4
253.16014	2.9
257.18930	4.1
261.18494	15.4
265.17917	10.6
271.16833	19.6
275.19983	26.4
289.17947	32.4
290.18311	2.4
303.22977	3.7
313.24670	2.2
321.20709	5.6
321.24127	100.0
321.73566	2.5
322.10730	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	321.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.0
55.01863	16.9
55.05503	39.4
55.63622	3.2
57.03426	5.2
63.46754	4.1
67.05495	42.8
69.03421	6.8
69.07047	19.7
69.71095	12.0
71.04946	5.5
79.05484	65.7
80.94855	4.5
81.03392	9.4
81.07040	100.0
83.04964	6.8
83.08602	14.9
85.06559	3.4
91.05462	46.1
93.07039	44.0
95.04965	17.3
95.08589	30.0
96.19450	3.7
97.02908	5.1
97.06493	3.5
97.10155	15.9
105.07022	44.4
107.04932	33.2
107.08571	37.4
107.09229	3.6
109.02861	26.7
109.06491	40.7
109.10142	11.2
111.04451	4.0
111.08073	6.3
115.05442	5.3
117.06995	22.3
119.04946	4.2
119.08570	30.4
121.06487	15.0
121.10141	10.4
123.04427	6.2
123.08072	11.8
125.09631	15.3
128.06157	3.6
129.07002	5.5
131.08560	20.4
133.06459	5.8
133.10118	24.3
134.64098	4.0
135.08020	37.3
137.09604	6.2
143.08568	11.4
145.06461	5.9
145.10115	11.9
147.08043	6.5
147.11728	5.9
149.09578	8.1
151.11119	4.7
153.09067	13.0
159.08073	12.1
159.11752	4.6
161.09575	16.4
161.13177	3.2
163.07504	24.5
163.11125	4.2
171.11755	4.6
173.09666	5.0
173.13263	5.0
179.10629	26.5
179.14328	4.4
183.11653	5.1
189.09103	10.3
189.11133	5.1
191.10626	5.0
203.12749	3.6
207.10129	7.5
219.17372	8.7
243.17317	16.7
250.08656	4.1
261.18512	25.1
271.16925	12.8
275.20056	8.8
289.17941	72.0
290.18268	6.5
294.11252	4.7
303.23218	5.9
321.20657	5.7
321.24130	38.7
321.73801	8.0
322.10785	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	321.242
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
52.94548	2.4
53.03936	9.3
55.01863	54.7
55.05508	30.8
57.03415	3.9
57.07072	6.1
58.02952	5.0
67.05492	44.3
69.07060	35.3
71.04985	6.1
71.08624	12.1
77.03937	2.4
79.05483	40.5
81.03409	14.4
81.07045	67.6
83.04970	11.8
83.08598	11.8
85.06510	4.2
91.05470	38.6
92.22115	2.3
93.07036	41.3
95.04969	17.0
95.08588	38.8
97.06516	100.0
97.10161	8.3
99.08079	6.6
105.07014	48.0
107.04943	20.6
107.08569	30.9
109.06511	20.0
109.10169	15.0
109.10798	2.5
111.08066	5.5
117.07004	13.6
119.08545	32.3
121.06515	4.5
121.10150	13.5
123.08049	27.8
123.11697	5.3
125.09607	7.0
129.06973	3.4
131.08557	20.2
133.10103	33.1
135.07986	13.6
135.11641	16.1
137.09627	7.2
139.07448	3.4
143.08502	5.3
145.06459	4.1
145.10100	14.9
147.10577	2.5
147.11652	18.5
149.09607	19.9
149.13249	9.3
151.11147	7.5
159.11678	14.3
161.09651	3.1
161.13223	5.6
163.03755	2.6
163.11111	11.7
163.14861	3.4
165.09152	4.0
165.12709	8.9
173.13226	5.9
177.12756	8.7
179.14284	22.6
187.11200	6.2
193.12129	3.3
198.14888	3.6
217.14351	6.2
219.17484	8.0
224.20058	6.2
229.19380	3.3
247.20525	4.8
257.18921	6.5
265.17899	6.5
275.20029	70.4
279.08737	3.0
289.18097	4.3
291.23160	18.1
304.11896	2.5
321.24203	42.6
322.10690	4.4
322.27448	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1068
Annotation	Teliglazine
Peak:m/z	Relative Intensity
55.05499	0.9
60.84570	0.3
67.05485	1.1
69.07040	0.6
72.93248	0.3
79.05466	0.4
81.07043	1.7
90.80877	0.4
91.05482	0.7
93.07036	0.8
95.08591	1.2
99.08075	0.5
104.42673	0.3
105.07050	0.5
107.08600	0.5
109.10150	0.6
119.51108	0.4
133.10120	0.4
137.09662	0.3
193.93396	0.3
204.08072	1.0
208.07542	0.7
218.05876	0.4
219.06760	0.8
220.07547	5.5
221.08246	1.2
222.08969	0.7
229.15810	0.4
232.07581	1.4
233.08298	5.2
234.09004	1.6
235.06197	2.3
236.07053	6.5
237.07645	0.6
248.07021	6.2
249.05853	0.2
249.07794	7.9
250.08575	13.6
251.09219	1.2
261.07831	2.3
262.08603	4.6
263.05905	0.5
263.06418	0.6
263.09348	4.5
263.69833	0.4
264.06506	11.5
276.06577	1.2
277.07291	1.9
277.10928	1.2
278.08072	20.0
279.08838	17.6
280.09219	1.1
289.07162	0.5
290.08099	0.5
291.08862	17.1
292.05997	4.1
292.09366	1.6
293.07257	0.6
293.10434	4.3
294.11185	17.9
295.11575	1.1
306.07443	2.3
307.08276	3.6
321.23676	0.5
321.73746	0.8
322.10690	100.0
323.10876	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	322.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01864	11.7
55.05253	3.4
55.05503	49.5
60.86187	1.9
61.33820	2.2
62.06071	5.0
67.05495	7.8
69.07056	6.7
69.70584	4.4
69.70949	5.0
70.02928	4.1
70.06580	14.8
71.04981	23.6
79.05488	10.5
80.86375	2.3
81.07036	6.0
83.08596	16.6
86.06048	7.5
91.05444	3.5
93.07030	6.5
95.05017	2.6
95.08592	3.2
96.08111	6.6
98.09681	5.7
98.23423	2.6
98.73746	2.3
105.07006	3.0
106.06528	8.1
107.08559	4.3
108.08122	11.0
108.08817	2.5
109.05238	6.6
109.06467	2.9
109.10114	4.6
116.98582	2.1
119.08515	3.0
120.08138	4.0
122.05991	17.6
122.09631	3.4
124.07568	60.9
136.07556	50.3
136.08591	3.1
137.08342	7.3
137.09457	2.0
137.12003	3.5
140.07028	37.1
150.09131	5.2
150.12762	18.4
152.07019	22.0
153.07858	5.0
153.08997	2.8
165.11455	45.0
176.14276	3.8
178.12297	4.7
178.15950	4.3
194.15329	5.6
204.13904	13.6
206.15248	2.8
211.83138	2.2
222.14862	31.4
235.15479	2.2
247.16591	2.7
248.06935	2.1
250.08662	6.4
264.06509	4.4
278.08078	9.1
279.08789	8.3
290.18234	2.7
291.08862	5.3
294.11127	5.0
304.22665	100.0
305.20853	5.1
306.07678	2.1
321.73831	7.5
322.10696	34.4
322.23737	9.2
322.27103	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	323.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	10.3
71.42905	3.4
98.97569	100.0
107.97255	2.8
112.68475	3.4
116.98609	60.1
126.64365	3.0
134.99641	21.2
136.98448	3.4
167.44746	3.7
180.97820	14.0
198.98891	26.3
219.01814	4.9
240.98717	5.4
251.25671	3.1
258.99719	66.4
259.99930	3.8
261.03009	4.4
277.00778	81.3
277.03851	4.0
278.00900	7.3
292.98578	4.9
299.97781	3.2
322.98917	4.6
323.06412	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96309	1.4
56.96610	16.7
60.00272	0.8
62.06279	0.7
70.98137	0.9
71.04707	0.9
72.68728	0.7
84.82288	0.7
84.96027	6.3
85.02956	0.8
98.96966	2.8
98.97569	70.7
100.99110	3.3
110.97550	20.3
112.99131	5.3
114.97129	0.8
116.98608	20.9
119.00168	4.6
124.99175	1.6
126.97095	1.2
128.98590	16.2
131.00159	3.5
132.98146	0.8
133.01630	0.8
134.99696	3.1
140.98581	4.2
143.00154	6.5
143.01909	0.9
144.98169	2.7
145.01750	0.8
146.99648	6.0
149.01285	0.9
150.99155	0.9
152.98602	6.1
158.99625	14.0
161.01183	9.1
161.02286	0.7
162.05478	0.9
162.99196	1.5
165.00763	0.9
170.99632	8.6
173.01234	1.2
174.99228	1.4
177.00696	10.6
179.02318	2.8
188.97121	1.5
189.00685	5.2
193.00252	2.1
197.01247	1.6
201.00609	4.1
203.02164	3.8
207.01646	0.9
211.01117	0.8
215.02296	3.1
219.01726	37.1
220.02087	1.0
220.99751	1.4
221.03362	3.3
230.98103	1.0
237.02785	47.9
244.99738	0.7
255.03857	2.7
263.01382	1.1
263.04337	30.6
281.05402	100.0
282.05768	2.7
299.06488	1.0
304.06885	1.2
323.06519	27.7
323.10410	1.7
324.06946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	15.6
62.11236	0.6
69.60676	2.7
81.03337	0.7
84.96027	6.0
85.02865	1.3
91.35738	0.6
97.02855	0.9
98.22736	1.3
98.97572	70.1
100.99151	3.8
110.97555	21.9
112.99115	6.1
116.98608	17.7
119.00175	4.8
124.99041	2.0
126.96960	1.4
128.98593	14.9
131.00137	3.4
134.99609	2.4
137.01054	0.8
140.98555	4.0
143.00134	6.9
144.98000	2.3
146.99648	5.9
149.01155	1.2
152.98576	7.5
158.99625	15.0
161.01187	11.2
162.05466	2.0
162.99081	0.7
170.98259	0.7
170.99640	8.3
173.01189	1.5
174.99071	0.7
176.99265	0.9
177.00719	11.2
178.04903	1.4
179.02226	2.3
187.02762	0.8
189.00677	4.2
195.01697	0.9
197.01193	2.0
201.00700	6.0
203.02214	2.8
204.04729	0.7
212.26137	0.6
215.02121	1.5
219.01733	39.1
220.02042	1.2
221.03227	2.1
230.97983	1.0
237.02789	44.4
238.03244	1.7
242.07233	1.2
255.03847	2.6
263.04340	33.8
264.04773	1.2
281.05408	100.0
282.05750	3.1
295.06863	0.9
304.06848	1.2
323.06476	26.2
323.10019	2.0
324.06674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16408	4.2
51.52356	4.2
56.96560	5.6
63.18031	5.0
68.45170	4.0
69.35267	17.5
71.27594	4.6
73.06615	4.5
76.71654	4.0
97.53553	4.3
98.97598	18.7
112.89623	6.3
128.98636	5.0
143.01939	5.2
164.46809	4.2
186.15706	4.7
200.23886	4.5
219.01729	5.5
237.02867	7.5
248.89684	4.2
257.93283	4.7
263.04190	6.5
281.05463	14.5
323.07300	100.0
323.10907	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	323.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.06592	0.6
59.18827	0.5
69.67520	1.8
69.67840	0.5
70.06586	1.0
95.08078	0.6
98.97562	1.5
116.98599	0.7
121.06459	0.9
127.07562	0.7
130.19449	0.6
149.59367	0.6
162.05487	1.2
173.07024	0.7
177.05511	0.7
185.04205	0.8
219.01802	0.9
233.06612	1.2
237.02791	1.0
281.05447	1.6
291.09808	0.8
305.08755	0.6
316.53549	0.6
323.10968	100.0
323.44147	0.6
324.11270	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
55.05517	1.7
67.05486	1.9
67.62588	0.7
69.03442	1.5
69.07053	2.4
79.05473	4.8
80.05009	1.5
80.32366	0.7
81.05784	2.4
81.07055	3.2
82.06588	0.7
82.66322	0.7
83.04931	0.7
83.08604	1.0
85.02879	0.7
91.05467	2.1
93.07033	1.9
94.06576	1.1
95.04936	2.0
95.08606	1.6
96.08112	11.7
97.06512	0.9
105.06981	1.4
106.06558	1.5
108.72650	0.6
109.06509	0.8
109.10119	0.7
112.16461	0.7
116.04354	0.6
117.07063	0.8
121.10136	1.1
122.06026	2.0
124.07578	36.5
135.11610	0.9
136.07561	61.3
137.05936	1.0
137.07927	1.1
138.09119	2.5
140.07071	1.3
161.42697	0.7
164.07047	100.0
165.07362	3.6
170.72119	0.7
182.08112	80.2
183.08466	2.7
219.59290	0.7
248.08389	1.8
263.05963	0.9
265.08359	0.8
266.08121	2.1
281.10504	1.3
291.10144	2.6
293.08096	1.1
294.07584	4.1
306.13284	1.4
309.09927	7.2
323.13052	4.9
324.08575	1.8
324.12332	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1848
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.89012	2.8
55.01844	9.1
55.05502	18.6
56.69065	3.1
57.03411	11.1
57.07072	40.7
57.97615	2.9
59.04985	7.1
61.02918	3.3
65.03941	3.5
67.05489	46.7
68.99732	2.9
69.03067	3.9
69.03419	65.4
69.07063	28.3
71.04980	5.0
73.02891	7.8
79.05483	32.4
80.84563	3.0
81.03384	11.8
81.07041	50.7
81.34140	2.8
82.07369	3.4
83.04957	22.9
83.08592	11.7
84.05289	2.8
85.02888	18.9
85.06525	88.3
91.05470	38.0
93.07030	60.9
95.04943	35.6
95.08595	25.8
97.02849	19.5
97.06499	10.3
97.10120	4.0
98.10323	2.7
99.04426	7.9
103.03961	4.0
105.07008	49.3
107.04939	12.0
107.07931	4.0
107.08582	60.5
109.06504	30.3
109.10129	36.3
111.04414	25.7
111.08088	14.0
113.05990	43.4
115.03912	18.3
115.05398	5.4
115.07567	4.0
117.06988	12.4
119.04911	5.3
119.08562	55.0
121.06490	22.4
121.10112	61.5
122.05930	3.3
123.04427	3.4
123.08064	14.0
123.11700	28.2
125.05977	20.6
125.09589	11.6
127.07510	6.4
128.06180	6.7
129.06970	9.4
130.07779	4.5
131.08551	30.7
133.02843	3.4
133.06464	7.2
133.10112	42.7
135.04472	3.5
135.08026	23.2
135.11673	33.2
137.05960	25.3
137.09569	8.3
139.03871	11.1
139.07524	5.4
139.11092	4.4
141.05360	4.5
141.07001	3.4
141.38333	3.0
142.07698	10.5
143.07071	4.9
143.08525	24.0
144.05688	4.1
145.10097	38.5
146.07256	5.1
147.08005	14.1
147.11653	23.8
149.05869	4.4
149.09602	28.8
149.13255	8.2
151.07500	12.0
151.11166	9.4
153.09068	9.3
155.06985	9.9
155.08447	5.2
156.09268	8.2
157.10077	38.6
158.10809	3.9
159.08026	26.0
159.11671	18.7
161.05902	3.7
161.09586	28.4
161.13243	15.0
162.05482	6.4
163.11122	8.3
163.14796	13.6
165.09102	5.4
167.07085	4.1
167.10631	17.0
167.14267	3.2
169.10162	4.5
171.10260	3.0
171.11646	12.7
173.09561	15.4
173.13206	15.2
175.07516	3.8
175.11162	15.4
175.14796	10.1
177.05444	5.3
177.09059	17.9
177.12669	7.2
179.03462	2.9
179.10593	6.3
179.14244	3.7
181.10031	4.9
181.12123	4.4
185.09573	21.2
185.13159	5.4
187.11098	3.9
187.14731	5.1
189.09024	4.2
189.12700	9.4
189.16370	4.2
191.14264	19.3
194.04370	8.1
195.10175	17.6
197.13197	3.8
199.11174	14.7
199.14790	10.5
200.11960	3.8
201.12651	8.5
203.10675	9.3
203.14262	17.2
205.15858	6.6
207.13594	4.1
209.15231	7.7
213.11107	3.2
213.16374	3.5
215.14241	5.9
217.12198	6.5
217.15805	7.4
219.13760	6.4
221.11603	5.0
223.14856	3.8
229.15898	5.4
231.13670	5.1
233.15274	11.7
234.07530	4.2
235.13203	7.2
235.16875	3.4
237.14972	3.2
241.15785	17.6
242.08179	3.2
244.80057	2.6
245.15279	13.4
247.16885	5.1
248.08331	3.0
249.14871	4.6
259.16840	15.5
261.14783	5.7
263.16373	10.8
269.15286	10.4
275.16473	8.6
277.17917	11.3
287.16382	39.3
288.08606	25.0
291.10236	3.4
293.17181	3.7
305.11307	4.8
305.17386	47.5
306.09677	8.9
323.12433	8.4
323.18439	100.0
324.10623	8.3
324.18652	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45036	0.9
53.03931	1.8
53.83942	0.9
55.01864	6.1
55.05507	29.1
57.03424	2.0
57.07097	1.2
58.06592	1.7
59.04988	1.3
65.03922	1.1
67.05154	1.3
67.05495	18.1
69.03425	5.8
69.07059	17.9
71.04984	2.4
74.68806	0.9
77.03938	0.8
79.05487	16.7
81.03412	2.5
81.06621	1.5
81.07049	19.8
83.04964	2.9
83.08606	11.5
85.06526	1.6
87.04500	0.9
91.05466	12.2
93.07042	14.7
95.04961	6.7
95.08601	10.8
97.02888	2.8
97.06506	3.6
97.10159	22.1
98.97616	0.9
103.05524	0.8
105.07013	9.2
107.04961	4.0
107.07925	1.1
107.08584	12.8
109.02898	1.2
109.06544	1.9
109.10165	5.0
111.04416	1.1
111.08054	3.0
117.06997	3.5
119.08561	9.7
121.06507	3.4
121.10120	5.0
123.04398	1.5
123.08050	6.2
123.11697	1.6
125.09615	20.2
129.06967	2.9
131.08545	5.9
133.06494	2.9
133.10072	3.0
135.08031	7.4
135.11668	1.7
137.09592	2.6
138.76250	0.8
143.08562	2.1
145.10106	4.1
147.07994	4.2
147.11659	2.9
149.09558	1.8
153.09102	3.8
157.10109	2.2
157.12154	1.1
159.07971	1.0
159.11624	1.2
161.09584	2.4
161.13266	1.4
162.10374	1.5
163.11137	2.3
165.09102	2.9
169.10112	1.1
171.11583	1.4
175.11121	1.8
177.12666	1.4
185.09547	1.1
189.12650	1.0
193.12285	1.3
203.12770	9.9
205.12082	1.5
223.13234	9.9
224.13625	0.9
237.14821	2.4
245.18965	1.5
246.62302	0.9
249.14734	1.8
255.17636	1.4
263.19839	1.5
273.18451	8.1
277.00903	0.9
278.01001	1.1
281.10397	1.3
291.19501	100.0
292.19781	3.8
305.21045	24.3
306.21396	1.6
323.22168	6.2
323.25479	1.5
324.12180	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.0
55.01861	15.0
55.05256	3.8
55.05504	60.6
57.03423	7.8
57.07061	4.6
59.71115	2.8
65.03909	3.3
67.05158	5.0
67.05496	77.9
69.03407	8.1
69.07056	30.1
71.04977	9.2
71.08601	9.0
73.06527	3.4
79.05485	59.9
80.08720	2.6
81.03399	11.3
81.07045	100.0
83.01322	5.8
83.04970	83.4
83.08611	16.5
85.06511	8.0
86.26913	2.5
86.31777	3.0
91.05471	54.5
93.07031	69.1
94.07362	2.8
95.04959	19.4
95.08591	52.2
97.02868	2.7
97.06500	12.0
97.10143	7.2
98.22690	6.6
99.04443	6.7
99.08076	8.3
105.06339	4.3
105.07020	57.5
107.04916	17.7
107.08575	54.0
109.02843	4.1
109.06487	12.0
109.10140	50.7
111.04417	10.9
111.08084	12.5
117.06992	13.7
119.08566	22.4
121.06477	19.2
121.10111	15.9
121.49004	2.8
123.04401	8.0
123.08028	12.8
123.11707	18.1
125.05939	4.4
125.09669	3.9
127.07490	3.5
128.06113	4.5
129.06976	6.2
131.08521	18.5
133.06508	14.4
133.10112	82.0
135.08023	15.7
135.11687	14.9
137.05963	3.5
137.09599	9.1
138.42671	3.1
139.07526	11.6
143.08543	8.6
145.10109	14.4
147.08005	13.5
147.11633	15.4
149.09605	11.9
149.13281	4.1
151.11159	71.5
157.10118	3.6
159.08029	4.6
159.11674	4.8
161.09592	14.7
161.13261	7.5
163.11157	5.8
165.09073	10.5
171.11635	9.7
173.13297	4.0
175.11140	10.8
177.09084	10.4
177.12827	3.1
179.10704	6.4
183.13753	21.2
189.12729	3.9
193.12209	39.7
203.14313	4.6
227.17995	2.7
245.19035	18.6
255.17313	6.6
263.20062	16.6
273.18442	43.2
281.10486	3.6
291.19485	69.8
292.19812	4.1
294.07520	3.1
305.21158	16.6
323.11139	3.6
323.22089	35.9
323.25754	31.5
324.12265	3.9
324.22388	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
53.04173	1.9
55.01867	21.9
55.05501	55.4
57.03428	10.6
57.07063	5.4
58.06599	3.5
59.04984	4.0
65.03927	6.9
67.05494	87.4
68.20263	2.2
69.03411	8.5
69.07062	32.1
70.62453	2.1
71.04976	5.5
73.06557	2.6
75.10477	1.9
77.03930	2.5
79.05481	67.4
81.03407	5.1
81.07043	100.0
82.07350	1.9
83.01299	4.3
83.04970	54.1
83.08607	17.7
85.06527	9.2
88.09934	1.8
91.05467	63.5
93.07036	77.3
95.04955	23.8
95.08593	56.1
97.06515	13.0
97.10155	10.2
98.22694	3.4
99.04446	2.4
99.08099	2.6
103.05375	2.4
105.04526	3.4
105.07009	60.6
106.07288	2.0
107.04937	18.4
107.08578	52.9
109.02853	3.1
109.06487	19.7
109.10141	45.3
111.04427	12.4
111.08064	16.1
111.44894	1.8
115.05434	2.4
117.07005	15.4
119.08569	28.6
121.06494	21.3
121.10133	19.3
123.04426	9.6
123.08056	13.9
123.11692	13.9
124.63170	2.0
125.05994	4.1
125.09605	8.3
128.06204	3.4
129.06960	11.5
131.08557	21.3
133.06444	15.9
133.10107	78.1
135.08014	16.7
135.11690	15.2
137.05974	6.7
137.09618	8.9
139.07541	12.3
142.07770	3.3
143.08508	11.2
145.10080	20.2
147.08041	17.2
147.11662	15.1
149.09601	14.8
149.13234	3.1
151.07486	2.7
151.11156	62.5
153.09061	3.2
153.12714	3.8
155.08568	3.6
155.10626	2.3
156.09218	2.4
157.10106	8.2
159.08057	6.7
159.11650	7.7
161.09598	19.9
161.13214	6.6
163.11159	11.2
163.14757	2.4
165.09084	7.1
165.12808	3.1
169.10091	2.5
171.11629	9.4
173.09592	3.6
173.13223	3.8
175.11168	9.2
175.14818	2.2
177.09097	7.0
177.12714	4.7
179.10664	9.5
181.08643	3.5
181.12204	3.1
183.12082	3.2
183.13736	16.9
185.09738	2.1
185.13222	4.8
187.11145	3.3
189.12721	6.9
193.12160	2.2
199.11182	4.0
203.14294	4.5
207.13826	6.2
213.12752	2.5
217.12251	3.2
217.19554	2.7
219.66998	2.6
223.13206	3.2
223.41576	1.9
227.17998	4.4
229.14314	3.9
231.13768	2.2
240.42148	2.4
245.18993	19.0
255.17465	10.8
263.20059	18.4
273.18442	50.4
277.21667	3.8
281.10428	2.5
291.19501	91.2
305.21091	9.9
323.22168	36.1
324.12320	3.7
324.22586	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	323.2212
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03941	2.6
55.01861	20.6
55.05501	22.4
55.11994	2.1
57.03423	19.8
64.94958	2.6
65.03928	2.5
67.05490	38.9
69.03413	2.8
69.07046	9.2
69.22410	14.3
71.04965	7.6
77.64562	1.9
78.68238	1.9
79.05475	38.6
81.03416	3.6
81.07041	71.7
83.04964	36.0
83.08592	10.1
84.06412	2.0
85.02887	7.6
85.06526	16.2
91.05460	22.9
93.07029	34.3
95.04948	23.4
95.08570	12.8
95.48307	2.3
96.69945	2.2
97.06495	7.5
97.10146	7.5
99.04459	4.9
105.07001	15.2
107.04938	6.2
107.08569	19.7
109.06496	22.2
109.10143	11.0
111.04417	49.0
111.08045	14.7
113.05992	44.9
117.07010	11.9
119.08559	30.9
121.06486	10.0
121.10143	15.6
123.08021	11.8
125.09596	7.1
127.78139	2.0
129.06975	5.4
131.08534	15.1
133.06459	4.8
133.10117	5.3
135.08014	16.8
135.11650	17.0
137.09555	3.2
143.08533	4.6
145.10086	21.9
147.08000	14.6
147.11658	7.1
149.09584	6.5
149.29726	2.2
153.12692	18.9
155.08594	3.5
157.10075	6.6
159.11694	3.6
161.09593	6.1
163.11130	24.4
165.09097	5.6
173.09590	4.7
175.11206	3.4
181.12178	25.2
185.13145	2.5
187.11070	3.0
189.11230	4.5
191.10632	23.0
209.11763	7.6
217.15900	4.9
223.13132	5.3
225.28308	2.2
227.12727	33.1
249.14774	7.0
255.17363	5.4
255.47388	2.3
273.18420	34.2
291.19482	100.0
292.19754	5.2
305.21011	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01858	3.0
55.05252	1.6
55.05504	30.3
55.25637	0.9
57.03416	2.6
57.07065	1.2
59.04984	1.4
65.03934	2.1
67.05492	24.9
69.03419	2.8
69.06712	1.2
69.07059	13.6
71.04995	6.6
73.06537	6.0
79.05036	1.7
79.05476	21.6
79.79581	1.0
81.03404	2.9
81.07038	26.1
81.37485	1.1
83.04957	5.1
83.08607	13.1
85.06556	2.1
91.04930	2.1
91.05462	21.3
93.07039	18.7
95.04961	6.8
95.08594	14.7
97.06516	8.5
97.10150	11.7
99.08080	1.7
105.07011	14.1
107.04919	3.4
107.08574	12.0
109.05865	1.1
109.06481	7.0
109.10136	6.5
111.04406	8.6
111.08058	3.8
113.05992	2.8
116.06229	1.2
117.07008	7.2
119.08555	12.2
121.06476	3.5
121.10120	7.3
123.04415	3.9
123.08035	3.3
123.11673	2.4
125.05970	28.8
125.09625	8.0
129.06995	2.8
131.08536	6.7
133.06471	2.5
133.10121	9.6
135.08023	5.6
135.11673	3.9
137.05963	4.2
137.09622	3.4
139.07523	2.6
142.07793	1.0
143.08549	3.7
145.10117	4.9
147.08022	3.4
147.11652	5.1
149.09602	3.3
149.13219	2.0
151.07544	1.9
151.11148	4.3
157.10078	4.0
159.11711	2.0
161.09563	5.4
163.11214	2.8
165.12708	2.5
167.08626	1.4
171.11658	1.6
175.11176	3.9
179.10637	3.6
185.09605	1.5
185.13243	1.3
189.11195	2.2
189.12773	1.6
193.12158	6.0
194.02112	1.0
203.10605	1.3
210.09248	1.3
221.11638	1.5
223.13152	1.5
231.92107	1.3
235.13139	2.3
239.12714	2.3
245.18942	1.3
253.14296	100.0
254.14651	4.1
258.99686	1.3
261.22342	1.2
273.18509	5.1
281.10419	1.4
291.19452	7.1
305.20966	6.0
309.10004	1.2
323.10947	3.2
323.22119	72.0
323.25421	3.4
324.22379	3.3
324.25699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.86336	2.5
55.05503	16.2
57.03422	9.3
57.07065	4.1
58.06586	6.2
63.34148	2.3
67.05494	41.8
69.07051	15.1
69.21459	14.2
69.73423	2.1
71.04987	6.9
75.53118	2.1
79.05478	59.5
81.07047	43.7
83.04972	6.0
83.08617	5.2
85.06528	9.9
85.51228	2.3
91.05465	68.2
93.07033	76.7
95.04945	10.8
95.08601	34.1
97.06526	4.4
97.10138	2.4
98.23492	4.9
99.08066	4.8
101.05979	2.5
105.07015	73.8
105.07722	3.7
107.08581	44.6
109.06510	6.1
109.10127	12.8
111.08083	2.9
115.05408	3.7
117.07014	13.5
119.08566	67.0
121.06535	3.8
121.10132	41.8
123.08036	3.8
128.06239	4.3
129.05473	6.0
129.06979	14.2
131.08569	25.2
133.06470	3.2
133.10109	100.0
134.10474	3.6
135.08031	7.3
135.11688	29.8
137.09679	4.6
139.34593	2.2
143.08507	14.0
145.10104	31.7
147.08023	6.7
147.11665	83.6
149.09587	6.5
149.13251	6.7
151.11150	4.5
157.10097	22.2
159.11676	14.3
161.09648	5.5
161.13242	8.6
163.11182	3.5
171.11678	27.2
173.13223	7.0
175.11189	6.9
175.14807	3.6
185.13232	10.1
187.14793	12.6
189.12709	9.0
189.16373	30.1
203.14282	6.6
203.17914	27.1
213.16364	75.6
214.16742	5.5
231.17400	86.4
232.17793	4.6
249.18439	18.9
266.08109	4.0
273.69897	2.4
278.08261	2.9
281.10394	4.2
288.51678	2.3
305.20984	10.5
323.11185	5.5
323.16040	5.6
323.18668	4.6
323.21976	33.1
324.12286	9.2
324.16193	3.0
324.19437	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	323.2214
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.01860	4.8
55.05509	15.4
57.03424	3.2
57.07061	2.0
58.06580	2.6
59.04993	1.5
65.03938	2.0
67.05496	20.6
69.03432	2.3
69.07053	17.2
69.65635	1.4
71.04973	6.6
79.05482	25.2
80.05734	1.5
81.03387	2.1
81.07041	28.4
83.04964	6.6
83.08605	8.0
85.02892	2.0
85.06547	3.6
85.61590	1.4
90.56281	1.6
91.05461	27.0
93.07026	26.5
95.04958	7.2
95.08595	17.5
97.06515	7.1
97.10126	3.6
98.97571	2.5
99.08057	1.6
102.27585	1.3
105.07018	22.2
107.04911	8.0
107.08563	13.5
109.06474	11.3
109.10153	6.3
111.04428	4.3
111.08083	2.4
113.06013	2.6
115.05443	2.5
116.06120	1.5
116.98572	1.8
117.07028	10.8
119.04916	1.9
119.08550	15.6
121.06512	13.0
121.10113	8.4
123.04465	1.9
123.08031	6.9
125.05966	10.4
125.09606	2.8
129.06976	8.7
131.08539	22.2
131.51167	1.8
133.06473	6.6
133.10110	14.7
135.08046	8.3
135.11665	4.1
137.04884	1.6
137.05930	7.5
137.09593	4.0
139.07561	2.5
143.08548	5.5
145.06407	3.1
145.10135	12.7
147.08009	9.3
147.11674	5.8
149.09583	10.6
149.13165	1.7
151.07541	6.4
151.11157	3.2
155.08522	2.4
157.10101	5.6
159.08035	2.6
159.11661	5.3
161.09604	13.9
161.13245	3.6
162.10162	1.6
163.11119	7.5
165.09140	2.5
167.08553	1.9
167.10660	2.2
169.10194	1.6
171.11722	4.4
173.09590	1.9
173.13161	1.6
175.11148	11.4
175.79222	1.3
177.12698	2.3
179.10629	1.9
185.09735	2.0
185.13266	1.7
187.11171	2.3
189.12648	3.9
193.12227	2.5
203.14291	2.1
211.14912	1.5
213.12805	1.8
213.16257	2.6
221.15399	3.6
227.17903	2.6
237.14706	1.9
245.19040	3.6
247.17012	2.7
249.14636	1.5
255.17549	6.8
258.99811	1.8
266.07889	2.0
273.18451	22.3
277.21756	2.4
279.19467	2.0
287.19998	40.9
288.20380	2.2
291.19470	4.3
305.21060	100.0
306.21371	6.7
323.11157	4.7
323.22168	22.7
324.22394	2.2
332.38138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2213
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
53.03914	1.8
55.01860	5.2
55.05503	14.2
57.03429	3.3
57.07063	2.7
58.06591	2.5
59.04990	2.2
65.03929	1.4
67.05155	1.6
67.05496	22.9
69.03426	2.1
69.07058	29.9
69.07435	1.5
70.04956	2.9
71.04984	3.8
72.08157	1.2
73.06558	3.2
79.05483	22.0
81.03402	2.4
81.07045	22.7
81.07507	2.2
83.04974	6.7
83.08626	6.0
85.06530	4.2
91.05464	17.9
93.07030	25.7
95.04946	9.4
95.08586	20.2
95.72871	1.0
96.43020	1.1
97.06515	11.7
97.10151	6.5
99.08035	1.2
102.49384	1.0
105.07005	13.0
107.04944	8.6
107.08568	13.4
109.02860	2.5
109.06474	5.2
109.10142	8.8
111.04429	9.1
111.08061	2.1
113.05953	1.1
117.07003	4.9
119.08558	11.1
121.06472	3.7
121.10149	10.4
123.04411	2.2
123.08035	6.5
123.11716	1.9
125.06001	3.4
125.09612	4.7
129.06984	3.5
129.77966	1.0
131.08524	6.3
133.06477	3.5
133.10091	7.1
135.08063	2.9
135.11629	2.7
137.05988	5.3
137.09601	2.7
139.07504	2.2
139.11148	6.5
142.07765	1.8
143.08582	1.6
145.10100	3.9
147.08044	7.8
147.11685	4.6
149.09570	5.7
149.13211	1.9
151.07556	1.3
151.11235	1.3
155.45908	1.3
157.10138	3.3
159.11601	1.7
161.09592	3.1
161.13243	2.0
163.11143	2.8
165.09055	2.6
175.11139	4.2
177.12666	1.3
179.10695	1.2
179.81868	1.2
189.12758	1.5
193.12061	1.5
199.11113	1.2
203.12721	3.8
207.13803	2.2
209.15334	2.3
217.12360	1.1
245.18904	2.3
257.50845	1.2
263.20020	3.6
266.08084	1.3
273.18390	8.9
276.73721	1.1
280.09021	1.1
291.19531	9.3
295.22559	1.4
296.12485	1.1
305.21188	13.7
305.24457	2.1
323.11115	3.3
323.22125	100.0
323.25369	3.7
324.12332	2.0
324.22302	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	324.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.8
58.06554	0.4
58.98192	0.2
60.38387	0.3
63.86229	0.2
67.05466	0.7
69.07024	0.6
70.94667	0.3
79.05440	0.3
79.28175	0.3
81.06997	1.2
83.08575	0.6
91.05452	0.4
93.06979	0.8
95.08533	0.9
97.10138	0.4
105.07004	0.5
107.08515	0.5
109.10118	0.7
109.33452	0.3
111.08186	0.3
119.08519	0.4
125.09596	0.5
137.09549	0.4
165.06938	0.8
167.08569	0.4
175.14775	0.3
178.07724	0.8
179.04829	0.3
179.08473	0.9
181.06441	0.7
189.06944	0.7
190.07767	1.3
191.08525	1.2
192.07979	0.5
193.06491	1.1
195.07925	0.6
196.01801	0.3
197.08293	0.4
204.08014	2.8
205.06476	2.6
206.07249	0.6
206.09639	0.6
207.06085	0.3
207.08026	5.2
208.08815	3.1
209.05917	0.7
209.09549	0.4
210.09074	1.7
216.08015	0.7
217.08806	0.7
218.07256	0.3
218.09326	0.4
219.08014	1.0
219.10138	0.3
220.09151	3.3
221.06154	1.5
221.07973	0.7
221.09796	0.5
222.09090	12.3
223.07500	0.7
223.09473	0.5
224.08305	1.2
225.09013	1.1
231.06656	0.4
232.07523	2.0
233.06001	0.7
233.08278	1.8
234.09030	2.1
235.04408	0.3
235.07469	2.2
235.09869	1.5
236.08247	3.6
236.10664	4.1
237.11241	0.7
238.08562	10.3
239.08617	0.3
239.10826	1.9
240.10141	0.8
246.09070	0.4
247.07544	0.5
247.09859	3.4
248.06735	0.4
248.08192	0.9
248.10579	2.9
249.05424	0.6
249.07858	2.2
250.08577	13.0
251.10707	11.1
252.10457	1.1
253.11002	1.0
262.08685	0.4
263.09290	3.5
264.07745	1.5
264.10172	17.1
265.10934	100.0
266.08090	3.8
266.11298	5.2
267.10159	3.2
268.10031	0.5
268.13309	0.7
278.08899	0.4
278.11734	5.8
279.10049	4.8
279.12534	5.0
280.09668	1.8
280.12668	0.5
281.10413	16.0
282.10660	0.4
289.17850	0.3
293.10468	0.9
294.12524	5.4
295.09366	2.1
295.12390	0.4
296.12762	54.9
297.13077	2.7
306.11334	0.5
308.73856	0.3
309.09964	0.6
310.11951	2.2
324.12271	14.4
324.15750	1.0
324.19577	1.6
325.14490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59253	0.3
79.97180	0.3
95.08582	0.4
147.10471	0.4
153.06966	0.3
154.47220	0.3
165.06967	1.2
176.06149	3.9
178.07700	0.7
179.08511	1.0
189.06952	5.4
190.07716	3.9
191.08528	6.7
193.06485	1.1
193.08791	0.4
194.07253	0.6
195.08086	0.3
202.07683	0.4
204.05684	7.1
204.08051	6.8
205.06378	2.1
205.08360	0.5
206.07196	1.0
207.08025	4.1
208.08723	1.9
211.07501	2.3
218.07236	1.4
219.08018	73.3
220.08505	3.6
221.06064	8.3
221.08195	1.6
221.09726	1.5
222.06557	0.6
222.09064	0.9
223.07565	1.6
224.08299	0.8
232.05199	0.9
232.07555	2.6
233.05936	6.9
233.08305	2.4
234.06644	0.9
235.07550	2.5
236.08302	7.7
236.10664	0.7
237.08923	1.1
238.08678	1.1
239.06934	1.8
240.07712	0.4
246.06979	0.4
247.07509	39.5
248.08260	9.4
249.05545	7.2
249.07953	2.5
250.08243	0.4
250.10068	0.9
251.06990	2.1
251.10617	1.7
252.07712	0.7
252.10187	0.7
253.08591	0.5
253.10974	0.4
254.09352	2.3
255.10051	0.7
263.09354	0.3
264.07755	16.3
264.10236	4.3
265.08136	1.4
265.10947	1.4
266.09134	2.4
267.10153	3.8
276.06512	1.1
279.10114	100.0
280.10391	5.3
281.11844	8.2
291.08801	1.4
292.09537	0.4
294.07611	0.6
294.12473	1.1
295.09509	0.4
296.12772	36.0
297.13153	1.8
306.11212	3.8
309.09906	0.9
310.11960	0.8
324.12341	7.2
324.15991	0.7
324.19318	2.0
325.13803	0.4
337.60150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05469	0.3
69.03440	0.2
69.99689	0.6
75.16169	0.2
79.05440	0.2
86.09690	0.3
98.23387	0.3
105.06982	0.3
109.10154	0.2
132.83228	0.2
141.66905	0.2
165.06937	1.1
165.78886	0.2
177.06969	0.3
178.07774	1.0
179.04938	0.3
179.08583	1.2
180.09360	0.4
181.06464	0.8
182.07205	0.5
189.06938	1.0
190.07773	1.6
191.08531	1.9
192.07823	0.3
193.06468	1.5
194.07222	0.4
194.09708	0.2
195.08034	1.2
196.07370	0.3
196.08875	0.5
197.08112	0.2
202.07759	0.3
204.06302	0.3
204.08029	1.9
205.06438	2.4
205.08562	0.4
206.07184	0.7
206.09607	0.5
207.08029	5.9
208.08846	3.2
208.10921	0.4
209.05933	0.6
209.09344	0.5
210.07220	0.3
210.09055	2.0
211.07492	0.3
216.08008	0.6
217.08794	0.5
218.07263	0.5
218.09578	0.9
219.08046	1.5
219.10028	0.3
220.09053	3.9
221.05907	1.7
221.08263	0.9
221.09892	0.4
222.09084	13.4
223.07501	0.5
223.09578	0.7
224.08334	2.4
224.10435	0.3
225.09026	0.9
231.06683	0.4
232.07466	1.9
233.05946	0.5
233.08098	2.2
234.06883	0.5
234.09067	2.2
235.07471	1.9
235.09900	1.5
236.08252	4.6
236.10669	5.4
237.09108	0.3
237.11407	0.6
238.08568	12.3
239.10754	2.0
240.10170	0.7
246.09097	0.8
247.07561	0.2
247.09866	3.8
248.06938	0.8
248.08255	0.8
248.10565	2.8
249.05380	0.7
249.07867	2.3
249.11150	0.2
250.08586	16.0
251.10722	10.9
252.07837	0.4
252.10304	1.4
253.08568	0.3
253.11031	0.7
254.11520	0.3
262.08530	0.8
263.09378	2.8
264.07797	1.3
264.10172	19.7
265.10931	100.0
266.08090	4.1
266.11270	5.0
267.10196	3.0
268.13239	0.4
277.08676	0.3
278.09222	0.2
278.11703	5.7
279.10001	4.5
279.12521	5.8
280.09671	2.2
280.12634	0.4
281.10422	15.2
282.10733	0.5
292.10306	0.3
293.10593	0.8
294.12527	6.2
295.09415	2.3
296.12766	47.9
297.13123	2.5
306.11160	0.5
309.09933	0.8
310.11890	3.0
324.12256	12.7
325.14578	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01863	13.0
55.05505	4.3
56.96554	8.3
57.03430	10.9
61.02917	11.6
65.31133	1.9
68.94511	1.9
69.03419	44.0
70.43681	4.5
71.04977	2.7
72.08154	4.0
73.02918	5.5
76.01245	2.1
81.03403	5.5
85.02888	100.0
97.02878	36.4
98.06051	7.8
98.97566	8.4
99.04411	8.3
101.02387	7.4
104.56665	1.9
109.02877	9.0
114.10221	3.4
115.08697	4.7
116.98607	3.8
117.03354	2.9
127.03886	68.2
145.02817	10.2
145.04924	41.6
157.10806	19.4
163.05914	3.5
164.07040	32.2
177.05438	27.2
205.00179	4.3
237.02739	3.2
279.10321	3.2
283.05811	3.5
294.12460	6.6
295.09564	3.2
297.53534	2.2
307.17590	8.9
310.11902	3.7
325.07303	3.6
325.14697	5.1
325.18658	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01865	2.1
57.03216	0.3
57.03428	3.1
58.06594	9.5
59.04980	0.6
60.38792	0.3
61.02901	1.4
69.03423	17.7
69.16861	0.6
69.17267	1.2
71.01321	0.8
71.04984	4.9
73.02887	0.9
75.04459	0.5
81.03410	17.8
81.07037	0.7
85.02456	0.4
85.02895	4.3
87.04446	0.5
91.05470	1.1
97.02846	0.9
98.23438	0.6
99.04443	7.3
109.02885	0.3
110.56500	0.3
111.57877	0.4
113.13803	0.3
116.04932	0.9
117.05450	1.5
118.06526	6.6
127.03890	1.0
137.05927	1.1
145.04961	1.0
145.06454	0.7
145.07579	8.2
147.08022	0.6
147.09152	8.5
151.07507	0.4
159.09030	0.6
162.07828	1.0
163.03868	1.4
163.07431	0.4
163.08649	1.5
173.07088	12.2
174.07471	0.6
175.08641	7.5
187.08589	0.4
190.07384	0.5
191.08127	100.0
192.08479	3.4
199.08444	0.3
203.08217	0.5
205.09746	0.6
213.10211	0.3
215.11789	0.6
231.11307	0.7
233.09225	1.5
259.10687	0.4
271.10648	0.7
278.08237	0.4
289.11664	1.7
294.12607	0.4
296.09171	2.6
298.10553	0.4
307.12827	26.7
308.13126	1.3
310.68167	0.3
311.11459	6.6
325.13898	17.8
326.13885	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	325.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81098	0.2
69.35011	0.9
69.35403	0.4
71.94673	0.2
72.71659	0.2
74.82324	0.3
75.32128	0.2
105.74348	0.2
146.66687	0.2
147.50853	0.2
158.16269	0.2
165.06914	0.4
166.39830	0.2
177.06923	0.4
178.07747	1.0
179.08484	1.3
181.06310	0.4
189.06941	0.9
190.07706	1.1
191.08504	5.4
192.09308	0.5
193.06419	0.5
193.10164	0.5
194.07155	0.8
195.07925	0.8
196.08713	0.7
202.07668	1.0
203.08510	1.9
204.09009	0.3
205.06406	0.8
205.10056	0.5
206.07222	1.3
207.07988	3.7
208.08783	4.3
209.05893	0.8
209.09433	1.1
210.06667	0.5
211.07440	0.3
217.06450	0.7
218.07262	2.3
219.07990	6.7
220.08794	9.9
221.05933	0.7
221.09531	4.5
222.06651	0.3
222.10091	0.6
223.07733	1.1
223.11137	5.0
224.08246	3.2
224.11475	0.3
225.08936	0.5
231.08002	0.3
232.08891	0.3
233.05885	0.5
233.09581	4.3
234.06685	1.6
234.10172	1.0
235.07495	7.2
236.08264	19.2
237.05460	0.3
237.08940	3.1
238.06219	0.3
239.10669	3.7
240.10890	0.3
244.50980	0.2
246.06662	0.4
247.07523	2.1
248.04581	0.3
248.08249	2.1
249.09055	4.3
250.09818	2.9
251.06898	0.8
251.10640	22.2
252.07761	2.8
252.10925	1.7
253.08533	0.2
255.81679	0.2
261.09021	1.3
262.06210	0.4
262.09784	0.8
263.07108	1.8
263.10559	3.5
264.07751	3.0
264.11136	0.6
265.08383	1.1
265.10846	0.8
266.11414	2.9
267.10117	7.7
268.10443	0.7
277.08557	3.0
278.09253	1.8
279.10095	42.3
280.07199	1.3
280.10455	2.2
281.08008	1.0
281.11475	0.6
282.12613	0.3
293.11777	1.4
294.12439	100.0
295.09656	37.8
295.12839	7.3
296.10098	2.8
297.13062	1.4
310.11923	47.8
311.12244	3.0
325.14285	30.1
326.14655	2.1
329.86661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	0.6
67.05473	0.4
69.07068	1.3
69.21766	1.3
77.66822	0.2
81.07037	0.4
93.06992	0.3
95.08611	0.4
111.11688	0.3
137.05931	0.3
157.05441	0.2
165.06935	0.6
166.07777	0.3
178.07733	0.8
179.08446	0.8
181.06438	0.3
181.10112	0.4
189.06944	1.1
190.07729	1.2
191.08534	5.5
192.09204	0.9
193.06393	0.5
193.10114	0.4
194.07239	0.8
195.08015	1.2
196.08775	0.6
202.07730	1.3
203.08524	1.7
205.06422	0.7
205.10120	0.4
206.07335	1.3
207.07993	4.6
208.08786	5.4
209.05914	0.8
209.09505	1.2
210.06737	0.5
217.06474	0.9
218.07211	2.0
219.08008	6.5
220.08804	9.6
221.05911	1.0
221.09549	4.6
222.06715	0.6
222.10185	0.8
223.07529	1.0
223.11143	6.2
224.08315	3.5
225.08992	0.7
231.07977	0.5
232.08678	0.5
233.05942	0.7
233.09570	4.4
234.06721	1.7
234.10251	0.7
235.07513	7.5
236.08279	19.6
237.08981	3.3
238.06177	0.3
238.09808	0.5
239.10643	4.5
240.10982	0.5
246.06770	0.4
247.07523	2.2
248.08321	2.6
249.05344	0.5
249.09084	4.2
250.09805	3.1
250.83693	0.2
251.06842	0.7
251.10641	23.8
252.07751	2.9
252.10957	1.4
253.08626	0.3
261.09076	1.7
262.06210	0.4
262.09833	0.8
263.07098	1.6
263.10629	3.1
264.07761	2.6
264.11224	0.7
265.08371	0.7
266.09305	0.9
267.10153	8.3
268.10431	0.6
277.08563	3.8
278.09341	2.3
279.10114	47.5
280.07324	1.1
280.10510	3.4
281.08020	1.1
281.11609	0.7
291.09830	0.3
293.11621	1.4
294.12454	100.0
295.09656	41.6
295.12805	7.5
296.10056	3.6
310.11929	46.9
311.12265	3.3
325.14288	36.2
325.18347	0.5
326.14603	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	325.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.02979	1.0
55.05260	0.7
55.05502	11.8
56.01394	0.7
57.90625	0.7
60.05638	3.9
69.03404	1.8
70.06558	1.9
70.68941	1.2
72.04494	0.9
72.07737	0.8
72.08143	13.8
85.02861	1.8
86.03534	1.2
89.03902	1.4
89.44692	0.6
91.05457	1.4
97.07645	6.1
98.06040	37.3
113.10738	2.3
114.09148	3.9
114.10269	17.3
115.08677	16.6
117.03357	10.6
119.04928	1.0
131.12909	2.7
140.08199	0.9
145.02826	46.5
149.05983	3.6
151.07524	2.7
156.11275	2.3
157.10823	81.0
158.11176	1.1
164.07062	0.8
173.13977	5.2
177.05437	100.0
178.05775	2.5
232.12143	0.9
234.24414	0.7
236.10225	2.0
247.14384	4.5
248.12701	3.4
265.15662	0.8
272.68539	0.8
290.14923	13.2
307.17596	35.3
308.17856	2.2
311.11096	1.0
322.63623	0.8
325.18643	84.9
326.12109	9.2
326.18872	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	325.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84023	0.8
51.15461	0.6
53.03925	0.9
53.14436	0.6
55.01865	9.2
55.05502	21.6
57.03423	4.5
57.96481	0.7
58.06589	7.5
59.04974	1.1
59.46810	0.8
67.05152	1.2
67.05493	15.6
69.03403	4.2
69.07056	10.3
71.04974	2.8
79.05475	12.0
81.03411	2.3
81.07046	13.3
83.04979	5.7
83.08602	11.9
85.02891	2.6
85.06535	5.3
86.09700	0.9
91.05460	7.1
93.07020	9.7
95.04956	5.4
95.08575	6.2
97.02847	0.9
97.06521	4.4
97.10152	22.7
98.23507	1.2
99.08085	1.2
105.07024	2.8
107.04974	1.8
107.08569	9.1
109.06512	3.2
109.10149	9.9
111.04423	2.2
111.08081	2.8
111.11707	1.0
113.05984	1.8
115.05355	0.7
117.07001	1.8
119.08578	2.9
119.32984	0.6
121.06492	7.9
121.10136	1.6
123.08055	1.6
125.05984	1.6
125.09609	18.9
127.07557	0.9
131.08569	2.0
132.10204	0.7
133.10109	1.2
135.08022	4.0
135.11644	3.0
137.05978	1.1
137.09584	15.7
139.07498	5.8
139.11102	1.5
143.10623	0.8
145.06506	0.8
145.10094	1.7
147.11734	1.1
153.09091	2.9
153.12749	1.6
155.10680	3.9
156.02142	0.8
157.10069	1.2
159.08012	6.7
159.11652	1.0
161.09645	1.0
163.03900	1.5
163.07442	0.8
163.11153	1.2
165.07005	1.6
166.07631	0.8
167.08572	0.7
171.10179	1.3
171.11552	0.9
173.09669	0.8
177.09030	1.0
177.12741	0.9
178.07722	1.7
179.08490	2.1
181.06483	0.9
181.08572	0.8
181.10040	0.8
189.06879	0.9
189.11176	14.9
189.12793	1.1
190.07687	1.6
191.08502	6.4
191.10352	1.1
192.09084	1.0
193.10190	0.8
193.12135	1.6
194.07220	1.3
195.08122	0.9
196.08708	0.8
202.07700	1.4
203.08525	1.9
205.06441	1.8
205.08302	1.1
206.07159	1.9
207.08020	6.4
208.08650	6.0
209.09349	1.9
210.06728	0.8
211.13240	1.4
218.07228	1.7
219.07999	5.5
220.08792	9.2
221.06009	1.5
221.09676	4.2
222.06792	0.8
222.08978	1.4
223.09300	5.0
223.11552	3.7
223.13211	1.4
224.08183	3.9
225.08856	1.0
227.12633	0.8
233.09645	3.2
233.15347	1.6
234.06604	1.4
235.07440	6.9
235.16916	1.8
236.08267	19.9
236.10583	0.9
237.08890	4.6
237.11090	2.3
239.08896	2.9
239.10716	2.8
247.07530	2.7
247.09860	0.7
247.50977	0.7
248.08337	1.8
248.10513	1.2
249.09103	4.1
249.11188	1.0
250.05878	1.1
250.09660	2.8
251.10811	19.2
251.16432	2.2
252.07745	3.2
252.11006	6.2
253.15746	1.6
261.09061	1.3
261.18500	1.2
262.09763	0.8
263.06906	1.2
263.10751	3.7
264.07715	2.3
264.10086	1.4
265.08344	0.7
265.10675	10.0
266.11276	34.0
267.10220	4.9
268.10498	1.4
271.16879	3.2
277.08524	2.2
278.09262	1.1
279.10049	40.4
280.07535	1.5
280.09985	3.7
280.12903	2.8
281.07922	1.2
281.11438	1.0
282.10663	5.4
289.17899	9.9
293.11703	2.4
294.12442	100.0
295.09598	36.7
295.12808	7.4
296.09949	3.2
296.12973	1.5
297.13135	21.3
307.19058	8.7
310.11948	48.7
311.12231	3.9
325.14355	35.6
325.20337	2.2
326.10336	1.4
326.14053	4.1
326.17908	4.2
326.21051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84023	0.8
51.15461	0.6
53.03925	0.9
53.14436	0.6
55.01865	9.2
55.05502	21.6
57.03423	4.5
57.96481	0.7
58.06589	7.5
59.04974	1.1
59.46810	0.8
67.05152	1.2
67.05493	15.6
69.03403	4.2
69.07056	10.3
71.04974	2.8
79.05475	12.0
81.03411	2.3
81.07046	13.3
83.04979	5.7
83.08602	11.9
85.02891	2.6
85.06535	5.3
86.09700	0.9
91.05460	7.1
93.07020	9.7
95.04956	5.4
95.08575	6.2
97.02847	0.9
97.06521	4.4
97.10152	22.7
98.23507	1.2
99.08085	1.2
105.07024	2.8
107.04974	1.8
107.08569	9.1
109.06512	3.2
109.10149	9.9
111.04423	2.2
111.08081	2.8
111.11707	1.0
113.05984	1.8
115.05355	0.7
117.07001	1.8
119.08578	2.9
119.32984	0.6
121.06492	7.9
121.10136	1.6
123.08055	1.6
125.05984	1.6
125.09609	18.9
127.07557	0.9
131.08569	2.0
132.10204	0.7
133.10109	1.2
135.08022	4.0
135.11644	3.0
137.05978	1.1
137.09584	15.7
139.07498	5.8
139.11102	1.5
143.10623	0.8
145.06506	0.8
145.10094	1.7
147.11734	1.1
153.09091	2.9
153.12749	1.6
155.10680	3.9
156.02142	0.8
157.10069	1.2
159.08012	6.7
159.11652	1.0
161.09645	1.0
163.03900	1.5
163.07442	0.8
163.11153	1.2
165.07005	1.6
166.07631	0.8
167.08572	0.7
171.10179	1.3
171.11552	0.9
173.09669	0.8
177.09030	1.0
177.12741	0.9
178.07722	1.7
179.08490	2.1
181.06483	0.9
181.08572	0.8
181.10040	0.8
189.06879	0.9
189.11176	14.9
189.12793	1.1
190.07687	1.6
191.08502	6.4
191.10352	1.1
192.09084	1.0
193.10190	0.8
193.12135	1.6
194.07220	1.3
195.08122	0.9
196.08708	0.8
202.07700	1.4
203.08525	1.9
205.06441	1.8
205.08302	1.1
206.07159	1.9
207.08020	6.4
208.08650	6.0
209.09349	1.9
210.06728	0.8
211.13240	1.4
218.07228	1.7
219.07999	5.5
220.08792	9.2
221.06009	1.5
221.09676	4.2
222.06792	0.8
222.08978	1.4
223.09300	5.0
223.11552	3.7
223.13211	1.4
224.08183	3.9
225.08856	1.0
227.12633	0.8
233.09645	3.2
233.15347	1.6
234.06604	1.4
235.07440	6.9
235.16916	1.8
236.08267	19.9
236.10583	0.9
237.08890	4.6
237.11090	2.3
239.08896	2.9
239.10716	2.8
247.07530	2.7
247.09860	0.7
247.50977	0.7
248.08337	1.8
248.10513	1.2
249.09103	4.1
249.11188	1.0
250.05878	1.1
250.09660	2.8
251.10811	19.2
251.16432	2.2
252.07745	3.2
252.11006	6.2
253.15746	1.6
261.09061	1.3
261.18500	1.2
262.09763	0.8
263.06906	1.2
263.10751	3.7
264.07715	2.3
264.10086	1.4
265.08344	0.7
265.10675	10.0
266.11276	34.0
267.10220	4.9
268.10498	1.4
271.16879	3.2
277.08524	2.2
278.09262	1.1
279.10049	40.4
280.07535	1.5
280.09985	3.7
280.12903	2.8
281.07922	1.2
281.11438	1.0
282.10663	5.4
289.17899	9.9
293.11703	2.4
294.12442	100.0
295.09598	36.7
295.12808	7.4
296.09949	3.2
296.12973	1.5
297.13135	21.3
307.19058	8.7
310.11948	48.7
311.12231	3.9
325.14355	35.6
325.20337	2.2
326.10336	1.4
326.14053	4.1
326.17908	4.2
326.21051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2006
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03928	2.5
55.01866	4.6
55.05503	8.7
55.73744	0.9
57.03432	6.1
58.06593	18.3
65.03925	1.6
67.05494	20.7
69.03416	4.0
69.07059	6.4
71.01333	1.6
71.04972	2.7
77.03877	0.9
79.05480	36.2
81.03403	5.2
81.07044	100.0
82.07376	1.4
83.04971	6.0
83.08598	3.7
85.02882	1.5
85.06545	2.3
85.38918	0.9
91.05465	16.2
93.07030	25.2
95.04949	9.5
95.08592	22.5
95.09203	1.5
97.06514	16.9
97.10146	2.6
99.04434	2.1
99.08083	1.1
105.04502	0.9
105.07009	8.3
107.04925	3.3
107.08568	10.6
109.06503	61.7
109.10129	7.0
110.06837	1.3
111.04425	1.2
111.08067	11.0
113.06010	1.8
117.07005	3.3
119.08608	5.9
121.06489	3.1
121.10123	17.2
123.08054	8.2
123.11713	1.5
125.09646	1.5
128.87465	1.0
131.08539	4.5
133.06473	1.2
133.10098	9.7
135.08020	2.6
137.06024	1.7
137.09608	4.2
139.07513	2.6
139.11140	4.0
139.53525	1.0
141.09067	3.2
145.06439	1.1
145.10141	2.4
147.11699	1.4
149.09607	5.8
151.00481	0.9
151.07584	1.2
151.11150	4.8
153.09090	2.2
159.08002	2.4
159.11673	2.0
161.09605	3.6
167.10664	9.1
173.09550	1.2
173.11798	1.2
177.12660	1.3
179.10593	2.7
191.08469	2.2
207.08008	1.6
208.08846	2.2
219.08064	2.6
220.08818	4.3
221.09520	1.9
223.11235	1.7
233.09544	1.4
235.07449	2.4
236.08237	8.6
237.08949	1.3
239.10654	1.2
243.17299	1.2
248.08067	1.5
249.09111	1.8
251.10670	6.9
252.07703	1.8
261.18451	5.1
263.10791	1.8
264.07605	1.7
267.10339	2.2
271.16855	4.4
278.09525	1.2
279.10135	17.4
280.10382	2.1
281.08072	1.0
289.17975	9.7
294.12445	42.6
295.09607	15.1
295.12820	3.2
296.10028	2.1
307.18930	3.5
309.09637	1.1
310.11972	18.9
311.11780	2.5
325.14453	13.2
325.19897	12.4
325.40457	1.2
326.10266	2.9
326.13919	5.1
326.20392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
53.03934	3.3
55.01863	14.6
55.05508	25.2
57.03438	10.1
57.07080	2.9
58.06590	50.6
67.05495	40.8
69.03435	4.5
69.07067	10.9
70.52737	2.8
71.05022	2.9
79.05482	33.5
81.03413	5.2
81.07047	36.5
83.04972	17.3
83.08617	11.0
84.31608	2.3
91.05473	34.5
92.38954	2.6
93.07030	25.9
93.07507	2.4
95.04955	48.1
95.08598	20.1
97.02873	2.9
97.06503	3.1
97.10184	7.8
97.73560	2.5
99.04498	2.5
105.04519	2.6
105.07003	23.2
106.13126	2.4
107.04932	34.1
107.08570	17.4
109.06516	28.4
109.10152	17.5
111.08066	2.8
112.05229	7.5
117.07018	8.2
119.08561	15.1
121.06500	7.1
121.10151	7.1
122.07253	15.9
123.04453	3.8
123.08063	4.3
125.09637	5.7
129.07053	6.8
131.08562	13.6
133.06508	11.4
133.10135	8.1
135.08072	9.2
135.11720	6.3
137.09589	39.4
143.08572	3.8
145.06511	7.2
145.10147	7.6
147.08009	14.5
147.11713	3.3
149.13185	4.1
159.07967	3.1
161.09598	11.7
163.11191	3.4
169.10013	2.7
173.13257	6.1
175.11232	3.8
187.14890	3.6
189.11230	4.2
191.08565	6.4
205.15717	4.0
207.08080	4.3
208.08745	4.9
215.14423	4.8
219.07956	4.9
220.08817	9.3
221.09575	3.4
223.11261	6.6
233.09680	5.1
233.15312	28.1
235.07513	6.1
236.08276	19.5
237.08798	5.6
239.10840	4.0
242.70700	2.9
247.07471	2.7
248.08421	2.8
249.09253	3.8
250.09943	3.7
251.10632	20.5
252.07858	4.8
253.08540	3.0
261.14835	3.7
262.19174	3.4
263.10889	4.2
266.08163	4.8
267.10239	3.2
277.08722	2.7
278.09311	3.9
279.10135	38.4
280.10519	3.7
281.08105	3.1
290.18756	5.7
294.12445	100.0
295.09753	33.7
295.12827	8.1
296.09601	5.1
298.46585	2.9
298.85144	2.6
310.12030	46.2
311.11914	5.9
325.14478	27.4
326.10284	6.1
326.13986	16.8
338.26019	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	325.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01859	1.5
55.05500	14.9
57.03431	6.8
57.07064	9.1
58.06593	1.2
63.57851	0.8
65.03943	2.5
67.05493	100.0
68.05821	1.1
69.07056	11.7
69.25353	4.2
71.04985	4.9
71.08630	1.6
74.64783	0.8
77.03944	2.0
79.05119	0.8
79.05480	56.3
81.07043	98.1
83.04959	2.0
83.08604	6.8
85.06532	6.0
91.05465	29.5
93.07030	76.0
94.07359	1.2
95.04957	7.1
95.08588	66.0
96.05274	0.9
96.08939	1.5
97.06512	5.1
97.10177	2.7
98.22710	2.2
99.08078	7.9
105.04536	2.0
105.07019	18.6
107.08576	45.0
108.08902	1.5
109.06510	2.8
109.10136	40.4
110.10486	1.3
111.08058	3.2
111.11643	1.0
113.06044	0.9
113.09650	5.1
117.06999	14.0
119.08562	17.5
121.10127	56.5
121.49492	0.9
122.10518	1.5
123.08060	2.0
123.11691	29.6
124.12039	1.2
125.09612	2.8
127.09998	0.9
129.05363	1.1
129.07031	1.4
130.07675	1.1
131.08546	21.3
133.10110	23.2
135.08051	2.1
135.11673	61.5
135.43527	0.9
135.73302	1.0
136.12001	2.4
137.09584	4.5
137.13240	7.6
139.11185	3.4
145.10110	18.6
147.11659	14.7
149.09549	4.7
149.13234	28.4
150.13603	1.4
151.11218	3.0
153.12735	1.1
158.10828	1.4
159.11670	22.9
161.13223	4.4
162.63800	0.9
163.11163	4.1
163.14761	2.0
173.13223	18.3
174.13513	1.4
175.14809	2.9
177.12741	2.9
181.12297	1.1
187.14751	5.1
189.16365	3.7
191.17955	2.2
205.15887	3.7
205.19484	16.6
215.17920	54.4
216.18221	2.4
233.18962	79.4
234.19344	3.0
251.20035	9.2
279.10284	1.4
294.12466	2.6
307.22556	8.6
325.23630	20.7
325.29047	1.8
326.24017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.40466	1.6
55.05505	18.1
57.03432	8.2
57.07077	9.7
57.92079	1.8
58.06591	14.1
63.09251	1.6
63.90095	1.7
64.06609	1.7
65.03930	2.6
67.05495	97.1
67.13155	1.6
69.07053	15.7
69.24358	3.0
69.24761	6.1
71.04978	7.0
71.08616	5.0
75.65476	1.5
78.01135	1.6
79.05481	71.5
81.07046	100.0
81.73163	2.0
82.95483	1.5
83.04971	2.8
83.08613	7.6
84.16768	1.9
85.06527	6.9
91.05468	34.6
93.07032	92.7
94.07341	2.2
95.04977	11.3
95.08593	62.5
97.06524	5.0
97.10171	3.3
99.08076	10.3
105.07008	26.0
107.08578	56.4
109.06510	5.4
109.10135	42.0
111.08060	2.8
113.09626	4.1
117.06999	17.6
119.08582	18.7
121.10126	67.1
122.10474	2.0
123.08049	3.6
123.11691	29.7
125.09589	4.2
125.46707	1.6
129.06982	1.9
130.07808	3.2
131.08554	28.8
133.10107	26.5
134.73134	1.5
135.08031	4.0
135.11674	65.3
137.09589	2.4
137.13225	6.6
143.08554	2.2
145.10112	24.7
147.11665	18.2
149.09665	3.6
149.13249	30.8
151.11121	3.5
159.11679	28.3
161.13229	7.2
163.11156	4.6
163.14807	3.3
165.12744	2.4
171.11633	2.2
173.13277	15.2
177.12726	3.4
187.14786	5.6
189.16335	3.9
191.08403	2.2
193.04922	3.0
202.52693	1.8
203.49814	1.8
205.15839	3.3
205.19472	18.6
215.17921	59.2
215.20000	2.9
216.18210	2.9
219.08012	2.6
220.08755	2.3
231.66229	1.9
233.18968	94.2
234.19318	4.5
235.07452	2.0
235.20543	1.9
236.08232	5.6
251.10698	5.8
251.19987	4.1
279.10074	9.5
291.23108	2.9
293.15240	2.3
294.07581	2.0
294.12476	25.3
295.09720	9.5
295.12494	1.9
307.22729	4.9
308.25845	4.5
310.11978	13.9
325.14359	7.0
325.23434	17.3
325.29227	2.9
326.13956	5.2
338.55777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53044	7.1
55.01852	11.0
55.05502	25.2
57.03428	9.0
57.07070	8.9
58.06593	78.3
62.06033	7.4
67.05502	42.8
69.07053	35.3
71.12849	6.6
71.16050	6.1
77.25202	6.6
79.05476	31.6
81.07050	83.4
83.04978	9.4
83.08596	9.0
85.06535	8.5
91.05467	35.1
91.79209	7.4
93.07029	32.6
95.04969	14.8
95.08617	46.8
96.63390	7.3
97.06514	19.3
99.08109	7.5
104.41459	7.0
105.06989	33.6
107.04977	9.3
107.08573	28.6
109.06506	25.8
109.10147	20.2
110.38964	8.7
117.06995	7.1
119.08546	15.7
121.10120	15.3
123.08080	13.9
125.09623	12.3
131.08566	9.8
133.10112	20.6
135.11696	13.1
145.10129	14.2
147.11710	17.0
159.11688	12.1
163.11198	11.2
167.10658	8.4
175.11430	6.5
210.54416	8.0
220.08812	8.7
225.64520	6.6
235.07524	7.4
236.08289	24.8
251.10570	21.9
263.07019	6.7
275.20065	44.2
279.10098	45.9
293.21094	22.0
294.12411	100.0
295.09555	34.6
295.12558	8.7
296.10022	8.0
307.22729	18.9
309.09836	15.2
310.12024	41.7
325.14490	35.8
325.21597	15.5
326.10156	15.3
326.13782	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	325.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.01865	22.4
55.05508	64.2
57.03431	8.1
57.07075	25.7
58.06599	24.9
63.48396	3.4
67.05498	68.7
69.03421	7.2
69.07059	47.5
71.04994	9.8
71.08621	12.6
74.78852	3.6
77.88179	4.0
79.05486	43.7
81.03415	3.9
81.07053	84.4
83.04980	20.9
83.08614	33.1
85.06528	7.7
85.10170	7.0
91.05489	31.7
93.07037	53.5
95.04967	26.3
95.08596	55.7
97.06526	16.5
97.10148	21.7
98.23432	13.3
99.08095	5.8
105.07023	39.8
107.04968	12.3
107.08585	42.2
109.06507	12.3
109.10150	41.8
111.04446	9.2
111.08089	13.7
113.09649	9.0
117.07016	12.0
119.08578	21.4
121.06522	9.9
121.10143	26.4
123.08051	10.0
123.11720	13.3
125.09661	18.9
129.06985	6.3
131.08551	17.0
133.10118	45.9
135.08064	6.8
135.11719	19.6
137.09602	17.3
139.11230	4.1
139.16206	3.8
141.12758	4.0
145.10110	15.0
147.11670	12.7
149.09607	11.1
149.13228	4.5
151.11150	31.0
153.12773	7.4
159.11670	11.7
163.11182	15.4
163.14758	5.3
167.10674	5.1
173.13245	5.9
177.12692	6.1
181.12265	8.1
183.11758	4.7
183.13824	8.3
191.14297	4.7
195.13815	4.5
201.12930	5.1
202.86935	3.9
207.13956	3.8
236.08273	6.6
247.20612	15.5
251.10732	11.1
257.18976	13.9
265.21646	11.2
275.20038	61.3
276.20465	4.9
279.10074	16.4
293.21103	100.0
294.12457	33.9
295.09607	17.0
295.12668	5.2
307.22696	17.7
310.12186	21.8
325.14264	11.5
325.23666	15.9
325.27338	44.5
326.10007	5.2
326.13773	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	325.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82077	0.9
53.03925	1.4
55.01857	1.5
55.05502	13.9
57.03423	2.0
57.07063	3.5
58.06591	10.8
58.17452	0.8
59.04978	1.5
60.66093	0.9
67.05492	9.9
69.03416	2.6
69.07058	100.0
69.94302	2.3
70.07387	1.1
71.04965	0.9
71.08610	1.6
73.06550	1.6
76.97202	1.0
79.05482	3.6
81.07045	32.3
83.04958	2.0
83.08612	6.6
85.02889	1.8
85.06525	3.3
90.98280	0.9
91.05475	2.6
93.07038	9.8
95.04953	2.1
95.08594	24.1
97.06517	6.1
97.10162	3.4
98.22704	1.1
99.08072	5.0
101.05989	3.1
104.08340	0.8
105.07018	5.0
105.07644	0.9
107.08568	7.0
109.06490	1.5
109.10139	11.0
111.08092	1.5
111.11701	28.9
112.12014	0.9
119.08578	3.0
121.06454	1.0
121.10121	7.2
123.08060	1.6
123.11708	5.1
125.09668	1.2
131.08543	1.6
133.10101	1.6
135.11667	4.9
136.07465	0.8
137.09595	1.9
137.13237	2.8
138.99445	1.1
139.11154	18.7
147.11751	0.9
149.13251	1.8
151.14774	1.9
153.11559	0.8
153.12712	2.1
156.02090	2.7
157.12202	3.9
159.11653	2.8
161.13235	1.1
163.11197	1.3
163.14792	1.9
165.12778	2.6
167.14227	1.8
173.13121	1.0
175.14714	0.9
175.49274	0.9
179.14330	2.6
189.06853	1.0
191.08521	5.9
195.08096	1.3
203.08479	1.6
203.17859	1.2
207.08049	3.6
208.08826	3.2
218.07239	2.4
219.08028	4.5
220.08873	6.9
221.09607	3.7
223.07574	1.1
223.11150	2.9
224.08286	2.5
233.09634	2.8
234.06830	1.2
234.10092	0.9
235.07515	5.4
236.08258	13.1
237.09003	1.4
239.10698	3.3
248.08286	1.6
249.09097	3.6
250.09816	2.2
251.10643	15.2
252.07759	3.4
263.07095	1.1
263.10675	2.7
263.23535	1.3
264.07779	3.1
265.08630	1.5
267.10361	6.2
268.10513	0.8
271.24057	1.2
277.08371	1.3
278.09256	1.2
279.10138	28.2
279.13229	1.6
280.10471	2.3
281.11621	1.2
289.25269	2.7
293.11984	1.0
294.12454	65.3
295.09662	26.1
295.12848	4.7
295.26291	1.9
296.10141	2.0
307.26260	21.4
310.11960	29.4
311.12241	2.2
325.14328	21.6
325.20303	1.3
325.27383	4.8
326.10242	2.1
326.14032	4.4
326.17511	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
58.06585	0.5
68.09135	0.3
69.49277	1.0
70.06558	0.3
70.68403	0.2
72.08141	0.6
79.62646	0.2
85.02876	0.5
90.34962	0.3
95.50880	0.3
98.06028	1.4
98.98456	28.7
99.06362	0.7
114.09142	0.3
114.10291	0.5
115.08659	0.8
116.09048	0.4
116.99470	0.5
117.03344	0.6
122.89766	0.3
127.03954	0.3
145.02838	1.3
146.03151	1.3
157.10840	2.1
158.11227	1.4
164.06897	5.2
164.09274	0.8
165.48889	0.3
174.99214	3.3
177.05457	3.0
178.05795	3.1
248.14838	0.4
250.99815	0.4
291.15375	0.6
308.17798	1.8
319.80347	0.3
326.12051	100.0
326.18805	5.5
327.12503	4.3
327.18805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58822	0.5
52.27457	0.6
53.03939	0.8
55.01873	1.4
56.90328	0.6
57.03424	1.2
58.06588	2.2
61.02911	1.9
66.78067	0.7
68.99781	1.0
69.03418	10.0
69.77646	1.4
69.78014	1.3
70.06568	0.9
71.04984	1.6
71.19228	0.6
71.38471	0.5
72.08141	0.7
73.02914	1.9
81.03404	5.3
85.02895	26.5
86.09756	0.7
87.00819	14.1
87.04469	0.6
97.02882	10.5
97.15965	0.6
98.98454	100.0
99.04435	3.2
105.01855	20.9
108.08841	0.6
109.02879	5.9
116.99485	2.0
117.01919	0.6
121.88606	0.6
127.03901	16.6
129.01855	0.8
145.04945	7.5
159.02866	2.4
164.07057	1.5
174.99196	10.5
179.43910	0.6
189.03844	0.7
231.04988	5.0
249.06024	1.3
250.99954	0.8
326.18768	0.8
326.24722	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	327.216
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01849	1.4
55.05509	6.9
58.06334	1.1
58.06595	13.1
59.23308	0.6
67.05502	3.5
69.07057	2.3
69.62857	1.7
79.05480	3.9
81.03404	1.5
81.07043	5.5
83.04964	2.2
83.08615	4.4
91.05453	0.9
93.07023	2.4
95.04969	1.8
95.08593	2.0
97.10163	7.8
98.98456	100.0
105.06992	0.9
107.08595	3.8
109.06540	0.7
111.08075	0.7
114.05905	0.6
116.99480	2.5
119.08571	1.4
121.10129	0.7
123.08078	3.4
125.09628	8.2
135.08022	0.9
135.11668	0.7
137.09622	0.7
137.57660	0.6
139.11140	1.6
153.09079	1.0
163.11218	1.5
171.10095	0.8
174.99208	11.4
177.06969	0.6
179.08400	0.7
189.11209	10.8
191.08586	1.0
193.12250	0.6
205.06544	0.7
211.13242	1.1
212.49457	0.7
223.07617	0.8
237.14682	0.8
251.00179	1.1
251.06908	1.2
255.09857	0.7
265.08496	4.8
273.18518	2.3
283.09564	2.5
291.19504	7.2
292.20132	0.8
309.20538	4.0
316.77203	0.7
327.05072	3.0
327.14136	0.8
327.17816	0.7
328.11630	0.7
328.15363	12.0
328.19095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.5
53.03931	4.0
55.01861	2.1
55.05505	6.5
57.03409	2.3
57.07059	3.1
58.06594	24.2
65.03931	1.8
67.05494	16.1
69.03444	1.2
69.07068	5.8
71.08630	1.4
72.08135	1.8
75.94559	1.0
77.03899	5.5
79.05481	10.8
81.03432	1.6
81.07043	13.9
83.08600	2.3
85.06522	2.3
91.05468	20.7
93.07030	29.6
95.04958	46.6
95.08593	22.4
97.06511	4.8
98.98452	100.0
103.05460	1.9
105.04516	8.3
105.07014	27.9
107.08569	14.8
109.06495	4.0
109.10127	7.9
115.05424	2.1
117.06992	8.5
119.08557	23.5
121.06512	5.7
121.10127	11.4
121.85519	1.0
123.08036	2.1
123.11697	1.8
128.06207	3.9
129.07005	5.5
130.07730	2.2
131.08553	14.6
133.10098	13.5
135.08006	3.8
135.11653	3.8
137.09610	1.2
141.06934	1.9
142.07784	5.4
143.08521	8.1
144.09303	3.5
145.06464	1.4
145.10091	15.7
147.08034	1.3
147.11633	5.9
149.09647	1.6
152.06200	18.0
153.06982	16.4
154.07365	1.3
155.08537	3.5
156.09306	2.7
157.10109	10.8
158.10905	2.7
159.08073	1.6
159.11667	11.6
161.09598	4.5
165.07008	1.5
167.08588	2.0
168.05685	5.1
168.09372	1.0
169.06477	3.3
169.10135	6.3
170.10892	1.3
171.07936	1.2
171.11632	5.7
172.12431	1.4
173.13249	6.0
174.99191	9.5
175.14833	3.7
179.08507	2.4
181.10060	2.8
182.10899	2.4
183.11682	3.8
185.13268	3.7
187.03044	1.4
187.11143	1.8
187.14784	2.6
189.16318	1.2
191.08530	1.2
194.10797	1.1
195.11649	2.6
196.12511	1.9
197.13257	3.6
199.14809	2.2
207.11761	1.2
209.13245	2.4
211.14781	1.5
213.16458	2.0
215.02525	5.3
219.08197	1.2
221.13214	1.7
228.09303	4.7
229.10129	2.2
233.03593	21.4
237.09093	1.9
239.17921	1.2
251.00018	1.9
251.04639	10.4
251.06871	1.9
265.08536	8.8
268.07083	1.7
283.09634	5.9
309.22070	2.3
327.07736	60.7
327.23184	4.8
327.33752	1.6
328.08084	4.8
328.15363	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	2.0
55.05505	5.9
57.03423	1.3
57.07061	3.5
58.06594	26.3
59.04983	0.9
59.06923	0.8
63.57037	0.8
67.05495	15.4
69.07058	7.8
69.27054	3.2
69.27463	2.1
71.04952	1.3
72.08131	1.4
77.03918	1.5
79.05482	10.0
81.03410	2.2
81.06609	1.6
81.07046	17.3
83.04958	1.5
83.08613	2.7
85.06515	1.9
91.05470	18.7
92.61523	0.9
93.07033	34.6
95.04957	37.3
95.08594	23.6
97.06520	6.4
98.98455	100.0
103.05444	1.3
105.04509	2.1
105.07016	29.9
107.08575	20.2
109.06511	5.0
109.10147	11.2
111.08109	1.1
115.05438	2.1
116.06198	0.9
116.99495	2.4
117.07014	7.4
119.08574	27.3
121.06485	8.1
121.10123	14.3
122.10538	1.2
123.08046	4.6
123.11689	3.1
124.27088	0.8
124.40437	0.9
128.06192	2.5
129.06982	4.2
130.07756	2.7
131.08557	14.3
133.06506	1.1
133.10115	20.1
134.10452	0.9
135.08025	4.7
135.11670	5.6
137.09552	1.4
141.06969	1.4
142.07762	6.2
143.08560	9.1
144.09297	2.4
145.10101	18.2
147.07977	1.5
147.11681	6.2
149.09515	1.8
149.13229	1.3
152.06253	1.3
153.07019	1.2
154.07768	1.1
155.08548	3.8
156.09337	3.0
157.10101	13.2
158.10843	1.9
159.08038	1.7
159.11662	16.4
161.09590	5.6
161.13295	3.1
163.11148	1.1
165.07045	0.9
166.07738	1.4
167.08604	1.6
168.09276	1.1
169.10112	7.2
170.10835	2.0
171.11655	6.6
172.12425	1.3
173.09572	1.4
173.13228	7.8
174.99199	10.0
175.11165	1.4
175.14755	7.0
179.08588	3.2
181.10100	2.5
182.10866	1.6
183.11650	5.7
184.12495	1.2
185.13245	4.0
187.11186	2.6
187.14717	5.1
189.12654	1.3
191.08539	1.6
193.10080	1.6
194.07278	1.3
194.10872	1.5
195.11682	3.2
196.12532	1.4
197.13197	6.3
199.14815	3.8
201.16386	1.6
205.06497	1.4
205.15855	1.0
207.11633	1.3
209.09705	1.1
209.13167	2.4
210.14041	1.0
211.11256	1.1
211.14761	3.1
215.14133	1.8
217.15852	3.0
220.12523	1.3
221.13248	1.4
223.07607	2.4
223.14729	2.0
225.16278	2.7
229.13365	0.9
229.15742	1.3
233.05966	1.1
235.14792	2.0
237.09125	2.1
251.00119	1.3
251.07146	2.2
251.17805	1.3
253.15891	1.2
265.08578	12.6
265.19302	1.1
268.18097	1.0
283.09634	6.7
285.11331	1.0
291.21094	1.3
297.11340	1.2
309.22171	3.3
310.31165	1.2
326.34192	4.7
327.07825	2.6
327.14386	1.7
327.23102	5.6
327.34366	3.6
328.15375	23.7
328.19107	1.7
332.53403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
55.01869	1.8
55.05500	9.7
57.03421	3.4
57.07055	3.8
58.06594	31.0
67.05493	9.8
69.03416	3.2
69.07066	8.6
69.52512	5.4
71.04990	8.7
71.08638	1.6
79.05479	7.9
81.07040	10.8
83.08627	1.8
89.06023	3.7
91.05478	9.5
93.07042	26.6
95.04955	21.1
95.08595	30.5
97.06556	3.1
98.39413	1.4
98.98457	100.0
100.73705	1.4
103.05464	1.7
105.07024	22.6
107.04966	1.5
107.08582	18.2
109.06511	4.6
109.10154	2.7
115.05456	1.7
116.23930	1.5
116.99496	3.2
117.06992	9.0
118.92241	1.5
119.08520	8.0
121.06495	6.7
121.10152	6.4
123.08071	5.6
123.11684	2.5
129.06975	1.9
130.07788	5.2
131.08495	2.4
133.10138	4.1
135.08023	18.3
135.11641	7.8
142.07634	1.3
143.08607	2.7
145.10110	28.2
147.11646	3.5
149.09641	2.7
157.10103	2.2
159.11612	2.5
161.09529	1.7
161.13235	2.1
163.11159	20.7
165.12813	3.1
171.11574	2.3
174.99217	10.4
183.11667	1.9
187.14717	1.7
189.12807	1.9
191.08546	2.1
191.14302	6.0
193.15880	3.3
205.15814	14.5
217.15862	2.8
223.07503	2.5
237.09196	2.3
247.17029	3.0
251.00050	2.5
251.06984	2.2
265.08578	15.3
268.07187	2.0
270.19989	1.8
283.09573	9.8
326.37610	1.9
327.07761	2.0
327.14252	2.3
327.23148	30.6
327.28915	5.3
327.82993	1.5
328.15381	35.7
328.23358	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
55.05508	4.0
57.03423	0.9
57.07055	3.5
58.06589	24.1
67.05492	8.4
69.03393	0.9
69.07059	5.4
71.04980	1.7
72.08147	1.4
74.27731	0.8
79.05469	5.1
81.03419	2.0
81.07043	7.9
81.91866	0.7
82.44293	0.9
83.04974	2.2
83.08598	2.7
85.06526	0.9
85.10167	2.9
85.96684	0.7
89.13708	0.7
91.05474	4.8
93.07034	5.9
95.04430	0.9
95.04968	9.4
95.08571	5.9
97.06544	1.5
97.10147	1.4
98.98449	100.0
105.07027	4.6
107.08570	5.3
109.06511	2.0
109.10146	5.1
113.09628	2.3
116.99487	2.7
117.06970	2.3
119.08546	5.2
121.10123	2.9
123.08044	1.2
123.11663	0.9
125.09634	1.0
128.06218	0.8
131.08540	2.2
133.10130	4.6
135.08051	1.6
140.01053	1.1
143.08519	1.4
145.10097	3.0
147.11632	2.0
149.09589	1.2
151.11171	1.6
152.06221	1.4
153.06897	0.8
157.10114	3.2
159.11673	2.4
161.09526	1.4
161.13303	1.2
163.11189	1.7
165.12735	4.6
171.11679	1.3
173.13286	1.1
174.99208	11.3
187.14725	1.1
191.08592	0.9
205.06468	1.1
209.09650	1.7
223.07411	1.8
226.32138	0.9
233.03653	1.4
237.09184	1.4
251.00099	1.1
251.07033	2.4
255.10214	0.9
265.08554	12.1
268.07370	1.0
277.21567	11.9
283.09503	6.0
285.10953	0.8
286.94061	0.9
295.22617	33.5
296.22995	2.2
309.24252	2.5
327.07733	3.4
327.14557	0.9
327.23187	3.2
327.34305	1.5
328.11569	1.6
328.15335	21.8
328.19089	1.5
328.32370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28452	0.6
53.03933	0.6
55.05504	6.8
57.03423	2.7
57.07077	3.7
58.06594	28.1
59.06928	0.9
59.61880	0.6
65.03893	0.8
65.16872	0.6
67.05150	1.1
67.05493	15.2
69.07059	8.5
69.61295	2.3
71.04967	1.8
71.08615	1.5
78.03242	0.6
79.05470	5.6
81.07047	19.0
83.08607	5.7
85.06522	1.5
85.10179	1.0
91.05468	5.5
93.07033	6.3
95.04977	1.2
95.08592	17.4
97.06530	3.0
97.10146	3.5
98.98454	100.0
99.08080	2.3
105.07024	3.7
107.08582	3.5
109.06499	0.7
109.10123	6.2
111.08054	0.9
111.11697	1.1
113.09673	1.3
116.99492	2.7
119.04642	0.6
119.08561	4.1
121.10132	5.2
123.11699	2.9
127.11194	0.8
133.10110	5.1
135.11674	4.5
137.09587	1.0
137.13243	3.6
140.01041	0.8
147.11679	4.2
149.13252	1.3
151.14818	2.1
159.11613	0.9
161.13226	3.6
167.08450	0.7
174.99194	12.9
175.14832	1.1
189.16360	0.7
191.08604	1.9
191.17841	0.9
193.12265	2.4
194.07300	0.7
195.07903	1.5
205.06433	1.1
209.09586	1.4
217.19484	12.4
218.19699	1.1
222.06773	2.3
223.07500	2.9
233.06036	0.8
235.20546	7.5
237.09041	1.5
250.06282	1.0
251.00029	1.6
251.06955	4.0
253.08806	0.8
255.10074	0.9
265.08578	14.3
268.07153	1.6
281.08054	1.6
283.09604	8.9
285.11215	1.1
297.07614	1.0
297.10986	0.9
309.24164	3.6
322.73523	0.8
327.12012	8.1
327.25314	1.9
328.11917	1.0
328.15402	25.4
328.32309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.7
57.03425	0.6
57.06812	0.8
57.07072	9.6
58.06595	27.1
59.06929	0.6
62.70316	0.5
67.05494	4.2
69.07069	3.3
71.08267	0.6
71.08623	7.4
72.08147	59.5
77.01596	0.6
79.05505	1.1
81.07045	4.9
83.08609	3.7
83.24207	0.4
85.10181	4.0
88.07596	0.7
89.10780	1.5
91.05457	0.8
93.07018	1.2
95.04967	1.0
95.08605	6.1
97.10157	1.9
98.98456	100.0
99.08079	1.2
105.07011	0.7
107.08599	0.7
109.10143	3.3
116.99511	3.0
119.08627	0.6
121.10130	0.8
123.11687	1.7
131.08553	0.6
133.10098	1.2
136.77899	0.5
150.05542	0.5
151.14801	0.5
174.99202	11.9
179.08546	0.7
187.20543	0.6
191.08527	1.9
194.07153	0.9
195.08011	1.0
205.06471	1.2
209.09647	1.6
219.08115	0.7
222.06731	1.2
223.07504	2.2
233.05978	0.8
237.09079	1.9
239.23706	1.5
250.99953	1.2
251.07037	3.1
254.08881	0.5
256.26282	2.5
265.08563	13.7
268.07245	1.3
283.09589	7.5
285.10953	0.6
297.11115	1.5
310.31009	42.5
311.31366	2.4
312.12103	0.6
327.14499	1.2
327.25308	1.9
327.33655	43.1
328.12088	0.9
328.15372	25.6
328.33939	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	328.1539
Annotation	Boldine
Peak:m/z	Relative Intensity
50.62532	0.6
56.05020	0.7
56.32528	0.6
58.06591	99.8
59.06917	1.6
64.13158	0.5
67.05494	1.2
69.03437	0.5
69.27876	2.5
70.06582	0.9
72.08160	0.9
81.37916	0.5
86.09669	0.8
95.04956	0.8
98.22681	1.0
98.98450	30.8
109.02896	0.5
116.99425	0.5
121.06443	0.5
130.14449	0.6
138.05472	3.4
155.08473	0.7
159.34164	0.6
163.11089	0.6
166.04956	5.8
167.08571	0.9
174.99217	2.3
176.98898	0.9
177.06992	1.5
178.07660	1.0
179.08546	2.4
190.08630	2.6
191.08574	1.9
194.05753	0.7
194.07275	2.2
195.08003	4.6
205.06471	6.1
209.09566	1.8
211.07611	0.8
219.07964	1.3
222.06868	3.5
222.87531	0.5
223.07579	7.0
225.09210	0.7
233.05969	4.1
234.06770	0.6
235.07492	1.3
237.09036	6.1
238.04893	0.7
238.08760	1.8
239.07137	0.7
241.08740	0.9
250.06285	1.8
251.04506	1.1
251.07001	11.8
252.07570	1.0
253.08534	2.6
254.09258	0.7
255.10008	0.6
265.08560	24.2
266.04385	1.1
266.08475	1.7
267.10294	0.7
268.07275	8.1
271.09518	0.9
279.10022	0.8
282.08859	1.0
283.09598	30.0
284.09937	2.0
285.11133	4.8
297.11096	3.6
299.13309	0.6
310.07098	3.1
313.02185	1.1
328.04483	3.6
328.08163	8.7
328.15399	100.0
328.18970	12.1
329.08731	0.7
329.15628	5.9
329.19205	1.0
352.00641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1541
Annotation	Boldine
Peak:m/z	Relative Intensity
56.05009	1.1
58.06594	47.6
59.06923	0.6
67.16894	0.7
69.32282	0.6
69.65974	2.5
98.98457	20.2
107.04943	1.0
107.52901	0.6
113.83293	0.6
136.01610	0.7
137.06020	0.8
153.06984	1.1
165.06906	3.1
166.04985	0.9
168.05707	1.8
173.04639	1.1
174.99190	1.5
176.98946	0.8
177.06972	2.6
179.08458	0.9
181.06522	1.3
183.08025	5.0
183.51622	0.7
184.03920	0.7
185.04639	1.2
190.08600	2.5
191.08707	1.1
192.10205	2.1
193.06477	2.7
194.07263	2.1
195.08026	1.8
196.05211	1.0
201.04224	5.1
205.06474	7.9
206.07304	1.0
207.04402	10.3
207.08110	1.0
209.05995	1.0
209.09589	2.1
211.07518	11.4
212.03410	1.7
213.04121	3.3
216.06590	3.0
219.08063	1.6
221.06055	1.0
222.06776	4.7
223.03909	1.0
223.07552	2.0
225.09036	0.7
226.04874	0.7
227.06956	2.7
229.03662	8.1
233.05939	4.0
235.07658	0.9
237.09073	17.8
237.11479	1.0
238.09518	1.0
238.49678	0.7
239.07025	7.7
240.02827	0.7
241.03575	0.7
243.10208	1.5
244.06094	4.6
250.06190	1.0
251.06982	3.9
253.08597	2.0
253.10921	0.7
255.06543	4.7
255.10216	0.8
257.03174	12.4
265.08588	17.0
266.09155	0.9
267.01611	1.0
267.06506	2.6
268.07471	0.9
268.13263	1.8
270.08817	2.8
271.09698	1.6
272.05530	8.6
280.09375	0.7
282.08932	3.8
283.09622	6.0
283.12665	1.1
285.02625	3.3
285.11151	3.6
296.12747	1.2
297.11182	6.7
300.15955	0.7
312.12244	3.3
313.02112	16.6
313.12952	2.6
314.02371	1.5
328.04489	55.8
328.15390	100.0
328.18716	4.4
329.04800	4.7
329.15634	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1541
Annotation	Lastourvilline
Peak:m/z	Relative Intensity
57.70059	0.5
58.06596	15.7
59.13336	0.5
61.65063	0.5
63.55649	0.4
69.38185	2.3
70.06555	0.5
76.81779	0.6
86.91727	0.5
91.32991	0.5
98.98459	20.4
105.07016	0.9
137.05972	0.5
140.00677	0.5
151.07509	4.3
165.07007	2.0
165.09102	1.0
166.08635	2.0
167.08627	0.9
174.99202	1.9
177.06934	0.7
178.07698	0.9
179.08562	2.9
181.06487	1.2
181.10110	1.8
189.06961	0.9
190.07639	1.5
190.08818	0.7
191.08549	11.5
192.09259	0.6
193.06519	0.7
194.07201	3.8
195.08009	1.8
205.06485	4.6
206.07008	0.8
207.08005	6.5
208.08762	2.4
209.09593	4.4
211.07683	0.6
218.07249	1.2
219.08015	7.6
220.08505	0.7
221.05885	3.0
222.06737	11.0
223.07472	3.3
224.08418	0.7
225.09056	1.2
233.05876	2.5
235.07539	2.5
236.08334	2.0
237.09073	11.6
239.07048	2.9
240.07599	0.5
247.07486	2.3
249.05487	0.9
250.06369	2.5
251.06964	3.5
251.10794	0.9
252.10184	1.7
253.08603	1.6
255.10136	1.5
263.07043	2.0
264.07816	1.2
265.08572	37.0
266.08978	1.9
267.06497	3.6
267.09412	0.6
268.07150	1.4
268.09854	0.5
268.13159	0.7
270.11246	0.7
279.10229	1.3
280.09680	2.1
281.10403	0.8
282.08829	12.6
283.09573	5.5
284.09286	1.2
285.11151	1.0
296.12921	3.0
297.11227	41.6
298.11038	4.0
312.12250	31.6
312.15985	0.8
313.13004	25.0
314.13348	1.3
328.04599	1.5
328.15393	100.0
329.15710	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	328.1541
Annotation	Boldine
Peak:m/z	Relative Intensity
50.06657	0.5
52.61517	0.6
58.06594	45.3
59.04988	2.4
65.01226	0.6
69.03410	0.7
69.40285	2.2
73.06548	5.4
86.09683	0.8
98.23550	1.1
98.98461	26.1
105.90144	0.5
117.09148	0.6
130.66031	0.5
137.05923	0.8
138.05492	0.7
142.31592	0.6
143.04880	0.6
149.11726	2.6
152.06282	0.6
153.68446	0.5
159.84709	0.6
162.09221	0.6
165.07002	1.6
166.04970	1.6
166.07718	1.1
167.08519	1.0
168.05750	0.6
174.22572	0.6
174.99229	2.5
176.98984	0.8
177.07033	2.0
179.08495	1.8
181.06441	2.0
181.10106	1.5
183.07999	1.1
190.08678	5.1
191.08376	6.2
192.10202	4.6
193.06505	0.9
194.07277	3.6
195.08051	1.2
196.05220	0.9
197.06064	0.8
205.06468	9.7
206.06995	0.6
207.08026	1.6
208.08801	1.2
209.09590	5.5
211.07515	4.7
212.08189	1.3
213.09135	0.8
215.10713	0.9
219.08028	2.4
222.06721	5.6
223.07491	10.8
225.09074	1.3
227.06975	1.3
228.07808	1.4
233.05956	5.3
234.06671	1.0
235.07501	0.6
237.09097	9.4
238.09619	0.7
239.07039	3.7
240.07722	1.6
243.10193	3.4
250.06216	2.5
251.07007	22.7
252.07426	1.1
253.08603	1.4
253.10970	0.7
254.09314	1.1
255.06494	1.1
255.10144	1.8
265.08566	58.9
266.09073	3.5
267.06531	1.2
268.07217	3.1
270.08835	2.0
271.09622	3.5
282.08777	2.2
283.09607	24.2
284.10077	1.0
285.11182	3.1
297.11246	2.4
328.15399	100.0
329.15778	6.8
350.88657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22102	0.6
58.06593	14.9
65.35257	0.6
66.30376	0.5
69.05651	0.6
69.33431	3.0
69.84757	0.5
91.99557	0.6
92.44650	0.5
94.37006	0.6
98.22672	1.3
98.98459	20.8
165.06976	1.8
166.88840	0.7
174.99165	1.8
178.07744	1.7
179.04921	1.2
179.08545	1.5
181.06464	1.0
189.06924	2.4
190.07642	3.8
191.08588	5.0
192.08910	0.8
193.06458	1.7
194.07245	1.8
202.07780	0.6
205.06448	10.1
206.07205	2.1
207.08029	17.5
208.08829	6.8
209.09602	1.8
210.06686	0.7
218.07233	0.8
219.08066	3.3
220.08815	18.7
221.05974	4.3
221.09535	2.2
222.06808	3.2
223.07497	1.4
225.09044	2.0
233.05945	5.5
235.07500	7.0
236.08290	12.1
236.10622	0.7
237.09021	6.7
239.06960	1.0
247.07584	1.3
248.08296	5.5
249.05327	1.6
249.09018	1.1
250.06287	0.8
251.10646	63.6
252.10898	2.9
253.08549	2.0
255.09970	0.7
264.07864	4.1
265.08554	21.2
266.08896	1.2
268.07281	0.9
268.10873	2.9
279.10117	100.0
280.10657	10.2
281.08069	5.7
282.08545	1.1
283.09717	3.1
296.10403	9.3
297.11127	9.2
311.12729	30.2
312.12836	2.6
313.12921	0.8
328.11874	1.3
328.15396	18.0
328.18805	1.0
329.15799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.2
53.03932	0.4
57.03424	0.3
58.06591	0.7
58.85130	0.2
61.02918	0.4
64.95789	0.2
69.03418	1.3
77.03920	0.6
81.03374	0.4
84.51003	0.2
85.02877	1.6
87.04472	0.2
91.05466	3.5
93.07027	7.3
95.04948	1.5
97.02858	0.6
98.98470	1.1
103.05459	4.3
105.04502	0.5
107.37404	0.3
116.07115	0.2
121.06484	100.0
122.06809	2.5
127.03894	0.3
129.43980	0.2
137.05949	0.2
145.04901	0.3
154.74161	0.2
155.97006	0.2
166.07330	0.4
166.08594	0.8
166.12251	10.6
167.12584	0.5
302.86743	0.3
328.17480	36.9
329.17752	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1753
Annotation	Cropodine
Peak:m/z	Relative Intensity
51.02386	0.2
53.03941	0.7
53.75919	0.2
55.01871	0.2
56.96558	0.3
57.03436	0.4
58.06585	0.5
61.02938	0.4
65.03941	0.2
69.03428	1.5
69.75324	0.6
73.02924	0.3
77.03924	1.1
81.03404	0.4
84.08134	0.2
85.02893	2.2
88.62920	0.2
88.90302	0.2
91.05475	4.1
93.07040	7.8
95.04967	1.7
97.02908	0.9
98.23438	0.3
98.82999	0.2
98.97563	0.3
98.98474	1.4
103.05457	5.1
105.04509	0.8
121.06494	100.0
122.06805	2.4
127.03907	0.3
166.07384	0.2
166.08652	0.4
166.12257	10.6
167.12570	0.4
172.94345	0.3
190.95412	0.2
214.95403	0.3
219.01891	0.2
232.96410	0.4
256.17252	0.2
328.17502	37.8
329.17862	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01857	4.3
55.05506	56.9
58.06595	47.8
67.05490	14.1
69.03426	5.0
69.07053	12.1
69.62851	11.9
73.44785	4.0
79.05468	25.4
81.07053	16.9
83.04978	4.3
83.08611	35.0
91.05461	11.3
93.07040	10.8
95.08588	6.6
97.09583	6.6
97.10162	70.8
98.98454	100.0
105.07001	13.9
107.08582	69.8
119.08585	5.0
125.09627	62.4
131.08600	3.9
133.10081	4.7
135.08031	5.7
143.10585	4.8
145.10139	4.7
171.10162	11.5
174.99179	5.2
183.11754	4.8
189.09689	6.4
189.11220	87.9
223.07434	5.6
257.18924	7.6
265.08636	22.3
275.20041	57.1
276.20209	5.8
283.09546	9.1
328.15405	46.3
329.16382	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05502	5.7
58.06591	52.9
60.08136	1.1
67.05495	12.8
69.03413	1.2
69.07052	4.6
69.39220	0.8
71.04973	1.4
79.05482	11.0
80.05867	0.8
81.03403	1.3
81.07041	8.4
83.04981	1.3
83.08598	3.1
91.05468	8.2
93.07024	7.2
95.04957	4.2
95.08585	7.0
97.06508	1.6
97.10159	3.0
98.98450	100.0
105.06995	5.3
107.04933	0.9
107.08579	4.8
109.10147	6.9
111.08105	1.0
111.92606	0.7
113.44537	0.8
116.99466	2.6
117.06988	1.9
119.08566	3.6
121.10104	4.3
125.09586	2.0
127.85545	0.7
129.06949	0.9
131.08548	1.7
133.10112	2.7
135.11726	1.1
137.09593	2.9
140.00964	1.0
145.10089	1.7
154.12219	1.1
159.11707	1.0
166.07701	1.0
172.13300	2.7
173.11726	3.4
174.99205	7.3
176.98897	3.4
179.08479	1.5
191.08556	4.5
194.07167	1.4
195.07991	2.4
205.06491	3.0
209.09538	2.2
219.07997	1.4
222.06706	2.4
223.07587	4.3
237.09070	3.8
250.06377	1.2
251.06929	4.7
265.08551	26.3
266.09048	2.5
268.07300	3.0
275.19968	2.5
283.09589	15.0
284.09900	1.4
285.11188	2.1
297.11160	2.2
328.15381	53.9
328.35663	4.2
329.15762	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71473	1.2
55.05499	3.5
55.78393	1.3
58.06594	51.4
60.22662	1.4
67.05494	5.2
69.07069	4.5
69.69508	5.0
69.70267	1.4
74.49454	1.4
78.92508	1.3
79.05492	6.5
80.58779	1.4
80.95705	1.5
81.07048	7.7
91.05479	2.9
93.07033	5.3
95.04974	2.4
95.08608	3.6
97.06497	2.2
97.72939	1.5
98.09666	3.7
98.23436	1.7
98.98458	100.0
103.05453	1.6
105.07021	4.6
107.08594	2.2
109.10192	2.1
116.99460	2.3
119.08546	3.6
121.65376	1.2
131.04890	2.6
133.10077	3.0
135.11685	3.9
141.07147	1.4
145.10123	2.0
147.11711	1.4
156.04430	5.6
159.11618	1.9
163.11125	1.8
166.07889	1.8
172.03912	3.8
174.99203	8.6
176.98865	2.2
181.12207	2.7
183.05496	3.0
191.08546	2.7
195.08069	3.1
196.49675	1.7
200.03474	2.6
205.06523	2.7
209.09602	2.8
222.06754	2.7
223.07471	2.8
237.09053	2.5
238.30818	1.6
251.06995	4.6
265.08578	27.0
267.10071	1.6
267.44949	1.4
268.07245	2.0
275.20044	2.8
283.09641	13.3
285.11169	1.8
328.07181	8.9
328.15393	52.7
328.18860	7.1
328.22858	1.8
328.35754	1.8
329.07846	16.3
329.15823	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
56.05015	0.6
58.06591	46.0
59.06920	1.1
64.71630	0.6
67.05489	3.9
69.07058	2.0
71.44608	0.7
76.37127	0.6
79.05487	3.9
81.07050	3.0
83.08607	2.1
91.05463	2.3
93.07017	3.0
95.04931	1.0
95.08577	1.6
97.10167	3.6
98.98449	100.0
100.98863	0.6
105.07033	2.3
107.08570	3.7
108.86040	0.6
109.10140	1.3
116.99471	2.9
119.08581	1.8
120.46318	0.6
121.10088	1.9
125.09582	3.1
133.10109	1.0
135.08034	0.6
140.01054	1.0
145.10040	0.9
147.11678	0.8
155.44664	0.6
161.13255	0.8
165.06969	0.6
166.07802	0.6
167.08592	0.7
173.11656	0.9
174.99191	9.0
176.98924	3.0
179.08536	1.2
181.06506	0.7
189.11197	3.2
190.95335	0.7
191.08510	3.2
192.08780	0.6
194.07260	1.9
195.07968	1.5
205.06514	2.9
209.09628	2.1
219.02303	0.6
219.08006	1.3
222.06689	3.3
223.07454	4.3
233.06030	1.0
237.09065	3.3
250.06244	0.7
251.06955	6.9
252.07332	0.6
252.99730	0.7
255.10153	0.8
265.08548	24.9
266.08917	1.8
268.07458	2.6
275.20078	3.1
279.10129	0.7
283.09601	13.8
284.09686	1.0
285.11115	1.3
297.11172	1.8
328.12006	2.0
328.15369	52.6
328.22424	1.5
329.15543	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	329.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.2
57.07059	1.9
58.06587	8.7
59.06927	1.5
67.05463	1.1
70.06573	1.7
71.08637	0.9
81.07013	0.9
83.08582	2.0
88.07609	2.0
91.05470	1.6
95.08588	1.0
98.98454	78.7
105.07008	1.2
116.99464	1.9
120.52008	0.9
121.10136	1.0
131.08554	1.4
136.49504	0.7
140.01118	1.0
145.10120	1.7
174.99237	5.2
176.98906	3.2
247.16888	1.6
252.07332	1.5
265.08444	0.8
266.08878	6.0
269.07639	0.9
284.09949	3.2
286.30478	0.8
329.15860	10.0
329.20810	100.0
330.17633	0.8
330.21140	5.2
330.33652	12.3
334.99921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05505	84.8
55.84483	0.9
56.05833	1.8
57.07062	4.1
58.06299	1.0
58.06594	18.4
59.06923	3.8
67.05502	4.8
69.07060	1.5
70.06572	3.4
71.04939	1.1
71.08611	1.4
75.87231	1.0
79.05485	3.6
81.07030	4.8
83.05013	0.9
83.08609	30.6
87.04382	1.1
88.07615	5.8
90.43865	1.0
91.05464	8.9
91.40193	1.0
93.07036	4.9
95.04948	1.4
95.08572	6.3
98.98452	100.0
102.09181	1.3
105.07026	6.6
106.08665	2.1
107.08569	3.0
109.06554	1.3
116.99470	3.1
117.07017	5.3
119.08550	6.8
121.10143	2.0
129.01857	1.1
129.06989	2.7
131.08556	8.3
133.10081	4.9
135.08066	1.5
141.06967	2.5
143.08554	3.2
145.10078	12.6
146.10391	1.1
147.11687	1.9
155.08528	1.9
157.10098	3.4
159.10495	1.0
159.11633	5.2
169.10124	4.6
171.11546	1.1
173.13264	3.7
174.99182	7.1
176.98923	3.5
183.11679	1.5
185.13242	2.6
187.11226	2.5
187.14786	10.5
189.41266	1.0
192.08838	1.1
199.10994	1.3
201.12701	1.2
201.16339	3.4
211.14766	4.9
215.43201	1.0
227.14397	1.3
229.15863	12.0
235.58232	1.0
238.09395	1.3
247.16878	15.1
252.07468	2.2
259.17026	1.5
265.08624	1.2
266.08902	9.6
284.10004	6.4
286.11566	1.2
312.32504	2.0
329.15720	21.5
329.20987	2.8
329.24615	24.7
330.13138	1.9
330.20911	1.1
330.24966	2.5
330.33615	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	3.5
51.02376	10.0
52.74920	0.5
53.00301	2.1
60.79718	0.4
65.03935	0.9
66.04272	0.5
69.62987	1.1
69.63369	1.1
79.01846	73.2
80.02173	0.7
89.49162	0.5
94.77559	0.5
97.06544	0.7
98.23405	0.6
98.98455	8.7
107.01305	91.5
108.01642	2.0
109.02855	1.9
135.00752	7.6
137.02303	2.5
143.30751	0.5
153.01807	100.0
154.02164	1.4
158.05966	0.5
170.05954	0.7
183.02869	9.1
186.05502	1.2
197.04404	6.1
198.05487	1.4
214.04942	2.3
226.04958	1.7
240.67691	0.5
242.04463	1.7
252.02869	0.5
270.03946	3.1
274.06958	0.5
298.03442	13.1
302.06558	0.9
316.04477	2.3
330.06046	26.4
331.06274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03920	0.7
54.55294	0.2
58.06581	0.6
60.80079	0.2
65.03938	0.3
77.03904	0.7
79.01862	0.4
79.05489	2.7
81.07054	1.4
88.11395	0.2
91.05448	0.2
92.02599	1.2
94.04159	2.0
95.04958	3.9
98.98454	16.4
105.03374	0.9
105.04491	1.6
105.07024	0.3
107.01279	1.5
107.04952	0.8
109.06499	4.9
116.98697	0.2
116.99476	0.5
122.03633	5.0
123.13610	0.2
125.05977	5.0
127.10215	0.2
131.08493	0.2
135.04478	0.5
135.05502	3.8
137.05952	0.8
138.01103	0.2
150.01926	0.4
150.03104	0.9
151.03874	1.3
153.01785	0.5
165.05452	100.0
165.57825	0.2
166.05812	2.8
168.02879	0.8
168.04144	4.9
174.99217	0.7
176.98914	0.9
177.00420	0.3
191.43828	0.2
192.02870	4.0
195.01627	1.6
226.04857	0.4
241.03601	0.3
254.04425	0.7
256.06183	0.3
282.03958	0.4
285.02646	3.1
297.06308	0.5
300.04971	17.7
301.05347	0.8
315.07318	12.6
316.07681	0.7
330.09671	80.8
330.20120	2.0
331.10019	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	330.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27300	0.1
53.02996	0.1
57.07061	0.1
63.02355	0.3
65.03931	0.4
67.05489	0.2
68.01395	0.1
80.05004	0.2
81.05775	0.1
90.03424	0.5
92.04981	0.5
94.02940	0.2
94.06551	0.1
95.04411	0.2
95.04951	2.2
97.06540	0.2
98.23508	0.2
98.98457	1.7
106.02931	0.1
108.02068	0.1
109.05232	0.7
110.03639	1.5
120.04414	0.2
122.06010	0.2
123.04384	1.3
124.07536	0.3
125.05968	9.4
126.06331	0.1
135.03134	0.5
136.03914	0.2
137.04678	1.4
138.05475	0.5
141.05449	0.8
150.04375	0.2
150.05479	3.0
151.03879	8.4
152.07040	23.4
153.07413	0.7
159.58495	0.1
163.02611	0.2
165.04230	0.2
170.05969	0.1
180.06520	100.0
181.06868	3.2
200.07065	0.1
206.04453	9.0
207.04807	0.3
216.06479	0.2
226.04968	0.8
227.05630	0.2
228.06519	0.2
228.93379	0.1
233.06781	0.3
242.08035	0.5
244.06172	0.3
254.04492	0.9
255.05235	0.3
259.08267	0.3
270.07568	1.5
271.08200	0.5
276.08514	0.2
286.07080	0.5
286.10675	0.4
287.07938	0.2
298.07056	1.9
302.10196	0.3
314.06525	0.3
315.07175	0.8
330.09656	57.6
330.33542	0.4
331.10028	3.9
331.18701	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	330.1695
Annotation	Protosinomenine
Peak:m/z	Relative Intensity
50.21637	0.4
54.01424	0.4
55.45236	0.4
56.05042	0.4
58.06591	100.0
59.05799	0.4
59.06927	1.2
67.05486	0.6
68.78036	0.4
69.03429	0.9
69.07057	2.2
70.06590	1.8
74.06070	0.5
79.05513	0.4
81.03431	0.5
81.07028	0.5
82.06566	0.8
85.02893	0.5
91.05489	1.6
95.04967	0.6
98.98450	24.4
105.07039	0.5
105.18678	0.4
107.04971	0.9
109.06485	0.4
115.05433	3.3
117.07027	1.0
117.70498	0.4
118.03771	0.4
119.04940	1.1
123.04413	24.2
124.03920	0.6
124.04768	0.4
131.04947	1.0
131.08578	0.5
133.06471	0.4
135.04366	0.5
135.36343	0.4
137.05949	7.7
140.07092	2.9
143.04887	10.0
143.08553	0.7
144.05421	0.4
145.06517	0.5
145.10126	0.6
149.05959	1.0
151.07495	3.4
152.90298	0.4
155.08517	0.4
157.10109	0.5
160.05222	1.5
160.07559	0.4
161.05936	2.2
162.09128	0.4
163.07597	1.1
164.07050	2.1
164.10712	0.4
168.06548	4.6
169.10168	0.6
171.11778	0.4
174.99251	1.2
175.07513	9.0
175.99614	0.4
176.08179	0.7
176.10750	0.5
176.98940	1.5
177.09151	0.5
178.05928	0.7
179.08542	1.3
181.10146	0.6
190.08670	0.7
192.10155	2.9
193.10951	2.2
194.11790	0.8
197.06044	0.4
207.08063	1.4
223.04185	0.4
225.09161	1.3
227.07071	0.5
227.10670	1.0
235.07616	1.1
253.08646	2.3
255.10211	0.8
269.11871	0.6
270.08780	0.6
285.11148	10.2
286.11554	0.6
287.12698	4.0
294.18491	0.9
298.14252	0.5
312.19510	20.4
313.20099	1.1
315.11090	0.7
330.13242	4.5
330.17038	96.9
330.20691	32.2
331.17358	6.0
331.20947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1695
Annotation	Dehassiline
Peak:m/z	Relative Intensity
58.06567	0.7
61.51331	0.3
62.06047	0.5
69.07032	0.9
69.66338	1.1
72.08141	0.4
77.31870	0.4
79.05461	0.5
81.07034	0.8
86.06027	1.1
91.05466	2.7
94.04144	0.7
95.04937	0.6
98.23348	0.7
98.98444	8.0
105.07026	0.4
107.04922	0.5
109.06475	0.9
115.05431	5.4
116.10669	0.3
117.06982	0.5
119.04886	1.6
121.06480	0.4
122.03624	2.8
127.45751	0.4
129.06946	0.6
131.04887	0.4
135.08073	0.5
137.05954	36.9
138.06264	1.1
143.04897	19.6
147.24991	0.4
149.05937	1.0
149.08279	0.7
151.07538	4.6
160.05173	2.0
160.07542	0.4
163.07512	0.7
167.08537	0.9
168.06541	0.5
171.14944	0.4
174.09007	0.4
174.99324	0.4
175.07504	11.8
176.07953	0.4
177.07813	12.9
178.08449	0.8
179.08424	1.9
189.06879	0.4
192.10161	100.0
193.10533	3.9
195.08034	1.6
198.11215	3.3
207.08011	3.2
209.09599	0.6
211.07648	0.5
216.12256	3.2
223.07420	0.7
224.08336	0.7
227.10611	1.3
235.07462	1.8
239.10629	1.9
253.08473	0.5
255.10190	1.0
267.10107	2.8
284.10352	0.6
287.12781	0.7
298.03461	0.5
299.12726	5.6
301.14465	0.4
312.18332	0.5
330.05042	1.7
330.16977	43.0
330.20554	6.7
330.24219	2.1
331.17337	3.0
331.20865	0.7
340.41382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97402	0.1
52.56498	0.1
56.05025	0.2
58.06593	2.8
61.39830	0.2
67.05478	0.3
68.75340	0.1
69.03418	0.3
69.07048	0.2
69.72125	0.3
69.72491	0.4
70.06581	0.7
73.39053	0.1
73.59581	0.2
74.06091	0.2
79.05466	0.2
81.03407	0.2
81.07044	0.2
86.09731	0.2
91.05459	0.3
93.07024	0.3
95.04964	0.2
97.02886	0.2
98.23436	0.3
98.98456	12.1
100.46705	0.2
100.98885	0.2
105.06990	0.5
105.53564	0.2
107.04947	0.2
108.08102	0.1
116.07037	0.3
116.99456	0.2
117.07012	0.2
123.04397	0.5
131.08554	0.4
137.05974	0.3
142.40390	0.2
143.08563	0.3
143.80701	0.2
151.07506	0.5
155.34445	0.2
165.07051	0.2
168.06544	0.5
174.99193	0.5
176.98933	0.7
223.38045	0.2
284.09879	0.2
285.11072	0.4
294.18491	0.3
312.19534	2.0
314.10419	0.2
315.10956	0.4
330.20569	100.0
331.20901	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	330.2059
Annotation	Kusnesoline
Peak:m/z	Relative Intensity
58.06580	0.4
63.52639	0.1
66.90530	0.1
67.05482	0.2
69.07038	0.2
69.71438	0.3
69.71823	0.3
70.06574	0.4
79.05485	0.3
81.07031	0.3
84.08180	0.1
91.05470	0.3
93.07018	0.4
94.06539	0.3
95.04937	0.1
95.08588	0.4
95.41759	0.1
95.76051	0.1
96.08107	0.2
98.98449	2.5
105.07001	0.5
107.08569	0.2
108.08058	0.3
113.12238	0.1
117.06998	0.2
119.08552	0.4
121.06461	0.3
129.07014	0.2
131.08540	0.3
133.10117	0.2
134.09590	0.2
135.08025	0.1
143.08542	0.5
145.10066	0.3
146.09708	0.1
147.08104	0.2
148.11150	0.2
152.03902	0.1
155.08511	0.4
157.10092	0.4
158.09601	0.2
159.07967	0.1
159.11642	0.2
160.11180	0.2
167.08560	0.1
168.06595	0.1
169.10080	0.5
171.07951	0.1
171.11652	0.2
172.11177	0.2
173.09509	0.2
176.98833	0.2
179.08472	0.3
181.10069	0.4
183.11661	0.2
185.09622	0.2
193.10109	0.4
195.11681	0.3
197.09644	0.1
207.11684	0.3
211.14697	0.2
221.13039	0.1
223.14813	0.2
235.36084	0.2
237.16481	0.1
238.15916	0.1
249.16280	0.2
250.45924	0.1
265.15219	0.1
266.19031	0.9
269.10468	0.1
273.01700	0.1
284.20187	0.2
286.59927	0.1
294.18417	1.4
297.09842	0.3
312.16705	0.1
312.19498	3.0
330.20551	100.0
331.20898	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	330.206
Annotation	2,7-Dihydrohomoerysotrine
Peak:m/z	Relative Intensity
52.69496	0.1
53.95475	0.1
55.01858	0.1
55.91660	0.1
58.06594	1.0
63.80917	0.1
70.06606	0.1
71.12796	0.1
73.92401	0.1
74.28586	0.1
79.05477	0.1
85.02885	0.1
85.08387	0.1
91.05470	0.2
93.07048	0.1
98.98452	3.5
105.07040	0.2
119.08550	0.1
120.08101	0.2
131.08577	0.2
134.05066	0.1
140.07037	0.1
145.10133	0.3
151.07545	0.2
155.08488	0.1
157.10150	0.2
167.08449	0.1
168.06631	0.1
169.10101	0.2
176.98802	0.2
177.07834	0.1
181.10129	0.3
190.08630	0.2
192.10190	0.6
195.11673	0.2
219.21956	0.1
266.19028	0.2
267.09210	0.2
268.17047	0.2
294.18414	0.3
302.13824	0.3
302.21173	0.2
312.12244	0.6
312.19553	1.9
330.20569	100.0
331.20905	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	330.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45789	1.5
55.01867	3.5
55.05502	36.2
57.03407	1.4
57.07066	3.2
58.06597	8.0
67.05499	14.9
68.96568	1.4
69.03424	4.9
69.07069	8.4
71.08624	5.8
71.19537	2.3
79.01832	1.4
79.05492	12.0
81.03423	2.9
81.07059	12.3
83.04972	2.5
83.08611	26.6
87.04460	5.9
91.05461	3.0
93.07038	6.9
95.04894	1.5
95.08593	4.6
97.10163	50.1
98.98454	100.0
99.08089	4.0
100.98868	1.5
105.07017	3.8
105.76215	1.3
107.01375	1.6
107.08583	13.5
109.10155	3.4
111.08112	1.8
116.99506	2.4
117.06981	1.4
117.37644	1.4
119.08527	3.1
121.10153	1.5
121.35180	1.4
125.09612	45.8
125.10500	2.6
126.12807	2.5
131.97836	1.3
133.10123	2.7
135.08072	4.3
135.11707	1.9
141.33405	1.3
143.10686	1.7
147.11662	1.8
149.13283	1.7
151.11183	3.8
153.01842	1.4
153.09117	2.6
161.13196	1.9
163.11098	1.8
171.10146	6.6
174.99243	5.5
176.98926	5.6
185.13235	1.6
189.11195	77.7
218.21135	2.1
218.29236	1.4
241.19676	2.0
259.20572	1.7
268.20984	1.4
277.21585	35.4
285.10342	1.8
295.22699	2.5
330.13245	6.0
330.16342	4.3
330.20758	2.2
330.30008	4.8
330.33688	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	331.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.5
57.44385	0.5
58.06595	7.8
58.07040	0.6
59.06917	0.9
61.39547	0.5
69.03409	1.0
69.55207	1.6
70.06581	1.1
71.04960	0.6
72.08140	1.3
73.02875	0.6
73.99341	0.5
83.06080	0.7
84.04480	1.1
84.08123	4.1
85.02888	3.4
86.09683	2.3
87.04462	0.6
91.05463	0.6
97.02840	1.4
98.97597	3.7
98.98447	100.0
100.98859	2.9
107.04927	1.2
108.08111	2.2
110.97515	0.9
116.98598	3.0
116.99494	3.0
121.06496	0.8
124.07606	1.3
127.03906	0.7
128.98630	0.8
129.10226	2.4
130.93323	0.7
134.99648	1.2
136.07518	0.7
145.01732	0.7
145.04916	1.0
146.99643	0.6
152.07033	2.5
172.28090	0.5
172.94337	2.0
174.99178	3.5
176.98882	7.6
177.00484	0.7
187.02794	0.9
190.95422	3.0
205.03831	1.0
216.97017	1.0
219.01691	1.2
229.03841	1.2
230.95093	0.6
232.96521	0.8
237.02774	1.6
246.94379	0.8
252.99736	1.0
259.07849	0.6
264.95358	1.3
273.09369	6.7
288.95331	0.8
290.94403	0.7
292.98523	0.7
306.93356	0.6
306.96542	1.8
314.12311	1.3
324.97250	0.6
330.13376	1.1
330.16965	0.6
330.20602	4.1
330.93451	0.6
331.07788	15.1
331.13614	39.2
331.20816	2.6
332.14084	3.2
332.18451	3.3
332.22165	1.4
348.93970	0.6
349.08115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	69616-74-6
Peak:m/z	Relative Intensity
50.03427	0.4
51.02358	0.7
53.03938	1.1
55.01865	1.4
56.41322	0.4
58.06590	0.8
60.64055	0.4
69.77241	1.2
77.03921	1.2
79.05035	0.7
79.05483	12.2
86.54568	0.3
91.05491	0.6
95.04955	5.4
98.98455	23.6
100.98878	0.7
105.04469	2.6
105.07019	1.0
107.04939	100.0
108.05282	2.2
111.04424	0.9
115.87046	0.4
116.99511	0.7
118.08601	0.6
131.04865	0.5
133.06467	1.4
135.04413	0.7
136.01530	0.4
139.03865	0.5
140.01082	0.4
153.01817	0.4
154.02657	0.6
155.03537	0.4
161.05959	0.9
162.03036	0.4
163.03911	0.8
164.04601	2.9
165.05447	1.0
171.06520	1.3
174.99203	0.9
176.04671	6.2
176.98961	1.4
177.05200	0.4
179.03389	0.5
179.07086	0.4
180.04066	0.5
181.04956	1.0
182.02080	1.9
182.05707	1.0
183.06386	0.4
183.07950	0.4
184.19383	0.4
190.02563	2.0
192.04152	3.2
193.04948	1.2
195.02911	0.5
197.04436	3.2
197.08031	0.8
200.03136	2.3
200.52898	0.4
204.04129	3.3
207.02896	0.9
208.03647	1.7
209.04396	4.5
210.05196	20.4
211.05644	0.7
217.34915	0.4
222.05200	18.5
223.05942	5.6
224.06538	0.8
225.07547	39.9
226.07915	1.0
236.20769	0.4
237.07544	39.7
238.07942	1.6
239.07022	2.7
252.07831	2.9
253.08492	0.5
280.07379	0.5
281.08063	0.6
283.06003	0.5
289.03482	0.4
298.08212	2.0
313.10654	25.1
314.10910	0.8
331.11719	47.4
331.18494	1.8
332.12036	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78261	1.2
53.03924	1.9
55.01860	1.6
55.05499	3.2
55.54893	1.2
57.03406	1.5
58.06575	5.6
59.77895	1.1
60.04511	9.8
61.04853	1.5
67.05496	7.8
69.03426	1.4
69.07059	3.0
69.46102	2.4
69.46513	3.7
71.04971	1.5
74.39465	1.1
79.05479	6.8
80.34366	1.2
81.03383	1.4
81.07037	13.4
83.04966	2.7
83.08588	2.5
85.02921	1.2
88.08738	1.2
91.05468	29.2
93.07032	7.7
94.04166	2.4
95.04952	7.1
95.08599	12.4
98.98450	100.0
99.08072	1.2
100.98896	2.8
101.06031	1.3
103.05466	3.9
105.07021	10.4
107.04949	7.4
107.08564	8.0
109.02834	1.8
109.06499	5.9
109.10128	6.3
111.04426	1.7
111.08057	1.7
115.05418	3.1
116.99477	4.0
117.03286	1.7
117.06970	5.7
119.04921	14.0
119.08548	6.9
121.06480	6.1
121.10151	5.6
121.10886	1.2
122.03638	5.9
123.11686	3.3
128.06245	4.8
129.06979	14.2
131.04935	3.9
131.08549	7.1
131.89531	1.4
133.06450	2.2
133.10114	4.5
134.03590	1.7
135.08051	5.0
135.11674	3.1
136.05173	3.8
137.02347	2.4
137.05956	59.3
138.06300	2.8
141.07008	2.9
143.04852	1.8
143.08557	5.9
143.10568	1.5
145.06483	3.2
145.10100	7.5
146.03665	1.2
147.07999	2.0
147.11652	4.9
148.05205	1.4
149.05943	8.5
149.13271	1.2
150.06636	1.4
151.03976	2.5
151.07513	69.6
152.06187	3.3
152.07852	2.3
153.04219	1.6
153.06947	2.6
155.08540	3.2
157.06467	11.1
157.10147	5.5
158.07176	1.4
159.11670	5.0
161.05931	9.0
161.09622	2.7
161.13240	1.8
161.88113	1.1
163.03926	2.1
163.07512	16.7
165.06973	8.7
165.09138	3.7
166.07614	2.2
167.08519	14.0
169.06487	2.0
171.11708	2.6
173.13271	3.3
174.06732	4.9
174.99190	3.7
175.07521	3.7
175.14836	1.7
176.98930	6.2
177.05434	3.0
177.06952	1.4
177.09084	2.5
178.07806	3.2
179.08499	1.4
181.06458	3.8
181.10095	1.5
182.04411	2.2
182.07120	2.8
183.07986	2.3
183.11681	3.8
185.13353	1.7
189.05197	1.2
189.09073	24.9
190.09357	1.5
192.10162	1.5
193.06458	4.9
193.08543	1.5
193.10205	9.1
194.07263	2.2
195.08020	18.2
196.06068	7.6
196.08778	1.8
197.05934	4.8
197.13322	3.1
199.04712	1.3
199.14796	1.4
202.07756	1.8
203.08514	2.3
203.14256	5.2
206.07431	2.2
207.08261	1.4
207.10138	4.4
209.05931	3.3
209.09563	3.6
210.06728	8.2
211.07405	2.8
211.14835	3.4
212.08330	2.8
213.05287	1.4
213.16318	2.1
215.14317	2.4
215.17747	1.9
221.06007	8.2
221.09557	8.8
223.07567	8.6
224.08305	4.4
225.05580	1.3
225.09099	7.7
225.16426	2.9
227.07047	2.7
227.10640	24.1
237.09062	2.8
238.06265	4.7
238.09721	1.4
239.06885	1.8
239.10823	2.2
240.07716	2.3
241.12198	1.6
243.10266	1.5
243.21039	2.0
249.09074	4.2
253.04437	1.3
253.08611	10.2
253.12228	11.9
253.19443	29.2
253.21913	2.1
254.19762	2.0
255.06528	2.2
255.10095	23.3
256.10571	2.5
266.09363	1.2
267.10147	5.4
269.08029	4.1
269.11658	1.7
270.08911	1.4
271.09650	2.5
271.20505	27.3
272.10278	2.1
272.20877	2.1
281.11621	5.8
281.19019	3.7
285.11179	12.7
287.09488	1.5
287.12711	30.4
299.19992	2.5
313.08051	2.0
313.14380	7.9
313.21527	5.0
316.08972	1.4
331.11661	9.7
331.16971	2.6
331.21765	5.7
332.07559	7.5
332.22293	4.1
332.25757	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	331.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85347	1.6
53.88045	1.8
65.03937	2.0
67.05508	2.8
79.05474	5.0
80.67659	1.7
81.07031	4.6
91.05470	35.2
95.04971	8.6
95.08633	2.1
98.98454	100.0
100.98858	3.0
103.05474	6.7
105.07037	7.0
107.04957	9.7
107.08565	2.2
109.06529	4.7
109.10133	2.1
111.04417	1.9
116.99492	2.2
117.03399	2.3
117.06990	2.9
119.04929	19.0
119.08560	3.4
121.06521	5.9
121.91377	1.7
122.03642	6.8
128.06241	5.4
129.07002	16.2
131.04948	6.6
131.08585	2.6
133.06552	1.9
133.10152	2.3
135.08038	6.6
136.05177	1.7
137.05959	82.8
138.06337	2.5
143.04895	2.3
145.06502	4.1
147.08051	2.4
149.05931	13.3
151.03960	4.5
151.07520	98.3
152.06209	6.1
152.07841	2.9
153.07018	3.3
154.07764	2.7
155.06013	2.1
157.06450	12.7
157.10226	2.3
161.05960	24.9
161.09641	6.2
163.07523	21.3
165.06985	14.4
165.09152	5.8
166.07758	3.3
167.07143	3.3
167.08527	20.0
169.06454	2.9
169.10031	1.7
174.06761	8.3
174.99283	2.9
175.07568	5.7
176.98935	7.2
177.06956	2.2
177.09084	2.2
178.07823	8.9
179.08585	2.5
181.06487	7.1
182.07202	4.1
183.08081	2.0
189.09090	43.1
193.06398	9.3
193.10136	8.2
194.07306	4.0
195.08032	30.3
196.05031	2.1
196.08620	2.7
197.06003	7.1
199.07771	2.2
203.08522	2.5
207.10115	9.7
209.05945	3.4
209.09636	2.4
210.06770	10.6
211.07428	8.8
212.08289	6.8
213.08998	2.1
220.08748	2.3
221.05971	10.7
221.09489	11.6
222.06717	2.5
222.10431	3.1
223.07565	13.9
224.08371	7.2
225.05588	3.1
225.09050	12.4
227.07072	4.7
227.10622	34.1
237.09023	3.0
238.06252	7.1
239.06900	3.3
240.07846	5.6
241.12270	3.1
249.09152	6.5
253.08575	15.3
253.12228	15.6
253.19411	3.3
254.09160	2.2
255.10106	31.1
256.10574	3.0
267.07294	1.8
267.10147	6.4
269.08102	6.1
271.20557	3.4
272.10431	3.0
281.11694	5.0
284.10632	3.2
285.08420	2.8
285.11179	23.5
287.12729	44.0
288.13031	3.4
298.12274	2.3
313.08188	3.4
313.14276	11.9
331.08493	2.8
331.11716	6.5
331.15515	5.8
332.25824	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
59.05056	1.7
65.03907	2.5
67.05499	1.9
68.75447	1.5
71.45943	2.0
79.05482	7.4
81.07046	4.3
87.50573	1.8
91.05470	30.2
93.07044	4.8
94.04166	2.9
95.04965	6.4
95.08593	4.3
98.98453	100.0
100.98859	3.9
103.05452	4.2
105.07002	6.7
107.04930	5.9
109.06503	5.3
117.07023	3.7
119.04913	22.0
119.08538	1.9
121.06487	6.1
122.03640	7.0
123.04409	2.6
125.05986	2.0
128.06192	3.7
129.06989	15.8
131.04918	7.4
131.08542	4.7
135.08023	4.9
136.05211	2.8
137.05962	71.2
141.06985	2.0
143.08559	2.1
145.06433	4.3
145.10110	2.1
147.11737	2.3
149.05942	15.5
151.03905	4.1
151.07523	90.7
152.06149	5.2
152.07921	2.8
153.06998	2.6
154.07687	2.3
155.08458	2.8
157.06467	13.0
161.05943	11.8
161.09608	3.1
163.07515	20.3
165.06943	12.9
165.09109	4.2
166.07765	3.7
167.08514	19.0
168.08905	1.8
169.06436	4.1
169.10019	1.9
174.06723	8.0
174.99242	3.7
175.07597	4.6
176.98882	8.8
177.06989	2.0
178.07758	7.2
179.08514	3.2
181.06464	6.5
182.07211	4.0
183.08005	3.4
189.09081	36.6
190.07841	2.1
190.09514	2.4
192.09305	2.6
193.06425	5.2
193.10089	7.7
194.07271	2.4
195.08029	26.1
197.05946	6.6
202.07796	3.1
206.07126	2.4
206.89323	1.7
207.08162	2.1
207.10120	3.5
209.05936	4.3
209.09612	3.4
210.06812	9.5
211.07492	3.6
212.08301	6.0
221.05936	8.0
221.09573	10.5
223.07449	9.7
224.08244	6.6
225.09084	9.9
227.07042	4.1
227.10657	29.0
235.07413	2.2
237.09045	2.0
238.06203	7.4
238.09866	2.4
240.07689	2.2
241.08594	3.7
249.09109	6.3
252.07845	2.3
253.08589	13.4
253.12149	12.3
253.19478	6.2
255.06306	2.6
255.07460	2.8
255.10121	29.7
256.10425	3.2
257.08102	2.0
259.13226	2.0
267.10208	4.6
269.08060	3.8
269.11859	2.0
270.08572	2.3
271.20496	6.9
272.10382	3.4
275.26077	2.2
281.11649	6.9
284.10672	2.0
285.11191	22.2
287.12735	44.1
288.13065	2.7
298.11993	2.3
300.04950	2.3
313.14316	12.3
313.21954	2.2
331.11661	13.6
331.15536	4.6
331.22769	2.3
331.26620	2.1
332.07620	2.7
332.25858	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78261	1.2
53.03924	1.9
55.01860	1.6
55.05499	3.2
55.54893	1.2
57.03406	1.5
58.06575	5.6
59.77895	1.1
60.04511	9.8
61.04853	1.5
67.05496	7.8
69.03426	1.4
69.07059	3.0
69.46102	2.4
69.46513	3.7
71.04971	1.5
74.39465	1.1
79.05479	6.8
80.34366	1.2
81.03383	1.4
81.07037	13.4
83.04966	2.7
83.08588	2.5
85.02921	1.2
88.08738	1.2
91.05468	29.2
93.07032	7.7
94.04166	2.4
95.04952	7.1
95.08599	12.4
98.98450	100.0
99.08072	1.2
100.98896	2.8
101.06031	1.3
103.05466	3.9
105.07021	10.4
107.04949	7.4
107.08564	8.0
109.02834	1.8
109.06499	5.9
109.10128	6.3
111.04426	1.7
111.08057	1.7
115.05418	3.1
116.99477	4.0
117.03286	1.7
117.06970	5.7
119.04921	14.0
119.08548	6.9
121.06480	6.1
121.10151	5.6
121.10886	1.2
122.03638	5.9
123.11686	3.3
128.06245	4.8
129.06979	14.2
131.04935	3.9
131.08549	7.1
131.89531	1.4
133.06450	2.2
133.10114	4.5
134.03590	1.7
135.08051	5.0
135.11674	3.1
136.05173	3.8
137.02347	2.4
137.05956	59.3
138.06300	2.8
141.07008	2.9
143.04852	1.8
143.08557	5.9
143.10568	1.5
145.06483	3.2
145.10100	7.5
146.03665	1.2
147.07999	2.0
147.11652	4.9
148.05205	1.4
149.05943	8.5
149.13271	1.2
150.06636	1.4
151.03976	2.5
151.07513	69.6
152.06187	3.3
152.07852	2.3
153.04219	1.6
153.06947	2.6
155.08540	3.2
157.06467	11.1
157.10147	5.5
158.07176	1.4
159.11670	5.0
161.05931	9.0
161.09622	2.7
161.13240	1.8
161.88113	1.1
163.03926	2.1
163.07512	16.7
165.06973	8.7
165.09138	3.7
166.07614	2.2
167.08519	14.0
169.06487	2.0
171.11708	2.6
173.13271	3.3
174.06732	4.9
174.99190	3.7
175.07521	3.7
175.14836	1.7
176.98930	6.2
177.05434	3.0
177.06952	1.4
177.09084	2.5
178.07806	3.2
179.08499	1.4
181.06458	3.8
181.10095	1.5
182.04411	2.2
182.07120	2.8
183.07986	2.3
183.11681	3.8
185.13353	1.7
189.05197	1.2
189.09073	24.9
190.09357	1.5
192.10162	1.5
193.06458	4.9
193.08543	1.5
193.10205	9.1
194.07263	2.2
195.08020	18.2
196.06068	7.6
196.08778	1.8
197.05934	4.8
197.13322	3.1
199.04712	1.3
199.14796	1.4
202.07756	1.8
203.08514	2.3
203.14256	5.2
206.07431	2.2
207.08261	1.4
207.10138	4.4
209.05931	3.3
209.09563	3.6
210.06728	8.2
211.07405	2.8
211.14835	3.4
212.08330	2.8
213.05287	1.4
213.16318	2.1
215.14317	2.4
215.17747	1.9
221.06007	8.2
221.09557	8.8
223.07567	8.6
224.08305	4.4
225.05580	1.3
225.09099	7.7
225.16426	2.9
227.07047	2.7
227.10640	24.1
237.09062	2.8
238.06265	4.7
238.09721	1.4
239.06885	1.8
239.10823	2.2
240.07716	2.3
241.12198	1.6
243.10266	1.5
243.21039	2.0
249.09074	4.2
253.04437	1.3
253.08611	10.2
253.12228	11.9
253.19443	29.2
253.21913	2.1
254.19762	2.0
255.06528	2.2
255.10095	23.3
256.10571	2.5
266.09363	1.2
267.10147	5.4
269.08029	4.1
269.11658	1.7
270.08911	1.4
271.09650	2.5
271.20505	27.3
272.10278	2.1
272.20877	2.1
281.11621	5.8
281.19019	3.7
285.11179	12.7
287.09488	1.5
287.12711	30.4
299.19992	2.5
313.08051	2.0
313.14380	7.9
313.21527	5.0
316.08972	1.4
331.11661	9.7
331.16971	2.6
331.21765	5.7
332.07559	7.5
332.22293	4.1
332.25757	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.86014	1.5
58.06592	3.1
59.23558	1.5
65.03938	1.4
67.79855	1.4
69.03439	1.3
69.57523	5.6
71.55659	1.4
71.73402	1.2
79.05495	2.1
81.07066	2.6
86.09702	5.0
90.31390	1.2
91.05463	31.6
94.04173	3.3
95.04971	7.0
98.98444	33.6
102.09202	1.3
103.05465	5.5
105.07014	5.2
107.04951	8.6
109.06516	4.5
115.05430	3.2
117.06981	2.4
119.04924	19.9
121.06492	6.3
122.03633	8.6
128.06195	5.9
129.06984	15.3
131.04918	5.1
133.06453	2.0
135.08038	4.9
136.05173	4.6
137.05952	83.7
138.06284	1.6
143.04922	3.2
145.06429	4.2
146.03629	1.5
146.07182	1.5
149.05968	13.9
151.03934	2.3
151.07513	100.0
152.06218	5.0
152.07887	2.8
154.07712	1.9
157.06441	14.2
158.07117	1.3
161.05937	16.2
161.09616	3.9
163.07512	20.9
165.06950	12.4
165.09151	4.1
166.07730	3.3
167.07144	2.7
167.08507	17.5
169.06549	2.2
169.12163	1.5
173.12752	6.7
174.06750	4.9
174.99217	1.5
175.07520	5.7
176.98918	2.7
177.06874	2.5
177.09073	3.4
178.07774	6.0
179.08594	2.0
181.06439	4.7
181.10246	2.0
182.07195	4.6
187.07573	1.5
189.09074	40.3
192.09129	1.6
193.06459	7.5
193.10135	10.4
194.07196	3.2
195.08028	25.7
197.05991	4.8
197.09590	1.8
203.08536	3.5
205.06523	1.9
206.07286	2.1
207.08299	1.9
207.10019	6.7
209.05821	4.2
209.09612	3.6
210.06691	10.3
211.07474	3.9
212.08304	5.3
221.06029	8.7
221.09554	13.0
223.07489	10.6
224.08258	5.2
225.05426	1.9
225.08995	12.3
227.07178	2.5
227.10635	33.0
228.11023	2.4
235.07471	1.7
237.09012	3.6
238.06160	6.1
238.09795	2.6
239.07141	2.6
240.07835	3.7
241.08592	2.3
249.09131	4.3
251.06911	1.9
252.07671	2.7
253.08533	15.9
253.12192	19.3
255.06239	2.6
255.10115	36.5
266.09378	2.5
267.10135	4.9
269.08066	6.2
269.11691	2.4
270.08472	2.1
271.09534	2.1
272.10297	3.6
281.11688	6.5
284.10428	2.0
285.11142	21.4
287.12720	45.6
288.13031	2.7
298.12167	1.7
299.12619	1.8
301.14221	2.0
313.14386	11.8
313.23764	2.2
316.08972	5.7
331.11447	5.3
331.15085	2.3
331.17038	2.1
331.20880	18.8
331.24673	5.9
332.22122	6.8
332.25674	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2239
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
55.05483	2.6
58.06575	3.7
59.38041	1.0
67.05506	1.0
69.51488	1.0
69.89664	1.1
72.77617	1.1
81.07040	1.6
82.17017	1.1
83.08614	1.2
91.05460	3.0
93.07011	1.4
95.08598	1.4
98.98452	30.6
105.07002	1.6
145.10081	2.0
158.32750	1.1
174.99203	1.6
176.97351	1.2
176.98898	2.6
191.39325	1.1
198.41762	1.1
215.10913	1.4
250.83018	1.1
331.22363	100.0
331.33548	5.5
332.22653	7.1
351.09174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05505	100.0
58.06581	1.4
67.05486	6.9
68.84424	1.1
69.07061	2.9
69.41589	5.0
71.04968	1.4
72.08149	1.4
73.77132	1.0
78.65853	0.9
79.05493	9.4
81.07051	8.3
83.08610	40.5
90.31607	1.1
91.05462	8.7
93.07026	12.4
93.94147	1.0
95.04973	1.3
95.08591	5.6
98.22659	2.1
98.98457	17.9
101.05993	1.1
105.07027	9.9
107.08572	6.5
108.71808	1.0
109.10136	3.3
117.07009	1.9
117.57526	1.3
119.08555	8.7
121.10102	5.8
131.08537	2.7
133.10118	7.2
135.11719	6.2
135.12636	1.1
143.08614	1.6
145.10092	3.0
147.11673	8.0
149.13243	2.2
157.10153	2.7
171.11668	1.7
187.14752	1.6
189.16364	4.1
207.64879	1.0
213.16354	3.4
231.17397	3.1
249.18466	17.3
331.26389	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	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	9.8
57.03421	4.7
57.07070	81.3
58.06580	2.8
58.07389	2.2
58.92384	1.3
67.05495	15.9
69.07057	11.9
69.87960	2.8
69.88300	1.5
70.06588	8.2
71.06905	2.9
71.08623	50.2
75.04453	2.8
77.67291	1.2
79.05482	1.9
81.07048	25.4
83.08606	21.4
84.08936	1.4
85.10168	27.9
87.04433	1.4
88.07619	11.5
89.06010	1.7
89.07936	2.2
90.30128	1.2
93.07043	2.0
95.08594	39.3
97.10163	9.7
98.98452	38.9
99.11710	1.7
102.09164	4.1
106.08656	5.6
107.09085	1.3
109.10149	18.8
111.11679	2.3
123.11681	9.0
125.13281	2.7
137.13219	3.2
176.98901	2.5
221.22595	2.8
239.23679	11.3
257.24753	3.5
287.31479	1.9
313.27316	43.0
313.33005	5.5
314.27676	2.8
331.33945	100.0
332.34317	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	332.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86160	0.3
58.06577	0.5
65.03930	4.3
90.16023	0.4
93.03384	1.0
98.98483	2.4
99.76812	0.5
111.04445	0.9
121.02847	72.3
122.03204	1.3
125.05956	3.7
137.04698	0.7
150.05409	0.5
152.07040	13.9
180.06525	100.0
181.06842	2.8
206.04425	2.3
212.09129	12.6
300.08600	27.6
301.08832	1.7
332.12024	0.5
332.25604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.4
55.37617	0.3
56.05033	0.8
57.07066	1.0
58.06594	1.6
60.04512	0.7
65.03930	4.0
65.43746	0.3
65.85803	0.3
69.95039	1.0
71.08640	0.5
74.06070	0.7
83.04959	0.4
88.07610	3.3
91.05474	0.9
93.03402	1.2
98.98457	2.6
111.04447	1.2
112.71692	0.3
118.08624	0.7
121.02850	72.4
122.03174	1.3
122.08126	1.1
125.05979	3.4
137.04742	0.4
152.07042	13.0
180.06528	100.0
181.06891	2.1
189.21785	0.4
206.04449	1.6
212.07147	0.8
212.09161	14.5
238.21040	0.4
257.11826	0.4
258.11905	0.6
284.29398	3.0
289.14063	0.4
300.08612	32.2
301.08878	1.6
314.30597	0.5
331.30313	0.5
332.18933	0.6
332.25616	0.7
332.31573	8.3
333.20169	1.8
333.23825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.0
56.87144	0.6
56.96565	3.5
57.07059	0.6
58.06587	4.5
65.03919	1.8
66.92290	0.5
67.05481	1.5
71.08643	0.6
74.06060	1.0
81.07053	1.1
88.07615	2.2
91.05473	1.0
95.04958	15.8
95.08580	1.2
97.96786	1.0
98.98457	5.3
105.06963	0.8
107.08601	0.6
108.02081	1.1
109.10178	1.0
110.03645	1.1
110.97580	1.1
111.04525	0.6
119.08536	0.8
121.02836	1.7
121.10149	0.7
121.65049	0.6
122.06023	6.7
122.08183	0.7
123.04417	6.0
126.08883	0.6
128.98560	2.2
133.10185	0.7
136.07567	0.8
141.05443	5.4
141.95964	0.6
145.40138	0.5
146.99615	1.2
150.05489	32.5
151.03888	100.0
152.04236	2.2
161.01242	0.7
176.03395	1.8
176.98903	0.6
180.06529	2.6
182.08119	12.5
186.51617	0.6
222.14784	0.6
274.48657	0.6
284.29407	1.3
300.08588	13.6
315.16223	7.4
331.15610	0.7
331.33914	0.9
332.14499	0.8
332.22208	1.1
332.25980	1.2
332.31143	7.6
333.17331	13.4
351.18347	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01862	2.9
56.05178	1.7
57.03435	2.8
58.06595	2.4
61.02929	13.0
67.38335	1.6
69.03424	13.8
71.04999	2.4
71.34133	2.2
72.08144	2.1
73.02916	5.3
75.56613	1.6
79.05479	2.3
81.03398	7.1
84.08146	3.5
85.02895	100.0
86.09679	4.0
87.04447	2.9
89.54005	1.7
91.03944	5.7
97.02885	20.1
98.98457	21.0
99.04438	4.9
107.04948	34.5
107.47098	1.7
108.08135	2.9
109.02869	5.7
123.04395	5.5
127.03903	18.5
129.10190	2.3
135.04388	9.1
137.05904	2.8
137.44664	1.8
137.70293	2.1
145.04948	38.6
153.05449	15.4
163.06013	6.5
165.42088	1.6
170.08130	3.3
180.08673	8.5
206.42746	2.1
219.06534	5.8
279.08813	1.8
314.17227	2.5
314.20959	4.3
332.14185	3.8
332.19070	10.1
332.22150	10.5
333.15372	2.1
333.88171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.2
55.26104	1.6
57.03434	4.3
61.02929	9.8
67.31899	1.7
69.03425	16.5
70.55949	3.9
71.04990	3.0
73.02940	4.3
81.03413	7.5
83.01341	2.0
85.02896	100.0
86.09705	4.9
87.04472	3.3
89.00483	1.5
91.03954	6.8
97.02892	24.7
98.98463	13.8
99.04462	5.2
107.04951	36.4
108.08208	1.5
109.02890	7.5
117.06747	1.5
123.04419	3.3
127.03909	23.6
135.04411	10.0
137.05954	3.0
140.84734	1.6
145.04950	40.0
152.07071	2.2
153.05469	14.5
163.06047	7.3
170.08163	4.2
173.06007	3.5
174.52544	1.8
180.08684	8.3
219.06636	4.9
223.34639	1.6
243.44810	1.6
245.20113	1.7
297.09567	2.3
304.04660	2.0
314.21082	3.3
332.13635	2.1
332.22183	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	332.1337
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.64205	0.6
54.44278	0.6
57.03425	1.9
58.66158	0.6
59.71977	0.6
61.02920	2.9
61.13891	0.6
62.34124	0.6
65.03944	1.1
67.05493	2.5
69.03425	7.4
69.52589	2.5
71.04983	1.0
73.02905	2.6
79.05495	1.6
81.03397	2.1
81.05809	0.9
81.07021	0.8
85.02898	8.3
87.04456	2.0
92.04973	0.7
93.05767	1.4
96.08143	1.1
97.02903	4.4
97.18639	0.7
98.22789	0.9
98.97559	1.5
99.04462	1.1
102.16320	0.6
102.37830	0.7
106.06541	6.1
108.08105	100.0
109.02859	1.5
109.08436	1.5
116.78206	0.6
123.06789	3.8
123.53299	0.6
124.07577	18.1
127.03946	1.2
134.05994	11.6
136.07565	14.6
152.07051	71.6
153.07372	1.1
154.08603	2.3
156.19742	0.7
170.08093	9.4
213.05190	2.0
292.38477	0.7
314.12283	35.8
315.12692	0.9
332.13367	44.2
333.13776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01855	0.8
55.67505	0.7
56.96554	1.8
57.03430	1.8
57.18505	0.6
58.01808	0.8
58.06581	1.4
61.02905	3.2
65.03942	1.1
67.05492	2.1
69.03416	9.7
70.92806	1.2
73.02892	2.9
79.05473	1.2
81.03397	3.1
81.07059	1.0
84.08118	0.9
85.02894	14.7
87.04434	2.4
91.03936	0.7
91.05502	1.0
93.05756	1.1
96.08107	1.2
97.02863	5.7
98.97568	1.9
98.98445	1.6
99.04442	0.8
104.10709	2.0
106.06530	6.4
107.04961	1.6
108.08099	100.0
109.02853	1.5
109.08450	2.3
109.76879	0.8
116.98594	1.1
123.06785	4.1
124.07574	17.4
127.03878	3.5
134.05994	10.9
135.04375	2.0
136.07564	13.4
137.05992	1.5
145.04924	2.2
152.07043	87.3
153.05463	1.4
153.07437	1.5
154.08589	1.6
158.99648	1.0
170.08090	12.7
170.09361	0.9
171.04179	1.1
186.99168	1.6
230.98030	1.4
232.40501	0.7
237.02959	0.9
248.99110	1.6
312.26123	0.7
314.12262	42.8
315.12692	2.5
321.10529	1.0
332.13361	54.5
332.21777	1.7
333.13593	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	332.1487
Annotation	Drupacine
Peak:m/z	Relative Intensity
56.05025	0.5
58.06591	100.0
59.06925	1.1
59.07176	0.1
59.29536	0.2
60.04529	0.2
67.05498	0.3
69.03421	0.2
69.07058	0.3
70.06579	0.5
79.05494	0.7
81.03383	0.2
81.07030	1.1
84.04487	0.2
84.08141	0.3
85.02874	0.9
86.09696	1.3
91.05460	0.6
93.07032	0.7
95.04952	0.3
95.08566	0.2
97.02880	0.3
98.97540	0.3
98.98450	5.3
100.98855	0.2
105.07022	0.8
107.04967	0.2
107.08607	0.3
108.08102	0.4
117.07018	0.2
119.08556	0.4
121.06440	0.3
127.03963	0.2
128.69119	0.2
129.07019	0.3
131.08514	0.5
133.10094	0.3
135.04385	0.3
135.07977	0.2
137.05956	0.4
139.01245	0.2
140.07077	0.2
141.06886	0.2
142.07730	0.3
143.08588	0.3
145.10110	0.4
147.08063	0.2
152.07005	0.3
153.05466	0.5
155.08540	0.7
157.10106	0.5
159.08015	0.2
168.06580	0.2
169.06490	0.2
169.10104	0.5
170.11577	0.8
171.07953	0.3
173.09612	0.6
175.11147	0.4
176.98936	0.6
183.08011	0.2
185.09697	0.2
187.11168	0.2
191.06920	0.2
199.07486	0.4
199.18042	0.3
209.05983	0.4
211.07523	0.4
217.04941	0.6
227.03429	0.2
227.07001	0.5
239.17934	0.3
241.08580	0.3
249.16261	0.4
250.34479	0.2
253.15848	0.4
255.06496	0.4
267.17352	0.9
268.17776	0.2
269.07935	0.6
273.15897	0.2
279.17355	0.3
287.05646	0.2
287.09250	0.5
296.19940	0.3
301.15268	0.4
309.08487	0.2
314.13681	0.3
314.21170	1.5
325.72549	0.2
332.14923	12.7
332.22086	16.8
333.11398	0.3
333.14819	0.8
333.18259	0.5
333.22083	1.0
352.18726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2216
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
51.82215	0.3
58.06596	0.5
58.21656	0.3
67.05479	1.0
69.63428	0.4
69.63766	1.3
70.06570	1.8
79.05477	2.0
81.07046	8.5
85.02904	0.4
86.09696	0.5
91.05460	3.2
93.07032	3.1
95.04969	0.8
95.08574	0.7
98.97508	0.4
98.98471	1.9
105.07023	2.7
107.08604	1.6
109.06464	0.4
117.06997	1.6
119.08546	2.7
121.06506	1.5
121.23670	0.3
129.06992	2.3
131.08536	3.9
133.06416	0.4
133.10094	0.9
135.08035	1.9
141.06975	1.3
142.07793	1.0
143.08530	2.4
145.06540	0.4
145.10081	2.9
147.08031	0.8
147.11641	0.5
154.07785	0.6
155.08533	3.9
157.10107	3.3
159.08018	1.0
159.11673	0.6
161.09572	0.4
167.08527	0.4
169.10089	3.1
171.07956	0.8
171.11722	0.6
173.09598	5.2
175.11134	3.1
175.12503	0.5
181.10065	1.3
183.11668	1.0
185.09601	0.9
187.11195	1.0
193.10071	1.3
195.11707	0.6
199.11166	0.7
207.11668	1.0
211.11221	0.5
211.14844	0.6
220.29985	0.4
221.13190	0.5
225.12677	0.4
225.16321	1.5
239.14207	0.4
239.17850	1.6
249.16304	2.1
251.18018	0.5
253.15854	1.6
261.16507	0.5
267.17389	9.7
268.17615	0.5
279.17407	1.2
286.89758	0.3
296.20099	1.6
314.21057	1.4
332.22141	100.0
333.22488	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	332.2579
Annotation	Kisantamine
Peak:m/z	Relative Intensity
50.08818	0.1
50.60609	0.1
55.05487	0.1
58.06591	0.9
62.11875	0.1
64.67769	0.1
65.42845	0.1
67.05495	0.2
69.07071	0.1
69.33512	0.1
69.33919	0.3
79.05492	0.2
81.07040	0.4
83.08607	0.1
85.02847	0.1
86.09703	0.1
91.05473	0.2
93.07026	0.2
95.04927	0.1
95.08589	0.3
98.98452	0.5
105.07011	0.9
107.08566	0.2
109.10168	0.2
117.06986	0.2
119.08557	0.3
121.02806	0.1
121.10172	0.2
122.04647	0.1
123.11732	0.1
129.06966	0.1
131.08542	0.3
133.10104	0.2
135.11676	0.4
137.02338	0.1
141.06894	0.1
143.08505	0.4
145.10114	0.3
147.08055	0.1
147.11647	0.2
157.10126	0.4
159.11726	0.1
161.13240	0.1
164.14070	0.1
169.10065	0.1
171.11641	0.4
173.13007	0.1
183.11632	0.2
189.12761	0.1
196.06010	0.4
197.13319	0.2
215.18004	0.1
253.19472	0.8
259.11874	0.1
271.20508	0.3
287.09042	0.1
291.14444	0.2
300.04907	0.1
314.24786	0.3
332.25766	100.0
333.26105	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66068	0.6
55.05505	1.3
56.04774	1.0
56.05032	14.1
57.07071	8.7
58.06592	9.2
60.04521	3.3
67.05505	1.0
68.05019	0.7
69.07040	0.8
70.06535	0.7
70.56702	0.9
71.08619	4.8
72.04491	0.7
74.06069	12.4
79.05484	1.0
81.07015	0.9
85.10175	2.5
86.06048	1.6
88.07620	43.7
91.05466	1.0
98.98445	6.1
104.07130	1.2
105.07026	1.3
107.08598	0.6
118.08628	6.9
121.06551	0.6
122.08135	6.8
125.22459	0.6
133.10138	0.7
152.07042	1.5
173.13168	0.9
180.06522	2.7
181.06876	2.1
182.07094	2.8
215.91747	0.6
227.62259	0.6
252.26854	0.6
270.27921	0.8
284.29434	32.5
285.29776	2.2
314.30463	2.7
332.10306	3.9
332.18945	6.3
332.31537	100.0
333.20258	2.0
333.31912	6.1
335.64587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51407	0.9
55.05490	1.9
56.96283	1.9
56.96560	38.3
57.03427	1.1
58.06586	4.2
67.05476	4.4
68.76039	1.0
69.07053	1.3
71.95250	4.2
71.96863	1.0
72.96041	2.0
79.05466	3.1
81.07030	4.6
84.96011	1.7
91.05445	5.0
93.07026	4.6
95.04945	4.8
95.08577	3.8
96.05267	1.9
97.96793	5.4
98.22614	2.3
98.97573	2.3
98.98466	7.1
102.01099	1.2
105.00136	1.5
105.07024	3.2
107.08572	3.4
109.06505	1.5
109.10118	2.4
110.97568	13.7
115.97818	5.2
116.98598	1.6
117.06987	1.3
119.01683	1.2
119.08518	2.2
119.88468	1.0
121.06438	1.1
122.87937	1.2
123.01164	1.6
128.98596	23.4
133.10095	1.4
137.02434	3.0
140.98418	1.2
141.05441	1.4
143.00096	2.5
146.99629	14.1
147.11589	1.4
150.05481	4.2
151.03905	11.0
151.05801	3.5
152.00177	1.1
152.04236	12.3
161.01210	2.8
165.00685	2.9
165.12727	4.4
166.05029	1.5
171.03270	1.7
174.98802	1.0
175.02666	1.3
176.03528	1.7
182.08060	1.3
183.03287	1.1
185.04791	2.2
189.04356	2.8
190.05089	2.4
203.05864	2.6
207.06865	1.2
225.07895	1.4
226.08572	1.1
227.09433	1.5
241.11363	1.4
259.77472	1.1
263.09488	3.9
265.11041	1.3
270.11539	1.2
274.11710	1.2
277.11038	1.3
281.10464	1.5
289.11102	1.4
301.08978	3.5
303.12573	2.7
313.14764	1.4
315.16245	64.5
316.16556	3.4
331.15768	3.8
332.30841	3.1
333.17255	100.0
333.20218	4.6
333.24017	3.5
333.31479	2.6
334.17667	5.7
334.23956	2.1
334.27740	1.3
351.18365	16.8
356.18924	12.9
357.19113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1902
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
51.98803	12.1
52.52077	15.9
53.80820	12.5
55.01856	19.7
55.05502	37.3
57.03423	44.3
57.07064	53.7
58.06580	55.7
67.05473	23.6
67.98842	13.2
69.03427	31.8
69.07056	26.9
69.14332	13.8
69.22075	81.9
71.05003	14.0
79.05482	18.8
81.03406	40.5
81.07072	77.5
83.04954	38.3
83.08575	18.4
85.02892	100.0
85.06521	23.4
93.07020	41.5
95.04940	18.1
95.08620	29.1
97.02888	21.8
98.98450	79.7
99.08062	39.0
103.03938	19.7
105.07019	21.7
107.08583	38.9
109.06516	53.4
109.10144	56.8
111.08057	37.0
119.08536	19.6
127.03854	15.3
127.11171	62.5
131.08566	15.1
135.08032	39.9
135.11717	17.3
137.02283	21.9
137.09564	21.9
139.11081	14.2
145.04922	28.0
149.09583	23.6
151.03816	14.5
151.11169	60.0
153.12740	86.1
155.14302	70.3
166.04958	26.2
171.13795	32.0
171.83342	16.6
177.12723	31.5
195.13763	46.9
197.06348	17.7
246.46536	14.0
253.14372	37.2
299.68268	13.0
315.21649	17.1
333.07724	23.6
333.22302	51.8
333.26120	75.7
334.23810	23.0
340.53955	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12914	0.6
58.06582	0.9
69.39123	1.8
72.49031	0.4
81.03414	0.4
81.07014	0.4
87.76381	0.4
88.07607	0.8
98.98444	1.0
172.60693	0.4
235.13071	0.8
242.24724	0.9
244.28889	0.5
251.12535	0.7
274.11694	0.5
302.06693	0.6
315.19174	0.9
333.20303	100.0
334.20602	6.2
334.29358	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20633	0.4
55.48457	0.3
67.44466	0.4
69.32282	2.1
72.28805	0.4
78.15810	0.3
98.98438	0.6
121.19611	0.4
181.46556	0.4
207.47890	0.4
256.36749	0.4
263.12424	1.0
333.20300	100.0
334.20642	6.5
336.21942	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07047	0.6
58.06597	0.8
69.97483	1.1
77.12460	0.6
88.07636	2.9
98.98467	1.4
104.67123	0.5
128.89059	0.6
131.21407	0.6
132.10222	0.7
137.02293	0.8
180.79689	0.6
189.33347	0.7
197.97887	0.6
229.53214	0.6
242.24722	2.0
245.52426	0.6
333.20294	100.0
334.20709	5.8
334.29419	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83963	0.5
58.06588	1.0
60.40041	0.4
64.37061	0.4
64.79261	0.5
69.96484	1.3
79.05449	0.5
88.07608	0.9
98.20368	0.5
98.98444	1.3
116.11137	0.5
137.02342	0.8
166.05011	0.6
195.09892	1.5
224.51501	0.4
242.24582	0.7
268.43027	0.5
333.17117	3.8
333.20300	100.0
334.16937	0.6
334.20657	7.2
334.24597	0.8
334.29285	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52975	0.5
57.07709	0.4
58.06581	1.6
70.68986	0.5
73.42851	0.5
75.06535	0.4
81.07069	0.5
88.07627	0.9
95.03964	0.4
98.23518	0.8
98.98473	2.6
137.02307	0.9
166.04936	1.2
176.98897	0.6
235.12952	2.1
251.12566	0.8
302.06436	0.6
333.20282	100.0
334.20621	6.6
334.24240	1.1
334.29480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26484	0.7
52.60365	0.5
57.02726	0.5
62.47969	0.5
63.95404	0.6
69.88416	0.6
70.93926	0.8
91.48477	0.5
98.98456	1.2
110.57850	0.5
112.03963	0.8
134.71594	0.6
180.06520	1.4
301.08139	7.2
313.18533	0.6
333.20303	100.0
334.20767	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05507	9.1
55.27428	1.2
57.03417	5.4
57.07063	6.5
58.06587	4.0
58.07401	2.6
62.71887	1.3
65.70799	1.4
67.05494	21.4
69.07054	7.0
70.06595	6.8
71.06907	2.0
71.08618	3.4
72.04511	5.8
79.05482	14.7
81.07041	19.3
85.06562	1.9
88.07619	10.0
89.07940	4.9
91.05470	10.1
93.07016	13.3
95.04955	4.2
95.08595	14.7
97.06517	2.1
98.98443	11.7
102.09155	2.4
103.09512	1.7
105.07021	11.3
106.08664	3.0
107.08511	9.7
109.06519	5.6
109.10128	5.4
117.06991	1.4
119.08566	7.8
121.06478	5.7
121.10121	7.3
129.05463	4.0
131.08539	5.5
133.10130	4.9
135.08105	2.5
135.11699	4.0
137.02304	2.8
145.10130	4.1
147.11646	3.8
149.09567	2.1
149.13246	2.9
155.22159	1.6
157.10066	2.0
159.11705	3.3
161.13263	1.9
165.12744	6.1
166.05006	2.2
177.12741	5.0
211.97214	1.4
224.41319	1.4
236.20093	2.5
236.68938	1.9
248.62601	1.4
274.11823	2.4
289.21603	5.7
314.33090	3.6
315.33347	2.9
332.34277	57.6
333.16870	6.1
333.20294	100.0
333.24200	38.8
333.34558	45.2
334.20642	9.3
334.24200	2.6
334.27576	2.2
350.62729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
58.06583	10.7
67.05480	4.6
69.07045	4.0
70.57017	4.3
71.03815	2.0
74.86295	2.2
76.21821	2.0
81.07047	6.8
91.05476	6.7
92.97644	1.9
93.07021	5.4
95.08598	5.1
98.98454	14.6
105.07033	2.0
119.08556	3.6
121.10143	2.7
131.10313	2.0
133.10115	4.6
135.11682	2.5
145.10092	2.4
147.11708	2.4
158.73888	2.2
166.05009	2.7
207.55006	2.1
217.09586	2.4
273.21918	2.6
274.11945	2.2
287.21524	2.3
315.19315	41.7
332.34125	5.6
332.40854	2.3
333.13882	10.7
333.16800	4.8
333.20309	100.0
333.23801	3.6
333.30936	3.7
333.34622	5.3
334.20676	8.4
334.24368	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2418
Annotation	Sarcophytonolide A
Peak:m/z	Relative Intensity
54.51877	0.6
55.05494	2.5
57.60065	0.6
58.06586	1.2
59.04996	1.0
62.46998	0.5
67.05486	4.8
69.07056	1.8
70.09513	0.6
71.43778	0.8
73.06538	0.9
75.04467	23.5
79.05485	6.0
81.03403	0.8
81.07037	9.8
83.08602	1.6
91.05462	5.8
93.07032	7.1
95.04966	1.3
95.08594	11.7
97.10150	1.6
98.98449	7.2
98.99497	0.7
99.08108	1.7
101.06010	0.8
105.07011	8.3
107.08582	8.6
109.06491	1.2
109.10139	5.4
117.07004	5.6
119.08571	5.9
121.10129	5.6
123.08057	1.2
123.11694	2.1
127.03907	0.7
129.06984	1.4
131.08542	6.0
133.10120	5.9
135.08063	0.7
135.11659	4.1
137.02335	5.0
143.08566	3.6
145.10101	6.1
147.11668	7.0
149.09637	0.7
149.13232	1.1
155.08507	1.5
157.10097	4.0
159.11678	5.5
161.13249	2.8
163.11256	0.9
166.04977	4.8
169.10112	1.2
171.11661	1.8
173.13266	4.8
175.14799	1.2
177.12843	0.8
183.11646	2.5
185.13232	2.6
187.14734	1.1
197.13246	2.2
199.14813	3.2
201.12730	0.6
201.16354	1.7
209.13156	0.8
211.14798	1.3
213.16394	0.9
223.14706	0.8
229.19511	4.0
239.17897	10.4
241.19504	1.3
255.20973	5.9
257.18939	8.2
265.19519	1.9
273.22064	4.6
283.20520	5.4
301.21542	1.7
302.06525	1.7
315.23083	1.3
333.24176	100.0
334.24643	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	333.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.8
57.07070	100.0
57.36147	1.6
58.06583	4.9
58.54579	1.6
61.22320	1.7
62.64408	2.0
67.05490	4.2
69.07051	6.3
69.82306	1.7
71.08624	94.6
72.04514	14.8
79.05460	3.1
81.07045	5.5
81.08687	1.6
83.10237	1.7
85.10172	52.0
89.06023	69.2
91.05463	5.4
93.07027	5.4
95.04931	3.4
95.08602	7.2
98.98457	5.5
99.11727	3.8
105.07029	2.6
107.07053	4.4
107.08582	3.1
109.06517	5.2
109.10139	3.3
113.13248	2.0
114.09172	4.0
116.70621	1.8
119.08560	4.8
121.10105	1.8
131.08546	2.1
133.08612	13.6
133.10069	3.3
142.40291	1.6
147.11673	2.3
151.09633	33.2
165.12744	12.7
166.04932	1.8
236.20070	6.2
333.16638	2.4
334.27310	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	334.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05503	0.3
58.06580	0.3
58.08618	0.2
60.04517	1.3
65.03937	1.9
66.18939	0.2
67.05496	1.4
68.99754	0.4
69.07047	0.4
70.06573	0.6
75.04472	0.4
81.03402	0.6
81.07033	0.4
88.07603	0.4
93.07020	0.5
95.04950	20.3
95.08560	0.5
96.05310	0.3
97.02866	0.2
105.06989	0.3
108.02069	1.8
110.03613	1.4
111.04426	0.4
119.08542	0.4
123.04408	8.5
124.03957	1.6
124.04708	0.4
127.26693	0.3
137.02290	2.3
141.05437	6.0
151.03874	100.0
152.03358	21.7
153.03700	0.5
166.04965	2.2
178.01303	0.9
179.93954	0.3
184.06018	2.9
228.23267	0.2
244.31845	0.2
272.25705	0.6
302.06525	6.3
303.06836	0.5
316.28494	0.5
333.24158	0.7
334.24722	1.3
334.29309	1.8
334.74673	0.4
335.25180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
57.33342	0.4
57.63567	0.5
61.20203	0.5
63.94470	0.5
73.13670	0.5
81.03401	13.5
96.02109	1.8
97.06526	1.0
109.02877	4.3
111.04414	3.0
122.63080	0.5
127.03896	4.7
137.02318	100.0
138.02701	2.4
138.04498	1.0
138.05484	12.7
166.04976	97.3
167.05321	2.3
192.02849	3.5
198.05830	0.9
198.07588	13.8
228.78300	0.7
246.07481	1.0
256.06021	0.9
284.05484	1.2
302.06549	47.1
303.06857	1.9
333.26056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02819	0.8
51.10107	0.9
51.46788	0.7
55.01860	0.9
57.03423	1.4
57.81284	0.8
58.06580	1.3
61.02906	2.5
67.65327	0.7
69.03416	6.1
73.02905	1.8
73.19007	0.7
80.62540	0.8
81.03407	2.5
85.02893	28.9
87.04439	0.9
91.03918	1.1
91.05465	11.4
97.02895	6.7
99.04467	1.0
105.06937	0.8
109.02851	2.2
119.04924	8.7
127.03909	5.0
135.04359	0.8
137.05960	100.0
137.89558	0.7
138.06302	2.6
144.21774	0.8
145.04927	7.7
149.05948	0.9
151.07533	2.0
155.07014	6.4
155.11281	0.8
163.06049	0.9
167.06996	0.9
172.09654	0.8
173.25552	0.8
179.07005	2.3
203.06984	1.6
245.07907	1.4
263.09067	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.5
58.06597	13.0
61.02917	5.4
69.03425	7.3
71.04969	1.1
71.33288	1.3
73.02898	1.7
81.03403	4.3
85.02897	31.3
87.04497	1.3
91.05470	16.0
97.02879	8.7
99.04425	1.4
109.02873	3.4
109.06509	1.2
119.04927	10.4
127.03904	5.4
137.05962	100.0
138.06313	2.4
145.04922	8.2
151.07434	1.2
155.07021	7.9
163.06053	1.5
167.06995	1.5
172.66765	0.9
179.07018	3.1
180.08669	1.7
203.07033	1.0
221.08040	1.8
245.08199	1.2
251.09138	1.2
263.09100	2.2
291.14423	1.0
334.12711	1.7
344.13596	0.8
346.47736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01865	1.4
55.05502	7.4
56.37984	1.0
56.96574	1.7
57.03429	2.0
58.06593	28.7
58.06864	2.2
59.14160	1.0
61.02922	2.8
66.87334	1.0
69.03425	9.4
69.07072	1.5
70.06580	2.1
71.04982	4.3
72.08148	1.6
72.51037	1.2
79.05492	4.6
80.56873	1.0
81.03404	6.2
81.07048	20.3
81.07500	1.7
82.07404	1.1
83.08623	7.2
84.08173	2.8
85.02894	20.5
85.06543	3.9
87.04472	1.8
91.05470	2.5
93.07051	2.3
95.08608	1.5
97.02894	5.7
97.06508	1.6
98.06059	2.0
98.09692	4.6
98.97559	5.8
98.98468	2.8
99.04441	3.6
99.08089	3.4
103.03930	3.2
103.67297	1.0
108.08110	3.8
109.02885	3.8
109.06501	19.0
110.97559	1.4
111.08114	1.4
116.98599	3.0
120.08085	1.1
126.09138	51.8
127.03893	8.5
127.07536	20.1
136.07568	2.1
137.02315	9.2
137.05980	5.5
138.09053	1.3
145.04941	2.9
154.08607	61.3
155.07008	37.2
155.08372	1.6
155.08894	1.9
162.05502	3.4
166.04985	9.6
172.09663	100.0
173.10027	2.6
190.05013	1.6
213.05421	2.4
219.01816	2.0
229.05016	2.9
237.02805	1.9
243.10938	1.5
257.04428	1.5
269.19113	1.2
271.06161	1.9
275.07968	1.3
289.07065	1.1
293.08954	5.9
302.06516	7.9
302.12091	2.4
311.10287	1.3
316.18988	1.3
316.22568	1.4
329.00330	1.8
334.09018	4.4
334.12857	4.5
334.16391	2.2
334.20059	2.1
334.23553	21.3
335.09836	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01869	5.0
55.05507	11.6
57.03426	8.3
57.07076	7.7
57.29538	1.2
58.06588	4.1
58.46669	1.2
59.64723	1.1
65.03938	1.8
67.05495	36.7
69.07059	13.7
71.08620	12.1
72.04507	77.9
79.05481	24.4
81.03380	1.6
81.07046	41.3
83.04983	1.6
83.08597	2.9
85.06541	3.6
88.07598	1.9
91.05466	15.2
93.07029	28.2
95.04950	19.3
95.08595	39.3
96.08942	1.2
97.06520	7.3
99.08088	5.3
100.07626	2.0
104.01938	1.2
105.07008	13.9
107.08571	18.0
109.06509	24.9
109.10150	10.8
114.09159	19.5
117.07011	3.2
119.08578	10.8
121.06496	4.7
121.10105	10.5
123.08076	2.3
123.11698	3.4
128.10716	6.5
129.06987	1.8
131.08533	7.3
133.10115	11.0
135.07996	2.3
135.11688	3.1
137.02303	6.5
137.09552	1.6
137.13260	1.7
140.10716	1.9
142.12280	3.5
145.10135	5.2
147.11621	5.6
149.09581	2.0
149.13228	6.0
154.12286	2.1
155.08434	1.3
156.13817	2.8
157.10097	1.5
159.11685	3.3
163.11203	2.4
163.14864	3.1
165.12730	100.0
166.04976	6.1
166.13156	2.2
168.13745	1.3
169.10162	1.5
170.15450	1.3
173.13219	5.9
173.68916	1.5
175.11191	3.4
179.14308	1.2
180.13837	5.0
182.15375	15.1
183.11627	2.1
184.13312	2.0
191.14275	9.3
197.13300	1.3
201.12744	6.0
212.16402	10.7
220.16954	15.7
229.19510	4.1
236.20044	37.4
237.20438	2.4
243.21127	1.5
261.22165	1.3
266.21011	1.4
271.20505	6.7
289.21606	9.0
302.06601	2.3
316.26389	5.1
321.23563	1.9
331.01819	1.2
334.24646	3.2
334.27438	44.7
334.74695	1.8
335.21854	3.5
335.25476	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0735
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
60.33688	4.7
65.05661	5.9
70.04522	11.3
98.97581	7.3
128.31026	6.0
335.07266	100.0
335.10913	10.8
336.07797	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	335.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	15.6
58.06594	7.6
69.69352	3.1
70.06574	4.0
82.99808	1.3
84.08125	100.0
84.96006	1.4
85.08492	1.2
95.37544	1.0
98.97561	33.7
101.00867	5.5
110.97561	5.9
112.99122	3.0
116.98596	19.1
119.01908	7.8
122.18115	1.0
124.88650	1.1
127.12290	44.5
128.98579	7.8
130.93246	1.5
131.00145	3.1
131.01804	5.0
131.05513	2.4
134.92589	1.3
134.99651	4.0
143.01869	17.9
146.99594	3.0
149.01128	1.8
149.06581	2.5
155.01857	6.0
155.03712	1.2
158.99593	5.1
161.01245	1.8
161.01462	2.0
161.02922	16.2
162.03026	1.1
163.00713	1.7
172.94324	3.4
173.02942	4.9
173.05078	1.4
173.06511	5.2
176.93605	7.0
177.00661	4.0
181.01732	1.4
185.06557	8.1
185.40796	1.1
187.07948	1.2
190.95351	3.5
190.98682	3.5
191.05927	1.2
191.07596	1.5
194.94627	5.6
201.00591	1.3
203.04008	2.0
212.95750	1.8
214.95345	1.8
215.05829	2.4
215.07668	2.5
219.01695	6.6
220.02866	2.2
221.03101	1.9
221.04997	3.7
223.34573	1.0
224.02231	1.3
232.96413	3.4
232.99699	2.2
237.02777	10.5
238.03731	2.1
241.03830	1.9
250.97470	1.6
256.96445	2.1
257.08722	1.7
266.96793	1.2
269.03192	1.3
270.91840	2.0
271.01318	3.3
274.97543	10.5
275.00629	1.6
275.04044	2.9
275.09686	10.3
288.92453	2.1
292.98801	5.9
293.01907	2.5
293.05371	7.7
293.10742	20.5
300.19415	2.4
310.99344	1.6
318.20465	4.3
329.00427	2.4
335.07095	10.5
335.11118	31.1
335.20026	2.5
336.21588	22.6
353.11206	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.11
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	14.4
57.49806	0.8
58.06586	6.9
65.81614	0.8
67.66311	0.9
69.40966	3.1
69.41373	1.6
70.06588	4.5
70.98092	1.2
84.08131	100.0
84.96024	1.1
98.97569	32.4
101.00875	2.6
110.97542	5.9
112.99110	3.8
113.00858	1.6
115.02467	1.0
116.98610	16.2
119.01173	0.9
119.01922	5.4
123.05511	1.3
127.12296	43.4
128.98590	6.3
131.00153	2.9
131.01898	3.5
131.05545	1.1
134.92563	2.1
134.99638	3.9
143.00162	1.4
143.01892	9.4
143.03746	1.0
145.03429	1.3
146.99615	2.4
147.04411	1.0
149.01160	1.9
149.06586	1.0
155.01840	2.7
155.03775	0.9
158.99652	5.1
161.01216	2.0
161.02956	11.1
161.04874	2.0
163.00630	1.2
165.00740	1.1
172.94347	2.8
172.97575	2.1
173.02948	2.9
173.06583	4.0
176.93633	6.0
176.97369	0.9
177.00708	4.0
185.06569	5.7
189.00871	1.3
190.95399	3.5
190.98552	2.0
191.05927	1.7
191.07635	2.3
194.94662	4.3
203.02246	1.1
203.03984	1.3
203.07677	2.9
212.95789	1.8
215.05823	2.0
215.07643	1.7
216.98503	1.0
218.98460	1.3
219.01765	8.0
219.58632	1.1
220.02768	2.5
221.03169	1.4
221.05083	3.4
224.02290	1.5
232.96425	2.6
232.99838	1.6
237.02798	11.8
238.03838	1.1
238.97047	1.1
241.03842	1.9
256.96378	1.4
266.96860	1.5
271.01221	1.2
274.00436	0.9
274.97449	8.4
275.04230	1.8
275.09814	6.6
284.97723	1.2
286.98083	1.2
288.92856	1.6
292.98694	4.5
293.01987	1.1
293.05328	6.4
293.10687	10.8
300.19455	2.3
310.99420	1.9
318.20566	3.2
334.19824	1.6
335.07159	8.5
335.11044	26.3
335.15958	1.5
335.20276	2.5
336.21628	19.3
352.86401	1.1
353.11240	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
58.06564	0.7
65.03944	0.7
67.05505	0.9
67.88911	0.5
69.03428	0.6
70.69434	0.9
79.05482	0.7
81.03407	1.3
89.58247	0.6
92.04984	0.7
93.03398	1.1
94.06570	1.4
95.08589	0.7
96.04482	1.1
99.73030	0.6
106.39089	0.6
108.04475	1.8
110.06018	1.9
120.04470	1.6
122.06013	3.8
124.03944	0.7
124.07555	1.1
128.06230	1.2
129.06976	2.0
130.06517	0.8
132.08047	1.0
134.06044	0.8
136.03934	0.9
136.07562	5.1
137.02286	4.2
138.02679	2.4
141.06924	1.1
143.08434	0.8
144.08075	3.1
145.81824	0.7
146.05913	1.0
146.08429	1.2
146.09612	0.9
148.03879	1.2
148.07597	0.8
150.05455	1.0
153.06918	0.9
154.06445	1.1
155.07275	1.2
155.08484	1.2
156.08046	3.2
157.08873	1.1
158.05959	1.2
158.08376	1.6
158.09634	3.1
160.07610	2.9
161.10706	0.9
162.05510	0.9
164.07063	1.8
166.05003	5.3
167.05367	4.4
167.06725	0.6
168.08070	1.0
169.03722	1.0
170.08502	0.6
170.09654	4.9
171.06763	1.0
171.09230	1.7
172.07562	8.9
172.09904	2.5
172.11192	1.5
173.10736	4.0
174.07805	1.9
174.09146	2.9
174.11180	0.6
175.08588	4.6
180.07973	0.9
182.08218	0.9
183.09286	1.2
184.06084	1.1
184.07555	11.3
185.07025	0.9
186.07768	1.9
186.09137	6.1
187.08612	2.5
187.12296	6.5
188.09344	1.1
189.10202	5.1
196.07619	1.1
197.08342	0.8
197.10721	1.5
198.09128	13.0
199.06676	0.5
199.08528	4.8
200.07053	12.5
200.09393	6.1
200.11032	0.8
201.10193	13.8
202.08659	1.6
209.07161	0.8
211.08656	5.0
212.07036	3.8
212.08900	0.7
213.06619	2.4
213.10066	1.4
214.07208	2.4
214.08702	2.7
214.10747	1.3
215.08319	3.1
215.11755	17.9
215.13753	1.3
216.08640	0.8
216.10350	1.2
216.12070	1.1
217.09711	7.0
225.10179	2.4
226.08665	7.1
227.08093	7.9
227.11644	0.9
228.06462	3.4
228.08829	3.0
229.09691	32.5
230.10172	2.6
231.11133	0.8
233.08134	0.8
239.08054	2.9
241.09724	2.5
242.08258	1.5
242.10500	2.9
243.11249	31.3
244.11754	1.2
245.09186	32.6
246.09590	1.5
253.09679	8.1
254.08081	1.3
255.07674	0.8
257.09140	13.2
258.09872	2.3
259.10754	6.3
261.12454	1.4
269.09067	0.9
271.10730	100.0
272.11130	5.9
273.12418	3.5
275.10349	0.8
281.09146	14.1
286.06989	0.9
287.10220	32.2
288.10678	1.7
289.11810	8.8
299.10199	26.4
299.13596	1.4
303.06833	7.4
304.07373	0.8
304.10718	0.8
305.11249	7.5
306.11835	0.9
317.11282	17.5
318.11481	1.9
335.12421	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	335.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.5
57.03421	1.1
58.06577	1.4
59.64514	0.4
66.63785	0.4
71.44420	0.5
73.02906	2.7
78.30250	0.4
79.05408	0.5
84.08127	3.8
85.73178	0.4
97.02860	0.6
98.97562	11.6
99.78783	0.4
101.00848	2.6
110.97613	0.9
112.99171	0.6
113.00861	1.1
115.02413	0.6
116.98605	5.9
119.01895	3.7
123.05513	0.6
127.12293	1.5
128.98602	2.0
129.03992	0.8
131.00166	0.8
131.01875	3.5
131.05510	0.9
133.03455	0.8
134.99655	1.9
143.00177	3.1
143.01880	4.6
145.03471	1.1
146.99646	0.6
147.05092	0.5
149.06584	1.6
155.01878	3.4
157.01692	0.6
158.99635	1.2
159.04961	0.5
161.01204	4.3
161.02933	5.1
170.81491	0.5
170.99615	0.9
172.94270	0.7
173.01299	0.5
173.02957	2.4
173.06561	4.2
173.07874	5.6
174.06743	0.5
175.02753	1.4
177.00720	1.7
177.06125	0.7
179.02248	1.1
181.01561	0.5
185.01283	0.6
185.06551	6.0
185.08075	0.7
186.06892	0.5
187.08179	1.1
189.00681	0.9
191.06001	0.7
191.07675	1.8
199.02805	0.6
203.02248	3.1
203.04050	1.2
203.07559	3.0
204.05449	0.6
205.09180	0.6
215.02254	1.3
215.07677	2.1
219.01666	2.1
221.03235	3.0
221.04942	2.5
227.07585	1.1
231.01683	0.6
233.03265	1.1
237.02777	2.9
241.03857	1.2
270.91830	0.8
271.01224	1.1
274.97491	2.1
275.04453	0.8
275.09708	7.6
288.92758	0.9
292.98557	1.0
293.05737	2.2
293.10733	12.1
294.10913	1.1
307.06909	0.7
335.13062	100.0
336.13486	3.4
336.21542	3.3
353.07437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53724	1.8
53.03941	5.2
53.69110	1.6
55.01844	1.5
57.03428	4.5
58.06593	10.1
61.02937	2.7
67.05515	2.9
69.03426	20.0
70.06590	2.7
71.04988	6.6
71.44141	2.2
81.03413	33.5
83.04971	1.9
84.08140	2.7
85.02897	56.6
97.02887	7.6
99.04443	31.0
99.22405	1.7
103.03931	63.1
109.02872	27.4
110.06096	2.1
110.65112	2.0
111.04495	1.7
126.01069	1.9
127.03899	100.0
128.00751	16.8
128.04221	2.8
136.07549	3.0
137.02328	3.2
137.06017	1.9
145.04919	11.1
163.06013	2.7
166.05020	5.0
167.05312	3.4
173.02922	5.5
174.09203	3.8
174.95036	1.8
184.07544	1.8
187.06000	5.2
198.09126	2.8
198.18066	1.7
201.10208	2.6
215.03932	3.2
215.11786	2.4
226.08681	3.4
227.08130	2.2
229.09802	4.1
232.37143	1.7
241.37276	1.7
243.11298	5.3
244.09695	3.3
253.07024	3.2
271.10666	10.4
272.09201	1.7
286.07153	3.2
289.07642	1.5
289.08890	1.5
289.11862	10.8
299.10333	5.2
303.06943	6.2
317.11295	12.3
335.08563	2.9
335.12482	8.9
335.16190	3.6
335.20056	3.2
335.24091	6.5
336.14380	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	335.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49673	0.4
73.11426	0.4
75.39489	0.5
81.07024	0.7
89.57212	0.4
146.46292	0.5
175.55620	0.5
182.71637	0.5
228.94420	0.5
285.21484	0.5
317.20804	2.8
335.21857	100.0
335.75482	2.1
336.12286	0.7
336.22208	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	335.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89905	0.6
51.86383	0.6
52.03913	0.5
55.05498	0.9
56.05003	0.6
57.07060	0.9
58.06588	2.0
60.60493	0.5
67.05489	2.8
69.07051	0.8
70.06563	0.7
71.44115	0.6
72.08150	1.1
74.06057	0.9
79.05476	2.4
81.07047	3.0
88.07616	5.0
88.72150	0.6
89.07945	1.1
91.05456	1.4
93.07032	3.5
94.07352	0.6
95.04917	0.8
95.08578	2.2
105.07004	1.6
107.08560	1.8
109.10090	1.1
117.06974	1.2
119.08553	1.4
119.54308	0.5
121.10129	1.3
123.11707	0.8
130.11389	0.6
131.08528	1.8
132.10168	1.2
133.10107	1.5
135.11679	1.3
143.08569	0.9
145.10097	1.2
157.10066	1.2
159.11690	0.8
167.05403	0.7
185.13348	0.6
199.16389	0.7
220.65137	0.6
242.24716	0.9
243.25070	4.3
250.62990	0.6
265.13892	0.9
286.01566	0.6
287.27585	1.4
293.10361	1.5
293.13635	0.7
305.10608	0.8
317.09442	0.6
321.23801	0.8
326.24759	0.8
334.29370	1.1
334.74918	0.7
335.21829	100.0
335.25360	20.8
335.29843	15.7
335.71768	0.7
335.75446	8.0
336.12146	4.4
336.22177	6.9
336.25818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03938	1.9
55.01869	1.8
55.05503	20.3
57.03432	21.7
57.07071	3.6
58.06584	1.2
65.03931	3.7
65.13657	1.1
67.05498	85.9
68.05837	2.4
69.07066	18.8
71.04996	3.8
71.08609	1.2
77.03947	1.1
79.05486	50.3
80.05814	1.1
80.60500	1.1
81.07048	88.9
82.07389	2.6
83.04960	1.8
83.08616	9.1
85.06551	2.5
91.05472	31.5
92.05785	1.2
93.07034	56.5
94.07374	1.9
95.04961	8.5
95.08595	67.4
96.08959	1.8
97.06541	4.8
97.10159	3.5
99.08073	1.7
99.56553	1.5
100.75014	1.3
105.04498	1.6
105.07024	28.8
107.08575	27.9
107.09245	1.9
109.06500	3.6
109.10146	32.2
115.05456	2.8
117.07034	6.1
119.08564	24.0
121.10125	22.4
123.08097	2.9
123.11705	11.9
124.48386	1.1
128.06227	1.9
129.07010	3.9
130.07797	1.7
131.08559	18.3
133.10118	21.3
135.08078	2.1
135.11671	17.9
137.13269	2.6
142.07782	2.6
143.07574	1.4
143.08507	5.6
145.10123	15.3
147.11673	8.5
149.13239	7.3
155.08531	3.3
156.09322	2.0
157.10094	6.6
158.10869	2.2
159.11690	8.2
161.13271	6.3
163.14841	4.9
165.07034	1.7
169.10143	3.6
171.11705	5.8
173.13272	12.0
175.14867	4.8
177.12749	1.2
179.08612	1.4
181.10077	1.7
185.13214	2.7
187.14819	6.5
193.10139	2.1
194.10867	1.4
195.11765	3.5
197.13257	3.4
199.14825	3.4
201.16362	2.7
207.11697	2.0
208.12318	1.3
209.13310	2.4
211.14912	1.7
221.13255	2.4
223.14783	2.4
229.02594	1.2
235.14847	1.6
243.20992	7.6
261.22058	9.5
277.19412	1.4
279.23419	1.2
317.24802	4.5
321.23590	1.8
335.25754	100.0
335.75311	7.0
336.12299	2.6
336.26102	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	2.2
55.01855	1.6
55.05259	1.3
55.05505	19.8
57.03175	1.5
57.03431	19.5
57.07054	2.3
58.06585	3.0
59.04984	0.9
60.50695	1.1
65.03920	3.7
67.05495	77.5
68.05823	1.8
69.03390	1.3
69.06702	1.3
69.07059	19.1
71.04980	2.4
71.33031	1.4
72.08134	1.7
72.33836	0.9
73.95672	0.9
79.05482	38.0
81.07046	57.7
83.04973	2.9
83.08606	6.9
86.67254	0.9
91.04942	1.6
91.05470	19.1
93.07031	42.0
95.04941	7.9
95.08591	51.1
97.06511	2.5
97.10144	2.6
98.98425	1.7
99.08064	1.2
103.44916	1.0
105.04519	3.0
105.07014	14.1
107.08579	18.9
109.06500	2.4
109.10149	19.0
111.08064	1.3
117.07001	4.4
119.08568	9.2
121.06503	1.2
121.10130	13.8
123.08060	1.9
123.11724	5.0
129.07051	1.0
131.08563	8.1
133.10066	6.6
135.08034	1.1
135.11664	8.7
137.09589	1.2
137.13234	1.2
145.10059	3.4
147.11659	3.0
149.13248	4.6
151.11168	1.4
155.08630	1.1
157.10162	1.6
159.11656	2.3
161.13196	1.6
163.14801	1.0
173.13225	3.3
174.14023	0.9
177.16373	0.9
187.14812	2.0
243.21059	2.3
261.22095	2.9
292.09503	1.1
293.10318	1.3
297.18518	1.0
305.10425	1.1
316.55484	1.0
321.10028	1.4
321.23660	3.0
321.74231	1.2
326.24780	1.1
334.74765	2.0
335.21902	7.8
335.25565	100.0
335.75406	15.8
336.12192	9.6
336.25931	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	336.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	25.7
55.05506	2.0
58.06599	2.0
67.05505	7.3
68.05009	3.0
69.03441	2.3
69.07059	27.1
69.60110	4.9
69.60448	1.8
70.02943	8.5
70.06580	9.1
71.04988	39.6
72.08161	1.8
79.05489	6.8
80.04998	1.4
81.07046	9.2
83.08612	1.6
86.06071	1.5
91.05466	4.0
93.07040	5.0
94.06561	3.5
95.08591	3.1
95.48660	1.3
96.08135	4.0
97.06520	18.2
98.06022	2.0
98.06900	1.5
98.09689	10.0
98.22684	1.9
105.07017	4.3
106.06552	3.5
107.08587	4.1
108.08107	4.6
109.10161	3.1
112.07604	3.1
114.16102	1.5
117.07052	1.7
119.08556	1.5
120.08068	4.3
122.06009	26.8
122.09624	1.7
124.07578	34.9
125.08445	1.6
135.08006	2.5
136.07558	56.1
140.07042	51.1
145.10097	1.7
148.07581	4.5
148.11143	2.4
149.08382	1.8
150.12759	2.0
152.07118	2.2
153.07835	3.3
165.97646	1.4
176.14369	7.5
182.18538	1.4
194.15340	7.6
204.13837	18.3
222.14865	100.0
223.15340	3.9
230.29337	1.4
240.15912	1.8
263.09406	1.7
264.10196	2.4
292.09811	2.0
293.10406	2.4
305.10532	1.9
306.07553	2.4
308.12927	1.7
318.20572	38.9
319.21194	2.2
321.09943	2.0
321.74075	4.0
330.00912	1.4
335.75409	38.2
336.12302	15.4
336.22198	38.9
336.25546	7.0
337.23236	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	337.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08044	1.1
52.07757	1.1
56.96558	66.0
58.06583	2.0
70.06593	1.3
70.93768	1.8
70.98113	23.1
84.08107	2.4
84.96030	11.3
85.02883	1.8
88.99162	8.9
97.02851	1.1
98.97573	100.0
107.00179	2.3
110.97553	31.0
112.99111	8.7
115.00688	2.4
116.98605	40.2
119.00099	1.0
124.95453	4.7
124.99123	2.3
128.97614	2.1
128.98592	44.7
130.12228	1.4
130.93250	2.6
131.00127	7.4
133.01707	10.0
134.99632	13.5
137.05949	1.9
140.00258	1.4
140.98595	7.4
142.96507	5.0
143.00175	5.8
144.98070	2.7
145.01723	1.4
146.99626	29.9
149.01221	3.3
151.02756	4.8
152.94920	2.4
152.98564	4.1
156.98026	6.2
158.99629	13.3
160.97598	2.0
161.01196	5.7
162.99132	2.2
164.07028	1.3
165.00679	12.2
170.95964	8.9
170.99620	8.5
172.94328	3.4
172.97577	1.9
173.01216	1.1
173.98322	1.3
174.99135	24.3
175.02739	8.7
176.07054	4.4
177.00693	12.9
179.02266	2.2
184.97563	4.8
186.99077	1.7
187.02788	1.8
187.93253	1.2
188.97050	18.7
189.00690	15.6
190.95326	3.2
190.98579	2.8
191.02238	3.0
193.00185	22.5
193.01959	1.5
193.03880	4.0
195.01723	1.5
201.00627	3.9
202.98643	9.2
203.02267	1.3
205.00151	6.4
206.98149	9.3
207.01778	8.8
211.02783	1.5
212.97054	4.5
214.98599	1.4
217.00192	18.3
217.03827	4.7
219.01744	34.7
220.99751	5.4
223.01216	5.2
229.03708	1.7
230.98123	18.6
232.96388	2.8
232.99777	2.7
235.01210	9.5
235.04819	1.9
237.00777	2.4
237.02786	43.8
244.99699	12.9
247.01146	2.9
248.99197	6.5
249.02837	2.0
255.03932	4.0
263.00723	40.2
267.03888	1.6
274.97479	4.6
276.56299	1.5
277.02283	20.5
277.05890	30.6
281.01706	5.4
286.02313	1.5
290.96689	1.6
292.98550	3.5
295.03644	3.7
295.06952	78.2
296.07217	2.0
305.01532	3.0
318.08569	1.6
332.10437	1.6
336.14185	1.4
336.21567	3.0
337.04184	2.8
337.07852	22.0
337.21994	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	337.1745
Annotation	12-epi-Fischerindole U isothiocyanate
Peak:m/z	Relative Intensity
55.01826	0.3
55.05502	0.5
57.08144	0.3
67.05489	0.9
69.07036	1.0
71.04944	0.3
79.05472	0.8
81.07035	1.2
91.05450	0.6
93.07008	0.4
95.04947	0.4
95.08585	0.7
98.23460	0.6
102.06238	0.3
105.06965	0.4
107.08569	0.5
109.06490	0.4
109.10162	0.4
110.55129	0.3
121.10105	0.6
126.21804	0.3
145.10127	0.4
153.09045	0.3
173.05440	0.5
235.07495	0.6
247.07571	0.8
262.09814	1.3
278.09299	0.7
293.11728	2.3
310.14209	0.7
322.10754	0.6
336.75558	0.4
337.17435	100.0
338.10080	1.0
338.13840	1.5
338.17807	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	337.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.38763	0.6
55.01864	2.1
55.05503	39.8
57.03430	26.5
57.03637	0.5
57.03721	0.7
57.07066	6.2
59.04996	0.7
64.50171	0.7
65.03937	2.6
67.05496	85.2
68.05827	1.4
68.78041	0.5
69.03408	1.0
69.07059	49.4
69.11680	3.6
70.07388	0.8
71.04980	2.8
71.08623	3.0
71.68517	0.6
73.06559	0.7
79.05479	24.3
79.05940	1.4
81.07046	84.6
82.07383	1.4
83.04971	2.7
83.08112	1.2
83.08607	24.0
85.06538	2.5
85.10185	1.5
91.05467	15.5
93.07030	23.0
94.07358	0.7
95.04956	2.5
95.08594	63.8
96.08941	1.3
97.06530	5.2
97.10150	12.1
97.10739	1.1
98.22638	1.1
99.08077	2.5
105.07014	9.7
107.08578	12.1
107.09247	1.1
109.06510	1.3
109.10143	22.9
110.10500	0.8
111.08077	2.5
111.11710	2.5
113.09657	1.2
119.08574	8.4
121.10127	10.1
123.08068	1.6
123.11691	12.1
125.09619	1.3
131.08577	0.8
133.10115	7.6
133.91891	0.6
135.11679	6.9
137.09641	1.4
137.13232	4.2
139.11142	0.7
145.10109	0.7
147.11673	6.7
149.13203	3.4
151.11127	0.8
151.14799	1.4
153.12746	1.2
161.13211	3.6
163.14793	2.7
165.16376	0.9
175.14732	3.4
175.45927	0.7
177.16289	0.9
179.14198	1.1
181.15839	0.7
189.16396	1.0
203.17909	0.9
234.07028	0.6
245.22655	1.9
247.07503	0.7
247.88774	0.6
259.09460	0.7
262.09979	1.4
263.23651	3.9
278.08630	1.2
279.08734	0.9
280.09644	1.8
293.11700	1.9
294.07626	2.1
294.11002	1.5
306.07547	0.7
309.13858	0.7
310.14178	1.3
322.07153	1.4
322.10800	2.5
323.07855	1.2
337.12946	5.1
337.27322	100.0
338.10150	7.2
338.13852	6.4
338.27606	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	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05505	42.4
57.03430	27.9
57.07064	7.4
63.75197	1.8
65.03918	3.7
67.05495	99.2
68.05830	2.8
69.03439	1.8
69.07060	53.4
71.04990	3.4
71.08627	2.3
79.05478	25.3
81.07046	95.2
83.04939	2.1
83.08608	29.3
85.06526	3.0
91.05469	17.4
93.07030	26.4
95.04965	3.9
95.08595	70.1
97.06516	7.5
97.10146	14.5
99.08056	2.2
105.07016	11.8
107.08576	13.4
109.10128	28.6
111.08121	2.6
111.11726	3.1
111.56035	1.7
119.08589	12.1
121.10125	11.5
123.08080	2.4
123.11678	11.1
132.58826	2.2
133.10132	7.6
135.11664	8.1
137.13229	5.0
147.11664	7.4
149.13249	3.7
151.70930	1.9
161.13275	4.7
163.14769	4.2
175.14769	3.5
177.16341	2.5
207.95389	1.9
219.08214	2.3
235.07426	2.7
236.20778	1.7
236.65527	1.7
245.22618	2.0
247.07639	3.7
253.92931	2.0
262.09903	5.7
263.09418	1.8
263.23621	1.9
264.10110	1.8
278.09210	2.7
279.08762	2.2
280.09604	3.7
292.09488	4.4
293.11697	10.3
294.07590	1.7
294.11261	2.6
310.14432	5.2
322.10660	8.2
337.12677	6.3
337.23572	5.3
337.27322	100.0
338.10080	5.3
338.13858	16.5
338.27719	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	338.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06114	0.4
110.16398	0.4
165.06982	0.7
176.06288	0.5
178.07701	0.7
179.08545	1.2
189.07014	1.7
190.07770	1.7
191.08534	2.2
195.07939	0.7
201.06976	0.8
202.07799	1.2
203.08640	1.1
204.06085	0.5
204.07893	2.4
205.06477	1.9
206.07272	0.7
207.08029	13.7
208.08586	0.7
209.09615	0.9
210.06560	0.6
216.05931	0.6
216.08020	0.6
217.06465	2.1
217.08609	0.9
218.07225	5.2
219.08028	17.0
220.05167	1.1
220.07545	1.8
220.08748	0.8
221.09724	2.7
222.10287	0.5
223.07527	1.2
225.09061	1.4
229.07646	0.9
231.08134	1.0
232.05455	0.7
232.07550	1.7
233.06044	0.8
233.09680	2.8
234.06683	1.4
234.08858	0.7
234.10548	0.8
235.07515	26.0
235.09622	1.0
236.07979	1.5
236.10510	0.9
237.09227	2.4
238.09782	1.2
246.06627	2.2
247.07552	40.6
247.09927	7.6
248.04788	0.8
248.07954	3.6
248.10396	0.8
249.09145	6.5
250.09891	4.8
251.07097	0.5
251.10364	0.5
252.10233	0.9
253.08536	1.0
254.09276	0.6
260.08453	0.8
261.09335	2.3
262.09894	46.9
263.07022	24.8
263.09720	5.8
264.07477	0.8
264.11700	2.5
265.08591	1.8
265.12152	0.6
266.09351	1.6
266.11844	0.5
268.10959	2.7
269.11450	0.5
277.08505	1.0
278.09290	36.9
278.11777	3.8
279.09656	2.0
279.12497	2.4
280.11026	2.6
281.11667	4.1
293.11679	100.0
294.11969	6.3
295.13147	7.2
304.09723	0.9
305.10400	0.5
307.11945	0.6
310.14334	35.9
311.14651	2.2
320.12674	4.0
323.11591	1.2
338.13739	6.7
339.14301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19106	3.2
65.57593	3.0
67.05497	7.4
69.03407	7.9
69.07069	19.7
70.59825	4.5
73.06543	3.9
81.03402	9.5
81.07043	25.1
81.21992	2.5
85.02900	29.8
85.67151	2.8
89.03886	5.6
93.06993	3.7
94.37217	2.8
95.08593	100.0
97.02898	3.9
97.06519	5.7
97.36996	2.9
99.04425	6.6
99.08060	4.9
103.03941	3.1
109.02883	5.2
113.09622	10.8
115.07553	31.1
117.03360	16.6
123.08046	45.5
136.07608	3.4
141.09084	88.4
142.09343	3.8
145.02823	31.4
149.05989	4.6
159.10141	50.9
177.05434	64.2
321.09531	4.5
330.45444	3.1
364.22571	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	339.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	27.5
58.06620	4.3
69.07066	6.9
69.36465	25.7
69.90618	4.5
84.96009	9.9
89.03912	5.3
95.01421	4.8
97.06557	7.8
98.97573	100.0
110.36696	5.0
110.97572	18.7
116.98605	53.4
117.03367	9.5
125.06007	5.8
128.98615	24.6
134.99654	17.9
136.07614	8.0
143.00157	8.9
143.07005	11.1
145.02867	14.5
146.99634	10.3
149.05919	6.5
161.01213	7.1
163.03903	6.1
170.99626	5.9
177.00705	9.2
177.05421	33.4
178.08632	51.9
189.00673	6.9
195.03247	4.8
198.98943	10.5
211.02687	5.0
213.04280	6.6
216.51546	4.7
219.01753	34.9
225.61874	7.3
226.07817	5.6
235.85352	4.9
237.02718	56.9
255.03856	7.6
256.96390	7.7
274.97479	53.0
276.12210	9.8
292.98639	29.1
321.14624	5.6
331.16064	5.0
338.96893	8.8
339.07492	33.4
339.10535	50.5
339.15405	10.5
340.10184	24.0
340.13773	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	339.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02676	6.5
55.08150	7.0
56.96553	18.7
61.02887	7.1
69.03416	20.2
70.64557	13.2
73.02905	8.6
78.89409	6.9
85.02898	32.6
91.33007	7.5
97.02309	6.9
97.02883	25.3
98.97574	100.0
104.10743	15.9
110.97549	22.5
112.99124	13.4
116.98590	30.4
127.03826	11.4
128.98615	18.0
131.00096	7.2
145.02814	9.4
147.04248	7.5
149.02863	12.1
158.99673	44.2
161.01128	8.1
168.03600	14.7
170.99635	16.7
173.01230	11.0
174.99153	8.3
177.00746	31.8
177.04126	27.7
177.05424	8.5
178.04910	9.5
178.08629	40.9
189.00658	13.3
201.00685	12.1
207.01685	9.2
217.00294	8.3
219.01816	39.5
237.02867	23.7
249.06209	42.0
250.07100	9.7
258.06741	26.0
259.07669	10.0
326.17703	7.2
339.08517	43.6
339.15408	9.0
346.25165	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	339.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02373	1.0
53.03931	1.0
55.65308	0.7
56.96550	1.1
57.22009	0.8
69.03416	1.5
69.90406	1.7
85.02892	1.5
98.23404	0.9
98.97569	8.0
111.04392	1.1
116.98621	5.4
117.03364	1.7
125.05980	1.4
134.99623	1.7
136.07584	0.9
137.05943	1.3
139.03925	1.0
143.07040	1.5
145.02831	4.9
147.04422	1.5
149.05870	0.9
163.03882	4.5
177.05402	8.7
178.04958	2.9
178.08588	2.6
180.97858	1.4
187.07314	1.0
198.98891	1.8
205.04961	0.9
255.01682	0.9
263.09274	1.6
274.97455	6.9
292.98569	5.4
294.11948	0.9
321.09637	1.3
339.10446	100.0
340.10773	6.1
340.22830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.80732	0.4
52.23690	0.4
53.03938	1.4
55.01861	0.7
57.03425	0.6
61.02909	0.5
63.02373	0.6
69.03419	9.1
71.04993	1.2
81.03408	12.4
85.02889	4.8
89.03901	8.3
91.05462	1.2
93.07101	0.4
97.02883	2.5
99.04448	1.3
101.02364	0.7
103.04714	0.4
103.05420	0.5
105.03371	0.5
109.02859	4.2
117.03362	26.4
117.64218	0.4
118.03716	0.7
119.04919	0.6
119.08564	0.4
122.06003	1.0
124.07591	0.5
127.03917	3.8
134.03564	1.9
135.04385	1.6
136.07567	1.3
145.02823	61.1
146.03159	2.2
147.04381	1.4
149.04842	0.8
149.05952	8.3
163.03873	2.1
164.07133	0.5
177.05441	100.0
178.05806	3.7
195.06520	2.5
223.49203	0.4
223.80246	0.4
231.59023	0.5
273.78088	0.5
274.23615	0.4
321.06201	0.6
321.09668	10.8
322.09735	0.6
339.10858	2.0
340.22665	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	339.1071
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
61.02895	1.2
63.80616	1.0
69.03418	13.0
81.03411	7.8
83.04967	1.6
85.02896	12.0
87.00823	5.6
89.03896	4.0
91.05461	9.7
97.02875	4.6
98.23487	2.8
99.04449	3.7
105.01847	7.6
109.02885	4.1
117.03358	11.5
119.04929	26.7
127.03896	7.8
136.04753	1.3
137.07106	4.2
145.02835	25.0
145.04898	2.3
147.04385	100.0
148.04733	3.6
149.05978	2.6
160.07492	1.4
166.04951	2.2
177.05424	41.6
191.08118	2.1
193.06067	6.8
205.06071	1.8
219.07607	3.1
221.05574	8.4
223.07042	8.9
231.04962	1.8
231.07457	1.3
247.07179	1.4
257.09140	1.4
261.08783	1.3
321.09933	5.3
339.11819	38.5
339.15927	2.1
340.11829	2.2
340.22684	2.2
345.02802	1.1
355.20740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1072
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03949	1.9
54.01840	0.4
55.01874	0.5
57.03424	1.5
58.06591	15.1
63.02354	0.4
69.03420	7.0
71.04998	0.9
71.44759	0.5
73.02908	0.9
81.03406	23.4
81.71849	0.4
85.02887	6.5
89.03897	9.2
91.05481	1.7
95.04961	0.5
97.02885	1.3
99.04445	2.2
103.05412	0.5
105.07027	0.7
106.04150	0.7
109.02866	7.5
117.03360	25.6
118.03658	0.5
127.03923	1.9
134.03659	2.2
135.04399	1.6
145.02824	61.1
146.03117	2.0
149.05943	7.4
159.08006	0.4
163.03870	1.1
177.05440	100.0
178.05809	3.8
186.05437	0.5
194.05957	0.5
195.06516	3.8
279.08459	0.9
307.09686	0.5
312.15918	0.6
321.09631	20.6
322.09863	0.9
325.12872	0.6
339.10632	2.0
340.11511	0.6
340.15259	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	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.68465	1.3
51.57639	1.5
55.01863	2.4
57.03422	3.3
58.06581	7.0
62.45398	1.3
65.03920	1.4
69.03414	6.4
69.07066	1.6
71.05009	1.4
71.45011	1.7
72.08225	1.6
79.05472	2.2
81.03408	11.0
85.02894	6.3
89.03905	7.7
91.05456	8.2
93.07026	3.7
93.64505	1.7
95.08576	1.8
97.02888	4.2
99.04417	2.0
103.05472	2.5
105.07009	3.7
107.04948	1.7
107.08552	3.2
109.02877	5.3
109.06471	1.5
113.67564	1.5
117.03365	25.7
119.04919	8.5
119.08563	4.4
121.10095	1.5
127.03900	3.7
131.08586	1.7
133.10095	1.9
135.11674	4.2
137.02322	6.3
145.02831	63.9
147.04388	28.9
147.11668	2.7
149.05986	9.8
149.09592	2.2
151.07567	1.8
157.06488	2.4
159.07962	1.8
161.13214	4.6
176.07040	4.9
177.05446	100.0
178.05806	3.8
185.05864	1.6
189.12737	4.2
195.06494	3.4
196.05215	2.9
201.05499	1.8
207.13881	2.2
213.05409	4.4
214.06107	2.1
217.02977	1.5
217.06598	1.5
217.08566	3.3
223.54341	1.8
228.07855	2.3
229.03207	4.5
233.08005	3.8
243.06360	1.7
257.02536	1.8
261.07550	3.8
262.08517	2.5
273.07471	2.0
276.09885	6.8
277.08487	1.8
279.06802	4.6
281.66391	1.8
288.09912	8.4
289.05157	3.8
294.07520	2.5
295.09549	4.2
307.06247	6.9
321.09515	6.8
322.08630	15.7
339.08871	32.4
340.12064	3.0
340.15439	3.3
340.22485	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	339.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
56.96558	4.1
63.07578	1.1
67.05494	3.7
69.03426	4.8
69.07078	1.5
69.77881	2.5
74.82481	1.1
79.05492	5.1
81.03406	6.8
81.07046	7.8
84.96027	1.7
85.02887	1.8
89.03896	5.5
91.05501	3.2
93.07035	2.9
94.06584	4.3
95.74173	1.3
96.08123	4.4
97.02901	1.6
98.97554	5.9
107.04948	1.4
108.08095	2.5
109.02871	3.0
110.06048	8.4
110.97611	1.2
113.51791	1.1
115.03189	1.0
116.98644	1.8
117.03368	13.7
119.04911	1.8
122.06018	24.2
123.04395	1.6
123.06802	3.8
124.07568	19.5
124.08413	1.4
126.05516	1.4
128.98784	1.1
134.05995	17.2
135.04440	3.6
136.07559	88.5
140.07082	5.7
141.73781	1.1
145.01688	1.5
145.02832	30.9
146.99600	1.5
147.04401	4.7
149.05994	6.1
150.05470	8.2
152.07047	96.8
153.07434	2.5
154.87486	1.0
163.03867	11.3
164.07040	100.0
165.07350	2.9
166.08612	1.6
168.06525	3.0
170.08095	14.6
170.09451	1.4
172.11270	1.5
177.05446	53.0
178.05818	2.1
178.08609	1.5
179.82356	1.0
182.08102	33.4
182.09631	2.2
183.03337	1.7
183.08356	1.2
193.01735	2.2
195.06505	1.5
200.10704	2.0
207.03282	2.6
211.02708	2.0
214.12224	1.9
217.09631	1.1
225.04192	1.6
235.02663	1.2
237.02802	2.8
242.11703	2.3
255.01733	4.5
260.12814	6.6
280.28656	1.2
285.12241	2.5
301.99356	1.0
303.13345	54.3
304.13602	3.1
321.09912	7.3
321.14127	7.4
339.07205	2.0
357.08487	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	339.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05447	0.7
55.05500	1.9
56.25769	1.0
57.07060	2.3
58.06593	13.9
62.57172	0.8
62.98248	13.3
65.59486	0.8
67.05493	2.2
69.07055	2.6
70.06586	1.3
70.55367	0.8
71.08599	1.0
77.96958	1.2
79.05484	3.4
81.03373	1.1
81.07033	5.0
83.08617	1.5
89.06023	1.7
91.05460	1.7
93.07024	3.6
93.55801	0.9
95.04961	1.9
95.08597	3.1
96.35170	0.8
97.06482	0.9
98.23466	3.3
98.97581	3.3
103.98499	2.1
105.07015	1.6
107.08557	1.4
109.06487	1.9
109.10112	1.7
116.98566	1.2
116.99284	1.3
119.08533	1.1
121.10105	2.0
131.08644	0.9
145.02322	1.4
145.06512	1.0
145.10094	1.2
149.02342	3.2
173.78709	0.8
193.04897	5.5
224.65634	2.7
225.16078	0.9
256.26498	1.3
269.11157	6.6
274.97491	3.8
289.17944	1.0
292.98587	1.2
294.11960	2.5
317.19498	3.4
321.17880	9.7
322.18497	1.1
324.12317	1.6
335.20569	3.5
339.19025	100.0
339.27609	11.5
339.77689	2.1
340.11749	1.6
340.15536	1.4
340.19223	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	339.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39560	0.9
53.03938	2.2
55.05502	4.1
56.05027	1.8
57.03418	1.1
57.07072	1.8
58.06588	3.8
61.02907	1.6
67.05496	17.7
69.03415	7.5
69.07068	1.5
70.06595	1.1
71.04980	54.4
72.08129	0.9
79.05479	3.5
81.03402	9.5
81.07041	40.8
83.08627	1.1
85.02895	8.3
85.06531	8.7
89.03902	9.0
90.71482	1.0
91.05469	3.8
93.07031	1.4
95.04945	1.7
95.08616	5.0
95.09132	1.1
96.08932	0.9
97.02876	3.2
97.10149	1.2
98.09663	2.2
99.04433	1.6
105.07001	2.3
106.95303	0.8
107.04955	1.4
108.58778	0.9
109.02870	3.9
109.10130	1.1
110.06023	2.8
117.03358	24.6
119.04912	3.9
119.08545	1.3
122.06031	1.5
123.08022	1.8
123.11689	12.1
127.03891	3.2
128.06136	1.1
131.08577	1.3
133.06531	1.0
134.03598	1.4
135.04399	7.8
136.07512	4.5
141.12718	61.4
142.12994	1.4
143.08517	1.1
145.02826	52.6
145.10120	2.1
146.03156	1.8
147.04388	12.7
147.11758	1.6
149.05972	7.3
159.13777	20.6
163.03880	36.5
164.04228	1.8
164.07040	4.8
172.53401	0.8
175.03825	0.9
177.05444	85.1
177.14832	15.6
178.05898	2.1
178.08606	1.9
181.10085	1.1
182.08121	3.6
195.06476	2.2
207.11652	1.0
321.09668	7.6
322.21390	1.4
339.07367	1.5
339.11404	2.6
340.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55888	3.3
53.03930	5.0
55.01866	30.2
55.05504	36.6
57.03428	26.4
57.07071	7.8
58.06590	52.6
64.76001	3.7
64.85918	3.6
65.03922	5.4
67.05493	76.2
69.03421	6.5
69.07047	23.2
70.06605	5.3
79.05483	70.8
81.03407	11.9
81.07045	100.0
83.04963	30.7
83.08601	15.4
87.39617	3.6
91.05468	66.5
91.99060	3.7
93.07037	57.8
95.04397	6.9
95.04952	69.0
95.08581	38.7
96.05706	3.5
97.02853	6.3
97.06535	10.8
97.10149	11.0
98.07277	4.4
98.97561	13.1
104.35031	3.9
104.39455	4.0
105.07009	52.4
107.04942	85.7
107.08568	30.7
108.05731	8.9
109.06508	60.6
109.10154	23.5
111.04427	6.5
111.08078	8.9
112.05201	12.6
113.06000	7.8
116.98623	8.9
117.07011	31.3
119.04951	5.3
119.08571	36.3
121.06474	20.1
121.10139	12.0
122.07295	18.2
123.04382	8.0
123.08056	13.3
123.11651	4.4
125.09612	7.7
129.06998	13.6
129.80980	4.6
131.08559	25.3
133.06525	21.5
133.10100	25.2
134.99637	5.6
135.08028	15.5
135.11641	12.1
137.09599	26.0
143.08516	8.3
145.06482	11.4
145.10114	24.1
147.08058	28.2
147.11633	8.2
149.02330	10.3
149.09651	8.9
149.13225	5.7
151.07526	6.0
151.11096	6.3
155.08540	3.9
157.06377	3.6
157.10161	8.7
159.07953	7.0
159.11656	10.4
161.09566	17.6
163.11174	13.1
165.09070	9.2
171.11667	6.6
173.13225	9.1
175.11151	4.6
180.97748	4.7
186.65474	3.4
187.11230	4.4
187.14792	7.5
193.04924	16.0
197.13197	7.6
205.15897	12.0
215.14264	12.6
217.16020	4.1
233.15305	61.3
237.70174	3.5
263.06964	5.2
265.17932	27.3
273.18484	7.3
274.97382	14.3
277.21991	3.9
279.09790	3.6
280.09528	4.0
281.10315	3.8
283.16757	5.9
290.18539	5.4
292.98447	10.7
294.11688	12.5
304.20239	4.4
305.21103	8.3
309.09586	4.5
324.12381	6.2
339.10629	5.6
339.14294	13.8
339.18497	6.1
339.27838	31.3
339.77698	12.4
340.11652	8.4
340.15146	21.7
340.22556	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	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01867	6.4
55.05502	10.6
57.03177	0.8
57.03429	10.9
57.07052	2.1
65.03915	2.1
67.05497	32.6
67.05860	1.6
69.03410	2.1
69.07056	24.4
69.81847	1.4
69.82173	1.2
71.04986	4.8
75.04455	2.1
77.03902	1.7
79.05480	32.7
79.05939	1.7
81.03403	2.4
81.07047	37.5
81.17146	0.7
83.04975	8.6
83.08601	3.7
85.06528	3.0
91.05466	37.6
92.05783	0.8
93.07030	41.8
95.04953	10.5
95.08009	1.4
95.08591	21.4
97.06526	7.9
97.10164	1.0
98.70211	0.6
99.04412	0.9
99.08061	1.5
103.05453	0.9
105.04521	0.8
105.07012	37.0
107.04939	12.8
107.08575	26.6
108.08900	0.9
109.06506	10.3
109.10133	8.3
111.04415	1.3
111.08070	2.3
113.05993	1.0
115.05447	1.6
116.06173	1.3
117.06995	17.5
119.07728	1.5
119.08559	25.2
119.75118	0.7
121.06493	12.9
121.10121	25.7
123.04427	1.4
123.08054	10.0
123.11705	1.9
125.05975	1.3
125.09630	0.8
128.06209	2.1
129.06978	7.5
130.07759	3.1
131.08546	40.4
132.08879	1.0
133.06458	3.5
133.10103	22.2
134.10446	0.7
135.08028	9.8
135.11681	13.6
137.09596	5.8
139.07507	0.9
141.06990	2.5
142.07747	0.7
143.08543	7.7
145.02780	1.3
145.06462	4.7
145.10106	46.0
146.10432	2.1
147.08026	7.7
147.11664	7.0
149.05974	1.6
149.09592	38.5
149.13228	3.0
150.09932	1.1
151.11137	11.8
153.09120	1.0
154.07704	1.0
155.08488	6.3
157.10086	4.3
158.07228	1.0
159.01408	0.7
159.08028	2.2
159.11655	15.6
160.12128	0.8
161.09593	7.6
161.13211	4.8
163.11154	42.6
164.11540	1.5
165.09114	2.0
168.77328	0.8
168.82690	0.8
169.10080	7.2
171.11659	3.2
173.09584	12.6
173.13217	3.6
175.11218	3.9
175.14801	1.9
177.05482	1.4
177.09068	1.0
177.12688	6.4
177.16364	2.9
179.10628	14.2
182.10907	0.8
183.11661	3.0
185.13229	5.0
187.11172	10.0
187.14771	13.6
188.15164	0.9
189.12720	2.6
191.10622	10.6
191.17889	1.6
197.11743	1.8
201.12741	1.7
201.16354	14.1
203.14291	2.5
205.12204	3.0
205.15852	2.1
207.13741	1.0
209.11743	3.4
211.14789	8.1
219.17390	27.9
223.13318	1.3
229.13522	1.4
229.15828	27.7
247.16898	58.3
248.17215	2.4
253.14253	0.9
265.17938	49.3
266.18213	1.7
305.68985	0.7
321.20541	51.5
322.20895	3.9
339.21597	100.0
340.22000	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	339.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29518	1.5
53.03946	3.8
55.01865	20.9
55.05502	74.4
57.03429	21.9
57.07071	3.2
58.06591	19.0
65.03942	2.2
67.05492	42.8
69.03422	5.4
69.07057	53.7
71.04971	8.5
71.45911	1.4
74.44305	1.9
77.03924	2.5
79.05479	59.7
81.03397	9.4
81.06557	2.2
81.07043	53.4
83.04968	17.0
83.08602	100.0
85.02901	6.9
85.06538	4.7
87.04469	2.0
89.03909	2.5
91.05468	59.7
93.06441	4.0
93.07030	79.0
95.04954	18.6
95.05534	2.0
95.08590	35.5
97.06496	10.5
97.10174	5.7
98.97589	2.3
99.04444	24.7
99.08092	3.3
100.73802	1.6
101.06030	1.9
105.04506	2.3
105.07018	28.9
107.04942	12.7
107.08577	83.9
108.08905	2.1
109.02864	2.2
109.06518	7.1
109.10127	20.7
111.04426	12.5
111.08048	29.5
115.05460	1.9
117.03355	11.8
117.06992	38.7
117.07781	2.0
119.08569	23.4
120.08893	1.4
121.06505	6.5
121.10119	25.4
123.08052	4.9
123.11683	15.1
125.06001	4.3
125.09617	22.1
129.07005	3.9
131.08545	26.9
131.36877	1.6
132.08949	1.5
133.06477	2.1
133.10100	17.2
135.08037	23.6
135.11646	8.6
137.05898	2.1
137.09579	17.8
137.13284	4.7
139.11147	11.1
141.06915	2.4
143.06987	2.8
143.08566	2.5
145.02817	25.0
145.06496	3.1
145.10101	17.5
147.08022	2.1
147.11655	8.1
149.05965	3.2
149.09598	41.9
149.13216	1.9
151.11186	2.7
153.09058	13.8
157.10068	2.0
159.07986	1.9
159.11606	8.7
161.09695	3.2
161.13254	3.5
163.07491	3.7
163.11163	9.7
165.09088	5.4
165.12740	2.1
167.10753	5.0
169.10091	3.8
173.09569	2.6
173.13249	5.8
175.11217	2.1
175.14825	4.7
177.05435	43.5
177.08998	7.7
177.16386	2.9
178.05656	1.9
179.10741	2.5
181.08534	3.2
185.13345	3.1
187.14803	3.0
191.10750	2.3
191.17999	2.8
193.12331	2.1
195.10123	3.9
199.14816	1.8
201.16347	31.2
211.14737	2.6
219.08148	2.5
219.17404	60.3
220.17802	3.0
222.18614	1.6
229.15878	8.4
237.71202	1.8
245.75516	1.6
247.16905	17.1
250.08618	1.7
262.08618	2.9
265.18060	5.7
274.97571	2.8
277.10962	5.4
279.10196	3.9
281.10162	2.7
294.11026	3.8
303.23166	5.7
308.12964	2.5
309.13501	3.4
321.09842	2.9
321.20593	9.5
321.24039	3.1
323.12689	2.7
339.10587	3.1
339.14224	5.8
339.21536	35.3
340.11649	3.9
340.15381	9.2
340.18668	2.0
340.22318	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01869	12.2
55.05504	30.4
57.03429	18.7
58.06590	10.3
59.04989	2.6
65.03926	1.6
67.05501	40.3
69.03416	8.2
69.07063	50.7
69.71645	4.9
71.04970	7.7
79.05485	48.9
81.03414	10.0
81.07049	100.0
82.07388	2.2
83.04976	8.4
83.08617	15.7
84.08994	1.6
85.02876	2.8
85.06528	2.9
87.04443	2.0
89.03853	2.1
91.05471	37.1
93.07034	52.1
95.04961	15.9
95.08595	50.9
96.08896	2.0
97.02875	5.2
97.06500	9.8
97.10152	2.6
98.97588	2.8
99.04469	3.6
99.08098	4.2
101.05967	1.5
105.07024	18.1
107.04945	13.3
107.08582	19.9
109.06515	25.9
109.10138	22.9
111.08071	6.1
112.30667	1.6
115.03896	1.8
117.03380	4.3
117.07008	11.3
119.08568	25.8
121.06461	4.2
121.10146	24.6
123.04426	1.9
123.08080	11.6
123.11687	8.5
129.06990	3.1
131.08562	18.8
133.06454	2.6
133.10115	11.8
135.08054	14.5
135.11659	6.1
137.09592	21.6
137.13228	2.5
139.11182	7.0
143.08597	2.1
145.02815	13.3
145.06470	3.0
145.10080	8.9
147.07985	2.5
147.11676	4.6
149.05981	3.2
149.09593	24.8
149.13200	2.9
151.11189	3.6
153.09085	3.8
153.12689	1.9
155.10733	2.1
159.11664	7.3
161.09572	3.2
161.13217	2.0
163.07600	2.8
163.11154	10.7
165.09129	6.5
167.10663	4.0
169.10149	2.0
173.13261	2.4
175.11279	3.3
175.14864	1.6
177.05438	22.5
177.08997	3.6
183.10114	1.6
185.11687	2.9
185.13217	3.0
187.11162	3.3
187.14848	2.7
191.10767	2.6
201.16336	8.0
211.14853	3.0
219.17357	5.7
220.91214	1.7
229.15836	8.6
247.16881	21.2
265.08386	1.9
265.17972	6.9
274.97379	2.7
281.10239	3.0
303.23178	3.1
309.13397	1.7
321.20544	6.3
321.23969	2.3
339.10611	4.2
339.14346	5.8
339.21591	38.8
340.11740	4.1
340.15338	7.0
340.19064	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	340.1176
Annotation	Aristoyagonine
Peak:m/z	Relative Intensity
50.58165	1.3
58.06592	18.7
65.27707	1.1
69.86473	1.5
69.86801	2.8
79.05476	1.7
81.07050	2.2
91.05466	1.5
91.63109	1.2
93.07049	1.6
110.10463	1.1
131.08542	1.3
141.77751	1.2
145.10094	1.5
160.50702	1.2
165.06992	2.8
165.13228	1.1
166.07832	1.6
167.08528	2.3
175.62636	1.2
178.07890	2.0
179.08527	3.4
181.06493	3.3
183.08005	1.3
191.08444	1.2
193.06541	1.8
194.07198	6.1
195.08047	4.1
196.08667	1.7
205.06516	1.8
206.07300	2.5
207.08060	5.5
209.05888	2.7
209.09573	2.4
211.07558	2.8
219.08073	1.5
220.05290	1.8
221.05943	6.5
222.06726	5.1
222.09038	2.2
223.07471	9.4
224.08296	4.9
226.08562	1.9
227.10579	1.9
234.06685	1.3
234.08992	2.2
235.07509	6.7
235.09886	3.5
236.06685	2.5
236.08272	11.5
237.05440	3.2
237.09070	1.9
238.08508	7.1
239.06982	4.9
240.07764	4.6
249.07738	1.7
250.08499	3.3
251.06987	7.4
251.09341	3.9
252.07878	16.6
252.10243	2.8
253.08603	8.7
253.10786	1.5
254.08884	1.5
255.10135	5.1
263.06970	2.1
263.09521	1.8
264.06705	5.1
264.10132	1.8
265.04825	1.6
265.07776	4.4
265.08243	4.4
266.08206	9.0
266.11664	2.0
267.06509	3.9
267.10132	15.4
268.07281	5.2
268.09848	3.6
269.07944	2.8
277.08389	1.3
278.08185	2.0
279.08972	5.1
280.07141	6.4
280.09738	32.0
281.07178	3.6
281.10385	46.5
282.07690	9.1
282.10760	2.3
283.09570	40.1
284.09988	2.4
294.07813	2.5
294.11240	6.3
295.09628	18.7
296.09061	6.2
297.09912	5.2
309.09958	77.8
309.13535	12.1
310.07022	10.8
310.10428	5.2
311.11465	3.8
312.12234	41.2
313.12662	2.7
324.08493	2.2
325.09402	28.6
326.09631	2.2
339.27859	17.3
340.11758	100.0
340.15289	7.4
340.18771	2.5
340.22345	3.0
340.28204	11.6
341.12030	6.1
346.69376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01866	6.4
55.17542	1.9
57.03425	5.2
58.06594	3.4
61.02914	5.9
69.03424	47.5
70.03756	2.8
71.04983	5.9
73.02914	5.6
73.67107	2.1
79.05502	2.2
81.03414	23.3
83.01299	2.8
85.02892	100.0
87.00819	47.5
91.05460	4.0
97.02877	38.1
99.04426	15.4
105.01850	81.7
108.04482	2.2
108.72755	2.3
109.02856	23.3
119.04939	4.4
119.48592	2.3
120.05293	5.5
127.03899	74.6
128.04256	3.4
129.01804	3.1
129.53401	2.3
137.05963	12.2
137.06898	2.5
145.02852	4.4
145.04936	30.2
146.03210	8.0
147.04391	20.1
148.04726	23.8
150.06252	2.4
159.02875	7.7
166.04950	5.0
177.05481	9.3
178.05815	14.5
178.07068	2.2
178.08554	3.8
179.07108	2.4
187.07513	3.5
189.03926	3.5
190.38071	2.3
192.08478	2.9
193.06087	2.9
194.06404	3.9
219.07834	2.5
220.08067	3.4
221.05586	3.5
222.06027	7.0
223.06949	4.8
224.07527	8.8
225.87354	2.5
231.04939	23.5
249.05984	6.4
258.09378	2.7
261.70294	2.3
271.09561	2.9
282.07455	2.3
291.10251	4.8
295.09735	2.3
310.06757	2.4
323.12762	3.3
325.09363	3.2
340.12033	59.8
340.22562	28.9
341.12558	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	340.9879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.6
67.63037	0.5
69.45379	2.0
77.76777	0.4
98.97572	59.3
99.97859	0.6
114.95619	0.6
116.98608	29.0
132.96593	1.1
134.99632	7.3
156.96667	2.1
159.50681	0.6
174.97638	12.9
178.15544	0.5
190.95639	2.0
192.98701	9.2
193.98811	0.5
198.97490	4.6
208.96683	1.1
214.95602	6.9
216.98688	44.6
217.98866	1.9
219.01979	0.8
224.32149	0.5
232.96663	14.7
233.96748	1.3
234.99731	61.7
235.99910	3.2
238.95705	1.4
240.98572	1.0
245.29247	0.5
250.97734	6.5
251.97858	0.9
252.98177	0.5
253.00827	1.4
256.96655	17.0
257.96906	1.6
258.99710	10.6
259.99945	0.6
263.02716	0.6
274.97693	35.3
275.97968	3.4
277.00766	12.5
278.00980	1.3
280.96490	2.8
287.52557	0.5
289.96442	0.5
292.98740	5.8
293.98688	0.6
298.97711	68.8
299.97827	6.9
316.98779	100.0
317.49283	0.5
317.98895	11.8
334.99881	2.8
336.00211	0.8
340.00482	1.3
340.98752	19.2
341.98849	2.5
358.99820	44.4
359.99945	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0863
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03944	0.3
55.01848	0.3
55.83583	0.2
56.56176	0.2
57.03426	0.3
58.06592	1.4
59.36969	0.2
61.02921	0.5
63.89668	0.2
65.43211	0.2
69.03420	1.4
69.07060	0.3
70.06583	0.3
70.59699	0.4
70.60021	0.2
73.02885	0.3
73.04727	0.5
77.03920	0.3
79.64323	0.2
81.03385	0.6
81.07037	0.2
84.04484	0.4
84.08136	1.4
85.02895	2.6
87.04440	0.3
88.21392	0.2
89.03881	0.7
91.05774	1.1
95.04938	0.3
97.02888	1.2
98.23354	0.2
103.56909	0.2
105.03346	0.5
107.04958	0.6
109.02851	0.6
117.03329	0.6
117.30772	0.3
123.04417	12.3
124.04744	0.3
127.03890	0.5
133.02838	11.7
134.03203	0.3
135.04399	2.2
137.05931	1.5
145.02859	0.3
145.04897	0.3
147.04411	0.3
149.05940	0.3
151.03908	3.7
172.35374	0.2
177.05472	0.2
178.08601	0.4
179.03371	100.0
180.03711	3.0
180.06508	0.3
187.07541	0.3
247.07474	0.3
248.08331	0.3
249.12361	0.5
264.65536	0.3
277.15546	0.5
279.09967	0.3
291.10049	0.3
294.12515	0.4
295.09592	0.3
341.08429	0.9
341.12161	0.5
342.09656	0.4
342.13321	0.5
342.16916	1.5
342.20468	0.4
359.02698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.1
55.05505	19.2
57.03431	12.8
57.07068	18.5
58.06586	16.0
61.02913	10.9
64.54516	8.4
66.64201	6.1
67.05490	28.0
69.03425	16.7
69.07062	15.6
69.37012	22.1
69.37398	11.6
73.02911	72.7
79.05496	20.3
81.03399	9.1
81.07046	33.3
83.04960	19.1
83.08614	26.3
85.02895	15.4
85.06528	39.6
87.04453	8.1
91.05457	17.1
93.07033	61.9
95.04955	56.5
95.08598	19.9
97.02876	6.6
97.06541	10.1
97.72959	6.7
105.07018	23.8
107.08591	51.2
109.06509	22.7
109.10179	34.0
111.08079	11.5
112.17236	6.5
113.05979	13.6
115.03929	13.1
119.08596	22.3
121.10126	100.0
123.08022	13.3
125.06042	13.8
128.06168	7.5
133.04976	10.9
133.10130	17.9
135.08017	9.2
135.11722	11.5
137.05956	20.2
139.11180	10.3
143.08549	7.8
145.10086	9.6
147.11632	9.7
149.09584	8.6
151.11200	10.2
153.09096	8.9
155.07030	7.0
157.10083	13.1
161.09584	7.7
163.14799	19.2
165.05362	6.8
167.14348	11.2
169.12204	13.3
173.08043	12.0
173.13211	8.8
179.31241	6.5
181.12270	22.1
187.07677	7.2
191.14345	21.4
195.10120	18.6
209.15382	67.4
221.84158	7.6
233.15387	14.0
241.15953	8.8
245.15291	6.8
263.16406	9.9
276.94028	6.9
287.16248	8.6
305.17429	13.8
323.18414	7.9
341.19452	13.9
341.23123	11.9
342.24213	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	341.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01852	4.6
55.05506	49.0
58.06592	100.0
59.06932	3.4
65.03919	2.8
67.05502	19.4
69.03416	10.1
69.07056	13.0
69.78277	5.3
69.78613	2.8
71.04978	6.5
78.95528	2.9
79.05486	23.6
81.03390	7.0
81.07044	19.3
83.04977	9.1
83.06643	2.4
83.08604	45.2
85.06521	3.5
85.10173	2.8
91.05444	14.9
93.07022	15.7
95.04959	43.4
95.08598	16.2
97.06513	18.7
97.10159	29.1
99.08104	2.6
99.50869	2.3
105.07011	32.1
107.04925	5.3
107.08571	29.6
108.62642	2.3
109.06498	6.9
109.10153	7.3
111.08061	5.7
113.09627	7.2
115.05434	4.6
117.07011	16.0
119.04811	2.9
119.08538	15.9
121.06503	6.7
121.10143	6.5
123.08090	16.9
125.09598	39.5
128.06227	3.9
129.07008	13.2
130.07771	5.5
131.08565	12.5
133.06458	4.0
133.10133	5.7
135.08026	10.4
137.05925	2.9
137.09579	4.5
139.11139	8.4
141.07002	3.1
142.07787	7.2
143.08568	13.6
144.09303	5.7
145.06458	6.3
145.10112	46.1
147.08043	7.9
147.11627	3.7
149.02335	2.8
153.06845	2.6
153.09088	8.1
153.12744	4.1
155.08569	3.3
155.10641	7.3
156.09196	3.4
157.10124	16.1
157.12184	2.5
158.07237	6.6
159.07974	5.9
159.11697	14.8
163.11142	5.9
165.09058	3.7
166.07629	2.6
167.08493	3.2
169.10063	13.7
171.08057	6.0
171.11688	6.9
172.08862	4.2
173.09602	22.4
175.11211	2.6
177.12830	2.5
179.08521	4.3
181.10158	8.5
181.12215	6.8
182.07143	3.7
185.13242	3.5
187.11140	10.6
189.11192	11.8
189.12669	3.3
191.08571	6.6
193.12173	3.0
195.11716	4.0
196.20964	2.4
197.09712	3.9
197.11548	3.5
197.13211	3.3
199.11084	2.8
203.12776	18.1
205.06487	2.9
207.07997	5.6
208.08859	3.3
209.09650	3.3
211.14775	3.0
215.10678	2.9
219.08057	2.9
220.08846	3.1
221.15276	2.4
222.06790	4.6
233.05969	3.3
235.07434	4.6
236.08229	4.4
237.09001	8.2
237.16351	2.6
239.14297	6.7
251.10634	7.2
255.17334	6.9
265.08548	28.4
265.15881	2.9
266.09106	2.6
267.06464	3.0
273.18365	5.8
279.10016	11.8
280.10867	4.4
281.07993	3.1
281.18729	2.6
282.08749	11.1
283.16940	3.6
291.19443	19.6
294.12500	27.5
295.09528	10.6
296.10379	3.7
297.11224	27.0
298.10767	5.0
299.12747	3.6
309.20822	2.8
310.11813	16.4
311.12994	5.3
312.08493	8.2
313.21594	2.9
323.22305	5.0
325.14359	15.0
326.10068	7.9
327.11166	3.7
341.11975	3.6
341.15915	6.5
341.21164	27.6
341.28516	25.5
342.13242	24.0
342.16965	53.4
342.24255	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	342.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78910	0.2
56.96553	1.3
58.06573	1.1
61.02901	0.3
67.92313	0.2
69.03414	0.9
69.37317	1.2
70.06580	0.8
72.08147	0.5
73.37745	0.2
81.03386	0.4
84.08132	0.3
85.02901	2.0
86.09690	0.3
91.05460	5.7
97.02841	0.6
98.95658	0.2
98.97565	4.2
99.04443	0.3
102.96860	0.3
107.04926	0.5
109.06496	0.5
110.97540	0.3
116.98598	2.8
119.04934	3.7
121.06474	1.1
122.80797	0.3
128.98575	0.4
129.10199	0.3
130.93280	1.0
134.99637	1.6
135.04398	1.9
137.05957	27.4
138.06282	0.7
142.01646	0.3
145.04909	0.4
146.99623	0.3
151.03847	0.6
151.07545	0.3
152.06987	0.3
153.00627	0.4
161.28891	0.3
162.05478	3.3
163.03902	0.9
163.06110	0.3
172.94283	1.6
178.08536	0.3
180.06525	100.0
181.06903	2.3
190.95366	1.5
232.96478	1.2
244.96513	0.3
246.91043	0.3
250.97542	0.5
256.96472	0.6
265.07516	0.3
274.97461	3.2
275.97867	0.3
279.10022	0.9
288.92065	0.4
292.98538	1.6
293.98929	0.3
294.12448	1.5
295.09521	0.6
300.99689	0.3
304.44788	0.3
310.11945	0.8
317.98901	0.4
325.14224	0.8
342.11676	6.9
342.15753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72107	0.3
56.96507	0.7
58.06544	0.8
61.19014	0.3
70.06528	0.4
70.26232	0.4
70.26550	0.4
76.70753	0.3
84.08067	0.4
85.02832	1.3
91.05453	5.5
97.02834	0.6
98.97503	1.3
105.03246	0.3
110.17723	0.3
110.97495	0.3
111.04360	0.4
116.98537	0.4
119.04928	3.7
128.98650	0.3
135.04344	1.3
137.05954	26.0
138.06267	0.8
145.04903	0.5
151.03851	1.2
152.06985	0.4
162.05440	3.3
163.03819	0.9
180.06509	100.0
180.97768	0.5
181.05397	0.4
181.06862	2.5
186.04106	0.3
198.04309	0.3
198.98834	0.3
222.07338	0.8
254.08281	0.5
278.11514	0.3
279.10089	0.3
294.12662	0.8
310.12085	0.5
322.08765	0.3
325.14462	0.5
342.11740	21.2
342.20786	1.6
343.06628	1.9
343.11917	0.9
362.86185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1696
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06594	83.5
62.70997	0.6
68.18977	0.6
69.22892	3.0
83.34365	0.6
91.49249	0.7
95.29034	0.6
127.65834	0.7
160.18628	0.7
165.06999	0.7
166.07716	1.3
167.08459	0.8
172.66066	0.6
178.07747	1.3
179.07088	0.6
179.08591	2.4
181.06483	0.7
181.10150	1.5
189.06932	0.9
190.07750	2.5
191.08516	10.0
193.06480	1.1
194.07236	3.1
195.07892	0.8
205.06427	3.6
206.07243	1.1
207.07973	7.6
208.08705	3.2
209.09612	4.2
211.07451	0.9
218.07233	1.1
219.08031	7.6
220.08774	4.0
221.05942	2.7
221.09436	0.8
222.06699	9.4
223.07370	1.4
233.05986	2.8
235.07475	5.5
236.08270	5.4
237.09059	12.6
239.06812	1.1
247.07533	2.1
248.08228	1.4
249.05467	1.3
249.09105	0.8
250.06248	1.3
251.06834	1.0
251.10638	14.9
252.07764	0.7
252.10851	0.8
253.08571	2.4
255.10097	1.0
263.06958	1.1
264.07761	1.9
265.08557	36.0
266.09030	2.3
267.06448	2.9
267.10013	1.8
269.11560	0.7
270.16412	0.8
279.10126	19.5
280.10876	5.5
281.08139	2.5
282.08817	13.6
284.10388	1.9
296.10321	3.6
297.11172	45.4
298.11581	2.6
299.12720	6.1
311.12756	9.2
312.12903	0.8
342.16946	100.0
342.24054	7.3
343.17282	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	342.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	0.9
67.51044	0.9
85.51757	0.7
94.70937	0.8
112.45455	0.7
129.12729	0.8
133.16420	0.7
178.07697	1.0
191.08492	3.4
196.68585	0.8
203.08525	0.8
207.08002	3.5
208.08846	2.5
209.09468	0.9
218.07335	1.5
219.07976	4.9
220.08794	6.8
221.09547	3.7
223.11237	3.7
224.08319	1.1
233.09602	3.4
234.06755	0.9
235.07480	5.2
236.08269	13.8
237.08887	2.2
239.10716	3.0
247.07480	1.9
248.08305	1.9
249.09009	3.8
250.09862	2.4
251.10625	15.8
252.07858	1.6
263.06958	0.9
263.10547	2.2
264.07751	2.0
266.09360	0.8
267.10083	5.6
277.08582	2.2
278.09296	1.5
279.10117	38.5
280.10638	1.8
282.84406	0.8
293.11633	1.5
294.12451	100.0
295.09680	33.1
295.12839	6.2
296.10132	2.4
308.23383	0.8
310.11926	49.7
311.12259	3.2
325.14291	45.6
326.14554	2.9
342.16873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01244	0.8
55.55227	0.8
57.26545	0.8
58.06595	13.0
59.09681	0.7
66.14294	0.7
69.14568	4.9
69.14941	1.3
91.37071	0.8
98.23455	1.4
101.09148	0.9
135.78748	0.8
152.57913	1.0
190.07681	0.9
191.08531	5.8
203.08531	1.1
207.08081	4.2
208.08788	3.8
209.09462	1.2
219.08012	5.5
220.08771	8.6
221.09578	3.4
222.06746	1.9
223.07590	1.2
223.11154	4.3
224.08345	2.3
233.09607	3.4
234.06538	1.6
235.07545	6.4
236.08295	15.4
237.09012	4.5
239.10579	4.4
239.65620	0.8
247.07607	1.8
248.08322	2.4
249.09200	4.5
250.09796	2.4
251.10631	18.4
252.08018	1.9
252.10815	1.1
263.06909	1.4
263.10648	2.6
264.07764	2.3
264.11386	0.9
265.08484	5.3
266.08902	1.2
267.10114	7.2
277.08554	2.2
278.09305	2.5
279.10117	44.9
280.07666	1.2
280.10745	3.5
281.08240	1.3
281.11432	1.1
282.08221	1.1
293.11707	1.1
294.12457	100.0
295.09668	33.0
295.12857	5.9
296.10107	3.9
297.11133	8.4
298.11005	2.5
310.11945	46.4
311.12387	2.9
312.08612	1.5
325.14301	49.2
326.10223	2.8
326.14645	2.9
327.10855	2.0
342.13211	8.7
342.17010	13.0
342.23669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1694
Annotation	Secocularidine
Peak:m/z	Relative Intensity
58.06591	100.0
59.06936	0.8
59.35219	0.6
112.59229	0.6
114.46857	0.8
135.98569	0.6
165.07047	1.7
166.07726	1.7
167.08653	0.8
173.72208	0.6
177.07001	0.6
179.08545	3.5
181.06473	1.1
181.10078	1.8
189.07039	1.6
190.07777	2.0
191.08531	10.0
193.06580	1.0
194.07214	2.3
202.07628	1.1
205.06400	3.9
207.08051	7.0
208.08824	2.3
209.09569	5.9
218.07294	0.8
219.07973	7.0
221.05911	1.9
222.06732	9.9
224.08331	1.0
233.05956	2.2
235.07390	3.7
236.08292	2.6
237.09074	13.4
239.07092	1.8
247.07553	2.3
250.06226	2.6
251.06895	1.1
253.08708	0.8
263.06952	1.4
264.07782	1.2
265.08545	40.8
266.09055	2.8
267.06503	2.6
269.11691	0.9
279.10123	1.6
282.08792	15.2
284.10452	1.2
297.11151	49.6
298.11533	2.8
299.12708	6.2
342.16937	93.4
343.17352	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	342.1697
Annotation	Norsecocularine
Peak:m/z	Relative Intensity
52.90379	0.8
58.06593	67.1
60.69086	0.8
71.04282	0.8
79.07471	1.1
106.54816	0.8
165.07043	1.7
167.08476	1.1
179.08521	2.8
189.06912	1.1
190.07724	1.7
191.08559	7.9
192.09006	0.9
193.06505	1.4
194.07219	3.1
195.08049	2.2
205.06459	4.2
206.07166	1.2
207.08052	6.6
208.08810	2.8
209.09532	5.8
210.06702	2.0
217.06535	1.2
219.07973	7.9
220.08691	1.1
221.05930	2.9
222.06682	9.6
223.07545	1.4
225.09071	4.3
229.07649	1.0
230.41637	0.9
233.05910	4.4
234.06773	1.0
235.07494	5.2
236.08278	5.2
237.09064	36.0
238.06200	1.6
238.09373	1.7
239.07056	2.0
239.10681	1.0
241.08676	1.0
247.07504	3.6
248.08299	2.0
249.05513	2.5
249.09229	2.9
249.12715	1.0
250.06268	2.2
251.06892	2.0
251.10693	3.7
253.08556	12.6
263.06946	2.9
264.07745	3.8
265.08569	83.0
266.05795	1.3
266.09003	4.3
267.06470	4.0
267.10040	3.0
269.11661	1.3
279.10083	6.1
280.10901	100.0
281.08102	44.0
281.11301	5.5
282.08759	15.0
284.10355	1.9
296.10382	60.2
297.11139	33.8
298.11606	1.5
299.12683	6.2
311.12732	99.6
312.13110	5.1
312.16092	1.0
342.16956	97.0
342.24173	10.1
343.17432	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	342.1696
Annotation	Secocularidine
Peak:m/z	Relative Intensity
56.05048	0.8
58.06594	89.3
58.86569	0.6
59.74787	0.5
62.16704	0.5
65.41376	0.6
66.00087	0.5
69.03427	1.2
69.37573	2.6
85.02901	6.6
97.02909	1.3
98.03271	0.6
98.06049	0.8
98.22695	1.0
104.80637	0.6
127.03931	2.0
145.04932	3.4
163.06006	1.7
165.07010	1.0
166.07791	1.5
167.08565	0.6
177.07066	0.8
178.07774	1.4
179.08571	2.3
181.06454	0.9
181.10143	1.9
189.06989	1.4
190.07756	1.8
191.08519	9.6
191.96762	0.6
193.06422	0.7
193.10123	1.2
194.07184	3.1
195.07935	0.7
205.06500	3.0
206.07169	0.8
207.08076	5.3
208.08817	2.4
209.09605	4.3
218.07156	0.9
219.07994	7.3
220.08731	0.9
221.05952	1.5
222.06732	10.1
223.07370	1.5
226.88551	0.6
233.05986	2.0
235.07442	4.4
236.08241	2.9
237.09070	11.9
238.09811	0.7
239.07037	2.4
247.07491	1.6
249.05544	1.0
250.06273	2.4
251.07019	1.2
251.10760	0.7
253.08807	0.8
255.10100	1.3
263.07126	1.0
264.07813	1.0
265.08557	38.4
266.09174	4.5
267.06552	3.9
267.09811	1.2
269.11789	0.8
279.10156	3.2
282.08838	14.5
282.11884	0.9
284.10284	2.1
297.11185	49.9
298.11526	4.3
299.12735	5.0
311.12692	0.9
327.14725	0.8
338.74420	0.8
342.17004	100.0
342.24112	70.9
343.17435	8.1
343.24472	3.9
346.55853	0.6
347.31885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15413	0.8
58.06592	13.1
69.17985	3.1
69.18400	2.5
87.72906	0.8
98.23468	1.6
110.75385	0.9
111.17404	0.9
113.06843	0.8
138.14020	0.9
189.06934	1.1
190.07680	1.0
191.08539	4.5
193.06563	0.9
196.85329	0.9
203.08607	1.7
207.08003	4.2
207.09853	1.2
208.08791	3.0
209.09682	1.2
218.07365	1.3
219.08046	5.9
220.08812	9.9
221.09552	2.7
222.06825	1.4
223.11160	4.8
224.08340	1.6
225.09035	1.2
233.05917	1.3
233.09576	4.1
235.07428	5.7
236.08296	15.3
236.10774	1.3
237.09045	5.2
239.10667	3.4
247.07443	2.6
248.08313	2.6
249.09070	2.7
250.09853	2.8
251.06845	1.3
251.07788	1.2
251.10638	21.8
252.07788	3.2
260.45517	1.0
261.09207	1.1
263.06955	1.7
263.10577	2.3
264.07846	2.7
265.08609	6.7
267.10147	8.8
277.08606	2.9
279.10104	42.0
280.07596	1.1
280.10562	4.2
281.08084	1.7
281.11462	1.4
282.08725	1.9
293.11600	1.2
294.12451	100.0
295.09653	38.8
295.12805	6.2
296.10135	5.1
297.11215	6.0
310.11932	51.4
311.12601	4.6
318.89844	1.0
325.14276	45.0
326.14743	2.6
342.13431	1.6
342.16934	9.6
342.23871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.8
57.03435	7.2
58.06337	1.7
58.06594	37.9
61.02913	2.7
62.54079	1.9
67.17960	1.9
69.03410	5.4
70.85001	2.7
71.04987	3.5
71.08601	4.5
73.06557	5.1
81.03433	2.1
81.07043	15.1
85.02892	16.5
85.06555	4.1
86.86734	2.2
91.05836	2.8
97.02863	5.7
99.08060	17.4
109.02893	1.8
109.06514	16.1
117.09117	100.0
127.03922	2.7
127.07535	46.0
137.05998	5.5
140.18709	1.8
145.04939	5.3
163.03905	3.6
163.07635	2.3
163.09628	22.0
180.03755	2.0
180.06535	22.9
180.08623	4.6
180.12254	3.3
181.04881	2.7
255.45636	2.2
263.97540	2.2
279.10190	3.3
294.12494	7.4
295.09616	2.5
297.11295	2.6
325.14432	3.3
342.09625	2.6
342.13449	11.8
342.16971	3.0
342.20532	22.3
342.24274	14.7
343.13452	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38074	2.0
57.03432	7.3
58.06591	18.0
61.02924	3.1
69.03420	4.3
71.05000	3.8
71.08624	6.1
77.03094	2.4
79.05489	3.7
80.33856	2.3
81.03416	2.1
81.07052	17.6
85.02892	19.4
85.06541	3.5
97.02885	6.6
99.08084	23.9
101.76479	2.0
103.66926	2.0
106.15914	2.0
109.06519	16.3
113.40987	2.2
117.09118	100.0
120.08701	2.0
127.03915	3.9
127.07540	49.1
130.34122	2.0
137.05937	2.8
139.43733	2.3
145.05005	3.4
147.39337	2.0
163.09639	21.7
172.75327	2.3
177.00800	2.3
180.03703	4.1
180.06529	6.0
180.08583	4.7
180.12251	2.4
193.31839	1.9
211.11606	2.4
294.12350	4.9
295.09604	3.1
342.09286	3.4
342.13196	4.8
342.16928	3.6
342.20480	6.9
342.24197	8.4
343.13651	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	342.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
55.05505	6.8
57.03438	3.5
57.07064	6.8
58.06595	100.0
67.05495	23.2
69.03410	2.2
69.07058	7.5
69.91350	1.6
71.04972	4.6
71.08620	6.2
79.05481	9.7
81.07046	21.7
83.04962	3.4
83.08612	2.8
85.06543	3.6
85.10180	2.8
91.05469	19.0
93.07029	13.1
95.04955	10.6
95.08589	10.6
97.06522	27.4
98.97618	1.7
105.07006	22.3
107.04962	2.3
107.08578	18.6
109.06510	6.9
109.10139	30.5
111.08052	5.7
113.05976	3.0
117.06976	1.7
119.08514	2.8
121.06494	2.1
121.10168	2.3
123.11688	3.5
131.08551	2.0
133.06448	2.8
133.10107	28.5
135.07980	2.0
145.10069	2.0
151.11165	15.2
159.11606	3.1
169.12169	2.1
179.08502	3.2
183.17361	2.0
190.07816	1.9
191.08495	9.1
194.07240	2.6
205.06406	3.2
207.07964	7.7
208.08870	2.7
209.09586	3.5
219.07994	7.9
220.08783	5.4
221.09659	2.4
222.06718	7.9
223.07530	2.3
223.11188	2.8
233.05989	4.1
233.09547	1.7
233.15382	2.3
235.07530	8.3
236.08337	9.6
237.09036	11.6
239.07056	2.0
239.10655	4.5
240.23186	68.5
247.07602	3.2
248.08257	2.8
250.06088	2.8
251.10667	13.8
252.07690	2.5
263.07126	2.2
264.07425	2.7
265.08615	33.4
266.09100	6.1
267.06555	5.3
267.10117	6.2
269.06796	3.2
269.11612	1.7
279.10126	27.4
279.13089	1.5
280.10742	8.2
281.07977	2.6
281.71121	1.7
282.09027	15.4
284.08905	8.2
289.17932	4.8
294.12466	60.6
295.09595	21.0
295.12848	5.3
296.10040	5.0
297.07776	1.7
297.11139	43.2
298.10721	19.1
299.12613	4.9
310.07086	4.3
310.11966	24.4
311.07880	4.8
311.12515	7.8
312.08609	31.0
313.09250	2.2
325.14267	27.3
326.10181	28.1
326.14233	2.8
327.11029	16.9
342.13235	95.3
342.17020	68.0
342.24207	21.9
342.28757	5.6
342.74405	3.8
342.81564	1.7
343.13449	8.8
343.17480	4.8
343.24847	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97034	1.9
58.06594	99.0
63.49412	1.6
67.05496	2.1
69.07067	1.7
71.43632	1.7
79.05479	3.3
83.08615	1.9
93.07045	2.0
95.08614	2.8
98.22658	1.8
105.07000	2.8
107.08588	2.8
125.09641	3.6
131.08636	2.1
152.79485	1.6
166.07797	3.8
179.08516	3.4
189.07039	2.0
189.11209	2.9
191.08542	11.2
194.07274	3.6
195.08110	2.6
205.06424	3.0
206.07310	2.0
207.08017	7.1
208.08794	4.2
209.09607	2.7
218.07370	3.0
219.08076	8.1
220.08765	5.0
221.09502	2.4
222.06728	6.4
223.06978	1.9
223.11121	3.6
233.05989	3.8
233.09465	2.5
234.06560	2.0
235.07527	6.1
236.08318	12.7
237.09096	13.3
239.10611	4.1
240.23114	10.1
240.69040	1.6
247.07510	3.9
249.09062	1.8
250.06142	2.3
251.06972	2.8
251.10689	12.1
263.06897	1.9
265.08582	32.6
266.09113	6.3
267.06570	5.3
267.10138	9.5
269.06769	4.5
279.10114	32.0
280.10770	8.4
281.08041	3.2
282.09018	16.0
283.13141	2.2
284.09055	8.5
294.07611	3.0
294.12457	67.5
295.09665	20.6
295.12808	3.9
296.10074	6.8
297.11166	50.3
298.10654	21.5
299.12708	3.9
310.06927	2.9
310.08264	2.5
310.11975	30.8
311.01047	1.9
311.07938	3.1
311.12543	11.5
312.08600	33.9
313.06726	1.8
325.14304	33.2
326.10211	29.9
326.14154	3.3
327.10968	15.7
342.13242	100.0
342.17026	89.7
342.24234	24.5
342.28781	7.6
342.74564	5.4
343.13379	7.3
343.17422	7.0
343.24924	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.6
55.05492	6.1
57.07076	7.5
58.06593	100.0
59.06936	2.0
62.06065	2.5
62.13192	1.4
66.92387	1.5
67.05506	10.4
69.07052	4.0
69.88211	2.4
69.88563	3.2
71.04971	1.5
71.08619	3.7
72.08158	2.2
79.05473	4.6
81.03409	2.6
81.07050	9.0
83.04961	3.4
83.08614	1.6
85.06522	2.0
91.05466	4.7
93.07025	6.3
95.04945	2.5
95.08592	6.8
98.22673	1.8
98.64346	1.5
105.07005	6.7
107.08598	8.4
109.10121	8.5
116.15620	1.6
119.08591	2.1
121.10135	3.1
125.09576	4.4
131.08511	1.7
133.10098	13.0
137.09624	1.9
149.09669	1.9
149.93585	1.6
151.11139	11.3
152.74048	1.4
157.10109	1.6
159.11673	1.9
163.11137	2.0
174.18512	4.2
174.50697	1.5
179.08499	3.1
183.13776	3.6
191.08539	10.8
194.07306	2.0
205.06384	3.2
207.08015	6.1
208.08656	3.8
209.09572	4.3
219.08026	8.3
222.06752	7.3
223.07637	1.8
224.11986	1.5
230.24794	4.2
233.05948	3.3
235.07462	4.7
236.08269	5.1
237.09074	14.0
239.07202	2.4
239.10350	1.9
247.07498	2.2
250.06194	1.8
251.06927	2.5
251.10620	6.3
263.06921	1.8
265.08548	37.1
266.09085	5.4
267.06479	3.3
275.19995	7.3
279.10040	11.8
282.08875	18.5
294.12427	25.7
295.09555	9.4
295.12708	3.3
296.10129	3.1
297.11176	47.3
298.11304	3.5
299.09247	1.6
299.12753	5.9
310.11923	12.7
311.12415	2.6
313.07034	4.0
325.14258	14.3
326.10095	2.7
332.48514	1.6
341.39697	2.1
342.13327	8.8
342.16946	99.3
342.23959	6.2
342.37247	87.8
343.11737	8.4
343.17194	8.1
343.24698	2.8
343.37253	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	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78114	2.2
51.87383	2.3
55.01867	3.0
55.05499	4.1
57.03425	2.7
57.07056	3.7
58.06592	100.0
62.73321	2.5
62.97298	2.1
67.05501	13.1
69.07037	8.2
69.69747	6.6
79.05495	11.5
81.07042	15.6
83.08627	3.7
91.05465	10.6
93.07014	9.7
95.04953	3.9
95.08569	8.9
95.09132	2.5
96.97544	2.4
98.09675	3.2
104.43404	2.2
105.07013	15.7
107.08570	8.0
109.10100	2.6
117.06989	3.5
119.08533	9.8
121.10072	3.6
125.09583	2.6
133.10065	6.4
135.11700	5.0
137.09622	2.7
145.10043	6.0
147.11642	3.3
154.01802	2.2
159.11723	3.8
163.11113	2.9
191.08559	11.3
197.13316	2.3
205.06464	4.9
207.08011	5.8
208.08711	3.3
209.09569	7.8
211.38741	2.2
219.08020	9.9
220.08572	3.6
222.06810	10.3
230.24744	6.3
233.09438	2.5
235.07640	3.9
236.08249	9.7
237.09055	14.2
247.07419	4.9
251.10635	8.3
251.94522	2.2
253.08496	2.4
264.07584	3.0
265.08578	34.0
266.09296	5.0
267.06381	5.4
267.10141	3.3
275.19986	8.2
279.10065	12.8
280.10706	5.4
281.08115	6.3
282.08902	14.8
283.09351	3.6
294.12469	33.7
295.09634	17.2
297.11139	53.9
298.10651	2.9
299.12656	4.5
308.03912	2.6
310.11966	15.9
311.12595	7.2
312.08514	4.2
313.06757	3.1
325.14355	22.1
326.10178	3.8
333.23611	2.7
342.13174	15.4
342.16931	82.5
342.23996	13.2
342.37302	13.0
342.74567	2.7
343.11453	6.5
343.17355	7.0
343.24893	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	342.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61157	1.2
52.80611	1.1
53.03922	1.4
55.01866	2.9
55.05506	22.0
57.02610	1.2
57.03423	1.6
57.07063	1.3
57.78767	1.5
58.06594	100.0
59.05005	1.5
62.29902	1.2
67.05494	13.4
69.03408	2.7
69.07063	16.5
69.88264	4.3
79.05481	15.4
81.07038	10.9
83.04955	2.1
83.08597	15.3
91.05458	7.8
93.07039	10.1
95.04950	3.4
95.08573	5.3
96.19983	1.4
97.06513	3.0
97.10161	33.8
98.23364	1.7
103.05450	2.2
105.07012	10.2
107.04919	1.8
107.08581	41.1
109.06506	2.5
109.10157	2.3
111.08062	2.2
115.01184	1.4
117.07030	4.0
119.08532	5.2
121.06466	1.6
121.10120	3.7
125.09612	32.7
131.08464	2.2
133.10133	4.9
135.08035	8.2
135.11708	1.7
145.10130	7.3
147.11674	3.7
147.53111	1.3
149.09625	4.1
151.07553	1.6
153.09079	5.7
157.12230	2.8
159.11685	2.7
161.13214	1.7
163.11115	3.1
165.07019	2.0
171.10220	1.6
171.11652	1.6
173.13202	1.7
179.08556	2.2
181.10147	1.4
181.12292	2.5
190.07767	1.8
191.08536	9.6
194.07193	3.2
203.12749	38.0
203.14577	2.5
205.06456	2.9
207.08026	5.5
208.08849	2.3
209.09612	3.6
219.07933	6.7
220.08859	3.0
221.05969	1.5
221.09488	1.8
222.06717	7.0
223.07448	1.7
223.11160	2.5
233.05940	1.7
235.07521	4.3
236.08315	7.5
237.09111	13.7
239.07018	1.4
239.10545	2.0
247.07542	3.6
250.06273	2.6
251.06839	1.8
251.10619	6.9
252.07677	2.0
255.09966	2.4
257.18909	6.6
263.10809	1.6
264.07770	2.4
265.06030	2.5
265.08585	32.4
266.09079	4.7
267.06494	3.1
267.10059	2.6
275.20020	21.2
275.38098	1.4
279.10120	15.5
280.10730	2.6
282.08884	15.0
289.21594	7.3
294.12442	33.6
295.09595	10.3
295.12680	2.1
296.10010	1.7
297.11188	48.3
298.11331	5.7
299.12689	7.0
307.22635	3.8
310.11972	14.4
311.12857	3.4
312.08551	4.6
325.14359	15.5
326.10086	3.0
326.14636	2.1
327.10922	2.1
342.13278	15.0
342.16956	93.9
342.23407	10.5
343.13696	1.8
343.17276	8.7
343.25186	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	342.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99549	0.1
55.05502	0.3
57.07069	10.0
58.06593	11.9
59.06907	0.3
60.04511	0.3
61.02973	0.1
62.06078	3.5
69.07056	0.4
69.55975	0.5
71.08623	5.1
72.08141	1.8
74.06085	0.3
75.54681	0.1
79.19779	0.1
81.07034	0.2
85.10169	0.8
90.33346	0.1
91.05460	0.2
95.08607	0.3
107.08567	0.1
121.27175	0.1
142.16234	0.1
145.10121	0.2
152.06168	0.2
156.17453	1.6
166.07704	0.2
170.18964	0.2
171.11461	0.1
172.16905	0.3
174.18510	5.7
175.18909	0.2
179.08556	0.3
184.20596	0.6
189.06956	0.3
191.08487	1.0
194.07216	0.3
202.21645	1.3
205.06474	0.3
206.06943	0.1
207.08044	0.6
208.08704	0.2
209.09521	0.5
212.23697	1.4
218.07315	0.2
219.08041	0.7
220.08798	0.3
221.06003	0.2
221.09714	0.1
222.06711	1.0
223.07341	0.1
223.11131	0.2
226.25322	0.2
228.23087	0.2
230.24745	4.2
231.25084	0.2
233.05917	0.3
235.07480	0.5
236.08258	0.7
237.09087	1.2
239.06949	0.2
247.07558	0.2
250.06142	0.3
251.10699	0.6
252.07646	0.2
253.08458	0.2
265.08554	3.8
266.08984	0.5
267.06506	0.4
267.10077	0.4
279.10110	1.5
280.10788	0.2
281.08142	0.1
282.08893	1.2
283.09088	0.2
284.10281	0.2
294.12460	2.8
295.09592	1.2
295.12823	0.3
296.09927	0.3
297.11160	4.3
298.11328	0.6
298.34601	0.4
299.12720	0.6
310.11932	1.5
311.12430	0.3
312.08829	0.1
324.36011	1.0
325.14313	1.3
326.10367	0.2
326.14578	0.2
342.09756	0.5
342.13382	0.9
342.16968	8.4
342.37241	100.0
342.74426	0.2
343.11703	0.5
343.17300	0.9
343.25043	0.5
343.37576	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	343.1234
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01861	13.2
56.96556	35.3
57.03419	6.5
58.06593	13.4
61.02919	9.7
69.03417	40.4
69.84105	5.5
70.64835	6.2
70.65148	5.0
73.02901	7.9
81.03413	9.5
85.02900	100.0
89.91626	5.1
90.26340	4.6
91.05431	7.5
92.90987	5.9
97.02862	35.5
98.97552	7.9
99.04461	9.8
109.02872	6.4
119.01904	7.3
121.06493	6.6
126.98779	5.1
127.03912	61.8
130.93300	24.2
135.08615	5.6
137.05959	22.2
143.01906	14.0
144.99818	18.4
145.03468	20.0
145.04926	37.2
148.94344	7.2
151.07527	20.7
154.94212	7.1
158.09549	4.9
158.99611	12.2
163.04552	5.7
164.10703	15.5
172.95291	11.4
172.99327	22.6
177.02457	7.8
180.10300	6.0
182.11739	9.4
186.99243	25.1
187.00682	6.2
189.02460	22.5
190.95367	12.4
191.00391	9.2
205.00179	27.6
205.01886	9.5
208.96507	9.6
215.00417	14.8
225.06796	7.7
230.98256	8.4
232.96474	7.0
233.01392	14.9
239.00352	12.1
248.99051	16.2
266.99826	11.3
282.99460	7.8
285.00961	8.9
296.41357	5.1
299.02524	8.2
301.00446	13.5
344.09033	10.2
344.17181	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	343.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	13.2
56.96556	35.3
57.03419	6.5
58.06593	13.4
61.02919	9.7
69.03417	40.4
69.84105	5.5
70.64835	6.2
70.65148	5.0
73.02901	7.9
81.03413	9.5
85.02900	100.0
89.91626	5.1
90.26340	4.6
91.05431	7.5
92.90987	5.9
97.02862	35.5
98.97552	7.9
99.04461	9.8
109.02872	6.4
119.01904	7.3
121.06493	6.6
126.98779	5.1
127.03912	61.8
130.93300	24.2
135.08615	5.6
137.05959	22.2
143.01906	14.0
144.99818	18.4
145.03468	20.0
145.04926	37.2
148.94344	7.2
151.07527	20.7
154.94212	7.1
158.09549	4.9
158.99611	12.2
163.04552	5.7
164.10703	15.5
172.95291	11.4
172.99327	22.6
177.02457	7.8
180.10300	6.0
182.11739	9.4
186.99243	25.1
187.00682	6.2
189.02460	22.5
190.95367	12.4
191.00391	9.2
205.00179	27.6
205.01886	9.5
208.96507	9.6
215.00417	14.8
225.06796	7.7
230.98256	8.4
232.96474	7.0
233.01392	14.9
239.00352	12.1
248.99051	16.2
266.99826	11.3
282.99460	7.8
285.00961	8.9
296.41357	5.1
299.02524	8.2
301.00446	13.5
344.09033	10.2
344.17181	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03917	3.0
55.01879	5.7
55.05262	1.2
55.05505	17.1
55.94154	1.0
57.02432	1.0
57.03421	6.6
57.07071	8.5
58.06594	13.6
59.04993	6.4
59.06911	2.3
63.89475	1.1
65.03922	2.4
67.05495	23.3
69.03423	10.6
69.07043	3.5
69.59428	2.1
69.59832	3.1
71.04987	16.5
79.05491	19.6
81.03404	2.5
81.07050	34.4
83.04951	5.0
83.08575	2.1
85.06512	4.3
91.04952	2.1
91.05469	31.7
93.07034	70.2
94.07367	2.8
95.04335	1.8
95.04955	57.3
95.08594	73.5
96.08901	1.7
97.05934	1.6
97.06515	14.2
98.23434	2.0
103.05406	3.7
105.04456	1.9
105.07018	70.4
106.07306	1.9
107.04893	5.5
107.08578	55.2
109.06509	14.9
109.10104	5.0
111.08062	1.2
113.10518	1.0
115.05427	5.7
115.07562	2.4
117.07008	29.0
119.04862	1.7
119.07736	1.7
119.08564	28.0
121.06470	15.8
121.10142	16.2
122.07198	1.4
123.08054	28.8
123.11716	1.4
125.05926	3.1
128.06201	3.9
129.06981	6.4
130.07764	15.3
131.08559	9.9
133.06490	5.9
133.09174	1.4
133.10118	17.8
135.08037	28.4
135.11681	18.2
137.05936	2.6
137.09583	6.2
139.11223	1.7
141.06932	2.1
142.07724	4.7
143.08531	12.1
145.06396	2.4
145.10107	88.8
146.10439	3.6
147.08025	15.2
147.11658	5.3
149.09543	6.9
151.07524	47.6
153.09024	4.3
155.08444	3.8
156.09291	3.1
157.10100	9.5
158.10689	1.2
159.07996	4.6
159.11679	9.0
159.16228	1.2
161.09601	10.9
161.13185	3.1
163.07503	1.9
163.11160	76.1
164.11458	2.6
165.05374	4.3
165.06822	1.5
165.09103	19.7
167.08562	2.4
168.09167	1.1
169.10013	4.1
170.10904	1.5
171.11705	5.9
173.09578	6.2
173.13205	4.0
175.11162	7.0
175.14877	1.4
177.09132	6.0
179.06966	4.2
179.10666	1.5
180.09291	1.3
181.10025	1.7
181.12137	3.9
182.10750	1.6
183.11609	4.2
185.09535	3.2
185.13167	3.4
187.11089	6.2
187.14719	1.9
188.11812	1.7
189.09042	3.1
189.12706	12.2
191.10570	2.2
191.14267	2.8
195.11694	2.1
197.13188	4.3
199.11044	3.3
199.14793	1.5
201.12682	2.3
203.14287	11.0
207.10049	2.9
207.11868	1.7
207.13708	8.1
209.13307	2.7
209.15280	4.3
211.14740	1.8
213.12663	1.9
215.14185	3.6
217.12151	2.8
217.15709	1.6
220.08450	1.2
221.13245	2.7
221.15346	39.9
223.14735	2.4
225.12625	2.3
225.16341	2.1
233.15294	4.9
237.08778	1.2
240.23067	2.1
243.13637	3.7
245.15285	2.3
251.14084	1.7
251.16415	1.3
263.16345	9.0
266.08740	3.9
268.06882	1.6
269.15164	4.7
279.21082	1.9
280.10382	2.8
283.09177	1.6
286.19159	4.7
287.16452	2.6
287.19839	3.4
295.12872	6.0
296.09875	2.4
298.11530	6.0
307.20480	2.0
311.12366	2.6
314.06461	2.9
325.21570	13.5
326.14252	2.1
334.24240	1.9
342.74158	2.1
343.11487	3.3
343.13126	3.7
343.17358	8.1
343.22473	100.0
343.74908	2.8
344.11118	8.7
344.18930	1.2
344.22906	6.7
344.31543	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	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03952	2.8
53.62050	2.0
55.01862	7.3
55.05505	21.0
57.03436	10.4
57.07068	11.1
58.06595	24.3
59.04991	6.9
65.03931	3.0
67.05498	30.6
69.03424	11.6
69.07068	14.0
69.58963	2.0
70.06568	2.3
71.04993	19.0
72.08106	2.1
79.05483	29.0
81.03398	4.3
81.07047	35.4
83.04974	4.4
83.08626	3.1
85.06497	4.0
88.98011	1.9
91.05469	35.3
92.07186	2.1
93.07033	77.0
95.04957	65.8
95.08593	100.0
96.05283	2.0
96.08954	2.4
97.06526	14.5
103.05447	3.5
105.04514	2.7
105.07017	90.3
105.18294	1.9
106.07363	2.5
107.04962	4.6
107.08582	60.9
108.08922	2.8
109.06514	20.1
109.10136	7.9
111.08076	5.0
115.05437	6.2
117.07006	34.5
119.08563	30.8
121.06493	18.2
121.10140	23.5
122.07304	3.5
123.08053	28.6
125.05947	3.8
128.06215	5.3
129.06995	4.5
130.07779	23.3
131.08572	12.6
133.06490	6.4
133.10112	17.2
135.08014	28.3
135.11679	15.1
137.06009	4.5
137.09616	5.5
142.07777	2.6
143.08542	13.8
145.06453	3.1
145.10100	92.0
147.08031	16.2
147.11658	6.6
149.09589	7.6
151.07520	51.6
153.09044	3.4
155.08521	3.0
156.09282	2.8
157.10185	10.2
159.08038	5.3
159.11646	9.8
161.09604	10.7
161.13255	4.7
163.07568	2.6
163.11162	62.5
165.09085	21.2
169.10106	5.3
171.11652	6.7
173.09590	5.4
173.13235	6.4
175.11107	5.4
177.09116	5.3
179.06996	4.0
179.08495	3.0
179.10716	3.2
181.12181	2.2
183.11702	5.8
185.13242	3.5
187.11153	7.3
189.12723	12.5
191.14388	3.1
195.11618	4.5
201.12689	2.5
203.14293	10.4
207.11931	2.5
207.13815	7.8
209.13391	3.8
209.15329	4.9
215.14276	2.9
217.12292	5.2
221.13399	3.3
221.15349	24.5
223.14911	3.0
237.08775	2.2
238.09337	3.5
240.23128	5.2
243.13959	2.4
253.08618	2.1
263.16364	8.4
266.08945	5.7
267.09357	2.2
269.15286	4.7
280.10336	4.7
282.08771	3.3
286.19250	5.7
287.16370	2.6
295.12869	8.9
296.09988	2.6
298.11539	8.9
311.12265	3.7
313.06912	3.1
325.21646	8.5
326.14703	4.6
342.74442	6.1
343.11517	6.0
343.13489	4.6
343.17328	17.3
343.22632	66.1
343.29922	2.9
343.75244	4.7
344.18863	2.5
344.22678	3.6
344.31464	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	343.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01865	6.3
55.05502	17.5
57.03429	11.0
57.07071	11.6
57.28376	1.8
58.06592	28.1
59.04992	8.6
59.06928	5.4
65.03938	3.0
67.05494	34.9
69.03419	12.0
69.07057	5.6
70.52821	1.9
71.04987	25.1
71.08606	2.2
72.08120	1.7
76.63438	1.8
79.05480	26.3
81.03400	4.0
81.07046	35.2
83.04962	6.9
85.06532	5.6
88.07603	2.9
91.05464	44.0
93.07030	78.5
95.04955	63.7
95.08595	100.0
96.08916	2.3
97.06521	15.8
103.05473	3.7
105.04519	3.4
105.07015	88.6
106.07341	3.1
107.04951	4.2
107.08575	62.9
108.05726	2.4
108.08824	2.0
109.06499	18.5
109.10123	4.0
111.08027	3.4
115.05429	10.4
117.07002	34.6
119.08563	32.2
121.06496	20.2
121.10125	21.5
122.07233	2.4
123.06673	2.0
123.08063	33.6
125.05998	1.6
128.06226	3.0
129.06963	8.9
130.07767	24.9
131.08553	8.5
132.68600	1.8
133.06473	8.0
133.10110	15.3
135.08052	25.3
135.11681	18.1
137.05920	2.2
137.09584	6.4
141.07005	2.2
142.07806	3.3
143.08559	15.0
145.06606	1.9
145.10101	88.1
146.10455	2.7
147.08014	18.7
147.11662	4.3
149.09599	6.2
151.07516	55.2
153.09071	3.1
155.08551	3.1
156.09349	3.7
157.10133	8.3
159.08047	3.4
159.11647	6.9
160.70976	1.6
161.09619	10.5
161.13239	4.4
163.11159	60.6
164.11588	2.7
165.09061	16.7
167.08510	2.9
169.10138	3.9
171.11664	5.9
173.09610	6.3
173.13226	4.7
175.11156	4.6
177.09096	7.1
179.06982	4.7
179.08406	2.1
181.12228	3.2
182.11040	1.8
183.11771	3.0
185.09674	2.5
185.13269	3.8
187.11142	6.8
189.09029	2.5
189.12675	11.3
191.10616	2.2
191.14351	2.8
192.08928	3.0
193.12318	3.2
197.13274	6.0
199.11252	2.7
200.11674	1.8
201.12755	2.4
203.14221	9.7
207.10080	2.5
207.13716	5.6
209.13364	3.2
209.15340	4.0
211.14772	1.9
211.60901	1.8
215.14233	2.8
217.12244	2.3
221.15347	30.4
223.07315	2.4
225.12695	4.1
233.15393	2.9
238.09515	4.1
240.23184	4.0
241.15753	4.1
245.15271	2.7
263.16394	6.3
266.08890	12.5
269.15341	5.7
274.19379	2.3
280.10516	4.8
282.08722	2.7
282.27856	32.2
283.09177	4.1
286.19232	7.3
295.12787	10.9
296.10168	3.8
298.11447	10.9
307.20477	1.9
311.12384	5.2
313.06885	3.2
325.21555	6.8
326.14484	5.7
326.30557	4.9
334.24371	5.3
342.74524	5.1
343.11838	6.1
343.12500	5.9
343.17352	25.8
343.22635	55.7
343.32953	9.4
343.75134	8.2
344.18539	2.7
344.22000	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	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.7
55.01865	2.5
55.05503	68.4
57.03429	14.8
57.07066	41.9
58.06591	19.8
58.07396	1.9
59.04987	2.0
59.06930	1.8
62.06092	2.9
67.05493	82.9
69.07057	94.3
71.04974	5.3
71.08620	26.2
72.08147	3.2
73.02876	1.8
73.06539	1.7
73.17529	1.6
75.04453	3.0
78.04742	1.8
79.05478	55.3
80.68484	1.6
81.07043	100.0
82.07369	2.9
83.04967	5.6
83.08605	62.6
85.06531	6.5
85.10174	15.9
91.05443	9.7
93.06441	3.3
93.07029	67.8
95.04947	3.8
95.08591	83.4
97.06513	33.6
97.10151	38.1
97.10738	2.9
98.22667	2.7
99.08073	4.5
103.03887	2.1
105.07024	4.9
107.08576	52.1
108.08908	1.9
109.10142	34.1
111.08056	13.5
111.11711	15.8
121.10125	98.3
122.10489	2.7
123.11693	19.9
125.09595	8.0
125.13219	2.5
129.05435	2.2
129.09065	2.3
133.10136	2.8
135.11671	74.8
137.13219	13.8
139.11163	7.2
140.15402	1.9
145.99139	1.7
149.13232	34.0
151.14804	12.0
153.12752	7.7
154.07069	2.1
163.14799	13.7
167.14255	2.1
175.18869	2.4
177.16336	9.7
181.15849	3.8
185.15425	2.4
191.17917	3.5
195.17413	2.9
223.06989	2.1
233.22604	78.1
234.22929	4.8
236.07942	2.7
238.09326	2.5
240.23288	5.2
251.23645	60.4
252.23991	3.7
266.08942	6.3
269.24728	5.7
280.10339	2.5
282.08951	4.1
283.09210	5.0
295.12823	6.1
297.10999	2.8
298.11441	8.2
299.09201	2.4
311.12262	2.9
313.06931	6.6
317.69864	1.8
325.27328	45.1
326.27585	2.8
327.08521	2.1
334.24493	4.0
342.37372	4.7
342.74194	4.4
343.11264	10.6
343.17322	13.4
343.21478	1.9
343.25113	20.0
343.28531	4.5
343.37579	50.4
343.75165	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.8
58.06591	4.0
61.02912	1.6
62.36650	0.5
66.24995	0.5
69.03426	3.0
69.17392	3.8
71.04945	0.8
73.02905	1.0
81.03397	1.3
85.02396	1.0
85.02892	16.6
91.03938	0.6
91.05475	5.3
95.05027	0.6
97.02874	3.9
98.23428	1.3
99.04442	0.8
103.58035	0.6
109.02863	1.3
119.04932	19.2
120.05309	0.9
123.04420	2.7
127.03916	3.4
145.04912	3.5
147.04390	100.0
148.04733	1.8
155.83197	0.6
165.05460	49.8
166.05841	1.6
180.08658	1.3
182.08002	0.6
236.78996	0.6
326.13840	1.0
344.03915	0.6
344.11093	0.9
344.14685	2.2
344.18546	2.8
344.22092	2.6
344.25610	4.1
349.62219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
58.06603	3.3
61.02911	1.6
69.03426	3.7
70.62284	0.7
73.02895	1.2
74.06035	0.6
81.03403	1.3
85.02393	1.2
85.02894	16.9
87.67838	0.6
91.03916	1.1
91.05470	6.2
95.04962	0.7
97.02879	3.1
99.04456	0.8
109.02841	1.3
119.04926	17.4
123.04404	1.7
127.03881	3.4
145.04951	3.3
147.04388	100.0
148.04745	3.2
163.33263	0.6
165.05460	46.8
166.05801	2.2
180.08698	1.2
199.31137	0.6
212.79837	0.7
297.09604	0.7
326.20972	1.0
344.11453	1.6
344.14697	4.1
344.18536	3.2
344.22110	3.4
344.25604	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	344.17
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
56.05000	1.1
56.96556	26.0
57.03396	1.2
58.06589	19.1
58.60394	0.8
59.04973	3.1
60.05605	0.7
61.02900	2.6
65.03915	1.4
69.03413	6.9
69.51997	0.9
69.52325	3.7
70.06550	2.4
71.04945	0.8
71.95240	0.8
72.08109	1.2
79.05468	0.8
81.03375	2.6
81.07042	0.9
84.08067	1.0
84.95978	1.1
85.02406	1.2
85.02885	14.2
86.09659	2.2
87.04424	2.0
91.03906	1.5
91.05463	40.2
92.05772	1.0
93.07008	2.2
95.04910	3.6
97.02874	5.5
98.23389	1.0
98.97565	13.1
99.04317	0.8
103.05395	1.4
103.07533	1.4
107.04889	2.0
109.02846	2.2
109.06484	1.6
110.97542	1.5
116.98600	8.0
119.04922	31.3
120.05322	1.1
121.06483	17.4
122.07004	0.8
127.03880	4.0
128.98579	1.4
130.93233	2.8
134.99597	2.9
136.05191	4.1
136.07524	1.8
137.05948	73.5
138.05356	1.0
138.06293	1.8
140.03757	1.0
140.98518	3.5
145.04932	1.4
146.99597	1.0
147.04469	0.8
149.08333	6.0
151.07510	100.0
152.07753	3.0
154.93150	1.0
158.04857	2.5
158.99660	4.5
160.06369	3.3
161.01135	1.4
162.75569	0.7
164.05618	1.8
164.06952	1.8
164.10687	30.5
165.11127	5.0
167.99695	1.2
168.98047	1.2
172.94315	5.1
177.00732	1.4
178.07320	1.4
180.06445	1.6
182.06677	2.7
182.11729	56.7
183.11980	1.8
186.00655	3.5
186.95793	0.9
186.99132	5.7
188.05807	2.4
190.95352	4.4
205.00188	5.7
206.06987	6.4
208.96312	1.5
212.96985	1.0
214.95352	1.5
219.01640	1.7
224.08064	5.1
230.98013	2.8
232.96298	3.6
243.01958	1.1
246.97714	1.0
248.95804	0.9
248.99065	3.4
249.03146	0.9
250.97318	0.9
256.96130	1.3
272.99329	1.2
274.09329	0.9
274.97360	7.4
278.51044	0.8
282.06207	1.4
290.96725	1.1
292.98618	3.9
293.01877	0.7
300.07520	8.2
318.08340	2.8
321.01340	2.3
326.05356	0.9
344.02850	1.1
344.06888	1.6
344.16922	55.9
345.11203	1.9
345.17166	2.7
345.22220	1.6
362.07559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1852
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
56.05023	0.5
56.19955	0.3
58.06592	92.1
59.06924	0.9
60.04513	0.6
69.19837	2.4
72.08150	0.4
73.03413	0.4
79.05479	0.6
91.05008	0.3
91.05456	2.2
94.04188	0.5
109.06529	0.5
115.05426	4.7
117.07009	1.6
119.04961	1.5
121.06477	0.7
122.03610	2.0
137.05957	33.6
138.06349	0.8
143.04903	16.4
143.06036	0.9
144.05243	0.4
145.06413	0.4
147.04352	0.7
149.05995	0.9
151.07520	7.3
152.07840	0.4
160.05206	2.2
161.06024	0.6
174.09145	0.9
175.07520	14.8
176.08200	0.6
176.10657	0.5
177.05493	0.6
177.09084	1.0
179.08589	0.7
192.10147	4.1
193.10942	1.6
194.11777	0.6
207.08009	2.9
209.09634	1.0
220.05063	0.5
235.07581	1.7
237.09137	0.7
239.10657	1.8
241.08632	0.7
241.12289	1.1
260.71457	0.4
263.06943	1.8
267.10059	2.1
269.11795	1.6
284.10297	0.5
295.09583	1.1
299.12732	9.0
300.13214	0.9
301.14291	4.3
312.15948	0.9
312.19336	0.6
329.16315	0.4
344.18512	100.0
344.25766	11.1
345.18845	6.4
345.26025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23722	0.9
57.03424	1.4
58.06599	2.5
59.04995	61.3
61.02913	1.8
69.03435	3.1
69.54163	2.9
69.54536	2.1
75.25696	0.8
77.06030	3.6
77.99737	1.0
81.03413	1.2
83.72462	0.9
85.02897	12.7
85.28814	1.0
89.06019	18.0
97.02878	3.4
98.23418	2.2
99.04398	1.4
100.07011	0.9
103.07566	64.7
104.07928	1.0
108.69657	1.0
109.02880	1.2
112.24315	1.0
127.03899	2.1
129.10361	1.0
133.08612	10.7
143.03091	1.2
145.04939	3.3
147.10120	1.3
157.64009	0.9
164.07007	1.7
165.11206	100.0
166.11551	3.6
174.41632	0.9
180.06537	1.8
181.06767	1.1
182.06946	1.2
229.57251	1.0
232.32095	1.1
236.11887	0.9
277.35007	1.1
308.22482	1.1
344.18472	1.4
345.14890	3.0
365.20871	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65084	3.2
55.01865	3.6
55.05513	8.3
57.03423	9.3
58.06591	28.9
62.27713	3.6
66.77308	3.2
67.05511	21.8
69.07061	21.7
69.53470	12.8
71.04979	13.7
73.02919	5.8
75.55015	3.5
79.05496	25.6
80.50994	3.5
81.03405	9.7
81.07047	23.1
83.04971	6.8
85.06477	3.2
91.05465	10.7
93.07042	21.1
95.04955	20.3
95.08603	15.1
97.06524	100.0
104.99258	6.0
105.07022	12.8
107.08587	11.5
109.06493	8.8
109.10107	6.7
111.08123	4.2
115.03917	5.4
115.07544	21.4
115.36527	3.4
117.07005	8.1
119.08555	6.9
121.06534	4.8
121.10134	5.4
131.08531	8.6
133.10101	6.1
135.07927	4.3
135.11716	8.1
145.10106	7.5
149.09663	3.5
149.13275	4.6
177.12761	5.0
195.13805	6.2
223.13104	3.9
262.98065	5.6
273.18570	6.8
327.15048	4.1
343.75156	15.2
344.14471	9.3
344.18454	7.4
344.25653	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	344.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01896	10.4
55.05506	86.9
57.03426	21.5
57.56019	10.0
58.06596	76.9
67.05505	100.0
69.03410	20.1
69.07065	25.9
69.65125	29.0
71.04987	25.6
79.05486	71.5
81.03403	14.3
81.07046	95.9
83.04992	28.9
83.08612	32.8
83.60357	9.2
85.02950	8.6
85.04079	10.1
85.06535	9.1
91.05464	64.6
93.07035	75.3
93.20154	10.5
95.04950	38.5
95.08568	62.0
95.46219	9.8
97.06531	12.1
97.10155	21.0
98.22768	18.9
99.08086	19.2
104.99253	44.2
105.07027	51.4
107.04907	13.0
107.08575	37.5
109.06493	47.7
109.10130	33.6
111.08054	25.4
116.86704	9.7
117.07027	14.1
119.08556	34.8
121.06467	10.3
121.10135	58.7
123.08039	21.6
125.09636	14.9
131.08562	19.9
133.10130	33.1
135.08018	13.1
135.11678	21.7
137.09639	23.8
139.11134	11.0
145.10081	13.3
147.07971	12.7
147.11694	12.5
147.95708	10.2
149.09566	27.5
149.94099	9.8
159.08038	13.8
161.09615	17.0
163.04163	8.7
163.11227	13.5
167.10695	15.2
179.10684	15.0
189.11230	14.9
226.21696	12.4
256.26434	11.9
262.98111	29.7
291.19550	25.2
312.37344	10.5
314.07870	11.7
326.15927	15.0
343.75229	55.3
344.11655	57.2
344.18243	22.1
344.25424	32.2
345.12210	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	344.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84260	0.2
55.05508	0.2
56.05029	0.8
58.06593	9.3
67.05506	0.4
69.25196	1.2
72.08141	1.1
79.05491	1.0
81.07056	1.7
84.08134	1.0
91.05465	1.5
93.07016	1.8
95.08598	0.8
97.68903	0.2
98.09671	1.9
105.07020	1.2
107.08561	1.2
109.06508	0.3
109.10100	0.4
110.09689	1.7
117.07014	0.9
119.08582	0.8
121.06458	0.2
121.10156	0.8
122.09667	1.3
122.10429	0.3
123.08031	0.4
124.11211	2.5
126.12768	0.2
129.06975	0.6
131.08571	0.9
133.06442	0.4
133.10037	0.6
135.08011	2.9
135.11638	0.5
141.06961	0.3
143.08566	0.9
145.10098	0.5
155.08534	0.9
157.10110	0.8
159.11668	0.7
169.10141	1.1
171.11630	0.9
175.07568	0.3
175.11256	0.2
177.16328	1.2
183.11674	0.7
185.13191	0.8
195.11787	0.3
197.13245	0.4
207.11604	0.3
213.18456	0.3
216.17531	0.8
219.33054	0.2
257.71484	0.2
298.21637	0.6
298.24667	0.2
299.12128	0.3
308.23666	2.7
326.24722	27.2
327.25113	2.7
344.25781	100.0
345.26138	8.9
345.29504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2579
Annotation	Atisine
Peak:m/z	Relative Intensity
51.84260	0.2
55.05508	0.2
56.05029	0.8
58.06593	9.3
67.05506	0.4
69.25196	1.2
72.08141	1.1
79.05491	1.0
81.07056	1.7
84.08134	1.0
91.05465	1.5
93.07016	1.8
95.08598	0.8
97.68903	0.2
98.09671	1.9
105.07020	1.2
107.08561	1.2
109.06508	0.3
109.10100	0.4
110.09689	1.7
117.07014	0.9
119.08582	0.8
121.06458	0.2
121.10156	0.8
122.09667	1.3
122.10429	0.3
123.08031	0.4
124.11211	2.5
126.12768	0.2
129.06975	0.6
131.08571	0.9
133.06442	0.4
133.10037	0.6
135.08011	2.9
135.11638	0.5
141.06961	0.3
143.08566	0.9
145.10098	0.5
155.08534	0.9
157.10110	0.8
159.11668	0.7
169.10141	1.1
171.11630	0.9
175.07568	0.3
175.11256	0.2
177.16328	1.2
183.11674	0.7
185.13191	0.8
195.11787	0.3
197.13245	0.4
207.11604	0.3
213.18456	0.3
216.17531	0.8
219.33054	0.2
257.71484	0.2
298.21637	0.6
298.24667	0.2
299.12128	0.3
308.23666	2.7
326.24722	27.2
327.25113	2.7
344.25781	100.0
345.26138	8.9
345.29504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2581
Annotation	Cuauchichicine
Peak:m/z	Relative Intensity
50.13521	0.2
55.05063	0.2
55.05521	0.3
58.06592	11.8
60.04505	0.3
69.03412	0.4
69.75081	0.7
70.06584	0.5
72.08134	1.4
79.05476	0.4
81.03403	0.3
81.07045	0.5
85.02880	1.0
86.09698	0.4
91.05450	0.7
93.07038	0.4
97.02880	0.3
98.09670	0.2
105.07008	0.7
107.08591	0.3
117.06998	0.2
119.04905	1.1
119.08553	0.4
123.04427	0.3
129.07018	0.4
131.08495	0.5
143.08484	0.2
145.10106	0.3
147.04384	3.8
148.04645	0.3
157.10039	0.4
164.01602	1.3
165.05458	2.2
169.10146	0.3
181.10095	0.2
182.02678	0.9
183.11594	0.3
193.10007	0.3
195.11667	0.2
197.13342	0.2
209.13147	0.3
235.14713	0.2
280.16971	0.5
281.08041	0.5
281.35611	0.2
298.17899	0.3
299.05368	0.4
299.08902	0.4
308.16592	0.2
326.17325	1.0
326.21063	0.4
329.09055	0.7
343.71875	0.2
344.11304	1.1
344.18585	8.1
344.25772	100.0
345.10950	0.6
345.14874	0.5
345.18936	0.9
345.26102	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	345.1327
Annotation	Nigrolineaxanthone A
Peak:m/z	Relative Intensity
51.02373	0.4
53.03955	0.3
55.01855	0.7
68.99783	0.3
69.96792	0.6
77.03915	1.0
79.05032	0.5
79.05481	7.9
82.50169	0.3
91.05445	1.7
93.52062	0.3
95.04955	3.5
104.32559	0.2
104.99252	0.6
105.04502	1.1
105.06996	0.8
107.04939	53.9
107.65485	0.2
108.05299	1.2
115.05402	0.5
117.06960	0.3
119.04898	0.5
127.97984	0.2
128.66855	0.3
131.04912	1.3
133.06459	1.0
144.05702	0.3
145.06480	0.5
153.05382	0.4
160.05162	0.4
161.05956	0.5
163.03880	0.9
167.03383	0.3
176.04716	0.6
177.05345	0.4
178.02649	0.3
178.06247	0.5
179.03368	0.6
181.01387	0.3
181.04944	1.7
181.06429	0.4
185.05981	0.3
188.04758	0.3
189.05431	0.6
190.06232	0.3
191.03377	1.1
193.04950	1.9
193.08571	0.3
194.05716	0.5
195.03006	0.3
195.06537	1.5
196.03680	0.9
198.91806	0.3
199.02370	0.4
203.03450	0.3
204.04088	0.5
205.04944	4.9
206.05664	2.7
207.02821	0.7
207.06441	0.8
209.04399	8.9
209.06241	0.5
210.04837	0.4
211.05992	1.4
219.02946	0.4
221.04408	9.5
221.08005	0.9
222.05112	1.1
223.05898	2.1
224.06760	7.5
225.07144	0.3
226.06326	0.3
226.21591	0.6
235.05933	0.8
235.89287	0.3
236.06694	5.7
237.07484	2.7
237.09166	2.3
239.06706	0.5
239.09116	8.7
251.09123	9.1
253.08548	0.6
262.98199	0.4
265.05386	0.3
265.08566	1.8
266.09299	1.0
267.10205	0.4
268.07480	0.4
269.08054	6.6
270.08356	0.8
271.05988	1.8
277.08408	0.3
279.06497	0.4
281.08173	0.6
283.09555	2.4
284.10098	0.3
289.74878	0.3
293.08267	0.4
294.08932	1.3
295.06097	0.5
295.09619	1.3
296.10205	0.4
297.07520	10.6
298.07837	0.9
311.09113	1.8
312.09888	3.1
327.12204	100.0
328.12527	6.5
345.13281	8.9
345.19653	0.3
346.13657	0.7
361.72299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74138	0.4
55.01854	0.5
55.05484	0.8
58.06595	4.3
69.03423	0.7
70.06589	1.5
72.08146	4.9
72.33914	0.4
81.03407	1.1
84.08134	1.0
85.02884	1.0
86.09712	0.6
91.05466	0.5
95.04946	0.4
97.02866	0.6
109.02854	0.7
109.06501	0.6
123.04462	0.5
126.01085	0.4
126.56432	0.4
129.10222	1.3
137.05962	2.6
141.05424	0.5
143.11801	2.0
145.04944	0.4
152.06888	0.5
154.46477	0.4
165.08871	1.3
171.11314	0.8
175.10809	1.2
183.06477	1.3
183.09914	1.4
183.11392	0.9
185.05904	0.4
190.08585	0.7
191.06982	0.4
203.05273	2.7
211.08838	0.6
225.10115	0.6
239.08490	0.5
253.09572	0.4
268.06073	0.5
281.09033	0.4
285.09406	0.6
287.11008	1.7
299.10342	0.5
309.09314	0.8
327.09933	1.6
327.14105	2.1
328.15659	0.8
328.19034	1.6
328.22491	0.6
330.09235	2.8
345.11307	6.6
345.15140	100.0
346.08920	1.6
346.15668	6.1
346.20041	10.9
346.23801	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	345.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74421	0.6
54.93538	0.5
55.05510	3.0
57.07065	1.5
58.06591	1.6
67.05497	1.4
69.07055	4.0
70.06582	3.9
71.08615	1.7
79.05471	1.2
80.78648	0.6
81.07068	3.2
83.08601	1.7
88.07623	5.3
91.05451	0.8
93.07039	1.9
95.08598	2.2
97.10143	2.3
102.09161	3.5
104.99264	4.0
105.07023	1.6
107.08576	2.0
109.10128	1.9
119.08580	1.2
121.10152	1.3
122.01083	0.6
133.06479	0.8
135.11699	1.0
145.10049	0.9
147.11661	0.7
149.13203	0.7
150.03104	3.3
161.05975	0.9
163.14818	0.9
168.04138	1.3
196.03664	2.3
211.05989	9.1
262.98062	2.9
281.12756	1.9
284.29413	8.3
299.13867	1.2
314.06418	0.8
345.13330	4.2
345.20297	100.0
345.31552	2.8
346.20706	5.4
346.33096	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55589	0.6
53.57109	0.5
54.67138	0.5
55.05513	0.6
57.07064	1.2
58.06580	2.3
69.68053	1.0
69.68430	1.1
70.06573	3.7
71.08627	0.9
79.05476	0.7
81.07066	0.6
88.07626	4.8
91.05448	1.0
95.08582	0.8
102.09163	2.9
104.99261	5.0
105.06991	0.7
107.04922	0.9
110.42631	0.5
121.10136	0.7
147.04114	1.4
174.20062	0.5
193.12265	0.6
194.12563	0.8
235.97887	0.7
252.54861	0.6
261.10989	2.7
262.98108	2.4
266.49158	0.7
276.13342	2.0
284.29428	8.2
325.84940	0.7
327.12161	1.2
345.20291	100.0
346.20682	6.7
346.33084	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	345.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99612	1.1
55.05482	2.9
56.28522	1.3
58.06593	14.8
59.06929	1.8
60.04525	1.8
67.05488	2.7
69.07066	6.2
70.56792	1.8
70.57119	1.7
73.02911	4.4
79.05477	2.3
81.07056	7.2
83.08621	3.2
91.05467	2.0
92.05812	1.6
93.07038	7.7
95.08585	11.4
97.10162	2.2
98.09692	1.7
99.08088	6.4
105.07023	2.8
107.08578	12.2
109.10153	3.0
110.09660	1.7
111.08109	2.4
119.08560	1.8
121.10136	24.9
125.09646	2.7
126.45336	1.2
135.11668	3.9
137.13264	2.3
171.70302	1.3
177.16360	52.4
177.17915	2.7
178.16740	2.6
195.17380	8.7
213.18462	17.1
309.23990	3.1
327.25082	28.6
328.25192	2.6
345.18918	4.6
345.26135	100.0
346.27258	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	345.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05502	3.6
56.75649	1.1
57.03415	1.2
58.06594	17.8
58.96999	1.0
59.06918	2.8
60.04521	2.3
61.66494	0.9
67.05486	2.1
67.96976	1.0
69.07069	4.0
69.27132	4.9
72.08102	1.3
73.02905	4.2
77.70502	1.1
79.05486	3.1
81.07045	7.5
81.45713	0.9
83.08614	3.2
83.78841	1.0
83.79853	0.9
85.06541	1.2
91.05467	3.0
93.07028	6.9
95.08585	11.0
97.10163	2.8
98.09676	1.8
99.08072	5.2
105.07008	1.9
106.07310	1.0
107.08579	12.4
109.10135	3.8
111.08062	2.9
115.75269	0.9
119.08561	1.7
121.10126	19.4
123.08054	1.1
125.09576	2.6
125.11558	1.2
133.10181	1.1
135.08058	1.6
135.11661	4.4
137.05939	2.5
137.13248	2.8
139.11134	1.2
143.08604	1.3
169.10164	1.2
177.16360	38.4
178.16637	2.3
195.17395	8.5
196.05956	2.1
213.18446	13.3
239.17996	1.3
309.23785	1.8
327.25037	29.6
328.25070	1.5
344.25714	1.2
344.57886	1.0
345.18869	6.7
345.26132	100.0
346.19891	1.6
346.23734	2.7
346.27426	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	345.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01760	1.7
51.25438	1.7
55.01873	2.4
55.05504	20.6
57.07064	8.2
58.06579	3.3
59.04995	3.8
62.06093	2.1
63.32464	1.8
64.78570	1.9
67.05496	25.9
69.03423	3.3
69.07064	51.3
70.69027	3.4
71.04955	3.2
71.08637	3.8
79.05479	13.8
81.07048	100.0
82.07401	2.5
83.04985	2.6
83.08605	17.9
85.06528	14.5
90.82141	1.7
91.05450	3.6
92.11883	1.8
93.07030	26.8
95.04957	2.5
95.08593	78.7
97.06515	7.7
97.10175	6.5
99.08105	7.2
105.07019	7.4
107.08569	29.7
109.10146	28.6
111.08068	19.4
111.11703	9.6
116.90438	1.8
119.08561	5.3
121.10146	14.8
123.11689	32.3
125.09670	3.3
125.13232	3.3
132.04474	3.1
133.10086	3.8
135.11656	13.1
137.13225	20.8
139.11174	2.7
147.11748	2.0
149.13217	24.2
153.12723	9.5
155.14282	5.0
163.14862	6.0
167.14272	3.9
172.03905	9.1
176.10751	4.7
203.66304	2.1
205.11169	2.6
223.05463	2.3
253.08932	2.0
272.34891	2.2
279.26849	3.6
291.26846	7.6
297.13370	2.6
297.27832	2.3
301.08408	6.6
302.17413	9.3
309.27838	11.8
327.28958	2.7
345.13440	3.0
345.26309	3.1
346.08289	18.8
346.20059	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	346.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03181	1.1
56.96559	19.6
58.06591	5.7
60.29818	0.9
69.03399	2.1
70.06575	5.2
71.43156	1.2
72.08139	2.3
84.08117	2.9
86.09705	5.1
87.10045	1.1
88.46062	1.1
91.05463	1.1
93.80569	1.0
98.97566	29.1
110.97584	3.1
112.08713	1.6
116.98610	15.1
126.02291	2.0
129.10258	2.0
130.93298	1.5
134.99670	3.9
137.76355	0.9
138.06325	1.4
140.03830	1.5
142.05367	1.5
143.01836	1.1
151.07564	1.8
152.07895	2.0
158.04857	2.5
158.99652	2.0
160.06441	2.5
161.01247	1.2
162.05577	1.2
165.11040	1.1
165.95033	1.1
166.08730	1.5
172.04471	1.1
172.94333	25.0
183.12245	1.6
186.99164	3.2
190.95370	18.2
205.00177	1.7
208.96422	5.4
214.95358	33.6
216.96930	1.7
224.08078	2.3
232.10501	1.5
232.13794	1.2
232.96425	100.0
233.10449	1.3
233.96992	1.7
237.02747	2.2
248.99106	1.1
250.97485	45.9
255.97955	1.5
256.96454	1.9
274.97507	4.2
277.52191	1.1
292.98578	2.5
304.17926	1.4
310.18015	3.4
328.03690	15.9
328.19101	4.9
345.22540	1.9
346.04813	77.0
346.08148	2.9
346.16898	1.4
346.20047	35.8
346.23251	2.3
347.05219	3.5
347.20303	2.1
364.05856	42.3
365.06421	1.8
366.41959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14040	0.3
55.05488	0.4
58.06590	6.9
60.04517	6.4
62.57543	0.3
67.05498	0.8
67.36536	0.3
69.24184	0.6
69.24592	1.1
70.06583	0.5
72.04496	0.6
72.08141	1.0
75.39158	0.3
79.05483	1.5
81.07050	1.4
82.06585	0.4
86.09714	2.0
91.05476	2.0
93.07029	1.6
95.04937	0.3
95.08606	1.0
98.09656	0.3
99.08084	0.5
105.07035	2.2
105.72746	0.3
107.08593	0.7
109.10136	0.4
117.07018	0.5
119.08558	1.2
121.06458	0.6
121.10179	0.4
128.06197	0.5
129.06972	1.9
131.08537	1.0
133.10094	0.5
134.09659	0.4
135.11661	0.4
141.06963	1.9
143.08542	0.8
144.08078	2.8
145.06410	0.3
145.10117	0.5
146.09601	0.6
147.11662	0.8
153.06929	0.6
155.08548	1.4
157.06450	1.1
157.10094	0.7
159.11684	0.4
162.09019	0.4
165.06946	2.5
167.08511	0.6
168.05690	0.4
169.06467	1.3
169.10086	0.6
173.54187	0.4
176.10815	0.4
179.08504	0.4
181.10091	0.4
183.08026	0.4
183.11629	0.4
185.05991	1.5
185.13248	0.6
190.08592	4.2
193.06470	4.1
193.10133	0.5
195.04381	1.2
195.11655	1.0
197.06068	0.8
209.05997	0.7
209.13260	0.4
211.07545	0.5
213.05461	4.0
214.06085	0.4
215.07005	0.9
221.04005	0.4
221.05981	1.2
221.13251	0.7
223.03864	3.4
237.05530	0.7
239.06995	3.7
241.04919	56.4
242.05341	2.9
243.94977	0.3
247.63641	0.3
254.19034	0.9
264.17532	0.8
282.18433	1.9
283.06033	1.3
292.17020	0.5
292.22681	0.5
300.19543	2.9
301.07022	61.4
302.07349	3.6
310.18069	3.4
328.15503	1.1
328.19000	16.9
328.22202	0.7
328.25095	0.7
329.19339	0.9
346.13223	22.5
346.20050	100.0
346.23825	14.9
347.13116	1.4
347.20380	5.1
347.24109	0.4
356.02979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53542	0.4
58.06343	0.5
58.06598	7.3
64.77005	0.5
67.05480	0.5
69.07055	0.4
69.18314	2.7
70.06580	0.7
77.50636	0.4
85.02900	2.0
86.03253	0.4
86.09692	1.0
91.05441	1.0
91.79674	0.4
93.57014	0.4
97.02869	0.5
98.22593	0.7
119.04925	0.9
131.04878	0.4
131.08549	0.9
134.09692	0.4
137.05956	6.9
141.06934	0.4
143.04921	0.6
143.08481	0.7
147.04396	5.7
147.06770	1.7
148.04752	2.5
148.07582	0.6
149.04904	2.5
151.07466	0.5
155.08435	0.5
157.10083	0.4
165.05489	2.4
166.05757	1.4
166.08627	0.9
167.05969	1.4
167.08603	0.6
175.06259	7.1
175.07582	0.8
176.07040	6.7
177.06975	0.7
178.04950	0.7
189.07947	0.4
190.08601	100.0
191.09225	5.7
204.10262	0.5
205.06325	0.5
208.09708	2.5
222.06694	0.6
237.09041	2.7
239.07076	0.6
241.04901	1.6
247.07607	0.4
265.08542	1.4
287.94598	0.5
297.11102	0.9
300.34381	0.4
301.06998	2.3
310.18063	0.7
310.21616	0.5
312.12146	0.5
328.15347	29.4
328.19022	10.0
328.22705	1.8
329.15726	1.3
329.19348	0.9
335.62955	0.4
346.13528	4.3
346.16724	1.5
346.20001	29.3
346.23761	19.4
347.12787	0.6
347.20343	1.7
347.24115	1.1
355.64755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2009
Annotation	Guan-fu base K
Peak:m/z	Relative Intensity
53.23093	0.4
55.05484	0.5
56.05016	0.6
57.02217	0.4
58.06581	1.4
70.06570	1.1
70.51542	0.8
76.21653	0.4
79.05488	0.8
81.07028	0.8
82.06540	0.6
91.05474	1.1
93.06999	0.9
95.08581	0.9
105.07006	1.5
107.04957	0.5
110.09682	0.4
117.07001	1.1
119.08540	0.6
129.06989	1.2
131.08611	0.7
132.08066	0.6
133.10043	0.4
141.06987	1.0
143.08539	0.9
145.10117	0.7
155.08554	1.6
157.10106	0.9
159.11649	0.5
165.06947	0.5
167.07100	0.9
167.08580	1.2
169.10078	1.5
171.11688	0.7
179.08571	0.6
181.10094	1.4
183.11696	0.9
190.08597	3.1
192.09288	0.6
193.10168	0.5
195.11723	0.8
197.09430	0.4
200.14275	1.1
205.10094	0.8
206.10873	0.5
207.11752	0.7
209.13210	1.1
211.14830	0.4
221.13072	0.6
235.14676	0.6
238.15891	0.8
253.11642	0.4
267.13608	0.6
282.18442	0.8
301.07101	0.5
310.18121	2.0
314.55408	0.5
328.19022	76.3
329.19397	6.4
346.20074	100.0
346.23392	4.8
347.20416	7.6
347.24283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2009
Annotation	Guan-fu base K
Peak:m/z	Relative Intensity
56.05011	0.3
58.06603	1.6
60.04517	4.1
64.41911	0.2
67.05505	0.7
69.25999	1.6
70.06568	0.4
72.04486	0.3
72.08145	0.3
79.05475	1.1
80.05008	0.5
81.07059	1.5
82.06590	0.4
86.09661	0.5
91.05462	1.3
93.07037	1.0
95.08629	0.5
98.23435	0.6
105.07018	2.0
107.08577	0.5
117.06957	0.4
119.08574	1.0
121.10178	0.4
128.06190	0.5
129.06989	0.7
131.08548	1.1
132.08070	0.4
133.10075	0.4
134.09622	0.5
141.07013	0.7
143.08496	0.6
144.08060	6.1
145.08859	0.3
145.10042	0.5
146.09668	1.3
147.11668	0.4
148.11147	0.3
149.09604	0.4
155.08517	1.0
157.10120	0.5
162.09134	0.4
165.06950	0.9
167.08473	0.4
169.10120	0.6
171.11664	0.4
176.10704	0.3
181.10078	0.6
185.70201	0.3
190.08617	1.1
193.06474	0.9
193.10211	0.3
194.10948	0.4
195.11687	1.7
205.10106	0.4
206.10870	0.3
207.11845	0.4
209.13281	0.7
211.14870	0.3
213.05388	0.8
221.05917	0.3
221.13188	0.8
223.03860	0.9
235.14807	0.3
237.16260	0.3
239.06978	0.8
241.04932	11.2
242.05228	0.8
247.14670	0.4
264.17520	0.7
265.15863	0.3
282.18442	1.4
283.06049	0.3
292.16867	1.4
300.19540	1.2
301.07010	11.0
302.07431	0.7
310.17972	5.4
311.18732	0.5
328.19025	18.4
329.19278	1.3
346.12988	3.2
346.20068	100.0
347.20425	8.2
347.24109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2372
Annotation	Dehydrodictysine
Peak:m/z	Relative Intensity
56.05018	0.2
58.06592	1.7
63.27613	0.1
67.05486	0.2
69.26937	0.3
69.27345	0.4
70.06576	0.2
72.08171	0.1
74.06046	0.1
78.03815	0.1
79.05454	0.3
81.07037	0.4
83.04961	0.1
83.53882	0.1
84.08115	0.4
85.02882	0.5
85.06537	0.1
86.09684	0.5
91.05440	0.5
93.07025	0.3
95.08599	0.3
96.08099	0.2
105.07010	0.4
107.08537	0.2
108.08102	0.3
110.09666	0.6
117.07019	0.3
119.04887	0.3
119.08554	0.5
120.05254	0.1
123.08051	0.1
129.06961	0.3
131.08527	0.5
135.11652	0.2
137.05994	0.6
141.06905	0.1
143.08525	0.5
145.10080	0.2
145.93648	0.1
147.04378	1.5
148.04700	0.6
149.04935	0.7
155.08543	0.2
157.10071	0.3
159.11725	0.2
162.12706	0.2
165.05501	0.6
166.05798	0.4
167.05937	0.4
169.10072	0.2
171.11624	0.2
175.06248	0.7
176.07016	0.7
178.04967	0.2
183.11729	0.3
190.08588	10.1
190.32497	0.2
191.09113	0.6
195.11543	0.3
207.11665	0.2
208.09605	0.3
209.13260	0.3
221.13176	0.2
223.14612	0.1
225.16458	0.2
237.08997	0.2
241.04848	0.5
251.17847	0.2
265.08459	0.2
300.19614	0.2
301.07166	0.7
310.17950	0.2
310.21515	0.4
328.15305	2.0
328.18994	2.5
328.22684	2.0
329.15543	0.3
329.19284	0.1
329.22733	0.2
346.20123	6.6
346.23691	100.0
347.12738	0.2
347.20352	0.5
347.24014	6.9
364.90952	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60058	5.0
55.05498	13.8
59.05008	5.7
64.81954	4.8
67.05492	55.9
69.07053	8.1
70.93790	9.8
79.05484	15.4
81.07041	17.9
83.08612	15.9
91.05466	13.9
93.07024	14.9
95.08595	19.6
97.10168	14.3
98.68254	4.8
105.07001	14.6
107.08593	24.2
109.10149	64.5
119.08582	14.8
125.09609	12.3
155.10677	25.4
161.75598	5.4
173.11714	100.0
189.11229	16.6
275.20023	15.9
314.06516	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	346.2737
Annotation	Himbacine
Peak:m/z	Relative Intensity
55.05513	0.1
58.06593	41.8
59.06923	0.5
67.05486	0.1
68.08418	0.1
69.06158	0.1
69.07062	0.1
72.08136	0.8
74.06075	0.1
79.05493	0.2
81.07047	0.2
85.02926	0.1
86.09692	0.2
91.05486	0.3
93.07021	0.2
95.04964	0.1
95.08598	0.2
105.07061	0.2
107.08575	0.2
109.10149	0.1
117.07037	0.2
117.58072	0.1
119.08580	0.2
121.10117	0.1
129.07002	0.2
131.08577	0.3
133.10130	0.1
135.11682	0.2
137.06004	0.1
143.08556	0.2
145.10066	0.1
147.11656	0.1
149.13239	0.1
155.08551	0.2
157.10065	0.1
159.11743	0.2
161.13216	0.2
171.11678	0.1
173.13287	0.1
183.11745	0.1
185.11694	0.2
187.14616	0.1
190.06987	0.1
190.08543	0.3
197.13235	0.1
199.14784	0.1
201.99620	0.1
211.14804	0.1
228.77663	0.1
241.04924	0.1
243.21089	0.2
251.35129	0.1
253.19414	0.3
271.20480	0.2
279.43423	0.1
302.17371	0.1
315.08551	0.1
328.15372	0.1
328.19067	0.1
346.27344	100.0
347.27682	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	347.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64917	4.0
54.74274	4.0
56.96555	81.4
58.06591	44.1
59.06934	5.4
59.38815	4.3
69.03421	12.9
70.06580	8.0
71.43169	4.2
72.08148	11.5
82.06218	4.2
83.17593	4.2
84.04519	6.1
84.08131	20.3
84.96014	5.7
85.02897	19.0
86.09701	8.7
87.82384	4.1
90.58937	4.1
91.05471	4.9
96.36254	4.2
97.02880	7.6
98.97594	23.3
100.99138	9.9
110.97580	13.5
112.89601	5.3
116.98612	11.3
119.00211	6.8
119.01959	5.0
126.73154	4.5
128.98621	16.1
129.10245	18.9
131.01855	6.5
134.99564	5.6
137.05937	5.0
140.98607	6.2
143.00125	7.2
144.98090	5.6
145.03502	6.0
146.99655	11.0
151.07512	7.6
158.99628	19.5
161.01224	10.2
161.02924	6.6
163.02658	7.3
165.00732	9.7
168.98129	5.4
170.99701	5.5
173.01244	8.4
173.12814	8.0
176.03409	5.3
177.00764	9.0
181.03389	6.7
185.04066	6.8
186.99135	31.0
189.00665	5.6
190.98621	13.3
191.02252	4.8
201.00760	7.4
205.00230	27.3
208.99617	26.6
209.03061	8.6
219.01767	13.9
227.04031	15.8
230.98283	9.9
237.02747	9.9
248.99184	16.2
256.96323	7.3
258.98245	5.6
259.59702	4.1
279.07440	7.5
303.03491	4.8
310.18024	10.3
311.18423	8.9
328.19156	11.3
329.19312	16.7
330.20496	9.5
346.16354	5.7
346.20050	65.9
346.23874	18.3
347.07208	100.0
347.10919	6.4
347.16489	19.3
347.20419	67.5
347.23941	11.3
348.10474	16.2
348.14383	14.8
348.21524	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	347.2188
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.63169	0.5
52.80825	0.5
52.94563	0.6
53.32045	0.6
55.05486	0.7
57.07058	1.0
58.06588	1.4
67.05476	0.7
71.19548	0.8
79.05482	1.0
81.07047	1.5
86.09671	1.2
88.07595	0.8
91.05466	0.9
93.07011	0.9
95.08576	0.8
98.44440	0.6
105.06981	1.0
106.55451	0.5
107.04939	0.7
119.08533	0.8
133.10107	0.7
151.03917	0.7
163.11052	0.6
216.39934	0.7
234.14876	0.8
235.15170	1.2
236.16389	1.0
291.21457	2.0
292.22662	1.0
323.40842	0.6
346.33218	0.8
347.21857	100.0
348.22177	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	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05513	0.5
57.07051	0.6
58.06593	0.8
69.87162	1.6
74.06023	0.5
74.76827	0.4
79.05473	0.6
81.07028	0.6
83.82723	0.5
85.74055	0.5
87.28170	0.7
88.07611	1.5
95.04935	0.6
105.99703	0.5
121.06378	0.5
121.10114	0.5
128.65965	0.5
135.08018	0.8
188.51132	0.5
235.12906	1.0
238.13362	0.5
241.16183	0.5
249.14603	2.4
265.14069	0.7
269.74231	0.6
346.33023	2.3
347.21869	100.0
347.33228	3.0
348.22272	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	347.2188
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05020	0.7
57.07059	1.2
58.06588	1.3
67.05489	1.0
69.07049	0.5
69.19280	0.7
69.19682	1.8
70.06590	1.2
71.08601	0.7
74.06062	0.6
78.05520	0.4
79.05485	0.7
81.07038	1.5
88.07619	3.7
91.05475	1.0
93.07059	0.7
95.08595	0.6
98.23448	0.9
102.09151	1.2
102.36688	0.4
105.07000	1.0
107.08585	0.9
109.06457	0.6
119.08514	0.5
133.10188	0.5
145.10066	0.6
151.03850	0.5
157.10155	0.5
230.74649	0.5
235.13098	0.5
284.29266	2.1
285.29785	1.8
299.31451	0.5
346.33057	6.6
347.21866	100.0
347.33313	7.9
348.22205	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	347.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86105	0.4
54.28231	0.4
57.07067	3.3
58.06591	1.5
67.05489	0.5
69.07861	3.1
70.06583	4.3
71.06905	0.6
71.08617	0.8
73.06437	0.5
77.81773	0.5
77.87898	0.4
81.07047	1.1
81.37975	0.5
88.07619	7.2
89.07964	0.8
95.08590	0.5
102.09166	4.3
103.09531	0.6
105.07010	0.7
116.69598	0.4
119.08571	0.6
121.54067	0.4
132.95309	0.5
148.23209	0.5
151.03815	0.5
166.25885	0.5
261.60892	0.6
278.15036	0.8
284.29453	7.6
285.29779	7.1
328.31702	0.5
329.32233	0.8
346.33109	15.9
347.21872	100.0
347.33386	17.9
348.22208	6.9
364.59662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01863	3.9
55.05504	100.0
58.06596	1.3
67.05495	5.8
69.07053	6.7
78.57542	0.9
79.05478	9.7
81.03403	4.1
81.07055	9.3
82.50471	1.0
83.04948	1.3
83.08607	55.7
91.05459	8.5
93.07021	10.0
95.04933	4.9
95.08585	6.7
97.06493	2.4
105.07030	4.9
107.04939	8.0
107.08585	5.0
109.06514	3.9
111.08067	6.3
117.06985	6.5
119.08568	8.1
121.06467	3.1
121.10136	4.3
123.08042	1.2
131.08551	6.0
133.06476	3.6
133.10077	1.8
135.08038	9.3
135.11679	1.1
137.09615	4.3
139.11136	2.3
143.29610	0.9
145.06439	2.6
145.10133	2.5
149.09590	17.5
157.10147	1.0
159.11690	1.5
163.07520	5.4
163.11174	7.8
165.09140	1.9
173.09712	1.4
177.09058	3.6
177.57286	1.2
201.16455	2.4
203.08417	1.1
211.14883	1.3
219.17384	1.4
228.86143	1.0
229.15816	2.9
242.48553	1.0
247.16910	7.5
265.17953	14.9
347.25900	13.6
349.13129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01874	1.6
55.05504	9.5
57.03429	31.2
57.07045	0.9
58.06584	2.0
66.51122	0.6
67.05494	4.5
67.29224	0.6
69.07062	8.3
69.20217	2.5
69.20616	1.1
71.04958	0.9
79.05489	6.6
81.07043	9.4
83.08615	5.0
91.05461	8.7
93.07034	5.9
95.04951	1.4
95.08556	4.0
97.06532	9.4
99.08078	100.0
100.08413	2.1
105.04517	0.9
105.07010	8.9
107.04899	0.7
107.08547	3.3
109.06516	1.2
109.10178	1.0
117.07029	2.2
119.08559	7.8
121.06519	0.8
121.10138	2.8
123.08045	0.8
125.06020	0.7
129.06982	2.4
131.08592	3.6
133.10126	5.7
135.04480	0.6
135.08061	1.0
135.11656	1.9
143.07002	0.8
143.08546	1.6
145.10126	3.7
147.11658	3.8
149.09583	1.8
151.03915	1.5
152.53754	0.7
157.10115	2.4
159.11693	1.7
161.13254	0.8
162.42592	0.7
163.11151	0.9
171.11710	2.0
173.13127	0.7
185.13260	1.2
187.14781	1.1
189.16359	1.3
190.05843	0.8
201.16367	2.3
211.14784	0.8
213.16331	2.9
229.15881	1.2
231.17429	3.0
247.16931	2.1
249.18387	1.4
316.53714	0.7
347.22812	1.3
347.33527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11064	4.1
52.67976	4.7
53.03937	8.6
53.48912	3.6
55.01865	16.8
55.05252	7.0
55.05508	100.0
57.07050	6.3
58.06586	11.8
60.40874	4.4
62.46022	3.9
67.05499	14.1
69.07059	54.1
71.08607	7.3
76.88309	4.1
79.05482	12.1
81.07049	23.8
83.08617	49.5
88.11270	12.8
89.11590	3.9
91.05482	14.6
93.07034	13.4
95.04954	8.5
95.08607	12.4
97.06532	45.5
105.07014	12.1
107.04948	14.4
107.08601	11.5
109.06495	9.6
109.62826	4.3
117.06965	9.5
117.94583	4.4
119.08558	9.2
121.10134	8.3
123.08109	4.8
131.08559	17.1
133.10133	6.6
133.82071	3.9
135.08031	16.1
137.09596	4.0
145.10104	6.7
149.09610	43.8
151.09689	4.7
151.11195	13.8
163.11142	5.1
177.09206	9.8
212.92464	4.4
219.17336	4.7
229.15912	7.6
247.16853	14.0
265.18094	8.5
338.16779	4.1
347.31094	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	348.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35283	0.3
53.03919	0.3
58.06573	0.2
65.03935	2.0
67.05498	3.4
69.67964	1.1
74.56586	0.2
77.03912	1.0
78.90060	0.2
79.05479	0.3
93.03411	0.6
95.04950	3.5
105.04501	0.7
108.02072	3.8
111.04448	2.2
121.03993	0.9
123.04424	0.5
126.03146	0.5
136.01529	2.4
137.02313	0.7
138.05502	1.3
143.45235	0.3
151.03879	100.0
152.04222	2.3
154.02563	3.1
166.04977	10.6
166.06377	0.6
180.06514	1.1
192.02899	1.9
198.07616	0.6
215.76152	0.3
301.05862	0.6
316.08096	21.3
317.08493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03162	0.3
65.03932	1.6
67.05503	0.9
68.54889	0.2
70.64090	0.4
70.64424	0.2
76.28073	0.2
95.04953	16.5
95.31976	0.2
97.17372	0.2
108.02085	1.4
110.03646	1.2
111.04424	1.3
121.03934	0.2
123.04414	7.2
129.65598	0.3
136.03934	0.4
138.05479	6.9
141.05453	4.1
143.78714	0.2
151.03880	100.0
152.04221	2.5
166.04970	50.2
167.05310	1.6
174.20712	0.2
192.02852	1.3
198.07578	7.1
199.07927	0.4
216.10771	0.2
256.06027	0.4
284.05432	0.7
301.05432	0.2
316.08096	23.7
317.08463	1.4
337.11087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01865	1.8
56.05022	2.4
57.03422	4.6
58.06593	48.9
59.03722	1.7
60.04513	4.4
61.02924	7.2
69.03418	14.0
69.36407	1.4
69.90656	2.5
69.90981	1.9
70.06571	4.0
71.04952	1.4
71.11572	1.6
71.39603	1.5
73.02917	3.5
74.06080	2.6
77.37212	1.4
81.03409	5.2
81.07051	1.7
84.04494	5.8
85.02892	69.2
86.09689	10.4
88.04004	1.5
90.03436	3.5
91.03962	3.3
91.05471	11.8
93.07064	1.6
95.04913	1.5
97.02880	19.4
98.06004	2.0
98.23370	2.1
98.97572	4.5
99.04427	2.8
102.05504	1.8
103.03912	2.2
103.20299	1.5
105.07063	2.3
109.02863	6.4
112.03962	2.1
116.01289	1.5
117.93949	1.5
119.04926	16.5
123.04413	57.7
124.04750	3.0
126.01051	74.4
126.05458	7.2
127.01869	11.1
127.03893	18.7
128.02632	3.5
130.06526	3.0
132.10185	4.7
134.99629	2.3
136.06151	3.2
140.02605	5.5
143.03677	12.4
143.05692	2.4
144.06548	6.5
145.04930	27.9
151.03844	3.6
151.07521	20.2
155.03694	3.7
163.06021	3.6
165.70554	1.4
167.03670	1.9
168.02100	3.5
169.01607	6.4
169.04906	18.4
171.07600	2.1
175.02817	1.5
180.08699	5.1
183.07951	1.4
185.04707	12.1
186.04243	17.5
186.07555	1.5
187.09383	4.4
189.08691	9.0
193.37514	1.6
217.03816	1.5
217.08240	3.7
228.05302	5.2
235.04831	2.0
269.06839	8.8
287.07855	19.7
305.08896	11.6
330.20569	14.8
347.20428	3.5
348.09750	3.2
348.14154	11.7
348.17255	7.1
348.21500	100.0
348.25351	4.9
349.14621	84.9
349.21613	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	348.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83754	0.9
54.59510	0.9
54.95212	1.0
57.03437	1.4
58.06596	17.9
59.06237	0.8
59.37520	0.8
59.38441	1.0
61.02924	3.1
69.03432	6.6
70.03784	2.2
70.06607	1.0
73.02912	1.4
81.03407	2.0
85.02903	19.9
86.09708	3.1
87.62782	0.9
90.84918	0.9
91.03970	1.2
91.05470	16.3
91.05982	1.5
95.04965	4.7
97.02892	5.0
98.22727	1.1
105.07058	1.7
109.02875	1.0
119.04925	13.5
127.03910	3.6
136.05177	1.8
137.05995	2.0
145.04944	3.8
151.03853	2.2
151.07527	100.0
152.07896	3.5
163.06059	1.1
169.08626	4.4
177.05455	1.3
186.11136	1.6
192.93677	0.8
197.70389	1.0
207.08189	1.1
222.10461	1.1
229.08424	1.2
239.07092	1.1
241.08537	1.2
256.07544	1.5
257.07919	1.3
267.06329	1.0
271.06165	1.3
285.07489	5.9
298.95169	1.0
303.08704	4.2
317.13669	1.2
330.20386	4.6
348.13879	6.8
348.17590	3.3
348.21548	25.2
348.25388	8.7
349.14001	1.3
349.21716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2165
Annotation	Consabatine
Peak:m/z	Relative Intensity
55.05488	0.3
56.05013	0.5
56.96557	1.9
57.03416	0.3
58.06594	9.4
59.19511	0.2
61.02924	0.3
67.05480	0.5
68.32617	0.2
69.03418	0.5
69.07082	0.3
69.23119	1.2
70.06570	1.2
72.08138	0.6
73.02917	0.3
79.05474	0.5
81.03402	0.3
81.07045	0.7
82.03589	0.3
82.06577	0.6
84.08158	0.3
84.96021	2.4
85.02891	1.6
86.09692	0.7
87.10022	0.3
91.05463	1.1
93.07041	0.7
95.04951	0.5
95.08588	0.7
98.97570	10.6
102.97002	0.3
105.07027	1.1
107.08574	0.7
108.08099	0.3
109.06516	0.4
110.97568	1.8
116.98604	7.2
117.07028	0.5
119.04910	0.2
119.08543	0.5
121.10104	0.5
123.04441	1.9
126.01048	2.2
126.97054	0.6
127.01913	0.3
127.03893	0.5
128.98604	2.6
129.06981	0.5
131.08566	1.1
133.06488	0.5
133.10121	0.3
134.99663	2.5
135.08011	0.3
136.06184	0.7
141.06937	0.4
142.07608	0.3
143.08539	0.8
144.98074	2.0
145.04922	0.4
145.10089	0.7
145.98808	0.3
146.99629	1.8
147.07954	0.3
147.11661	0.4
151.03888	1.1
151.07494	0.6
153.61777	0.3
155.08502	0.8
157.10120	0.7
158.99669	2.2
159.11659	0.4
162.99130	1.3
167.08525	0.4
169.04944	1.3
169.10098	1.2
170.04921	0.7
170.99701	0.3
171.11679	0.4
174.04457	0.4
177.00687	3.6
179.08554	0.5
181.10109	0.8
183.11641	0.8
185.04698	0.3
185.13393	0.4
186.04295	0.5
186.99144	1.7
188.05951	1.4
189.00694	0.7
193.10173	0.6
195.11649	0.6
197.13345	0.5
199.11163	0.3
200.14349	0.8
205.00160	4.0
207.11777	0.3
209.13161	0.5
211.11230	0.5
216.05386	1.2
219.01773	0.3
221.13193	0.5
223.14775	0.8
235.14789	0.5
237.02774	0.4
265.15823	0.6
283.16840	0.3
285.07498	0.7
287.07831	0.6
288.12366	0.3
294.18396	0.4
300.19516	5.3
300.22821	0.4
302.20865	0.4
306.08533	0.6
306.14716	0.3
312.19452	0.9
330.20578	51.9
331.20950	3.4
348.09775	2.2
348.14377	2.9
348.21603	100.0
348.25171	5.4
349.09790	0.3
349.15210	1.3
349.21970	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	348.253
Annotation	Dictysine
Peak:m/z	Relative Intensity
52.33628	0.2
54.04053	0.2
56.05017	0.6
58.06595	5.9
59.42842	0.2
66.61951	0.3
67.05477	0.3
69.03418	0.2
69.17735	1.2
72.08147	1.0
79.05490	0.9
81.07049	0.7
84.08139	0.5
85.02897	1.5
91.05470	1.3
93.07037	0.9
95.04952	0.3
95.08580	0.7
97.02876	0.7
98.09695	1.6
103.04011	0.3
105.07000	1.1
107.08571	0.3
109.10129	0.3
110.09683	1.2
117.07001	0.5
119.04919	0.8
119.08567	0.7
121.06493	0.6
121.10096	0.2
122.09679	0.5
124.11214	1.4
127.03910	0.4
129.06973	0.5
131.08551	1.0
133.10132	0.8
135.11649	0.4
143.08537	0.4
145.10106	1.0
151.07529	7.3
157.10118	0.6
159.11646	0.5
165.09082	0.2
169.08627	0.4
169.10118	0.6
171.11668	0.5
181.10043	0.3
183.11665	0.5
187.11049	0.3
190.08603	0.5
191.08904	0.5
195.11649	0.4
196.94777	0.3
211.14798	0.5
229.15816	0.4
235.14485	0.2
302.21069	0.5
303.08530	0.3
312.19693	0.4
312.23120	2.1
325.25690	0.3
330.16183	0.3
330.20682	1.3
330.24213	23.4
331.24664	1.7
348.21771	4.5
348.25278	100.0
349.08926	0.5
349.13019	0.3
349.25635	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	348.2529
Annotation	CAY10590
Peak:m/z	Relative Intensity
51.33760	0.1
55.01862	0.1
57.03404	0.1
58.06589	0.9
60.04501	0.3
67.05497	0.2
69.03424	0.2
70.06568	0.1
71.04991	0.1
74.62283	0.1
77.08624	0.1
79.05462	0.2
81.03397	0.4
81.07038	0.3
84.08140	0.4
84.65193	0.1
85.02885	0.7
87.46471	0.1
91.05474	0.2
93.07030	0.3
95.08592	0.3
96.08130	0.2
97.02917	0.1
99.04443	0.3
103.03939	0.6
105.07020	0.6
107.08572	0.3
108.08080	0.1
109.02862	0.3
109.10146	0.2
117.06988	0.3
119.08558	0.3
123.11616	0.1
127.03894	1.2
129.06981	0.1
131.08560	0.4
133.10088	0.2
135.11696	0.2
141.06946	0.1
143.08592	0.4
145.05000	0.1
145.10086	0.4
147.11674	0.1
151.03871	0.1
155.08527	0.3
157.10115	0.3
159.11671	0.1
164.14366	0.1
167.08476	0.1
167.45448	0.1
169.10114	0.1
171.11641	0.3
173.13261	0.1
174.05513	0.1
177.05463	0.1
179.08624	0.1
181.10066	0.2
183.11661	0.1
185.13187	0.2
187.05989	0.1
193.10129	0.1
195.11652	0.3
197.13277	0.1
199.03627	0.1
207.11684	0.1
209.13235	0.2
211.14807	0.1
223.14731	0.1
225.16446	0.1
241.19151	0.1
249.47954	0.1
251.17885	0.4
269.19147	0.4
284.19894	0.1
287.20026	0.5
288.19598	0.1
302.21051	1.1
303.21426	0.1
312.23141	1.5
313.23444	0.2
330.24188	5.8
331.20767	0.1
331.24408	0.5
336.87674	0.1
348.25259	100.0
349.25607	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	348.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.3
56.04974	0.7
56.05234	0.3
58.06543	6.0
61.74357	0.2
67.05435	0.7
69.03387	0.3
69.07017	0.2
70.06535	0.7
70.72000	0.3
71.04957	0.3
72.08141	1.1
79.05483	1.2
80.04974	0.2
81.03369	0.4
81.06995	0.6
82.06545	0.3
84.08074	0.6
85.02894	1.6
86.09657	0.2
91.05457	1.9
93.07040	1.6
93.35995	0.2
93.90321	0.2
95.04903	0.7
95.08535	0.8
95.78549	0.2
96.08069	0.3
97.02809	0.5
98.09676	1.9
103.03893	0.3
105.07008	1.8
107.08501	0.5
108.07979	0.2
109.02834	0.2
109.06440	0.4
109.10084	0.4
110.09660	1.2
111.04369	0.2
117.06954	0.5
119.04943	0.9
119.08498	0.8
121.06511	1.0
122.09641	0.4
123.04401	0.2
123.08012	0.2
124.11203	1.0
126.12673	0.3
127.03845	0.6
129.06956	0.4
131.08484	0.9
133.06404	0.2
133.10051	0.8
135.11600	0.3
137.05910	0.2
139.07426	0.5
141.06917	0.4
143.08545	0.9
145.04861	0.3
145.10040	0.7
147.11610	0.3
151.03815	0.3
151.07512	6.4
152.07881	0.2
155.08467	0.9
157.10063	0.7
159.11642	0.6
161.09607	0.3
167.08485	0.3
169.08517	0.6
169.10016	0.7
171.11626	0.7
173.13249	0.2
181.10025	0.6
183.11589	0.7
185.13177	0.3
187.11024	0.2
187.14749	0.3
190.08441	0.2
191.08870	0.3
192.09207	0.3
193.09982	0.3
195.11615	0.4
197.13208	0.3
207.11583	0.4
211.14806	0.4
223.14716	0.4
225.16377	0.2
229.15715	0.3
235.14720	0.4
251.17912	0.3
252.17484	0.4
267.17365	0.4
284.19769	0.3
285.07510	0.7
287.08731	0.3
298.17984	0.7
302.20996	0.9
303.08508	0.4
312.19482	0.8
312.23154	2.6
313.23441	0.4
330.16351	0.2
330.20416	1.4
330.24185	25.8
331.24591	1.9
348.21509	17.7
348.25269	100.0
349.09012	1.1
349.21790	1.5
349.25613	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	348.2741
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.05503	3.3
56.05025	3.9
57.03425	1.0
57.07075	0.8
58.06593	1.4
60.04519	100.0
64.52058	0.6
67.05495	12.6
68.05003	0.6
68.52900	0.6
69.07056	2.8
70.06587	1.2
72.04520	2.2
74.06084	2.1
79.05479	7.7
80.05009	1.6
81.07049	10.9
82.06572	2.4
83.04914	0.9
84.08139	0.8
85.06542	0.8
86.06069	1.3
91.05473	7.0
93.07030	7.3
94.06591	1.7
95.04971	2.4
95.08591	8.5
96.08084	1.0
99.08064	0.9
105.07018	4.5
107.08588	4.6
108.08131	0.9
109.06430	0.7
109.10148	3.6
110.09720	0.7
112.07640	1.6
117.07008	1.1
119.08553	3.5
120.08107	1.1
121.10136	3.9
122.09696	1.1
129.06993	0.8
131.08578	2.0
133.10149	2.8
135.11674	2.7
143.08470	0.9
144.04567	0.7
145.10124	0.8
147.11679	2.0
149.13356	0.8
151.03979	0.8
159.11690	1.3
161.13252	2.1
173.13266	1.4
185.13354	1.0
217.19527	0.8
241.19464	0.7
258.22208	1.0
276.23221	3.4
294.24280	6.8
300.14038	0.6
312.25320	9.7
330.26358	25.8
331.26593	2.2
348.27417	54.8
349.27786	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	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	23.2
55.84605	6.4
57.03420	14.7
58.06585	30.2
67.05497	100.0
69.07066	18.8
73.40598	7.0
77.32124	7.1
79.05065	6.9
79.05487	32.8
79.08360	6.5
80.06166	6.5
81.07047	53.4
83.08604	17.9
85.06502	10.1
89.16789	7.8
91.05454	30.3
93.07025	34.3
95.04964	16.0
95.08595	30.7
97.06493	10.7
97.10139	13.7
105.07013	31.3
107.08572	28.7
109.06489	9.0
109.10154	68.4
119.08546	23.1
121.10139	17.5
125.09607	11.6
131.08542	24.3
133.10042	12.9
137.09511	6.4
145.10103	16.4
147.11693	17.1
149.13185	9.7
151.03873	34.1
155.10634	18.8
159.11685	11.5
165.05481	20.2
166.04829	15.9
169.03664	8.5
173.11717	97.8
173.13106	12.4
177.52731	8.5
181.09903	7.0
189.11272	15.8
195.13704	12.8
216.91153	6.8
257.18884	13.9
260.05469	7.4
268.28030	6.5
275.20001	23.9
277.21509	20.7
295.22800	12.8
316.04593	9.3
316.08154	25.9
348.18597	26.7
348.25256	12.6
349.19730	52.8
349.23743	33.9
358.40573	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	349.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.8
62.11010	0.4
69.79034	0.7
69.79359	0.6
88.76826	0.3
98.22682	0.5
98.97600	0.3
106.60845	0.4
121.17851	0.3
136.06084	0.3
144.23184	0.4
151.07558	0.4
187.07881	0.6
187.09398	6.9
337.66559	0.4
344.23541	0.4
348.21536	1.1
349.14627	100.0
349.21805	3.4
350.14862	3.4
350.23132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
57.03426	2.7
60.04543	0.9
61.02914	1.3
67.05497	0.8
69.03059	1.1
69.03422	15.7
69.23850	2.3
69.24251	1.7
71.04979	5.6
81.03408	28.2
81.03894	1.3
82.03720	0.7
83.05003	0.8
84.04587	0.6
85.02893	61.4
86.03236	1.2
93.07025	1.1
97.02882	4.6
99.03796	1.6
99.04444	33.3
103.03925	61.1
104.04257	1.2
109.02100	0.8
109.02290	0.5
109.02863	25.4
127.03898	100.0
128.04253	1.4
133.10374	0.8
145.04944	10.9
177.09230	0.8
184.43141	0.8
187.06026	7.2
202.73616	0.9
234.74547	0.8
253.07030	3.2
271.08066	2.5
348.25235	3.7
349.14307	1.5
349.21646	3.1
349.25705	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	349.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01875	7.4
55.05507	17.3
56.96566	6.9
57.03439	14.5
58.06584	3.7
65.03929	2.3
67.05496	39.2
69.03431	1.9
69.07053	20.2
71.04984	3.2
79.05482	55.7
81.03416	3.3
81.07047	100.0
83.04975	5.3
83.08611	8.2
91.05470	35.3
92.05833	2.2
92.09581	2.5
93.07034	32.3
95.04948	11.8
95.08595	24.7
97.06521	8.7
98.23498	5.3
99.08076	3.2
105.07008	42.6
107.04948	6.0
107.08585	24.1
109.06506	37.6
109.10136	10.9
111.08038	2.7
117.02678	1.9
117.07020	13.0
119.08572	30.1
121.06466	4.6
121.10107	13.7
123.08061	6.5
123.11697	4.8
125.09669	4.1
126.25951	1.8
129.07011	4.2
131.08554	22.0
133.10110	30.6
135.08052	7.1
135.11641	5.3
137.09648	3.9
143.08568	3.4
144.09299	2.6
145.10095	20.3
147.08157	2.5
147.11620	13.4
149.09639	7.5
149.13298	6.7
155.08531	2.7
157.10184	3.1
159.11644	13.6
161.13261	5.0
163.11246	5.1
163.14832	2.9
165.12761	2.6
171.03294	4.1
171.11711	4.7
173.13258	9.0
175.11159	3.0
177.12784	2.0
179.14407	2.2
183.11786	3.2
197.13223	4.0
219.17400	3.6
229.19568	6.1
230.71176	2.2
233.86339	2.0
239.18027	3.3
243.08897	4.4
243.31567	2.2
247.20572	7.7
253.11179	2.2
255.08949	2.6
257.19000	15.8
260.86942	2.1
261.10129	2.5
273.09955	2.2
275.20053	44.3
298.89304	2.2
331.15750	24.9
349.16495	37.7
349.20413	6.7
349.23489	42.4
350.17291	3.9
367.17813	6.7
368.11951	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	6.4
51.12094	7.5
53.03940	10.0
55.05505	33.3
56.96555	58.4
57.03426	29.7
57.07074	8.6
58.06593	10.8
58.54660	6.1
67.05496	73.3
68.01987	6.3
69.07056	47.0
71.43673	6.1
77.67220	6.3
79.05476	57.6
81.07043	100.0
83.04961	14.9
83.08607	20.5
91.05460	44.9
93.07025	80.8
95.04945	37.2
95.08591	52.2
97.06508	19.2
98.36288	7.7
105.07002	45.1
107.04942	15.9
107.08564	52.1
109.06525	29.7
109.10153	14.3
117.07033	13.1
119.08575	36.2
121.06493	17.7
121.10152	33.2
123.04455	9.5
123.08047	10.1
123.11696	15.4
129.06943	9.0
131.08559	41.8
133.10109	42.2
135.11635	17.4
137.02667	8.4
145.10117	23.6
147.11662	24.6
149.09558	12.6
149.13298	12.0
151.03873	49.7
151.11143	12.2
152.04227	50.7
157.10201	9.5
159.11633	14.2
163.11153	21.0
166.04977	24.5
167.05363	17.5
171.03233	9.0
173.13211	9.4
185.04803	9.2
188.47205	6.8
199.06276	9.3
203.05922	14.9
211.06332	8.1
213.07928	15.3
214.11746	10.6
217.07445	10.0
227.09387	10.3
239.09505	8.1
239.17793	8.2
245.10672	8.4
255.09016	24.9
257.18988	23.8
267.08987	30.5
269.10440	51.5
273.10010	9.6
275.20001	88.6
276.20291	10.4
285.10150	40.2
317.08319	24.0
349.17084	25.0
349.20422	10.1
349.23798	38.9
350.17004	7.9
355.60999	7.7
367.17673	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	349.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.01873	14.4
55.05499	26.5
56.96555	36.6
57.03429	16.2
57.07068	6.3
67.05493	57.7
69.07058	38.3
70.05280	13.5
74.52602	6.2
79.05486	55.7
81.07052	83.3
83.04971	11.6
83.08634	6.7
91.05462	49.9
93.07031	45.8
95.04958	23.8
95.08595	44.4
97.06517	8.2
103.80428	5.8
105.07020	39.6
107.04938	9.2
107.08578	37.6
109.06493	19.0
109.10135	18.8
117.06982	18.5
119.08562	22.7
121.06520	14.6
121.10146	13.6
131.08565	24.7
133.10136	21.9
135.08035	9.2
135.11655	7.6
145.10114	24.9
147.11659	23.9
149.09679	6.6
151.03899	33.4
152.04247	28.2
159.11684	12.7
161.13197	7.7
163.11124	13.8
166.04959	17.1
167.05301	12.3
173.13269	6.2
183.11685	9.0
189.04468	7.0
197.13385	6.6
214.01064	6.2
214.11761	6.9
217.07518	6.3
255.08815	11.9
257.19019	13.8
267.09012	17.8
269.10574	24.6
273.10193	9.0
275.19989	100.0
285.10013	24.5
287.11514	6.6
349.17001	19.7
349.23459	32.5
367.17874	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03723	8.9
55.05514	45.1
56.38849	10.4
56.96558	69.9
57.03433	23.3
58.06599	21.2
67.05499	62.0
69.07060	32.4
70.51350	22.4
75.88886	9.8
76.71329	9.1
79.05489	74.5
81.07036	72.8
83.08619	19.8
91.05487	44.0
93.07045	39.4
95.04965	30.7
95.08586	43.3
97.06479	11.3
104.83366	9.0
105.06993	62.1
107.04939	16.2
107.08602	46.8
109.06534	27.1
109.10139	16.9
119.08579	36.6
121.06508	17.8
121.10148	32.1
122.83019	10.2
123.08041	16.0
127.37263	8.1
131.08551	25.2
133.10210	29.7
135.11658	13.2
137.45450	10.3
145.10136	32.0
147.11673	25.4
149.09618	14.1
151.03922	32.6
152.04236	36.7
155.08606	12.3
159.11694	12.4
163.11183	19.7
166.04987	21.1
167.05350	19.8
171.11900	16.7
173.13277	14.9
193.12309	10.6
199.06419	10.8
213.07951	10.4
223.09590	8.8
225.07933	12.3
231.09097	21.6
240.98138	8.5
251.09573	16.5
255.08907	14.4
257.18906	22.5
260.31268	9.1
266.93164	9.5
267.08978	29.7
269.10565	87.9
275.20013	100.0
285.10123	39.9
287.11603	27.4
299.13861	10.6
317.08398	26.9
317.36652	9.6
331.22876	10.1
348.33752	11.2
349.13086	13.0
349.19662	36.6
349.23767	51.1
357.11441	8.5
367.18347	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	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05499	4.2
57.03421	2.9
58.06583	1.2
67.05492	7.3
69.07061	3.4
69.62822	1.9
71.04980	0.8
79.05481	7.6
81.06609	1.0
81.07049	9.2
83.08620	1.5
91.05473	9.6
93.07042	7.7
95.04945	2.6
95.08622	4.5
97.06529	1.2
97.86804	0.8
100.85096	0.7
105.07003	11.1
107.04916	1.3
107.08580	8.1
109.06482	1.8
109.10123	2.0
111.08039	1.0
117.07032	2.5
119.08566	5.7
121.06479	0.7
121.10121	2.4
129.07021	1.3
131.08548	5.2
133.10107	6.7
135.08028	0.9
135.11702	1.2
137.02299	0.9
143.08556	1.6
145.10124	7.3
147.11665	4.7
149.09584	2.0
151.03966	0.9
155.08469	0.8
157.10043	1.0
159.11682	3.4
161.13206	1.8
171.11755	1.6
173.13277	1.2
175.11121	1.0
176.23523	0.8
180.06528	1.0
181.06827	1.4
183.11607	1.0
197.13324	1.2
201.16231	0.7
211.14813	0.7
229.19516	1.0
239.17960	1.4
257.18954	4.9
275.20056	9.6
279.11902	1.1
317.08463	1.4
349.19821	100.0
349.23682	9.8
350.20276	4.3
350.23956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.0
57.03418	1.5
57.07067	1.7
58.06587	1.6
67.05477	3.6
69.07043	2.2
71.04966	0.8
79.05481	2.6
81.07051	5.0
91.05476	3.4
93.07023	3.4
95.04961	2.7
95.08588	2.7
105.07024	2.5
107.08571	3.5
109.06498	1.5
109.10194	1.2
111.08096	0.7
117.07005	1.1
119.08556	0.9
121.10111	1.9
123.08003	1.1
133.10086	1.8
139.11229	0.9
145.10117	1.7
147.11708	1.3
159.11697	1.0
163.11192	1.1
196.09097	0.7
228.90326	0.9
235.12973	0.9
249.12062	0.8
249.14510	1.1
275.20099	4.6
349.23441	100.0
350.23727	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	349.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72304	0.8
55.05497	1.1
55.89785	0.8
56.26730	0.8
57.03426	1.0
57.07055	1.3
58.06583	2.5
67.05504	3.7
69.07040	1.4
71.08585	1.1
79.05470	2.7
81.07048	4.6
83.04964	0.8
83.08607	1.7
89.06017	1.0
91.05450	3.1
93.07018	3.0
95.04937	2.2
95.08570	2.1
105.07014	3.7
107.04933	1.7
107.08561	2.8
109.06516	1.4
109.10102	1.0
117.06988	1.4
118.39150	0.7
119.08551	1.4
121.10123	1.5
123.08004	1.2
123.11646	0.7
131.08531	1.5
133.10121	1.6
145.10086	1.6
147.11678	1.7
173.13255	1.0
196.95267	0.7
212.51692	0.7
237.16678	0.8
257.18881	0.8
275.20023	3.5
349.23431	100.0
350.23849	6.9
350.27728	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2368
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
51.02378	2.0
53.03937	16.8
55.01864	15.9
55.05252	2.3
55.05505	32.3
57.03430	20.8
59.23514	1.6
65.03922	4.7
67.05495	71.1
69.03410	3.2
69.07057	54.6
71.04994	3.0
71.20685	2.0
74.54377	1.4
77.03901	1.8
79.05479	61.1
80.05811	1.5
81.03409	26.6
81.07045	100.0
83.04979	10.9
83.08608	14.1
85.06543	3.5
91.05468	64.8
92.05781	1.6
93.07032	55.1
93.41055	1.5
95.01308	18.3
95.04952	25.1
95.08593	56.9
97.06519	21.9
97.10167	4.2
98.06864	1.9
99.08083	2.2
103.05485	2.2
105.04505	3.4
105.07011	83.2
106.07332	3.3
107.04942	43.6
107.08573	29.2
109.06505	22.7
109.10133	11.7
111.08070	3.5
113.09629	2.4
115.05440	2.1
117.07001	23.3
119.08562	45.0
119.95638	1.7
121.06506	7.9
121.10120	12.8
123.04416	5.2
123.08051	10.7
123.11695	4.0
129.06985	4.2
131.04930	1.5
131.08548	27.7
133.06508	2.9
133.10114	50.9
134.10439	1.7
135.08015	8.1
135.11673	12.6
137.09612	4.8
139.07526	2.1
141.06940	4.0
143.08539	5.3
145.06468	6.6
145.10094	23.3
147.08018	3.1
147.11659	21.1
149.09547	10.3
149.13228	8.0
151.11221	4.8
152.04265	1.6
155.08492	2.3
157.10132	4.4
159.11681	17.6
161.13174	8.1
163.11215	8.0
165.09131	3.2
169.10066	3.4
171.11743	4.2
173.09576	2.0
173.13216	6.0
177.12698	9.8
179.14290	22.5
179.56673	1.5
183.11673	3.3
187.11142	6.8
195.13853	1.7
197.13266	2.6
201.12772	1.6
205.12132	2.1
215.17902	1.6
223.13324	1.6
229.19572	2.5
239.17932	2.9
247.20482	3.4
257.18964	6.9
275.20001	57.6
276.20374	2.4
293.21179	1.9
304.97559	1.4
349.19437	3.2
349.23633	36.2
350.24033	1.8
368.93448	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03930	1.4
55.01867	5.6
55.05504	15.7
56.05810	0.5
57.03430	17.5
57.07072	3.1
59.04991	0.5
65.03928	1.9
65.44566	0.4
67.05493	32.0
68.05801	0.5
69.03405	2.1
69.07055	18.4
71.04980	2.4
71.45469	0.7
77.03915	1.1
79.05479	26.6
80.05824	0.5
81.03427	1.1
81.07044	38.8
83.04968	9.1
83.08610	5.2
85.06537	1.2
90.48588	0.5
91.05466	28.5
92.05784	1.0
93.07031	34.5
94.07323	1.1
95.04956	10.9
95.08592	23.7
96.08923	0.7
97.06516	5.5
97.10166	3.1
99.08099	0.7
103.05460	0.7
105.04468	1.6
105.07012	30.3
106.07323	0.7
107.04939	10.1
107.08576	21.9
109.05750	0.7
109.06503	13.7
109.10139	10.6
110.06834	0.5
111.08059	2.3
115.05430	0.7
116.06213	0.9
116.91890	0.5
117.06189	0.5
117.07007	10.7
119.07728	1.1
119.08568	17.1
120.08942	0.8
120.78732	0.5
121.06486	15.3
121.10129	10.5
123.08060	6.3
123.11669	3.2
125.09600	1.5
128.06194	0.6
129.07001	2.9
130.07756	0.7
131.08548	21.0
132.08922	0.5
133.06496	3.9
133.10112	21.6
134.10434	0.7
135.08025	6.1
135.11674	6.7
137.06009	0.5
137.09584	2.9
139.11179	0.5
141.06989	1.2
143.08521	3.4
145.06442	2.5
145.10101	16.1
147.08014	3.4
147.11662	12.8
148.11964	0.7
149.09590	7.5
149.13231	3.8
151.11142	6.0
155.08511	2.2
157.10092	4.5
159.08037	3.0
159.11658	9.4
161.09563	3.5
161.13257	4.2
161.99077	0.5
163.11166	7.6
163.14842	1.5
165.09135	0.6
165.12744	1.3
169.10143	2.3
171.11693	3.4
173.09610	3.5
173.13211	6.9
175.11186	3.1
175.14803	0.9
177.12691	3.1
179.14328	1.0
183.11674	3.4
185.13213	1.7
187.11140	3.0
187.14783	1.6
189.12711	1.2
191.14262	4.0
197.13243	2.0
199.14778	1.5
201.12732	3.6
205.19426	1.1
207.13776	4.3
213.16351	1.1
215.14273	1.8
215.17873	3.2
217.15753	0.7
219.13823	4.5
219.17128	0.5
229.19481	3.1
231.17386	1.9
233.15352	1.1
233.18939	1.3
237.14781	0.6
239.17928	4.7
247.20535	5.5
254.95587	0.6
257.18954	18.5
258.19385	0.9
275.20016	100.0
276.20392	5.1
285.00244	0.6
293.21103	7.2
331.22449	0.6
349.19794	2.8
349.23672	29.2
350.23969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Isoramanone
Peak:m/z	Relative Intensity
55.05503	3.7
63.00564	2.6
67.05492	9.7
69.07063	4.7
70.07433	2.7
71.48473	3.2
79.05475	13.3
81.07046	12.3
82.89618	2.7
83.08599	2.8
84.22861	2.6
85.06529	2.7
90.48985	2.6
90.81459	2.5
90.84013	2.8
91.05470	16.8
93.07025	14.5
93.08892	2.5
95.04963	6.6
95.08572	21.1
97.06503	5.2
100.33660	2.3
105.07021	23.4
107.08572	12.7
109.10134	5.7
113.97235	2.8
117.06998	21.0
119.08572	9.2
120.75754	3.0
121.10126	7.6
123.08060	3.9
129.06999	9.2
131.08537	35.1
133.10149	6.8
135.08023	3.7
141.06911	3.4
143.08499	17.0
145.10106	27.4
147.11656	8.9
149.13107	3.1
155.08545	8.3
157.10075	23.7
159.11681	28.0
161.13387	3.3
169.10214	6.5
169.11707	2.5
171.11647	34.7
173.13245	4.9
183.11674	11.4
185.13231	11.1
187.14801	32.7
195.11656	5.0
197.13251	12.9
199.14818	11.7
201.12761	4.9
203.14331	3.9
211.14890	4.1
215.17953	3.1
223.14922	3.0
225.16267	16.0
234.84679	2.5
235.14636	3.3
239.14351	3.0
243.17345	5.2
253.15779	3.5
253.16925	3.8
253.19496	40.2
263.17975	6.1
271.20520	25.4
281.18994	23.3
299.19971	36.1
313.21558	100.0
314.21945	7.9
317.09930	35.1
331.22617	9.4
349.12680	8.6
350.29034	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	349.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42243	2.6
55.01873	3.3
55.05507	31.8
57.03434	5.9
57.07067	22.3
58.06572	4.5
65.03943	3.4
67.05497	51.1
69.03422	8.9
69.07059	34.7
71.04984	12.3
71.08627	9.8
79.05480	54.6
81.07046	75.2
83.04965	4.4
83.08604	17.4
84.11792	4.2
84.78492	3.2
85.10178	6.4
86.50464	3.1
89.01147	3.1
89.06020	27.6
91.05469	57.9
91.05980	2.6
93.07032	84.4
95.04959	43.4
95.08593	55.4
97.06529	10.8
103.05439	5.4
105.04530	4.1
105.07012	100.0
107.04942	10.9
107.08577	67.3
107.09246	5.4
109.06518	21.3
109.10141	50.5
109.45334	3.0
111.08065	5.0
117.06997	20.6
119.08569	93.7
119.09405	4.8
121.06477	13.1
121.09258	5.4
121.10128	92.6
122.10433	3.3
123.08054	11.3
123.11686	13.9
123.98003	3.2
128.06204	7.5
129.07008	15.9
130.07764	5.5
131.08551	55.5
133.06543	3.0
133.07716	3.0
133.08592	13.7
133.10097	65.4
133.11021	5.2
135.08064	17.0
135.11697	17.6
137.09645	5.1
141.06934	6.7
142.07776	11.4
143.08537	35.0
144.09291	9.7
145.10114	69.6
147.08038	10.3
147.11673	23.4
149.09592	14.2
149.13240	5.6
155.08560	10.9
156.09312	16.9
157.10088	49.2
158.10783	4.3
158.68190	3.4
159.08023	8.3
159.11647	32.6
161.09607	26.0
161.13223	10.5
163.11183	8.7
167.08583	4.5
169.10136	21.4
170.10837	3.9
171.11655	22.0
172.12390	3.8
173.09639	4.3
173.13245	24.9
175.11212	4.3
175.14801	14.8
179.08563	7.6
179.14288	6.3
181.10109	10.5
182.10840	7.7
183.11644	16.9
184.12297	4.2
185.13242	12.7
187.11093	5.1
187.14812	25.4
189.12772	6.2
193.10141	4.9
194.10864	6.9
195.11829	14.5
196.12488	4.1
197.13208	15.5
199.14810	12.8
200.15483	3.3
207.11610	6.5
209.13222	26.6
211.14767	11.6
213.16353	4.9
214.26613	3.1
215.14372	3.7
221.13205	4.1
223.14815	6.4
225.16321	7.4
227.14252	12.4
233.15302	7.3
235.14787	3.9
237.16367	7.3
239.17896	7.8
247.14925	3.5
251.17940	3.5
253.19475	7.4
265.19452	7.3
275.20132	28.9
293.19003	5.4
331.24075	11.2
349.24542	75.8
349.30017	6.6
350.24704	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.10984	0.4
55.01855	0.9
55.05505	5.6
57.03420	0.7
57.07072	1.9
59.04993	0.4
65.62560	0.3
66.27271	0.4
67.05493	6.5
68.33530	0.3
69.07058	12.1
69.09328	2.7
71.04970	1.4
71.08615	0.9
72.09674	0.3
73.06516	0.9
79.05474	3.9
81.07043	9.1
83.04962	0.9
83.08607	4.1
85.06526	0.8
91.05485	2.3
93.07023	5.3
95.04947	0.7
95.08594	8.7
97.06499	2.0
97.10152	1.6
99.08084	0.7
105.07017	3.3
107.08580	5.9
109.06501	10.9
109.10155	4.3
111.08082	1.9
111.11690	0.5
117.06975	0.8
119.08554	4.2
121.06503	0.6
121.10124	3.9
122.07284	0.8
123.08050	66.3
123.11668	1.7
124.08371	1.5
125.09637	0.7
126.24339	0.4
131.08551	0.9
133.10109	2.2
135.08040	4.1
135.11685	1.9
137.09612	3.7
145.10112	1.8
147.11697	1.9
149.09575	1.9
149.13213	2.4
151.11162	0.8
157.10187	0.5
159.11688	1.2
161.13229	1.4
163.11182	0.9
163.14836	0.4
164.34468	0.4
165.12759	0.7
167.14218	0.4
173.13228	0.7
173.38422	0.3
175.14798	0.5
177.12729	0.7
179.14287	9.6
233.18997	1.1
260.53772	0.4
272.50494	0.4
275.20010	2.2
281.21152	0.5
289.25192	1.3
293.21048	17.2
294.21509	0.9
303.26801	0.5
307.22653	1.0
331.26257	3.3
349.27319	100.0
350.27658	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	349.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05503	6.9
55.98674	0.7
57.03417	1.2
57.07068	40.5
58.06587	1.2
60.30937	0.7
67.05503	7.5
69.07065	5.7
69.37494	0.6
71.04985	1.4
71.08623	26.5
72.04474	0.7
73.06551	2.8
79.05479	5.8
81.07050	10.3
83.04950	1.7
83.08604	3.5
85.06548	0.7
85.10172	20.2
87.04468	1.4
89.06020	100.0
90.06341	1.4
91.05473	7.6
93.07031	9.3
95.04958	4.4
95.08578	9.2
97.06506	2.9
97.10182	2.4
97.44433	0.7
99.11741	2.8
105.07016	12.7
107.04924	1.0
107.07047	7.2
107.08580	8.4
109.06506	3.0
109.10145	4.6
111.08061	1.0
111.11702	0.9
117.07000	3.1
117.09160	0.8
119.08573	7.7
121.06484	1.5
121.10136	8.9
123.08062	3.8
123.11687	1.6
128.06218	0.8
128.94116	0.7
129.80208	0.8
130.08623	1.5
131.08545	6.6
132.36237	0.7
133.08586	30.3
133.10068	6.2
135.08029	2.1
135.11667	3.3
142.07733	1.3
143.08556	2.9
145.10072	5.9
146.07162	0.9
147.08144	0.7
147.11685	3.5
151.09619	4.6
155.08575	1.1
156.09346	0.9
157.10126	3.0
159.11674	2.2
161.09610	1.8
161.13290	1.2
169.10097	2.0
171.11717	2.5
173.13255	2.1
177.11221	5.9
179.14191	3.5
183.11783	1.1
185.13306	1.6
187.14870	1.8
194.10852	1.5
195.12274	19.1
196.12566	1.2
198.14862	1.3
199.14842	0.8
199.20567	1.0
203.58719	0.7
209.13223	1.2
239.17896	1.6
257.19006	1.0
275.20068	6.2
293.21011	1.2
349.23273	7.3
349.26419	1.4
349.30801	1.0
350.23871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
53.29612	3.7
55.05495	10.6
57.03430	4.8
58.06582	4.3
59.86787	3.7
67.05496	4.9
69.03397	4.6
69.07050	6.4
69.54658	12.7
71.04967	8.8
75.70528	3.3
79.05487	5.4
81.03387	7.5
81.07059	23.2
83.04962	5.9
83.08607	9.6
84.66206	3.8
85.02908	10.8
86.09689	4.4
91.05476	11.2
93.07032	43.0
95.04900	3.8
95.08604	29.6
97.02839	5.9
97.06518	24.4
98.22679	6.2
101.09658	6.8
107.08579	67.1
109.10139	31.7
110.10500	3.5
118.22519	3.2
123.11704	21.4
124.65091	3.9
135.11681	100.0
136.11983	5.4
145.04958	4.2
153.12744	48.7
171.13774	55.3
172.14050	4.5
175.03848	4.5
207.06516	9.4
224.18420	3.6
288.16034	3.8
305.88705	4.8
351.10623	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	350.2322
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
50.08337	0.3
51.94452	0.3
54.88408	0.3
56.05034	0.4
58.06580	0.8
61.02901	0.5
64.92542	0.3
67.05505	0.8
69.03394	0.7
70.06580	4.2
70.33698	0.4
71.01330	0.3
71.04982	0.7
76.65570	0.3
77.03940	0.3
79.05473	0.6
81.03387	0.4
81.07044	0.7
82.06551	1.0
84.08123	0.9
85.02880	0.7
91.05460	1.5
93.07038	1.7
94.06583	0.5
95.04936	0.6
95.08578	0.5
96.08126	2.7
97.02843	0.4
97.87803	0.3
98.09651	0.6
99.02672	0.4
105.07009	2.4
107.04949	0.7
107.08564	0.5
109.06528	0.4
117.06976	0.7
119.04901	0.6
119.08538	0.8
121.06478	0.5
123.04351	0.4
129.06973	0.8
131.08539	1.6
133.10118	1.3
135.07997	0.5
137.06001	0.8
139.04556	0.3
140.05266	0.5
141.06914	0.4
142.28239	0.3
143.08572	2.0
145.10054	1.5
151.07465	0.4
155.08513	0.9
157.10144	0.8
159.11682	0.7
162.12668	0.4
167.08575	0.3
169.10068	0.9
170.06322	4.4
171.11662	0.7
173.13245	0.5
179.08531	0.5
181.10101	0.9
183.11679	0.9
185.09358	0.4
188.07304	1.4
193.10135	0.3
195.11676	0.9
197.13245	1.0
199.14809	0.8
207.06532	0.7
209.13260	0.9
211.14830	0.4
221.13136	0.4
225.16493	0.7
227.14262	1.2
235.14772	1.3
237.16362	0.5
247.14584	0.7
253.15854	1.0
259.16919	0.6
265.15805	0.5
270.11221	2.0
271.16873	0.4
282.18433	2.1
285.18277	0.4
297.18420	0.5
300.19537	3.7
301.19833	0.5
314.21115	3.4
332.22134	32.7
333.22525	2.7
350.23184	100.0
351.10706	0.5
351.23523	7.3
359.91092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63496	5.3
69.73119	15.5
69.73462	5.6
96.31830	4.5
98.23400	6.3
130.64923	5.1
139.48808	5.1
351.06787	100.0
351.12625	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92209	3.0
56.96568	9.4
58.06598	4.6
69.46732	12.7
83.45721	3.2
98.97584	13.3
116.98630	5.7
128.98515	4.0
130.45091	3.0
158.99805	4.3
166.10835	3.1
170.99669	3.4
177.00780	3.1
201.00740	4.6
219.01691	4.0
237.02713	4.2
264.90472	3.5
351.06866	100.0
351.12515	36.0
357.15189	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	351.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96282	1.0
56.96557	16.7
64.17887	0.7
65.16325	0.7
66.48923	0.8
70.99618	0.7
84.09115	0.7
84.96014	5.2
98.97564	100.0
99.97881	0.9
110.96784	1.0
110.97551	15.5
110.98277	1.0
111.23762	0.7
112.99112	3.3
116.98598	29.3
120.30804	0.8
124.99088	1.6
126.97013	1.4
127.00659	0.9
128.98586	11.0
129.02219	1.9
131.00145	2.1
134.99597	3.5
140.76158	0.8
140.98564	2.5
143.00172	3.8
144.98096	3.1
145.01688	2.9
146.99648	2.7
147.03273	6.6
149.01138	1.1
152.98593	4.4
158.99623	36.6
159.00941	1.8
161.01166	3.1
162.99147	1.3
163.02696	1.4
165.04343	4.9
167.31776	0.8
170.99652	5.5
171.03238	2.8
175.02751	1.6
177.00673	19.6
179.02246	0.9
189.00667	2.0
189.04314	9.8
193.03743	0.9
195.01764	1.6
201.00650	3.3
201.04265	1.1
207.05318	2.2
211.19424	0.8
218.99580	1.6
219.01723	31.1
231.05382	4.1
237.02777	27.6
238.03185	1.0
243.05170	0.9
249.06448	1.4
255.03764	0.8
291.07437	32.5
292.07870	1.0
309.08499	92.5
310.08817	3.2
332.10419	0.9
351.09692	33.7
351.23392	1.0
352.09583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80351	1.0
55.37563	1.1
56.96282	1.5
56.96558	20.3
58.70882	1.0
61.31873	1.0
62.08627	1.1
68.96539	1.2
69.98200	3.0
84.96014	5.1
98.97575	100.0
110.97556	18.8
112.99150	3.1
116.98614	26.8
124.99111	1.0
127.00680	1.7
128.98566	12.0
129.02246	2.6
131.00226	1.7
134.99625	3.6
140.98584	2.1
143.00188	3.5
145.01746	2.1
146.99667	4.4
147.03299	5.6
152.98590	2.8
158.99640	33.0
161.01218	2.2
162.99106	1.3
163.02780	2.4
163.84624	1.0
165.04387	3.0
170.99681	4.6
171.03276	1.8
177.00682	20.3
185.08818	1.1
189.00713	2.7
189.04306	8.0
201.00697	2.4
201.04214	1.3
207.05394	3.4
219.01744	24.3
219.03728	1.5
228.71983	1.1
231.05331	2.1
237.02797	31.7
243.05507	1.2
259.88361	1.1
290.17432	1.0
291.07455	35.7
292.08133	2.6
309.08527	87.2
310.08969	2.8
317.52924	1.3
332.10129	2.0
347.65671	1.0
351.10220	81.3
352.10370	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	351.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00901	0.8
66.84783	0.7
67.05492	2.4
70.05549	1.8
71.33048	0.7
79.05473	2.5
81.07033	2.3
91.05465	2.5
93.07020	2.8
95.04978	0.9
95.08585	2.0
101.73659	0.8
105.07029	1.9
107.08575	2.4
109.06487	0.7
119.08569	2.3
121.10134	1.8
131.08556	1.4
133.10121	1.0
135.11676	1.7
137.02301	1.5
138.02710	1.6
145.10101	1.5
147.11649	1.6
149.13243	0.8
159.11662	0.7
180.06580	1.8
181.06885	2.4
182.07053	1.0
183.07501	0.9
219.08054	1.5
235.05980	4.8
237.09192	1.0
241.19385	1.0
247.07529	2.3
248.06940	1.2
249.09187	1.2
259.20602	2.5
262.05084	1.2
262.09854	4.9
263.05740	2.3
264.06546	2.0
264.11386	1.2
265.07339	1.3
266.08041	1.6
273.12592	0.7
276.06647	2.2
277.21402	0.9
278.09482	4.7
279.05222	2.2
280.11087	1.5
290.97766	0.7
291.05368	1.0
292.06039	3.0
293.06833	5.1
293.11707	16.0
294.07532	3.7
295.13318	3.6
304.06039	1.8
306.07565	71.4
308.09174	6.6
309.13315	0.8
319.08743	1.1
320.09201	1.3
321.06293	1.6
322.07059	14.2
324.15939	5.5
333.20325	30.8
333.24356	1.6
334.20599	2.2
336.08524	4.1
337.09399	11.1
351.21381	100.0
351.24799	4.0
352.11749	92.1
352.21576	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	351.2137
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
67.05483	0.6
69.44636	1.0
69.45046	1.7
70.87618	0.5
74.06404	0.4
81.07044	0.9
92.52981	0.6
98.69455	0.5
107.04958	0.5
107.08588	0.6
135.06590	0.5
166.04953	0.7
171.87442	0.5
229.54985	0.5
285.98312	0.5
301.05646	0.6
306.07446	0.9
322.07013	0.9
333.20038	1.1
339.81387	0.5
351.21359	100.0
352.11755	2.8
352.21762	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
57.03425	1.4
57.07082	0.7
58.06591	1.0
67.05494	8.9
69.07063	3.3
71.44405	0.6
74.84940	0.5
77.03938	0.6
79.05486	10.8
81.07044	9.3
83.08598	1.0
87.39027	0.5
91.05473	9.4
93.07027	16.1
95.04968	1.9
95.08585	7.2
97.06494	0.6
105.04453	0.7
105.07011	10.1
107.08572	8.6
108.49812	0.6
109.06490	0.6
109.10143	2.0
111.08106	0.7
117.07009	1.5
119.08558	6.8
120.08876	0.8
121.10113	6.3
129.06926	1.2
131.08554	2.7
133.10129	8.4
135.08089	0.7
135.11673	7.2
142.07799	0.6
143.08517	0.8
145.10101	3.6
147.11673	8.1
148.12059	0.5
149.13234	4.9
151.13683	0.5
157.10117	1.1
159.11687	2.8
161.13248	6.0
163.11272	0.7
163.14789	1.1
171.11662	2.0
173.13234	2.0
175.14789	3.0
185.13214	2.1
199.14792	1.2
219.38614	0.6
220.07748	0.5
231.21074	1.4
235.06203	5.3
241.19377	4.2
248.07100	1.6
250.08769	0.8
251.05783	1.0
259.20532	15.9
260.20892	0.8
262.05014	0.8
263.05627	4.2
264.06497	2.9
265.07257	0.9
266.08105	1.5
276.06531	2.6
277.07361	0.9
277.21576	3.3
278.08075	1.7
279.05219	1.8
291.05237	1.5
291.08813	1.0
292.06195	2.8
292.09436	0.8
293.06757	8.2
294.07559	4.4
304.05914	2.2
306.07553	79.8
307.04636	1.1
307.08304	0.6
308.09097	7.0
320.09225	1.7
321.06155	0.9
321.49200	0.5
322.07037	19.1
333.20288	3.7
333.24048	1.1
336.08597	5.4
337.09402	11.0
350.73682	0.6
351.21078	7.9
351.25247	9.1
352.11719	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01850	3.5
55.05262	1.0
55.05503	11.6
55.69120	0.7
56.56255	0.8
57.03428	13.9
57.07063	1.6
59.04992	0.7
65.03934	1.3
66.82701	0.8
67.05492	29.4
69.06763	0.8
69.07066	9.3
69.93905	1.2
69.94271	1.7
71.04979	1.8
71.08628	10.3
75.10542	0.8
79.05478	23.9
81.03405	2.1
81.07043	29.3
83.04949	2.2
83.08609	4.6
85.06519	3.1
91.04932	1.3
91.05465	18.0
93.07030	28.5
95.04967	6.4
95.08009	1.5
95.08589	21.4
97.06492	2.9
97.10139	2.5
98.22765	0.7
99.08067	9.1
105.03405	0.9
105.04513	0.9
105.07006	18.6
107.04918	1.2
107.08576	17.9
109.06484	2.4
109.10141	8.3
111.08051	3.1
113.09644	1.5
117.06996	4.9
119.08559	13.2
120.08907	0.7
121.10125	13.1
122.10482	0.9
123.08023	1.8
123.11643	1.9
125.09579	1.8
129.06967	2.1
131.08551	5.9
133.10110	12.3
135.10709	1.5
135.11656	10.9
137.09630	1.0
143.08511	3.1
145.10101	7.4
147.11658	10.1
149.09621	1.4
149.13255	7.6
151.03860	1.9
151.10085	1.0
151.11111	5.6
152.04219	1.4
153.04384	1.2
157.10133	2.5
159.11711	4.9
161.13249	9.4
163.11172	3.7
163.14804	1.9
165.12701	1.9
166.04915	0.8
171.11653	2.7
173.11748	1.2
173.13245	2.1
175.11150	1.1
175.14807	5.1
177.12753	1.1
177.16403	0.8
179.14287	2.9
185.13211	3.6
187.14841	4.0
189.12701	1.5
199.14828	1.8
205.15967	0.8
217.19441	1.6
221.19067	1.0
231.21072	2.6
235.06114	5.3
241.19463	7.6
247.06334	0.9
248.07086	2.2
249.22069	1.0
250.08795	0.9
251.05812	0.9
252.06194	0.7
259.20551	15.2
260.07010	1.6
263.05798	3.1
264.06512	3.0
265.07309	1.9
266.08145	0.8
276.06497	3.0
277.07361	1.3
277.21552	15.0
278.08078	2.4
278.21924	1.0
279.05252	3.1
291.05286	1.3
292.06061	3.0
293.06772	9.4
294.07516	4.7
304.06152	3.8
305.06870	0.9
306.07556	77.2
308.09018	6.7
320.09106	2.2
322.07040	16.8
333.20270	1.1
333.24225	1.0
336.08606	5.5
337.09335	8.6
351.21277	17.5
351.25214	24.9
351.74826	0.9
352.11722	100.0
352.25537	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01864	1.7
55.05504	18.4
56.40818	1.8
57.03429	5.2
57.07064	2.2
59.12221	1.8
65.03941	1.8
67.05495	45.6
69.07068	15.6
69.08595	3.6
69.08994	8.1
71.04988	3.0
75.04463	3.2
76.85835	1.8
77.03911	2.1
78.47486	1.7
79.05482	57.2
81.07047	52.7
83.04989	2.8
83.08617	7.1
91.05473	54.3
93.06438	3.8
93.07034	75.7
95.04951	9.7
95.08598	35.1
97.06521	6.3
99.08081	4.7
105.04476	4.6
105.07012	60.6
106.07336	2.8
107.08578	44.9
109.06487	6.8
109.09465	2.3
109.10136	11.1
111.08165	2.1
117.07006	11.0
119.07730	4.0
119.08566	57.6
120.08917	2.4
121.10128	33.1
123.11742	3.9
124.58447	2.1
125.09637	2.0
129.06996	9.9
131.08542	21.0
133.10114	50.3
133.11143	2.6
135.08020	2.6
135.11668	34.0
141.40692	2.2
143.08560	10.8
145.10098	22.7
147.11667	49.9
149.09610	3.5
149.13278	18.2
151.11153	2.2
155.98100	1.8
157.10123	8.1
159.11687	15.7
161.13235	37.5
163.11192	2.9
163.14790	4.3
165.12703	5.2
171.11716	17.7
173.13303	10.8
175.11218	2.5
175.14819	14.2
177.12793	2.6
185.13229	15.5
187.14804	4.6
189.78676	1.8
199.14830	5.6
201.16354	2.8
203.14272	3.7
213.16371	4.2
217.15985	2.1
217.19547	2.1
223.06451	1.7
231.17436	2.4
231.21077	7.0
235.06160	2.9
241.19485	31.7
259.20554	100.0
260.20938	5.3
264.06680	2.3
276.06503	2.2
277.21432	11.1
289.21661	5.0
292.06058	2.9
293.06741	6.3
294.07602	2.8
295.00348	2.3
306.07571	39.9
308.09137	3.8
322.06961	10.0
333.24387	4.1
336.08655	3.4
337.09198	6.3
351.22095	3.3
351.25275	59.4
352.07568	3.8
352.11731	57.1
352.16061	2.8
352.25504	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01861	1.7
55.05503	13.7
56.05447	0.9
57.03425	7.3
57.07062	2.2
65.03921	1.5
67.05154	1.9
67.05495	33.8
69.07051	11.5
69.11115	2.7
69.11530	3.8
69.52973	1.1
71.04988	2.7
71.08607	2.0
77.03893	1.4
79.05478	42.0
80.05829	1.4
81.07040	37.6
82.07368	2.4
83.04967	2.2
83.08601	5.8
85.06529	2.3
91.05465	36.7
93.07027	62.0
94.07328	1.4
95.04932	5.7
95.08591	23.9
97.06529	2.1
97.10132	2.2
98.23403	2.3
99.08060	3.0
104.31682	0.9
105.04470	2.0
105.07011	37.1
107.08576	30.9
109.06451	1.4
109.10136	11.9
117.06987	8.4
119.08557	32.9
121.06502	1.4
121.10124	25.3
123.11668	4.0
125.09609	1.1
129.06993	5.1
131.08568	13.2
133.10107	27.6
135.08037	2.1
135.11673	23.2
137.09604	1.4
137.13235	1.0
143.08546	6.1
145.10097	14.1
147.11656	31.1
149.09546	1.5
149.13216	15.6
150.13683	1.1
151.11128	2.0
157.10059	7.2
159.11674	11.4
161.13232	26.0
163.11159	3.0
163.14795	4.7
165.12672	1.4
171.11670	7.8
173.13199	6.3
175.11223	1.6
175.14793	11.2
177.12724	2.7
179.14319	1.7
185.13199	8.1
187.14729	2.2
189.12790	1.3
189.16388	1.6
199.14790	4.1
203.14261	1.3
212.62804	1.0
213.16331	3.1
217.19489	1.7
222.85312	0.9
231.17462	2.0
231.21072	5.9
235.06177	5.6
238.39798	1.1
241.19496	22.0
242.19751	1.7
243.81882	1.0
248.07108	1.4
259.20532	51.9
260.20926	2.2
263.05795	3.2
264.06512	4.4
265.07251	1.6
266.08054	1.8
276.06610	2.6
277.21600	12.4
278.08096	2.6
291.05389	1.1
291.08792	1.2
292.06015	3.8
293.06842	6.1
293.09781	1.3
294.07516	6.0
304.06018	1.4
306.07550	78.1
307.04752	1.1
308.09164	7.2
320.09177	1.2
321.06540	1.7
322.07010	16.7
333.20584	1.2
333.24170	3.9
336.08566	4.2
337.09430	10.6
351.21426	3.6
351.25229	38.1
352.11716	100.0
352.25702	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01854	1.8
55.05505	14.8
56.15077	1.0
57.03426	7.1
57.07061	2.6
65.03922	2.3
67.05495	47.0
69.03416	1.6
69.07057	13.9
71.04979	2.9
75.04486	2.8
77.03923	1.8
79.05485	61.5
80.05788	1.5
81.07046	59.2
83.04979	1.5
83.08614	6.9
85.06516	4.1
91.05466	45.4
92.17358	1.4
93.07031	84.0
94.07344	2.0
95.04951	6.5
95.08594	36.6
97.06477	2.2
97.10154	3.8
99.08076	3.4
105.04558	2.8
105.07014	52.4
107.08578	51.2
108.08928	1.5
109.06513	3.0
109.10128	15.0
111.08095	1.6
113.09618	3.3
115.13845	1.4
116.52883	1.3
116.65120	1.6
117.06992	11.9
119.08563	46.0
120.08865	1.6
121.10126	42.3
123.08033	2.1
123.11693	5.1
128.06241	1.7
129.06993	6.6
131.08545	22.1
133.10106	45.7
135.08118	2.0
135.11682	39.3
136.11969	1.6
137.09612	1.9
139.11116	1.4
142.07817	2.3
143.08560	9.4
145.10104	21.8
147.11664	49.1
148.12047	1.4
149.09610	3.8
149.13234	29.7
151.11169	1.7
157.10162	9.9
159.11678	21.0
161.13242	36.0
162.13535	1.4
163.11197	2.4
163.14854	9.0
171.11647	13.0
173.13216	10.0
175.14816	15.3
177.12714	3.4
177.16440	2.2
179.47527	1.4
185.13240	15.0
187.14772	3.4
189.12766	2.5
189.16470	1.5
199.14766	7.0
201.16347	1.7
203.14311	2.0
213.16396	6.8
217.15814	1.6
217.19434	2.8
221.15370	2.1
230.18466	1.4
231.17381	3.2
231.21059	8.8
235.16949	2.0
241.19469	39.0
242.19766	3.1
255.38451	1.4
259.20538	100.0
260.20969	6.8
277.21619	18.5
306.07587	12.1
316.69211	1.5
322.07028	3.2
333.24219	10.0
351.25256	68.9
352.11755	18.7
352.25717	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01861	3.5
55.05253	2.6
55.05502	31.0
57.03430	48.2
57.07052	3.8
59.88785	1.2
65.03929	3.7
67.05495	71.7
68.05814	1.7
69.06704	1.8
69.07057	26.1
71.04966	3.5
71.08619	1.7
73.06549	1.2
75.04452	2.3
77.03891	2.1
79.05482	74.3
81.07047	85.6
83.04967	4.8
83.08603	17.3
85.06531	7.7
86.04086	1.3
91.05469	58.5
92.05795	2.0
93.07031	100.0
94.07331	1.5
95.04959	11.5
95.08591	69.4
97.06529	8.2
97.10149	4.9
99.08083	5.8
105.04517	5.0
105.07013	55.8
107.08578	63.1
109.06501	6.3
109.10143	22.7
111.08080	7.3
111.11700	1.8
113.09633	2.4
115.04516	1.3
117.07001	13.2
119.08559	43.0
121.10120	42.8
123.08054	5.2
123.11693	8.2
125.09585	3.5
129.06982	6.6
131.08546	22.3
133.10110	39.3
134.10371	1.6
135.08034	2.0
135.11676	44.2
137.09587	4.0
137.13251	1.6
139.11136	2.9
143.08588	6.9
144.09348	1.4
145.10100	22.1
147.11665	46.2
148.12022	1.7
149.09557	4.8
149.13242	26.7
151.11165	3.4
157.10114	7.1
159.11664	17.3
161.09514	1.7
161.13234	29.3
163.11154	2.5
163.14755	7.5
165.12776	3.7
171.11620	9.5
173.13202	10.5
175.14784	14.2
177.12730	2.0
177.16377	1.7
181.12181	1.7
185.13210	11.7
187.14796	13.4
189.12692	2.4
199.14828	7.2
201.16286	2.3
203.14290	2.7
203.17934	2.2
205.15852	4.8
213.16422	3.1
215.17888	1.5
217.19583	1.3
221.15425	1.9
221.18942	5.6
231.17444	1.4
231.21077	5.1
235.06116	2.7
235.57246	1.2
241.19441	20.7
259.20532	62.9
260.20999	2.8
272.94009	1.4
277.21576	23.7
277.24533	2.5
292.06046	2.0
293.06693	2.2
306.07565	35.5
308.09097	2.9
322.07089	7.5
330.36917	1.5
333.24234	7.0
337.09293	3.7
351.20981	5.4
351.25204	87.7
352.11722	45.5
352.25589	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01860	5.0
55.05503	28.6
57.03432	23.5
57.07057	4.3
59.05018	1.3
65.03915	2.0
67.05496	74.6
69.03417	2.4
69.07060	25.1
69.54229	3.8
71.04993	4.9
71.08624	55.1
74.95527	1.2
79.05483	59.1
80.05836	1.5
81.03402	8.4
81.07046	75.6
81.09252	1.2
82.07383	1.8
83.04976	13.5
83.08602	13.7
85.06539	4.5
85.80093	1.3
86.10604	1.1
91.05468	43.3
92.05781	1.3
93.07034	77.9
94.07378	1.8
95.04962	17.0
95.08596	45.8
97.06512	11.0
97.10154	6.9
99.08081	41.7
99.08719	2.7
105.04527	2.3
105.07018	35.6
107.04944	7.2
107.08584	43.9
108.08860	1.1
109.06504	6.0
109.10137	24.5
111.08087	4.5
113.09653	3.1
117.07021	8.5
119.08572	29.0
121.10128	33.3
122.10517	1.4
123.08047	3.0
123.11683	3.4
125.09624	4.5
127.11149	2.6
129.07002	4.0
131.08537	8.3
133.06558	1.4
133.10114	23.9
134.10617	1.0
135.08028	3.0
135.11676	39.1
137.09573	6.0
141.09123	5.7
143.08575	3.0
145.10114	8.4
147.08022	1.2
147.11679	14.5
149.09599	1.4
149.13223	17.6
151.11153	19.0
153.12735	1.5
157.10138	6.3
159.11684	6.7
161.09647	1.8
161.13249	18.1
163.11232	7.2
163.14864	3.9
165.12767	1.6
167.10696	2.6
171.11676	4.5
173.11754	1.6
173.13271	3.6
175.14821	3.2
177.12778	4.4
179.14284	100.0
180.14606	3.0
185.13203	3.6
187.14830	1.4
189.11186	1.8
189.12744	3.3
195.13789	2.2
199.14848	3.5
213.16414	1.4
221.15266	3.3
231.21162	2.7
235.06255	1.6
235.17000	5.6
241.19502	6.8
259.20529	19.5
260.20886	1.5
260.76688	1.3
277.21594	37.9
278.22034	1.4
293.06732	2.3
306.07562	20.0
308.08981	1.6
322.06931	6.6
337.09387	3.3
351.25259	46.0
351.74802	1.6
352.11765	31.8
352.25705	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1174
Annotation	Oxoglaucine
Peak:m/z	Relative Intensity
54.53891	0.4
58.20625	0.4
59.34702	0.4
61.48917	0.4
110.13683	0.4
128.24815	0.4
223.06157	0.4
228.76714	0.4
234.05464	0.7
235.06255	6.4
236.06790	1.0
247.06281	0.5
248.07047	1.5
250.08632	0.5
251.05734	1.1
262.04968	1.2
263.05701	4.5
264.06464	3.1
265.07278	1.7
266.08093	0.7
275.05768	0.6
276.06531	2.9
277.07187	0.7
278.08078	3.2
279.05273	1.9
291.05188	2.2
291.08499	0.8
292.06006	3.5
293.06744	7.5
294.07556	4.9
304.05945	2.4
305.06778	0.5
306.07547	85.1
307.04669	0.8
307.07773	4.2
308.09073	7.4
309.09457	0.5
311.63867	0.4
319.08459	0.5
320.05423	0.5
320.08990	1.1
321.06146	1.2
322.07022	17.3
322.10849	0.8
323.07373	1.1
336.08591	4.7
337.09402	12.2
347.62479	0.4
352.11725	100.0
353.12061	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	352.1176
Annotation	3-Methoxycepharadione B
Peak:m/z	Relative Intensity
57.77485	0.2
91.25210	0.2
98.23459	0.4
206.05983	0.3
207.06665	0.4
218.22652	0.3
220.07610	0.3
223.06219	0.6
234.05466	0.8
235.06229	6.6
236.06876	0.8
247.06282	0.5
248.06982	2.2
249.07787	0.4
250.04964	0.6
250.08630	0.7
251.05693	1.3
252.06366	0.3
260.06845	0.3
262.04984	1.3
263.05722	3.6
264.06522	3.3
265.07248	1.4
266.07809	0.4
268.06174	0.4
275.05774	0.4
276.06464	3.1
277.07294	0.5
278.04810	0.3
278.08005	2.7
279.05240	2.0
279.08154	0.4
280.06192	0.3
290.04871	0.3
290.07983	0.5
291.05243	2.1
291.08929	0.7
292.06003	4.2
292.09207	0.2
293.06775	9.0
294.07513	5.3
295.08167	0.2
304.06000	2.8
305.06662	0.6
306.07556	84.8
307.04639	0.9
307.07840	5.0
308.05606	0.5
308.09128	6.2
320.05426	0.7
320.09097	1.1
321.06226	1.5
322.07047	17.3
323.07449	1.4
336.08676	5.0
336.12674	0.1
337.09375	12.1
338.09747	0.6
352.11728	100.0
353.12057	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	352.1177
Annotation	Berlambine
Peak:m/z	Relative Intensity
55.05488	0.4
56.41399	0.3
59.46644	0.3
63.96799	0.3
67.88648	0.2
69.03398	1.4
69.08801	0.4
69.09206	1.7
81.03394	0.4
81.07008	0.4
84.04478	0.7
91.05478	0.4
97.06543	0.5
100.11243	0.7
105.03381	1.1
107.08547	0.3
111.04431	0.3
127.03844	0.4
135.97238	0.3
154.12206	1.6
171.14996	0.3
182.11757	1.0
220.07593	0.5
233.08466	0.4
235.06210	0.3
235.50681	0.3
236.07188	0.6
238.08575	0.7
245.08163	0.4
248.07106	0.8
249.07610	0.5
250.08577	0.4
251.05717	0.4
261.07877	1.1
262.08521	0.6
263.05518	0.3
264.06500	1.8
264.09354	0.3
265.07266	2.3
266.08054	3.2
276.06549	0.7
277.07339	0.8
278.05344	0.3
278.08185	0.9
279.05228	2.1
279.08798	1.7
280.06610	0.4
280.09427	1.6
281.18628	0.5
290.08023	0.5
291.08850	2.6
292.06067	1.3
292.09537	1.1
293.06763	4.0
293.09790	0.5
294.07574	6.8
295.07870	0.5
306.07553	4.3
306.10944	0.5
307.04706	2.7
307.08340	1.8
308.09128	18.7
309.09534	1.3
316.01392	0.3
320.05685	0.5
320.09238	1.6
321.06223	1.3
321.09802	0.6
322.07047	25.3
323.07516	2.0
323.11456	1.0
336.08606	16.5
337.09329	7.1
337.13116	0.6
338.13947	0.7
351.24756	0.5
351.74838	1.0
352.11731	100.0
353.12051	5.4
353.16229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16468	0.5
53.03939	1.1
55.01860	0.9
55.05290	0.6
55.05503	6.3
55.38890	0.6
55.56131	0.6
56.05032	0.9
57.03426	4.0
57.07064	0.8
58.06589	3.0
58.17503	0.5
59.04989	0.7
60.04506	1.9
61.02920	5.0
67.05492	5.6
67.81927	0.5
69.03422	13.3
69.07057	4.4
70.06583	9.5
71.04984	4.8
72.08133	1.5
73.02899	1.8
79.05476	1.0
80.04987	0.7
81.03410	4.2
81.07047	20.7
81.73952	0.5
83.08599	1.0
84.08131	1.4
85.02895	40.5
85.06524	2.2
85.14430	0.6
86.06059	1.1
87.04467	2.8
91.03946	2.0
93.07021	0.7
95.08022	1.2
95.08597	20.8
97.02879	12.3
97.10147	0.9
98.09654	0.9
99.04446	2.5
99.08079	0.9
103.03859	0.9
109.02886	3.8
109.10182	2.6
110.00941	0.5
127.03900	7.0
137.05945	1.0
137.13222	3.5
144.06522	0.7
145.04942	6.6
154.15897	5.9
155.07014	1.5
155.14267	2.3
162.67122	0.6
172.16940	86.6
173.08165	1.2
173.17346	3.0
190.17993	100.0
191.18333	3.0
214.17924	3.3
221.03177	0.6
232.19073	4.2
235.10818	0.8
256.19196	0.6
298.20129	0.6
301.74472	0.6
316.21069	4.0
328.21579	0.6
334.22220	7.2
352.23251	43.4
353.23706	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	353.084
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
51.47290	2.5
56.96550	6.5
69.03398	5.8
69.79203	5.5
69.79565	5.7
72.58753	2.5
80.08295	2.7
85.02882	6.7
92.79920	2.3
97.02884	3.1
98.22771	2.8
98.97597	5.0
108.69473	2.7
112.97412	2.3
127.03928	3.9
143.01891	4.9
145.04881	3.0
149.01219	2.9
155.01950	2.5
165.54205	2.5
172.90839	2.4
172.97646	3.6
183.04996	6.1
190.98692	6.7
203.03949	3.4
208.99713	4.2
232.99640	6.3
245.05058	6.0
251.00722	3.6
263.06213	4.1
293.05450	3.6
353.08423	100.0
365.09119	3.4
365.58267	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	353.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.2
57.03427	5.7
57.07056	4.6
65.45768	3.8
67.05501	65.7
69.07056	15.5
79.05477	33.4
81.07047	66.8
83.08600	8.1
89.79275	4.2
91.05476	16.2
93.07034	35.1
95.08587	44.7
105.07018	14.7
107.08564	26.5
109.10136	25.9
117.07010	8.7
117.62799	3.6
119.08531	10.9
121.10133	20.4
123.11683	14.2
131.08563	14.0
133.10127	10.0
135.11681	14.9
137.13216	4.3
145.10112	9.4
147.11699	7.4
149.13264	14.4
159.11697	11.1
161.13113	6.0
163.14799	9.7
173.13210	10.8
190.98412	4.4
243.21089	7.0
249.07753	5.9
261.22107	63.1
264.06180	4.8
277.07010	4.4
278.08078	5.1
279.23138	5.1
280.09631	14.7
293.06711	9.1
294.07333	13.2
295.07892	9.0
303.68423	4.3
306.07468	13.9
307.07962	67.2
307.11481	6.2
308.08932	17.5
309.09406	7.3
310.10706	11.4
322.06934	5.2
322.10626	4.6
323.07428	19.4
323.11084	4.1
324.08517	26.8
337.08722	6.3
338.10529	19.3
338.13544	21.8
339.10907	11.5
353.12012	93.6
353.15479	64.0
353.26657	8.6
354.13202	100.0
354.17316	7.4
355.21713	4.3
376.85190	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33359	2.0
55.02999	1.6
55.05515	8.5
57.07061	23.5
57.95780	1.8
59.04990	3.5
67.05501	15.7
69.03411	5.0
69.07056	14.6
69.62418	5.4
71.04980	7.0
71.08629	2.4
73.06549	5.6
78.27036	1.7
79.05474	4.2
81.03364	1.7
81.06556	3.3
81.07043	66.2
83.08611	5.2
85.02888	6.6
85.06528	100.0
93.06991	2.2
94.37702	1.7
95.08593	39.9
97.02891	1.9
97.10168	6.1
99.08082	68.6
105.07063	2.2
107.08552	2.1
109.10110	4.3
111.04396	2.1
111.11699	2.8
117.03358	3.3
137.13229	25.1
145.02808	10.4
155.14275	86.4
156.14597	2.5
173.15344	20.3
177.05435	21.9
180.29752	1.7
191.14540	3.2
191.16380	53.1
222.13365	2.0
268.09698	2.0
286.58963	2.0
304.08157	2.4
321.09885	2.5
335.11942	2.7
339.10901	5.0
354.13373	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	353.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	17.5
57.03426	4.0
57.07073	30.0
59.04979	8.7
65.03908	3.4
67.05496	21.3
69.03412	11.6
69.07059	20.1
69.78315	9.6
71.04984	32.0
79.05479	8.2
81.03384	7.0
81.06560	5.2
81.07045	100.0
82.07391	3.3
83.08589	4.6
85.02892	16.2
85.06536	52.8
91.05455	3.9
93.07026	8.9
95.04944	8.8
95.08594	66.6
97.02874	3.8
97.10155	12.3
99.08083	80.6
105.06989	5.0
107.08578	6.8
109.02832	3.9
109.10126	8.6
111.11705	3.5
119.08569	4.3
121.06477	3.6
121.10132	3.8
131.08549	3.5
136.20320	3.1
137.13239	32.6
145.10107	3.5
153.09181	3.1
155.14282	99.4
163.14876	5.6
164.07158	3.9
173.07098	4.9
173.15384	31.0
177.05417	3.2
191.08197	6.4
191.14542	6.4
191.16373	57.2
191.17970	5.7
209.15231	3.2
214.08525	3.9
233.09692	6.1
247.07648	5.0
261.09085	7.2
262.90854	3.0
263.07144	3.0
268.09384	2.9
274.10684	3.2
277.08575	3.3
278.09137	4.4
293.11536	8.2
296.09119	6.2
307.09518	4.9
321.10858	9.0
323.09097	5.6
335.12390	8.6
338.11316	3.6
339.10947	7.1
353.09949	4.7
353.13818	24.6
353.19870	4.2
354.13443	19.6
354.20569	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30029	1.0
53.03934	1.8
55.01887	1.3
55.05505	15.1
57.03427	5.5
57.07066	5.1
60.21433	1.0
65.03926	4.6
67.05496	94.1
68.05833	1.5
69.07057	12.5
71.04979	3.1
71.08616	4.2
75.04465	1.5
77.03940	1.3
79.05481	48.6
81.07046	100.0
82.07377	1.8
83.04987	1.3
83.08611	8.9
85.06539	3.2
85.10162	1.7
91.05470	27.7
91.06053	1.7
92.05808	1.3
93.07034	62.5
94.07379	1.8
95.04987	6.9
95.08596	78.8
96.08932	1.6
97.06526	2.6
97.10155	4.3
99.08084	4.5
105.04507	1.5
105.07021	22.7
107.08582	40.6
109.06532	3.4
109.10141	26.3
111.08038	2.2
113.09660	3.2
113.32951	1.2
117.06998	12.8
119.08558	13.7
121.10129	33.5
123.08054	2.5
123.11697	16.5
127.11197	1.9
129.06982	1.7
131.08554	21.4
133.10112	11.1
135.08038	1.3
135.11673	26.9
137.09660	2.4
137.13235	6.7
145.10092	15.2
147.11685	9.7
147.53786	1.3
149.09586	1.2
149.13232	21.7
151.01933	1.2
151.11235	1.2
151.14830	4.6
153.12759	2.2
159.11693	13.8
161.13248	10.5
163.11084	1.7
163.14795	17.8
165.16515	1.3
168.67345	1.1
173.13225	14.8
175.14812	2.6
177.12627	1.1
177.16406	6.9
179.14348	1.6
187.14812	9.8
191.14316	2.0
201.16406	4.8
205.15933	1.8
215.17827	1.8
233.22586	6.3
234.08917	1.8
237.46553	1.1
243.21049	27.1
244.21429	1.7
248.10677	1.2
249.11462	1.4
250.08492	1.4
251.09348	2.5
252.10208	3.8
261.22104	76.9
262.22488	4.6
263.09344	1.6
264.10147	4.0
265.10950	10.9
266.08044	6.8
266.11630	2.7
267.12515	1.7
277.10876	1.6
278.08054	2.5
278.11819	3.1
278.27753	1.1
279.09229	2.2
279.12515	6.3
279.23218	3.8
280.09653	26.2
280.12808	1.7
281.10352	5.2
292.09680	2.8
293.10342	5.6
294.07864	1.4
294.11157	5.9
295.08627	2.5
295.11975	8.5
296.12744	4.5
306.07483	1.4
306.11185	1.5
307.07907	11.7
307.11984	7.8
308.09094	5.9
308.12759	7.3
309.09665	3.5
309.13419	2.2
310.10803	2.5
310.14349	2.2
317.24677	1.4
322.06833	1.4
322.10727	3.5
323.07404	3.6
323.11392	4.8
323.15195	7.9
324.08572	4.5
324.12225	36.8
335.25748	9.8
338.09830	4.2
338.13760	39.2
338.17825	2.4
339.11432	1.9
339.14587	44.5
353.12027	20.0
353.16284	45.1
353.26822	8.4
354.13098	13.1
354.16928	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	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09380	3.5
53.50399	3.1
55.05503	18.2
57.03428	4.7
57.07066	6.1
58.03676	3.6
61.78275	4.4
63.98815	3.7
67.05494	80.4
69.07059	14.6
70.06585	7.4
70.68734	5.2
71.04998	4.7
79.05482	44.4
81.07040	85.7
81.67367	3.5
83.04961	4.1
83.08617	9.0
88.07629	18.7
91.05460	19.6
93.07022	41.3
94.07317	4.4
95.04971	8.4
95.08589	55.0
97.06532	5.9
102.09158	5.2
104.17775	4.2
105.07035	14.4
106.08661	11.3
106.68899	3.4
107.08587	33.4
109.10179	23.7
117.07038	7.5
119.08591	12.5
121.10132	22.9
123.11671	7.7
130.17513	4.5
131.08542	17.4
133.10152	11.6
135.11690	22.2
137.09625	3.7
137.13258	7.5
145.10133	14.0
147.11690	9.1
149.13283	11.7
156.73413	4.6
159.11702	9.4
161.13298	10.1
163.14815	13.9
173.13271	11.5
175.14954	4.4
177.16394	7.7
187.14723	7.2
233.22639	6.7
236.06767	9.0
238.86790	4.5
243.21004	18.1
257.61877	4.4
261.22058	56.0
278.07846	6.2
279.08603	5.7
280.06866	3.4
280.09686	22.4
281.10217	4.2
293.06528	4.0
294.07294	8.1
294.11096	9.1
295.08310	7.1
295.11896	9.1
296.09006	4.4
306.07620	10.1
307.07950	74.8
307.11453	5.9
308.09073	22.1
308.46082	4.2
309.09790	6.6
309.13626	4.2
310.10736	7.5
322.10446	6.7
323.07376	17.0
323.11301	9.4
324.08548	21.0
324.12192	15.9
337.09048	6.3
338.09869	22.2
338.13864	44.4
339.10870	10.8
339.14624	11.2
353.12042	100.0
353.16241	44.1
354.13254	96.7
354.17017	17.0
354.33603	95.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	1.4
55.01893	0.6
55.05505	14.6
56.87667	0.6
57.03428	6.4
57.07075	3.7
58.07357	0.6
62.33754	0.5
65.03934	2.6
67.05496	98.1
68.05838	0.9
69.07056	11.4
69.16435	0.5
70.52336	0.6
71.04990	1.7
71.08626	1.6
75.04465	1.1
77.03907	0.8
79.05484	41.9
80.05835	1.3
81.07046	100.0
82.07382	1.7
83.04976	1.3
83.08610	7.0
85.06524	2.7
91.05466	21.1
91.06055	1.1
93.07033	55.5
94.07404	0.7
95.04949	4.7
95.08595	69.0
96.08943	2.0
97.06514	2.9
97.10184	3.3
98.23463	1.0
99.08085	2.9
105.04495	1.2
105.07020	17.2
107.08578	35.3
108.08897	1.4
109.06511	2.1
109.10143	35.8
110.10503	0.7
111.08086	1.7
111.11744	1.1
113.09612	1.2
115.05399	0.6
117.07006	9.5
119.08555	15.1
121.10132	29.1
122.10461	1.3
123.08067	1.7
123.11694	20.4
125.09620	1.3
131.08551	17.9
132.08949	0.6
133.10106	12.1
133.11115	0.6
134.10501	0.7
135.08095	0.9
135.11673	26.1
136.12047	1.1
137.09555	0.7
137.13237	7.3
139.11169	1.3
139.17160	0.5
141.12726	0.8
143.08539	0.7
145.10100	14.5
145.89999	0.6
147.11668	9.0
149.09639	0.8
149.13228	15.6
150.13539	0.8
150.44005	0.6
151.11168	1.8
151.14822	2.2
153.12714	1.5
159.11668	13.0
161.13232	8.1
163.11169	0.9
163.14790	10.1
164.15137	0.7
165.12671	1.2
167.14351	0.8
171.11639	0.9
173.13248	14.1
173.14742	0.8
175.14847	2.3
177.12749	1.4
177.16325	3.9
179.14304	1.8
187.14821	7.4
189.16420	1.0
191.14323	0.8
201.16417	2.5
205.15852	1.5
215.17784	1.0
219.17558	0.9
233.22572	3.3
237.25459	0.6
242.63231	0.6
243.21066	17.2
244.21385	1.3
261.22101	79.6
262.22452	5.3
279.23163	5.4
307.07916	2.1
335.25745	8.5
338.09790	0.7
353.12115	2.2
353.16324	0.9
353.26804	21.0
354.13220	2.5
354.27103	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03928	1.9
55.01863	1.9
55.05506	15.2
57.03423	5.0
57.07077	5.4
63.12730	1.0
65.03924	3.9
67.05495	88.3
68.05834	2.5
69.06741	1.6
69.07062	12.8
69.70170	3.4
71.04980	2.6
71.08612	1.4
75.04458	1.9
77.03899	1.5
79.05483	50.6
79.27268	0.9
80.05798	1.1
81.07045	88.7
82.07365	2.1
83.04955	2.4
83.08626	7.4
85.06556	2.4
85.10181	1.4
91.05470	24.0
93.07032	65.7
94.07374	1.1
95.04958	4.6
95.08593	70.0
97.06512	3.8
97.10167	3.1
99.08066	2.4
105.04552	1.3
105.07014	19.6
107.08579	39.2
108.08935	1.4
109.06474	2.7
109.10137	32.3
111.08055	1.8
117.06995	10.7
119.08572	17.0
121.10126	32.8
121.10983	2.2
123.08024	1.1
123.11688	18.8
124.62596	1.1
131.08548	23.7
131.09451	2.0
133.10115	13.9
135.08041	1.0
135.11670	24.6
135.76381	1.3
137.09575	1.5
137.13228	9.2
139.11130	1.6
139.33321	1.4
145.10107	15.8
147.11678	8.7
149.13245	17.6
149.14395	1.3
151.14815	2.3
153.12740	2.1
159.11668	17.1
161.13255	8.9
163.11093	1.6
163.14792	14.0
165.12755	1.3
173.13260	15.8
175.14815	3.4
177.16351	4.3
187.14825	10.1
188.30609	1.1
191.14240	1.6
201.16396	3.5
205.15736	1.2
225.45215	1.2
233.22665	4.7
243.21089	21.7
249.11340	1.0
261.22098	100.0
262.22491	6.9
271.69458	1.1
279.23111	3.2
280.09610	1.9
291.46283	1.0
295.08521	1.2
306.07443	2.1
307.07944	6.9
323.07535	2.6
324.08633	2.1
335.25864	5.3
338.09973	1.7
338.13690	2.6
339.14575	1.9
353.12033	11.8
353.16217	3.3
353.26865	23.5
354.13214	12.1
354.27054	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02393	0.9
51.35547	0.6
53.03936	1.7
55.01870	0.9
55.05501	12.8
57.03426	6.5
57.07058	5.1
65.03933	3.6
67.05491	99.0
68.05833	2.9
69.07054	11.9
69.58793	1.1
69.59184	1.9
70.07378	0.7
71.04976	2.5
71.08619	1.7
75.04472	1.1
76.05678	0.7
77.03912	1.5
77.14389	0.7
79.05476	44.7
80.05822	0.9
81.07040	100.0
82.07367	2.5
83.04958	1.5
83.08604	6.0
85.06531	1.7
91.05463	21.8
92.04730	0.7
93.07024	57.8
94.07384	1.2
95.04955	4.2
95.08586	71.8
96.08921	1.8
97.06509	2.3
97.10149	2.9
99.08069	1.4
105.04556	0.8
105.07011	16.1
107.08569	35.9
108.08976	0.9
109.06504	1.8
109.10135	38.5
110.10496	0.9
111.08101	1.9
113.09580	0.9
113.86506	0.7
117.07002	7.4
119.08561	12.6
120.08873	0.8
121.10121	29.0
122.10471	1.0
123.08044	1.4
123.11677	18.8
123.12516	1.3
123.79689	0.8
124.12041	1.1
125.09589	0.9
129.06953	0.9
131.07642	1.3
131.08549	17.5
132.08856	0.8
133.10107	11.8
135.11661	24.3
136.12015	1.0
137.09572	1.1
137.13226	8.3
139.11201	1.1
145.10092	13.4
147.11652	8.0
149.09515	1.0
149.13222	15.4
151.14803	1.9
153.12740	1.5
155.10692	0.7
159.11653	12.2
161.13231	7.3
163.11070	0.9
163.14792	10.5
173.13226	13.5
175.14787	2.8
177.12627	1.2
177.16338	3.6
179.14285	0.9
187.14786	7.4
189.16310	0.8
195.13832	1.1
201.16347	2.9
205.15939	1.2
215.17708	1.1
219.17265	1.4
233.22607	2.8
243.21008	17.6
244.21391	0.8
261.22083	80.0
262.22433	5.9
263.23645	1.0
279.23181	4.8
317.24609	1.4
335.25772	8.2
347.40396	0.7
352.82834	0.7
353.22543	1.0
353.26776	19.4
354.26917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65565	1.6
52.53721	1.4
53.03948	2.4
55.05507	15.6
57.03428	5.0
57.07069	4.9
57.13308	1.5
57.73241	1.5
57.81207	1.7
60.02637	1.5
65.03940	2.1
67.05498	97.9
69.07057	14.3
71.04967	2.5
71.08625	3.3
79.05490	48.2
81.07050	100.0
82.07387	3.2
83.04998	1.9
83.08634	8.1
85.06551	2.3
91.05470	25.7
93.07037	60.8
95.04945	4.3
95.08600	78.5
97.06514	2.9
97.10153	2.8
97.98831	1.6
99.08087	3.6
105.07024	16.7
107.08586	41.5
109.06528	2.0
109.10148	36.5
111.28722	1.7
117.07006	9.2
119.08584	17.1
121.10131	35.2
122.10423	1.9
123.11709	17.4
129.06921	1.7
131.08549	22.2
133.10130	14.8
135.11671	28.4
137.13220	6.2
145.10115	14.2
147.11674	10.8
149.13226	18.2
159.11674	14.2
161.13223	9.8
163.14818	14.2
173.13226	15.8
175.14743	4.6
177.16402	3.8
179.14296	1.9
187.14856	10.2
201.16418	3.7
229.88890	1.8
233.22673	5.5
243.21078	21.4
261.22122	94.5
262.22495	8.7
263.23685	1.7
291.23349	2.6
308.09219	1.7
335.25754	6.7
336.28909	2.2
344.87732	1.7
353.12115	2.0
353.26801	26.2
354.13263	3.8
354.27048	2.6
365.99869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.1
55.05502	50.4
57.03428	18.0
57.07066	10.2
58.06603	3.2
61.74630	2.4
65.03932	4.2
66.79742	2.5
67.05495	88.4
69.07059	53.1
69.96501	2.6
70.06579	4.1
70.77235	2.8
71.04999	4.2
71.08620	47.0
79.05479	53.6
79.94810	2.5
81.06565	4.8
81.07043	100.0
83.04982	4.9
83.08597	20.8
85.06510	5.9
85.10242	3.2
91.05482	20.4
93.07026	49.6
95.04976	5.6
95.08595	70.6
96.08965	3.9
97.06542	8.7
97.10163	19.4
99.08077	41.9
105.04498	4.0
105.06999	26.1
107.08579	40.0
109.06461	2.9
109.10136	27.7
111.08099	6.4
111.11682	3.3
113.09576	3.6
117.07010	9.2
119.08555	13.7
121.10105	27.2
123.08073	4.2
123.11699	13.8
125.09667	14.7
131.08559	8.6
133.10086	6.7
135.08063	6.0
135.11665	23.7
137.09622	2.7
137.13260	10.9
145.10089	10.4
147.11656	24.2
149.09631	3.2
149.13239	14.1
151.14832	4.8
153.12744	10.9
159.11682	6.9
161.13264	8.0
163.11153	3.1
163.14809	11.6
165.12735	6.3
167.14319	4.6
173.11833	3.5
173.13260	9.0
177.16388	5.0
179.14441	4.0
187.14822	4.6
189.11165	4.8
193.04967	5.0
195.13882	4.1
233.22589	4.5
243.21013	14.2
261.22110	41.3
261.24680	5.2
278.07980	6.4
279.23099	27.8
280.09705	10.8
290.86526	2.7
294.07297	6.6
295.08514	5.1
295.11887	4.8
306.07428	5.0
307.07950	32.6
307.11429	4.8
308.09076	12.0
310.10712	7.3
322.10602	4.0
323.07471	6.4
324.08603	20.1
324.12082	4.9
336.32526	3.1
338.10114	5.1
338.13858	14.1
339.11151	5.4
339.14389	5.5
353.12085	48.4
353.16348	12.8
353.26743	54.4
354.13254	75.7
354.17380	6.2
354.33664	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	25.0
55.05503	36.9
57.03426	12.2
57.07061	10.9
58.06592	3.5
67.05492	60.5
69.07059	66.2
70.06603	2.7
70.55903	4.8
71.04995	5.6
71.08624	6.6
79.05484	35.8
81.07039	68.4
83.04967	10.9
83.08598	30.0
85.06512	5.3
87.91981	2.5
91.05465	14.1
93.07026	43.5
94.07375	3.2
95.04950	5.5
95.08591	61.4
97.06503	12.6
97.10175	12.2
98.10987	2.5
99.08060	5.2
105.07016	12.2
107.08578	34.4
109.10130	31.0
109.53485	3.2
111.08092	4.7
113.09624	2.8
115.05437	3.2
117.07015	5.0
119.08568	10.6
121.10111	25.2
123.08069	4.6
123.11664	12.7
125.09621	5.5
131.08563	12.5
131.68593	2.6
133.10130	9.9
135.08037	4.1
135.11665	29.0
137.13268	8.7
143.08549	3.5
145.10054	13.9
147.11687	9.8
149.13226	6.4
151.11203	2.9
153.12683	26.8
155.10667	4.1
159.11682	7.9
161.13258	6.9
163.11214	4.5
163.14813	8.8
165.12711	4.4
171.11676	4.6
173.11865	3.2
173.13210	6.4
175.14775	4.5
177.12769	2.8
187.14787	5.9
233.22604	6.7
243.21140	9.2
250.49832	2.7
251.23686	6.4
261.22137	28.7
264.06369	3.4
266.07773	3.0
278.08093	4.1
279.23187	29.2
280.09595	12.7
280.23605	2.9
287.74347	2.9
291.23099	3.9
292.06464	3.1
295.08151	7.2
295.11636	3.4
296.09125	5.9
306.07474	4.8
307.07892	31.4
308.09070	21.6
309.09521	5.1
310.10693	8.2
322.10660	7.4
323.07358	7.7
323.11102	2.7
324.08667	20.3
336.32629	4.8
338.09991	10.3
338.13855	18.2
339.10895	9.6
339.14609	4.5
353.12067	39.7
353.16202	20.3
353.26776	38.3
353.79193	3.9
354.13223	100.0
354.16766	6.2
354.33459	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	354.133
Annotation	Cerasonine
Peak:m/z	Relative Intensity
50.63158	0.4
55.26220	0.3
65.66079	0.3
70.47589	0.6
73.99955	0.3
89.83472	0.3
92.81354	0.3
109.16534	0.4
134.73726	0.3
220.07452	0.4
221.08165	0.4
232.07686	0.4
233.08324	1.3
237.07892	0.6
248.07036	0.4
249.07748	5.9
250.08467	2.2
253.07368	0.7
261.08008	0.8
262.08408	0.7
263.09448	0.7
264.06488	0.7
265.07208	1.7
266.08075	3.0
267.08768	1.0
268.09756	0.4
276.06549	0.7
277.07291	2.9
278.08020	4.9
279.08905	2.4
280.06049	1.2
280.09662	2.7
281.06650	1.7
290.08087	1.1
291.08670	0.6
293.07242	0.7
293.10486	1.1
294.07578	4.0
294.11084	1.0
295.08353	7.9
296.09100	3.9
305.06741	0.5
306.07571	2.3
307.08371	2.3
308.09100	24.2
309.06259	1.0
309.09683	2.0
310.07053	0.7
310.10657	14.6
311.11093	1.1
322.10693	4.5
323.07840	0.9
323.11807	1.2
324.08615	20.4
324.11896	0.7
325.09058	1.4
338.10144	4.2
339.10907	10.5
339.14423	0.6
340.11316	0.6
354.13290	100.0
355.13620	7.4
355.17587	0.6
359.55496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1332
Annotation	Cerasonine
Peak:m/z	Relative Intensity
68.36118	0.3
69.29087	1.2
95.50671	0.2
130.76500	0.2
141.86740	0.2
221.08337	0.4
225.07625	0.4
232.07668	0.4
233.08315	0.9
236.07089	0.4
237.05595	0.2
237.07741	1.2
238.08624	0.8
248.07054	1.0
249.07797	5.8
250.08533	2.0
252.06471	0.5
253.07439	0.4
261.07886	0.7
262.08582	0.7
263.09348	0.4
264.06583	0.8
265.07285	1.5
266.08099	2.8
267.08862	1.7
268.09598	0.7
276.06628	0.7
277.07324	3.4
278.08060	6.7
279.08762	2.3
280.06021	1.0
280.09641	2.4
281.06778	1.4
282.11316	0.4
290.08032	0.9
291.08618	0.6
292.05969	0.7
292.09549	0.6
293.06830	1.1
293.10431	1.2
294.07596	3.3
294.11166	0.6
295.08362	8.4
295.11475	0.3
296.09122	3.0
305.06851	0.7
306.07596	2.5
307.08350	2.2
308.09119	22.6
309.06277	1.1
309.09628	2.6
310.10681	14.7
311.10922	0.9
322.07257	0.3
322.10638	4.7
323.07681	1.3
323.11398	1.8
324.08612	20.5
325.09061	1.6
338.10147	4.4
339.10950	9.1
339.14285	0.4
340.11215	0.8
354.13303	100.0
355.13611	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	354.1698
Annotation	Dihydropalmatine
Peak:m/z	Relative Intensity
52.05729	0.3
53.18761	0.4
55.05412	1.1
55.05658	0.5
57.03344	0.5
57.06986	0.5
58.06500	0.5
67.05382	7.1
67.05784	1.4
68.05725	1.2
68.06067	0.4
69.06937	1.1
70.06483	0.3
71.08537	0.5
71.15015	0.4
79.05360	4.2
80.05703	1.2
81.06923	7.4
81.07435	0.9
81.17273	0.3
82.07256	1.6
83.08509	0.7
86.79751	0.3
90.27643	0.4
91.05338	2.3
93.06901	5.2
94.07237	1.1
95.04863	0.7
95.08460	5.8
95.09135	0.5
96.08802	1.3
98.23432	0.8
99.07996	0.5
105.06872	1.7
106.07243	0.4
107.08446	2.9
108.08813	1.1
109.10010	2.4
117.06870	1.0
119.08435	1.1
120.08788	0.5
121.10133	2.6
122.10307	1.1
123.11541	1.2
131.08578	2.2
132.08791	0.7
133.09972	1.2
135.11678	2.1
136.11870	0.5
145.10051	0.8
146.10304	0.8
147.11560	0.9
148.11877	0.5
149.13103	1.4
150.13472	0.6
159.11522	0.8
161.13118	0.5
163.14716	0.6
164.15044	0.6
173.13176	0.7
174.13547	0.5
177.16258	0.6
182.02965	0.4
184.72310	0.4
187.14697	0.9
188.15016	0.7
210.08975	0.5
221.08270	0.4
222.09091	0.7
223.09966	0.4
233.08432	0.5
233.22461	0.5
234.08917	0.6
235.09743	0.8
236.10509	0.6
237.11200	0.8
238.08385	1.3
243.20897	0.9
244.21315	1.4
247.09641	0.6
249.07727	1.3
250.08501	3.9
251.09227	1.7
252.10112	4.8
253.10777	1.6
261.22067	2.7
262.22458	4.0
263.09317	2.7
263.12982	0.5
264.10190	4.8
265.10941	22.4
266.08099	15.8
266.11255	1.8
267.08551	0.9
267.12073	0.4
268.12967	0.4
276.09946	0.6
277.07196	0.9
277.10410	0.6
278.08032	3.7
278.11618	1.3
279.08823	1.4
279.12399	4.1
280.09570	9.9
280.13132	3.8
281.07135	0.8
281.10318	10.8
282.10693	0.5
290.78873	0.4
291.08722	1.1
292.09653	2.6
293.07047	0.9
293.10391	17.1
294.07529	2.4
294.11002	2.4
295.08319	1.6
295.11893	9.0
296.09482	0.8
296.12698	10.9
297.13202	0.4
306.07639	0.4
306.11087	1.1
307.08344	0.4
307.11887	1.6
308.09024	4.7
308.12695	18.2
309.09839	6.2
309.13153	1.4
310.10626	2.4
310.14136	1.5
311.14590	0.7
322.10641	1.1
323.11398	1.6
323.15079	16.7
324.08829	5.2
324.12231	89.3
325.09137	0.6
325.12579	5.3
336.26080	0.9
338.10052	1.3
338.13840	1.8
339.14566	100.0
340.14899	6.1
354.13162	13.0
354.16943	93.7
354.33694	1.6
355.13681	0.9
355.17398	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	354.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
57.03434	3.2
67.05490	2.8
69.07031	1.3
69.77827	4.0
71.04989	8.0
72.32471	1.5
73.02906	3.3
83.04995	1.5
85.02899	4.2
85.06532	6.9
92.58736	1.4
94.88334	1.2
95.04956	5.3
97.02839	1.3
97.06471	1.8
101.02372	17.4
111.04427	2.1
111.08052	1.3
113.05993	100.0
114.06300	2.1
131.07021	35.2
135.04378	1.7
139.07506	6.3
146.05975	10.2
152.37421	1.1
154.04976	1.9
157.08588	9.2
163.03850	6.6
174.05486	3.3
174.17438	1.1
175.03902	1.3
175.09648	5.4
182.04514	2.0
188.07060	3.7
192.02979	1.7
192.06570	4.7
194.04483	2.5
196.06017	3.5
206.07970	1.7
234.07597	1.6
243.05223	1.2
245.02837	1.4
260.05551	3.0
272.77863	1.2
275.06586	1.2
304.08142	1.9
322.09137	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	354.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
57.03430	5.1
58.06588	3.2
60.62679	1.2
67.05487	4.2
69.03389	1.5
69.78221	1.3
71.04973	6.7
71.43878	1.5
72.13226	1.4
73.02904	4.8
79.05496	1.7
83.04972	3.1
85.02903	6.1
85.06532	4.7
91.05502	1.2
93.07046	2.1
95.04957	5.4
97.02901	3.2
97.06528	4.2
101.02370	17.4
110.07162	3.1
111.04439	2.2
111.08063	4.2
113.05996	100.0
115.07564	2.9
127.03913	1.7
129.09108	1.4
131.07028	33.0
133.28668	1.4
135.04390	2.0
136.03976	1.4
139.07571	8.3
145.02826	2.7
145.04918	1.4
146.06003	18.8
150.05595	1.8
152.93420	1.4
157.08572	14.6
163.03911	11.9
164.03401	1.8
172.16934	1.4
174.05501	5.7
174.09142	1.9
175.09607	8.0
182.04631	2.5
188.07028	10.6
192.02890	4.0
192.06468	11.0
192.10291	3.3
194.04497	3.3
196.05989	2.9
212.07097	1.9
232.05969	2.2
234.07597	2.3
252.42247	1.6
258.07520	1.8
286.06921	2.9
304.08099	8.2
322.09171	22.4
354.12161	2.1
354.19876	4.2
355.13788	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61280	13.4
55.60036	10.2
56.96553	25.9
57.03411	20.1
61.02909	14.4
64.70881	10.2
69.03426	57.2
71.00708	10.1
73.02895	13.1
85.02899	100.0
86.03207	14.2
97.02884	46.7
98.97566	31.2
99.82784	12.5
100.87826	10.8
101.00906	11.1
127.03893	39.8
130.30368	12.1
143.01903	28.2
144.02122	10.8
145.04947	27.9
155.01930	10.5
155.13416	11.8
161.02950	18.2
174.97688	15.9
183.55026	19.1
184.04842	13.4
185.02885	16.6
186.03027	18.7
187.02754	11.6
192.55548	15.0
192.98663	14.8
204.04062	11.4
217.03850	13.4
245.05173	21.2
246.05336	23.0
247.04935	21.9
258.99744	32.6
300.62476	12.2
324.67563	14.7
330.98288	24.2
355.07443	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31717	3.2
56.96564	26.4
58.06579	4.7
62.11371	3.4
62.48251	3.0
68.91515	3.1
69.03405	4.8
69.89501	9.7
70.06554	3.8
73.04755	4.5
73.06544	3.1
82.06554	7.6
84.96013	7.5
85.02914	4.9
86.09674	3.5
91.05796	7.2
98.22736	5.9
98.97566	44.5
107.04942	3.3
107.14515	3.6
110.06019	18.1
110.97561	14.4
116.98578	17.2
117.03393	3.7
122.09302	3.1
126.05492	8.4
128.98593	17.9
134.99590	4.5
135.04405	14.1
136.07578	57.0
146.99632	5.7
163.00694	7.4
163.03891	42.4
164.07050	100.0
170.99597	4.2
177.00726	6.7
179.00175	7.4
181.01691	4.4
182.08089	72.4
197.01198	9.8
199.02774	6.1
201.00816	5.0
204.07632	3.7
205.06067	4.5
209.01204	3.3
211.02827	11.1
219.01801	18.5
223.02763	7.3
227.02269	5.8
229.03809	15.1
237.02753	26.4
241.03888	10.6
247.04900	5.0
249.38750	3.4
253.00058	4.0
253.03854	8.6
257.03317	4.8
271.01248	8.1
271.04816	7.2
283.04962	5.0
319.12698	7.1
337.08896	7.4
355.07059	49.9
356.22202	4.3
357.19742	3.2
373.07919	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.76306	0.6
57.91504	0.7
58.06596	7.7
66.75871	0.6
67.05483	0.8
69.03437	0.7
70.06566	0.7
71.44012	1.0
79.05491	1.6
81.03375	0.8
85.02892	1.3
89.03909	7.1
95.04962	1.0
98.97567	1.4
107.04944	2.5
108.33511	0.6
110.97536	1.0
115.45930	0.6
117.03369	9.9
135.04399	18.5
145.02831	12.3
147.06360	1.0
157.27292	0.6
163.03885	100.0
164.04251	2.7
169.18271	0.7
175.05672	0.9
181.05019	0.9
219.01637	0.9
221.05556	0.9
237.02893	1.3
354.20520	2.2
355.06876	1.2
355.13361	2.0
355.20419	1.3
356.14966	1.4
356.22104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46577	0.4
55.13652	0.4
58.06595	4.7
62.55458	0.4
67.18173	0.4
68.44294	0.4
79.05474	0.5
112.99456	0.4
122.92975	0.4
153.06891	0.5
155.08522	0.4
157.40982	0.5
164.13318	0.4
165.06950	1.0
167.08437	0.6
173.53757	0.4
178.07675	0.6
179.08566	0.8
181.06468	0.7
183.07982	0.9
189.07005	0.9
191.08530	0.6
192.05678	0.7
193.06447	0.5
194.07271	0.9
195.07951	1.3
204.05624	1.0
205.06505	1.3
206.07242	2.8
207.08015	1.5
208.08743	1.7
209.06010	0.9
209.09554	0.6
211.07506	3.6
217.06482	0.8
219.07964	3.2
219.12811	0.5
220.05145	1.6
220.08867	0.9
221.05998	1.5
222.06664	1.0
223.07495	2.1
224.08275	1.8
225.09048	0.6
226.09862	1.5
233.05693	0.6
234.06778	2.9
235.07523	5.4
236.08292	2.8
237.08977	0.9
238.09836	2.1
239.07002	5.7
239.10539	2.1
247.07512	18.8
248.04572	0.8
248.07713	1.0
249.05443	0.8
249.06314	0.7
249.09029	6.2
250.06253	1.9
251.06987	2.2
251.10507	1.5
252.07718	2.3
253.08574	6.3
254.09358	17.7
255.09682	1.2
262.06104	0.7
263.06967	5.3
263.09482	0.7
264.07755	3.5
265.08569	3.8
266.09149	0.9
267.06494	2.0
267.10037	3.8
268.07114	0.5
268.10181	0.5
269.11826	1.1
276.70761	0.4
277.08582	14.5
278.09122	2.0
279.10135	14.0
280.10513	1.5
281.08011	1.8
282.08847	13.8
282.11905	1.1
283.09341	1.6
294.12488	6.4
295.09601	18.1
296.10007	1.6
297.11176	100.0
298.11508	7.2
309.09937	0.7
310.11948	51.4
311.12366	4.3
325.09045	1.2
325.14362	3.2
327.15213	0.7
340.07962	0.6
340.11597	1.4
347.19275	0.6
355.14029	30.3
356.14648	3.9
356.18549	1.3
356.66580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52593	2.9
56.96547	6.3
57.03423	9.8
58.06590	4.4
59.04993	3.8
61.02909	4.7
61.19785	3.1
69.03418	41.9
69.71644	7.1
69.72040	6.5
70.06573	3.6
73.02892	4.7
82.06554	7.7
85.02897	56.9
87.04459	24.2
89.03893	9.8
97.02879	42.0
98.97567	7.3
109.02878	3.4
110.06004	22.2
115.03903	31.1
116.98582	4.2
117.03331	8.8
122.05998	4.6
126.05473	5.4
127.03878	10.1
133.04944	36.1
135.04370	18.5
136.02795	3.5
136.07549	45.7
145.02818	12.9
145.04944	25.1
163.03879	78.3
163.05981	4.7
164.07040	100.0
165.07388	8.2
172.52312	3.3
177.06604	3.9
182.08112	75.5
183.08461	3.3
192.03979	15.4
193.04688	7.9
194.08070	13.5
205.06056	13.8
215.35931	3.6
223.05840	3.6
237.02838	5.4
256.09769	5.2
355.09952	85.7
355.13440	4.5
356.13361	6.4
356.22260	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	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01864	1.8
55.05500	39.7
57.03432	7.6
57.07068	14.1
58.06593	26.5
63.69336	1.6
65.03915	2.2
67.05494	75.3
68.05810	1.8
69.07059	43.2
69.18569	9.8
70.06577	10.2
71.04984	2.9
71.08629	7.7
74.68868	1.4
79.05482	25.3
81.07041	100.0
82.07427	1.6
83.04975	2.1
83.08608	29.3
85.06519	3.5
85.10169	3.1
88.07613	10.2
91.05455	18.7
93.07034	27.6
93.15102	1.4
95.04976	3.5
95.08589	74.2
96.08928	2.0
97.06532	11.6
97.10152	18.5
99.08070	3.4
102.09158	3.3
103.91983	1.5
105.07025	14.5
106.08668	6.9
107.08572	19.5
109.10140	39.5
111.08062	3.2
111.11698	7.9
113.09595	1.7
119.08578	17.4
121.10114	27.1
123.11687	21.1
125.09612	1.8
125.13272	3.8
133.10103	15.5
135.11670	13.8
137.09630	2.9
137.13213	7.9
139.11172	1.9
141.12701	2.4
147.11624	12.0
149.13260	13.0
151.11186	1.9
151.14807	6.1
161.13251	14.1
163.14799	10.4
165.12718	2.1
165.16367	4.1
175.14819	10.8
176.10881	1.4
177.16335	2.7
179.17851	3.1
181.15842	1.8
189.16379	4.9
193.15843	1.8
203.17934	1.9
217.19707	1.7
241.16289	1.6
245.22639	34.4
247.24219	1.7
251.10716	2.1
261.48257	1.5
263.23660	36.5
264.24033	1.7
279.10071	5.1
279.13129	1.6
280.10995	3.5
281.08084	1.7
294.12439	11.5
295.09573	5.6
310.11841	5.1
311.13205	1.9
325.08755	1.9
325.14294	7.9
337.27362	26.9
338.34143	4.1
340.11368	2.6
355.13617	11.0
355.28244	5.9
355.33478	2.6
356.14679	8.1
356.18433	2.9
356.35172	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.0
53.79841	1.6
55.01849	2.1
55.05244	3.1
55.05502	38.9
56.96561	1.5
57.03416	8.6
57.07068	13.5
58.06296	2.1
58.06591	44.5
67.05496	82.4
68.05834	2.9
69.07057	43.5
70.06577	3.2
71.04979	4.3
71.08620	6.1
79.05482	26.5
81.07047	100.0
82.07378	2.9
83.08607	32.7
85.06532	3.9
85.10123	2.6
88.07617	7.2
89.07917	2.4
91.05450	17.0
93.07031	31.7
95.04948	4.6
95.08595	83.3
97.06506	8.5
97.10149	23.8
99.08044	3.8
105.07018	15.6
106.08650	3.3
107.08584	24.4
109.10142	39.8
111.08047	6.1
111.11705	5.6
113.99996	1.6
117.06995	2.3
119.08543	16.3
121.10123	27.2
123.08080	3.5
123.11694	21.1
125.09600	2.0
125.13269	2.6
129.05469	2.2
133.10109	19.9
135.11671	16.7
135.60307	1.6
137.09576	2.3
137.13243	8.9
139.11176	3.0
141.12750	2.3
143.08534	2.0
145.10130	3.2
147.11656	14.1
149.13235	11.3
149.26270	1.7
151.11136	3.7
151.14807	6.4
157.10143	2.6
161.13290	12.2
163.14771	12.3
165.12698	2.1
165.16377	6.7
167.14264	3.5
175.14719	9.9
177.16310	2.2
179.17885	4.4
189.16386	5.4
207.17201	2.5
220.08873	2.3
235.07591	2.1
236.08257	2.4
245.22652	35.8
246.23090	2.0
251.10670	5.2
263.23682	39.8
264.24054	2.2
279.10123	10.4
294.12402	23.4
295.09552	10.2
309.09406	5.5
310.11978	10.9
311.08902	2.3
315.15900	2.4
320.51505	1.8
325.08746	5.3
325.14417	13.5
333.17325	4.1
337.27313	25.2
338.27332	1.9
339.10669	2.1
340.14917	3.1
355.13617	24.0
355.24811	9.8
355.28360	7.6
355.33911	39.7
356.14664	14.3
356.18604	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	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05499	2.3
58.06592	6.6
65.03925	2.4
67.05495	17.3
69.43327	4.9
70.49257	1.1
73.02882	1.4
81.03405	4.0
85.02847	1.2
85.06528	4.9
92.04960	1.5
95.04940	14.0
98.22582	1.0
105.03371	4.3
113.06010	3.6
113.76058	1.1
123.03172	2.3
123.04423	2.3
135.04367	1.3
136.03839	2.2
141.05399	4.7
142.88393	1.1
148.03819	2.4
148.52666	1.1
151.02603	6.3
163.03880	6.1
164.03178	2.3
164.04262	5.2
166.04964	42.0
167.05244	1.4
169.03682	7.5
176.03386	9.7
177.00581	2.8
179.02083	9.0
180.74628	1.1
182.05931	1.5
184.06059	1.5
186.05412	1.3
188.08182	1.1
189.04413	1.1
192.02882	18.1
193.03450	1.7
194.04465	32.7
194.08125	2.1
195.01520	5.3
198.07570	4.2
200.07013	2.1
202.04886	1.4
205.03680	4.2
208.06015	2.2
214.08484	1.1
216.06442	2.3
217.07312	1.4
218.08081	2.4
219.05154	7.4
220.05971	14.3
224.07294	1.3
227.05711	7.4
228.06529	2.2
229.03581	1.2
229.07280	2.5
230.04439	4.6
230.08047	1.2
231.05208	14.9
232.09689	1.5
234.07578	11.3
242.08093	5.9
244.06058	3.9
245.06763	11.0
246.07556	20.9
247.07974	1.4
255.05304	2.4
259.08344	2.7
260.09222	8.2
270.07544	6.3
273.06308	4.7
288.08615	100.0
289.08963	6.1
306.09662	36.8
307.09967	2.2
324.10730	77.1
325.11011	5.4
338.12299	2.5
356.14401	2.8
356.22110	15.4
357.15155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.9
55.05507	2.0
57.02594	1.1
57.03434	1.7
57.07066	1.2
58.06596	23.5
65.03921	1.5
67.05495	17.6
69.03412	5.2
69.07019	1.3
69.65141	4.7
70.06579	1.4
72.08121	1.1
73.02901	2.1
73.06557	1.5
81.03407	6.3
82.06529	1.1
85.02876	11.1
85.06542	4.5
87.00828	6.3
93.07037	1.6
95.04957	14.1
95.08568	1.4
95.38385	1.1
97.02892	3.3
99.04468	1.7
105.01862	8.8
105.03391	4.0
105.07044	2.2
109.02856	3.2
110.06042	2.5
113.06009	2.0
113.09622	1.3
117.05479	3.2
121.06509	1.6
122.09603	2.1
123.04400	2.8
123.27676	1.3
127.03902	6.5
133.42256	1.5
136.03882	1.8
138.05458	1.3
139.59933	1.3
141.05457	5.2
145.05008	3.2
148.03940	1.5
151.02629	4.0
155.31870	1.3
163.03905	5.0
164.03160	1.6
164.04251	5.4
164.07047	2.5
166.04980	42.6
169.03618	6.2
172.07529	1.8
176.03409	5.5
177.00601	2.3
179.02158	6.5
182.06015	1.4
192.02908	15.3
193.03442	1.9
194.04462	25.6
194.08047	2.9
195.01459	2.1
195.02994	2.4
196.07574	1.4
198.07587	6.0
199.06230	2.6
200.07086	2.5
202.05072	2.2
204.06519	1.4
205.03773	2.8
208.06050	1.9
216.06557	1.1
217.07259	1.3
218.04506	1.3
218.08154	2.1
219.05222	7.0
220.06050	10.2
227.05672	6.0
228.06445	2.2
229.07292	2.3
230.04561	3.2
231.05170	12.7
232.09601	2.1
234.07597	10.5
242.08139	6.2
244.06044	4.0
244.09581	1.7
245.06734	6.5
246.07561	16.9
247.07951	1.7
255.05350	1.4
259.08344	1.7
260.05615	1.9
260.09164	8.8
270.07614	6.1
273.06281	5.8
288.08618	80.8
289.08960	4.1
306.06171	1.7
306.09671	41.2
307.10037	3.3
324.10724	65.8
325.11111	4.3
338.12421	2.1
338.21228	4.6
356.13846	5.4
356.22156	100.0
357.15311	6.1
357.22495	5.2
377.88086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06592	52.6
62.47611	0.5
65.90329	0.4
68.99782	1.1
69.06419	0.4
69.24923	2.5
79.05481	0.4
87.56302	0.4
96.71033	0.5
113.35563	0.4
128.06209	1.2
139.05414	0.6
141.06935	0.7
143.17427	0.4
151.00491	0.5
152.06207	1.4
153.07014	1.0
165.06995	2.4
167.04860	2.5
167.08534	1.1
168.05710	0.9
169.06465	2.8
169.07693	0.5
170.91408	0.4
171.08057	1.4
172.03932	1.1
176.06277	0.8
177.06987	1.2
178.07808	1.0
179.08571	0.7
180.05663	2.6
181.06453	0.7
183.08051	1.0
184.05112	0.6
185.05927	0.6
191.04878	0.7
191.08516	0.6
192.05737	0.7
193.06509	2.1
194.07217	1.3
195.04375	4.0
195.08054	1.8
196.08730	0.4
197.05945	3.1
199.07518	6.3
204.06532	1.9
205.06493	1.7
207.08052	1.3
208.05159	3.9
208.08727	0.6
209.05872	1.4
210.06697	2.2
211.03909	0.8
211.07535	1.1
219.04520	0.8
219.08026	1.2
220.08719	0.6
221.05997	3.1
222.06712	2.0
223.07515	7.6
224.08070	0.6
225.05472	4.4
225.09035	3.3
227.06989	14.0
228.07373	1.0
233.05992	0.9
235.07437	1.5
236.04626	4.4
236.08264	1.1
237.05383	1.5
237.09061	8.5
238.06140	1.2
239.06961	1.3
240.07837	2.3
247.07559	0.8
249.05437	1.0
249.09102	1.4
250.06245	2.3
251.06995	12.2
251.10718	1.0
252.07402	0.8
253.04961	7.0
253.08583	4.4
254.05429	0.5
255.10011	1.2
257.04526	0.5
263.06952	1.8
264.04462	0.5
264.07724	1.9
264.10489	0.4
265.05612	1.0
265.08536	14.3
266.05643	0.9
266.09033	0.9
267.06573	1.7
267.10101	0.9
268.07291	10.1
269.07977	3.0
278.05884	0.9
279.06491	8.8
279.10095	4.1
280.10895	40.4
281.04587	1.2
281.08054	21.3
281.11197	2.3
282.08582	1.8
283.09665	3.1
296.06772	11.6
296.10391	25.3
297.07349	2.1
297.10791	1.6
311.09079	100.0
311.12698	26.7
312.09555	6.7
312.13080	1.7
313.10614	0.7
356.14780	16.7
356.18555	24.6
356.22061	1.1
357.14957	1.4
357.18903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1488
Annotation	(+)-Eschscholtzidine N-oxide
Peak:m/z	Relative Intensity
58.06593	9.5
69.07067	0.5
69.71157	0.9
72.04504	1.0
82.27694	0.4
109.84946	0.4
144.95728	0.4
165.06879	0.6
176.06259	1.2
178.07806	0.6
179.08528	0.8
181.06453	0.5
189.07008	1.8
189.97748	0.3
190.07774	1.6
191.08536	2.9
193.06447	1.2
194.07112	0.5
195.07925	0.4
201.06874	0.4
202.07657	1.3
203.08490	0.6
204.05641	2.4
205.06453	2.8
205.08171	0.4
206.07253	1.0
207.08014	5.0
208.08795	3.5
208.73758	0.4
217.06549	0.5
218.07188	2.1
219.08020	8.0
220.08775	5.1
221.05969	5.6
221.09505	1.4
222.06613	0.8
223.07451	1.0
223.11163	1.5
224.08252	0.9
225.09143	1.1
232.05171	1.3
233.05949	4.8
233.09581	1.0
234.06680	1.3
235.07512	6.6
236.08284	11.4
237.05385	0.5
237.09062	2.5
238.09763	0.4
239.10675	1.7
246.06781	1.1
247.07533	15.5
247.09877	1.3
248.08315	12.2
249.05481	5.7
249.09027	2.4
250.05617	0.5
250.09773	1.4
251.10638	23.1
252.07791	2.7
252.10724	1.1
253.08319	0.5
261.09045	1.4
262.08704	1.8
263.07007	2.0
263.09521	0.5
264.07776	14.7
265.08405	2.6
265.10986	1.2
267.10135	7.8
268.10760	0.6
275.09354	0.6
277.08533	0.9
278.09204	1.6
278.11884	0.8
279.10114	100.0
280.10544	7.1
281.08124	1.4
281.11679	0.9
282.12509	0.4
290.08078	3.0
291.08737	1.3
293.11700	3.6
294.12454	34.2
295.09647	11.4
295.12808	1.9
296.09894	2.1
296.13260	1.9
306.11212	18.6
307.11533	1.3
310.11862	15.1
310.60513	0.5
311.09277	0.8
311.12637	5.9
313.14102	0.5
324.12253	3.2
325.10349	0.9
325.14304	19.0
326.14655	1.4
338.14304	0.5
356.14648	3.4
356.18564	4.8
356.22449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64359	0.7
58.06581	3.1
70.69370	0.6
76.65414	0.7
88.12835	0.6
90.07919	0.6
152.02014	0.6
162.74976	0.8
189.06960	0.8
191.08537	3.8
192.09250	0.8
207.07997	2.4
208.08788	2.2
209.09595	1.0
218.07187	0.9
219.07988	4.7
220.08813	5.8
221.09590	2.3
223.07610	0.8
223.11157	4.2
224.08298	2.6
233.09656	3.5
234.06824	1.3
235.07516	4.3
236.08273	14.1
237.09052	3.1
239.10611	4.7
240.07716	0.9
247.07620	1.6
248.08240	1.5
249.09122	3.0
250.09837	2.1
251.06786	0.8
251.10617	20.0
252.07793	2.9
252.10843	1.3
253.08553	0.9
255.09969	1.0
261.09155	1.0
263.06964	0.8
263.10632	2.7
264.07788	2.8
265.08505	1.8
267.10135	8.5
268.10648	1.6
269.11786	0.8
277.08533	1.9
278.09299	1.2
279.10095	36.3
280.10587	3.8
281.07983	2.4
281.11508	1.5
282.12341	3.0
283.09503	1.7
293.11731	1.2
294.12448	100.0
295.09668	34.3
295.12796	6.7
296.10168	3.7
298.11887	2.3
310.11942	52.3
311.09207	0.8
311.12405	4.3
313.14282	6.7
325.14294	55.5
326.14639	3.5
330.71680	0.7
356.14734	5.6
356.18561	10.2
357.19031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1851
Annotation	Secoxanthoplanine
Peak:m/z	Relative Intensity
58.06593	67.7
59.06917	0.7
68.99811	0.6
69.67200	1.3
72.08139	0.6
94.48501	0.4
105.55577	0.4
119.79015	0.5
141.06947	0.4
152.06194	0.8
153.06900	0.5
165.06955	2.1
167.04976	0.5
167.08557	0.8
169.06454	1.1
177.06931	0.6
179.08524	0.5
180.05617	1.0
181.06511	1.0
191.08589	0.9
193.06467	0.8
194.07333	1.0
195.04408	1.4
195.08063	1.4
197.06041	0.9
197.09634	0.5
199.07573	2.3
205.06432	2.6
207.08072	0.6
208.05200	1.2
208.08823	0.7
210.06784	1.8
211.07573	0.7
219.08110	1.7
221.05855	2.2
221.09502	0.5
222.06729	1.6
223.07553	3.2
224.08217	0.7
225.05513	2.2
225.09065	3.5
227.06998	6.4
228.07150	0.5
233.05966	1.4
234.06622	0.6
235.07509	2.4
236.04622	1.5
236.08246	1.8
237.09050	14.1
238.06242	0.7
238.09578	0.9
239.07042	0.9
240.07817	1.1
247.07515	1.1
248.08348	0.9
249.05522	2.6
249.09050	3.3
250.06291	1.1
250.09634	0.7
251.06985	4.7
251.10641	1.3
252.07602	0.6
253.05002	2.7
253.08562	7.9
254.09193	0.7
263.06927	2.8
264.07776	3.3
265.08566	28.1
266.05768	1.0
266.09003	1.7
267.06570	1.4
267.10153	1.9
268.07285	3.6
268.10721	0.9
269.08105	1.2
279.06531	4.1
279.10147	7.0
280.10898	100.0
281.08099	47.6
281.11270	7.6
282.08597	4.3
282.69531	0.4
283.09671	1.4
296.06863	4.6
296.10361	62.7
297.07620	0.8
297.10748	3.9
311.09079	52.5
311.12750	67.2
312.09424	5.0
312.13086	5.7
343.66547	0.5
356.14780	8.8
356.18539	68.2
357.15204	0.5
357.18857	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	356.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67683	0.7
58.06591	4.9
69.30521	3.1
69.30915	1.7
73.28284	0.7
140.83952	0.9
165.06955	0.8
191.08531	4.3
195.07785	0.8
207.08031	2.3
208.08794	2.6
209.09523	0.8
211.57735	0.7
218.07275	1.2
219.08061	5.5
220.08810	8.0
221.09581	2.8
223.11107	4.9
224.08313	2.1
226.65144	0.7
233.09581	3.3
234.06624	1.3
234.10425	0.8
235.07498	4.6
236.08269	16.1
237.08989	3.3
239.10652	3.1
247.07483	2.4
248.08282	1.8
249.09058	3.3
250.09915	2.9
251.06859	1.0
251.10625	21.5
252.07748	2.4
252.11011	1.4
261.09012	1.7
263.07114	1.5
263.10611	4.3
264.07770	2.8
264.11496	0.8
265.08334	1.9
267.10110	7.6
277.08575	3.4
278.09366	1.6
279.10123	42.5
280.07642	1.3
280.10715	7.0
281.08075	2.3
281.11520	1.3
282.12390	1.4
293.11761	1.0
294.12448	100.0
295.09683	39.5
295.12833	7.9
296.10229	5.0
298.12231	1.0
310.11929	47.5
311.12503	6.3
312.13004	0.8
313.13989	1.0
325.14288	61.7
326.14624	4.7
356.14542	1.5
356.18484	15.1
357.18665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.7
65.36781	0.6
73.33025	0.6
77.19097	0.5
82.58427	0.6
89.94492	0.5
96.36758	0.5
98.23490	1.2
135.83739	0.8
179.08490	0.9
189.06963	0.6
190.07692	1.0
191.08536	3.8
203.08525	1.1
206.07281	0.8
207.08000	3.2
208.08861	2.6
209.09613	0.7
217.06331	0.6
218.07286	1.0
219.08008	4.6
220.08786	6.3
221.09659	2.6
223.11131	3.7
224.08261	2.2
232.09000	0.6
233.09534	3.5
234.66637	0.6
235.07462	5.4
236.08290	15.2
237.08931	3.0
239.10629	3.9
247.07491	2.1
248.08337	1.9
249.09038	3.3
250.09821	2.0
251.10654	20.8
252.07846	1.7
252.11015	0.8
261.09088	0.8
263.07108	1.1
263.10635	3.1
264.07745	1.5
265.08804	0.7
266.09305	1.0
267.10132	6.8
277.08670	1.8
278.09290	1.0
279.10110	39.5
280.07504	1.1
280.10571	3.2
281.08212	1.1
281.11536	1.5
282.12341	1.1
293.11597	1.1
294.12457	100.0
295.09601	36.3
295.12845	8.8
296.09964	3.4
310.11942	51.2
311.12332	3.7
313.14127	0.9
325.14307	57.4
326.14725	4.3
343.30957	0.7
356.14499	0.9
356.18524	11.5
357.18600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19418	0.6
58.06594	6.3
68.84654	0.6
70.58822	0.8
77.23457	0.5
101.22739	0.6
157.92036	0.6
169.06091	0.6
191.08514	2.8
203.08449	0.9
207.08022	2.7
208.08820	2.7
209.09564	1.4
215.08109	0.7
218.07222	1.0
219.08000	3.4
220.08786	7.1
221.05864	0.6
221.09482	3.3
223.07507	1.1
223.11072	4.5
224.08305	1.4
233.09569	2.7
234.10057	0.6
235.07484	4.2
236.08287	13.6
237.08978	2.4
239.10605	3.7
247.07571	1.0
248.08263	1.2
249.09007	2.3
250.09784	2.1
251.10628	18.6
252.07843	1.9
252.10934	1.1
253.08620	0.6
261.09082	1.2
262.09732	1.4
263.10669	2.3
264.07736	2.3
264.10947	0.8
267.10135	6.9
277.08594	2.6
278.09348	1.6
279.10120	38.3
280.07486	1.3
280.10608	3.5
281.08102	2.1
281.11459	1.0
282.08322	0.7
282.12387	1.3
293.11682	1.5
294.12451	100.0
295.09598	36.2
295.12842	8.3
296.10065	3.5
310.11935	45.7
311.09268	0.7
311.12442	4.2
313.14362	1.7
322.41705	0.6
325.14288	57.9
326.14676	3.4
356.14825	1.7
356.18527	12.4
357.18741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1852
Annotation	Secoxanthoplanine
Peak:m/z	Relative Intensity
53.86521	0.7
56.55688	0.7
58.06591	100.0
66.63387	0.7
69.39897	3.5
80.92914	0.7
96.37672	0.8
102.10935	0.7
137.59756	0.8
150.68513	0.7
152.08441	0.7
178.07721	0.8
190.07751	0.8
191.08472	3.8
194.07323	0.9
195.55710	0.7
203.24133	0.8
205.06462	1.2
206.07251	1.5
207.08025	2.3
208.08797	2.4
210.06726	0.7
218.07280	0.8
219.08015	4.7
220.08760	1.9
221.05928	1.2
221.09595	1.5
222.06677	1.4
223.07545	0.8
223.11115	0.8
225.09097	2.6
227.07024	1.0
231.08035	0.9
233.05940	1.5
233.09595	1.2
234.06856	0.8
235.07513	4.1
236.08273	10.1
237.09053	10.7
238.06192	2.1
247.07452	7.0
248.08308	12.8
249.09164	3.7
250.09810	2.2
251.06909	1.6
251.10588	4.9
253.08588	7.5
261.09058	1.0
263.07037	3.0
264.07736	16.5
265.08548	24.7
266.09070	2.1
267.10150	1.8
268.07068	0.8
268.10901	0.9
278.09259	1.2
279.06888	1.1
279.10104	32.0
280.10892	50.9
281.08093	26.9
281.11371	3.6
282.08405	2.1
283.09900	0.9
295.09625	0.9
296.07104	1.3
296.10352	34.9
297.10861	2.1
298.11938	1.3
311.09094	7.7
311.12631	45.3
312.09662	1.1
312.12888	3.5
313.14282	3.0
338.21359	0.9
356.15079	4.6
356.18503	92.9
357.18793	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	356.2215
Annotation	Spirasine I
Peak:m/z	Relative Intensity
55.01855	0.4
56.05020	0.5
57.03424	0.4
58.06591	4.9
64.92432	0.3
65.13101	0.3
67.05502	0.6
69.03423	1.2
70.06574	0.7
71.05003	0.3
71.45476	0.4
72.08147	1.1
79.05486	0.4
81.03413	0.8
81.07048	0.3
84.08120	0.5
85.02882	2.0
85.06522	0.5
86.09689	0.8
86.20914	0.3
87.00816	0.8
91.05415	0.4
93.00103	0.3
93.07039	0.6
95.04942	0.8
95.08593	0.5
97.02877	0.8
98.09692	2.0
105.01852	1.2
105.07011	0.5
109.02879	0.6
110.07105	0.3
117.05457	0.4
117.07007	0.3
121.01633	0.3
121.06536	0.6
122.09647	2.8
123.04488	0.3
124.11222	0.4
127.03878	0.8
129.07008	0.6
131.08582	0.6
137.05995	0.3
140.10713	0.4
140.57510	0.3
141.06995	0.4
143.08569	0.6
145.04962	0.6
145.10103	0.4
147.10445	0.4
152.14456	0.3
155.08478	0.5
157.10069	0.5
159.10149	2.2
160.11049	0.4
164.07088	1.1
165.06993	0.3
166.04996	2.3
169.10159	0.6
176.03410	0.4
177.11195	0.4
179.08553	0.5
180.13789	0.8
181.10092	0.3
186.12714	0.8
188.14294	0.3
192.02887	0.8
193.10187	0.5
194.04465	1.0
194.08090	0.6
195.11531	0.3
200.10580	0.4
220.05919	0.5
231.05020	0.6
234.07385	0.4
240.13954	0.4
242.08099	0.3
245.06856	0.4
245.17851	0.4
246.07762	0.6
258.14865	1.1
260.09052	0.4
268.13397	0.4
269.56732	0.3
288.08603	2.8
296.16418	1.4
299.18823	0.5
306.09653	1.0
324.10815	2.5
328.22470	0.3
338.21143	2.0
356.22147	100.0
357.15277	0.7
357.22491	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04210	1.3
53.03936	3.1
55.05503	100.0
57.07067	3.7
58.06589	14.9
67.05492	10.2
69.03401	1.9
69.07059	6.4
69.39651	3.9
69.40059	2.9
70.06571	2.2
71.04974	5.9
79.05495	7.9
81.07043	9.8
83.08611	37.3
83.41837	1.4
85.06523	4.9
88.07605	1.5
89.22116	1.3
91.05460	18.2
93.07020	8.6
95.04949	2.4
95.08583	9.2
97.06516	1.5
97.10130	1.4
103.05460	1.7
105.07019	24.5
106.08689	2.0
107.08591	5.9
108.81475	1.4
109.10129	4.1
111.08053	3.8
115.05504	2.0
116.12685	1.3
117.07011	13.3
119.08556	17.0
121.10128	3.1
122.83787	1.3
123.08020	2.7
128.20284	1.2
129.06955	3.3
130.07768	4.7
131.08545	10.6
133.10115	12.6
135.07991	1.9
135.11624	1.7
137.09599	2.3
143.08519	4.8
145.10103	22.4
147.08025	3.7
147.11684	9.1
149.09587	5.4
151.07523	2.5
155.08540	1.6
157.10130	5.8
159.11703	9.8
161.09622	2.0
161.13260	4.8
165.09105	7.1
169.10133	2.5
171.11673	3.6
173.11858	1.3
173.13162	7.4
177.12712	4.3
180.56856	1.3
181.10158	1.6
183.11647	2.2
185.13245	3.0
187.14743	2.8
189.09113	1.9
189.12646	1.8
201.16408	1.9
201.57280	1.5
203.14333	2.9
215.17880	2.1
221.15306	9.5
252.01808	1.6
257.18967	4.2
273.18329	1.7
275.19998	14.6
277.18008	4.7
280.10596	3.1
286.19263	3.5
287.20026	2.0
294.12177	1.5
295.12689	7.7
296.09882	3.0
311.12216	3.7
326.14670	3.3
340.22501	4.7
357.14880	3.9
357.18710	3.4
357.24060	6.1
357.27844	59.8
357.35355	4.5
358.23718	3.7
358.28113	3.5
358.36710	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	357.2994
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03930	4.1
55.01865	2.6
55.05504	72.8
57.03432	15.0
57.07067	48.7
58.06593	11.2
59.05017	2.1
64.53149	1.9
65.03913	2.1
67.05496	80.0
68.05837	3.2
69.07058	100.0
69.19444	11.2
70.06586	8.3
71.04978	4.9
71.08629	27.6
72.08142	2.3
73.06537	3.0
78.41975	2.3
79.05479	57.8
81.07047	90.1
82.07372	3.1
83.04987	3.4
83.08607	72.2
85.06528	5.6
85.10173	13.7
88.07620	11.4
89.07939	2.4
91.05473	8.3
93.07030	62.4
95.04942	3.3
95.08594	91.5
96.08906	2.0
97.06522	33.4
97.10151	41.1
98.10517	1.9
99.08100	3.5
99.11701	2.0
102.09157	2.8
103.03916	2.3
105.07010	6.5
106.08691	4.6
107.08571	49.8
109.10148	45.7
111.08072	13.7
111.11688	14.0
115.07550	2.9
119.08552	2.0
121.10125	97.3
122.10476	5.1
123.11700	17.9
125.09631	6.9
125.13253	3.6
129.09166	2.4
129.94101	1.8
131.08629	1.6
135.11674	75.1
137.13237	7.9
139.11165	6.8
143.14345	1.9
145.10072	1.8
149.13251	31.0
149.48950	1.9
151.14809	8.9
153.12723	3.0
163.14772	13.9
165.16345	8.5
167.14339	5.1
177.16368	8.3
181.15872	3.2
183.17407	2.4
191.17899	6.1
194.30174	2.2
195.17543	2.6
205.19438	2.6
209.18823	2.3
247.24174	72.7
248.24556	4.4
265.25244	59.2
266.25604	3.7
283.26205	3.6
295.12842	2.3
339.28915	45.4
340.22733	8.9
340.29346	3.4
357.30508	4.1
357.35513	36.4
358.23871	9.2
358.36801	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	8.8
66.58537	1.2
70.55424	2.3
73.47184	1.1
77.22823	1.0
98.23402	1.3
167.08508	1.9
178.07809	1.3
191.08540	2.0
195.08037	5.2
205.06450	2.1
206.07185	1.5
207.08015	2.6
208.08812	2.1
209.09650	1.7
211.07564	2.0
213.56030	1.2
220.08830	1.5
221.05948	3.2
222.06776	2.8
223.07503	4.8
224.08162	2.1
225.09056	4.9
233.05830	1.7
234.06664	1.3
235.07541	2.9
236.08333	4.1
237.09048	27.1
238.06232	1.4
239.06885	2.0
240.07777	10.1
247.07616	2.2
248.08090	1.8
249.05383	3.0
249.09021	3.3
251.06964	7.4
251.10785	6.4
252.07822	4.0
253.08569	19.7
255.10104	21.9
256.10535	1.3
263.07053	3.6
264.07736	3.6
265.08566	51.4
266.09009	2.9
267.06476	3.1
267.10043	7.3
268.07123	1.6
279.10107	14.4
280.10898	86.4
281.08121	41.3
281.11282	8.0
282.08597	6.6
282.11218	2.4
283.09589	35.2
284.10046	2.3
294.11270	3.4
295.09445	3.1
296.10373	55.6
297.07745	2.2
297.11111	22.6
298.11954	66.2
299.12466	8.8
304.30521	1.4
309.10602	2.1
309.13766	2.4
310.11487	1.3
311.12720	100.0
312.09805	1.8
312.13092	5.6
313.13327	1.9
314.10620	1.5
323.12863	1.9
326.06641	1.4
327.12204	4.0
340.15396	8.4
340.22528	8.4
341.13440	2.1
358.12662	9.2
358.16455	18.3
358.23541	8.5
359.16901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93664	0.9
54.22141	0.8
58.06598	6.1
60.04511	4.1
61.17619	0.8
69.27418	1.8
69.27821	2.8
83.43893	0.8
85.30092	0.9
98.38392	0.8
153.43762	0.9
156.99397	1.0
165.06967	2.2
167.08617	1.1
178.07802	1.9
179.08461	2.1
189.06905	1.9
190.07738	2.8
191.08484	2.9
193.06447	2.0
195.08038	1.2
196.08757	0.9
198.24867	0.9
205.06424	5.0
206.07152	2.8
207.08006	13.5
208.08871	6.3
209.09500	1.0
211.07533	1.1
219.08000	3.4
220.08797	17.0
221.05969	4.3
221.09421	1.6
222.06749	1.4
223.07455	1.5
224.08319	2.3
225.09062	2.2
227.10608	1.9
233.05954	2.4
235.07526	8.0
236.08275	12.6
237.08934	3.7
239.06798	1.2
239.10606	3.6
240.07903	5.4
240.09941	0.8
247.07491	1.3
248.08371	5.9
249.05418	1.4
249.09016	1.8
251.10634	65.2
252.07780	1.9
252.10960	4.8
253.08566	2.9
254.09271	5.2
255.10095	17.5
256.10413	1.3
264.07770	5.6
265.08582	5.9
267.10156	6.4
268.10886	3.1
277.08493	2.1
279.10107	100.0
280.10684	10.6
281.07983	5.3
281.10815	1.4
282.08755	6.3
282.11441	1.7
283.09592	38.3
284.09848	1.2
295.09650	4.2
296.10349	10.6
297.11121	15.9
298.11929	46.0
299.12390	4.4
308.12805	1.0
309.13638	1.4
310.10709	2.2
311.12695	40.5
311.16354	2.0
312.13019	3.6
325.12891	3.3
327.12143	4.6
340.15567	5.5
340.22629	10.9
341.13361	1.2
358.12280	1.5
358.16327	20.8
358.23474	14.1
359.16638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1645
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
53.21868	0.2
54.36719	0.3
54.60130	0.2
56.05035	0.9
57.05820	0.5
58.06592	100.0
59.06926	0.9
66.36736	0.3
69.38036	0.6
69.38437	1.0
70.06580	1.3
72.08146	10.7
72.25318	0.3
74.06067	3.8
80.67327	0.3
85.02919	0.5
86.09688	0.2
114.19656	0.2
138.53578	0.3
177.58102	0.3
181.06497	0.3
184.05211	0.7
199.07475	0.5
212.04730	0.7
214.94986	0.3
223.03995	0.4
227.06940	2.5
237.05519	0.3
255.06573	1.2
259.09671	0.5
265.08771	0.3
285.11227	1.3
287.09134	4.9
338.45700	0.3
340.22644	0.5
358.16431	16.2
358.23337	3.2
359.12906	0.7
359.16843	1.7
359.23761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01866	0.4
56.96559	3.9
57.03422	0.6
58.06594	28.8
61.02902	1.0
65.03921	0.8
67.05466	0.4
69.03420	3.0
70.06561	1.2
70.93505	0.7
71.04951	0.6
72.08134	1.2
73.02888	0.6
81.03394	1.2
84.08127	1.4
85.02896	4.4
86.09699	1.7
87.04451	1.1
90.96915	0.3
91.05466	21.2
95.04955	5.4
97.02868	2.3
98.97568	7.0
99.04479	0.4
102.96906	0.3
105.07004	0.7
108.08122	0.4
110.07104	0.4
110.97546	0.7
115.05413	0.4
116.98607	3.9
119.04928	19.2
120.05209	0.6
121.06462	0.6
123.06791	1.6
123.08057	0.8
127.03898	1.0
128.98590	1.0
130.93271	0.9
131.38965	0.3
132.08084	0.9
133.06454	0.9
134.99570	0.9
136.05183	2.7
137.05978	2.8
143.04933	1.1
145.04929	0.5
146.63596	0.4
146.99619	0.5
148.07581	1.6
149.05943	0.5
150.05460	0.4
150.09114	1.2
151.07520	100.0
152.06783	0.4
152.07967	2.8
154.93266	0.7
158.92752	0.4
160.07590	1.3
161.01212	0.4
161.05960	1.7
172.94313	3.4
175.11826	0.4
176.06999	0.6
176.97270	0.6
177.00636	0.4
178.08611	7.8
179.07018	1.4
183.14803	0.4
186.99039	0.4
190.95363	2.6
191.95457	0.4
196.03799	0.7
196.09657	22.3
196.13309	22.7
197.10014	0.6
197.13676	0.9
201.60178	0.4
208.96413	0.9
214.95375	2.0
219.01842	0.5
232.96457	4.8
233.96730	0.5
237.02538	0.6
244.02007	0.4
245.05028	0.6
250.97449	1.9
256.96530	0.6
256.99854	0.4
258.99948	0.6
261.99686	0.4
274.97440	4.2
275.00546	0.7
275.97900	0.7
277.49136	0.4
278.96841	0.7
286.02847	0.4
292.98584	1.4
294.18530	0.4
298.10565	0.5
299.01022	0.4
304.03976	0.8
315.95712	0.4
316.95258	0.5
332.03699	0.4
333.96582	0.5
340.13919	0.5
340.22650	1.6
357.96793	0.6
358.11185	1.5
358.14896	7.0
358.18661	51.3
358.23660	3.0
359.14487	0.6
359.18948	2.1
359.24017	1.3
364.06702	0.4
375.97754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2371
Annotation	Spiramine D
Peak:m/z	Relative Intensity
56.05034	3.1
58.06594	4.7
67.05450	0.6
68.28216	0.5
69.89275	0.4
69.89924	1.4
70.06555	0.4
72.08111	0.9
79.05441	0.9
81.07001	0.8
86.10010	0.5
91.05428	1.1
93.06991	1.2
95.08564	0.9
98.09704	2.8
104.35215	0.4
105.07004	2.8
107.08546	0.5
110.09631	1.0
117.06953	1.3
119.08514	1.3
121.06460	0.7
129.06947	1.3
131.08519	1.1
133.10089	0.8
141.06927	0.5
141.16002	0.4
143.08482	1.9
145.10037	1.4
147.11595	0.8
154.07765	0.4
155.08475	1.3
155.09721	0.5
157.10072	1.3
159.11594	0.5
167.08495	0.9
169.10068	2.1
171.11641	2.5
179.08553	0.5
181.10049	1.4
183.11601	0.9
185.09488	0.4
185.13278	1.0
195.11667	0.8
197.09653	0.5
197.13271	0.5
200.14259	1.1
208.88538	0.5
209.09608	0.5
209.13164	0.8
214.15855	1.0
223.14774	0.5
235.14745	0.8
237.16331	0.5
251.17986	0.5
322.21533	1.0
340.22662	86.6
341.22974	8.8
358.23712	100.0
359.24026	7.2
372.87994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79324	0.1
55.05498	0.3
56.05021	0.2
56.23425	0.1
57.07070	8.2
58.06588	1.2
60.04522	0.2
62.06081	0.4
67.05511	0.1
68.05014	0.3
69.07056	0.3
69.22373	0.4
69.22778	0.3
70.06583	15.3
71.06917	0.2
71.08622	3.5
72.08138	0.2
77.69244	0.1
80.19341	0.1
81.07026	0.1
83.08633	0.3
85.10168	1.7
86.06047	0.3
86.14082	0.1
87.04459	0.2
88.07619	17.9
89.07934	0.3
93.21259	0.1
98.22687	0.2
101.84383	0.1
102.09165	4.9
105.07053	0.2
106.08653	9.6
108.09031	0.1
128.48682	0.1
145.30174	0.1
271.17490	0.1
295.83484	0.1
296.33051	0.4
314.34177	0.7
340.22678	1.8
340.35693	6.5
341.22748	0.3
341.36115	0.7
358.24435	2.4
358.36731	100.0
359.23990	0.3
359.37079	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	358.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	14.3
69.42830	6.9
88.50668	1.9
98.97577	100.0
99.97932	2.0
110.53075	1.7
116.97784	2.3
116.98616	45.3
116.99393	3.1
121.46477	1.7
130.93318	3.8
134.99661	13.2
140.00163	1.8
171.05502	2.0
172.94327	28.8
174.97688	7.2
189.39388	2.2
190.95390	24.1
192.94849	2.9
192.98752	6.8
198.97639	2.5
208.96533	6.5
214.95401	15.9
216.98672	30.0
218.98244	2.9
232.93166	4.3
232.96465	72.4
233.96840	3.3
234.96037	9.5
234.99695	43.3
236.99911	4.4
250.94257	4.9
250.97522	39.8
251.98047	3.1
252.97263	8.1
256.96582	18.1
258.01401	1.8
258.99783	14.0
268.98859	1.9
274.94492	3.1
274.97571	45.7
275.97928	4.0
276.97784	3.8
277.00708	21.1
278.00977	2.3
278.97156	2.7
280.96710	2.1
292.95203	8.6
292.98706	15.6
293.99100	3.1
298.97781	41.3
299.01224	2.6
299.98010	5.8
301.01212	2.2
316.95258	19.5
316.98886	67.0
317.95786	2.2
317.99072	5.8
334.96240	26.4
334.99893	2.6
340.22705	3.7
340.98770	30.2
341.23239	2.4
341.98877	2.8
352.97031	3.2
358.23825	5.0
358.96326	6.1
358.99939	60.2
360.00064	7.2
376.97113	25.2
377.01511	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	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03936	1.4
55.01863	1.0
56.05028	1.1
57.03410	3.3
58.06329	1.3
58.06594	15.2
59.06923	1.1
61.02903	3.1
67.05496	2.6
69.03418	8.1
69.18796	5.3
69.46008	0.8
70.06612	0.8
72.08150	1.1
73.02918	1.3
77.01447	0.9
79.05485	2.2
81.03386	5.0
81.07036	2.4
85.02892	32.7
85.03404	1.7
91.03973	1.3
91.05447	6.5
93.07031	7.7
95.04960	3.7
95.08595	1.6
97.02896	7.7
99.04435	1.0
102.89140	1.0
105.07007	9.4
107.08574	21.2
109.02861	2.9
109.06509	2.2
109.10166	1.7
117.06934	1.3
119.08560	3.0
121.06479	3.6
126.60002	1.2
127.03894	6.4
133.10109	26.8
135.11673	23.1
135.12646	1.9
137.05992	2.0
137.09618	1.1
141.06953	1.0
143.08553	1.1
145.04932	5.2
145.10132	1.7
151.11153	2.5
161.09601	11.0
166.04935	1.1
167.07104	1.1
170.10313	1.1
179.10637	40.9
180.11000	1.5
181.01065	1.0
188.67395	1.1
190.08582	1.9
195.08051	0.9
197.11694	100.0
198.12061	4.1
199.07570	1.1
212.04692	3.2
213.05386	1.3
221.05968	1.1
223.03830	1.6
227.06987	1.3
237.05457	1.4
238.06258	2.0
240.04105	1.0
241.04886	1.8
250.09271	1.0
253.08600	3.1
254.05707	2.3
255.06476	30.8
278.08902	5.1
297.07556	1.6
300.06213	13.1
310.11740	1.8
315.08575	64.9
328.04572	1.8
340.22720	2.8
341.22986	44.1
342.24350	4.6
345.13217	0.9
358.23724	4.2
359.17487	6.5
359.24033	56.1
360.10275	1.7
360.14368	15.8
360.21292	1.3
360.25208	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	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03937	0.6
55.05505	0.7
57.03416	0.7
58.06598	4.6
59.06904	0.8
59.20632	0.6
61.02905	1.5
69.03417	2.5
72.08154	0.9
73.02888	0.8
77.79836	0.5
79.05471	2.2
81.03395	1.2
81.07048	1.6
85.02887	8.0
86.09674	0.6
87.04483	0.6
87.27402	0.5
88.61604	0.5
91.05472	4.3
93.07030	5.4
95.04965	0.7
95.08575	1.5
97.02866	2.2
99.04430	0.5
105.07014	7.1
107.08578	30.7
108.08868	0.7
109.02858	0.9
109.06499	1.1
109.10149	1.8
119.08549	4.9
119.33624	0.5
121.06471	0.6
121.10094	5.4
121.10772	0.6
123.04284	0.6
123.11678	0.7
125.09577	1.2
127.03885	1.4
131.08533	1.0
133.06424	0.6
133.10112	18.0
134.10352	0.6
137.05907	1.1
137.09570	0.8
139.07533	1.8
140.34964	0.5
143.08531	0.8
145.04884	0.8
149.09576	4.0
151.07494	0.6
151.11143	7.4
161.09628	4.0
167.10643	11.9
168.10901	0.8
179.10631	14.1
197.11696	100.0
198.12068	4.1
237.12291	0.5
253.08499	0.8
255.06496	3.0
259.91891	0.5
267.09003	0.8
268.09457	1.0
282.11310	1.1
283.08731	1.1
283.11798	3.2
284.08936	2.3
285.74448	0.6
298.11075	0.8
299.11404	2.7
300.06158	1.0
313.13507	0.9
314.13647	4.0
315.08536	7.8
341.22913	3.6
342.23920	0.8
355.03049	0.6
359.15433	0.9
359.19272	4.7
359.24005	5.1
360.14221	2.6
360.25565	3.0
377.07257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23014	1.3
53.03947	2.8
54.74750	1.5
55.05508	100.0
56.05841	1.6
56.99544	1.3
58.06590	2.0
59.29963	1.4
67.05499	10.9
69.07062	3.1
69.48371	6.8
79.05486	16.6
81.07052	12.0
83.08617	48.8
91.05476	6.0
93.07034	22.8
95.08597	9.5
105.07019	7.1
106.30855	1.5
107.08569	14.3
109.10157	5.8
111.01662	1.6
114.06391	1.6
119.08584	4.8
121.10163	7.8
131.08578	2.2
133.10117	5.3
135.11678	12.5
136.12007	1.6
145.10158	2.1
147.11647	2.5
149.13235	8.2
159.11650	2.1
161.13277	3.1
163.14793	2.3
175.14806	1.7
213.16454	1.4
241.19386	1.9
275.19989	2.8
277.21597	12.9
341.23114	1.9
359.24026	4.4
359.29297	7.6
359.37152	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	360.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81133	0.3
62.24768	0.3
67.03060	0.3
69.97251	0.5
69.97581	0.4
75.38028	0.3
79.05570	0.3
95.04951	1.2
98.23431	0.3
122.06001	1.2
123.04425	0.9
135.04379	0.6
136.03914	0.6
164.03409	0.5
168.04242	0.6
169.05205	0.4
170.06020	0.6
172.07304	0.4
175.06248	0.3
183.06738	0.6
184.03963	0.4
184.07573	0.8
185.05943	0.7
186.05444	1.8
187.06204	0.4
188.06952	0.4
197.04697	1.0
198.05455	1.8
199.06241	4.5
200.03476	0.6
200.07079	1.9
201.07779	1.5
202.04947	2.6
203.03331	2.0
209.04671	1.9
210.05409	1.1
211.06248	1.1
212.07080	2.2
213.05563	0.7
213.07819	0.8
214.04898	2.7
214.08539	0.4
215.05714	0.9
216.06573	0.4
225.04211	0.6
226.04996	2.1
227.05751	6.9
228.06474	3.5
229.07278	3.5
230.04588	0.6
237.04196	1.4
238.04790	0.4
239.05714	1.8
240.06493	3.6
241.07210	1.7
242.04388	3.0
242.08032	1.2
244.09633	0.4
246.05156	0.9
254.04472	3.0
255.05182	3.6
256.06024	4.8
257.06827	4.3
258.07269	0.5
259.04480	0.5
261.07507	1.5
267.05286	0.5
268.05972	0.8
270.03970	2.0
270.07327	0.5
271.08392	0.7
272.05499	8.7
272.09067	2.2
273.05655	0.4
283.04742	1.1
284.05444	2.1
285.06290	5.3
286.06781	0.5
288.05048	0.8
296.05637	0.4
298.03760	0.4
298.07086	0.6
299.07779	0.3
300.05524	0.4
300.08511	1.7
301.05780	0.4
313.05759	11.3
314.06104	0.7
315.08517	0.6
316.04437	0.4
328.08099	100.0
329.08450	7.0
331.06827	1.3
343.87793	0.4
360.10742	0.6
360.25296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02680	0.8
52.51082	0.6
55.01860	1.4
56.05019	1.1
57.03428	2.4
58.06592	29.7
61.02920	3.0
61.67926	0.6
69.03426	6.0
70.72043	1.2
71.04978	1.1
72.08133	3.5
73.02913	1.1
79.05498	1.1
81.03407	2.3
81.07040	1.5
84.08127	1.7
85.02395	1.3
85.02896	24.5
85.03413	1.3
86.09692	1.1
91.03941	1.1
91.05480	1.4
93.03395	1.9
93.07047	1.2
95.08592	1.3
97.02872	6.6
98.09679	1.2
99.04462	1.7
105.07009	2.2
107.04930	1.3
107.08564	0.9
108.14821	0.6
109.02853	1.3
111.04427	6.0
117.03254	0.6
127.03907	4.9
129.06972	1.1
131.08502	1.5
135.04404	8.9
136.03964	0.7
137.05942	1.0
139.03891	17.5
141.06947	1.1
143.08522	1.0
145.04930	8.4
145.10133	1.5
148.11182	0.9
154.05023	0.8
155.08574	0.7
157.10156	1.1
163.03883	3.9
163.05980	1.1
166.04959	4.3
167.08585	0.7
173.13277	1.5
180.08690	3.0
181.04927	16.2
181.10095	1.7
182.05278	0.8
183.11716	0.9
195.11668	0.9
198.07542	0.9
223.46654	0.7
235.14876	0.8
258.18442	0.8
324.23151	2.9
342.20752	2.7
342.24219	57.7
343.24567	3.1
360.10703	1.3
360.14053	3.6
360.17932	5.8
360.25290	100.0
361.25671	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94344	0.7
58.06327	1.5
58.06596	17.6
62.10486	0.8
69.03418	1.4
69.07023	0.8
69.71235	3.0
72.08138	1.4
72.32822	1.0
76.60386	0.8
79.67974	0.8
81.07018	1.2
85.02905	2.8
86.09686	2.8
91.05468	2.0
97.02853	1.0
98.22678	1.0
105.07018	1.0
106.81010	0.9
107.05002	1.2
121.02814	1.8
128.06180	1.3
133.02840	1.6
135.04422	1.3
141.07016	1.3
143.08502	1.0
144.98651	0.8
146.28610	0.8
149.02319	51.5
150.02681	1.5
153.06998	0.9
154.07713	1.0
155.08495	0.9
163.03877	33.9
164.04230	1.5
165.07033	1.8
167.07060	1.0
168.05655	1.6
169.06509	1.3
171.08037	1.4
171.11729	0.9
181.04929	7.6
182.07336	1.0
184.05241	2.2
193.06465	2.0
193.08658	0.7
195.04391	1.7
195.08044	1.5
197.05913	1.8
199.07434	1.0
210.06834	2.5
211.07335	1.0
212.04623	7.5
213.05447	3.0
222.06880	1.3
223.03947	3.0
225.09207	1.2
227.03363	2.3
227.07036	4.8
228.07765	1.1
238.06212	5.1
240.04182	1.8
241.05055	4.6
253.08492	5.3
254.05722	4.8
255.06494	57.5
256.06900	3.9
284.12909	1.0
297.07645	3.9
299.09180	1.9
300.06274	22.8
300.09531	1.7
301.06613	1.3
315.08569	100.0
316.08865	6.7
319.48569	0.9
341.22910	5.0
342.24078	9.1
359.24005	5.6
360.14343	24.2
360.22198	1.8
360.25259	30.9
361.25662	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42082	0.3
58.06340	0.5
58.06595	6.9
72.08138	0.8
83.38604	0.3
89.22591	0.3
98.22690	0.6
128.06203	0.8
141.06960	1.2
142.07538	0.4
152.06151	0.5
153.06932	0.9
154.07774	0.4
155.08528	0.6
156.05675	0.7
165.06938	1.7
167.04874	0.5
167.08539	1.0
168.05699	1.4
169.06480	1.7
171.08057	1.7
179.08594	0.5
181.06432	0.7
182.07211	0.9
183.08008	0.5
184.05167	1.8
185.05963	0.9
193.06555	2.2
194.07166	0.8
195.04381	1.6
195.08012	0.8
196.05159	1.2
197.05933	2.2
197.09648	0.4
199.07483	1.5
208.05113	0.4
209.05899	1.0
210.06694	3.1
211.07529	0.6
212.04633	7.2
213.05418	2.9
220.05083	1.0
221.05968	1.3
222.06699	0.5
223.03891	3.6
223.07378	0.4
223.61279	0.3
225.05469	0.6
225.09088	1.3
226.06252	1.0
227.03409	1.5
227.06976	3.7
228.07608	0.5
229.08540	0.5
236.04637	0.8
237.05431	1.1
238.06200	5.7
240.04161	3.1
241.04939	3.7
242.05437	0.4
251.06972	0.5
253.08537	4.8
254.05739	4.3
255.06496	49.2
256.06863	2.8
272.06790	0.5
282.05280	0.6
284.06799	0.4
297.07480	2.9
300.06256	21.5
301.06540	1.6
302.88525	0.3
315.08578	100.0
316.08932	6.6
330.70361	0.4
342.23837	1.0
360.14362	21.0
360.25024	2.5
361.14664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22770	4.5
53.92794	4.6
55.01859	6.0
56.96551	15.1
57.03424	9.9
58.06594	100.0
58.20448	4.4
61.02916	5.5
69.03435	28.8
69.68151	4.2
69.79241	16.2
71.05011	4.1
72.08146	10.1
73.02906	5.9
77.34216	4.6
83.27210	4.0
84.08165	4.5
85.02898	91.6
86.09681	5.1
92.70169	3.9
97.02881	28.2
98.97580	13.1
99.04440	4.6
109.02864	7.8
127.03897	62.0
140.00171	7.2
144.14619	4.3
145.04953	51.3
159.10132	4.1
163.06013	18.2
204.01773	9.5
216.98689	19.0
222.02792	10.4
234.99742	4.3
236.18774	4.7
262.57309	4.2
269.56473	4.5
270.99686	13.8
289.00604	5.8
306.74774	4.3
324.22968	4.6
335.04736	5.1
342.20566	10.0
342.24237	49.2
360.10001	6.8
360.14209	40.3
360.18073	12.5
360.25241	86.9
361.01874	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	360.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05497	1.9
57.03420	1.5
58.06594	50.5
59.06920	0.8
61.02916	1.8
62.06080	3.9
67.05487	1.8
69.03418	2.7
69.07037	0.9
69.23819	0.5
69.47913	2.5
71.04954	0.7
72.08133	1.6
73.02897	0.9
74.52016	0.5
77.03928	0.5
79.05470	0.8
81.03411	1.9
81.07028	2.9
85.02895	13.2
86.09692	1.2
91.03936	0.9
91.05471	2.0
93.07022	2.5
95.04942	0.7
95.08604	2.0
97.02878	3.6
105.07010	3.5
107.04942	60.5
107.08586	1.3
107.49061	0.6
108.05253	0.8
110.22556	0.5
116.06013	0.6
116.10722	1.5
117.06999	1.6
119.08554	2.0
121.06474	2.1
127.03928	3.2
128.06123	0.9
129.06987	2.7
131.08566	2.6
133.10114	0.9
135.11736	0.9
137.05989	0.9
141.06953	3.7
142.07817	0.6
143.08536	2.5
145.04980	3.8
145.10101	2.1
147.07982	0.7
149.05954	15.5
153.06985	1.0
155.07274	0.6
155.08536	3.3
157.10071	2.1
159.07956	0.7
159.11601	1.0
161.05971	0.9
162.77103	0.6
165.06956	1.7
166.04936	0.8
167.04817	0.6
167.07014	1.6
167.08516	1.7
168.09152	0.8
169.06500	0.7
169.10075	2.6
171.08083	0.7
171.11678	1.8
173.13222	2.4
178.07788	1.1
179.08528	1.3
180.08614	1.6
181.06886	1.2
181.08585	21.0
181.10045	1.3
182.07242	0.9
182.08841	1.1
183.11649	6.3
184.05203	1.0
185.09586	0.8
185.13222	1.2
192.82985	0.7
193.06523	2.2
193.10127	9.1
194.07213	0.9
195.04453	1.0
195.11650	1.3
196.05193	0.8
197.05933	0.9
197.09619	0.8
197.13225	2.0
198.11243	3.7
199.07491	1.2
201.12357	2.1
207.11740	1.0
209.05896	1.1
210.06711	1.9
211.07442	1.2
211.11192	1.6
211.14758	2.9
212.04613	3.9
213.05388	3.6
214.18053	2.1
221.13266	1.0
223.03864	2.1
223.07463	0.9
223.14674	0.6
225.09055	1.7
225.12538	0.6
225.16246	1.1
226.06194	0.7
227.07095	3.3
237.05420	1.5
238.06248	3.4
240.04118	1.4
241.05008	3.7
241.08470	0.7
245.04462	4.6
253.08534	4.4
253.19479	8.9
254.05661	2.0
255.06497	28.6
256.06787	1.9
263.17917	2.6
281.18954	3.7
282.18488	7.7
287.05222	1.4
291.13272	0.8
297.07465	2.6
299.19974	1.5
300.06265	13.3
314.10806	1.0
315.08582	69.0
316.08905	3.8
342.24265	5.6
360.14346	51.1
360.25305	100.0
361.14774	4.8
361.25638	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	360.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
57.03408	0.3
58.06594	100.0
58.74256	0.3
59.06938	1.3
59.07202	0.3
60.93188	0.2
69.03423	0.6
69.51433	0.2
70.06602	0.3
70.11100	0.7
70.19846	0.3
70.34141	0.3
72.08146	4.5
74.06081	2.0
79.71616	0.3
81.07051	0.4
83.04980	1.0
85.02914	1.6
86.09671	0.7
97.02887	0.4
98.09705	0.7
98.97595	0.3
101.02340	0.3
116.37745	0.3
124.11185	0.4
127.03891	0.5
137.05956	0.3
145.05000	0.9
167.08516	0.3
169.06351	0.4
179.08600	0.5
191.08534	0.7
194.07259	0.3
197.05934	1.0
198.03506	0.5
199.02725	0.4
207.08049	0.3
209.09517	0.3
219.08194	0.5
222.06761	0.8
229.08498	0.5
237.09056	1.0
241.03760	0.4
249.26685	0.3
254.71605	0.3
261.11209	0.6
265.08575	3.7
270.66800	0.3
282.08847	0.8
297.07751	0.5
297.11166	5.3
298.11682	0.3
324.23453	0.5
342.17319	1.9
342.20602	47.2
342.24265	4.6
343.16919	0.4
343.20779	2.4
343.24316	0.3
360.08810	0.6
360.14236	1.7
360.17938	14.6
360.21667	4.4
360.25293	7.8
361.10727	0.4
361.14560	0.8
361.18329	1.5
361.25641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76495	0.8
58.06598	28.6
62.06086	1.6
67.05487	1.7
72.08148	1.0
74.06072	1.4
79.05498	0.8
81.07047	1.7
85.02913	1.1
86.09695	3.3
91.05466	1.8
93.07050	1.7
95.04939	1.1
95.08566	1.7
99.44939	0.7
105.03374	3.1
105.07022	2.0
106.03706	2.5
107.04957	0.8
107.08677	0.8
108.15675	0.7
117.06990	0.7
129.06996	1.9
131.08548	1.4
133.02844	2.1
137.05966	1.4
141.06981	2.5
143.08551	1.9
145.10143	1.2
149.96500	0.8
151.04013	0.8
152.06104	0.8
153.39728	0.9
155.08565	3.1
156.79144	0.7
157.10107	1.4
159.11697	1.1
165.07005	2.7
166.05029	1.1
167.08577	1.6
169.06383	1.9
169.10075	1.3
171.08040	1.1
171.11671	1.9
173.13264	1.9
179.08578	1.9
181.06494	1.3
181.10107	1.1
182.07152	0.9
183.11705	3.5
184.05283	0.9
191.08589	1.6
193.06487	2.2
193.10117	5.0
195.04419	1.2
195.08025	2.4
196.05057	1.1
197.05948	2.5
197.13243	1.1
198.11322	0.9
199.07524	1.3
205.06390	1.0
207.08058	1.5
208.08727	1.0
209.06041	1.6
209.09677	1.4
210.06784	2.8
211.07536	2.6
211.14809	1.6
212.04619	4.6
213.05479	2.9
219.07980	1.4
221.06050	4.1
221.09753	0.9
222.06746	1.8
223.03839	2.5
223.07542	1.8
225.09103	3.4
225.16260	1.2
227.03461	1.1
227.07007	3.3
228.07838	1.2
229.08510	1.0
233.06017	1.8
235.07507	1.8
236.08282	2.2
237.05437	2.1
237.09079	14.9
238.06201	3.9
238.09554	1.6
239.06960	1.8
239.13989	1.0
240.04245	1.8
241.04958	12.2
241.07443	1.0
241.08530	1.1
242.05524	0.9
245.04419	1.2
247.07501	1.0
248.08340	1.6
249.05385	1.2
249.09055	2.0
250.06343	0.9
251.07080	2.0
251.10556	2.3
252.07787	1.4
253.08562	12.3
253.19487	3.2
254.05721	3.1
254.09123	1.7
255.06503	39.2
255.09567	1.6
255.10103	1.9
256.06888	3.2
257.08075	1.0
263.06931	1.7
263.18097	1.1
264.07800	3.6
265.08582	30.1
266.09015	3.3
267.06555	2.3
267.10129	3.3
268.07251	5.1
268.10825	2.2
269.08002	1.6
279.10074	4.3
280.10913	51.4
281.08069	22.7
281.11264	5.0
281.18982	0.9
282.08694	5.8
282.18546	3.0
283.09634	16.9
284.10120	2.1
285.07672	2.0
296.10416	35.7
297.07434	2.6
297.10944	3.3
298.11874	5.1
299.09061	2.1
299.12677	2.8
299.20166	0.9
300.06259	18.3
300.09546	1.0
301.06555	1.4
311.12723	48.4
312.12991	3.2
314.11267	2.1
315.08594	100.0
316.08975	4.6
329.13821	23.3
342.17047	12.3
342.24030	8.6
360.14301	35.8
360.18066	23.5
360.25256	78.7
361.14563	2.7
361.18430	2.1
361.25662	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	360.253
Annotation	Spiraeaine A
Peak:m/z	Relative Intensity
52.33194	0.2
56.05040	0.3
58.06593	25.7
59.06908	0.3
60.08146	0.3
61.40319	0.2
65.19276	0.2
65.44782	0.2
67.05502	0.3
67.78542	0.2
69.03419	0.2
69.91156	0.5
69.91535	0.4
70.06591	0.2
72.08132	0.8
79.05481	0.5
81.07060	1.2
84.08125	0.4
85.02895	0.3
86.09685	0.5
91.05458	1.0
93.07034	1.1
95.04958	0.4
95.08588	0.5
95.21029	0.2
98.09673	1.3
105.07002	1.1
107.08582	0.7
110.09673	0.4
117.07009	0.8
119.08539	0.6
121.10073	0.3
122.09660	0.2
124.11189	0.4
127.03915	0.4
128.06230	0.2
129.07019	0.4
131.08510	1.1
133.06441	0.3
133.10199	0.3
135.08031	0.8
141.06960	0.5
143.08551	1.0
145.06525	0.3
145.10089	1.3
155.08530	0.9
157.10144	0.5
159.08064	0.2
159.11578	0.3
165.06993	0.2
166.05008	1.0
169.10066	1.3
171.11678	0.3
173.09613	0.5
177.09114	0.3
179.08467	0.2
181.10078	0.3
183.11761	0.4
185.09612	0.3
185.13065	0.2
191.05510	0.2
193.10101	0.3
195.11681	0.5
197.13016	0.3
207.11665	0.3
213.65953	0.2
217.10310	0.2
237.16483	0.2
240.06561	0.3
249.16315	0.4
255.08815	0.8
283.08554	0.3
301.09268	0.4
324.23056	1.3
342.24225	12.8
343.24619	0.9
360.10654	1.7
360.25262	100.0
361.13837	0.9
361.25604	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	360.2529
Annotation	Spiraeaine A
Peak:m/z	Relative Intensity
55.05455	0.6
56.04950	1.1
56.43407	0.4
58.06521	4.4
58.06831	0.5
62.79196	0.4
69.86737	0.4
70.09268	0.4
70.68525	0.7
72.08056	1.2
74.52634	0.4
79.05413	0.9
80.55437	0.4
81.06971	1.2
82.06462	0.4
84.08053	1.1
91.05397	0.9
93.06949	1.1
95.08509	1.0
98.09602	1.0
100.07458	0.4
105.06927	1.5
107.08523	0.6
110.09622	0.7
117.06901	1.2
117.07671	0.4
119.08485	1.1
129.06900	0.8
131.08438	1.7
135.07996	0.4
143.08455	1.2
145.06490	0.4
145.10020	1.3
147.11588	0.7
155.08479	0.8
157.10039	0.9
159.11668	0.4
167.08481	0.5
169.09999	0.9
171.11649	1.0
173.13283	0.5
181.10013	1.6
183.11659	0.9
193.10010	0.7
193.27791	0.4
195.11696	0.8
209.13235	1.0
219.11511	0.6
223.14793	0.6
230.18921	0.9
251.17674	0.5
258.18463	1.7
306.22147	0.5
314.24680	0.9
324.23184	4.1
325.23712	0.4
342.24228	79.4
343.24609	7.0
360.25287	100.0
361.25653	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	360.2528
Annotation	Spiraeaine A
Peak:m/z	Relative Intensity
55.05501	0.7
56.05018	0.5
58.06593	22.1
62.63179	0.2
66.68747	0.2
67.05508	0.5
69.03410	0.9
69.59879	0.4
69.60224	0.8
72.08138	1.6
73.06529	0.5
73.08500	0.2
74.06082	0.3
77.72772	0.3
79.05479	1.1
81.03394	0.5
81.07042	1.5
84.08134	0.5
85.02907	1.9
86.09675	1.5
91.05457	1.1
93.07035	1.0
95.08580	0.4
97.02876	0.6
98.09679	1.2
99.04498	0.3
101.06031	0.3
105.07017	1.6
107.08560	0.6
109.06545	0.3
110.09676	0.5
111.04441	0.3
117.07023	0.8
119.04897	0.3
119.08567	0.8
121.06480	0.3
122.09644	0.3
124.11243	0.5
127.03904	0.6
129.06990	0.6
131.08562	1.3
133.10127	0.4
135.04422	0.8
135.08055	0.8
136.60905	0.2
137.05956	0.6
139.03893	0.9
141.06947	0.4
142.07765	0.3
143.08519	1.2
145.04947	0.5
145.10121	0.9
146.55872	0.3
149.85223	0.2
155.08534	0.7
157.10103	0.9
159.08005	0.3
159.11638	0.4
162.05539	0.4
162.07559	0.3
163.03848	0.9
166.05008	0.8
167.08469	0.3
169.10121	1.2
171.11711	0.6
171.14859	0.3
177.09172	0.6
181.04948	1.8
181.10144	0.4
183.11745	0.4
193.10118	0.4
195.11639	0.5
198.07616	0.3
206.15375	1.0
207.11766	0.3
209.13152	0.3
226.08725	0.3
255.08969	0.6
270.07602	0.6
296.23605	0.3
301.09473	0.4
314.20996	1.4
316.11935	0.3
324.23151	1.1
342.13226	0.8
342.21042	0.6
342.24222	23.1
343.24594	2.0
360.10712	2.3
360.17856	2.6
360.25238	100.0
361.14499	0.4
361.18546	0.4
361.21439	0.5
361.25586	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	360.2529
Annotation	Corumdizinine
Peak:m/z	Relative Intensity
51.04308	0.2
51.84916	0.3
55.05507	0.5
58.06594	2.0
62.06086	4.2
67.05493	1.5
69.03399	0.3
69.07048	0.7
69.54896	0.6
69.55280	0.7
70.03765	0.2
72.08156	0.3
79.05479	1.2
81.07045	2.3
85.02898	0.4
86.09719	0.4
91.05476	1.6
93.07039	1.9
94.80401	0.3
95.08589	1.3
95.68945	0.3
98.22721	0.4
105.07011	3.4
107.04930	0.9
107.07863	0.3
107.08561	1.3
108.08884	0.4
109.10146	0.7
110.50804	0.3
115.05401	0.5
117.07021	1.2
119.08593	1.7
120.08930	0.3
121.06495	0.6
121.10117	0.7
128.06227	0.5
129.06982	2.6
131.08533	3.4
133.10088	1.2
135.08020	0.3
135.11667	0.4
141.06981	2.9
143.08543	2.2
145.06445	0.4
145.10092	1.7
147.07948	0.3
147.11696	0.5
153.06866	0.5
155.08534	3.8
157.10123	2.8
159.11668	1.4
161.13242	0.5
165.06960	0.6
167.08559	1.2
168.05829	0.3
168.09337	0.4
169.10103	2.3
171.07918	0.4
171.11685	2.3
173.13211	3.0
175.11108	0.4
175.14841	0.3
178.07756	1.5
179.08566	0.6
180.11087	0.5
181.08667	0.3
181.10114	1.2
183.11661	7.8
184.12061	0.4
185.13254	0.9
189.12625	0.3
193.10107	9.2
194.10632	0.3
195.11671	1.0
196.08875	0.4
197.11739	0.6
197.13251	2.0
198.12036	1.5
199.14809	0.4
201.12560	0.8
207.11678	0.9
209.13202	0.6
210.06731	0.4
211.11143	1.9
211.14769	2.8
212.04645	0.9
213.16290	0.4
221.13202	1.4
223.14803	0.6
225.12781	0.4
225.16272	1.6
227.06926	0.5
235.14844	0.6
237.16380	1.0
238.06290	0.6
239.17873	0.5
253.08627	0.5
253.19484	10.1
254.05751	0.5
254.19794	0.5
255.06493	4.4
256.06848	0.6
263.17953	3.1
281.19019	3.2
282.08340	0.4
297.07568	0.5
299.20032	2.0
300.06305	2.4
314.11133	0.6
315.08569	11.3
316.08936	1.0
332.11621	0.4
342.10507	0.4
342.24228	2.1
360.14487	2.6
360.25269	100.0
361.25580	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	360.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	45.7
58.06581	19.1
58.69614	9.7
61.68532	10.2
67.05494	73.3
67.57523	10.6
69.07072	25.8
69.09967	23.3
69.10374	61.3
71.04989	88.2
79.05487	86.8
81.07048	47.7
83.08604	23.5
83.62073	9.6
86.57388	9.5
90.38395	9.5
91.05474	30.1
93.07037	62.4
95.08598	36.8
97.06523	22.3
97.10152	24.3
105.07006	25.5
107.08573	46.8
109.10154	40.7
115.97878	10.7
119.08570	13.9
121.10110	79.6
125.09648	18.7
125.95760	9.6
133.84923	11.0
153.12737	31.5
155.04945	11.6
155.10701	20.0
158.07458	10.6
173.11694	100.0
175.60509	11.3
189.11227	27.1
258.00491	11.7
275.20023	42.7
315.08508	36.1
324.38730	11.6
328.06317	17.8
342.24234	38.4
360.25104	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26874	3.5
51.52898	4.0
55.05501	21.7
61.39741	4.1
67.05492	34.2
69.07054	16.2
69.63863	13.6
71.04992	33.9
73.06544	6.3
77.12269	4.8
79.05476	28.8
81.07038	18.4
82.12286	3.9
82.96272	4.3
83.04937	4.4
83.08591	7.9
83.39660	4.3
87.08099	4.4
91.05469	9.2
93.07037	34.8
95.08592	13.7
97.06522	6.6
97.10155	12.0
98.23408	5.0
104.07777	4.2
105.07034	12.2
107.08569	24.0
109.10160	19.8
119.08524	5.3
121.10133	30.0
121.83622	3.6
125.09599	14.3
133.10129	7.6
135.74400	4.1
137.56375	4.9
145.10072	4.9
153.12708	23.0
155.10635	11.7
173.11717	42.9
189.11232	12.8
206.60013	3.8
217.12335	3.6
239.62172	4.4
275.20032	16.4
300.05844	4.1
360.25253	5.8
361.19824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.7
58.06594	46.0
69.03429	3.8
71.44111	3.4
74.06060	4.6
79.05463	4.7
81.07040	3.8
85.02931	4.1
87.04478	3.4
91.05462	16.3
92.44392	3.5
93.07035	4.7
95.04971	6.0
97.51611	3.3
98.54372	3.9
105.03381	3.5
105.07004	4.6
107.04951	11.8
119.04956	6.9
121.06493	7.5
122.03605	4.2
128.06197	4.4
129.06967	5.0
131.04944	5.0
133.02861	21.2
137.05952	43.6
147.04465	4.1
149.05986	8.2
151.07535	32.0
161.05978	37.8
161.09583	9.3
163.07552	10.0
165.05408	4.6
165.09081	4.6
167.07018	8.1
167.08476	5.4
169.06384	4.0
174.06775	5.3
181.08617	8.0
189.09099	30.0
193.06560	4.0
195.08081	5.0
197.09828	3.7
200.12852	8.5
207.10135	20.3
210.06595	4.6
211.07437	4.3
213.05228	4.6
223.07477	5.4
227.10693	6.3
242.05344	4.6
253.08519	9.4
253.12244	6.9
254.08841	5.3
254.57054	3.5
255.06415	11.8
255.10132	7.2
256.06805	44.4
256.09607	4.6
283.18796	5.1
285.11139	5.4
287.12848	16.9
300.09485	5.9
301.06598	18.4
313.14285	8.4
315.08527	13.3
315.12070	5.1
316.08923	98.1
317.13507	3.7
343.24484	7.8
344.25842	21.6
360.25009	6.6
361.14673	35.5
361.21582	6.0
361.25595	39.1
362.22571	6.8
362.26801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02337	1.6
53.03918	2.2
55.01855	2.4
55.05487	1.7
58.06583	5.5
58.92258	1.7
69.69622	4.1
69.84337	1.6
70.68412	1.3
77.03896	2.3
79.05478	17.2
81.07033	4.5
83.59683	1.3
91.05468	29.0
93.07037	13.2
95.04958	11.1
95.08571	2.6
98.22738	2.2
103.05446	11.8
105.03344	1.9
105.04471	3.3
105.07021	15.1
107.04942	35.3
107.08571	3.3
109.06510	4.1
111.04420	2.8
115.05432	4.3
117.06997	6.1
119.04924	5.7
119.08540	1.6
120.05685	3.6
121.06483	20.2
122.03614	2.9
123.04432	8.7
124.05203	5.0
125.05959	4.5
128.06224	11.5
129.06984	28.7
131.04924	9.2
131.08560	14.1
133.02823	3.3
133.06447	3.4
135.04372	4.2
135.07970	9.1
136.05054	1.9
137.05948	17.7
137.09666	1.5
139.07500	1.5
140.04640	1.8
141.06886	1.8
145.06454	6.9
146.03574	2.0
147.04381	5.3
147.07977	2.8
148.05164	3.6
149.05925	6.7
151.03839	3.5
151.07521	17.7
152.04645	3.7
153.05453	17.3
153.06731	2.6
154.07738	2.0
155.05994	2.5
156.05646	1.8
157.06464	23.0
158.07262	2.3
159.08055	2.5
160.05206	2.0
161.05963	32.1
161.09619	8.5
162.06491	2.0
163.07509	24.6
165.06969	10.6
165.09109	10.8
166.06233	10.1
167.07016	60.9
167.08482	5.2
168.07333	1.5
169.06427	2.5
171.08073	2.2
174.06715	12.2
175.07495	7.4
176.04698	2.4
177.06877	3.7
177.09047	9.9
178.07634	2.8
179.06972	4.3
179.08514	6.7
180.09213	1.9
181.05049	2.8
181.06563	4.8
181.08569	100.0
182.07236	8.7
182.08885	3.7
189.09067	70.9
190.07724	2.0
190.09380	2.4
191.06985	2.1
191.08560	4.3
191.10619	2.8
193.06589	3.5
193.08527	2.4
194.07227	4.6
195.07988	9.9
196.08623	2.0
197.05943	5.0
197.09610	13.0
197.72716	1.6
198.06596	2.4
199.07436	2.2
204.09164	1.5
207.08017	5.2
207.10120	13.9
208.08742	4.9
209.05916	2.3
209.09631	2.2
210.06718	7.4
211.07419	6.8
212.08258	3.0
213.09135	2.2
219.08047	6.1
219.10049	2.0
221.05928	6.6
222.06670	3.1
222.10490	1.5
223.07539	9.9
223.11179	4.6
224.08186	2.9
225.05502	1.9
225.09048	16.3
227.06987	5.4
229.12234	2.7
235.07474	4.3
236.08272	4.3
237.09035	5.3
239.06943	4.8
239.10654	3.7
240.07695	4.5
241.08517	2.8
242.09329	3.5
247.07478	4.3
248.47694	1.5
249.08786	1.7
251.06973	5.3
251.10780	5.1
252.07718	2.1
253.08487	13.6
254.09123	4.2
255.06454	7.2
255.10043	5.8
256.06866	7.6
256.10803	2.5
257.07950	1.8
257.09091	1.8
257.11655	15.9
258.11942	1.7
265.08539	3.2
267.06494	1.8
267.10086	3.7
268.07251	1.9
269.07880	2.1
270.08740	5.2
271.09506	1.9
271.13193	3.5
279.10138	6.7
281.07980	3.3
283.10071	11.0
283.13202	9.9
283.18634	2.3
285.07788	3.7
285.11163	30.6
286.11615	2.9
289.14090	1.9
296.10379	3.7
297.11157	3.7
299.09247	2.9
299.12659	5.3
300.09714	1.6
301.06772	1.9
302.11420	3.4
311.12823	8.1
315.08835	2.1
315.12201	18.0
316.08865	12.1
317.13751	24.0
329.13849	3.2
331.15228	3.5
343.15558	8.4
344.25946	2.8
360.25290	2.3
361.16516	10.0
361.21707	2.2
361.25592	15.1
362.26910	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	361.1641
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
57.32492	2.8
58.06588	2.3
59.17034	2.3
61.59335	2.3
67.05495	2.5
77.03890	2.3
79.05470	12.7
81.07036	3.8
91.05462	22.7
93.07014	10.8
95.04952	9.4
103.05457	7.8
105.07014	9.2
107.04930	29.2
107.08565	2.6
109.06510	3.0
111.04381	2.4
115.05453	4.9
117.07000	8.1
117.68221	2.0
119.04946	5.5
119.08601	2.1
119.78629	2.0
120.05736	2.7
121.06471	19.3
121.50632	2.5
123.04420	6.9
124.05194	4.6
125.05970	3.4
128.06238	6.6
129.06979	26.7
131.04912	6.5
131.08537	14.4
133.06496	3.6
133.10179	2.3
135.04338	2.0
135.08040	8.1
137.05959	14.2
141.06976	2.2
145.06479	8.9
146.07266	3.6
147.04370	3.1
147.08052	3.9
148.05127	4.0
149.05940	7.8
149.10695	2.1
151.03885	5.7
151.07518	19.7
152.04645	3.7
152.06134	2.7
153.05440	12.1
153.06989	2.9
155.08582	2.5
157.06494	16.3
159.07964	2.6
161.05942	32.6
161.09595	8.0
163.07532	22.0
165.05539	2.5
165.06952	7.1
165.09102	13.1
165.26595	2.2
166.06230	9.5
166.07634	3.8
167.07018	65.6
167.08475	5.0
168.07411	3.2
174.06729	12.6
175.07518	6.5
177.09114	9.3
179.07030	4.1
179.08563	5.1
181.08566	100.0
182.07256	8.1
182.08803	4.0
183.07942	3.4
187.07562	2.8
189.09081	69.0
190.09430	3.3
191.08495	3.7
191.10677	3.2
193.06458	5.1
194.07262	5.9
195.07932	6.3
197.05927	2.9
197.09569	10.9
199.07585	3.4
203.10529	3.9
207.08139	4.6
207.10136	11.5
208.08804	4.3
210.06744	5.1
211.07487	5.3
219.07977	6.0
221.06071	3.9
222.06772	2.8
223.07550	5.8
223.11128	5.6
224.08331	3.3
225.05534	2.5
225.09087	17.6
227.07028	4.7
233.09474	2.9
236.08432	2.9
237.08952	3.6
239.06978	3.7
239.10655	4.0
240.07741	5.9
241.08508	4.0
247.07471	2.9
251.06972	4.3
251.10609	5.9
252.07622	3.0
253.08566	13.6
255.06561	4.3
255.10089	5.6
256.06918	2.7
257.11749	16.4
267.10156	2.2
268.02664	2.2
269.08051	4.8
271.13345	2.9
279.10077	5.3
281.08096	3.6
283.10083	10.2
283.13278	9.2
285.11163	32.7
285.14081	4.1
286.11667	4.0
297.10947	2.7
299.09039	3.1
299.12570	3.6
302.11615	4.0
311.12735	5.7
314.11710	2.7
315.12216	15.5
316.08865	4.1
317.13837	20.9
329.13864	3.1
331.15427	3.7
343.15247	7.6
361.16629	10.4
361.25476	4.4
362.19836	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	362.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77737	0.5
53.03934	1.0
58.06588	1.5
59.42214	0.5
61.53854	0.6
68.99762	0.8
69.03419	3.8
71.44964	0.6
75.62650	0.5
79.01836	2.4
81.03402	2.1
94.00533	1.3
95.08597	0.8
97.02849	1.0
108.64375	0.6
109.02869	8.6
113.02361	1.6
137.02318	59.8
138.02663	1.7
138.05537	0.6
143.99620	0.5
153.01804	1.7
155.03340	6.1
164.03362	0.6
165.01865	3.6
165.04172	7.5
166.04933	1.6
178.04959	4.4
183.02870	32.8
184.03304	0.8
192.02927	1.2
196.06064	0.9
197.06808	6.9
203.05792	1.6
215.05815	0.7
216.02905	3.8
218.00870	0.6
229.03651	1.6
230.04459	2.2
231.02888	0.6
231.05219	11.2
233.03178	6.2
235.14442	0.6
239.31531	0.5
242.04372	1.4
243.05177	1.4
244.02319	4.7
244.06107	1.8
248.05469	7.3
259.04724	31.6
260.05148	2.1
266.06641	5.4
270.03964	2.7
274.07053	58.2
275.07416	2.3
287.04266	0.9
302.06555	8.3
316.04480	1.0
330.06018	100.0
331.06363	6.2
344.07376	1.1
362.09387	3.1
362.26953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.8
56.05030	2.9
58.06594	36.4
59.06919	1.7
70.71843	1.2
72.08136	2.3
73.06537	2.9
79.05479	1.3
81.07048	3.2
85.02866	2.0
91.05466	2.6
93.07008	1.5
95.08577	1.6
98.09646	1.8
105.07008	2.1
115.05405	6.9
119.08524	1.4
128.06207	22.2
128.07159	1.4
129.06953	2.6
131.08560	2.1
137.05951	4.4
139.05437	2.5
140.06235	2.2
141.06972	11.4
143.08553	5.6
145.06421	1.3
150.07646	1.3
152.06230	4.0
153.07001	5.6
155.06027	3.0
155.08517	3.7
156.05685	14.0
157.10089	1.5
159.08067	2.1
167.04938	4.2
168.05678	17.7
169.06415	3.1
171.04308	2.0
171.08023	13.5
184.05151	19.7
195.04407	5.0
196.05235	4.6
197.05959	4.8
199.07495	31.3
211.03889	5.3
212.04660	47.6
213.05104	2.3
215.03392	9.1
216.04062	1.3
227.03569	11.0
227.06990	54.9
228.24808	1.5
240.04150	3.9
243.06445	12.2
245.04362	1.5
255.06512	20.9
256.03638	27.9
257.04459	3.6
271.05960	50.6
273.07568	2.9
284.03180	2.9
298.17810	1.6
299.05466	93.1
300.05991	5.2
302.04141	11.1
311.39499	1.2
316.18887	1.5
317.06512	100.0
318.06903	3.9
326.17368	2.0
330.20612	2.6
341.23050	2.8
342.23386	2.1
343.24289	48.4
344.11191	3.3
344.18326	6.1
344.24957	13.1
361.25305	67.2
362.12308	56.4
362.19449	34.5
362.26874	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	362.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.4
67.05495	1.2
69.61398	0.6
69.61781	0.7
80.02637	0.5
92.48876	0.3
95.01342	0.4
95.04956	20.6
108.02065	2.0
110.03658	1.5
123.04414	9.2
125.05985	4.2
133.34236	0.4
137.04649	0.5
141.05434	6.2
150.05460	0.5
151.03882	100.0
152.04266	2.2
152.07040	13.6
180.06528	78.9
181.06921	2.5
206.04453	1.5
212.09158	8.3
215.31239	0.4
264.91965	0.4
270.07578	0.5
298.07007	0.4
330.09662	28.2
331.09894	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.05490	0.2
56.05023	0.8
57.07065	1.2
57.98143	0.2
58.06590	2.3
58.32777	0.2
60.04510	0.6
62.44550	0.3
65.03934	2.1
67.05498	3.5
69.03423	0.2
70.06577	0.9
71.08617	0.5
72.08129	0.7
74.06065	0.9
77.03922	0.6
86.06043	1.1
88.07617	8.1
88.80926	0.3
93.03390	0.7
95.04952	3.2
98.30813	0.2
100.07584	0.3
102.09203	0.3
104.07088	0.8
105.03399	0.3
105.04488	1.0
108.02084	4.1
111.04439	2.0
118.08690	0.3
121.03955	0.8
123.04457	0.3
123.90916	0.3
125.05984	1.0
126.03155	0.6
132.10178	1.9
136.01535	2.1
150.05452	0.5
151.03885	100.0
152.04231	2.3
152.07034	2.3
154.02582	3.5
162.11266	0.4
166.10689	0.4
177.13243	0.2
179.05754	0.3
180.06531	14.0
181.06854	0.4
187.56642	0.3
200.44496	0.2
204.04784	0.5
206.04482	2.3
212.09143	0.9
238.25253	0.3
256.26279	0.5
270.27872	5.2
286.06854	0.3
300.28934	0.8
314.30560	1.8
315.07352	0.7
330.09674	20.4
331.09943	1.2
342.01584	0.2
362.26840	1.5
362.32584	21.8
363.33038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03932	1.0
53.23892	0.4
58.06580	0.7
77.03920	1.2
79.01833	0.6
79.05485	2.7
81.07035	1.5
92.02605	1.7
94.04166	2.2
95.04957	4.2
105.03390	0.8
105.04495	2.4
107.01302	0.7
107.04947	0.9
109.06509	4.4
122.03625	6.6
125.01476	0.4
125.05978	4.7
135.04572	0.7
135.05524	3.9
137.05920	0.4
150.03113	1.2
165.05453	100.0
166.05803	2.5
168.04184	4.3
192.02930	1.0
195.01567	0.4
248.32193	0.5
248.34679	0.4
285.02637	0.5
300.04944	3.3
315.07303	2.8
330.09680	30.2
331.09860	1.9
344.25922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1959
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
56.05103	0.5
58.06370	0.7
58.06678	3.7
69.52598	1.0
70.06681	1.2
72.08227	0.4
72.90177	0.4
73.29823	0.4
79.05565	0.7
81.07121	0.7
82.06631	0.5
84.08225	0.4
91.05593	1.5
93.07150	1.5
95.05069	0.4
95.08727	1.4
99.70647	0.4
105.06522	0.4
105.07137	1.5
107.05038	0.8
113.27831	0.5
117.07131	1.1
119.08664	0.6
123.04559	0.5
128.06358	0.4
129.07089	1.3
131.08656	0.9
132.08185	0.7
133.38713	0.4
135.04523	0.8
141.07056	0.8
142.07935	0.4
143.04912	0.4
143.08693	1.6
144.08186	0.6
145.06612	0.4
145.10219	0.8
153.05611	1.7
153.07062	0.7
155.08685	1.1
157.06560	0.8
157.10193	0.5
160.07706	0.6
165.07121	1.0
166.07895	0.6
167.08702	1.4
169.10175	0.8
170.09773	0.5
171.08052	0.5
171.11755	0.8
173.06001	0.4
179.08640	1.6
180.86586	0.4
181.10217	1.0
183.08162	0.9
183.11777	0.5
191.08665	0.8
192.09438	0.7
193.10202	1.1
195.08197	0.8
195.11752	0.9
197.13626	0.5
205.10326	0.9
207.11833	1.2
209.09592	0.5
209.13411	0.8
211.07436	0.7
219.11760	0.5
221.09671	0.5
221.13344	0.6
222.42607	0.5
223.11256	0.4
231.11909	0.5
233.13374	0.9
262.15973	0.9
308.16528	1.4
316.19064	1.0
326.17590	1.1
344.18527	91.4
345.18839	6.9
362.19513	100.0
362.23312	12.8
363.19797	8.4
363.23587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2684
Annotation	U-75302
Peak:m/z	Relative Intensity
58.06593	34.2
59.06927	0.3
62.68201	0.2
65.24261	0.2
69.15256	0.7
69.15667	0.6
69.48566	0.2
72.08157	0.8
77.69955	0.2
81.07036	0.3
91.05426	0.2
98.09687	0.2
98.23507	0.4
101.12771	0.2
101.66290	0.2
122.04032	0.2
122.28631	0.2
133.10062	0.2
154.86050	0.2
211.96014	0.2
216.82698	0.2
251.18079	0.2
269.18839	0.2
284.19980	0.4
317.09067	0.5
344.25720	2.7
345.26266	0.4
362.26825	100.0
363.27170	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	362.2684
Annotation	U-75302
Peak:m/z	Relative Intensity
52.72471	0.3
56.05006	0.5
57.78142	0.3
58.06593	8.5
67.05464	0.5
70.06579	0.3
72.08144	2.1
74.06032	1.1
79.05459	0.4
81.07014	0.8
85.02908	0.3
85.85203	0.3
85.99933	0.3
91.05440	0.4
93.06986	0.4
95.08571	0.6
98.09673	4.2
105.06995	0.6
117.06955	0.3
129.06920	0.3
131.08504	0.5
137.05898	0.5
143.08440	0.6
145.10045	0.4
155.08543	0.4
165.09116	0.4
169.10165	0.6
171.11658	0.5
175.37566	0.3
181.08420	0.4
181.10043	0.4
182.78668	0.3
183.11621	0.6
185.13226	0.3
229.07838	0.3
276.77823	0.3
298.25266	0.4
317.09244	0.7
326.24731	3.2
327.24966	0.4
344.25781	100.0
345.26141	9.6
354.12411	0.3
362.26828	93.4
363.27164	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	363.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	7.2
58.06583	1.2
63.47834	0.3
64.52444	0.4
70.69276	0.9
74.97559	0.5
84.96008	1.2
98.97571	100.0
99.97919	0.5
103.82722	0.4
110.97554	3.6
112.99122	0.5
116.98609	32.2
126.97003	0.4
128.98584	2.8
131.00198	0.7
134.99641	6.8
140.98544	0.6
141.02196	0.8
143.00128	1.3
144.98029	0.4
146.99637	1.4
150.01147	0.4
153.00688	0.6
157.01666	0.7
158.99637	49.9
159.03218	3.5
160.00038	0.8
161.01219	1.1
170.99649	1.3
177.00690	40.3
177.04295	1.6
178.01051	0.7
183.03293	0.4
189.00734	0.5
195.01756	1.9
200.02220	0.8
201.00722	0.5
201.04315	3.2
219.01741	31.6
225.04276	0.6
237.02773	8.3
243.05400	3.6
255.03749	0.6
261.06354	0.4
303.07468	16.1
304.07703	0.6
321.08524	17.7
322.08859	0.6
344.18338	0.8
345.18762	0.8
346.19946	0.8
362.19421	1.2
362.23294	0.9
363.09320	5.9
363.16125	0.8
363.19937	1.1
363.23645	0.8
364.21143	1.1
364.25082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
55.01879	1.0
55.05494	1.0
57.03429	3.0
57.07066	2.2
58.06330	1.6
58.06595	16.3
58.79637	0.9
59.06931	1.8
61.02906	1.0
67.05506	2.3
69.03419	19.5
71.04979	7.9
72.08141	1.3
74.06062	2.3
79.05475	1.4
81.03406	33.2
81.07060	1.7
83.04967	1.7
85.02891	61.3
89.28892	1.1
91.05473	1.8
95.04960	1.1
95.08596	1.1
97.02876	4.7
99.04435	28.0
103.03924	60.9
104.04234	1.0
105.07001	1.7
107.08574	1.1
109.02859	23.7
117.06997	1.0
119.08567	1.5
119.38563	1.0
127.03896	100.0
128.04257	1.5
131.08536	1.8
134.53595	0.9
138.05254	0.9
142.18904	1.0
145.04929	10.0
149.40930	0.8
151.03926	1.6
154.04697	1.5
157.10074	1.5
167.07133	1.2
187.05978	7.0
201.12910	1.1
253.07033	2.6
267.13150	5.5
271.08051	2.9
344.25906	7.8
345.26102	10.6
362.26782	31.6
363.23526	1.7
363.27164	41.3
364.18365	16.5
364.27454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49382	34.0
55.05495	80.1
57.03420	55.2
57.07044	38.2
67.05480	59.8
69.07035	51.8
74.93168	34.4
79.05474	96.5
81.07022	100.0
83.08584	48.3
93.07032	49.8
95.08578	70.0
99.08057	55.1
107.08557	69.3
109.06496	48.3
119.08556	58.0
133.10155	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	363.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04434	1.7
53.03932	6.5
55.01864	19.7
55.05502	34.3
57.03431	16.8
57.07062	6.9
58.06599	3.8
61.57056	1.6
61.62414	1.4
65.03936	7.7
67.05493	35.0
69.03421	2.9
69.07052	11.1
70.06579	20.1
70.71545	2.8
71.04971	2.9
71.06928	3.2
71.08595	2.8
72.08128	3.0
79.05480	60.6
81.03410	5.6
81.07043	100.0
83.01309	3.0
83.04984	5.4
83.08608	10.4
84.08126	2.0
85.02887	2.4
86.09699	4.1
88.07619	10.3
91.05015	1.5
91.05466	42.4
93.07026	31.6
95.04948	15.9
95.08584	15.7
97.02868	3.6
97.06521	1.9
97.10143	12.3
99.08088	2.6
102.09175	6.7
103.05439	2.0
103.09496	2.2
105.04517	2.0
105.07011	29.6
107.04938	28.8
107.08572	22.2
109.02864	14.3
109.06503	49.3
109.10118	10.4
111.04451	4.2
111.08087	4.3
115.05438	6.9
117.06994	20.5
119.00655	1.7
119.06117	1.7
119.08562	22.3
121.02836	5.8
121.06538	8.0
121.10122	7.5
123.04411	6.2
123.08044	5.4
125.09618	7.5
129.06989	3.6
131.08551	8.6
132.10179	6.9
133.06461	4.2
133.10072	19.4
135.04393	2.4
135.08032	38.4
135.11668	3.6
137.05972	2.8
137.09602	10.6
141.06917	1.8
143.08565	8.1
145.06465	7.2
145.10100	8.6
146.11737	6.5
147.08023	6.1
147.11728	2.9
148.51801	1.7
149.09583	3.9
151.11177	5.1
153.09082	8.0
155.08585	3.3
157.10092	4.0
159.08083	10.1
159.11685	6.1
161.09586	18.8
163.07498	15.1
163.11166	4.5
165.09134	3.7
169.10141	4.9
171.11671	2.0
173.09645	5.9
174.09900	1.9
175.11198	2.4
177.09052	3.5
179.10640	20.4
183.11687	2.4
187.11192	3.1
189.09094	10.2
189.11212	6.1
191.10715	1.8
193.12253	3.1
201.12813	2.7
207.10167	7.2
212.23776	2.1
215.17854	2.1
225.11147	5.1
225.16196	3.0
243.17447	20.3
256.26343	11.4
257.26663	10.8
261.18439	13.2
271.16876	10.6
289.17938	42.6
290.18423	3.1
300.22531	1.7
300.28943	16.7
301.29260	21.9
302.10730	1.7
362.32596	39.3
363.21603	29.6
363.32922	72.7
364.33429	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	363.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
55.01864	10.9
55.05503	100.0
57.03428	2.7
58.06584	1.9
58.95431	1.9
65.03931	1.9
67.05505	15.9
68.58948	2.6
69.03416	2.5
69.07049	8.7
75.77546	2.1
77.82502	1.9
78.64525	1.9
79.05480	33.9
81.06566	4.2
81.07044	87.3
83.04967	4.6
83.08611	42.2
85.02878	8.0
91.05463	27.1
93.07029	33.4
95.04960	13.9
95.08603	11.6
97.10112	2.0
105.07012	19.0
107.04919	5.0
107.08575	19.0
109.06503	74.6
109.10139	6.2
111.04415	3.1
113.05949	3.7
117.07000	10.9
119.08561	16.1
121.06483	8.8
121.10137	5.5
123.08088	4.1
125.09603	20.9
129.06992	6.4
131.08553	15.5
133.10127	8.5
135.08051	10.2
135.11609	3.3
137.09592	4.9
143.08521	7.7
145.10101	8.9
147.08061	7.0
149.09615	6.6
153.09074	27.8
157.10080	12.6
159.11642	4.7
161.09647	2.6
161.13205	2.6
163.07428	4.6
165.09074	13.7
171.11649	5.0
173.13243	13.8
175.11185	3.0
175.14677	2.5
181.08543	14.1
187.11180	5.7
189.16373	4.1
199.09662	3.0
199.14806	33.8
201.16382	8.8
217.15846	65.0
218.16296	3.0
227.14261	4.1
245.15332	17.4
263.16422	12.3
263.19009	1.6
298.14813	2.2
307.28308	1.9
346.80490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91335	1.1
55.05510	7.1
57.07059	5.4
57.38139	1.2
59.04987	2.6
67.05492	8.5
69.07051	13.8
69.77328	4.6
70.56511	1.5
71.04974	2.2
71.08617	3.4
72.08131	1.2
79.05476	4.2
81.07050	17.3
81.49420	1.1
83.04971	1.5
83.08615	6.4
85.93053	1.3
89.06001	4.6
91.05452	3.4
92.61825	1.4
93.07031	9.5
95.08600	12.5
97.06491	3.1
97.10114	1.5
100.96260	1.1
105.07008	3.8
107.08566	9.1
109.06512	9.4
109.10160	6.3
111.08050	3.3
119.08546	4.9
121.10097	5.9
123.08051	78.8
123.11706	4.6
124.08397	2.0
133.10103	4.0
135.08055	5.2
135.11687	2.7
137.09596	4.0
147.11656	3.0
149.02211	1.2
149.09631	1.7
149.13275	3.5
151.09673	1.5
151.11148	1.4
159.11737	3.5
173.13200	1.7
179.14253	17.7
180.14772	1.3
183.11566	1.5
233.19107	1.3
257.29269	1.2
275.20004	1.4
295.22543	1.3
307.22760	8.5
331.26205	5.4
363.28876	100.0
364.29031	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	364.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
51.70259	0.2
61.76751	0.2
67.05508	0.3
68.01368	0.6
69.07043	0.3
69.25938	0.2
69.27554	1.4
70.02943	1.3
77.03919	0.6
77.74190	0.3
89.03878	0.3
89.42043	0.3
91.05453	0.7
92.03908	0.2
92.04967	0.4
95.04951	2.1
95.08599	0.2
97.06490	0.3
100.39394	0.2
104.04971	2.4
105.03365	1.5
105.04514	0.6
107.04932	0.3
109.10194	0.3
116.04972	1.5
117.05733	0.6
120.04449	8.2
121.02848	1.5
121.04780	0.3
128.04930	1.9
129.04462	2.6
130.02888	0.7
130.03972	0.7
131.06021	0.3
132.04433	31.5
133.02827	3.6
133.04747	0.5
137.05974	0.3
144.04427	0.8
145.05215	2.3
146.02332	0.7
146.05992	1.4
151.03870	0.5
155.06012	0.6
156.04419	4.4
157.05057	0.3
160.03900	0.5
162.05449	0.6
169.03920	0.3
170.04730	1.2
171.05505	2.2
172.03906	43.1
173.04361	1.5
174.05453	0.7
176.07030	1.8
176.10675	2.2
182.71791	0.2
183.05466	1.3
184.06282	0.6
187.05002	10.1
188.05324	0.3
190.04956	1.2
198.06592	3.7
199.04993	2.1
200.05687	0.3
204.10144	0.7
205.10916	1.2
213.02937	0.8
218.04434	1.8
218.08391	0.4
224.07077	1.0
245.06970	0.4
247.08665	1.1
258.07852	0.5
272.08215	0.5
274.07208	0.5
274.09961	0.3
275.08121	5.9
276.08337	0.4
290.09143	2.1
300.07605	5.3
301.08401	32.6
302.09103	6.3
302.17462	7.7
302.20059	0.2
303.09369	0.3
318.08685	12.8
319.08975	0.7
334.90018	0.3
346.08160	100.0
347.08481	6.7
364.09219	3.1
364.21133	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
52.34814	0.2
56.16711	0.2
57.71239	0.2
65.03926	0.3
67.05499	0.2
68.01383	0.5
70.02948	1.6
71.43964	0.3
77.03915	0.4
89.03896	0.2
91.05446	0.3
92.05015	0.3
95.04947	1.2
95.08633	0.3
96.61129	0.2
98.78593	0.2
102.03452	0.3
102.43867	0.3
104.04979	2.1
105.03365	1.1
105.04466	0.5
116.04961	1.3
117.05765	0.6
120.04449	8.3
121.02853	1.4
124.38637	0.2
128.04945	1.9
129.04457	2.8
130.02980	0.3
130.03992	0.9
132.04434	30.4
133.02834	3.6
133.04729	0.6
134.06010	0.3
144.04401	0.8
145.05209	2.0
146.02348	0.7
146.06010	1.2
147.05527	0.5
147.06685	0.3
151.03836	0.6
155.05992	0.6
156.04416	4.6
157.05188	0.4
160.03885	0.3
162.05464	0.8
170.04733	1.1
171.05539	1.9
172.03909	42.2
173.04282	1.7
174.05504	0.8
183.05507	1.4
184.06274	0.8
187.04999	9.7
190.04964	1.0
198.06595	3.7
199.04967	2.1
213.02954	0.8
214.06126	0.3
218.04457	1.9
224.07056	0.9
239.96187	0.3
245.07059	0.5
247.08603	1.4
258.07864	0.4
272.08148	0.4
273.09116	0.4
273.13467	0.5
274.07217	0.5
275.08099	5.6
276.08179	0.3
290.09186	2.1
300.07614	5.2
301.08392	33.7
302.09085	5.7
302.17471	2.5
303.09576	0.3
303.17953	0.3
318.08694	11.5
319.09109	1.1
346.08160	100.0
347.08478	7.2
347.12653	0.5
364.09189	3.0
364.21054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
65.03940	1.2
68.99799	0.2
69.55820	1.0
79.05451	0.3
81.07031	0.3
83.01311	0.4
83.04953	0.4
93.03387	0.4
96.02094	1.0
97.02862	0.3
111.04421	2.6
121.02866	1.8
121.03722	0.3
124.01559	4.3
138.05463	1.3
149.02303	1.0
152.01025	9.0
166.03857	0.2
166.04974	10.5
167.03375	100.0
168.03723	3.1
170.02083	19.9
171.02487	0.6
198.07600	1.8
207.40657	0.3
272.05521	0.8
332.07550	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	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	7.8
69.03418	1.9
70.06583	100.0
79.25342	1.8
81.03433	3.5
85.02891	3.7
88.20374	1.8
93.07048	3.1
97.02933	2.1
109.02841	5.1
111.68265	1.9
112.07589	90.5
116.07034	2.4
117.28107	1.9
121.10101	4.1
140.07036	54.7
141.07407	2.4
149.09657	3.6
158.08127	11.5
167.10657	18.7
172.91664	1.9
173.20192	2.2
203.05322	3.1
208.68816	1.9
211.37807	1.7
255.06516	2.1
269.04355	4.3
283.05911	6.3
284.11227	6.2
302.12228	2.5
319.08060	3.1
323.09964	2.0
346.19977	8.5
346.23804	6.1
364.16821	3.6
364.20950	26.9
364.24762	23.3
365.10898	3.7
365.16647	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	364.2113
Annotation	Consiculine
Peak:m/z	Relative Intensity
50.77106	0.4
56.05027	0.8
56.96546	2.8
58.06590	15.8
61.88485	0.4
64.90776	0.4
67.05476	0.7
70.06565	1.6
70.34744	0.5
70.75328	0.5
72.08137	1.2
79.05500	0.6
81.07039	1.2
82.06554	1.3
83.04951	0.4
84.08125	0.9
84.96017	1.2
93.07021	1.0
94.06573	0.4
95.04935	0.8
95.08536	0.9
96.08160	0.4
98.97556	8.4
105.07027	1.3
106.19071	0.4
109.63587	0.4
110.97559	2.5
112.99090	0.5
115.09907	0.7
116.98589	2.1
117.06998	0.8
119.08475	0.4
121.06447	0.9
122.09641	0.7
124.11218	0.8
128.98595	2.7
129.06982	0.8
131.00116	0.7
131.08594	0.9
133.10075	0.5
134.99637	0.6
140.98573	0.6
141.02194	0.5
141.07007	1.0
143.00154	1.0
143.08543	1.5
144.97990	0.7
145.10109	1.1
146.99622	0.8
155.08542	1.5
157.06506	0.5
157.10106	1.0
158.99634	2.2
159.03246	2.0
159.11597	0.5
161.01216	1.0
161.04845	1.7
167.08527	1.0
169.10089	1.1
170.99622	0.8
171.08070	0.6
171.11667	0.8
175.29172	0.4
177.00690	1.8
177.04149	0.9
178.07626	0.5
179.05879	1.2
179.08519	1.6
181.10098	1.6
183.08081	0.5
183.11716	0.6
185.04330	0.6
188.14288	0.5
189.00681	0.7
192.09279	0.8
193.10123	1.5
195.11700	0.8
197.13124	0.5
201.00691	0.9
203.05829	2.0
204.09093	0.5
205.10075	0.8
207.11662	1.0
209.13191	1.0
211.11237	0.5
211.14830	0.6
216.98656	0.6
217.10005	0.6
219.01717	4.7
219.11652	0.6
221.06825	0.5
221.13206	1.0
223.11238	1.0
225.12738	0.6
234.99762	0.7
235.14749	0.9
237.02744	6.8
237.12616	1.0
245.06793	0.8
248.14444	0.5
249.12753	0.5
266.15494	0.8
279.07611	0.6
305.09003	10.9
310.18054	1.1
316.19104	1.0
321.08176	0.5
323.10056	15.9
328.19412	2.3
328.22043	2.2
346.20053	88.4
346.23608	5.8
347.20413	6.0
347.24283	0.6
364.17435	7.0
364.21078	100.0
364.24869	37.0
365.10828	5.2
365.21420	6.7
365.25293	2.5
372.07031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2111
Annotation	Consiculine
Peak:m/z	Relative Intensity
53.01192	0.2
56.05026	0.2
58.06595	1.0
67.05494	0.2
69.03423	0.3
70.06573	0.3
71.45802	0.2
72.08149	0.3
79.05488	0.3
81.03395	0.9
81.07043	0.5
84.08111	0.4
85.02910	0.3
86.09740	0.2
93.07027	0.2
94.06570	0.3
95.08587	0.4
96.08112	0.3
98.97509	0.2
105.07011	0.4
110.98213	0.2
119.08491	0.3
121.06474	0.3
129.07024	0.2
131.08525	0.3
134.09590	0.2
141.06966	0.4
143.08530	0.8
145.10141	0.3
155.08575	0.3
157.10037	0.3
160.07556	0.3
167.07030	1.0
167.08514	0.6
169.10155	0.3
171.07957	0.2
181.10091	0.4
183.11552	0.3
185.13297	0.3
191.08498	0.2
193.10158	0.3
195.11646	0.5
197.13187	0.3
205.10155	0.2
209.13260	0.5
211.11180	0.4
226.15819	0.3
236.14227	0.2
254.15208	0.4
264.17477	0.3
282.18488	0.6
300.19363	0.3
310.17892	0.9
328.18994	1.3
328.22263	0.3
346.19937	3.0
346.23779	3.0
364.21057	100.0
364.24768	8.6
365.21426	7.8
365.25079	0.5
372.58023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2478
Annotation	Cardiopetalidine
Peak:m/z	Relative Intensity
52.60077	0.2
56.05031	1.3
56.96558	2.6
58.06595	8.6
62.00803	0.2
67.05490	0.5
69.03443	0.2
70.06598	0.4
71.43395	0.3
72.08146	1.3
79.00135	0.2
79.05473	0.7
81.07066	1.2
82.06569	0.6
83.04956	0.3
84.08125	1.6
84.96023	0.9
93.07045	0.8
95.04959	0.9
95.08626	0.3
98.09666	1.2
98.97565	5.2
98.98150	0.4
99.97926	0.3
105.07018	0.7
107.08614	0.4
109.06504	1.2
110.09674	2.6
110.97554	2.0
112.99126	0.4
113.01614	0.2
116.97901	0.2
116.98576	1.6
117.07018	0.4
119.08555	0.4
122.09639	1.6
123.08018	0.3
124.11208	1.7
125.12035	0.4
128.98586	2.3
129.02185	0.3
129.06985	0.3
131.00180	0.4
131.08580	0.8
133.10146	0.5
134.99635	0.5
136.07631	0.3
137.05971	0.4
140.98613	0.6
141.02245	0.3
141.06975	0.6
143.00165	0.7
143.08588	0.8
144.98097	0.4
145.10130	0.8
146.99643	0.9
147.03381	0.3
147.11668	0.5
150.12857	0.2
152.98625	0.4
153.07059	0.3
155.08563	0.6
157.10124	0.7
158.99664	1.0
159.03246	1.6
159.11711	0.7
161.01231	0.6
161.04819	2.0
169.10103	0.8
170.99669	0.5
171.11687	0.6
177.00697	1.3
177.04349	0.8
179.05885	1.5
179.08578	0.3
181.10048	0.6
183.11679	0.5
185.04266	0.4
189.00682	0.6
190.15936	0.6
191.16734	0.3
193.10149	0.3
195.11726	0.4
201.00735	0.5
203.05962	1.6
205.07130	0.3
205.10136	0.2
207.11705	0.5
209.13203	0.4
219.01740	4.0
221.06970	0.6
221.13292	0.4
223.14804	0.4
225.12836	0.3
235.14919	0.3
237.02782	6.0
238.03131	0.3
245.07013	0.4
253.15790	0.4
265.15891	0.3
267.17542	0.3
300.19620	0.5
304.07764	0.3
305.09003	7.4
307.12564	0.2
310.18219	0.4
310.21445	1.5
312.97272	0.3
316.19165	0.3
322.08942	0.7
323.10080	10.8
328.19226	0.3
328.22678	9.5
329.22876	0.6
346.20016	7.3
346.23798	23.0
347.20313	0.8
347.24097	2.0
364.20987	15.4
364.24838	100.0
365.11035	2.8
365.21304	1.3
365.25201	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	364.2478
Annotation	Cardiopetalidine
Peak:m/z	Relative Intensity
50.03572	0.1
55.05424	0.2
55.89058	0.2
56.04910	0.8
56.05211	0.3
58.06476	4.1
58.06799	1.5
67.05366	0.7
69.06958	0.2
69.24625	0.5
69.25024	0.4
70.06460	0.5
70.06825	0.2
72.08013	1.5
74.12995	0.2
79.05371	0.4
79.05791	0.2
81.06915	0.8
82.06487	0.4
84.07991	0.8
84.08530	0.3
85.02782	0.2
93.06886	0.6
95.04845	0.4
95.08434	0.7
95.78089	0.2
98.09528	2.1
104.03036	0.2
105.06855	0.9
107.04806	0.3
107.08449	0.4
109.06373	0.4
110.09505	1.6
117.06850	0.5
119.04844	0.2
119.08414	0.7
121.09966	0.3
122.09518	0.3
123.04323	0.4
124.11048	1.8
126.12645	0.4
129.06853	0.4
129.10144	0.2
131.08372	0.6
133.10023	0.4
137.05850	0.4
138.36345	0.2
141.06866	0.2
143.08537	1.0
145.09943	0.7
147.11497	0.4
153.06828	0.2
155.08388	0.5
157.09914	0.6
159.11517	0.5
167.06882	0.2
167.08377	0.3
169.09891	0.3
171.11578	0.4
173.13086	0.3
181.10028	0.3
183.11517	0.5
185.13095	0.4
193.09946	0.3
195.11603	0.4
197.13145	0.4
199.14671	0.5
201.12265	0.2
203.05067	0.2
203.14255	0.3
207.11621	0.2
209.13086	0.6
211.14714	0.3
226.06137	0.3
227.14168	0.4
237.16185	0.2
247.14661	0.2
255.06313	0.3
271.16727	0.2
277.24170	0.2
283.05902	0.6
285.18365	0.3
300.19690	0.4
300.23053	0.3
302.21164	0.2
310.21594	0.5
318.20584	0.6
319.07986	0.5
328.22623	3.4
346.23697	23.9
347.24075	2.3
364.21524	5.8
364.24768	100.0
365.10620	0.5
365.21344	0.5
365.25134	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	364.2689
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
51.44659	0.7
55.05500	2.2
56.05017	2.5
58.03722	0.7
58.06583	2.2
60.04515	82.0
65.03919	1.0
67.05491	7.4
69.07056	2.9
70.06586	1.0
71.45853	0.7
72.04494	3.8
72.12036	0.8
74.06073	1.4
79.05484	6.7
81.07041	11.2
82.06562	1.1
85.02874	0.9
85.06533	2.2
88.28471	0.7
90.05544	1.2
91.05477	8.3
93.07020	6.1
94.06541	1.0
95.04939	2.1
95.08590	5.9
96.08128	1.1
99.08068	3.4
102.05552	0.8
105.07033	5.4
107.08559	2.8
107.46282	0.8
109.10168	1.9
117.06991	3.1
119.08566	3.5
121.06506	0.9
121.10120	2.3
131.08521	3.1
133.10086	2.9
135.11697	1.9
143.08546	1.3
145.10130	2.6
147.08009	1.3
147.11667	1.1
149.13144	1.1
153.09036	0.8
155.08534	0.8
159.11674	1.9
171.11674	1.2
173.13123	0.9
219.51247	0.8
231.33984	0.8
257.24725	0.9
274.21487	1.3
292.22604	2.6
310.17950	1.9
310.23734	4.4
328.18900	1.9
328.24820	12.3
346.25867	56.7
347.26187	5.6
364.13626	2.7
364.21057	100.0
364.24750	6.9
365.13754	1.0
365.21417	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	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
68.69714	0.4
69.66683	1.5
73.49220	0.4
77.24548	0.4
84.22424	0.4
119.01907	0.4
142.01761	0.7
147.13165	0.4
173.02866	0.5
185.02869	0.6
185.04192	24.0
203.05234	49.4
204.05643	1.3
221.04550	0.8
231.75081	0.4
242.43239	0.4
245.04945	2.1
274.10352	0.4
365.10513	100.0
366.10941	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	24.6
58.06590	4.8
66.72276	0.7
68.09222	0.7
70.69471	0.8
74.97597	1.7
84.08117	1.4
84.96021	7.5
85.02898	0.7
86.97584	1.4
98.97572	46.9
102.97040	1.1
110.97561	19.7
112.99121	4.4
116.98604	15.7
120.94445	0.7
126.97057	1.9
127.00691	1.0
128.98587	20.5
128.99495	1.4
129.02240	3.1
131.00148	3.4
134.99629	2.7
140.98578	3.5
141.02202	4.3
143.00142	6.6
143.03741	1.3
144.98080	2.7
145.01755	1.1
146.99655	8.3
147.03300	2.1
149.01193	1.7
152.98566	1.4
158.99640	9.0
159.03275	13.9
161.01205	5.7
161.04829	15.1
162.99138	2.8
170.99643	5.6
173.04893	1.5
175.02708	1.3
177.00711	9.0
177.04317	12.2
179.02295	1.1
179.05891	17.9
185.04218	2.3
189.00700	4.6
189.02209	0.7
189.04323	2.9
195.01775	1.4
197.06992	1.1
201.00703	4.2
201.04301	1.2
203.03574	1.0
203.05879	16.2
207.05426	2.6
215.05948	1.3
218.99593	1.7
219.01732	34.6
221.06908	8.3
227.05956	1.3
231.05316	1.8
233.07019	1.5
237.02777	50.3
238.03062	1.7
245.06964	4.9
247.08212	0.9
255.03558	3.6
263.08023	2.4
305.09021	67.1
306.09344	3.4
323.10092	100.0
324.10495	3.8
337.40601	0.8
346.11874	1.9
347.20328	3.8
347.24121	1.8
348.21506	2.4
364.20874	1.8
364.24747	4.5
365.10941	23.4
365.17691	3.2
365.21448	12.0
365.25195	7.7
366.11273	1.5
366.22629	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	365.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69458	1.1
58.06599	2.7
65.78892	1.0
66.96307	1.1
70.06593	1.3
70.22865	1.5
70.23218	2.2
76.88470	1.1
81.03412	1.3
84.01972	1.0
84.08147	1.3
84.82630	0.9
85.02898	2.0
87.04437	1.4
89.40652	1.1
97.02907	2.7
97.86659	1.1
98.97577	1.4
99.04491	1.8
103.03941	2.3
107.21371	0.9
127.03914	3.2
133.09821	1.1
185.04266	3.4
203.05266	9.2
347.20404	2.2
347.24393	1.3
364.20898	1.5
364.25046	1.6
365.12061	100.0
365.21631	9.0
365.25275	2.6
366.12253	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	365.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01871	5.3
55.05509	12.2
56.96563	19.1
57.03427	6.2
65.81861	1.4
67.05500	18.1
69.03413	4.5
69.07062	11.9
69.77636	4.8
71.05001	2.7
73.58878	1.3
79.05483	33.2
81.03413	4.3
81.06554	3.7
81.07045	67.1
82.07387	1.8
83.04974	2.9
83.08611	3.6
84.10055	1.4
85.06523	2.2
90.53626	1.5
91.05464	14.3
93.07040	15.6
94.97115	1.5
95.01312	1.8
95.04936	9.4
95.08584	10.9
97.02895	2.5
97.06538	4.5
97.10171	5.1
97.16965	1.8
105.07015	13.5
107.04937	8.2
107.08569	9.4
109.06503	56.1
109.10123	7.5
115.05433	1.6
117.07016	5.9
119.08563	10.1
121.06493	3.4
121.10130	6.5
123.08074	4.8
125.09615	5.7
128.06143	1.9
129.06995	4.6
131.08540	7.2
133.06509	4.1
133.10127	4.5
135.08046	4.8
135.11682	3.7
137.09583	3.4
143.08543	4.4
145.10112	7.5
147.08109	4.8
147.11655	2.9
149.09662	6.1
155.08501	1.7
157.10123	4.4
159.11707	3.1
161.09575	7.9
163.11188	3.1
165.09093	1.9
171.11678	2.9
173.09605	2.7
175.11159	2.7
189.04295	2.4
189.11237	1.9
189.12764	2.4
191.10666	1.8
193.12335	2.2
199.06381	4.6
205.12331	1.8
213.07944	2.8
217.07458	6.8
223.06485	1.9
223.13289	4.4
231.09135	1.9
241.07440	6.4
248.07117	2.5
249.07829	4.9
251.09509	1.9
253.07372	1.8
255.08954	4.9
255.17407	2.1
259.08548	10.4
263.09442	2.4
269.10590	14.1
271.08533	1.9
273.10242	2.1
273.18427	20.3
277.07379	2.5
279.08939	1.5
287.11502	3.6
291.08759	6.1
291.19540	26.0
292.06052	8.0
292.09018	2.3
293.06808	1.7
295.11960	2.5
306.07623	3.5
308.09161	3.0
318.97061	1.6
320.05820	2.5
320.09140	64.3
321.06097	2.8
322.10760	6.8
329.14294	1.9
333.09958	1.8
334.10947	2.5
336.08594	34.5
347.15277	16.9
347.22134	4.4
350.10269	4.6
351.10995	6.6
365.10379	2.2
365.11517	2.6
365.16678	26.4
365.23120	17.5
366.13297	100.0
383.17480	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	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	0.7
57.03464	0.6
58.06619	0.7
67.05537	2.2
69.07089	1.7
69.09264	3.6
79.05540	2.0
81.03468	0.5
81.07053	3.0
83.05009	0.9
83.08664	0.6
84.06615	0.5
91.05517	1.5
93.07085	1.9
95.05019	1.7
95.08649	1.4
97.06573	0.6
99.31718	0.6
105.07063	1.4
107.04954	0.8
107.08628	1.2
109.06531	0.7
109.10197	0.6
117.07057	0.5
118.03014	0.5
119.08601	1.0
121.10201	1.3
123.08117	0.7
131.08554	1.2
133.10143	1.2
143.08623	0.9
145.10143	1.2
149.09579	0.7
151.03957	1.7
152.04332	2.2
153.04500	1.9
154.04686	0.5
157.10191	0.8
159.08153	0.6
163.11217	0.5
163.74823	0.5
180.06477	1.2
180.11249	1.0
181.06920	1.5
182.07080	1.3
208.10660	2.4
249.07927	2.0
263.09464	0.8
264.06497	0.9
264.13507	0.8
265.07547	0.5
273.18564	1.0
276.06528	1.0
277.07471	1.1
291.08878	3.3
291.19516	1.4
292.06039	3.4
292.09308	1.1
293.06915	0.8
299.52975	0.5
305.06839	0.8
306.07611	1.3
308.09317	0.7
320.05658	1.3
320.09094	26.6
321.06342	1.4
322.10666	3.3
333.10556	2.0
333.20300	100.0
334.10544	0.6
334.20584	7.1
336.08606	14.0
350.10193	2.2
351.10910	3.1
365.10355	1.1
365.22916	39.4
366.13324	40.1
366.22852	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	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15061	1.3
55.01863	3.2
55.05497	4.8
57.03442	2.8
59.04982	2.2
65.55467	1.2
67.05500	7.1
67.08147	1.4
69.07059	2.5
70.93847	2.4
71.04979	1.5
79.05486	6.7
81.07031	10.6
82.87250	1.4
83.04948	2.3
83.08601	1.9
91.05462	6.6
93.07032	5.2
95.04948	5.8
95.08597	3.8
97.10147	2.4
105.07027	5.6
107.04980	1.7
107.08575	4.4
109.06469	1.6
109.10150	3.0
117.06995	1.8
118.81406	1.3
119.08540	4.3
121.10134	2.1
123.08004	3.4
129.07011	1.7
131.08583	3.1
133.06412	1.7
135.08072	1.9
135.11644	2.3
145.10118	1.7
157.10170	1.5
161.09650	1.9
165.08978	1.8
171.11674	2.1
173.13289	2.2
175.11079	1.5
183.11691	2.3
185.13269	1.6
197.13213	1.7
204.08057	1.4
249.07735	2.4
252.96992	1.5
262.08630	1.6
263.09384	2.3
264.06479	1.8
273.18491	4.7
273.63919	1.3
276.06558	2.4
277.07156	3.4
278.08084	2.0
290.08237	1.7
291.08972	7.8
291.19577	7.7
292.06003	7.7
292.09247	2.2
304.06171	2.2
305.06793	1.8
306.07639	3.4
308.09012	1.6
320.09122	69.1
321.06244	2.7
322.10785	8.2
333.20303	93.1
334.20648	4.5
336.08646	34.6
347.23618	2.0
350.10172	5.4
351.10898	9.0
365.10303	3.9
365.15860	2.7
365.22888	37.8
366.13312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68405	0.4
50.92781	0.4
57.03424	0.8
67.05501	0.6
70.06670	0.5
70.06996	1.0
79.05479	0.6
81.07059	0.5
93.07020	0.4
95.04948	0.6
95.08533	0.4
111.40688	0.4
113.05990	0.7
119.08587	0.4
135.08073	0.6
141.84325	0.5
145.10202	0.4
195.09901	1.1
291.19385	0.7
292.06049	0.6
320.09094	3.8
322.19199	0.4
336.08569	2.2
351.11078	0.5
365.22922	100.0
366.13345	6.4
366.23203	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	365.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73345	0.7
55.01854	3.1
55.05496	2.5
57.03422	1.1
59.04977	0.7
67.05499	6.2
69.03422	0.7
69.07059	0.9
79.05482	8.0
81.07047	12.0
83.04986	3.7
85.02892	1.5
88.31726	0.8
91.05470	4.2
93.07037	4.5
95.04952	2.0
95.08591	1.9
97.06509	1.2
105.06262	0.7
105.07001	2.6
107.04952	1.2
107.08571	2.3
109.06504	4.4
109.10149	1.6
111.04444	4.6
111.08085	1.0
117.06998	2.1
119.08593	4.0
121.06493	1.6
121.10112	2.6
123.08061	1.6
125.09590	1.5
128.02296	0.7
131.08559	2.1
133.10110	0.8
135.11693	1.3
145.10091	2.9
147.08032	1.7
149.09589	1.3
153.12659	1.3
157.10078	0.8
159.11690	0.8
161.09492	0.7
163.11180	1.6
165.09171	0.9
181.12225	1.3
205.08424	1.5
273.18460	3.3
291.19528	7.3
292.06052	1.1
320.09073	7.5
336.08582	3.8
351.11115	1.0
365.22931	100.0
366.13345	12.0
366.23334	5.0
384.49258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
55.01863	16.8
55.05297	1.8
55.05508	21.3
57.02988	2.0
57.03429	15.7
65.03941	2.8
67.05496	37.5
69.03410	4.6
69.07052	7.2
71.04967	5.2
79.05485	51.7
81.03400	7.9
81.07048	100.0
83.04974	32.8
83.08613	9.3
85.02892	15.6
85.06517	1.8
86.95002	1.6
91.05473	23.4
93.07031	37.7
95.04945	16.4
95.08595	14.3
97.06542	8.2
97.10139	8.6
99.04435	4.8
105.07024	20.5
107.04929	8.1
107.08569	16.7
109.06514	41.1
109.10130	12.5
110.06861	1.9
111.04433	43.1
111.08072	13.0
115.05440	2.3
117.07013	12.4
119.08563	33.9
121.06469	10.8
121.10113	22.7
123.08038	12.8
125.09621	10.9
129.07007	7.5
131.08528	14.7
133.06448	3.1
133.10110	5.8
135.08043	5.7
135.11685	12.5
137.09579	5.3
143.08539	5.7
145.10097	23.8
146.07065	1.7
147.08017	18.5
147.11615	3.3
149.09570	7.5
153.12700	14.9
157.10086	4.7
159.08057	3.6
159.11662	4.0
161.09595	7.5
163.11163	16.9
165.09096	13.4
169.48924	1.6
171.11644	3.8
173.09610	2.8
175.11205	1.9
181.12210	16.4
185.13177	2.6
185.55197	1.5
189.11183	5.2
191.10638	9.8
195.11641	1.9
209.11742	4.1
223.13203	6.1
227.12735	6.5
245.18991	3.3
249.14780	8.4
255.17339	4.0
263.09436	1.9
273.18491	39.1
291.19501	72.3
292.05984	3.5
292.09515	2.4
292.19772	3.5
320.09204	19.5
322.10699	4.3
336.08627	11.9
347.39301	1.6
351.10803	2.2
365.19220	1.7
365.23322	11.9
366.13297	37.4
366.20422	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76100	1.5
53.03936	3.5
55.01866	9.6
55.05252	2.4
55.05504	30.9
57.03436	10.6
59.04972	1.7
63.74562	1.4
64.45680	1.6
65.03927	1.9
67.05494	36.8
69.03432	10.4
69.06699	2.8
69.07059	33.4
71.43948	1.3
79.05482	29.4
81.03408	6.7
81.07044	37.9
81.07497	2.7
83.04974	9.5
83.08601	11.6
85.06512	3.1
85.46388	1.6
91.05466	27.9
93.07038	25.9
95.04966	14.6
95.08601	16.7
97.02878	13.0
97.06514	5.3
97.10162	12.7
99.04399	1.7
102.04258	1.6
105.04512	1.9
105.07008	23.0
107.04945	11.9
107.08572	17.3
107.70590	1.7
109.06493	7.3
109.10141	16.9
111.04438	2.5
111.08080	4.3
114.74921	1.4
115.05408	1.5
117.06988	9.2
119.08578	15.3
121.06509	4.4
121.10118	7.7
121.65817	1.5
123.04408	2.4
123.08055	4.5
123.11729	1.8
125.09613	7.1
129.07011	4.0
131.08562	11.6
133.06470	5.1
133.10126	18.7
135.08014	9.6
135.11693	3.6
135.21069	1.9
137.09575	3.1
139.07631	1.5
143.08522	4.5
145.06445	2.2
145.10123	7.3
147.08037	5.5
147.11656	4.8
149.09622	7.5
149.13243	2.6
151.11168	5.8
157.10066	2.5
159.11641	3.3
161.09619	5.5
161.13403	1.3
163.11182	3.8
165.09119	3.3
169.12225	2.5
171.11659	3.0
175.11165	3.1
177.09090	3.1
181.09978	1.5
185.13181	2.9
188.42928	1.6
189.11238	6.9
203.05241	2.0
205.12085	1.5
223.13248	21.5
227.12837	1.6
245.18877	4.4
249.07924	2.5
253.14246	3.4
255.17371	1.9
263.09280	1.8
263.20145	2.3
273.18469	20.5
276.06451	1.7
278.08075	3.0
291.08923	7.2
291.19513	67.8
292.06088	8.9
292.09045	2.3
292.19809	4.1
293.06992	1.8
305.06833	2.3
306.07608	2.3
308.09116	2.5
320.05585	3.4
320.09094	70.4
322.10770	6.0
336.08646	39.7
347.22202	2.8
350.10336	3.6
351.10989	5.2
365.10492	6.5
365.18631	3.2
365.23141	48.4
366.13321	100.0
366.23297	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01871	11.4
55.05508	13.4
57.03436	11.2
57.07070	7.2
59.04997	27.9
59.39897	1.5
65.03934	3.0
67.05495	43.7
69.03424	4.2
69.07061	18.0
71.04989	4.0
74.80572	1.2
79.05489	38.4
81.03413	7.0
81.07050	50.1
83.04971	12.7
83.08624	6.4
85.06551	4.1
91.05473	40.0
93.07036	36.7
94.94115	1.2
95.04957	13.6
95.08601	19.1
97.06514	5.4
97.10155	1.7
99.16805	1.2
105.04539	2.0
105.07021	35.5
107.04946	14.4
107.08585	27.6
107.09254	2.4
108.47185	1.2
109.06504	11.5
109.10146	23.1
111.04462	2.8
111.08076	5.6
111.61018	1.3
113.05959	1.6
113.09680	1.9
115.05474	1.5
115.11206	3.8
117.06970	9.9
117.09181	1.4
119.08569	11.4
121.06500	7.6
121.10136	10.5
123.08028	7.6
123.11716	4.6
125.09626	2.4
128.06248	1.6
129.07007	5.2
131.08549	13.3
133.06499	10.5
133.10115	34.9
135.08026	12.0
135.11674	5.7
137.09601	4.1
139.07532	3.5
143.08553	5.6
145.10129	5.5
147.08089	4.5
147.11671	4.0
149.09598	13.3
149.13242	2.4
151.11166	21.4
155.08514	1.4
157.10117	3.8
159.08037	4.7
159.11681	4.3
161.09631	6.1
161.13168	1.8
162.43904	1.5
163.11180	3.3
165.09172	2.2
169.12215	2.1
171.11702	2.6
173.13206	1.6
173.15414	1.5
175.11172	3.6
177.09048	6.3
179.10796	1.5
185.13243	3.0
189.12718	2.7
197.11670	1.6
199.11063	1.4
203.05338	1.3
215.12668	1.7
223.13261	1.8
227.17972	1.3
230.58412	1.3
238.45123	1.6
245.18979	5.7
249.07811	2.4
251.12679	2.5
253.14265	11.9
255.17574	2.4
261.07797	1.5
263.09418	3.3
263.20035	5.4
269.13818	3.3
273.18488	23.3
277.07220	2.4
278.08026	2.4
291.08881	4.9
291.19553	16.1
292.06061	9.5
292.09454	3.0
293.06882	2.7
305.06717	1.8
307.08640	1.7
308.09030	2.5
320.09134	61.2
321.06195	5.7
322.10709	5.1
336.08633	28.8
347.22250	2.2
350.10202	5.1
351.10947	8.6
365.10318	3.8
365.23126	39.5
366.13324	100.0
366.23389	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	365.232
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03934	1.3
53.10180	1.0
55.01871	8.3
55.05259	1.9
55.05508	32.4
56.13800	0.9
57.03435	10.0
65.03932	1.8
67.05498	37.7
69.03421	13.5
69.07060	41.8
71.04962	2.5
76.92705	1.0
79.05032	1.9
79.05485	31.8
81.03416	6.9
81.06561	1.4
81.07049	25.6
81.90947	1.0
82.07368	1.5
83.04980	8.6
83.08616	10.1
91.05465	16.7
93.06520	1.7
93.07041	20.3
95.04958	8.5
95.08586	14.3
97.02883	15.7
97.06509	3.6
97.10162	19.2
99.08155	1.1
105.04520	1.8
105.07027	12.8
107.04967	6.1
107.08578	16.0
109.02865	1.4
109.06499	4.4
109.10140	7.7
111.04443	2.4
111.08083	2.5
117.07008	8.9
119.04924	1.4
119.08573	9.9
121.06493	3.9
121.10155	6.6
123.08051	6.1
125.09626	13.8
128.06230	1.0
129.07005	5.0
131.08556	7.3
133.06462	1.8
133.10101	6.1
135.08051	5.0
135.11688	2.9
137.09599	3.0
143.08571	3.4
145.10098	4.7
147.08052	5.2
147.11632	1.6
149.09637	1.8
149.13161	1.4
157.10120	3.5
159.11682	2.4
161.09605	4.0
163.11232	2.9
165.09094	3.9
169.13307	1.1
171.10172	1.5
171.11662	1.9
173.11804	1.5
175.11180	1.6
177.12746	2.3
181.10162	1.3
185.13266	1.6
189.11215	7.3
193.12277	1.0
195.13686	1.6
205.12260	2.5
223.13261	36.3
224.13661	2.0
227.12735	1.6
227.17767	1.3
245.18990	2.9
249.07803	3.0
255.17513	1.9
263.20041	2.1
273.18454	15.5
273.23410	1.2
282.70020	1.1
291.08746	4.5
291.19510	100.0
292.05994	4.8
292.09332	1.8
292.19839	5.3
305.06827	1.7
306.07474	1.6
308.09171	1.2
320.05746	1.6
320.09128	42.8
321.06284	2.4
322.10727	4.1
336.08588	21.9
347.21933	1.2
348.03329	1.2
350.10236	3.1
351.10956	4.3
364.33215	1.1
365.10638	1.4
365.23151	42.1
366.13327	62.8
366.23303	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	365.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01869	9.1
55.05505	80.8
57.03429	5.7
57.07072	3.4
61.07660	1.7
63.62802	1.6
66.45618	1.4
67.05499	26.5
68.11415	1.7
69.07057	17.8
71.04979	2.5
71.08620	2.1
79.05482	22.3
81.03400	2.9
81.07047	36.3
83.04967	6.6
83.08611	55.5
83.66147	1.6
85.02882	3.4
85.06548	2.1
89.06026	2.6
91.05471	18.8
93.07025	25.0
95.04948	11.2
95.08603	17.4
96.21786	1.7
97.06524	5.2
97.10149	6.3
105.04507	1.7
105.07024	13.1
107.04969	3.9
107.08585	28.0
109.06489	4.8
109.10149	36.7
111.04424	7.2
111.08056	8.3
117.07001	12.2
119.08578	15.8
121.06496	4.7
121.10113	13.5
123.08057	10.3
123.11732	2.1
125.09627	9.1
125.10398	1.5
127.11157	2.2
128.06163	1.9
129.06993	3.8
131.08545	13.4
133.10130	11.7
135.08037	6.1
135.11719	4.5
137.09599	10.2
139.11156	3.6
142.07765	1.7
143.07025	1.8
143.08556	4.4
145.10124	13.1
147.08023	5.2
147.11697	3.3
149.09587	12.9
153.09109	5.9
153.12651	2.1
157.10104	6.3
159.11665	3.8
161.08070	1.8
161.09642	5.8
161.13240	2.4
163.11148	6.3
165.09073	3.7
166.82381	1.8
167.10617	1.8
169.10034	1.6
171.11636	2.5
173.09654	1.7
173.13251	1.9
175.11176	2.5
177.09041	1.8
177.12833	2.0
181.12373	2.0
183.11801	2.2
189.11221	5.7
189.16354	1.9
191.10614	4.6
193.12202	1.6
194.10974	2.6
195.10138	3.7
195.11879	5.4
201.16353	12.8
209.13194	3.1
219.17430	28.2
229.15962	2.3
247.16951	16.0
249.07803	2.7
255.17422	2.3
259.31677	1.8
265.18005	12.8
273.18494	16.4
290.08017	2.1
291.08875	5.2
291.19458	15.8
292.05890	8.8
293.06830	3.3
306.07657	2.2
320.09137	66.7
322.10602	8.9
326.53708	1.9
336.08630	38.4
350.10022	5.0
351.11020	5.4
365.23135	15.7
366.13318	100.0
378.75958	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41625	0.9
56.96282	2.3
56.96556	39.8
57.10402	0.8
58.06584	7.7
60.17787	1.0
71.95236	1.0
84.08125	7.9
84.96009	10.0
85.08452	1.4
86.09722	1.3
93.46449	1.1
98.97569	94.5
99.97872	1.8
102.96899	4.2
110.07133	3.5
110.97550	55.8
112.99155	4.7
116.98605	67.3
117.54217	1.0
118.98148	1.1
120.97917	1.3
127.12287	2.7
128.98589	100.0
129.10184	1.6
131.00160	8.8
134.99632	38.5
136.06160	5.3
140.98631	1.2
143.00113	1.6
144.98059	2.2
145.01680	1.3
145.10110	1.4
146.99632	71.9
148.00008	1.5
149.01202	7.0
152.00171	1.2
153.00699	4.4
157.10196	1.7
158.99654	6.2
161.01230	2.2
161.81284	1.1
162.99115	4.7
163.02612	1.4
165.00716	8.4
170.01219	1.2
170.99609	7.1
172.94270	1.7
174.00864	3.4
174.04373	1.5
176.99278	1.0
177.00674	5.6
177.04335	0.9
181.00084	2.6
181.10071	1.9
182.99649	2.4
186.04382	1.8
189.00676	14.8
190.95189	1.2
192.01897	58.7
195.11627	1.4
201.00674	7.0
202.00880	1.3
203.05327	1.7
204.05582	3.1
207.01703	2.9
210.02953	58.2
211.03314	1.2
219.01692	3.6
220.01254	4.7
223.00992	1.7
228.04008	6.8
231.01660	1.2
232.96452	1.4
234.02950	27.3
234.12234	1.0
236.10493	1.0
237.02736	4.6
238.02632	4.2
241.02116	1.0
246.02959	35.0
246.05383	2.2
247.03162	1.6
248.04594	4.4
249.02742	3.5
250.97729	1.3
251.14804	2.0
252.03984	16.1
264.04053	17.2
266.05490	2.4
268.94138	1.3
274.97742	2.0
276.03940	1.8
280.03369	1.1
282.05087	1.9
292.98639	1.3
303.07480	1.5
306.05304	2.4
306.09116	1.7
307.06717	1.7
324.06168	29.4
324.10254	4.1
325.07849	1.3
326.02231	1.4
342.07150	33.6
344.03091	1.6
347.20395	1.7
348.21902	5.0
365.21454	9.0
365.25241	4.9
366.07126	53.2
366.11163	5.6
366.22549	36.2
367.07361	2.5
367.22946	1.5
384.08194	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	366.1332
Annotation	Corynoloxine
Peak:m/z	Relative Intensity
50.37368	0.3
54.85013	0.3
69.05604	0.3
70.14534	0.7
77.78838	0.3
80.43111	0.3
80.93352	0.3
89.10715	0.3
97.79676	0.3
114.28078	0.4
122.03655	0.3
123.27679	0.3
153.40688	0.3
174.01624	0.3
233.08244	0.3
247.09882	0.4
248.07057	0.9
249.07796	3.7
250.08282	0.5
261.07736	0.4
262.08466	1.1
263.09366	2.7
264.06500	1.5
264.10132	0.6
265.07361	1.1
265.47739	0.3
275.05688	0.9
276.06409	1.3
277.07257	3.7
278.08008	2.6
279.08740	0.5
280.09695	0.6
290.08145	1.9
291.05612	0.6
291.08823	7.4
292.05966	9.4
292.09528	2.6
293.06665	2.6
304.05927	1.2
304.09290	0.4
305.06699	1.8
305.10245	0.8
306.07574	2.7
307.08334	1.7
308.09106	2.5
318.07654	1.3
319.08014	0.4
320.05930	2.6
320.09113	66.3
321.06149	2.6
321.09509	4.5
322.06967	0.4
322.10657	7.1
334.10693	0.8
335.07715	0.8
336.08603	34.5
337.08862	2.3
350.10172	4.9
351.10956	6.7
366.13306	100.0
367.13596	7.8
369.12503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57853	0.4
63.89479	0.4
66.57205	0.4
69.12032	0.4
81.06997	0.6
82.06071	0.3
84.54209	0.4
103.83636	0.3
238.02397	0.4
248.06908	0.7
249.07806	3.7
262.08496	1.3
263.09308	2.7
264.06537	1.2
265.07248	1.1
275.05576	1.1
275.69928	0.4
276.06427	1.0
277.07199	2.3
278.08035	2.0
280.09689	0.6
289.06857	0.5
290.08090	1.5
291.05746	0.8
291.08844	5.8
292.05951	7.2
292.09476	1.7
293.06769	2.3
304.06033	0.9
305.06793	1.5
305.10397	0.6
306.07581	2.6
307.07947	0.7
308.09052	1.7
318.07486	0.9
320.05786	2.3
320.09103	55.4
321.06122	2.1
321.09500	3.9
322.10687	5.1
323.10809	0.6
334.07111	0.4
334.10785	0.7
336.08591	28.4
337.08990	2.4
350.10135	3.3
351.10919	5.9
352.11411	0.7
366.13306	100.0
367.13672	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	366.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.05507	2.6
56.05032	3.5
57.07083	0.7
58.06591	1.7
60.04519	100.0
61.04865	0.7
67.05498	14.5
68.05025	1.2
69.03416	0.8
69.07059	3.4
69.28672	0.6
69.30247	3.5
70.06577	1.5
71.04986	1.3
72.04515	2.1
74.06052	1.7
79.05487	9.3
80.05018	1.8
80.05865	0.7
81.03410	1.4
81.07044	17.5
82.06571	1.3
83.04965	1.0
83.08638	1.6
84.08138	0.8
85.02904	1.0
85.06540	3.0
86.06065	1.3
90.05566	1.2
91.05473	7.8
93.07040	9.0
94.06561	1.1
95.04977	2.8
95.08588	11.7
96.08128	1.0
97.02888	0.9
97.06522	0.8
98.06115	0.8
99.08065	1.7
102.05534	1.2
105.07003	4.7
107.08566	4.5
109.06551	1.1
109.10123	4.5
111.08086	0.9
116.07111	1.9
117.07018	2.4
118.61040	0.6
119.08590	3.2
120.08119	1.9
121.06490	0.9
121.10136	5.2
123.11709	2.4
125.09600	0.7
127.03917	1.0
129.06967	1.2
131.08566	2.0
133.10124	4.1
135.08087	1.0
135.11656	3.7
143.08615	1.2
145.10092	1.6
147.11707	1.5
149.09639	0.9
149.13234	0.9
151.11142	1.2
159.11638	0.7
160.39035	0.7
161.13249	1.5
169.08649	0.8
169.12234	1.1
173.13232	1.1
185.13297	0.7
187.14886	0.7
228.95648	0.7
241.19684	0.7
258.22092	0.7
264.23108	0.8
276.23178	3.4
294.24240	5.5
298.55490	0.7
304.01947	0.7
312.25272	9.2
313.25677	1.0
330.26340	26.2
348.27396	38.4
349.27740	2.5
366.28458	54.7
367.28955	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01869	8.7
55.05504	15.6
57.03420	7.9
65.03909	1.6
67.05496	30.3
67.59050	1.0
69.03427	2.9
69.07061	10.5
69.55888	1.0
70.68787	1.5
71.05001	2.4
79.05479	22.1
80.46465	1.2
81.03400	1.8
81.07045	41.3
83.04963	7.8
83.08604	9.4
85.02879	2.3
85.06522	3.1
91.05465	19.4
93.07021	20.2
94.07328	1.4
94.16263	1.0
95.04962	10.5
95.08594	21.3
97.06503	7.1
97.10149	3.6
99.04432	3.3
99.08064	2.2
105.07014	17.7
105.07643	1.8
107.04937	5.8
107.08578	12.8
109.06501	6.1
109.10147	9.6
111.04436	8.3
111.08056	6.5
113.05960	1.2
117.06995	5.7
119.08556	13.8
121.05635	1.2
121.06445	2.8
121.10139	7.9
123.08060	4.6
123.11708	4.7
123.86210	1.1
125.09604	3.3
129.05499	1.0
129.06978	1.9
131.08578	8.2
133.10106	10.2
135.08029	5.0
135.11673	4.9
137.09575	4.4
143.08568	1.2
145.10085	9.5
147.11690	6.6
149.09592	8.8
149.13249	4.0
151.11153	3.4
152.85536	1.2
153.09109	1.3
155.08600	1.4
157.10129	2.4
159.11710	7.1
161.13278	1.6
163.11176	7.1
165.12772	3.9
173.13211	2.7
175.11133	1.7
177.12729	2.9
181.12180	1.1
183.13879	1.1
187.11166	1.3
189.11203	2.9
207.09912	3.7
222.09109	2.2
223.13200	6.5
235.09875	4.3
247.20529	2.2
249.07924	2.0
250.08458	6.3
251.09419	2.3
257.18936	5.4
262.08469	1.7
263.09479	1.7
264.10162	6.3
265.10947	8.4
266.08142	1.2
266.09186	1.3
266.11700	9.3
267.08942	1.4
269.17560	1.4
275.20029	27.5
276.20395	2.4
277.07767	1.1
278.07962	4.8
278.11511	2.2
279.08868	4.4
279.39981	1.3
280.09592	2.8
281.11670	1.2
282.11157	1.9
291.08627	2.3
292.06256	1.5
292.09479	4.9
293.06342	2.2
293.10330	5.5
293.21036	14.3
294.07507	5.4
294.11188	14.8
295.08365	1.4
306.07669	1.9
307.08374	3.1
308.09451	2.3
308.12839	3.4
309.10239	2.0
309.13541	8.6
310.10608	7.1
314.33737	1.2
320.09164	3.6
321.05945	1.9
321.09454	30.2
322.06863	2.1
322.10648	43.4
323.07739	2.4
323.11182	4.6
324.12122	6.6
325.09421	1.8
336.12152	1.7
337.08969	15.2
337.12918	64.5
338.10126	22.6
338.14133	1.2
339.14395	1.4
340.15411	4.3
349.23666	5.4
351.10602	2.0
352.11667	9.1
353.12515	14.6
367.13721	55.5
367.24792	15.2
368.14871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.1
55.05252	3.9
55.05500	49.7
57.03419	12.1
57.07061	6.4
59.04998	3.8
60.08152	3.0
65.03918	3.7
65.22668	2.4
67.05495	40.9
69.03418	4.9
69.07056	31.1
71.04986	9.3
77.83360	2.5
79.05476	45.1
81.03412	4.7
81.07046	50.0
83.04963	42.6
83.08608	31.2
85.02888	10.1
85.06542	7.0
91.05460	26.5
93.07030	47.0
95.04954	67.5
95.08582	26.0
97.06522	10.1
97.10150	15.0
99.04443	16.6
102.58058	2.9
102.63797	2.6
105.07009	25.5
107.04949	8.8
107.08572	47.0
109.06541	14.0
109.10169	16.7
111.04420	43.7
111.08057	11.0
117.07012	10.7
119.08546	26.4
121.06509	6.3
121.10117	29.0
121.75741	2.5
123.08048	10.5
125.09624	18.4
129.06969	3.7
129.73000	2.8
131.08553	21.5
133.10101	17.7
135.08012	5.5
135.11638	11.8
137.09602	4.6
139.11166	7.1
141.07057	2.9
143.08574	6.2
145.10107	21.2
147.08054	5.8
147.11653	11.9
149.09592	37.7
153.12762	5.9
155.08525	3.0
157.10078	3.7
159.11653	12.3
161.09599	3.4
163.11169	35.9
165.12808	4.9
167.08592	3.0
169.10013	4.2
171.11647	5.0
173.11810	3.0
173.13309	4.7
181.12250	5.6
183.11636	3.3
187.11086	3.1
189.11198	15.7
193.12222	5.1
194.49895	2.6
205.12161	6.7
211.13197	4.1
223.13237	77.7
224.13591	5.9
228.50696	2.8
237.14668	3.4
239.17906	3.8
247.20541	3.7
253.61102	3.0
257.18982	7.3
275.20007	78.3
292.09454	3.6
293.21072	36.5
294.07104	2.8
294.11084	5.4
294.21613	3.0
295.08487	3.8
308.09213	3.3
310.10818	6.5
319.07147	2.8
320.08994	3.7
321.09531	22.8
322.10663	26.7
323.07773	3.7
324.12341	4.2
337.08966	12.6
337.13077	9.4
338.10040	21.6
351.10806	3.3
352.11508	8.4
353.12543	4.7
367.13565	45.2
367.24673	38.1
368.14853	100.0
368.25027	3.9
368.42590	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80277	3.4
53.03938	6.7
55.01867	35.9
55.05504	98.8
55.05772	5.8
57.03429	34.9
65.03943	5.9
67.05495	100.0
67.05857	5.1
69.03423	10.0
69.07062	50.4
69.50582	14.4
71.04980	14.8
72.56414	2.8
79.05482	84.8
81.03410	11.4
81.07046	81.0
83.04971	59.4
83.08604	50.0
85.02889	20.5
85.06555	6.1
91.05462	55.5
93.07033	85.4
95.04951	97.1
95.08588	54.8
96.05288	4.5
97.06526	18.2
97.10136	23.4
99.04446	33.1
99.08091	4.8
105.04451	5.2
105.07016	50.1
107.04944	16.2
107.08582	84.0
109.06499	16.7
109.10160	27.5
111.04436	73.7
111.08058	20.5
117.06993	16.2
119.08578	36.5
121.06464	8.2
121.10130	54.9
121.10976	4.8
123.08115	8.3
123.11658	6.1
125.05975	6.9
125.09609	30.0
129.06964	6.6
131.08565	26.9
133.10107	29.7
135.08049	15.6
135.11673	23.7
137.09610	6.2
139.07394	3.9
139.11159	9.4
145.10110	38.5
147.08008	5.4
147.11697	16.7
149.09595	61.2
149.10785	3.8
151.11185	5.0
153.09093	4.8
153.12700	5.9
154.07849	4.2
157.10133	7.2
159.11702	19.8
161.13242	5.3
163.11174	53.7
165.12778	7.5
169.10115	6.3
173.09618	4.0
173.13225	6.1
175.11295	4.9
177.12755	5.5
181.12230	12.4
187.11174	5.9
189.11224	15.2
191.10603	4.7
197.13133	3.9
205.12198	14.2
207.13828	7.1
211.13361	5.6
221.73030	3.4
223.13264	79.4
229.19502	7.2
239.17969	10.3
247.20624	5.8
257.19046	13.1
275.20038	99.7
275.22913	6.9
276.20279	5.0
293.21069	31.0
294.07498	5.5
294.10870	3.8
294.21332	4.3
307.08279	3.5
310.10480	4.2
313.34329	4.2
320.09253	5.2
321.09464	23.5
322.10571	14.3
336.08423	4.2
337.08841	10.2
337.12860	7.6
338.10193	12.2
352.11682	5.3
367.13638	40.1
367.24799	37.0
368.10837	5.8
368.14896	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01866	20.0
55.05505	63.2
57.03432	21.7
57.07074	2.5
59.04994	3.0
61.57473	1.8
61.87812	2.1
63.77282	1.7
65.03933	4.6
67.05495	100.0
68.05841	2.7
69.03411	6.5
69.07059	30.4
70.07284	1.8
70.39067	3.2
70.39384	1.8
71.04965	6.0
77.03922	1.9
79.05479	66.5
81.03396	8.5
81.07046	79.7
83.04969	21.5
83.08606	49.9
85.02895	2.4
85.06535	5.4
91.05467	56.2
93.07033	67.1
95.04947	41.4
95.08592	58.6
97.02882	1.8
97.06524	13.0
97.10163	13.2
99.04428	3.9
99.08049	3.3
103.05436	2.3
104.83801	1.8
105.04511	2.5
105.07018	42.0
107.04928	19.7
107.08579	47.4
108.88132	1.8
109.06503	13.3
109.10142	27.5
110.10473	1.8
111.04419	5.9
111.08064	16.5
113.09650	2.0
116.98432	1.8
117.07006	16.7
119.08569	29.6
121.06497	9.5
121.10120	29.1
122.47619	1.9
123.08053	10.4
123.11669	6.9
125.09603	14.9
129.06981	4.5
131.00029	2.6
131.04874	2.1
131.08545	23.0
133.06499	3.0
133.10110	40.0
134.10472	1.9
135.08031	8.9
135.11668	15.6
137.09579	8.4
139.11154	5.5
141.07031	3.8
143.08543	4.5
145.10118	27.3
147.07986	3.3
147.11638	17.3
149.09587	41.0
149.13235	5.6
151.11140	11.5
155.08527	2.2
157.10103	3.9
159.11674	17.8
161.09569	3.7
161.13240	4.9
163.11148	37.5
165.12733	8.2
169.10051	4.6
171.11690	5.4
173.09569	4.1
173.11902	2.4
173.13263	8.5
175.11209	2.9
177.00598	1.9
177.12753	4.9
183.11642	5.6
187.11182	2.5
187.14731	2.0
189.00594	2.3
189.11186	5.2
191.14317	4.2
197.13222	3.5
201.04053	2.6
205.12119	4.8
207.13739	2.0
215.17902	2.0
223.13206	9.4
227.12752	3.1
229.19516	5.6
239.17931	9.7
247.20563	7.0
250.08376	3.5
257.19006	13.4
263.09238	2.9
265.10977	3.9
266.08063	4.3
266.11670	2.1
275.20026	69.3
276.20361	4.8
278.07996	6.2
279.08835	4.0
280.09683	3.6
291.08774	2.3
292.09415	2.9
293.06381	3.7
293.10260	6.1
293.21082	13.8
294.07541	4.1
294.11151	5.2
306.07458	4.6
308.09262	7.5
309.09918	2.6
309.13519	4.8
310.10904	2.0
320.09048	4.2
321.09430	40.1
322.10635	25.3
323.07776	2.3
323.11172	4.6
324.12180	5.1
336.08585	3.5
337.08926	21.6
337.13058	14.1
338.10138	20.7
349.23544	10.9
351.10593	2.2
352.11667	15.4
353.12286	7.0
367.13715	69.4
367.24710	33.7
368.14865	82.9
368.24542	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50521	2.7
53.03937	6.0
55.01868	23.2
55.05505	48.9
57.03432	21.3
57.07072	6.0
65.03926	5.1
65.89003	2.6
67.05495	91.1
67.46017	2.8
69.03401	5.6
69.07058	28.4
71.04974	8.7
71.08611	8.7
79.05479	56.8
81.03407	12.0
81.07047	90.3
83.04977	18.8
83.08616	23.0
84.59267	2.7
85.06536	12.8
91.05471	78.9
93.07035	51.5
95.04951	33.7
95.08591	38.1
97.02852	3.2
97.06517	9.5
97.10163	7.2
99.04462	4.8
99.08086	8.4
105.04548	3.3
105.07018	61.4
107.04957	16.6
107.08582	47.9
109.02902	2.8
109.06479	13.1
109.10130	43.3
111.04443	9.1
111.08046	6.6
117.07011	10.3
119.08583	21.3
121.06519	10.6
121.10139	18.4
123.08048	12.3
123.11685	13.2
125.09630	13.2
129.06990	4.1
131.08540	15.0
133.10107	67.9
135.08028	6.6
135.11688	15.1
137.09592	13.6
143.08521	3.9
145.10104	14.8
147.11713	9.6
149.09583	12.4
149.13293	5.5
151.11165	37.6
157.10168	3.6
159.11690	7.8
161.09602	4.1
161.13240	3.3
163.11142	17.8
163.14783	4.1
165.09097	4.8
169.12225	5.4
173.09598	2.9
173.13353	3.9
177.12764	5.0
182.39984	2.5
187.11224	4.0
193.12198	3.0
195.13721	5.1
223.13248	9.2
229.19481	4.0
247.20438	6.5
250.08284	3.3
253.14252	5.4
257.18951	6.2
275.20035	35.5
278.08054	3.9
280.09421	3.9
292.06226	3.8
292.09250	7.7
293.06274	5.2
293.10300	2.7
293.21106	16.8
294.07724	4.0
294.11328	2.9
308.09094	3.0
310.10696	4.3
313.17847	8.8
320.09241	7.4
321.05740	3.4
321.09464	47.8
322.06967	3.9
322.10666	28.9
323.11053	5.3
324.12299	10.0
331.19019	4.3
336.08658	7.6
337.08972	26.1
337.13098	10.2
338.10141	26.6
349.23843	4.7
351.10577	5.1
352.11380	14.0
353.12521	4.6
367.13654	88.8
367.17838	4.0
367.24725	34.9
368.14868	100.0
368.31430	6.9
368.42435	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01870	6.2
55.05251	1.5
55.05502	21.3
57.02626	1.0
57.03183	1.0
57.03432	14.6
57.07050	2.6
59.04995	1.4
65.03916	2.4
65.15188	0.9
67.05495	43.9
67.78941	1.0
69.03396	1.9
69.07056	34.0
70.17204	2.7
71.04971	2.9
77.03911	1.2
79.05482	40.5
81.03393	3.0
81.07044	100.0
82.07372	3.1
83.04959	6.3
83.08604	12.9
85.06529	4.1
91.05466	28.1
92.05788	1.3
93.07034	27.0
95.04945	10.3
95.08588	26.8
97.06524	7.6
97.10135	2.8
98.22798	1.2
99.08070	3.7
105.07017	27.2
105.07726	1.8
107.04944	8.3
107.08573	16.9
109.06493	12.0
109.10139	10.3
111.08044	5.8
117.07021	5.4
119.08558	20.7
121.06484	3.7
121.10133	12.2
123.08047	7.2
123.11677	7.5
125.09605	2.0
127.07586	1.3
129.06975	3.5
131.08563	11.9
133.10112	13.3
135.04459	1.0
135.08057	3.0
135.11665	6.4
137.09595	3.6
143.08592	1.2
145.10110	9.8
146.10381	1.3
147.08028	1.8
147.11673	21.6
149.09561	7.8
149.13254	7.7
151.11122	2.5
155.08591	1.1
157.10121	3.7
159.11659	7.1
161.13220	3.6
163.11148	6.2
163.14864	1.3
165.12744	6.4
169.10123	1.6
171.11714	1.9
173.13243	2.9
175.11130	4.2
177.12749	4.0
179.14363	1.1
181.12170	1.3
183.13820	1.1
187.14766	1.5
191.14284	1.2
193.12241	1.4
195.13785	2.5
197.13210	1.9
201.12660	1.4
205.12445	1.1
206.04523	1.4
207.13741	1.9
219.17290	1.2
229.19403	1.9
239.17932	2.0
247.20509	3.7
255.15721	1.1
257.18970	3.3
265.08417	1.5
265.10965	1.5
265.21198	1.1
266.11761	2.6
275.20038	27.0
276.20386	2.9
278.07874	1.8
279.08737	1.4
292.09302	3.5
293.06659	1.2
293.10431	1.4
293.21057	5.7
294.07373	2.5
294.11121	2.3
306.07275	2.2
307.07819	1.3
308.09348	1.8
308.12753	1.5
310.10626	2.0
320.09143	2.4
321.09372	14.9
322.10602	11.0
323.11191	1.8
324.12320	2.1
337.08939	9.7
337.13074	8.8
338.10117	8.0
349.23730	3.6
352.11652	3.1
353.12439	3.7
367.13687	33.2
367.24670	35.7
368.14874	44.0
368.24905	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01866	18.5
55.05251	3.2
55.05505	46.3
57.03432	19.0
57.07071	4.0
58.06597	2.0
59.04985	2.0
65.03918	3.6
67.05154	3.9
67.05497	62.2
69.03416	4.5
69.07059	35.1
71.04973	8.4
71.08620	10.7
72.62772	2.1
79.05482	49.8
81.03405	9.7
81.07048	65.5
83.04974	25.2
83.08608	24.7
85.02898	6.0
85.06528	6.4
91.05468	40.7
93.07036	46.4
95.04955	48.6
95.05525	3.6
95.08588	30.7
95.94035	2.1
97.06524	8.8
97.10139	12.5
99.04447	9.5
99.08072	11.6
105.07014	32.4
107.04931	15.2
107.08580	48.5
109.06505	10.4
109.10148	25.1
111.04428	22.4
111.08050	8.6
117.06985	8.6
119.08572	17.5
121.06482	8.3
121.10133	24.6
123.08045	10.3
123.11689	6.2
125.09627	18.5
126.72641	1.7
129.06973	4.2
131.08559	21.8
133.10109	24.7
134.10397	2.4
135.08055	7.4
135.11661	10.6
137.09598	9.0
139.11176	4.0
139.64877	1.9
143.08556	3.3
145.10088	19.4
147.08080	3.8
147.11674	12.0
149.09602	26.4
149.13287	4.0
151.11154	13.2
153.12732	5.7
157.10150	2.3
159.11673	8.0
161.09647	3.4
161.13260	4.4
163.09914	3.0
163.11166	30.7
165.12746	5.2
167.10651	1.9
169.10101	2.2
169.12186	2.4
171.11682	3.3
173.09554	2.3
173.13232	5.0
175.11197	2.5
177.12750	6.2
181.12210	4.4
184.40623	2.0
189.11168	7.0
191.10657	3.4
191.14311	2.1
193.12268	2.6
197.13185	2.4
200.14656	1.8
205.12219	7.1
209.11697	2.2
223.13211	39.0
223.15224	2.6
224.13666	2.3
229.19484	4.0
236.08327	2.6
247.20554	4.9
257.18961	8.1
265.21689	3.3
266.07968	2.4
275.17001	3.7
275.20032	77.1
276.20474	6.9
278.07788	3.3
279.09982	2.6
281.11841	3.6
292.09396	5.3
293.06631	4.4
293.21051	61.9
294.07416	3.3
294.12271	6.1
294.21353	2.9
295.09604	2.0
304.09610	3.3
306.07196	2.8
309.09723	2.0
310.10956	4.0
320.09113	6.2
321.09494	41.6
322.06766	4.6
322.10532	23.4
323.11145	4.4
324.12338	6.1
336.08594	2.5
337.08939	22.3
337.13065	11.1
338.10046	20.4
349.23669	4.0
350.13916	2.2
351.10501	4.1
352.11581	11.9
353.12466	6.5
367.09912	1.4
367.13651	75.1
367.24759	50.8
368.14859	100.0
368.31302	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
55.05505	11.1
57.03423	5.1
57.07068	1.5
60.35767	0.7
62.01952	0.7
64.71415	0.6
65.03917	1.0
67.05153	1.5
67.05496	21.4
68.05825	1.0
69.03409	2.0
69.06709	0.8
69.07062	13.3
71.04980	0.9
75.04485	0.8
79.05482	18.1
81.03436	0.9
81.07046	28.3
83.04969	6.9
83.08621	4.9
85.06540	1.2
91.04929	1.6
91.05465	20.7
93.07031	26.5
94.07347	0.7
94.14212	0.7
95.04951	8.0
95.08598	17.3
97.06520	4.5
97.10151	2.7
99.08075	0.7
103.05436	1.1
105.06337	1.6
105.07016	24.7
107.04931	6.9
107.08581	17.6
109.06497	9.5
109.10148	7.0
110.59593	0.9
111.04436	1.0
111.08073	2.3
115.05450	0.9
117.07003	6.5
119.08563	12.3
121.06484	10.0
121.10123	9.9
123.08057	5.7
123.11691	2.0
125.09627	1.0
129.06979	3.0
131.08551	17.4
133.06470	2.7
133.10109	17.5
135.08038	6.4
135.11670	5.6
137.09634	1.7
141.06938	1.0
143.08563	2.4
145.06465	2.2
145.10092	13.9
146.10439	0.9
147.08044	3.1
147.11668	11.0
149.09598	7.5
149.13239	3.3
151.11140	4.3
155.08534	2.1
157.10097	3.4
159.07983	2.2
159.11662	8.9
161.09631	3.8
161.13281	2.5
163.11176	5.4
169.10091	1.6
171.11562	1.8
173.09561	3.0
173.13245	5.9
175.11131	3.4
177.12701	1.8
183.11656	2.6
185.13339	0.9
187.11157	1.8
187.14870	0.9
189.12848	1.2
191.14302	2.8
197.13226	2.1
197.65936	0.7
199.14534	0.9
201.12720	2.8
205.15907	1.1
207.13811	2.3
208.26056	0.8
213.16316	1.2
215.14264	1.3
215.17926	2.5
217.15816	1.2
219.13802	3.6
219.17416	0.9
229.19501	2.2
233.18930	1.9
239.17923	3.3
247.20514	4.9
250.08661	1.1
254.71973	0.8
257.18942	12.0
266.07950	1.3
266.11713	1.4
275.20029	100.0
276.20444	6.9
278.08270	1.0
279.08990	2.1
280.09738	1.5
292.09393	1.2
293.06552	0.9
293.10385	1.5
293.21030	7.6
294.07819	1.4
294.11407	5.3
295.08069	0.9
309.10187	1.1
309.13400	3.6
310.10678	1.4
320.09164	1.0
321.09436	6.6
322.10632	6.7
324.12241	2.1
337.08914	3.9
337.13089	2.9
338.10135	6.7
339.14633	1.1
340.15375	2.7
349.16833	1.8
349.23703	32.4
350.24072	2.8
352.11526	2.0
353.12366	1.0
367.13611	13.3
367.18051	1.7
367.24722	23.4
368.07568	1.3
368.14896	25.1
368.24829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01846	1.1
55.01861	4.6
55.05510	11.1
56.14289	1.1
57.03420	3.5
57.07060	1.4
65.03899	1.4
67.05153	1.7
67.05492	23.4
69.07057	14.1
69.54328	5.4
71.04985	2.5
71.08633	1.7
77.71516	1.1
79.05486	19.0
81.03406	2.4
81.07046	30.7
83.04967	8.4
83.08599	5.8
91.04929	2.0
91.05465	21.7
93.07032	26.5
94.93844	1.3
95.04950	9.4
95.08590	18.4
96.00641	1.3
97.06509	4.1
97.10158	2.5
99.08103	2.0
103.75359	1.2
105.07021	25.3
107.04956	8.3
107.08585	17.7
109.06506	9.4
109.10132	8.4
111.04422	2.3
111.08032	2.7
117.06992	9.9
119.08570	12.0
121.06490	10.2
121.10132	11.0
123.08030	6.0
123.11653	1.2
125.09573	2.1
127.07633	1.2
129.06982	2.9
131.08557	17.8
133.06465	2.7
133.10118	17.4
135.08031	6.0
135.11656	4.7
137.09569	2.3
141.06972	1.9
143.08495	2.4
145.06458	2.5
145.10115	15.4
147.08014	3.8
147.11670	10.8
148.87415	1.3
149.09570	7.8
149.13260	3.3
151.11147	5.0
155.08540	2.0
157.10066	2.9
159.07977	2.7
159.11707	9.4
161.09605	3.3
163.11147	6.4
169.10091	2.0
171.11638	2.0
173.09663	2.4
173.13249	4.6
175.11201	2.3
175.14732	1.3
177.12708	3.0
183.11633	2.9
187.11172	2.3
189.12772	1.7
189.61983	1.2
191.14278	2.1
197.13304	2.2
201.12770	3.6
207.13840	4.0
215.17892	2.0
219.13800	1.9
229.19475	1.9
239.17863	2.3
247.20520	3.5
257.18948	14.0
275.20026	100.0
276.20355	5.2
280.09445	1.3
293.06354	1.2
293.17731	1.8
293.20996	9.6
294.07452	2.1
294.10974	2.2
309.09229	1.2
312.17899	1.5
316.15839	1.2
320.09341	2.5
321.09436	17.3
322.10599	9.3
323.11417	1.8
324.12402	2.3
337.08948	8.6
337.12958	3.9
338.10123	8.6
349.23682	29.0
350.23862	2.2
352.11548	4.6
353.12201	2.0
367.13638	30.5
367.24652	24.9
368.14893	32.5
368.24609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01858	5.4
55.05502	14.1
57.03424	5.7
57.07027	2.2
67.05491	25.8
69.03384	2.0
69.07056	15.7
71.04940	2.1
79.05478	23.4
81.03392	1.1
81.07041	29.4
82.07346	0.8
83.04973	8.1
83.08597	4.7
85.06512	1.4
91.05460	23.3
93.07028	30.6
95.04951	9.2
95.08037	1.2
95.08588	19.3
97.06507	4.7
97.10117	1.8
98.22544	1.5
105.04430	0.8
105.07012	28.7
107.04921	6.2
107.08575	17.5
109.06499	10.8
109.10140	8.6
111.08045	2.2
115.05434	0.8
117.06984	9.0
119.08562	15.4
121.05720	0.8
121.06495	11.9
121.10126	8.1
123.08042	7.5
123.11658	2.0
125.09558	1.5
129.06929	2.5
130.07770	0.7
131.08539	19.2
133.06448	3.3
133.10106	19.9
135.08011	5.0
135.11659	5.5
137.09537	2.8
137.13199	0.9
141.06923	1.3
143.08505	2.9
145.06432	2.9
145.10106	14.1
146.10358	0.9
147.07976	4.1
147.11653	11.7
149.09599	7.8
149.13243	2.8
151.11165	4.2
155.08556	1.8
157.10081	3.4
159.07993	3.1
159.11674	8.1
161.09628	3.4
161.13158	2.8
163.11153	6.3
163.14787	0.8
164.11525	0.7
165.12750	1.0
169.10057	1.9
171.11653	2.7
173.09572	2.6
173.13216	5.3
175.11183	3.3
177.12669	2.1
183.11604	2.7
185.13203	0.9
187.11116	1.8
187.14751	1.0
189.12694	0.9
189.18741	0.7
191.14227	3.0
201.12697	3.3
205.12032	1.1
207.13817	2.6
215.17932	1.6
217.15973	0.9
219.13763	2.6
229.19487	2.6
231.17413	1.4
237.14790	0.9
239.18019	4.0
247.20593	4.1
254.12039	0.7
257.18958	14.7
275.20010	100.0
276.20319	7.0
293.21036	10.2
321.09521	1.8
322.10550	0.9
349.23663	35.0
350.24075	3.0
367.13669	3.3
367.24716	23.4
368.14832	4.1
368.25067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01870	5.8
55.05503	13.4
57.03431	5.7
57.07064	1.9
63.69511	0.8
65.03906	1.9
67.05155	1.7
67.05492	25.6
68.15141	0.8
69.03397	2.5
69.07059	14.8
69.45237	3.4
71.04974	2.0
71.51694	0.8
76.06508	0.8
77.03919	1.2
79.05483	25.8
81.03383	1.0
81.07043	27.1
83.04977	7.3
83.08613	5.6
85.06501	0.9
91.05463	25.0
93.07030	28.2
95.04950	10.0
95.08004	1.4
95.08588	16.9
97.06512	2.4
97.10154	1.9
98.77906	0.8
99.04455	1.2
99.08080	1.0
105.07011	26.9
107.04935	7.1
107.08572	18.9
108.08871	1.0
109.06501	10.9
109.10124	8.2
111.08043	2.4
113.28433	0.8
117.06995	9.1
119.08554	14.7
119.88732	1.0
121.06491	11.3
121.10123	9.7
123.08053	6.0
123.11691	2.4
125.09606	1.7
128.06126	0.9
129.06984	2.8
131.08548	19.8
133.06456	3.4
133.10118	15.3
135.07994	5.3
135.11681	5.7
137.09593	2.6
139.34814	1.1
141.06917	1.3
143.08521	3.5
145.06517	1.4
145.10092	13.5
147.08035	4.2
147.11659	13.6
149.09586	8.1
149.13246	4.3
151.11143	6.6
155.08539	1.8
157.10094	4.2
159.08029	1.8
159.11667	9.7
161.09599	2.9
161.13260	3.1
163.11134	5.6
165.12752	1.4
169.10060	2.1
171.11661	3.6
173.09587	2.6
173.13248	5.6
175.11195	2.6
175.14771	1.2
177.12715	3.4
183.11653	2.7
185.13199	1.6
187.11160	2.4
187.14803	1.7
191.14273	3.1
197.13242	2.1
199.14781	1.0
201.12697	3.0
205.15758	1.4
207.13742	2.5
213.16333	0.9
215.14250	1.8
215.17969	1.6
219.13741	3.1
229.19463	2.4
231.17490	1.5
233.15236	1.1
239.17992	4.7
247.20485	3.5
257.18958	15.7
265.10733	1.1
266.11746	1.1
272.68240	1.0
275.20023	100.0
276.20413	5.0
292.09348	1.6
293.06250	1.2
293.21039	10.5
294.07587	1.2
294.11111	1.7
306.07083	1.1
307.08121	1.0
310.10690	1.3
320.09021	1.2
321.09497	11.6
322.10660	6.8
324.11951	1.2
337.08884	5.4
337.13022	2.8
338.10144	6.4
349.23663	34.8
350.23825	1.5
352.11499	2.5
353.12363	1.3
367.13602	19.8
367.20535	1.2
367.24707	15.1
368.14886	25.8
368.24857	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03370	1.4
51.93505	1.3
53.03935	4.4
55.01862	26.7
55.05503	64.4
56.05846	1.5
56.38836	1.5
57.03427	24.0
57.07062	1.9
65.03916	2.4
67.05493	74.5
69.03410	5.1
69.06700	2.9
69.07056	39.6
69.79643	3.1
69.80009	3.2
71.04990	10.8
73.02963	1.6
79.05480	64.0
81.03399	9.3
81.07040	61.9
83.04462	1.5
83.04964	39.4
83.08611	50.1
85.02895	12.8
85.06544	3.4
91.05464	42.5
93.07028	71.3
94.07343	2.2
95.04951	75.0
95.08591	43.5
96.05283	1.8
97.06509	17.6
97.10152	18.1
98.23390	1.6
99.04430	22.3
99.08069	3.0
105.04504	2.8
105.07014	41.5
105.07728	2.5
107.04941	17.3
107.08576	68.3
109.06512	13.1
109.10133	24.0
111.04429	47.2
111.08067	16.9
112.04811	1.7
113.06033	2.3
117.06995	15.3
118.07346	1.6
119.08562	34.6
121.06485	11.0
121.10118	35.0
122.10448	1.5
123.08065	9.9
123.11676	5.4
125.05958	4.6
125.09611	20.3
127.07504	1.9
129.06984	4.9
131.08549	22.7
133.06491	1.9
133.10126	24.0
135.08043	10.2
135.11668	18.4
137.09624	5.2
139.07494	1.7
139.11137	8.5
141.06946	1.7
143.08528	6.3
145.06465	1.6
145.10092	32.2
146.10530	1.7
147.08040	6.9
147.11649	17.6
149.09592	44.4
149.13261	3.9
151.11142	4.6
153.09082	4.1
153.12712	8.2
155.08504	2.8
157.10101	5.2
159.11653	13.8
161.09590	3.1
161.13258	4.0
163.11166	46.8
164.11491	1.9
165.12706	5.7
167.10660	3.6
167.23943	1.4
169.10094	4.7
171.10190	2.2
171.11670	3.3
173.09569	4.0
173.11732	3.4
173.13254	6.0
175.11191	3.1
175.14780	1.9
177.12744	7.5
181.12213	5.8
183.11676	4.7
183.13815	1.5
187.11137	5.1
187.14761	2.3
189.11206	13.2
189.12711	1.7
191.10664	4.8
197.13235	2.3
201.12814	2.2
203.73863	1.7
205.12144	8.1
207.13805	2.7
211.13202	4.2
213.16205	1.6
215.17892	1.7
219.13864	1.8
223.13235	68.3
227.12717	3.7
229.19478	6.4
236.07007	2.9
237.14862	2.5
239.17946	6.7
247.20532	5.9
252.10193	1.9
257.18988	13.4
275.20020	100.0
276.20410	5.7
280.09570	3.4
292.09424	2.8
293.06281	1.7
293.21024	28.7
294.07401	2.0
294.10837	1.9
294.21335	2.1
307.08453	1.9
308.09061	2.4
321.09409	16.6
322.10501	9.8
323.10895	2.2
324.12103	2.5
337.08899	8.9
337.12747	2.8
338.10065	7.2
349.23584	9.8
352.11639	3.2
367.13660	25.6
367.24744	38.2
367.29041	1.3
368.14841	33.7
368.18890	1.9
368.25168	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66949	1.4
53.03920	1.7
55.01868	20.6
55.02113	3.3
55.05256	2.7
55.05502	39.8
57.03212	1.5
57.03434	16.7
59.04988	1.9
65.03928	2.3
67.05153	3.2
67.05492	41.6
69.03412	4.5
69.07052	27.1
71.04970	6.7
71.08612	2.5
71.44463	1.7
73.99580	1.4
79.05036	2.9
79.05483	48.0
81.03402	4.7
81.07049	49.6
83.04968	23.1
83.08604	30.8
85.02879	5.9
85.06535	2.0
90.09111	1.6
91.05465	29.7
93.04316	1.7
93.07032	44.3
94.66026	1.5
95.04333	2.4
95.04950	48.7
95.08592	29.9
96.05257	1.5
97.06527	16.2
97.10165	14.5
98.06839	1.7
99.04440	9.8
99.08044	2.3
105.07009	24.9
107.04922	16.2
107.08578	42.4
108.08929	1.9
109.06518	9.6
109.10150	15.1
111.04433	30.2
111.08071	10.4
115.08868	1.8
117.06994	12.0
119.08567	17.7
121.02863	11.2
121.06489	12.2
121.10126	23.3
123.08043	7.0
123.11704	4.1
125.05960	3.0
125.09604	19.7
129.06949	3.1
131.08539	16.4
133.10124	17.5
135.08034	7.9
135.11674	13.9
137.09586	5.2
139.11151	2.5
143.08528	2.3
145.10123	18.8
147.08023	4.5
147.11630	9.9
149.09593	29.0
149.13239	2.2
150.87288	1.6
151.11166	4.2
152.22821	1.5
153.09081	2.6
153.12724	4.4
153.79883	1.7
155.08568	1.8
156.56654	1.6
157.10049	4.3
159.11690	12.5
161.09590	4.7
161.13235	4.2
163.11137	26.8
165.12730	5.9
167.10680	2.0
169.10103	3.3
171.11646	3.0
173.09579	3.2
173.11803	1.6
173.13152	2.9
177.12695	6.4
181.12212	5.7
187.11217	3.7
189.11209	11.7
191.10522	2.1
191.14195	2.0
197.13272	1.8
201.12785	2.2
205.10461	1.6
205.12109	8.1
207.13741	1.9
211.13251	2.5
223.11247	2.8
223.13264	41.6
227.12737	5.0
229.19524	4.2
237.15005	1.5
239.17854	2.0
247.20525	6.1
257.19016	10.2
275.20020	100.0
276.20340	7.1
278.07944	1.6
279.08679	2.2
291.09064	2.1
293.21091	31.9
294.07474	3.7
294.11145	2.9
295.08600	1.7
308.08987	2.4
310.10687	3.7
320.08942	3.2
321.09497	18.6
322.07059	3.2
322.10519	15.8
324.12061	4.2
337.08899	9.7
337.12921	4.8
338.10107	12.7
349.23770	10.0
351.10693	2.0
352.11539	5.9
353.12430	3.7
367.13660	29.6
367.20984	3.2
367.24759	39.6
368.14877	64.1
368.22131	5.2
368.25644	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84244	0.9
51.02362	1.0
53.03933	2.8
55.01863	7.8
55.05503	20.9
57.03429	17.0
57.07067	1.8
61.92339	0.8
65.03921	1.8
67.05494	43.8
69.03430	2.5
69.07060	28.6
69.42528	1.6
69.42937	3.1
71.04984	4.3
71.08636	1.1
71.35732	0.8
73.02940	0.9
79.05482	38.7
81.03417	3.8
81.07043	100.0
82.07376	1.8
83.04963	6.2
83.08611	10.9
85.02912	0.9
85.06533	3.9
89.94009	0.9
91.05471	24.8
91.06048	1.2
92.05843	1.4
93.07035	27.4
95.04959	11.4
95.08593	27.7
95.27171	0.9
96.08926	1.1
97.06525	12.0
97.10153	3.1
98.22733	1.6
99.08049	5.0
103.05445	0.9
105.04508	1.4
105.07014	24.4
107.04929	6.2
107.08572	19.0
109.06503	13.6
109.10132	11.0
111.04439	1.2
111.08086	3.9
113.09649	1.2
115.05329	0.9
117.07017	5.5
119.08555	16.4
121.06497	4.8
121.10127	11.4
123.08041	7.0
123.11673	6.5
125.09631	2.7
129.06978	2.3
131.08557	9.7
133.06523	1.2
133.10121	12.0
135.08058	3.4
135.11690	7.6
137.09622	4.4
137.13205	2.0
139.11200	1.1
141.06993	1.4
143.08519	1.8
145.10098	9.4
145.57947	1.1
147.08035	1.8
147.11659	21.7
148.12137	1.4
149.09621	8.3
149.13222	8.4
151.11171	1.8
153.12755	0.9
155.08574	1.3
157.10141	2.4
159.11690	8.0
161.13281	3.1
163.11183	8.1
163.14815	1.3
165.12729	5.7
169.10046	1.3
171.11620	1.5
173.09715	1.1
173.11737	1.0
173.13232	4.0
173.82211	0.8
175.11166	4.7
177.12775	3.6
179.14325	1.5
183.11739	1.9
187.11162	0.9
189.12740	1.1
191.14178	1.1
193.12233	1.2
195.13770	2.4
197.13321	0.9
199.15224	0.9
201.12740	1.1
207.13849	1.4
229.19513	1.4
237.14857	1.2
239.17892	3.0
247.20526	3.0
257.18994	3.4
275.20023	34.0
276.20392	3.1
279.08820	2.7
279.37744	0.8
292.09509	2.8
293.06464	1.5
293.10297	1.4
293.21075	6.0
294.07672	1.6
294.11090	1.7
301.69003	1.0
306.07733	1.0
307.08267	1.6
310.10709	1.9
321.05826	1.2
321.09409	12.6
322.07190	1.3
322.10715	11.6
323.11072	1.1
324.12277	2.2
337.08972	7.8
337.13184	4.4
338.10144	10.1
349.23630	5.5
352.11575	4.4
353.12524	1.6
367.13623	21.1
367.21048	1.1
367.24704	26.0
368.14850	44.2
368.25107	1.9
382.20868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01868	22.4
55.05503	45.2
56.96569	4.7
57.03424	19.0
58.12412	2.4
65.03931	4.6
67.05154	3.9
67.05495	49.5
69.07051	27.8
71.04996	7.4
71.44356	2.7
72.50777	2.3
79.05481	48.1
81.03388	4.0
81.07043	49.1
83.04966	29.1
83.08607	27.5
85.02893	8.9
85.06520	3.5
91.05468	36.6
93.07024	50.9
95.04958	57.2
95.08588	32.9
97.06508	16.0
97.10139	14.3
99.04420	15.8
105.07013	32.2
105.35614	2.5
107.04945	10.7
107.08571	47.6
109.06499	9.6
109.10164	17.2
111.04416	39.0
111.08074	10.5
113.05913	3.1
117.06982	13.0
119.08556	23.7
121.06488	7.2
121.10108	26.8
123.08040	8.7
123.11754	3.9
125.09592	15.8
129.05452	3.2
129.06966	3.6
131.08510	16.5
133.10109	13.1
135.08037	8.9
135.11705	13.5
137.09602	4.7
139.11229	6.6
143.08504	4.2
145.10104	22.9
147.07991	4.7
147.11694	9.7
149.09601	36.5
153.12726	5.5
157.10052	3.8
159.11682	9.9
163.11157	29.1
165.12672	4.5
171.10292	2.8
173.09665	2.5
173.11801	2.6
173.13260	4.4
175.11142	3.6
177.12732	3.6
181.12257	6.8
187.11105	4.9
189.11263	8.5
191.10509	2.8
199.04179	2.8
203.66919	2.4
205.12271	9.2
215.17885	2.9
223.13228	52.8
227.12749	3.6
229.07501	7.7
229.19504	5.5
239.17815	4.3
247.08359	5.0
247.20555	4.3
257.18921	6.7
275.20029	62.1
276.20306	5.6
277.08472	4.0
279.08755	3.3
292.09338	3.6
293.20956	16.6
294.11179	5.2
295.08322	3.1
306.07425	3.6
308.09106	3.5
310.10635	5.4
321.09457	18.9
322.10660	27.6
324.12271	5.6
331.16043	2.9
337.08936	14.6
337.13077	10.4
338.10205	22.8
352.11575	7.5
353.12448	4.4
367.13593	32.1
367.17853	13.0
367.24759	16.6
368.10278	4.8
368.14813	100.0
368.18655	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	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.05502	24.8
57.07057	11.4
59.04971	3.4
60.24938	2.9
65.03913	2.8
67.05497	53.3
69.03416	8.4
69.07052	30.1
69.68272	5.8
71.04991	9.4
74.17370	2.4
77.03939	4.8
79.05486	45.2
81.07044	56.3
83.04987	8.8
83.08614	10.3
85.06538	6.6
91.05466	64.4
93.07034	93.7
94.06395	2.5
95.04958	44.1
95.08591	55.3
95.47852	2.7
97.06548	8.3
98.23428	3.9
103.05474	6.1
105.04471	3.2
105.07018	89.5
107.08578	65.3
108.08977	3.4
109.06524	15.3
109.10140	43.5
111.04442	3.9
111.08075	7.2
115.05452	10.4
117.07027	22.1
119.08564	100.0
121.06498	12.1
121.10144	53.1
123.08096	8.4
123.11732	14.3
125.04942	2.8
128.06221	14.2
129.06982	19.9
130.07796	10.7
131.08551	58.0
133.06450	3.8
133.10106	69.6
135.08015	17.3
135.11697	18.4
137.09599	8.5
137.13252	2.9
141.07024	8.1
142.07762	25.9
143.08542	38.7
144.09288	10.2
145.10098	65.4
146.07256	6.8
147.08049	10.5
147.11665	19.2
149.09570	15.3
149.13225	4.3
153.06992	3.3
155.08549	10.3
156.09325	15.1
157.10117	41.6
158.10805	8.4
159.08055	5.3
159.11684	36.0
160.12459	3.8
161.09589	44.7
161.13243	9.1
163.11226	7.9
163.98203	3.2
165.07019	3.0
167.08560	6.4
168.09225	4.0
169.10150	14.6
170.10907	6.0
171.11681	30.9
172.12372	3.7
173.09645	7.0
173.13228	25.9
175.11198	6.5
175.14763	20.7
179.08554	10.9
180.09285	4.9
181.10139	11.3
182.10876	8.5
183.11647	23.1
184.12428	6.2
185.13226	16.7
187.11095	4.1
187.14854	15.4
193.10155	6.9
194.10896	9.5
195.11694	14.7
196.12350	5.2
197.13229	20.6
198.13916	3.7
199.14838	9.6
201.12782	7.1
201.16373	6.6
205.15977	3.2
207.11632	4.4
209.13193	19.5
210.13745	4.1
211.14784	8.7
213.12703	3.7
213.16231	4.0
221.13225	5.1
223.14886	5.3
225.16351	6.4
227.14346	14.7
235.14789	4.8
237.16360	4.9
239.17923	8.5
241.19420	3.2
251.17786	3.3
253.19260	3.2
265.19403	4.7
269.19006	5.7
283.20557	3.0
321.09518	9.2
322.10757	10.2
324.12152	4.5
337.09116	9.7
338.10205	14.7
349.25287	6.3
367.13611	19.2
367.26202	11.9
368.14841	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	367.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05509	17.4
55.74281	3.5
57.03410	2.8
57.07059	6.8
59.04973	8.2
59.06447	2.7
66.84161	2.8
67.05502	27.2
69.07070	15.0
71.04973	7.3
71.08617	4.2
72.52422	2.8
79.05471	20.2
81.07044	34.4
83.04986	5.6
83.08596	5.7
84.63208	3.3
85.06530	17.2
91.05473	26.4
93.07030	33.2
95.04961	17.6
95.08578	22.5
97.06516	7.1
97.10178	5.6
102.73654	2.9
105.04546	4.1
105.06999	38.2
107.08573	24.1
109.06507	8.2
109.10156	16.4
111.08054	5.3
117.06995	8.2
119.08569	40.0
121.06461	3.0
121.10091	17.2
123.08032	4.5
123.11720	6.7
125.09643	4.5
128.06229	4.8
129.07001	8.9
130.07788	5.2
131.08562	19.0
133.10135	23.6
135.08005	6.3
135.11673	8.9
137.09657	3.6
142.07751	12.4
143.08505	15.5
144.09311	7.8
145.10120	27.2
147.11690	8.9
149.09633	7.5
150.60822	3.0
155.08553	4.8
156.09329	6.3
157.10081	21.3
159.11684	21.1
161.09583	12.5
161.13194	3.2
163.11136	5.1
169.10106	11.3
170.10806	3.8
171.11678	10.3
173.13255	8.8
175.11246	3.7
175.14799	4.8
179.08560	5.0
181.10173	5.3
183.11613	8.7
185.13280	5.3
194.10938	5.8
196.12544	3.6
197.13194	9.3
199.14751	3.6
209.13258	6.4
223.14803	3.8
227.14296	4.1
239.18111	3.5
249.07684	3.5
275.20114	5.0
292.09470	4.7
293.06479	3.5
294.07632	4.5
310.10870	5.5
320.09207	9.5
321.09457	34.6
322.07089	6.2
322.10638	30.1
323.10941	4.1
324.12454	4.6
337.08911	11.2
337.13031	9.0
338.10175	24.2
349.25067	4.5
352.11465	11.3
367.13617	57.9
367.25458	6.4
368.14847	100.0
368.42255	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	368.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03429	0.7
61.02906	1.0
62.89538	0.3
69.03423	3.3
69.54232	1.2
73.02888	0.4
81.03395	1.3
85.02892	7.2
87.04449	0.4
93.06092	0.3
97.02872	2.5
98.22738	0.6
98.71246	0.3
99.04421	1.0
103.03893	0.9
109.02850	0.9
127.03889	2.6
132.04434	9.2
134.63498	0.3
145.04893	1.7
160.03893	0.6
163.05919	0.4
178.04962	69.7
179.05302	3.0
206.04453	100.0
207.04785	3.9
252.79674	0.3
326.67548	0.3
368.09512	0.5
380.17715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
62.18976	0.2
69.67657	0.7
71.78213	0.2
79.05474	0.2
81.07034	0.3
101.05927	0.2
109.10084	0.2
118.95250	0.2
124.66321	0.2
138.17220	0.2
152.06340	0.2
167.87315	0.2
179.07285	0.3
180.08017	0.6
181.06392	0.2
181.08827	0.5
191.07256	0.6
192.07980	0.2
206.05963	0.6
207.06778	2.5
208.07547	3.9
209.08290	3.4
210.08809	0.4
218.06001	0.4
219.06731	2.9
220.07536	1.0
221.08157	0.4
222.05530	1.4
222.09134	0.3
224.10634	0.3
225.09146	0.3
234.05547	0.4
235.06210	2.3
236.07021	81.5
237.07645	10.3
238.08458	0.8
248.06989	2.0
249.07848	2.1
250.04997	1.1
250.08507	0.8
251.05655	0.7
252.10159	18.2
253.10606	1.0
264.06522	18.2
265.07285	14.9
265.10324	0.3
266.07922	1.3
268.13403	0.2
278.08127	0.5
279.08914	0.6
280.09634	79.9
281.09964	4.7
292.06018	0.3
293.06943	0.4
293.10486	0.2
294.07599	0.8
294.11368	0.3
296.12781	0.4
304.06070	0.5
307.08463	0.3
308.09116	100.0
309.09500	8.6
310.10696	0.3
322.06992	2.0
322.10605	1.5
323.07553	0.4
323.11136	0.2
324.12320	0.8
336.08569	2.3
337.13000	0.5
338.06534	0.4
338.10129	1.4
340.11514	0.2
352.11780	0.5
354.06332	0.2
354.09708	2.2
368.11136	4.0
368.14874	5.3
368.22360	0.3
369.11469	0.5
369.15485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22410	0.6
55.05478	0.7
55.33828	0.6
56.60283	0.6
65.33424	0.6
67.05453	1.0
69.07018	1.1
69.79494	2.1
69.79859	0.7
79.05423	1.1
81.07003	1.3
91.05436	0.9
93.07003	0.8
94.07349	0.6
95.04936	0.7
95.08562	1.3
96.15911	0.7
105.06979	1.4
180.07832	0.8
190.74158	0.7
194.09602	0.7
207.06741	2.6
208.07582	5.3
209.08203	3.5
210.09158	0.9
219.06737	2.7
220.07520	0.9
222.05414	1.6
222.09087	0.7
235.06227	2.3
236.07025	89.3
237.07635	8.9
248.06992	2.5
249.07761	2.0
250.04744	1.1
250.08569	2.3
251.09337	0.9
252.10167	21.9
253.10681	1.9
264.06509	21.4
265.07263	17.3
266.07977	2.8
268.13507	1.1
275.20032	1.3
276.20560	1.5
278.08179	1.1
279.08975	0.8
280.09641	92.5
281.10034	5.1
294.07605	1.5
294.11096	1.6
296.12848	0.9
308.09128	100.0
309.09595	8.1
310.10672	2.3
322.06891	1.1
322.10608	10.3
323.07733	0.9
324.12396	3.5
336.08524	8.5
336.12097	1.1
337.13165	4.1
338.06351	1.0
338.10147	9.2
338.13843	1.3
352.11594	1.6
353.12479	2.2
354.09692	1.4
368.11603	1.9
368.14880	31.0
368.18369	1.2
369.15256	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1491
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
55.93793	0.3
61.06856	0.4
69.03430	0.4
69.22383	2.3
77.88811	0.3
81.03409	0.9
81.42804	0.4
84.93079	0.4
85.02895	0.8
91.05478	1.7
97.02868	0.5
108.53284	0.4
109.02881	0.4
119.04926	2.2
123.11712	0.5
142.16452	0.3
143.58018	0.4
145.12215	0.7
147.04408	1.7
175.03931	2.4
207.06454	5.6
234.06860	0.9
237.09200	0.7
247.07481	0.4
249.05806	0.4
249.09019	0.6
250.08600	0.9
251.09389	0.9
261.07944	0.4
262.06284	0.7
263.09464	0.6
265.08493	1.6
266.08209	1.3
267.09573	0.4
276.10294	0.5
277.08667	2.2
278.08157	1.7
278.11761	0.4
279.08817	2.2
280.09598	0.7
281.08124	0.5
291.09128	0.5
292.06161	0.5
292.09705	1.6
293.07846	1.2
293.10547	1.0
294.07611	4.5
294.11237	4.2
295.08313	2.2
304.09723	0.8
305.08017	1.3
306.07614	1.4
306.11035	0.4
307.08279	1.7
308.05814	0.5
308.09488	2.1
308.12952	0.5
309.09882	1.4
310.07224	0.4
310.10690	5.0
320.09238	1.7
321.10297	0.4
322.07297	1.4
322.10681	23.8
323.07739	1.8
323.10971	2.2
324.08936	0.6
324.12335	5.3
336.08655	0.6
336.12289	2.3
337.09277	0.7
337.13043	8.1
338.10153	23.4
339.10419	2.1
351.11990	1.1
352.11768	6.1
353.12543	4.4
354.13034	0.4
368.14880	100.0
369.15277	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1489
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
64.85960	0.3
69.89777	0.7
70.60658	0.3
98.88657	0.3
133.75658	0.2
164.33279	0.3
191.08456	0.3
193.08698	0.3
203.08557	0.3
204.08392	0.3
206.09514	0.7
207.08084	0.4
207.10316	0.6
217.08849	0.4
218.09598	1.1
219.08109	0.4
220.07315	0.5
221.08301	0.7
222.09119	3.0
223.07610	0.4
223.09773	1.8
224.08092	0.3
226.09845	0.3
233.08243	2.3
234.06842	0.4
234.09007	2.4
235.07672	0.6
235.09856	6.6
236.08220	1.1
236.10548	1.3
237.09019	0.5
238.08342	0.5
238.11971	1.2
239.09227	0.6
246.09096	0.3
247.09860	0.6
248.06943	0.9
248.10669	1.1
249.07430	1.6
249.11368	2.9
250.06084	0.5
250.08574	7.0
251.09204	7.5
252.06566	0.8
252.09990	1.1
254.09167	0.4
254.11716	0.6
261.07874	0.5
262.08600	2.4
263.09302	3.2
264.06979	0.6
264.10162	7.0
265.10928	15.8
266.08270	2.3
266.11697	25.3
267.08997	2.2
267.11734	2.0
268.09290	0.2
276.07352	0.3
276.10156	2.2
277.07593	0.8
277.10904	2.9
278.08051	3.9
278.11636	3.3
279.08771	8.0
280.06189	0.4
280.09543	2.4
281.11847	2.5
282.11307	2.6
290.08072	0.3
291.08746	0.5
292.09607	3.5
293.10425	5.7
294.07639	3.6
294.11118	25.7
295.08389	1.7
295.11639	2.6
296.12677	0.9
297.11148	0.8
306.07510	0.9
306.11020	0.4
307.08310	1.1
307.11981	0.8
308.09143	1.5
308.12741	5.7
309.09903	2.4
309.13470	18.7
310.10645	7.3
310.13788	0.9
311.11121	0.4
321.09879	0.7
322.10687	48.0
323.07483	0.4
323.10995	4.6
324.08768	0.4
324.12289	4.8
325.12881	2.7
336.12250	0.5
337.13016	100.0
338.10098	14.8
338.13483	7.7
339.10507	1.2
339.14618	2.8
340.15356	9.8
341.15805	0.9
353.12509	23.6
354.12930	2.1
368.14862	92.4
369.15237	9.2
369.19891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1488
Annotation	Oxypalmatine
Peak:m/z	Relative Intensity
54.04502	0.4
55.05492	1.1
57.03429	0.7
57.64180	0.4
67.05496	2.7
69.07063	1.1
69.18256	0.4
79.05482	1.3
81.07045	2.4
82.07381	0.6
83.04952	0.5
83.08625	1.0
88.30357	0.4
91.05476	1.0
93.07018	1.2
95.04932	0.8
95.08598	1.5
97.10096	0.5
105.07008	0.9
107.08598	0.6
109.10117	0.6
121.10122	0.8
124.84666	0.4
131.08522	0.9
145.10161	0.6
147.11591	0.5
149.09589	0.5
176.76662	0.5
191.08478	1.2
207.08107	0.8
208.08760	0.8
213.09123	1.1
219.08038	1.3
220.08830	0.9
221.09637	0.5
222.06706	0.8
223.07477	0.6
223.11072	0.7
224.08255	0.6
225.09029	0.7
229.95999	0.5
234.06783	1.0
235.07497	1.2
235.09790	0.9
236.08475	2.8
237.09090	1.6
238.09694	0.6
239.10670	1.0
247.07480	0.8
248.08241	0.7
249.09216	2.4
249.11374	0.8
250.08714	0.8
251.07039	0.5
251.10858	3.4
252.07996	0.9
254.09328	0.6
262.06174	0.7
263.07040	1.1
263.10318	0.6
264.07681	0.8
264.10217	0.9
265.08667	2.2
265.11090	1.3
266.09198	0.6
266.11685	2.6
267.10135	1.9
275.20084	1.1
276.20389	0.5
277.08640	2.3
277.11151	0.7
278.08261	1.4
278.21548	0.5
279.10245	7.6
280.09811	1.7
281.08084	1.8
281.11679	7.6
282.08679	0.6
282.11572	0.5
292.06482	0.5
292.09943	2.1
293.07910	2.8
293.10727	1.3
293.21146	0.5
294.07544	2.0
294.12320	14.7
295.09692	5.8
295.12640	0.8
296.10104	0.8
297.11124	4.5
298.12006	0.8
304.09723	4.2
305.07816	1.1
306.07932	0.7
306.11395	0.8
307.08649	1.4
308.09650	3.4
308.13168	0.5
309.07431	1.8
309.13544	1.6
310.11850	8.6
320.09146	1.7
321.09808	1.3
322.07050	1.0
322.10648	18.4
323.07590	1.2
323.12595	4.5
324.12646	3.0
325.14285	4.9
334.10553	0.5
335.11414	0.7
336.12329	1.5
337.09540	0.8
337.13013	20.4
338.10098	22.5
339.10855	1.0
340.15494	1.5
350.13773	6.0
352.11679	4.3
353.12491	12.6
353.16623	0.9
354.13126	1.2
367.24255	0.8
368.14853	100.0
369.15231	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.5
61.60310	0.4
69.03423	1.1
70.06580	0.8
70.86652	0.4
71.43788	0.7
81.03402	1.1
85.02909	1.2
91.05443	0.8
95.62070	0.5
97.02889	0.9
98.97594	0.5
101.65221	0.5
119.04966	0.7
121.06498	0.7
127.03846	0.5
135.11308	0.4
136.01140	0.5
137.05933	0.9
147.04379	0.9
167.05507	0.5
175.03946	1.0
190.08736	0.5
194.97356	1.2
207.04752	0.8
207.06517	2.5
208.09740	0.6
212.98419	1.3
216.97765	0.6
234.98976	0.8
236.84946	0.5
244.00159	0.9
272.98389	0.6
369.11520	100.0
370.03482	2.2
370.11688	5.4
370.19724	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21678	0.4
52.35234	0.5
53.03931	1.5
57.03422	0.6
59.05011	0.6
59.06580	0.5
61.02908	0.7
65.03598	0.5
65.03924	2.3
66.40646	0.5
67.05489	0.5
69.03418	5.9
71.04976	1.3
71.44321	0.7
73.02900	0.7
79.05435	0.5
81.03401	8.6
85.02895	5.2
89.03886	0.9
91.05470	28.5
92.05797	0.8
95.04958	0.7
97.02887	1.3
99.04418	0.8
103.05465	0.6
109.02859	3.1
109.41670	0.6
110.02494	0.5
110.05976	0.7
117.03359	0.5
118.04118	0.8
119.04929	35.3
120.05287	1.2
127.03876	1.2
129.03392	0.8
131.28860	0.5
132.02080	2.4
133.06432	0.7
135.04424	1.3
136.05176	0.9
145.02811	0.8
145.08574	0.7
147.04390	32.7
148.04724	1.2
149.02296	1.4
151.07524	0.5
157.03929	4.7
163.03934	1.0
164.04636	0.7
175.03885	49.1
176.04172	2.1
177.05388	1.0
179.07036	3.0
192.04156	1.5
207.06488	100.0
208.06848	3.7
225.07477	1.0
299.14139	0.5
351.10709	8.7
352.10974	0.9
369.11411	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1177
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02365	0.5
51.70618	0.4
53.03939	3.5
55.01862	0.7
57.03418	1.4
58.06578	2.2
65.03925	1.4
69.03419	10.5
70.03674	0.5
70.06582	0.8
70.08006	0.4
71.04963	1.7
73.02894	1.2
73.83362	0.4
76.85617	0.5
81.03409	24.0
85.02893	6.2
87.04440	0.6
89.03902	1.4
91.05469	30.0
95.04942	0.8
96.49323	0.5
97.02879	2.8
99.04465	2.7
101.77767	0.4
103.05450	0.7
104.02602	0.6
105.07015	0.5
107.05006	0.6
109.02868	8.1
112.57409	0.6
117.03320	0.8
118.04192	0.7
119.04928	39.1
120.05198	0.9
121.02864	0.6
127.03894	3.3
129.03319	0.8
131.97461	0.5
132.02039	1.4
133.02870	0.6
136.05182	0.5
145.02823	1.3
147.04388	31.7
148.04768	0.7
149.02318	1.7
156.47905	0.5
157.03897	3.0
164.04651	1.9
171.11594	0.8
175.03891	54.7
176.04205	2.7
177.05421	0.6
179.07004	2.5
192.04129	3.3
207.06496	100.0
208.06848	4.2
225.07555	2.0
309.09549	1.2
351.10687	24.9
352.11026	1.7
369.11685	3.1
370.16400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
59.58175	2.2
59.77195	1.9
61.02907	2.5
61.05341	2.1
66.68631	2.1
69.03427	13.4
69.62479	5.8
71.04971	6.4
72.23710	2.3
73.02905	6.2
78.54736	2.1
81.03419	14.3
81.03813	2.4
82.35190	1.9
85.02895	68.0
86.03232	4.7
87.04446	2.7
97.02875	25.8
99.04447	40.5
103.03937	69.4
109.02889	17.2
111.95857	2.2
127.03909	76.9
132.04427	6.9
133.04755	7.4
145.04951	49.4
150.05412	2.1
163.06009	28.3
178.04979	53.3
179.05325	59.4
187.06021	4.2
206.04463	68.1
206.06310	4.5
207.04807	100.0
207.06738	6.0
208.05072	4.2
218.84192	2.1
236.66913	2.1
241.02112	2.8
271.07999	7.1
289.09052	2.6
309.08420	3.3
327.09344	4.3
356.06219	2.4
363.91663	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	369.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
57.03426	11.7
59.04992	2.5
61.02912	4.5
65.03929	2.2
69.03420	42.0
74.49635	1.8
79.05489	1.8
81.03408	12.6
85.02895	56.7
87.04454	21.7
91.05478	25.2
97.02876	31.2
99.04437	3.5
105.03379	2.5
109.02883	6.2
110.07170	1.8
115.03923	29.3
119.04924	34.8
123.39503	2.2
127.03903	11.1
132.02116	3.2
133.04941	32.8
135.08046	2.4
145.02820	2.4
145.04951	13.2
145.06256	1.8
147.04384	29.7
163.06042	7.2
163.07388	2.6
164.07031	3.0
175.03883	58.9
176.04279	2.4
179.03380	4.0
179.06915	3.4
190.08557	2.9
207.06490	100.0
351.10785	10.0
369.11624	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	369.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	28.3
59.04990	5.3
59.57044	4.0
59.91605	4.6
61.99883	4.3
68.36084	5.4
69.03421	81.4
69.18770	22.6
69.19181	9.7
75.01092	5.0
81.03408	9.4
84.23206	5.0
85.02901	100.0
87.04460	41.8
91.05466	14.0
94.74944	4.5
97.02885	57.0
99.04443	6.9
106.01411	4.5
109.02888	6.5
115.03927	65.5
119.04926	18.8
125.05885	4.6
127.03892	20.9
133.04962	81.5
145.04929	23.5
147.04385	18.5
160.27985	5.1
163.05997	13.2
169.66724	4.9
170.93770	5.0
175.03865	30.7
190.08609	6.2
193.23132	5.1
207.06482	47.1
226.56468	4.8
250.24802	5.0
373.02924	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	369.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	14.1
57.07067	10.2
58.06598	8.8
62.29056	4.7
67.05505	27.2
69.07043	14.3
71.04956	5.0
71.08624	8.9
73.49925	4.4
79.05482	15.7
81.07027	24.0
83.08588	8.4
85.06555	5.0
85.10160	7.5
90.77556	4.3
91.05452	24.0
93.07039	28.4
95.04952	14.5
95.08595	40.9
97.95121	4.9
99.08075	4.8
105.07002	36.6
107.08556	24.5
109.06514	7.2
109.10136	10.2
111.08059	12.4
114.21561	5.5
117.06935	6.9
119.08573	40.1
121.10127	12.3
123.08097	5.6
123.11700	9.4
129.07008	9.0
131.08533	22.1
132.85638	4.9
133.10112	21.5
133.55472	5.2
135.08000	8.5
135.11644	14.5
137.05937	32.7
142.07733	9.3
143.08516	14.8
145.10127	27.3
147.11641	12.9
149.09642	10.6
155.08485	5.6
156.09261	7.2
157.10106	16.4
158.76714	4.7
159.08055	5.9
159.11694	18.3
161.09560	7.1
161.13332	6.8
169.10088	9.7
171.11594	10.6
173.13274	7.5
175.14780	6.9
181.10068	6.7
183.11676	16.1
185.13185	11.6
187.14786	14.7
197.13275	8.3
209.09471	6.2
209.13219	12.7
211.11192	7.6
214.27644	5.1
227.66864	5.8
247.07506	7.7
262.09912	13.2
278.09555	6.5
280.64389	5.8
293.11700	24.5
294.12527	7.6
295.22574	7.2
310.14432	9.3
323.10913	16.3
338.13623	6.6
339.10532	17.6
351.23209	10.7
353.11942	5.4
354.13235	8.5
368.42401	32.1
369.15219	100.0
369.24268	22.8
369.42841	17.6
370.16034	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17022	1.1
52.80955	1.2
53.03966	1.7
55.01864	3.4
55.05505	18.6
57.03224	1.2
57.03435	13.3
57.07070	16.8
57.81651	1.1
58.06584	1.3
65.03921	1.4
65.62761	1.3
67.05155	2.7
67.05496	40.7
69.07059	19.3
71.04984	7.4
71.08622	3.1
76.85909	1.4
79.05482	22.2
81.03421	8.4
81.07047	38.8
83.04983	9.4
83.08617	8.6
85.02892	4.7
85.06532	5.5
85.10172	32.2
91.05460	19.8
93.07031	23.4
95.04960	12.8
95.08591	19.3
96.03748	1.1
97.06504	4.0
97.10151	5.0
99.08099	1.9
104.12913	1.3
105.07014	20.2
107.04948	3.8
107.08584	17.7
109.06499	5.6
109.10139	32.3
111.08034	2.8
113.05968	2.1
113.09626	29.9
117.07009	3.2
119.08557	8.2
120.10139	1.2
121.10127	7.7
123.08084	4.7
123.11669	4.6
125.09617	4.2
129.07013	2.9
131.08557	5.2
133.10121	14.4
135.11684	2.6
137.09605	1.9
137.25113	1.4
141.12752	1.4
143.08566	1.9
143.13585	1.3
145.10135	1.7
147.08006	1.2
147.11642	8.0
149.09561	6.7
149.13252	1.3
151.11151	7.4
153.12788	1.3
155.10635	1.9
161.13148	2.0
163.11191	2.8
165.12727	39.0
166.13043	2.0
167.14246	1.3
169.12198	6.3
171.11745	1.9
175.14757	1.7
179.14323	3.6
193.15947	1.7
207.07985	1.3
207.13785	3.9
219.07944	2.2
220.08755	1.9
231.20992	1.5
233.11607	2.0
235.07469	4.1
241.19566	2.0
247.07463	6.3
247.09857	2.4
249.22090	1.3
259.20526	3.5
262.09836	10.4
263.06964	3.4
266.11966	1.2
277.21600	60.6
278.09253	9.3
278.21909	3.7
279.10162	3.0
281.11664	1.3
293.11697	26.0
294.12552	6.1
295.09589	2.0
295.22629	100.0
296.23022	5.8
310.11035	1.8
310.14542	8.3
323.10968	5.5
325.14474	2.4
337.12775	1.7
338.13654	5.8
339.10361	3.5
351.25165	1.5
354.13229	4.5
369.15231	18.3
369.26349	14.4
370.16370	1.9
370.27097	1.3
378.86038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1281
Annotation	Cathafiline
Peak:m/z	Relative Intensity
55.01867	4.7
55.05526	0.6
58.06594	6.5
68.99387	0.6
79.05471	0.7
81.07004	0.7
93.07055	1.0
95.08671	0.6
105.06441	0.6
107.08575	0.8
139.02365	0.6
152.06245	0.6
153.06972	1.2
155.08598	0.9
165.06987	1.1
166.07791	0.7
167.08539	0.7
169.10074	1.3
179.08534	1.1
181.06485	1.2
182.09669	1.5
190.02945	0.6
191.08594	1.1
192.05736	0.8
193.06454	0.8
193.08800	1.2
194.07262	3.2
194.09636	3.1
195.08017	2.3
196.07370	1.1
196.08846	1.6
197.05891	1.1
197.09636	1.7
198.06718	0.7
204.08055	0.9
205.06473	2.6
205.08873	1.4
206.07292	0.9
206.09373	0.7
207.06766	2.9
208.07440	1.6
209.06050	1.4
209.09607	1.7
210.07092	1.1
210.09106	3.1
211.07741	1.0
211.09898	3.1
220.07509	1.9
221.06116	0.9
221.08325	3.7
222.06729	3.1
222.09100	8.9
223.07532	1.9
223.09872	6.2
224.08272	5.6
224.10558	1.0
225.09285	4.6
226.06187	3.9
226.08560	1.5
226.12154	0.9
228.80949	0.6
233.05968	3.3
233.08083	0.7
234.06624	1.2
234.09023	0.8
235.07439	1.3
236.06737	1.2
236.08614	1.1
236.10597	1.4
237.05452	1.0
237.09236	7.7
238.06395	0.8
238.08633	8.2
238.83081	0.6
239.06926	2.5
239.09433	11.3
240.07889	0.8
240.10136	2.6
249.07832	2.0
250.06134	2.7
250.08597	6.1
251.06915	1.7
251.09439	5.4
252.06233	3.5
252.10107	2.1
253.08441	2.1
253.10939	1.2
254.05775	1.0
254.09341	0.9
254.11743	11.3
255.06468	1.3
257.11768	2.9
264.06543	1.7
264.10126	1.2
265.08627	10.9
266.08063	6.4
267.06290	1.8
267.09045	10.2
268.09616	3.4
269.08063	21.1
270.08475	1.6
272.55579	0.6
277.07666	0.9
278.05472	1.0
278.08105	2.2
279.08701	7.8
280.06470	1.2
280.09674	2.0
281.07974	2.5
281.10693	1.1
282.08701	4.0
282.11301	27.9
283.11627	2.0
284.09201	3.4
285.11099	4.1
292.06030	6.0
292.09195	1.0
293.08112	7.1
293.11163	0.9
294.07520	1.3
294.12463	8.4
295.08286	10.6
296.08969	1.9
297.11148	7.5
298.10681	1.4
307.08310	12.6
308.08871	1.2
310.10681	100.0
311.07632	0.9
311.10825	5.1
312.08536	5.2
312.12296	4.2
313.10657	2.3
314.13849	2.2
323.07733	1.6
324.11795	0.7
325.10394	6.0
325.14316	4.5
326.10428	1.4
326.13907	1.2
327.11398	2.6
328.11664	1.1
338.10181	17.4
339.10495	1.5
340.08047	6.4
342.13324	31.8
343.13641	1.8
355.10452	12.4
356.11182	3.6
370.12393	10.5
370.16217	2.3
370.19684	6.6
370.23834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.61958	0.2
57.03418	0.3
58.06580	0.5
59.04971	0.2
61.02908	0.5
67.05487	0.3
69.03415	1.4
69.23792	0.7
69.24199	0.5
70.06567	0.5
71.04973	0.3
76.82116	0.2
77.68315	0.2
79.05472	0.3
81.03409	0.9
83.04955	0.3
85.02901	3.9
85.83005	0.2
91.05467	6.3
92.05785	0.3
95.04951	2.3
97.02869	0.9
103.03922	0.3
105.07024	0.4
109.02850	0.6
110.06036	0.7
119.04923	6.7
120.05295	0.4
127.03901	0.9
130.31857	0.2
136.05157	0.9
137.05942	1.0
138.05493	0.5
139.03868	0.2
145.04893	0.3
147.04367	0.7
149.05940	1.0
151.07516	24.0
152.07880	0.7
163.03816	0.4
164.08238	0.3
165.05429	0.4
167.07103	0.3
175.03886	0.3
176.04265	1.0
177.05389	0.4
179.03325	0.4
180.10143	0.6
190.08569	1.7
192.10159	0.4
193.07298	1.4
207.06447	0.8
208.09656	100.0
209.09995	5.1
232.09709	0.4
250.10745	1.7
370.15109	1.8
370.23709	3.9
371.16595	0.3
371.24115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90840	1.1
56.44220	1.2
58.38080	0.9
59.83628	1.0
68.82323	0.9
72.04508	1.8
82.01027	1.2
90.12462	1.0
91.39022	1.0
119.81854	1.1
179.08559	1.5
189.06981	1.4
197.24106	1.1
202.07706	2.3
207.08006	5.9
208.08760	1.9
218.07292	2.7
219.08023	7.7
220.05321	1.4
220.08904	2.6
221.09593	2.4
222.06720	1.5
223.11156	1.5
233.09538	3.3
234.06702	1.3
235.07524	12.5
236.08240	5.9
237.09160	2.7
239.10559	1.3
246.06657	1.5
247.07553	22.1
247.09953	3.8
248.08134	3.6
249.09090	5.0
250.09879	3.7
251.10765	7.0
251.13046	0.9
254.09233	1.5
261.09128	2.2
262.09863	35.6
263.07013	15.9
263.10294	5.7
264.07571	1.4
264.11102	1.2
266.09427	1.9
267.10083	2.9
268.10916	1.9
277.08545	2.0
278.09290	27.9
279.10046	15.0
279.12732	1.5
280.10727	2.1
281.11783	5.9
293.11679	100.0
294.12363	23.1
295.09561	11.4
295.12802	5.8
295.22809	1.1
310.11807	4.5
310.14642	23.7
311.14780	2.2
320.12686	2.9
325.14352	5.2
338.13867	3.1
368.55640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1645
Annotation	7-Hydroxy-dehydroglaucine
Peak:m/z	Relative Intensity
58.06590	0.7
67.17199	0.5
71.96937	0.4
79.05480	0.7
79.60486	0.6
91.05447	0.8
95.94386	0.5
104.46748	0.5
105.06997	0.7
107.04946	0.8
107.08614	0.7
133.10138	1.9
137.05949	2.6
137.09589	1.0
156.05643	0.7
167.07062	1.7
167.08540	0.9
175.07590	0.6
181.06378	0.6
182.07283	1.0
187.07503	1.0
191.14320	1.0
195.07932	1.2
198.06825	0.9
207.06418	1.1
208.06831	1.9
209.06035	0.6
209.15405	0.8
211.07567	1.2
213.09129	0.8
217.08618	1.2
223.07600	1.7
223.45717	0.6
225.05603	0.6
225.09047	1.8
233.09518	0.9
235.07352	0.7
237.05325	0.7
239.07010	3.6
240.07654	1.3
241.08485	2.1
249.09116	0.9
250.06377	0.6
251.07091	1.7
252.07684	0.9
253.08629	3.9
254.05692	1.8
255.10173	1.6
262.09723	0.6
266.09344	1.7
266.11926	0.7
267.06528	1.4
267.10022	0.8
268.07172	3.4
269.08084	5.5
279.06537	0.7
280.10013	0.9
280.13440	0.6
281.07999	13.3
281.10693	1.2
282.08490	1.6
282.11380	1.7
283.09601	17.9
284.10141	3.7
293.10764	0.5
296.09781	1.0
296.12732	2.6
297.07510	8.8
298.07913	0.6
298.14462	1.0
299.12704	5.3
308.12784	1.6
309.10791	0.7
310.10721	4.5
310.14212	1.0
311.09073	4.8
311.12427	2.1
312.09595	6.8
312.13019	0.8
313.10620	1.3
313.14212	0.7
321.11111	0.7
325.10562	1.7
326.10202	0.6
326.13876	11.4
327.12210	48.7
328.12631	4.0
336.12415	0.6
339.12360	1.2
340.12061	1.0
342.16849	0.8
353.13843	1.2
354.13342	7.5
355.14029	1.6
370.16461	100.0
370.24057	2.4
371.16974	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	370.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.5
58.30026	5.2
69.03417	13.9
69.30727	32.0
78.32214	5.8
78.59707	5.2
81.03422	15.6
85.02895	66.7
97.02866	23.8
99.04453	42.2
103.03926	80.8
114.12112	6.1
127.03898	100.0
145.04947	56.6
163.06006	57.1
208.09641	14.0
293.11819	10.1
307.10132	10.3
335.05038	7.5
343.36404	6.4
370.14862	8.8
371.13248	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	370.2009
Annotation	N-Methylsecoglaucine
Peak:m/z	Relative Intensity
56.05022	0.8
58.06593	76.4
58.28664	0.4
59.06947	0.9
67.05501	1.8
69.03439	0.4
69.34367	2.4
72.08154	0.8
81.03415	0.4
83.66130	0.4
85.06515	1.0
88.50354	0.5
95.04951	0.9
97.02848	2.3
97.06522	0.6
98.03236	1.0
105.03375	1.2
125.05980	1.2
147.11684	0.7
152.07088	2.8
156.87106	0.5
179.08592	0.7
180.06525	23.0
181.04948	0.6
181.06705	0.7
191.08546	2.8
191.14320	1.9
206.04443	1.9
207.07956	2.1
208.05983	1.2
208.08856	2.3
209.09599	0.9
212.09134	3.0
218.07086	0.6
219.07976	3.2
220.08789	6.1
221.09550	2.0
223.07652	1.0
223.11160	5.3
224.08228	1.1
233.09540	3.1
234.07291	1.4
235.07469	4.2
236.08267	13.2
237.09001	2.3
239.06943	0.5
239.10638	3.0
247.07484	1.5
248.08661	1.8
249.09088	3.5
250.09821	2.7
251.10655	17.8
252.07776	2.2
252.10999	1.7
253.08376	1.3
256.09665	1.0
260.09070	1.5
261.09155	1.0
262.09821	1.1
263.06961	1.9
263.10571	3.1
264.07788	2.4
264.10950	0.6
265.08502	1.7
266.09390	1.0
267.10049	6.2
268.10583	0.8
269.08069	0.8
274.10724	1.2
277.08521	2.8
278.09253	1.9
279.10110	36.0
280.07388	1.1
280.10431	3.5
281.08057	4.9
281.11142	0.9
283.09521	1.6
284.09512	1.1
289.10815	0.6
293.11560	2.2
294.12451	100.0
295.09601	35.5
295.12836	9.6
296.10135	3.1
297.07556	1.2
302.10168	6.3
309.11108	0.5
310.11935	45.5
311.12323	4.7
312.09665	0.7
320.11240	4.1
324.12231	0.8
325.14294	55.4
326.14655	4.5
327.12213	9.2
338.12454	3.1
339.14893	0.9
340.11023	1.2
370.16119	12.1
370.20172	53.1
371.15369	2.0
371.20392	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	370.9596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63109	0.7
56.96553	6.7
61.02904	0.9
69.03416	2.0
70.06569	1.9
70.36679	1.3
73.60152	0.7
85.02891	4.9
86.09681	2.0
87.04424	0.8
91.05803	1.1
97.02876	2.2
98.97572	13.2
110.97552	1.9
112.92218	1.1
116.98605	7.0
121.06476	1.1
123.04398	1.1
127.03865	1.2
127.10589	0.7
128.98578	1.8
129.05455	0.7
130.92297	1.3
130.93280	26.0
131.00087	0.7
134.72800	0.7
134.99622	2.8
137.05997	1.3
146.99664	1.0
148.94354	5.6
150.09117	3.1
150.37482	0.8
154.93353	2.9
158.99648	1.6
164.07021	1.1
172.94324	36.6
175.07512	2.6
176.93852	1.0
177.00768	1.3
177.07784	1.0
178.08620	6.0
180.94847	1.2
182.20174	0.8
186.99164	0.9
190.08585	1.6
190.95367	39.3
192.10181	2.9
193.08612	1.6
196.94359	2.9
198.95859	5.4
208.09686	3.3
208.96422	13.1
210.11229	9.9
214.95332	8.5
214.98962	1.6
216.96941	18.4
216.98868	1.4
219.01778	2.0
220.94278	1.8
222.95906	2.1
224.93857	2.0
230.98529	1.0
232.96404	19.8
234.97966	11.1
234.99974	0.9
237.02815	2.7
238.95361	15.4
240.96931	8.0
242.94864	4.7
242.98691	0.8
244.96414	0.8
244.99713	1.0
248.96185	1.1
249.06253	0.9
250.97504	9.0
256.96423	79.0
257.96811	2.4
258.97989	13.7
260.96008	3.7
262.97626	0.9
266.94806	3.7
272.95862	2.7
272.98764	0.9
274.97479	60.6
275.97861	1.3
276.99072	8.4
283.02872	1.0
284.95880	18.2
290.96826	1.3
292.98520	4.0
293.11734	1.2
302.96945	18.4
303.15128	0.8
304.94873	3.7
307.00174	1.7
310.93698	5.3
320.98108	3.1
325.01218	1.0
328.04849	0.9
328.94873	22.0
328.98743	1.4
329.05484	1.1
346.06158	0.9
346.95935	100.0
347.96243	4.1
353.10834	0.8
364.96994	14.2
369.97330	1.2
370.14810	1.4
371.06760	1.4
371.13895	0.8
372.16666	4.3
388.96777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83373	0.5
55.01860	0.5
55.05493	0.7
58.06592	8.9
59.06901	1.4
60.04510	1.2
67.05476	0.6
71.06325	0.5
71.44554	0.7
72.08042	0.5
79.05484	0.9
81.07038	0.9
91.05460	1.1
93.07018	0.5
97.06534	0.9
103.05431	0.6
105.06967	0.7
107.04916	1.3
115.05394	0.6
119.04998	0.6
131.04922	0.7
137.05975	1.2
147.04465	0.6
147.08002	0.5
165.06981	1.8
165.59659	0.5
167.06993	1.8
177.05473	0.6
178.07727	2.7
179.08525	1.7
181.06432	1.9
186.57428	0.6
187.07559	0.7
189.06927	1.2
190.07741	1.7
191.08546	4.8
192.09207	0.7
194.07237	3.0
195.08035	2.6
196.08731	1.0
197.09558	0.7
201.09140	0.5
202.07848	1.4
203.08447	2.2
205.06479	2.1
205.10127	0.8
206.07260	2.6
207.08031	6.2
208.08778	4.0
209.06078	0.8
209.09711	3.0
210.06757	1.0
211.07523	1.8
215.08592	1.3
217.06480	0.7
217.08545	0.8
218.07275	2.2
219.08076	5.7
220.05379	0.6
220.08800	6.7
221.06041	3.4
221.09566	3.7
222.06726	4.3
222.10265	0.9
223.07509	3.9
223.11105	3.9
224.08212	4.8
225.09009	2.4
226.09795	0.8
231.08043	0.9
232.08878	1.1
233.05977	1.1
233.09547	4.2
234.06691	3.9
234.10287	1.8
235.07523	10.3
236.08278	16.7
237.05363	2.2
237.09039	10.6
238.09821	4.9
239.06873	3.8
239.10583	4.6
240.07648	1.5
241.12140	0.7
247.07535	3.6
248.08273	2.7
249.05385	1.5
249.09071	12.0
250.06297	2.6
250.09779	5.4
251.06979	4.5
251.10643	20.3
252.07767	8.7
252.10992	1.8
253.08484	3.1
254.09323	18.8
255.09941	0.7
260.08258	1.1
261.09113	2.6
262.06357	0.8
262.09790	1.3
263.06973	3.7
263.10556	3.5
264.07803	5.2
264.10593	1.0
265.05075	1.5
265.08551	18.5
265.11118	0.8
266.09305	11.8
267.06961	0.7
267.10126	12.1
268.10721	1.5
269.08698	0.8
269.11688	25.6
271.09576	0.7
277.08578	5.6
278.09348	3.8
279.10107	40.5
280.07260	7.6
280.10580	4.1
281.07980	5.6
281.11639	5.3
281.14273	0.8
282.08746	2.3
282.12378	2.1
283.09579	1.0
283.91318	0.6
290.11160	0.9
292.07373	0.8
292.10785	1.1
293.07950	2.2
293.11667	7.4
294.12457	100.0
295.09601	42.3
295.12814	9.7
296.10242	10.1
296.13266	0.5
297.11179	34.7
298.11819	1.4
308.12808	2.2
309.11215	2.0
310.11938	53.7
311.09195	1.3
311.12640	25.4
312.13504	82.9
313.10556	1.6
313.14270	3.5
321.11169	4.1
323.12030	0.8
323.15161	2.3
325.14294	67.8
326.11383	1.3
326.14682	6.9
327.11890	0.7
328.12537	2.1
339.12213	49.8
340.12622	6.0
341.13824	5.0
353.13849	1.0
354.16928	5.2
355.17798	2.5
371.14828	18.4
371.20352	8.3
372.18140	12.3
372.22266	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01847	0.6
58.06597	4.2
59.06880	0.6
69.37805	1.9
69.38211	0.8
71.68519	0.5
81.07031	0.4
91.05471	0.9
92.89741	0.5
103.05433	0.9
107.04884	1.9
115.05375	0.6
120.28551	0.5
129.78647	0.5
131.04861	1.6
137.05911	0.6
145.06384	1.6
147.04396	0.8
150.58842	0.5
159.07924	0.6
165.06943	2.9
166.07703	1.3
167.08475	1.1
177.06888	0.8
178.07750	2.7
179.08435	1.6
181.06503	3.2
183.08028	0.7
189.06911	1.2
190.07706	1.1
191.08481	1.2
193.06412	1.3
194.07280	3.9
195.07973	2.6
202.07727	0.7
203.05215	1.4
203.08441	1.1
205.06435	2.5
206.07240	3.0
207.08072	3.8
208.08725	1.2
209.05894	1.9
209.09528	1.9
210.06651	0.7
211.07597	1.2
215.08572	1.2
217.06522	0.5
218.07277	2.9
219.08037	2.5
220.08667	1.2
221.05963	3.7
221.09450	1.2
222.06715	5.4
222.10190	0.8
223.07480	3.3
224.08261	3.4
225.08990	0.6
231.08008	1.5
232.08807	2.2
233.05803	1.1
233.09587	1.9
234.06711	5.3
234.10263	1.1
235.07474	7.3
236.08275	6.7
237.05481	3.3
237.09033	4.4
238.06018	1.2
238.09637	0.9
239.06956	1.3
239.10442	0.6
240.07663	1.3
246.06514	0.6
247.07460	1.6
248.04579	0.5
248.08180	1.7
249.05423	1.4
249.09064	17.5
249.11609	1.1
250.06253	4.6
250.09738	4.1
251.07008	4.1
251.10568	1.4
252.07773	12.2
252.10536	0.5
253.08498	3.6
260.08273	1.0
261.09018	1.7
262.09711	0.7
262.12506	0.5
263.06946	3.3
263.10400	0.8
264.07797	4.6
265.04987	2.8
265.08527	21.4
266.09308	12.6
267.10013	2.8
268.07458	0.6
268.10565	1.2
269.07867	0.6
275.10474	1.1
277.08569	5.3
278.09302	3.1
279.06436	2.1
279.09952	1.6
280.07227	12.9
280.10474	3.1
281.08066	6.3
281.11139	1.1
282.08453	0.8
283.13391	0.7
285.11292	0.5
291.06369	0.5
292.07483	0.6
292.10681	0.9
293.08023	2.8
293.11633	11.5
294.08719	2.3
294.12292	1.8
295.09543	5.5
295.12778	5.9
296.07059	1.0
296.10352	12.0
297.10907	1.5
303.10056	0.6
306.08594	0.5
307.09500	0.7
308.10327	0.6
309.11191	3.1
310.11789	2.0
311.12619	12.5
312.09845	1.0
312.13068	0.8
313.10587	1.0
321.11188	7.4
322.11945	0.6
324.09848	2.2
325.10635	1.2
325.14233	0.8
326.14655	3.4
338.11844	0.5
339.12216	100.0
340.12701	12.2
341.13605	0.7
353.13525	0.6
356.12775	0.7
359.74011	0.5
371.14859	30.0
371.20224	3.8
372.15158	2.0
372.21606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35402	0.9
55.01862	3.7
55.05505	4.0
57.03424	2.0
57.07060	1.5
58.06592	17.9
59.06927	2.9
64.24276	1.2
67.05504	2.7
68.75240	1.0
69.03419	4.6
69.07059	17.5
71.04977	1.8
74.06068	3.5
74.31130	1.1
79.05479	3.5
81.03408	2.2
81.07053	5.8
83.04972	2.1
85.02888	5.5
85.06525	1.6
91.05446	5.2
93.07030	16.9
95.04952	5.3
95.08582	6.2
97.02887	3.0
97.06503	3.6
97.77235	0.9
99.04469	1.4
100.11238	1.4
101.05973	1.2
105.07012	6.4
107.04941	3.0
107.08589	12.0
109.02901	1.3
109.06507	1.8
109.10145	3.2
111.04359	1.6
111.08078	1.7
115.05437	1.3
117.07020	1.7
119.08566	5.1
121.06490	18.2
121.10134	9.5
123.08057	3.0
123.11687	1.3
127.03905	1.2
129.05566	1.4
129.06981	1.6
131.08562	4.2
133.10117	10.2
135.08025	5.8
135.11685	2.9
137.05948	5.8
137.68851	1.2
139.11099	1.5
145.10092	2.6
147.06526	1.7
147.10550	2.2
147.11662	29.6
148.12056	1.7
149.09589	4.2
149.13220	7.3
156.05656	1.1
158.10899	1.5
161.09549	5.1
163.11182	1.4
167.07027	3.6
173.13274	8.5
175.07523	1.3
176.12025	1.3
177.05487	1.4
187.07526	1.3
189.09128	1.1
191.14282	100.0
192.14668	5.7
207.08124	1.5
209.15329	9.7
210.06728	1.2
217.08539	2.3
219.08031	1.9
220.08673	1.2
221.05956	1.6
223.07477	1.6
224.07947	1.5
225.09166	2.4
233.09521	1.2
234.06842	2.0
235.07527	2.2
236.08130	1.4
237.05388	1.0
237.08655	2.5
238.09520	1.5
239.06947	2.9
240.07742	1.3
249.09076	3.9
250.09735	1.6
251.10641	2.3
252.07692	1.8
252.10966	4.2
253.08397	2.2
254.08890	1.9
255.10168	2.7
261.09122	2.7
263.07031	2.2
264.07587	1.5
265.08545	3.0
266.09204	1.7
267.06348	1.9
267.09860	1.9
269.11606	1.2
270.12234	1.2
270.72284	1.1
277.08545	2.9
278.09125	3.6
279.10141	2.6
280.07489	1.9
280.10498	7.0
281.07932	3.6
281.11008	1.3
282.08337	7.2
282.11279	1.9
283.09503	2.2
284.09875	3.3
285.11047	1.9
289.08408	1.2
291.10187	2.0
293.08041	2.0
293.11374	2.5
294.12326	4.8
294.18390	1.6
295.09509	4.4
295.12787	16.9
296.10028	5.7
296.12967	2.0
297.10977	1.5
299.12741	4.5
308.09979	2.7
309.11069	3.3
310.11386	3.4
311.12357	11.1
312.19498	3.9
313.14160	1.1
323.12732	4.7
325.13162	1.6
326.14630	11.0
327.12259	4.8
328.12546	16.1
329.12854	1.5
339.12381	7.0
340.15256	2.4
341.13898	2.2
353.13828	2.6
354.16986	2.1
356.14719	5.6
357.12033	1.6
371.16287	26.8
371.20615	10.1
372.17831	35.3
372.21722	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	7.9
55.05498	16.2
55.10401	3.2
57.03433	5.4
57.07062	9.5
58.06588	8.7
59.04998	4.3
61.02904	5.2
67.05483	13.2
67.64674	3.0
69.03439	21.6
69.07059	20.7
69.30428	16.2
71.04987	7.5
73.02902	4.6
76.15469	3.3
79.05473	11.9
81.03405	8.6
81.07057	28.0
83.04970	18.5
83.08601	23.8
85.02893	26.4
85.06538	8.8
91.05445	10.8
93.07030	31.8
93.57950	3.4
95.04958	100.0
95.08589	12.4
96.58162	3.3
97.02869	12.7
97.06515	7.7
98.22755	6.0
99.04447	18.9
100.07588	3.6
100.11267	5.7
103.03926	9.7
103.05430	3.5
105.07023	11.4
107.08574	30.3
109.06507	10.6
109.10133	13.8
111.04426	8.9
111.08082	3.7
113.05991	6.8
119.08568	13.1
121.10134	82.1
123.11687	7.5
125.06077	3.9
127.03896	9.7
131.08546	4.4
133.10139	11.6
135.08047	17.6
135.11693	8.4
136.03937	9.6
139.07489	3.4
139.11227	4.5
145.04951	3.5
145.10017	4.6
147.11673	4.6
149.13268	16.4
149.92712	3.2
151.11182	4.2
153.09070	27.4
161.09648	7.2
163.14810	26.3
166.04887	5.5
167.14307	23.0
173.13252	7.2
178.04932	24.6
181.12146	5.0
182.15280	5.8
189.12830	4.2
191.14290	19.0
209.15329	51.4
210.14931	11.4
282.47000	3.5
312.16122	3.5
353.19510	7.8
354.20401	12.7
371.16678	10.6
371.20532	11.1
372.21588	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
58.06577	2.7
67.05486	2.1
69.03419	4.9
69.07057	1.9
70.60797	1.4
74.20033	0.8
77.61432	0.9
79.05473	3.9
81.07047	5.1
83.08614	1.3
84.43256	1.0
85.02887	3.1
91.05457	5.2
93.07024	3.8
95.04944	0.9
95.08589	1.6
105.07016	5.7
107.04952	1.5
107.08576	18.5
109.06514	5.5
109.10130	6.0
115.05437	1.5
117.06995	1.3
119.08572	3.4
121.06454	0.8
121.10128	11.1
122.07282	4.0
131.08517	2.4
133.10112	100.0
134.10435	4.1
135.08046	10.6
137.09599	55.4
138.09903	1.6
147.11642	2.0
149.09592	9.0
149.13229	13.6
163.14748	2.0
171.28128	1.0
173.13203	4.5
179.91879	0.9
191.14284	32.4
209.15343	5.1
219.02324	0.8
234.06721	1.9
249.09076	4.1
265.08539	6.8
277.08514	6.2
292.10898	10.2
293.08032	10.5
308.10376	9.8
312.19482	1.2
323.12720	33.5
339.12622	1.1
354.16800	2.9
372.17871	1.7
372.21649	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	2.8
58.66617	0.9
67.05511	1.3
69.03426	1.2
79.05469	1.1
81.07053	1.9
83.08618	1.3
85.02889	1.4
91.05490	1.5
107.08578	4.6
109.06499	1.7
121.10143	3.4
133.10110	23.5
135.08014	2.8
137.05966	1.3
137.09608	12.7
144.08038	1.1
147.11671	1.8
149.09630	2.9
149.13232	4.0
151.11124	1.6
153.07016	1.1
165.12708	1.0
167.06947	1.0
168.53429	1.0
173.13226	1.5
191.14281	11.1
193.10158	1.1
209.15349	4.3
249.09045	1.5
265.08395	2.7
266.04910	1.1
266.18970	3.3
269.07840	1.4
277.08597	1.4
292.10870	1.9
293.08075	3.0
293.11526	1.7
294.18411	3.3
295.09543	1.8
308.10291	3.2
312.19638	6.5
323.12759	10.0
327.08551	1.2
328.12521	2.0
339.12476	5.0
340.12671	1.1
353.13870	1.5
354.20761	2.3
357.12158	1.1
371.14923	2.9
372.21677	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.72955	2.0
53.03938	3.3
55.01867	4.2
55.05494	9.8
57.03425	8.3
57.07058	7.0
57.37070	2.4
58.06585	9.1
59.04992	3.6
61.02930	4.1
66.86523	2.7
67.05486	9.2
68.23132	2.2
69.03419	23.7
69.07061	15.0
71.04980	9.6
71.16735	2.4
79.05495	10.7
81.03403	10.9
81.07046	16.8
83.04971	11.6
83.08610	13.0
85.02895	35.2
85.06540	11.1
86.09685	2.7
87.04415	2.4
91.05459	7.5
91.70270	2.0
93.07037	34.9
95.04958	76.0
95.08601	8.3
97.02869	11.3
97.06509	9.3
99.04450	23.2
105.07032	16.8
107.04959	2.6
107.08577	38.5
108.08859	3.0
109.02858	6.5
109.06503	8.9
109.10146	12.0
111.04415	4.2
111.08115	2.6
113.06039	2.6
115.07558	27.6
117.07008	4.1
119.05971	2.6
119.08574	12.7
121.06528	4.2
121.10129	100.0
123.08045	5.0
123.11675	4.9
127.03895	12.7
129.05530	3.7
131.08545	5.6
133.10117	12.7
135.08040	21.6
135.11673	6.7
137.05917	3.8
139.11179	3.6
145.04942	5.4
145.06381	2.5
145.10118	5.7
147.11671	3.8
149.09636	3.0
149.13252	8.4
151.11139	5.8
153.09094	21.2
161.13235	3.4
163.14821	22.2
167.06999	3.6
167.14288	11.6
173.13196	10.8
181.12199	5.5
191.14290	18.4
209.15341	54.7
210.15004	6.8
215.14323	2.9
248.88252	2.4
263.16397	2.6
265.08551	2.5
295.05682	2.8
325.10638	3.0
335.18503	2.4
338.41098	2.2
353.19440	2.5
354.20685	12.4
371.16559	12.8
371.20694	6.4
372.21713	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	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03939	8.1
55.01859	10.3
55.05501	40.8
56.05033	4.0
57.03428	13.8
57.07071	25.8
58.06594	15.2
59.04998	6.6
61.02919	6.4
65.03934	3.7
66.86908	2.9
67.05493	17.9
69.03417	72.3
69.07057	45.5
69.51488	9.6
69.51882	7.9
71.04983	12.7
73.02907	5.7
73.39130	3.8
79.05484	22.9
81.03403	23.2
81.07048	94.8
81.07497	6.8
83.04971	65.0
83.08608	92.4
85.02893	64.0
85.06539	10.8
87.04459	8.9
89.06018	71.9
91.05472	16.2
93.07022	39.5
95.04959	49.7
95.08595	26.7
97.02877	34.0
97.06507	20.8
98.22641	5.3
99.04424	17.4
103.03960	8.8
105.07018	15.4
107.04967	4.4
107.08580	60.8
109.02855	10.6
109.06506	18.8
109.10148	46.3
111.08048	29.8
113.09571	6.2
119.08578	11.0
121.06518	7.1
121.10126	49.8
123.08060	13.0
123.11694	23.7
125.06007	8.8
125.09612	16.2
125.13265	14.7
127.03864	25.1
127.07563	9.2
129.05411	7.0
131.08607	6.2
133.08583	21.4
133.10104	17.3
135.08028	14.5
135.11687	7.1
137.05945	8.7
137.09579	8.5
137.13292	6.5
139.07526	7.0
139.11151	17.9
143.07071	4.2
145.04965	10.2
145.10147	6.7
147.08034	5.5
147.11644	6.2
149.09625	15.9
149.13237	69.9
151.07564	6.5
151.11165	22.1
153.09105	19.6
154.30835	3.4
155.08586	3.8
157.10257	5.8
159.11671	4.0
161.09677	5.1
161.13341	3.6
163.11191	7.7
163.14833	21.8
167.07039	6.7
167.14297	82.9
169.12251	10.5
169.99904	4.1
171.10112	6.6
173.13278	12.8
177.11307	5.8
181.12224	30.4
185.08195	4.3
185.13278	3.8
189.12743	4.3
191.14259	36.3
207.13754	4.1
209.15343	100.0
210.15642	7.1
221.15392	4.6
227.16481	6.0
233.15259	8.1
263.16367	5.0
293.17657	4.3
335.18658	7.8
340.22647	72.5
353.19617	12.3
371.16757	7.8
371.20633	25.2
372.14383	12.8
372.21268	6.2
372.25305	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
55.01847	0.4
57.26919	0.1
58.06578	0.6
65.03919	0.4
67.51405	0.1
68.99767	0.8
71.44661	0.2
72.08180	0.2
77.03938	0.2
78.04704	0.2
78.84048	0.1
79.05473	0.6
79.62420	0.1
82.02914	0.7
83.01319	0.6
84.43970	0.1
89.03900	2.1
91.04200	0.3
91.05450	1.0
92.02631	0.2
92.04998	0.3
95.04938	0.5
102.03432	0.4
103.04199	0.7
103.05441	0.4
104.04977	1.1
105.03369	0.4
105.05746	0.5
106.06536	0.6
107.04949	1.7
110.64554	0.1
111.04461	0.2
114.03387	1.5
115.04185	0.3
115.05430	0.2
116.04961	1.5
117.03371	0.9
117.05746	0.5
118.04147	0.4
119.03671	0.7
119.04912	0.3
120.04455	3.3
121.02878	0.1
121.06499	0.5
127.04137	0.9
128.04950	0.7
129.03365	0.8
129.04468	4.3
129.05450	0.3
130.02878	0.7
130.03995	3.5
130.05023	0.3
131.04922	0.6
131.05934	0.3
132.04437	0.9
133.02844	0.4
133.05211	4.3
134.03722	0.3
134.05992	10.6
135.06339	0.3
140.04851	0.2
141.04465	1.3
142.05292	0.2
143.03679	1.3
143.04951	0.2
143.06017	4.7
144.04420	1.4
145.02827	2.8
145.05202	4.1
146.02370	0.9
146.06058	0.8
147.04375	0.4
147.05428	0.2
154.05196	0.3
155.03609	0.6
155.06021	2.0
156.04416	19.3
157.02823	0.5
157.04842	0.6
158.05984	0.2
159.05498	1.2
160.03917	0.6
160.08717	0.2
161.07100	0.5
162.03125	0.5
162.05463	0.8
169.03938	3.4
170.02428	0.2
170.04713	1.5
170.05975	0.3
171.03239	0.9
171.05502	4.3
171.06595	0.2
172.03905	22.8
173.04591	1.5
173.13260	0.3
175.03850	0.4
177.05460	1.5
181.03978	0.3
182.04762	1.5
182.07121	1.6
183.05508	16.2
184.03915	0.9
184.05898	0.5
185.02228	0.2
185.07095	0.3
186.05452	0.6
187.05003	0.8
190.04965	0.6
197.03505	0.4
197.07115	0.6
198.07904	0.3
199.04987	5.2
200.03394	6.6
201.04179	6.4
201.06560	2.8
202.04762	0.5
202.06732	0.2
204.08037	0.3
207.05336	0.2
209.03134	0.2
210.02196	0.2
210.04228	4.4
210.06581	2.3
211.04971	2.0
211.07007	0.2
212.03433	0.3
216.06517	5.5
217.06952	0.3
218.08353	0.2
219.06836	0.2
225.06493	0.2
227.04567	0.4
227.06944	0.1
228.07098	0.2
229.07718	0.4
231.09149	0.4
232.07452	0.2
233.07072	0.5
236.06944	0.3
242.03200	3.3
243.03371	0.2
244.08774	0.9
245.07054	0.9
245.09357	0.4
246.07799	0.5
247.08440	0.4
256.08487	0.3
257.07034	0.4
258.07855	0.6
259.08606	0.5
260.07043	0.3
261.07761	0.2
261.10327	0.3
262.08572	0.5
271.08517	0.6
272.08145	6.4
273.06473	2.9
273.08954	3.9
274.07370	0.9
275.08011	1.2
283.07385	0.2
284.08145	0.6
285.06436	0.3
286.07275	0.4
287.08102	3.1
288.06055	0.8
288.11316	0.8
289.09589	0.8
294.12506	0.3
298.09778	0.2
299.08136	0.2
300.07626	5.8
301.08353	9.6
302.08789	0.5
303.07565	2.4
304.07986	0.2
312.07516	1.1
313.05780	0.3
314.09122	0.4
315.06906	0.3
315.10486	1.0
316.10815	7.1
316.14569	0.3
317.08762	1.2
325.14453	0.2
326.09119	0.2
328.07117	15.9
328.10013	0.7
329.07874	53.9
330.08224	3.5
340.06952	0.4
343.08868	0.2
344.10251	43.0
345.10626	3.0
372.09720	100.0
373.10004	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	372.1437
Annotation	16-Oxodelavaine
Peak:m/z	Relative Intensity
51.09740	0.6
58.06588	1.3
69.27675	1.1
69.28082	2.6
89.27203	0.6
137.06013	0.9
138.43291	0.7
151.07512	1.2
165.06960	1.2
178.07724	0.7
183.08064	1.3
191.08557	1.1
194.07228	0.8
195.08034	3.0
196.08899	1.5
197.05974	1.5
207.07922	1.5
209.09607	3.1
210.06802	1.5
211.07509	4.8
212.08307	1.5
213.09209	0.8
219.07996	2.2
220.08797	2.0
223.07458	2.6
223.11107	1.4
224.08267	2.6
225.09045	3.8
226.09830	1.0
227.10645	3.2
228.07742	1.1
228.11252	0.8
235.07625	0.9
236.08319	4.9
237.09071	2.2
238.06209	1.1
238.10039	1.2
239.07050	2.2
239.10587	6.5
240.07806	3.2
240.10966	1.2
241.08472	1.9
243.10104	1.1
249.09187	1.2
250.08348	1.3
251.10716	5.7
252.07756	1.4
252.10190	1.7
253.08698	4.7
253.10727	1.1
254.09448	6.7
255.10136	14.1
256.10519	1.4
263.06927	0.7
265.08505	2.7
266.09329	0.9
267.10025	3.8
268.07059	1.3
268.10501	4.9
269.08047	1.8
269.11664	10.1
270.12488	23.9
271.09564	3.2
271.12491	1.2
273.11136	1.1
278.08450	1.0
279.10107	10.5
280.09668	4.8
281.07904	2.1
281.11664	2.8
282.08365	1.2
282.11313	5.0
283.09552	3.6
284.10361	3.7
285.07471	1.2
286.12122	5.2
287.12247	0.8
294.12469	28.8
295.09552	9.6
295.12521	2.4
296.09161	6.3
297.11215	9.9
298.11615	4.5
299.12613	1.9
300.09659	1.1
301.14365	3.0
308.09195	1.2
310.11926	17.3
311.12100	10.0
312.13525	21.9
313.09552	0.8
313.13953	2.5
314.10123	3.0
324.08667	1.2
325.14285	18.3
326.14108	2.9
327.12140	2.1
328.11636	3.6
329.12451	2.3
339.10901	1.0
344.14874	100.0
345.15164	6.7
354.13315	26.5
354.16840	1.0
355.13486	2.7
357.97165	0.8
372.14233	23.3
372.17566	1.8
372.21957	1.4
373.14734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62070	0.3
57.20972	0.3
58.06580	1.5
66.03327	0.4
70.30238	0.4
70.30566	0.8
75.74605	0.4
81.66737	0.3
115.15411	0.3
122.61916	0.4
125.79405	0.4
138.52138	0.4
149.71461	0.4
165.07072	0.5
167.08539	0.6
168.08946	0.4
182.07251	0.7
194.07228	0.4
195.07991	1.0
201.79491	0.4
208.08884	0.5
209.05887	0.7
209.09474	0.6
210.06805	0.4
211.07524	1.0
213.09193	0.5
222.06779	0.7
223.07446	1.5
225.05205	0.4
225.09079	1.6
236.08292	0.6
237.05457	1.8
237.07523	0.5
238.06224	0.8
239.06966	5.2
240.07693	0.6
241.08487	1.4
251.06993	1.7
251.10674	0.7
252.10423	0.4
253.04932	0.4
253.08575	4.4
254.05606	1.3
254.08542	1.3
255.10143	0.7
266.09109	1.3
267.06531	0.7
267.10211	0.5
268.07294	2.5
268.09698	0.5
269.08112	3.5
269.11606	1.4
278.08578	0.5
279.06503	1.0
279.10120	2.3
280.09656	2.4
281.04959	0.8
281.08060	14.1
282.05060	0.6
282.08102	1.6
282.11322	1.9
283.09586	20.0
284.10175	2.2
294.09009	0.7
294.12418	4.9
295.09589	2.1
295.12558	0.7
296.09390	1.2
297.07501	11.3
297.10803	1.7
298.07977	1.0
308.09164	0.5
310.07178	0.8
310.11768	3.2
311.08762	3.2
311.12003	1.4
312.09836	7.2
312.13461	3.5
325.09473	4.8
325.13965	3.1
326.09836	0.7
326.13779	3.7
327.12213	100.0
328.12549	6.2
340.11670	1.8
344.14880	11.5
345.15247	1.0
349.12924	0.4
354.13333	16.1
355.13602	1.1
372.14188	3.0
372.17773	0.5
372.21609	1.2
372.25513	2.0
373.12894	0.8
389.11319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01843	0.6
56.10220	0.5
56.96540	1.2
57.03407	1.6
57.31682	0.6
61.02911	3.0
69.03417	9.3
71.04978	0.6
71.43844	0.6
73.02884	2.0
74.06043	0.5
80.03233	0.5
81.03395	3.5
85.02895	17.2
87.04447	1.7
91.03929	1.2
91.05435	1.2
97.02877	6.9
98.97552	2.5
99.04415	1.0
101.97760	0.5
103.05392	0.6
105.06990	2.2
109.02837	2.3
110.97510	0.6
112.99071	0.7
115.03923	0.6
116.98599	0.7
119.08519	0.9
123.04420	15.4
127.03907	3.3
129.06975	4.7
130.93230	0.7
137.05939	3.9
145.04904	2.1
145.06392	0.8
147.08002	2.4
149.05898	1.4
151.07565	0.6
157.06462	6.6
160.05135	1.9
163.07506	0.9
164.07054	1.9
165.09085	4.3
168.98024	2.0
172.94304	1.2
174.09138	1.8
175.07529	23.7
176.07904	1.0
177.00679	0.7
177.07877	2.6
186.99017	0.8
190.95360	1.1
192.10173	27.9
193.08578	13.2
193.10320	1.2
194.08920	1.2
210.11224	100.0
211.11559	4.5
219.01714	1.1
237.02782	1.4
274.97522	0.7
285.05338	0.7
313.02118	0.6
347.96252	0.7
372.16498	51.9
373.16705	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	372.1802
Annotation	(-)-cis-Xylopinine N-oxide
Peak:m/z	Relative Intensity
58.06333	0.4
58.06596	5.5
74.06069	10.8
97.63582	0.3
98.56864	0.3
100.11277	0.4
111.04418	0.3
121.47617	0.3
150.09891	0.4
165.06975	0.5
174.09029	0.5
182.07440	0.5
191.14244	0.4
192.10211	2.1
195.08089	0.6
196.08763	0.4
197.05788	0.3
198.06783	0.4
209.09581	0.6
210.06728	0.5
210.14932	1.1
211.07529	1.3
212.08279	0.9
213.05539	0.3
213.08984	0.5
223.07494	1.1
224.08334	0.9
225.09154	2.0
225.11131	0.5
226.09717	0.6
227.10632	1.3
236.08064	0.4
237.09122	0.8
238.09842	1.8
239.06982	1.0
239.10635	2.3
240.07776	0.7
241.08606	1.1
250.09975	0.5
251.10619	0.5
252.07805	0.6
253.08588	1.6
254.09294	1.4
254.11864	0.4
255.06657	0.6
255.10152	4.4
256.10675	0.6
265.08521	0.8
265.39597	0.4
266.08887	0.5
266.11777	0.4
267.10083	1.8
268.10886	0.7
269.08105	1.2
269.11664	2.0
270.09222	0.5
270.12473	3.9
271.09653	1.6
271.12659	0.5
279.12537	0.6
281.08109	0.8
282.08881	0.7
282.12302	1.6
283.09702	3.2
283.12589	0.6
284.10178	1.2
284.13974	0.4
285.11121	1.3
286.11957	2.7
294.11276	0.7
295.09561	0.6
296.12830	0.7
297.11057	2.2
298.11789	2.8
299.09055	1.5
299.12668	9.4
300.13162	0.6
301.14267	0.5
308.09518	0.4
308.12927	0.8
310.10754	3.5
310.14365	1.3
311.12418	1.6
313.10934	0.8
313.14282	2.5
314.11057	0.8
314.14240	0.5
324.12332	1.3
326.13852	5.0
327.12003	4.3
328.15497	1.3
329.13797	1.2
336.76331	0.4
340.11795	0.7
340.15436	1.9
340.22867	1.1
342.09702	0.6
342.13303	1.4
342.17041	1.4
354.16711	0.5
356.14841	8.6
357.11954	2.1
357.15601	1.0
372.18018	100.0
373.14075	0.5
373.18350	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	372.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06537	2.2
74.05998	1.9
91.05424	0.7
95.08535	0.5
96.65189	0.4
105.06954	0.6
107.08520	0.6
117.06924	0.6
131.08472	0.5
133.10066	0.5
144.07999	0.9
149.09550	0.8
150.09865	0.8
160.07523	0.9
162.09103	0.4
166.04970	0.6
166.66071	0.4
173.09436	0.4
173.33391	0.4
179.08540	0.5
183.07910	0.4
189.07011	0.6
191.08423	0.4
205.06351	0.9
206.07132	0.9
209.09482	0.5
217.06331	0.7
218.07216	0.6
219.08125	1.9
221.09561	1.7
222.06653	1.5
223.07426	0.9
231.08081	0.6
233.05893	1.6
233.07925	0.4
234.06714	6.0
235.07408	1.2
237.09166	2.2
238.09392	0.5
239.06935	1.0
245.00652	0.4
247.07458	1.0
248.08186	0.8
248.10471	0.6
249.09048	12.2
250.06212	1.7
250.09532	0.6
252.07805	0.4
262.09879	0.7
263.06924	1.0
263.10675	0.4
264.07751	0.6
265.08545	20.9
266.08878	0.7
266.19016	1.5
267.06454	0.6
271.09732	0.5
275.06927	0.8
276.07669	0.5
276.17313	0.5
277.08533	17.8
278.05835	0.7
278.09122	1.8
279.09900	1.8
290.09103	0.6
291.12589	0.9
292.10870	31.6
293.08047	32.3
293.11322	2.6
294.08337	1.9
294.18497	2.1
308.10355	29.3
309.10806	2.5
312.19519	4.1
323.12711	100.0
324.13013	7.7
340.12146	0.4
341.13724	1.3
342.09900	0.5
354.16904	9.7
354.20700	1.1
355.17410	0.8
366.88596	0.4
372.14041	2.3
372.18079	3.2
372.21661	59.6
373.21939	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	372.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06530	2.7
59.12508	0.4
70.79798	0.5
74.06016	2.1
85.02845	1.2
91.05411	0.9
95.08592	0.6
105.06976	1.0
107.08531	0.8
108.08923	0.6
126.27945	0.5
133.10075	3.1
133.54118	0.4
134.10506	2.4
137.09517	1.5
138.09882	0.9
144.08064	0.6
145.51953	0.4
149.09550	1.9
150.09976	2.2
162.09070	0.6
162.80882	0.4
166.04967	1.4
184.11156	0.5
191.14267	1.0
192.14618	1.6
193.10031	1.0
194.07164	0.6
206.07254	0.8
207.11452	0.5
211.07445	0.6
218.07239	1.1
219.07899	1.7
221.09543	2.4
222.06712	1.7
233.05873	1.8
234.06752	6.5
235.07370	1.6
237.09019	1.9
239.07053	0.8
240.07635	0.5
247.07449	1.1
248.08316	0.6
249.09087	11.8
250.06152	1.0
250.09384	0.8
251.10837	0.6
262.06128	0.6
263.06891	0.5
264.07675	0.5
265.08569	20.9
266.08887	0.9
266.19009	1.9
266.32727	0.6
275.06937	0.9
276.07669	0.8
277.08563	15.2
278.09149	1.4
279.10089	1.8
283.09610	0.8
291.09695	0.6
291.12656	0.6
292.10907	29.8
293.08069	30.5
293.11362	2.6
294.08429	1.8
294.18579	3.0
308.10376	30.2
308.13980	0.9
309.10767	1.9
312.19568	5.2
323.12732	100.0
324.13000	6.6
327.08594	0.8
327.12427	0.5
341.13843	1.3
354.16916	8.4
354.20715	1.0
355.17157	0.7
372.14053	1.7
372.18109	3.2
372.21680	71.1
373.04773	0.6
373.21997	4.0
374.84317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24948	0.9
60.04515	1.3
69.08462	5.8
69.08864	2.4
72.53831	1.0
80.39677	0.9
98.23412	2.9
102.51360	1.1
161.40056	1.2
165.02591	1.0
178.07968	1.0
179.08493	1.2
181.09776	1.1
191.08557	4.3
192.09242	1.1
194.07274	1.7
195.08156	1.3
202.33266	1.1
207.08043	3.3
209.09544	2.3
211.07500	1.2
219.08083	4.1
220.08913	5.7
221.09525	2.2
222.06779	1.8
223.07523	1.6
223.11134	5.8
224.08331	3.6
225.09189	1.3
233.09642	2.8
234.06680	1.6
235.07524	6.7
236.08287	14.4
237.09081	5.2
238.09854	2.4
239.06908	2.2
239.10666	5.1
247.07594	2.3
248.08224	2.7
249.09067	3.5
250.09776	2.0
251.06931	2.0
251.10637	17.6
252.07889	3.4
252.11293	1.2
253.08580	1.6
254.09332	20.2
255.09987	1.9
263.06976	1.4
263.10593	2.5
264.07922	1.9
265.08572	8.8
266.09363	3.9
267.10172	11.4
268.10602	1.6
269.11719	27.3
270.12036	2.2
277.08597	3.0
278.09177	2.6
279.10135	39.2
280.10370	2.6
281.07996	3.0
281.11664	6.0
282.08844	2.8
282.12552	1.5
294.12454	100.0
295.09634	37.4
295.12839	5.5
296.10159	3.7
297.11179	31.8
298.11789	3.3
308.12909	2.4
310.11938	53.9
311.09167	2.2
311.12662	20.3
312.13504	79.4
313.13989	6.7
323.15262	2.3
325.14301	61.8
326.11380	2.4
326.14789	2.6
341.13733	4.4
354.16931	5.2
355.17657	1.7
372.17975	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	372.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25833	1.3
60.04520	1.9
69.67638	4.3
81.10014	1.3
125.60535	1.4
178.07779	1.3
190.07625	1.9
191.08504	4.3
207.08046	4.7
208.08769	4.1
209.09598	3.8
219.08005	4.7
220.08704	6.9
221.09476	4.0
222.06705	2.3
223.07549	1.8
223.11150	4.3
224.08267	2.1
229.87555	1.6
233.09558	4.5
234.06813	1.6
235.07475	7.5
236.08292	17.0
237.09105	8.2
238.09801	4.3
239.07080	3.1
239.10602	6.9
249.09053	5.0
251.06848	2.3
251.08174	2.2
251.10637	26.3
252.07915	2.4
252.11034	1.8
253.08199	1.8
254.09361	24.0
263.10562	2.7
264.07800	4.6
265.08551	10.2
266.09305	5.7
267.10056	10.5
269.08847	1.9
269.11691	34.5
277.08728	2.3
278.09296	2.8
279.10110	45.7
279.13199	2.5
280.07593	2.0
280.10461	2.9
281.08383	3.0
281.11667	5.5
282.12369	1.5
291.61798	1.7
294.12448	100.0
295.09610	42.4
295.12759	5.5
296.10168	6.1
297.11151	37.4
298.11652	4.0
308.12848	2.9
310.11935	57.9
311.12561	21.0
312.13498	92.8
313.13986	11.3
323.15311	1.9
325.14285	76.5
326.14676	3.5
340.09357	1.5
341.13910	5.4
354.16943	5.3
355.17596	2.2
372.18042	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	372.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96281	0.5
56.96555	7.1
58.06590	1.1
65.60558	0.4
70.21038	0.3
71.95257	0.4
79.43481	0.3
87.04454	0.5
97.96777	0.7
98.97586	1.6
106.82755	0.4
110.97578	1.5
114.24337	0.4
116.98669	0.4
128.98587	2.8
131.00121	0.4
131.66747	0.3
133.39619	0.4
137.02667	0.5
139.00618	0.5
146.99631	1.9
153.02179	0.9
157.01738	0.4
167.03838	0.7
169.01724	0.5
171.03284	2.0
171.04552	0.3
178.09770	0.4
179.02248	0.4
181.05338	0.6
183.03241	0.6
185.04855	2.4
189.04366	1.1
191.05911	0.5
192.72052	0.4
199.06406	4.5
200.80646	0.4
203.05884	3.4
205.07480	0.9
210.01917	0.5
211.06284	0.8
213.07962	0.8
217.07457	5.4
219.03285	0.7
223.02805	1.5
223.08398	0.5
225.07890	0.6
226.05135	1.2
231.06956	0.6
231.09059	0.4
237.04321	3.5
238.04996	0.8
241.03876	0.6
249.08086	0.6
253.11130	0.8
255.05418	0.9
255.09016	0.5
262.08698	0.9
267.09088	2.2
279.09177	0.7
280.09808	3.1
281.10663	0.9
285.10062	0.8
289.14734	0.5
297.10120	0.6
298.10870	1.3
299.12189	0.4
305.14407	0.6
307.15756	1.6
310.11746	0.5
331.15717	24.0
332.16248	1.6
343.08228	1.2
349.16818	100.0
350.17191	6.1
367.17813	3.3
372.14050	0.6
372.18237	6.7
372.34601	1.1
373.12897	1.5
373.18570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01861	0.7
55.05478	0.9
56.05014	0.6
57.03401	1.6
58.06594	3.9
59.04979	0.5
61.02920	2.5
69.03426	6.0
69.07013	0.7
69.19170	0.4
69.66454	1.9
70.06566	0.9
71.04969	0.7
72.08138	4.5
73.02868	1.6
79.05483	3.2
81.03391	2.5
81.07039	0.5
82.06542	0.5
83.01334	0.5
84.08125	3.5
85.02408	0.6
85.02891	11.5
86.09692	3.4
87.04434	1.2
91.03913	0.7
91.05457	1.5
93.07023	1.0
95.04929	1.8
96.05304	0.7
97.02879	5.1
99.04416	1.4
100.08431	0.4
103.05441	2.2
105.06339	0.9
105.07012	12.9
107.08582	0.6
109.02865	1.6
119.04958	0.6
120.05713	2.4
127.03899	2.6
129.10252	1.1
131.08559	0.6
135.08029	100.0
136.08372	3.6
143.08540	0.7
145.04910	1.6
147.04358	0.9
157.13354	1.2
164.07040	0.5
185.12859	1.2
187.84813	0.5
189.12308	0.9
190.15849	1.0
192.13776	3.0
193.10184	0.5
195.08162	0.5
196.89243	0.5
209.09644	0.7
210.14854	47.6
211.15172	2.8
251.14166	0.6
252.15977	1.4
336.18631	1.6
354.20593	32.7
355.20779	3.2
372.21359	40.6
373.21652	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	372.2164
Annotation	Andersobine
Peak:m/z	Relative Intensity
56.05043	0.3
58.06589	2.3
69.72389	0.7
70.06564	0.3
79.05479	0.4
81.07062	0.5
91.05462	0.6
94.06523	0.3
95.08601	0.4
98.23415	0.5
105.07044	0.4
108.08129	0.3
115.93687	0.2
117.06998	0.4
121.10099	0.4
126.42550	0.2
129.06943	0.4
131.07318	0.3
131.08524	0.4
133.06503	0.3
134.09642	0.7
143.07281	0.3
143.08499	0.5
144.08072	1.6
145.06418	0.5
145.10114	0.4
150.09868	0.3
154.99806	0.3
155.08524	0.6
157.06520	0.4
157.10086	0.3
159.07982	0.2
160.07565	1.2
162.09079	0.4
167.08553	0.2
168.05685	0.3
169.10095	0.5
179.08539	0.4
180.05615	0.3
181.06488	0.6
181.10159	0.5
182.07181	0.3
183.08009	0.8
193.10158	0.6
196.05185	0.7
197.13242	0.3
198.88603	0.3
200.08150	0.3
205.10143	0.3
207.11650	0.6
208.05124	0.5
211.07568	1.0
212.08292	0.3
221.13091	0.4
223.07469	1.2
223.14821	0.4
225.05548	0.4
227.07030	0.7
237.16371	0.3
239.06931	1.8
240.07663	0.7
241.04973	0.8
249.16368	0.5
252.04083	0.3
256.07239	0.8
266.18979	2.6
267.06464	2.5
268.06845	0.4
271.09689	1.4
276.17477	0.5
277.15750	0.5
284.06790	1.1
294.18436	4.4
299.09158	1.6
312.19513	7.7
313.19907	0.6
323.15402	0.3
327.08548	0.8
327.12103	0.4
354.16898	0.6
354.20630	1.1
356.14951	0.3
372.14120	3.7
372.21634	100.0
373.14615	0.7
373.21964	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	372.2169
Annotation	Andersobine
Peak:m/z	Relative Intensity
55.72445	0.3
56.04995	1.1
58.06594	5.2
58.82207	0.3
61.12381	0.3
67.05476	0.9
69.03396	0.5
69.07072	0.4
69.22842	2.0
70.06560	1.0
72.08144	2.3
79.05468	0.8
81.07014	1.4
82.06545	0.7
84.08103	1.4
91.05450	0.8
93.06986	1.2
95.04953	0.4
95.08615	0.8
96.05294	0.3
96.08122	0.4
97.02853	0.5
98.09692	2.6
98.22661	0.5
105.07018	1.2
107.08552	0.8
108.08129	0.4
110.09650	1.2
117.07003	0.5
119.08533	0.4
121.06499	0.5
123.04385	0.5
124.11205	0.5
129.06958	1.3
131.08519	0.8
133.10156	0.3
136.11206	0.3
141.06950	0.9
143.08537	1.0
145.10123	0.7
149.05923	0.4
154.07738	0.4
155.07356	0.5
155.08513	2.0
157.06450	0.5
157.10100	0.9
159.11601	0.3
165.07019	0.8
167.08534	1.4
169.10083	1.1
170.09567	1.2
171.07976	0.6
171.11632	1.4
173.05956	0.4
173.13223	0.4
174.39087	0.4
177.05406	0.9
178.07700	0.5
179.08510	1.0
180.09311	0.4
181.06419	1.0
181.10123	2.0
183.08032	1.3
183.11650	0.7
185.09456	0.4
187.07635	0.4
191.08542	0.6
193.10120	0.8
194.10825	0.6
195.07994	0.9
195.11647	1.3
197.09552	0.8
197.13295	0.7
198.07498	0.4
198.09047	2.0
199.07491	0.4
202.07750	0.3
204.09294	0.4
205.10043	1.1
206.10812	0.6
207.08049	0.6
207.11723	0.6
208.08829	0.4
209.09549	1.5
209.13217	0.7
211.07539	1.3
214.15974	0.5
215.06868	0.5
218.10921	0.5
219.08078	0.4
219.75298	0.3
221.09683	0.7
221.13225	0.5
222.10318	0.5
223.11098	0.9
223.14809	1.3
225.09081	0.6
229.18166	0.6
233.13068	0.4
234.10251	0.5
235.11116	0.5
236.11880	0.4
237.09024	1.1
237.12804	0.7
237.16249	0.7
239.10356	0.5
241.12134	0.5
249.09047	0.3
249.12714	0.4
250.09636	0.4
251.10388	0.5
251.14258	2.5
253.12253	0.5
253.15903	0.5
255.10124	0.8
263.14310	0.5
279.13724	1.0
280.20602	0.4
282.15076	0.4
291.13818	0.6
296.16370	0.4
297.14713	0.7
298.10577	0.4
298.18121	0.7
308.19965	1.0
309.14746	0.5
312.80945	0.4
323.08862	0.4
326.21042	1.2
336.19534	1.5
354.20587	100.0
355.20917	10.4
372.21649	81.0
373.14795	0.5
373.22055	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	372.2529
Annotation	Yunnandaphnine A
Peak:m/z	Relative Intensity
55.05461	0.4
56.04971	3.3
57.03392	0.5
58.06532	12.1
58.06855	1.2
61.27072	0.3
62.82531	0.3
67.05424	0.9
69.03365	1.0
69.07004	0.6
69.39281	1.6
70.06535	0.7
71.08553	0.3
71.94040	0.3
72.08071	1.1
79.05470	1.6
80.64829	0.3
81.03362	0.7
81.07043	1.6
81.07406	0.3
82.06528	0.4
83.04918	0.3
83.08553	0.4
84.08070	0.7
85.02825	1.1
86.09661	0.4
87.17062	0.3
89.06020	3.4
90.06271	1.2
90.06778	0.3
91.05480	2.6
95.04951	1.9
95.08521	1.0
96.05274	0.7
96.08027	0.4
97.02821	0.4
97.06477	0.3
98.09675	3.7
98.23470	0.6
99.04386	0.5
105.07014	3.5
106.07260	0.3
107.04865	1.0
107.08503	1.1
109.02810	0.6
109.06432	0.3
109.10078	0.8
110.09646	1.7
115.05345	0.4
117.06935	1.4
119.08561	1.7
121.06405	1.0
127.03838	0.9
128.06152	0.7
129.06976	1.8
131.08565	1.6
133.06474	0.4
133.08562	1.6
133.10057	0.8
134.08861	0.4
134.10443	0.4
135.08011	0.6
141.06865	1.0
143.08548	2.3
145.10008	1.4
147.11592	1.3
153.06915	0.5
153.08989	0.4
155.08463	1.5
157.10103	1.8
159.11584	0.9
161.13199	0.4
162.12704	0.4
165.06902	0.5
166.04950	0.5
167.08444	0.8
169.10109	2.6
171.11676	1.8
173.13135	0.8
177.11128	0.4
178.04913	0.6
179.08482	0.4
181.10014	1.3
183.11588	1.1
185.13124	1.3
191.14226	0.5
192.14592	0.8
193.10120	0.8
195.11548	1.2
197.09361	0.4
197.13156	0.4
200.14243	0.7
203.08653	0.3
206.04463	0.9
207.11681	0.3
208.12436	0.5
209.13240	0.8
209.15279	0.7
210.15656	1.5
213.14993	0.3
214.15825	1.2
215.16516	0.5
237.12750	0.5
237.16347	0.5
250.10738	0.8
251.17853	0.4
267.06415	0.7
270.08966	0.3
294.18478	0.3
299.09259	0.3
306.07492	0.3
322.21536	1.0
329.15662	0.4
340.22656	98.1
341.23001	8.9
354.20642	2.6
372.15225	3.1
372.25290	100.0
373.05273	0.4
373.14169	0.6
373.18384	6.0
373.25620	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	373.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
57.07055	0.8
57.56887	0.5
58.06572	1.7
66.44537	0.5
69.07038	0.8
69.78712	1.3
69.79106	1.4
73.67326	0.5
79.24362	0.7
81.07018	1.3
93.06996	0.9
95.04930	0.9
100.88448	0.6
105.07001	1.2
106.02886	2.2
107.01316	1.3
107.08547	0.7
110.03638	1.0
125.05967	8.8
131.08578	0.8
133.10083	0.9
137.04688	2.4
152.07043	22.1
162.01831	2.8
180.02922	39.5
180.06525	83.0
181.03247	1.3
181.06856	2.6
190.56659	0.7
206.04509	0.8
212.09196	2.7
241.06032	0.8
246.07738	0.7
253.06009	2.5
268.04941	0.7
269.05499	2.2
281.05478	6.6
282.06155	1.9
285.08539	1.8
290.55493	0.6
297.05026	8.9
297.08643	21.7
298.05774	1.0
299.06421	1.3
313.08209	5.6
315.08575	0.9
323.06729	0.8
330.08109	1.5
341.07639	100.0
342.07928	5.5
343.08081	7.6
345.10471	1.2
358.10669	0.8
372.21597	1.0
373.13184	9.6
373.17337	0.9
373.25684	1.2
374.09827	5.4
374.16461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54253	2.1
53.03935	6.3
55.01862	11.3
55.05506	16.1
57.03431	19.4
58.06587	9.3
58.82919	2.1
60.85596	2.5
65.03925	3.4
67.05499	29.7
68.07762	2.6
69.03420	5.0
69.07059	45.8
71.04980	8.3
74.99977	2.5
77.03913	3.4
79.05036	3.8
79.05482	50.0
81.03403	8.2
81.07047	89.5
82.92467	2.2
83.04971	5.1
83.08612	6.8
85.02886	4.0
86.93945	2.2
89.01558	5.0
90.99507	2.4
91.05467	64.0
93.07034	95.9
95.04953	25.9
95.08602	18.3
97.06500	8.0
105.01131	2.2
105.04533	3.3
105.07019	32.2
105.08055	2.7
105.81608	2.4
107.04942	9.4
107.08595	25.4
109.06519	11.2
109.10123	10.1
111.04417	2.7
111.08045	5.0
115.05405	3.6
117.01070	4.9
117.07004	27.8
119.08566	40.9
121.06473	8.5
121.10120	7.6
123.08049	26.0
125.09608	6.3
128.06192	7.3
129.06990	25.3
129.10211	3.9
131.08549	26.9
133.00514	9.7
133.06477	6.5
133.10150	11.3
135.08044	14.5
137.09589	9.1
142.07784	2.9
143.07050	2.7
143.08530	19.0
145.06337	2.7
145.10110	14.9
147.08029	17.9
147.11638	5.4
149.09599	9.8
153.09042	3.6
155.06183	5.7
157.10121	18.5
159.05685	2.7
159.11670	3.9
161.06024	2.2
161.09584	8.2
161.13245	2.6
163.11029	2.4
165.04639	2.9
165.09158	4.7
171.07918	2.7
171.11655	5.9
173.07297	4.7
173.13251	6.5
175.14822	5.9
177.08992	2.6
185.07211	2.8
189.16406	5.1
197.07242	3.2
199.14771	30.2
217.15889	18.8
227.14259	4.7
235.12439	15.0
245.15257	10.7
253.13503	39.3
255.06552	5.8
263.16345	5.0
270.11905	3.5
280.10413	4.9
281.12958	4.5
282.08328	2.9
284.10010	3.7
295.12848	10.0
296.09845	4.3
298.11511	4.8
311.12381	5.8
312.13235	3.6
313.10489	2.9
313.13870	8.8
315.08710	3.3
326.14539	7.6
328.05853	6.8
328.12537	30.0
329.10080	6.3
343.08102	17.0
358.10635	3.1
359.07672	4.0
372.25308	5.5
373.12762	22.6
373.17734	43.5
373.25516	15.9
374.09860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20533	0.9
54.12173	0.9
55.05503	4.9
57.03424	2.8
57.07053	0.9
58.06593	10.3
59.09496	0.8
61.02930	0.9
61.56838	1.0
67.05500	9.0
69.03419	3.4
69.07055	4.1
69.13940	2.4
69.14333	3.1
71.04975	2.9
79.05460	1.9
81.03419	1.6
81.07043	9.5
83.04973	3.0
83.08598	3.4
85.02887	16.1
85.06522	2.2
91.05470	3.3
91.32916	1.0
93.07034	5.7
95.08591	13.9
97.02877	3.5
97.06521	3.7
97.10151	1.5
99.08139	1.3
105.07017	3.2
107.08574	8.5
109.06505	3.8
109.10145	31.5
110.10510	1.3
111.08051	12.5
113.09633	1.2
119.08557	17.3
121.10123	9.2
123.08052	15.0
123.11684	5.7
125.09634	2.8
127.03905	2.7
133.10092	16.6
135.11674	18.6
137.09596	34.1
137.13165	2.0
138.10329	2.8
139.11151	1.4
145.04964	1.8
147.11674	2.6
149.13219	6.2
151.11188	1.3
151.14819	4.2
151.52185	0.8
165.12703	6.3
165.16306	1.8
175.14790	28.4
176.15070	1.2
193.15862	26.9
193.17526	1.8
201.35257	1.1
211.16898	100.0
212.17235	5.7
243.06627	1.0
255.06506	5.6
281.07980	0.9
295.18832	1.0
313.10492	1.6
313.19693	1.2
314.07642	1.6
324.13113	1.3
329.10052	7.4
355.42575	1.0
373.21979	21.9
374.15991	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	373.2215
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05494	8.7
55.45505	4.2
56.58780	4.4
58.06583	20.8
67.05489	6.7
68.05289	4.5
69.07040	7.9
81.07036	6.8
85.02888	16.4
93.07024	6.2
95.08595	16.0
97.02830	5.1
98.23616	9.1
105.06959	5.3
107.08570	9.6
109.10130	32.7
111.08084	12.8
117.67690	4.7
119.08581	15.5
121.10112	8.2
123.08035	17.1
133.10110	19.3
135.11682	16.2
137.09608	29.9
149.13292	6.5
151.14734	4.2
165.12701	8.7
175.14766	25.1
193.15808	24.5
199.41257	4.3
211.16878	100.0
255.06374	5.4
262.71890	4.6
297.13391	5.6
328.15002	7.0
329.10028	9.7
373.21719	12.8
374.15887	11.4
379.62061	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	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33682	0.7
55.05492	1.1
56.05028	0.9
58.06593	100.0
67.05505	1.9
69.03410	0.8
69.07073	1.5
78.80619	0.6
79.18381	0.8
81.07048	1.3
83.04979	1.5
85.02905	1.1
86.09663	3.7
93.07056	1.6
95.04965	1.2
95.08596	3.4
99.08069	1.2
107.04933	0.8
107.08590	1.7
109.10139	7.3
119.08581	2.6
121.10206	0.8
130.06526	1.2
133.10106	3.6
135.11653	5.2
137.06038	0.8
137.09636	2.6
157.07632	1.4
165.07054	0.8
166.04916	0.9
167.07027	1.1
169.06502	0.9
175.07570	1.0
175.14819	4.6
191.06976	1.6
193.06445	1.1
193.15767	4.0
194.52937	0.6
195.02467	0.7
201.05373	4.6
211.16962	2.3
216.50021	0.7
225.09125	0.7
227.06886	0.9
235.11610	0.8
242.15009	0.7
255.06528	0.9
259.06125	2.0
283.03561	1.1
298.05869	1.4
326.05466	2.7
341.07544	7.5
341.23044	2.1
356.22171	1.2
359.43097	0.8
373.10297	2.2
373.17975	1.7
373.22156	2.2
373.26013	1.7
374.15942	36.9
374.23486	2.9
387.40701	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01868	2.9
55.05505	100.0
56.05047	0.8
56.05843	1.7
57.03439	1.0
57.07081	2.0
58.06602	2.8
67.05495	7.1
68.81021	0.5
69.03411	1.0
69.07053	4.8
70.06589	2.1
71.04980	0.9
71.08626	1.0
79.05481	11.1
81.03421	1.3
81.07050	19.5
83.04968	0.9
83.08611	41.8
85.06564	1.3
85.10182	0.7
87.04464	1.1
88.07624	7.9
91.05463	10.1
93.07035	7.1
95.04961	6.2
95.08595	4.6
97.06527	1.2
97.10161	3.9
102.09200	1.6
103.05459	0.8
105.07026	8.4
107.04940	5.4
107.08575	4.7
109.06540	2.6
109.10150	1.2
111.08086	1.1
115.05428	0.7
116.34662	0.8
117.07005	4.4
118.08668	0.7
119.04954	1.4
119.08556	9.6
121.06522	3.6
121.10159	3.1
123.08094	2.0
123.11732	0.8
125.09604	4.4
128.06296	0.8
129.07033	2.8
130.07797	0.9
131.08554	10.6
133.06505	2.4
133.10135	3.0
135.08058	4.4
135.11656	1.4
137.09641	1.0
143.08554	3.7
143.10771	0.8
145.06531	0.9
145.10100	6.0
147.08005	5.1
147.11674	1.8
149.09613	2.5
153.01826	1.0
155.08534	0.9
157.10164	2.3
159.08070	2.2
159.11726	2.3
161.09607	3.5
163.11151	4.2
171.11716	1.8
173.09525	1.0
175.11221	3.8
177.09033	0.7
179.53548	0.6
181.10201	0.7
183.11861	1.1
185.13312	1.9
187.11179	0.9
187.14806	1.6
189.11229	2.3
203.14415	0.7
213.12782	1.1
213.16289	1.2
217.16054	0.7
221.13339	0.8
223.13365	2.3
245.19000	1.1
249.14861	2.4
255.06662	0.9
255.17488	2.7
273.18420	14.6
275.16519	0.8
290.18591	1.2
291.19510	14.2
292.19901	1.3
303.19620	2.3
312.32642	4.8
326.34143	1.1
329.10226	1.4
331.22818	1.0
336.76624	0.8
343.08124	8.9
344.08719	0.9
358.10513	1.0
373.12827	13.7
373.27374	34.0
373.31238	1.2
374.13025	1.0
374.23431	1.0
374.27951	2.4
374.36258	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	374.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.8
58.06595	30.0
67.05491	1.5
69.03419	1.7
69.25793	3.6
70.02923	1.1
70.05483	0.8
70.20148	0.7
72.08131	2.4
73.02896	1.0
81.03423	1.7
81.07033	0.8
84.08130	13.6
85.02425	1.0
85.02882	5.5
85.08473	2.1
86.09705	5.1
89.03895	1.0
90.03439	2.5
91.05440	0.8
92.05016	0.6
93.05765	0.7
93.07050	1.0
97.02883	2.3
97.10834	0.6
98.09663	0.8
99.00001	2.1
99.05563	9.7
109.02849	2.1
112.03946	2.3
117.03376	3.2
126.01054	100.0
127.01389	1.6
127.03916	1.0
128.02617	43.1
128.06293	0.8
128.33031	0.8
129.02979	0.9
129.10229	9.9
130.10530	1.5
135.08040	0.9
138.05490	1.1
141.06598	1.6
144.02075	1.7
145.02852	7.1
149.05968	1.2
165.06697	1.5
169.05341	0.9
177.05460	13.8
181.06554	1.1
189.12639	0.8
195.03267	0.7
195.06502	5.8
195.08110	1.1
209.05902	2.5
212.05833	61.3
213.06094	2.2
224.05830	33.2
225.06152	0.9
254.06906	28.5
255.06909	1.7
269.08038	2.3
278.06879	24.6
279.06711	2.0
284.09186	1.4
290.06903	5.9
308.07898	5.0
311.09085	1.8
320.07895	8.2
329.10071	3.0
338.09085	4.4
342.24075	1.2
356.15152	1.3
356.22141	21.2
357.22672	1.0
373.28030	2.3
374.15887	42.8
374.23160	96.9
375.16342	3.9
375.23508	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16958	0.7
53.03933	0.9
53.50840	0.8
57.03428	0.9
57.53662	0.7
58.06596	29.3
61.02911	2.1
67.05510	0.7
68.73346	0.9
69.03418	3.3
71.44250	0.9
72.08142	1.5
81.03394	1.5
82.47270	0.7
84.08131	2.1
85.02895	12.4
86.09685	2.0
89.03905	4.9
91.03917	0.8
91.05485	1.6
95.04956	1.0
97.02882	3.9
101.50443	0.7
105.07025	1.4
109.02838	1.4
116.07045	1.0
117.03360	11.7
121.06506	0.9
126.01054	1.1
127.03900	2.2
129.10240	2.2
133.98997	0.7
134.03615	1.2
135.04462	1.7
145.02832	35.9
145.04971	3.1
146.03151	1.0
147.11542	0.8
149.05978	6.1
155.08493	0.8
157.10051	0.9
159.44493	0.9
163.03893	2.7
177.05453	86.8
178.05896	3.8
195.06516	40.7
196.06895	1.0
198.09163	1.0
207.11681	0.8
209.05972	1.5
212.16261	0.9
221.29541	0.9
227.07034	0.9
227.09402	2.3
231.90491	0.8
242.11841	0.9
255.09067	1.0
272.09033	0.9
283.08356	1.1
284.09058	1.4
299.07880	4.0
300.08658	8.1
309.16537	0.7
314.10226	9.7
315.10907	2.0
330.13400	1.5
342.24313	0.8
343.11642	1.3
356.14999	1.7
356.22147	31.2
359.09903	7.1
374.12173	18.8
374.15961	23.3
374.23218	100.0
375.12430	1.2
375.16394	2.7
375.23505	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07769	0.6
55.01863	0.9
57.03415	0.9
58.06577	3.1
61.02928	1.6
63.10594	0.7
66.99226	0.7
69.03404	3.3
69.17583	0.7
73.02895	1.3
81.03422	1.6
85.02892	16.4
89.03897	6.1
91.03941	1.0
97.02880	3.8
109.02823	0.9
114.92816	0.7
117.03361	15.2
121.02890	0.7
127.03007	0.7
127.03913	2.6
128.99670	0.7
134.03574	1.4
135.04413	0.8
145.02823	44.2
145.04910	4.1
146.03221	0.8
149.05931	6.2
153.05434	0.9
163.03908	2.7
177.05438	100.0
178.05832	4.6
180.08615	1.6
190.63525	0.7
195.06500	47.9
196.06815	1.1
196.09795	0.7
338.20911	0.9
356.22110	5.3
359.09891	0.8
374.12057	1.0
374.16061	5.0
374.23126	14.3
374.26956	1.2
375.23242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	8.8
72.08135	0.6
93.92945	0.3
94.53295	0.3
113.23271	0.3
128.06155	0.5
129.06615	0.4
140.33368	0.3
141.07025	0.6
142.27399	0.3
143.08502	0.3
152.06204	0.5
153.06967	0.9
155.08478	0.5
155.38933	0.3
156.05727	0.5
157.82986	0.3
165.06952	1.1
167.04919	0.6
168.05652	1.3
169.06398	0.7
171.07991	1.3
177.16379	1.1
178.07861	0.5
181.06445	0.6
182.07188	0.4
183.07967	0.7
184.05159	1.9
185.05948	0.4
193.06421	1.0
194.07295	0.9
195.04349	1.0
195.08000	0.5
196.05135	1.0
197.05913	1.2
199.07587	1.7
208.05220	0.3
209.05939	1.2
210.06709	1.2
211.07468	0.5
212.04640	8.3
213.05354	2.5
220.05157	0.7
221.05849	0.5
222.06770	0.4
223.03818	2.7
223.07339	0.3
225.05431	0.7
225.09201	0.4
226.06409	0.4
227.03430	1.9
227.06932	3.6
228.07669	0.6
236.04564	1.6
237.05402	2.4
238.06192	1.3
240.04161	2.4
241.04950	3.1
243.10117	0.9
251.07050	1.6
252.07823	1.8
253.04805	0.4
253.08662	1.6
254.05692	6.2
255.06479	64.9
256.06812	3.1
269.08313	0.5
279.06525	0.7
297.07520	1.8
311.09079	3.8
314.07776	19.1
315.08194	1.1
329.10123	100.0
330.10431	7.0
374.15906	19.6
374.22321	0.7
374.26700	0.8
375.16251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1594
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
55.97291	0.2
56.05009	0.4
56.96555	0.9
58.06592	50.3
58.80925	0.3
59.06938	0.5
69.03426	0.5
70.06628	0.3
70.53606	0.3
70.65050	0.7
71.07363	0.4
72.08150	0.8
84.08140	0.5
85.02908	1.4
88.07638	0.4
98.97573	1.4
102.44268	0.3
110.97564	0.3
116.98637	0.9
127.03950	0.6
128.98616	0.4
137.05988	0.8
146.99529	0.3
148.07535	0.4
149.05922	0.4
157.06506	0.4
158.99625	0.4
163.04076	0.3
164.07065	0.5
166.15921	0.3
177.00746	0.5
181.06517	1.0
185.05994	0.3
194.08067	0.9
195.08040	0.6
201.00746	0.4
201.05400	0.7
203.07214	0.5
209.05901	2.2
210.06821	0.5
210.11255	0.4
211.04094	0.3
211.07639	0.4
212.09207	0.8
212.11864	0.4
213.09052	0.3
217.60005	0.3
219.01778	0.5
223.07535	0.5
225.05321	0.4
225.09091	0.3
226.06210	0.7
227.07059	1.1
237.02972	0.4
237.05458	0.7
238.06177	0.5
241.08636	0.7
253.04938	0.6
253.08615	0.7
254.05779	0.5
255.06482	0.6
258.08786	0.3
260.95752	0.3
268.07364	0.5
269.08014	1.4
271.06094	0.5
285.07211	0.3
286.08313	0.4
297.07587	0.7
300.08746	0.4
301.10760	0.7
316.11783	0.4
329.10245	1.1
356.21997	1.7
359.13678	1.3
374.15927	100.0
374.23462	4.5
375.11258	0.6
375.16278	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	374.1595
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
56.05026	0.7
58.06592	100.0
59.06931	1.1
63.20530	0.3
69.18497	1.6
72.08159	0.4
75.34436	0.3
84.65392	0.3
86.09687	0.8
88.81738	0.3
93.20990	0.3
104.65929	0.3
107.47922	0.3
109.12327	0.3
137.09639	0.3
145.06438	0.5
165.06998	0.6
169.06488	0.4
177.09111	0.3
193.06454	1.1
201.05440	4.9
201.09138	0.4
210.91618	0.3
211.07611	0.8
211.36382	0.3
218.34261	0.3
225.09000	0.3
226.06287	0.4
227.07019	0.9
229.04924	0.7
229.08482	0.3
241.08578	0.4
242.05949	0.3
244.03653	0.6
253.08556	0.3
255.06595	0.5
257.08084	0.5
259.05978	2.6
261.07489	0.7
285.07504	0.5
301.07056	0.4
311.09003	0.6
329.10062	1.3
342.20715	1.0
356.22092	0.8
374.15875	26.2
374.22775	2.2
375.16318	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1595
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
56.05032	0.5
58.06594	49.6
59.06936	0.5
69.76061	1.0
72.08144	0.6
85.02893	0.3
88.07613	0.4
115.05453	0.3
135.51439	0.3
137.05997	0.5
149.05939	0.5
153.06981	0.5
157.06494	0.4
165.05458	0.4
165.06874	0.4
181.06483	0.8
182.07103	0.3
185.05977	0.6
195.08057	0.5
201.05463	0.7
201.47682	0.3
202.14925	0.3
209.05937	1.9
210.06609	0.5
215.06786	0.3
216.07808	0.4
223.07527	0.7
226.06274	0.5
227.07036	0.7
237.05440	0.5
238.05939	0.4
240.07739	0.7
241.08559	1.0
242.09309	0.4
251.07016	0.4
253.04887	0.4
253.08734	0.4
254.05931	0.3
255.06485	0.8
257.08099	0.3
268.07349	0.4
269.08047	1.3
270.08734	0.4
286.08267	0.7
297.07581	0.7
301.10635	0.8
316.11594	0.5
329.10208	0.7
356.22226	1.9
359.13586	1.6
374.15927	100.0
374.23483	3.3
375.16263	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	374.1597
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
53.03922	0.5
55.05508	0.6
56.05030	1.9
58.06597	50.0
59.06924	0.5
59.38134	0.4
67.05511	0.6
69.03419	1.8
69.07058	1.8
70.06581	1.0
72.08155	3.8
73.02903	1.2
74.17522	0.4
79.05473	1.1
81.03405	1.6
81.07078	0.9
84.08132	1.5
85.02892	3.2
86.09699	7.1
87.00815	1.3
91.05472	1.1
93.07040	1.1
95.04953	0.5
95.08604	0.8
97.02876	1.1
97.77418	0.4
98.09682	3.5
99.04466	0.7
105.01882	0.6
105.06998	1.9
107.04919	0.6
108.08110	0.4
109.02866	1.9
109.06469	0.5
110.09657	0.6
117.07011	0.6
119.08564	1.1
120.08097	0.8
121.06508	0.8
122.09653	0.4
123.04363	0.5
127.03903	54.0
129.06985	1.1
129.10254	0.6
130.04958	0.5
131.08545	1.5
133.10097	0.5
140.07053	1.3
141.06967	0.8
142.07750	0.5
143.08562	1.2
145.04955	0.5
145.10124	1.5
147.11681	0.5
149.05988	0.6
149.39001	0.4
153.05382	0.4
155.08595	1.0
157.10149	0.8
159.02821	0.6
159.08000	0.6
159.11700	0.6
165.05534	0.5
166.08618	0.5
168.06538	1.9
169.06522	0.4
169.10115	0.9
171.11606	1.4
177.05428	1.4
179.08554	0.5
181.06461	1.0
181.10057	1.1
183.11653	0.8
185.09596	0.5
188.14291	0.4
195.06523	1.2
195.08168	0.5
197.05907	0.6
197.09669	0.5
199.18036	1.7
209.05875	2.5
209.09480	0.5
212.09164	1.2
216.07803	0.5
218.10849	0.5
223.07437	0.5
225.08977	0.5
227.06966	0.6
227.17471	0.9
233.54437	0.5
237.16568	0.4
240.10139	1.4
241.07378	1.7
251.06927	0.7
253.04996	0.6
253.08530	0.5
255.06406	0.5
255.10188	0.4
256.09695	0.7
269.06534	3.1
284.09137	61.7
285.09628	5.6
301.10867	0.9
309.54211	0.4
311.09134	0.6
329.10196	0.4
338.21103	1.7
341.16205	6.7
342.16779	0.6
355.20926	0.6
356.22150	83.4
357.22409	4.1
359.13443	0.9
374.15906	100.0
374.23169	84.1
375.12537	0.5
375.16336	9.3
375.23480	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	374.1596
Annotation	16-Oxoprometaphanine
Peak:m/z	Relative Intensity
52.52057	0.3
56.05033	0.6
57.05808	0.3
58.06593	100.0
59.06924	1.2
61.31410	0.3
61.49041	0.3
63.27796	0.3
72.08134	0.5
81.07085	0.3
87.88039	0.3
93.07027	0.3
95.08609	0.5
98.09592	0.3
98.22604	0.6
107.08588	0.3
121.10158	0.4
126.45498	0.3
128.06216	0.4
153.06947	0.5
155.08669	0.5
157.06490	0.4
165.07004	1.1
168.05658	0.5
169.06445	0.4
171.08070	0.6
177.16357	1.2
181.06412	0.4
184.05180	0.5
186.34096	0.3
193.06496	1.2
195.04390	0.5
196.05153	0.6
197.05946	0.5
199.07626	0.6
209.05923	0.4
210.06796	0.3
211.07545	0.6
212.04675	2.8
213.05443	1.2
213.18631	0.4
220.05202	0.4
223.03891	0.7
223.07567	0.4
225.09038	0.6
226.06151	0.7
227.03416	0.7
227.06964	2.1
229.04930	0.4
236.04688	0.5
237.05482	0.9
238.06215	0.6
240.04138	0.8
241.04956	0.8
241.08534	1.0
243.10225	0.7
244.03716	0.9
251.07162	0.6
252.07738	0.8
253.08595	1.0
254.05685	1.6
255.06494	22.7
256.06903	1.0
259.05997	2.8
269.08035	0.6
279.06558	0.5
279.10172	0.8
283.09695	0.6
285.07513	0.8
285.10916	0.4
287.09088	0.3
294.12476	1.6
295.09653	0.5
297.07690	0.7
297.11020	0.5
300.12317	0.4
301.07077	0.8
310.11523	0.7
311.09305	1.8
313.10355	0.4
314.07834	5.4
314.13867	0.8
315.08292	0.5
325.14297	0.9
329.10147	32.7
330.10486	2.2
342.13190	0.7
356.22021	0.3
373.21899	0.4
374.15918	49.1
374.22525	1.7
375.16260	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	374.2322
Annotation	Deacetylspiramine S
Peak:m/z	Relative Intensity
51.92258	0.3
56.05015	1.7
58.06330	0.6
58.06594	6.8
67.05489	0.8
69.33059	0.8
69.33457	1.4
71.24930	0.3
72.08145	0.8
79.05480	1.3
81.07039	1.3
84.08122	0.9
91.05472	1.1
91.06900	0.4
93.07010	1.3
95.08596	0.5
98.09676	2.9
105.07030	1.8
109.06504	0.5
110.09679	0.6
117.06990	0.7
119.08600	0.7
121.06480	0.7
126.26355	0.4
129.06984	1.1
131.08551	1.4
133.06471	0.4
133.10133	0.5
138.12758	0.4
141.06985	0.6
143.08530	0.7
145.06483	0.5
145.10091	1.7
145.11093	0.4
147.11542	0.4
155.08553	1.1
157.06369	0.4
157.10092	1.3
159.11647	0.9
165.06935	0.4
167.08502	0.5
169.10098	1.2
171.11671	1.3
173.09706	0.4
173.13225	0.4
179.08490	0.6
181.10057	0.7
183.11678	0.6
188.14250	0.5
193.10129	0.5
195.11612	0.6
197.09691	0.4
207.11703	0.7
209.09642	0.4
209.13423	0.4
214.15958	0.6
216.17513	0.9
219.11703	0.5
221.13329	0.6
223.14883	0.4
234.13922	0.4
237.16338	0.4
272.84695	0.4
280.20721	0.6
281.21259	0.5
328.22726	1.0
338.21115	1.2
356.22153	100.0
357.18158	0.6
357.22498	7.6
374.15707	3.0
374.23209	79.6
375.16370	0.5
375.23547	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	374.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	23.7
58.06597	43.9
67.05503	83.4
69.07053	28.3
69.68343	16.7
71.04987	74.6
79.05479	48.2
81.07037	51.5
83.08616	21.4
88.07610	9.1
91.05463	23.2
93.07028	33.7
93.23990	9.4
95.04942	24.1
95.08601	25.8
97.06582	9.1
97.10136	29.8
105.07009	27.0
107.08573	49.7
109.10152	65.2
117.06991	9.2
119.08566	15.3
121.10129	21.6
125.09600	26.9
131.08519	13.4
133.10078	11.5
135.11671	10.5
142.40901	8.9
142.91443	8.5
145.10062	14.0
149.13304	9.2
155.10657	14.6
159.11661	9.4
173.11731	76.4
174.36464	8.4
177.12706	10.7
187.13268	71.0
200.29556	9.9
203.12711	26.7
241.17911	15.7
275.19934	36.7
307.22498	9.4
329.10266	8.9
332.89328	8.4
344.08484	17.0
352.37399	9.0
374.09631	100.0
374.15753	29.9
374.23129	11.6
374.32538	13.0
375.10043	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	374.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.3
58.06585	39.4
60.78054	6.8
61.22739	6.0
63.93451	6.0
67.05510	53.5
69.07065	21.9
69.55299	7.1
71.04990	51.7
74.07915	5.7
79.05490	36.3
81.07051	36.4
83.08606	11.0
91.05470	16.1
93.07030	26.6
93.08268	6.9
93.70086	5.8
95.08602	28.8
97.06543	10.4
97.10167	17.9
105.07027	18.6
107.08606	34.8
109.10166	32.2
114.57655	6.4
117.07004	6.8
119.08588	10.6
121.10124	12.4
125.09595	11.1
131.08566	12.0
133.10115	9.7
143.08498	7.7
145.10291	5.7
147.11772	7.7
159.11737	8.3
173.11707	40.5
177.12724	11.2
187.13268	30.3
193.79861	5.4
203.12773	15.2
212.47858	5.7
239.06213	8.8
241.17970	13.7
255.06592	13.5
275.20078	15.6
289.21695	11.2
326.20670	6.3
329.10217	21.1
344.08463	12.6
351.19788	8.8
356.21973	9.3
374.09695	100.0
374.16382	35.8
374.22980	7.9
375.10388	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	375.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01856	1.0
55.05495	0.5
55.83659	0.3
56.05022	1.5
57.03431	0.6
58.06593	17.0
59.06934	1.8
60.04515	0.4
61.02907	0.5
67.05481	0.7
68.99769	0.4
69.03414	3.0
69.07059	0.4
70.06577	0.9
70.24076	0.6
71.04967	0.5
72.08148	3.7
73.02899	0.8
74.06034	0.4
79.05471	0.8
81.03414	2.7
81.07050	1.1
82.06585	0.6
84.08128	1.1
85.02899	3.8
86.09689	3.6
87.00816	1.7
91.05463	1.8
93.07029	1.2
95.04953	0.5
95.08553	0.5
97.02875	1.2
98.09686	2.2
98.97559	0.4
99.04446	0.8
103.05479	0.4
105.01864	0.9
105.07030	1.6
106.69774	0.3
107.04942	0.5
107.08566	0.7
108.08109	0.3
109.02856	3.6
109.06499	0.5
110.09662	0.7
115.05382	0.3
117.01843	0.4
117.07027	0.6
119.08543	0.8
121.06505	0.8
124.11181	0.6
127.03897	100.0
128.04227	2.0
128.06244	0.3
129.06981	1.2
129.10214	0.8
131.08543	1.5
133.06538	0.4
133.10146	0.4
137.05960	0.9
141.07008	0.4
143.08572	1.0
145.04933	1.1
145.06310	0.3
145.10094	1.1
147.11668	0.3
149.06010	0.5
155.08524	0.8
157.10072	0.9
159.02856	1.2
159.08052	0.4
159.11693	0.4
161.09404	0.4
162.12775	0.3
163.03860	0.3
165.07097	0.4
167.08525	0.5
169.10078	0.8
171.08052	0.3
171.11554	0.4
175.07535	0.4
179.08594	0.4
181.10071	0.5
183.11739	0.4
191.08615	0.3
195.11652	0.4
197.09621	0.5
199.11092	0.3
199.18085	0.9
200.18333	0.3
207.11626	0.6
209.05946	0.4
209.13158	0.4
216.17485	0.3
223.14920	0.4
227.98468	0.3
231.05110	0.4
284.09109	2.6
285.09518	4.3
286.10080	0.5
286.17645	0.3
302.11093	0.4
338.21198	0.9
339.21576	0.8
340.22513	0.4
342.16431	0.3
356.22147	41.4
357.22479	27.6
358.02582	0.3
358.12891	0.3
358.23651	3.9
360.13947	0.3
374.16278	4.9
374.23187	48.9
375.12579	1.3
375.16272	23.4
375.23547	32.8
376.16830	0.9
376.24771	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	375.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38120	1.1
56.96555	8.4
58.06593	12.5
61.73719	1.2
67.05478	1.5
67.07650	1.1
69.64460	2.9
69.64827	2.1
70.06557	3.2
72.08121	3.1
84.04445	1.9
84.08073	4.9
86.09681	3.0
91.05418	1.9
93.73860	1.2
97.02839	1.3
98.96972	1.8
98.97565	24.2
110.97555	3.0
116.98586	14.9
127.03913	6.0
128.98550	4.4
129.10196	3.0
134.92570	1.4
134.99596	4.9
141.02193	1.4
146.99576	1.2
147.07585	1.6
160.33415	1.3
161.01137	1.5
169.05278	1.5
172.94298	2.0
175.11543	1.2
177.00658	1.6
187.06372	1.4
190.95332	2.0
195.56027	1.4
208.96364	1.7
213.04202	4.3
214.95401	2.0
219.01645	4.3
221.76779	1.4
231.05211	5.3
232.96394	5.8
234.95831	4.5
237.02657	5.0
252.96970	5.7
255.05539	2.7
256.96094	1.6
271.05933	2.9
273.06378	2.2
274.97470	10.1
278.96710	2.4
292.98709	6.5
350.95212	2.4
358.23657	6.4
374.22900	1.8
375.10229	100.0
375.23257	9.1
376.10107	3.9
376.13684	4.4
376.24820	32.3
392.94635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.4
57.37266	2.2
58.06584	12.3
64.32407	2.1
67.05506	3.0
69.03416	4.6
69.07072	11.6
69.61385	9.0
69.61749	4.1
79.05489	6.5
81.07044	11.7
82.36891	2.5
83.08621	6.5
85.02892	7.5
91.05471	3.0
93.07059	11.2
95.08595	23.2
97.10157	5.2
99.08078	8.8
105.07026	4.6
107.08582	28.8
109.10153	6.8
111.08086	7.8
115.63195	2.2
119.08559	2.2
121.10124	58.4
123.11681	3.1
125.09621	5.9
135.11668	8.9
137.13223	5.6
149.13237	4.4
177.09088	4.0
177.16353	100.0
178.16734	4.8
190.90535	2.9
192.64980	2.4
195.17365	20.9
213.05284	9.0
213.18468	15.9
228.07307	2.5
241.04405	2.8
255.06401	12.5
256.06830	33.3
312.09338	2.8
315.08124	12.0
329.10098	6.4
330.10449	65.2
331.10629	5.0
375.16080	17.5
376.24786	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	375.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01872	2.4
55.05504	100.0
57.03444	1.1
57.07058	2.2
58.06585	1.3
61.02886	0.9
61.27471	0.9
65.03921	1.6
67.05495	16.8
69.03413	1.9
69.07066	7.7
71.04994	2.5
71.08636	1.0
77.03936	1.0
79.05480	17.5
81.03416	1.9
81.07048	22.0
83.04956	2.0
83.08610	54.8
84.08936	1.2
91.05460	19.2
93.07034	25.8
95.04954	21.1
95.05527	1.9
95.08590	16.1
97.06532	4.5
97.10162	3.5
98.23444	3.6
99.08083	1.2
103.05497	1.2
105.04581	1.0
105.07013	28.5
107.04945	5.3
107.08573	16.8
108.28297	1.0
109.06517	6.6
109.10145	7.8
111.08083	2.0
115.05501	1.4
117.06993	7.3
119.08566	25.2
121.06512	5.5
121.10133	18.7
123.08053	2.2
123.11729	2.0
125.09621	3.5
128.06224	2.3
129.06978	4.1
130.07784	2.8
131.08554	15.7
133.10112	14.7
135.08034	3.2
135.11671	4.8
139.11205	1.3
141.07025	1.4
142.07753	4.7
143.08556	9.2
144.09209	1.4
145.10107	20.9
145.11220	1.6
147.08044	1.3
147.11682	6.5
149.09604	8.1
149.13295	1.8
155.08574	4.9
156.09354	1.2
157.10120	9.8
159.11650	9.4
161.09627	4.3
161.13239	1.7
163.11137	7.5
165.12740	1.7
167.08626	1.4
169.10156	4.5
170.10986	1.1
171.11696	4.8
173.13226	6.3
175.11183	1.9
175.14786	1.7
177.12769	3.2
179.08549	1.7
181.10141	2.9
182.10841	1.3
182.84723	0.9
183.11693	3.0
185.13255	3.1
187.11287	1.8
187.14833	4.0
189.11156	5.2
189.16356	2.1
195.11652	1.6
197.13263	3.5
199.14798	2.0
201.12714	1.3
201.16414	1.5
205.10262	1.0
207.72516	1.2
209.13208	3.0
211.06033	1.2
211.14821	2.4
213.16345	1.4
223.13252	3.7
229.19533	1.6
239.17915	3.2
247.20561	1.4
257.18951	5.1
265.19714	1.4
275.20029	30.8
276.20490	2.4
287.20050	1.8
293.21088	7.3
305.21106	5.4
324.55801	1.1
357.27963	1.9
375.13080	1.2
375.29416	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	375.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21600	0.9
53.03932	3.5
55.01857	4.7
55.05504	100.0
56.05826	1.4
57.03425	1.5
57.07064	1.7
57.37459	1.0
67.05495	16.0
69.07076	8.3
69.48297	2.2
69.48703	3.8
71.04984	1.7
74.26272	1.0
79.05484	13.6
81.03405	2.3
81.06564	1.2
81.07046	23.4
81.07500	2.1
82.59834	1.0
83.04955	2.3
83.08609	47.5
91.05464	13.1
93.07033	16.2
95.04960	8.3
95.08602	12.3
97.06519	7.5
97.10151	2.0
105.07006	19.4
107.04945	5.4
107.08583	8.5
109.06504	4.6
109.10148	6.3
111.08071	3.2
117.06998	5.1
119.08557	16.1
121.06486	3.0
121.10149	5.5
123.08030	4.0
123.11682	2.1
125.09644	2.0
129.07016	2.1
131.08549	9.0
133.06508	1.2
133.10109	12.5
135.08054	4.6
135.11661	4.6
137.09578	4.0
143.08566	3.1
145.06464	1.0
145.10078	8.1
147.08026	1.1
147.11696	7.6
148.75497	1.0
149.09563	6.5
149.13234	2.4
151.11180	1.8
157.10162	1.7
159.11702	5.7
161.09589	1.5
161.13243	2.4
163.11177	3.8
165.09142	1.2
165.12732	1.2
169.10184	1.6
171.11639	2.9
173.13231	4.5
175.14813	1.0
177.12730	1.5
185.13226	1.1
187.14886	1.2
189.11258	1.4
197.13260	1.6
211.06079	1.6
229.19571	2.8
229.71834	1.2
239.18005	1.6
247.20554	4.5
257.18912	5.5
275.20020	56.3
276.20392	2.6
293.21078	7.1
305.21118	1.4
327.34540	1.4
357.27841	4.3
375.13666	1.5
375.29028	10.8
375.36716	1.3
376.25037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.6
55.01851	4.4
55.05504	100.0
56.05837	1.7
56.10736	1.4
57.03432	3.0
58.06581	2.4
65.03932	1.9
67.05494	21.5
68.49087	1.4
69.07057	6.9
69.35153	5.5
70.34770	1.4
71.04982	2.1
79.05483	31.5
81.03400	3.4
81.07045	87.2
82.07384	2.2
83.04949	4.7
83.08609	49.8
88.11276	1.3
88.21577	1.4
88.67625	1.2
91.05460	14.2
93.07014	17.0
95.04961	9.8
95.08586	12.7
97.06505	4.7
97.10131	2.4
98.22736	2.7
99.08066	2.9
105.07012	15.6
107.04929	5.6
107.08579	13.9
109.05737	2.6
109.06499	43.0
109.07212	3.1
109.10138	7.0
111.08054	3.2
117.07003	3.4
119.08561	16.2
121.06468	2.9
121.10114	10.4
122.65404	1.5
123.08045	4.6
123.11662	4.1
129.07034	1.6
131.08553	5.5
133.10088	9.5
135.08058	3.0
135.11679	4.2
137.09636	2.3
145.10069	7.4
147.11662	10.1
149.09586	3.6
149.13255	9.5
151.11145	2.0
157.10100	4.0
159.11674	6.0
161.13177	2.0
163.11116	4.5
163.14792	4.7
165.12727	6.2
171.11636	2.6
173.13211	3.4
175.11203	2.9
177.12720	2.4
187.24112	1.8
193.12225	3.1
211.05959	1.9
229.19489	3.9
247.20564	8.0
257.18912	4.1
275.20044	58.2
276.20309	2.6
285.18036	1.5
293.21039	9.8
375.28989	7.0
387.51788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.05506	100.0
57.03427	2.7
57.57173	2.3
67.05486	11.1
69.07053	7.2
69.08447	7.0
69.08868	10.0
79.05475	8.7
81.07047	16.4
83.04968	2.7
83.08613	47.8
89.92014	2.4
91.05479	8.8
93.07024	10.0
95.04932	3.5
95.08593	8.9
97.06478	2.9
97.88969	2.5
98.22670	5.0
105.06998	15.3
107.04951	3.6
107.08566	7.8
109.06499	7.7
109.10132	4.0
117.07019	3.5
119.08560	8.3
121.06467	3.4
121.10110	4.6
123.08028	4.1
131.08554	8.1
133.10109	9.3
137.51868	2.5
145.10141	5.0
147.11656	6.0
148.41895	2.3
149.09590	4.3
151.11218	3.7
177.12798	3.6
213.93658	2.5
257.19052	5.6
275.20050	64.9
276.20352	4.2
280.17151	2.7
293.21027	15.5
375.28745	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55047	0.5
53.03932	0.6
54.39754	0.4
55.05264	0.7
55.05508	7.4
57.03429	27.8
57.07072	0.9
58.06585	0.7
60.15004	0.6
64.32758	0.5
67.05490	3.7
69.07062	7.7
69.11700	3.1
76.18418	0.5
78.10577	0.5
79.05485	7.6
81.03419	0.5
81.07050	11.7
83.08607	3.6
91.05482	5.3
93.07024	5.9
95.04948	1.4
95.08587	2.3
97.06519	9.4
99.08081	100.0
100.08424	1.9
105.04533	0.7
105.07009	5.3
107.08585	3.5
109.06487	2.9
109.10126	0.6
117.07001	1.4
119.08566	3.9
121.10127	2.3
123.11696	0.7
129.07019	0.8
131.08572	1.0
133.10115	3.1
135.11688	1.5
143.08543	0.8
143.30418	0.5
145.10126	1.7
147.11623	3.1
149.09621	0.5
149.13200	1.1
157.10107	1.3
159.11693	1.5
161.13269	1.5
163.11230	0.5
171.11697	0.6
173.13174	0.9
175.11154	0.8
185.76266	0.5
196.24907	0.5
211.05928	0.6
228.41994	0.5
259.20517	2.1
275.20056	3.8
277.21576	1.2
281.87811	0.5
293.21320	0.7
356.19470	0.5
357.28137	0.5
362.86670	0.5
375.29233	2.5
375.36716	1.5
376.25223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	1.0
58.06581	0.7
65.03936	1.2
68.01375	1.0
69.62736	1.5
81.07009	0.4
92.04990	1.1
95.04990	0.8
95.08622	0.4
97.06515	1.0
98.09663	0.5
98.22723	0.5
101.06016	0.5
102.03445	0.5
114.03370	0.7
120.04452	8.4
121.02853	59.2
122.03214	1.3
124.07575	0.9
129.04474	18.5
130.02911	1.6
130.03993	4.7
132.04324	0.4
136.07550	2.2
141.04451	0.4
147.05527	1.0
162.05502	1.8
170.02382	0.6
188.03406	34.0
189.03700	0.8
190.04961	3.8
193.91864	0.4
197.03455	1.7
206.04478	7.1
222.14899	2.2
261.06491	0.5
273.06494	1.3
288.07712	1.1
289.05975	3.3
304.10599	0.5
316.07120	100.0
317.07413	7.5
351.21848	0.4
358.08130	1.5
358.23431	0.6
361.25690	0.5
376.09201	25.4
376.24973	4.4
377.09476	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	376.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03937	1.0
53.71762	0.2
55.01858	0.4
57.07066	0.2
63.43747	0.2
65.03941	0.2
67.05493	0.2
68.49402	0.2
69.07045	0.3
77.03913	0.8
79.01843	0.5
79.05485	2.5
81.07034	1.2
81.36321	0.2
90.58719	0.2
91.05463	0.3
92.02598	1.4
94.04168	1.6
95.04952	4.6
97.06506	0.3
105.03382	0.5
105.04497	2.2
106.56376	0.2
107.01261	1.0
107.04916	0.7
109.06496	3.7
122.03626	6.2
122.04523	0.3
124.07522	0.4
125.05971	4.6
135.04486	0.4
135.05508	3.7
136.07562	1.5
137.05956	0.3
150.03087	0.6
153.01794	0.3
165.05449	100.0
166.05768	3.3
168.04150	4.3
168.05576	0.2
194.59752	0.2
204.13882	0.2
206.04465	0.3
219.64137	0.2
222.14883	1.7
270.07672	0.2
314.06561	1.3
316.07468	0.2
329.09085	0.9
344.11234	5.9
345.11459	0.3
348.82196	0.2
363.57547	0.2
376.11285	0.2
376.25076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.248
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
56.05030	0.5
56.96552	1.1
58.06591	5.8
66.43277	0.3
66.56096	0.2
67.05495	0.4
69.55396	0.6
70.64758	0.2
72.08172	0.6
74.06060	2.7
79.05487	0.7
81.07037	0.8
81.89724	0.3
86.09707	0.3
88.07625	3.0
91.05451	0.8
93.07024	0.6
95.08590	0.5
98.09674	0.7
98.97567	0.8
100.07607	0.3
105.07026	0.7
109.06465	0.3
114.09151	0.4
117.07027	0.3
119.08602	0.5
126.09177	0.3
129.06987	0.5
131.08566	0.6
133.06415	0.3
138.09221	0.3
141.06967	0.4
143.08549	0.5
151.09891	0.3
155.08534	0.6
167.08485	0.4
169.10202	0.6
177.00635	0.3
180.10252	0.3
181.10132	0.4
183.11710	0.5
195.11620	0.5
197.13255	0.3
199.11177	0.3
209.13249	0.3
211.14957	0.3
214.95407	0.8
232.96432	0.8
235.14870	0.3
240.13828	0.3
250.97443	0.3
270.18579	0.3
273.17172	0.2
274.97101	0.3
282.18347	1.4
286.97729	0.3
297.06567	0.7
300.19537	3.5
301.20193	0.5
314.20908	0.3
316.19077	2.7
317.19476	0.4
322.21564	0.4
340.18982	0.3
340.22714	3.0
358.20001	0.4
358.23730	7.4
359.24023	0.6
376.14664	2.1
376.24774	100.0
377.12845	0.3
377.17877	0.4
377.25110	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	376.2477
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
56.05032	1.5
58.06593	7.9
59.06928	0.2
62.00428	0.1
67.05485	0.6
69.17844	0.8
72.08141	1.6
79.05471	1.1
81.07042	0.8
82.06563	0.4
84.08139	1.0
88.76244	0.2
89.87418	0.2
91.05466	0.9
93.07005	1.1
95.08581	0.8
96.08132	0.2
98.09685	2.3
98.22691	0.3
102.56275	0.1
105.07013	1.5
107.08550	0.8
108.08121	0.2
110.09675	1.8
112.11230	0.3
117.07005	0.5
119.08541	1.2
119.42485	0.2
121.06486	0.3
121.10128	0.7
122.09646	0.9
124.11204	2.3
128.06187	0.2
129.07007	0.5
131.08533	1.1
133.06441	0.2
133.10115	0.6
135.11644	0.2
136.11235	0.2
137.05933	0.2
141.07002	0.3
142.07635	0.2
143.08574	0.8
145.10104	1.2
147.08060	0.2
147.11653	0.3
151.07524	0.2
155.08513	0.6
157.10127	0.7
159.11665	0.6
167.08479	0.3
169.10071	0.9
171.11679	0.8
173.13255	0.2
181.10133	0.4
183.11676	0.7
185.13286	0.5
187.11102	0.2
195.11667	0.4
197.13225	0.4
201.16415	0.6
207.11778	0.2
209.13266	0.4
211.14819	0.7
213.63197	0.2
214.17999	0.2
223.14772	0.3
229.15871	0.6
229.29927	0.1
237.16342	0.3
239.17767	0.2
249.16231	0.3
251.15100	0.2
251.17857	0.4
257.15268	0.3
275.16467	0.2
283.16852	0.3
285.54282	0.2
295.16946	0.2
297.18451	0.5
311.19989	0.2
312.19757	0.3
330.20502	1.1
340.22662	3.6
341.22986	0.4
344.25919	0.2
358.23688	26.1
359.23969	2.3
376.24731	100.0
377.25067	8.5
377.30029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	31.5
56.24677	11.4
58.06593	40.9
60.61781	11.1
67.05495	100.0
69.07089	16.0
69.71591	46.4
71.04980	65.8
71.08649	18.4
79.05479	23.9
81.07054	63.3
83.08619	41.4
91.05473	19.3
93.07050	40.1
95.08598	22.0
97.06516	15.8
97.10174	24.6
98.22674	15.1
105.07056	14.8
107.08620	14.7
109.10117	73.5
118.99841	12.6
125.09649	18.4
135.08061	16.1
135.11671	16.2
137.09581	13.3
149.13289	14.0
155.10594	25.4
155.14264	15.7
173.11685	91.3
177.12756	17.4
187.13306	53.4
203.12822	30.0
241.17888	25.1
277.21643	18.7
334.19241	32.0
353.16049	95.1
364.33969	14.4
376.11267	26.9
376.25165	69.0
377.23260	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	377.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99437	1.2
55.89761	1.4
58.06593	10.6
58.99849	4.0
59.06926	1.4
63.18711	1.2
69.18699	8.0
70.06570	1.4
77.00883	1.9
82.99845	5.3
85.02892	1.5
88.41310	1.2
98.97563	3.0
101.00862	50.7
102.00953	1.7
112.21829	1.2
113.00842	15.7
119.01898	64.9
120.01996	1.7
131.01878	50.6
132.01965	2.2
137.02946	4.5
143.01862	15.4
143.46538	1.3
145.03427	6.1
149.02953	5.8
153.04010	1.3
155.01862	19.6
157.03494	2.5
161.02954	17.7
163.04539	2.1
167.01903	4.7
169.03450	2.7
171.05042	2.6
173.02936	27.4
174.03033	1.8
185.02921	35.4
186.03207	1.4
187.04474	4.2
189.02463	2.4
191.03979	1.3
195.01306	2.3
197.02908	8.8
203.03995	7.5
206.07700	1.4
207.82246	1.3
213.02409	47.3
215.00404	2.3
215.04012	2.1
221.05055	9.0
225.02403	12.2
231.03455	42.0
232.03616	2.5
233.01262	1.6
239.00359	12.9
239.06053	4.5
243.03523	10.9
251.00372	5.6
257.01373	80.6
258.01608	5.8
269.01349	14.5
275.02420	100.0
276.02704	8.5
285.04648	1.7
287.02432	32.5
288.02539	1.6
299.02539	2.2
305.03464	7.3
315.05457	2.1
317.03366	7.7
358.23795	2.1
359.04443	7.8
359.24075	2.7
376.20657	1.2
376.24774	27.0
377.05304	12.9
377.14297	15.8
377.25119	12.9
378.22287	1.9
378.26617	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	377.1452
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03915	2.0
57.03429	7.9
58.06595	3.8
59.04968	0.6
61.02919	3.8
63.71111	0.6
69.03422	13.8
71.01352	2.4
71.04985	3.8
71.44037	0.6
72.08101	0.9
73.02908	2.6
75.04445	1.9
81.03403	3.9
87.04447	0.6
91.05475	0.9
96.27919	0.6
98.09627	1.1
99.04441	5.8
110.09648	0.7
117.05455	0.6
124.11224	0.7
129.06915	0.6
130.06464	0.5
131.08514	0.7
137.05885	0.7
145.07619	2.8
157.06287	0.7
159.09097	0.6
169.10071	0.6
170.07097	1.6
172.08682	33.8
173.09001	1.2
186.10205	0.9
190.09662	1.7
190.80003	0.6
198.06598	8.5
198.09834	0.5
200.08151	4.8
214.09636	1.0
214.13916	0.5
216.07649	18.8
217.07889	0.8
229.53316	0.5
243.08740	71.0
244.08992	2.2
250.46602	0.7
316.12601	0.6
341.22977	0.7
358.23743	4.9
359.13470	4.3
359.24039	6.2
360.25183	1.7
376.20895	0.4
376.24719	14.6
377.14517	100.0
377.24985	22.0
378.14865	7.4
378.26370	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	377.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63121	1.0
55.05500	5.3
57.07067	97.5
58.07374	1.1
66.63371	0.9
67.05489	1.7
69.07049	6.2
70.06591	1.1
71.08620	81.6
72.08951	1.2
72.68507	1.0
81.07023	3.0
83.08596	3.5
85.10170	50.2
86.10463	1.1
87.04454	1.6
89.06017	100.0
90.06342	1.5
93.07037	1.6
95.04887	1.3
95.08556	1.1
97.10159	1.4
97.79739	1.0
98.23441	2.2
99.11712	7.0
107.07040	7.6
111.11697	1.4
113.13264	4.8
115.08656	4.3
119.89505	1.1
127.14809	3.4
130.08640	2.2
131.57271	1.0
133.08588	43.9
134.08894	1.2
145.09956	1.4
151.09601	6.9
173.35818	1.2
177.11208	7.8
184.69414	1.1
195.12250	40.5
196.12608	1.2
244.68735	1.0
377.25726	2.0
377.32608	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	378.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
57.03408	0.5
61.15932	0.4
67.05483	0.9
69.62534	0.5
69.62872	1.9
69.86384	0.6
70.06547	0.5
79.05482	0.8
80.64291	0.4
81.07031	0.6
91.05471	1.5
93.07012	0.7
95.08598	0.5
97.10112	0.6
104.05000	0.5
105.03386	0.5
115.23432	0.5
116.04953	1.2
117.05763	0.5
120.04433	2.2
128.04926	1.5
129.04442	1.5
130.03998	0.8
131.05965	0.6
132.04442	6.2
133.02831	2.3
134.05995	1.6
138.05544	0.6
141.40749	0.5
144.04434	1.1
145.05188	2.0
146.05974	1.6
147.05536	1.5
155.06104	0.5
156.04448	0.6
160.03859	0.6
160.07588	0.6
165.05447	1.4
170.04738	1.2
171.05537	1.5
172.03911	52.6
173.04355	2.2
174.05513	0.8
187.04990	2.7
189.11145	1.0
190.04950	1.4
199.04999	2.2
199.32422	0.6
201.06523	0.6
214.06297	0.5
232.05969	1.5
272.08191	0.6
300.07626	8.3
301.08395	35.9
302.05719	0.5
302.08633	2.7
318.08652	1.9
332.10159	0.8
337.16296	0.5
360.09723	100.0
361.10065	7.4
377.24826	0.5
378.10349	1.4
378.16528	0.6
378.26575	1.0
378.31848	1.1
379.20889	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	378.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
63.56778	0.4
65.03924	1.5
68.02632	0.5
70.27326	0.3
72.25373	0.4
73.80375	0.3
83.01328	0.8
93.03378	0.5
94.27634	0.3
96.02097	2.1
107.66152	0.4
110.91671	0.3
111.04419	3.2
116.11696	0.4
121.02867	2.0
124.01569	5.8
125.05947	1.1
149.02315	0.7
152.01031	7.7
152.07024	3.6
167.03374	100.0
168.03703	2.8
170.02078	31.9
171.02475	0.8
180.06528	18.4
181.04958	1.6
181.06961	0.5
212.09172	2.5
230.07999	0.4
248.05377	0.3
266.06610	0.6
286.07101	1.2
290.15332	0.5
302.92029	0.3
314.06638	0.4
318.14850	0.7
331.06793	0.4
336.15710	0.4
346.09097	3.2
378.17010	1.7
378.24802	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	378.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82380	0.5
55.70860	0.5
56.05030	1.3
56.96569	1.2
58.06593	13.3
65.03833	0.5
67.05507	1.3
69.28947	2.8
70.06584	0.9
72.08151	1.7
79.05495	1.6
81.07051	1.6
82.06565	0.6
84.08132	1.0
85.02905	1.0
91.05466	1.5
93.07045	1.6
95.04953	2.5
95.08618	0.8
98.09696	1.0
98.97595	2.2
105.07011	2.7
107.08572	1.4
109.06523	0.7
110.09712	1.0
110.97564	1.2
116.98615	0.7
117.07025	1.1
119.08533	1.4
121.06480	1.0
121.10085	0.6
122.09685	0.6
123.04441	1.0
124.11171	0.9
125.02369	0.6
128.98578	0.8
129.07040	0.9
131.08574	1.9
134.99724	0.6
140.04655	5.9
140.81856	0.6
141.06985	0.7
143.08533	2.4
145.10132	0.9
146.99574	0.6
147.08163	0.5
147.11774	0.8
153.54207	0.5
155.07010	2.3
155.08528	2.0
157.10115	1.4
159.08005	0.7
159.11769	0.6
169.10115	2.2
171.07979	1.1
173.08141	0.6
173.09602	0.7
173.13263	0.6
181.05072	0.7
181.10019	0.8
183.11726	1.6
193.10199	1.0
197.13242	0.7
199.05994	4.3
211.14850	1.3
218.91826	0.5
219.01788	1.6
221.42825	0.6
223.14771	0.7
225.16258	0.8
235.14806	2.1
237.02826	2.1
239.14375	0.6
253.15730	2.9
265.15875	0.8
285.18643	0.5
292.72726	0.5
295.06958	0.7
318.09302	0.9
319.06952	1.1
319.10538	1.3
336.10428	0.8
337.11530	1.1
342.20782	0.6
342.24286	2.5
359.24051	1.0
360.25290	51.0
361.25610	2.0
377.25171	5.9
378.14484	4.3
378.22504	16.0
378.26340	100.0
379.12878	0.6
379.22986	0.9
379.26816	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	378.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	1.4
56.96564	0.8
58.06594	8.9
62.00066	0.5
67.05498	1.8
69.36813	2.8
70.06571	1.5
72.08132	0.9
79.05479	5.7
81.07037	2.8
82.06568	2.5
83.04974	0.9
84.08136	1.2
86.86266	0.5
91.05463	3.7
93.07026	3.3
94.06548	2.1
95.04937	2.9
95.08591	1.8
96.08104	1.2
97.06491	0.6
98.09695	1.2
98.22752	1.2
105.07009	6.0
107.04924	1.1
107.08557	2.0
109.06490	1.8
110.09665	1.0
117.07016	2.0
119.08562	1.7
121.06507	2.7
121.10099	0.8
123.08025	1.1
128.06134	0.5
129.06984	2.4
131.08525	5.2
133.10085	2.1
135.08002	0.5
141.06944	1.8
142.07755	0.6
143.08575	4.1
145.06496	0.6
145.10063	4.3
147.07971	1.0
147.11627	1.2
149.09586	0.6
155.08516	4.8
157.10106	3.4
159.08057	1.5
159.11647	1.5
161.09572	0.9
162.12740	1.2
165.07001	0.6
167.08504	1.0
169.10106	3.5
171.08012	2.0
171.11668	1.9
173.09590	2.1
175.11206	0.8
176.63269	0.5
179.08405	1.0
181.10092	2.2
183.11659	1.7
185.09570	1.0
187.11089	1.0
191.05742	0.5
193.10039	3.2
194.10909	0.8
195.11662	1.9
197.09560	0.8
197.13240	1.7
199.11055	0.8
199.14659	0.5
207.11647	2.2
209.13168	2.6
211.11244	0.7
211.14778	2.1
221.13318	0.9
223.14746	1.9
225.12784	1.2
225.16359	2.4
235.14813	5.8
237.16438	0.6
239.14345	1.2
251.14149	0.6
253.15807	9.2
254.15907	0.8
265.15857	2.2
271.16815	1.2
282.18604	3.2
283.16803	0.9
300.19437	8.3
313.17746	0.5
319.10474	0.6
325.17828	0.6
332.22360	0.7
342.20560	4.6
342.24203	1.4
360.21481	13.3
360.25278	19.4
361.22009	1.6
361.25974	0.7
378.22571	100.0
378.26440	56.4
379.22693	7.7
379.27155	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	378.227
Annotation	Isariotin E
Peak:m/z	Relative Intensity
56.05019	1.6
58.06591	4.9
61.68457	0.4
62.69050	0.4
67.05499	1.1
70.06580	2.0
72.08138	1.0
74.91689	0.4
77.86347	0.5
79.05486	2.1
81.07050	1.9
82.06569	5.4
83.04974	1.0
84.08136	1.2
84.10062	0.4
91.05482	2.0
93.07040	1.7
94.06558	3.5
95.04939	2.5
95.08626	1.3
96.08141	3.6
98.09684	1.1
98.61758	0.4
105.07025	3.5
107.04969	1.4
107.08595	1.0
109.06497	3.1
110.09675	1.0
117.07004	1.0
119.08594	1.7
121.06489	1.3
129.07021	1.0
131.08536	2.8
133.06500	0.6
133.10141	1.6
137.05975	1.0
141.06978	0.7
143.08557	3.1
145.10117	2.8
147.08043	0.7
147.11665	1.2
155.08499	2.9
157.10112	2.4
159.08098	0.7
159.11700	1.3
162.12787	1.4
164.14354	1.0
167.08498	1.1
169.10107	2.6
171.08092	0.8
171.11703	1.3
173.09654	0.6
174.12819	1.2
179.08498	0.8
181.10120	1.5
183.11685	2.2
185.09492	0.8
185.13214	0.6
187.11171	0.6
190.12259	0.6
192.09416	0.5
193.10143	1.9
195.11705	1.7
197.13271	1.0
197.24721	0.6
207.11641	2.2
209.13292	1.7
211.14790	1.5
218.10854	0.6
219.11714	0.8
221.13136	1.1
223.14725	1.0
225.12759	1.0
233.13200	0.6
235.14806	2.0
237.16391	1.4
253.15752	2.6
264.17517	0.8
265.15863	1.8
271.17010	0.6
282.18506	6.4
300.19534	17.2
301.19931	1.3
313.18060	0.6
342.20596	8.8
342.24207	1.0
343.20944	0.9
360.21619	28.0
360.25391	10.0
361.21805	2.7
361.25824	0.6
378.22659	100.0
378.26505	38.6
379.22769	10.4
379.27634	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30091	0.3
56.05011	0.7
58.06594	6.5
61.02929	0.5
63.54458	0.2
67.05501	0.3
67.97498	0.3
69.29343	0.9
71.04964	0.3
72.08150	2.0
72.94418	0.2
79.05469	0.7
81.07056	0.5
84.08109	0.8
91.05473	1.0
93.07033	0.6
95.04954	0.3
95.08587	0.7
98.09689	2.5
103.03905	0.4
105.07013	0.7
107.04896	0.4
107.08574	0.5
109.06476	0.4
109.10091	0.4
110.09658	1.2
113.36322	0.2
117.06996	0.4
119.08590	0.4
121.68346	0.2
122.09647	0.4
124.11215	1.5
126.12802	0.2
129.06950	0.5
131.08557	1.0
133.10123	0.6
137.05977	0.6
143.08548	1.1
145.06303	0.3
145.10092	1.1
155.08571	0.6
157.10103	0.9
159.11673	0.5
169.10176	0.4
171.11649	0.3
181.10081	0.5
183.11699	0.4
185.13240	0.5
190.15697	0.3
193.10205	0.3
197.13330	0.5
199.14787	0.7
209.13139	0.4
227.14224	0.8
237.16289	0.4
259.16760	0.3
300.23227	0.3
310.21585	0.6
328.22614	1.8
329.23297	0.3
332.22202	0.6
342.24136	2.1
360.25284	26.5
361.25653	2.3
378.26331	100.0
379.26678	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	378.2633
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
51.13203	0.3
56.05024	0.8
58.06595	7.5
60.19979	0.3
67.05483	0.4
70.06592	0.5
70.57718	0.6
72.08150	1.3
73.33051	0.3
79.05499	0.9
81.07067	0.6
82.06557	0.6
82.57005	0.3
83.01933	0.3
84.08117	0.5
91.05481	1.4
93.07039	0.9
98.09698	2.0
98.10237	0.3
105.07017	1.7
107.08596	1.0
109.06458	0.4
110.09665	1.0
117.07001	0.5
121.10213	0.3
124.11230	1.2
131.08553	1.1
133.10127	0.7
135.08017	0.5
136.75066	0.4
143.08609	0.8
145.10101	0.6
155.08591	0.7
157.10147	0.7
169.10153	0.7
171.11749	0.5
173.13226	0.4
181.10072	0.4
183.11629	0.7
300.19510	0.9
324.23111	0.9
332.22134	0.6
342.20462	0.6
342.24109	1.8
360.25305	22.5
361.25696	1.7
378.26364	100.0
379.26678	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	378.2637
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
56.05005	0.2
58.06596	7.5
60.65845	0.2
70.06537	0.2
72.08152	1.7
74.06051	0.2
81.07036	0.4
84.08126	0.3
91.05438	0.2
93.07005	0.3
95.08587	0.3
98.09679	3.3
98.23499	0.4
105.06981	0.3
107.08498	0.2
116.95557	0.2
117.06973	0.4
129.06961	0.3
129.51212	0.2
130.01093	0.2
131.08487	0.5
143.08473	0.4
145.10072	0.4
155.08467	0.3
157.10074	0.3
159.11644	0.3
159.29909	0.2
169.10112	0.5
171.11528	0.3
193.10141	0.2
197.13248	0.3
210.59048	0.2
216.19601	0.2
292.19028	0.2
296.09753	0.2
296.23566	0.5
300.19601	0.2
312.23141	0.6
314.24667	0.4
324.23016	0.6
330.24234	0.2
342.24231	4.4
343.24500	0.5
346.23645	0.4
360.16049	0.5
360.25272	77.6
361.25610	6.1
378.26324	100.0
379.26685	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	378.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63424	0.2
56.05017	0.3
58.06595	34.0
59.06914	0.4
60.94757	0.2
69.33311	0.9
72.08156	0.8
80.10945	0.2
85.02903	0.2
87.65882	0.2
93.07042	0.4
95.08588	0.3
98.09697	0.7
105.07030	0.3
107.08589	0.4
117.07005	0.3
129.00212	0.2
131.08571	0.3
145.10101	0.4
157.10039	0.3
160.46680	0.2
169.10167	0.3
183.11745	0.3
214.45100	0.2
239.17953	0.2
324.23148	0.2
332.22205	1.2
342.24249	0.4
360.25262	6.1
361.25677	0.8
378.26346	100.0
379.26718	8.2
403.37766	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2634
Annotation	Cochlearenine
Peak:m/z	Relative Intensity
52.10623	0.2
55.05499	0.6
56.05023	0.5
58.06592	27.3
59.06920	0.4
62.06074	0.3
66.83579	0.2
67.05495	0.7
69.03431	0.6
69.20579	0.7
69.20980	0.4
70.06580	0.3
71.04971	0.2
72.08145	0.6
73.02895	0.2
73.06552	1.3
74.06063	1.6
79.05473	0.6
79.18499	0.3
81.03407	0.7
81.07045	0.8
83.04922	0.2
85.02885	1.1
88.07618	4.6
91.05463	1.1
93.07023	0.8
95.08608	0.6
97.02900	1.2
98.22666	0.4
99.04468	0.5
101.06013	1.1
103.03932	0.5
105.07012	0.5
109.02853	0.4
112.07587	0.3
114.09132	0.4
117.06984	0.7
119.08590	0.4
127.03902	0.9
129.06990	0.8
131.08560	0.8
133.10130	0.3
137.05925	0.5
141.06979	0.5
143.08540	0.8
145.04945	0.3
145.10077	0.5
155.08505	0.6
157.10083	0.7
163.07492	0.7
167.08546	0.2
169.10097	0.4
171.11673	0.6
173.13336	0.4
181.10175	0.2
183.11714	0.7
185.13162	0.4
193.10139	0.5
197.13239	0.3
199.09651	0.5
199.14771	0.3
201.05521	0.7
211.14838	0.9
223.14810	0.4
225.16367	0.6
227.06952	0.3
253.19566	0.6
263.17899	0.2
271.20596	0.4
281.18964	0.7
304.19550	0.2
315.08563	0.3
317.20914	0.3
318.20532	2.7
318.23709	0.3
326.33441	0.2
342.24060	0.5
360.14334	6.6
360.18478	0.5
360.25336	3.5
361.14670	0.4
361.25882	0.3
378.26318	100.0
379.26642	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	379.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01836	1.5
55.05259	1.8
55.05508	20.0
57.03420	2.9
58.06597	16.8
59.06911	3.1
60.04513	1.7
63.93739	1.4
67.05490	1.6
69.03420	17.8
70.04901	4.0
70.06590	2.0
71.04973	5.7
72.08149	2.5
73.02859	1.9
73.06550	38.2
79.05483	1.4
81.03406	18.2
81.07043	2.6
82.36334	1.3
84.08147	2.7
85.02896	45.9
93.07040	2.6
97.02884	35.6
97.03485	2.7
98.09677	2.7
99.04445	19.1
101.02378	2.0
101.06008	35.8
101.84668	1.3
103.03932	22.0
105.68289	1.4
109.02861	15.0
110.09687	1.6
115.07555	2.7
119.08615	1.5
127.03902	45.6
134.61841	1.5
135.08070	1.4
141.09167	1.6
141.11266	1.4
145.04945	6.4
145.51700	1.7
157.08600	4.5
165.09186	1.6
169.08626	3.1
181.08557	3.6
187.05981	5.3
199.09641	9.5
209.79068	1.4
217.10742	4.0
246.43254	1.4
259.11777	8.5
298.31314	1.7
345.03659	1.7
360.25247	6.3
361.25656	18.3
378.26352	27.9
379.26743	100.0
380.24078	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.5
55.01860	3.7
55.05505	27.9
57.03423	7.0
58.06593	18.2
58.77082	1.5
59.06933	2.1
59.14531	1.7
61.02939	1.4
67.05486	2.1
69.03418	28.7
71.04992	8.9
73.02927	1.8
73.06544	62.0
74.06072	1.9
81.03403	25.4
83.04968	3.5
85.02891	61.1
88.07605	5.7
91.05483	1.7
93.07037	1.9
97.02876	64.5
99.04433	35.4
100.04763	1.8
101.06004	55.8
103.03919	39.0
109.02863	22.1
109.10149	1.4
111.04380	1.8
115.07595	4.7
126.09175	1.4
127.03896	76.1
129.05486	1.6
131.07066	1.5
137.05916	2.3
141.09032	2.0
145.04904	12.4
153.09077	1.6
157.08598	6.5
164.66539	1.5
168.08963	1.4
169.08586	5.9
169.50566	1.7
177.05511	2.1
181.08563	5.6
183.10159	2.1
187.05969	4.5
199.09593	12.4
212.99327	1.5
217.10716	5.6
253.07152	1.7
259.11740	15.4
271.08090	1.9
301.19696	1.7
319.20615	1.9
360.25290	2.8
361.14746	4.8
361.25626	5.9
378.26318	28.3
379.26666	100.0
380.26895	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	379.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06580	0.8
59.42125	0.7
69.71885	0.7
75.33736	0.8
81.07007	1.4
95.04984	0.8
111.30315	0.7
116.98586	0.8
119.08582	0.9
125.87983	0.8
139.36000	0.8
205.08337	0.9
209.11595	1.0
225.97917	0.9
288.80145	0.8
309.16656	0.9
341.85895	1.0
371.46582	0.8
379.24500	100.0
380.25061	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	379.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95181	0.8
68.53871	0.8
73.96804	0.7
74.13728	0.7
79.05501	1.0
79.55615	0.9
81.07054	1.9
83.04948	0.8
93.07028	0.8
95.08606	1.2
105.07016	1.3
107.08569	1.0
156.44702	0.9
166.05885	1.0
181.08557	0.9
199.71811	0.9
209.11389	1.1
214.13857	0.9
220.99170	0.9
246.67836	0.8
324.04263	0.9
370.34552	0.9
379.19809	3.4
379.24475	100.0
380.24738	7.4
395.31009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2065
Annotation	Pulchellamine E
Peak:m/z	Relative Intensity
53.54453	0.4
56.05025	0.9
56.96554	0.6
58.06598	5.8
58.71407	0.5
59.06935	0.9
59.12986	0.4
61.64527	0.4
67.05488	0.9
69.03422	1.0
70.06589	1.7
70.88215	0.5
72.08142	0.6
76.84596	0.4
79.05503	1.0
81.07049	1.5
82.06582	0.5
84.08140	0.8
85.02911	0.6
86.53659	0.4
91.05450	2.2
93.07053	1.4
94.06532	0.7
95.08623	0.7
96.08134	0.6
97.02888	0.5
97.69825	0.4
98.06004	0.4
98.97563	0.9
105.07030	1.8
107.04935	1.0
108.08123	0.6
110.09655	0.7
116.98601	0.8
117.07006	0.6
119.04933	0.9
119.08561	0.7
120.08152	0.8
121.06573	0.6
121.10160	0.7
122.09703	0.9
123.04405	0.6
124.11226	0.5
129.06982	1.5
131.08574	1.1
133.06470	0.8
133.10199	0.5
135.07950	0.7
136.07536	0.9
137.05946	1.0
141.06950	0.9
143.08536	1.6
145.06456	0.7
145.10123	1.2
155.08562	1.3
157.10103	1.3
161.05957	0.5
162.09096	0.8
162.12802	0.5
163.03899	0.9
166.07634	0.7
167.08586	1.6
169.10117	1.3
171.11736	0.7
173.09604	0.7
179.08534	1.2
181.10094	1.9
183.06549	0.7
183.11636	0.7
185.09575	0.6
195.05070	0.5
195.11743	1.2
197.13213	0.7
200.07019	0.9
201.07336	0.4
207.11732	1.2
209.13258	1.5
211.14902	0.5
213.09105	0.5
218.08118	5.2
223.14822	1.0
225.12706	0.6
235.11078	0.6
237.12672	0.6
241.12271	0.5
249.12801	0.6
251.14241	0.6
252.13853	0.6
253.11949	0.5
269.15546	0.6
270.14893	0.8
279.13950	0.5
280.16971	0.5
283.16812	0.9
288.15686	0.6
298.18039	1.5
308.16232	1.0
314.17493	1.2
316.19168	1.7
326.17410	1.2
326.21219	0.7
332.18512	12.9
333.18753	1.2
334.20120	1.0
344.18475	4.4
344.22235	2.1
357.35016	0.5
362.19516	63.8
362.23181	5.5
363.19888	5.5
363.23904	0.7
380.12897	2.8
380.20364	100.0
380.24493	24.1
381.20908	7.3
381.24811	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.5
56.96568	1.8
58.06598	6.5
67.05502	0.4
69.03417	0.2
70.06579	0.5
71.43916	0.2
72.08140	0.9
74.06071	1.9
79.05483	0.6
81.07045	0.4
82.06563	0.5
84.08142	1.6
86.09683	0.2
91.05473	1.0
93.07028	0.3
96.08102	0.4
97.02891	0.3
98.09698	1.3
98.97570	3.8
105.07021	0.8
107.04948	3.0
107.08608	0.4
108.08121	0.4
110.09657	2.0
110.97581	0.8
112.99162	0.3
116.98594	2.0
117.07020	0.3
119.08541	0.5
121.02922	0.2
121.06487	0.3
122.09646	1.8
124.11206	1.6
125.11987	0.3
125.93993	0.2
126.12870	0.3
128.06209	0.3
128.98587	0.9
129.06984	0.6
131.00250	0.2
131.08563	0.9
133.01683	0.3
133.10104	0.5
134.99673	0.5
137.05934	0.5
141.00627	0.3
143.00119	0.4
143.08548	0.7
145.06456	0.2
145.10133	0.6
146.99666	0.8
147.11681	0.4
155.08542	0.6
157.01694	0.4
157.10144	0.7
158.99640	0.6
165.07030	0.3
167.08624	0.4
169.10095	0.6
170.99776	0.4
171.11685	0.5
172.94325	0.5
173.09587	0.3
175.02757	0.4
176.14362	0.3
177.00700	0.6
177.04398	0.4
179.08510	0.2
181.10133	0.3
183.11719	0.4
189.00732	0.4
190.95407	0.4
195.05530	0.3
195.11678	0.6
197.13293	0.3
199.11336	0.3
201.00671	0.4
201.88649	0.2
207.11736	0.3
209.13275	0.6
211.11104	0.3
215.16833	0.3
218.04298	0.4
219.01758	1.1
221.13170	0.4
232.96472	0.7
234.10805	0.3
237.02792	2.1
238.03175	0.6
243.13730	0.3
250.67491	0.3
261.02777	0.3
263.04471	0.3
274.97443	0.7
289.96851	0.3
292.98456	0.5
309.08630	0.5
320.07315	0.5
320.12714	0.3
321.08505	0.9
326.21283	1.6
338.08606	0.4
339.09470	0.4
344.22214	4.8
345.22479	0.7
362.23236	21.3
363.23471	1.4
380.24307	100.0
381.07874	0.9
381.20026	0.6
381.24661	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	380.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
56.96553	2.1
57.71737	0.2
58.06590	5.6
67.05485	0.3
69.03437	0.2
70.06587	0.5
70.62286	0.5
71.04993	0.2
72.08138	1.0
74.06061	1.1
79.05495	0.6
81.07047	0.5
82.06581	0.4
84.08131	1.6
84.96046	0.2
85.02888	0.4
86.44176	0.2
91.05476	0.9
93.07018	0.5
96.08134	0.4
96.17770	0.2
96.45927	0.2
98.09678	1.1
98.97575	3.6
105.07025	0.8
107.04930	2.5
110.09653	1.7
110.97559	0.7
116.98595	1.9
117.06994	0.3
119.08545	0.5
120.08134	0.3
121.02880	0.3
121.06441	0.2
122.09666	1.8
124.11190	1.4
128.98621	0.9
129.06972	0.3
130.93262	0.3
131.08540	1.1
133.01660	0.3
133.10095	0.4
134.99599	0.6
137.05957	0.6
141.07048	0.3
143.08551	0.6
143.87560	0.2
145.10101	0.7
146.99669	0.6
147.07993	0.2
147.11659	0.4
155.08545	0.9
157.10117	0.7
158.99643	0.7
161.01146	0.3
163.03903	0.3
169.10017	0.3
171.11708	0.3
172.94334	0.4
173.09682	0.3
173.13272	0.3
175.02736	0.3
177.00714	0.6
177.04274	0.4
181.10135	0.4
183.11630	0.6
184.00357	0.3
185.09621	0.3
189.00752	0.3
190.15898	0.3
190.95454	0.3
193.09961	0.2
195.05325	0.4
195.11746	0.5
197.13239	0.2
201.00742	0.3
205.10123	0.3
207.11705	0.7
209.13274	0.4
214.95409	0.4
219.01682	1.3
221.02892	0.3
221.09749	0.2
223.14793	0.4
228.80377	0.2
232.96490	0.6
233.13335	0.3
236.95720	0.4
237.02730	1.9
238.03194	0.3
239.14307	0.2
250.97565	0.2
253.15727	0.3
256.96323	0.2
263.04315	0.3
274.97433	0.7
278.97000	0.3
292.98660	0.3
295.00101	0.2
308.19879	0.3
316.19193	0.3
316.22995	0.3
320.07217	0.5
320.12723	0.6
321.08542	0.9
321.12024	0.3
326.21078	1.8
338.08252	0.4
339.09491	0.8
344.18320	0.3
344.22186	5.3
345.22601	0.4
362.19751	1.2
362.23221	22.3
363.23550	1.6
380.24274	100.0
381.07675	0.5
381.19876	0.4
381.24591	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62276	19.5
124.13963	6.0
175.74397	5.4
186.86504	4.8
204.13931	5.4
258.08069	5.7
278.80627	5.9
284.03433	5.5
336.38968	6.5
381.07913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34594	1.7
69.62868	7.4
72.16264	1.7
75.33273	1.9
79.59663	1.9
98.23378	3.6
112.80716	2.0
129.82413	1.7
146.14038	1.7
195.65842	1.9
201.01590	3.7
219.02670	3.6
227.15120	1.9
261.62646	2.2
264.35718	1.8
381.07910	100.0
382.08188	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	381.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.2
55.01861	30.5
55.05505	72.8
56.05801	2.3
57.03431	29.3
59.05013	2.8
63.56961	2.1
65.03925	3.5
67.05150	4.7
67.05495	53.1
69.03413	11.2
69.07059	72.0
69.62019	4.2
71.04967	3.8
79.05481	73.3
81.03412	16.1
81.07047	100.0
83.04977	23.2
83.08620	27.0
85.02882	5.5
87.92410	2.1
91.05470	53.9
93.07035	47.2
95.04963	23.1
95.08595	23.4
97.02872	11.7
97.06512	12.2
97.10155	34.0
99.00797	8.5
99.04473	4.0
99.08096	5.9
103.05407	2.3
105.04509	2.4
105.07014	36.9
107.04941	21.1
107.08580	45.8
107.09256	4.2
108.55645	2.2
109.02876	12.7
109.06506	20.7
109.10139	14.6
111.04439	14.0
111.08063	7.9
113.06023	3.5
115.05447	4.1
117.06998	21.7
119.04960	4.0
119.08567	34.9
121.06438	16.1
121.10110	14.2
123.04424	12.2
123.08060	10.2
123.11683	3.6
125.09614	28.4
128.06226	3.2
129.06987	7.8
131.08549	13.7
133.06464	7.1
133.10118	30.1
135.04385	4.2
135.08034	36.4
135.11670	7.8
137.06018	3.6
137.09550	14.5
139.07533	8.7
143.08530	8.3
145.06458	8.9
145.10071	12.3
147.08032	10.3
147.11674	6.3
149.06007	2.7
149.09590	6.1
151.11192	9.5
153.09073	9.7
153.12750	6.7
155.08556	2.9
157.10139	6.8
159.08040	10.8
159.11696	2.6
161.09592	22.5
163.07523	20.1
163.11174	5.6
165.09143	4.0
170.91502	2.5
171.08066	2.8
171.10242	2.6
171.11708	2.9
173.09619	7.5
175.11134	4.3
177.09225	2.7
179.10606	12.2
181.12216	4.1
183.11705	2.7
185.13451	3.2
187.11266	4.5
189.09096	8.1
189.11212	19.6
189.12701	4.2
191.10667	6.7
193.12206	27.5
197.11572	2.5
211.13232	3.8
220.26692	2.3
221.11676	3.7
225.11186	4.5
243.17442	7.1
261.18481	10.6
271.16922	13.6
289.17923	42.0
307.19009	9.8
363.21481	6.6
381.11511	4.3
381.22653	70.2
382.23199	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	381.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27906	0.6
51.55209	0.6
55.01855	1.5
55.05499	4.9
57.03422	1.2
57.17500	0.8
58.06619	0.6
58.93119	0.7
59.04985	1.1
60.15277	0.7
61.39196	0.8
67.05488	4.5
69.07057	4.2
69.21192	0.7
71.04967	1.0
73.64355	0.8
79.05471	5.0
81.07040	7.2
83.04964	2.3
83.08611	2.5
91.05463	2.5
93.07029	4.4
95.04952	2.2
95.08567	4.8
97.06559	0.8
97.10118	1.9
98.40752	0.9
99.08066	1.0
105.06293	0.7
105.07008	3.4
107.04922	1.0
107.08569	3.1
109.06507	1.6
109.10138	1.9
114.13739	0.7
117.07043	1.3
119.08587	3.1
121.10136	2.5
131.08524	1.5
133.10112	2.0
135.08000	1.4
135.11693	2.1
137.09575	0.8
143.08575	0.9
145.10121	1.7
147.11667	1.2
159.08015	0.9
161.09535	0.9
163.11171	1.0
165.12740	1.5
177.12755	0.9
189.16359	0.7
209.11455	0.7
236.20715	1.0
247.48195	0.9
253.23558	1.2
289.17880	2.2
307.22748	0.8
319.41339	0.9
335.27859	0.9
363.27002	4.9
381.26068	100.0
382.12711	1.1
382.26468	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	381.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.7
55.01865	18.9
55.05252	6.1
55.05503	89.2
55.83001	3.1
56.40781	3.1
57.03424	32.7
65.03918	5.9
67.05156	6.6
67.05496	100.0
67.05856	5.4
69.03411	9.5
69.07060	44.2
69.34245	3.2
69.67502	3.0
71.04979	39.1
73.06546	10.0
76.49273	3.1
78.82602	2.9
79.05487	84.4
81.03401	12.7
81.07044	90.0
81.07497	6.3
83.04957	19.0
83.08604	71.5
84.08923	3.9
84.31626	3.4
85.06525	4.9
89.55777	3.2
91.05467	78.4
93.07034	94.5
94.07362	3.2
95.04956	95.3
95.08015	5.1
95.08592	68.9
97.06524	18.3
97.10149	15.5
99.04452	3.8
99.08055	4.3
102.90371	3.3
105.04491	6.1
105.07019	58.6
106.07384	4.6
107.04953	35.7
107.08578	46.7
109.06498	23.0
109.10132	33.7
111.08072	17.7
115.05451	4.6
117.06996	24.6
119.08569	53.3
121.06515	18.2
121.10136	35.0
123.04408	3.9
123.08093	20.8
123.11709	8.5
125.09612	24.9
129.06981	9.6
131.08554	34.3
133.06496	5.3
133.10117	43.6
134.10471	3.3
135.08028	14.4
135.11688	23.6
137.09589	9.7
139.11145	7.7
141.07014	5.7
143.08565	6.0
145.06444	8.6
145.10117	40.6
147.08025	6.3
147.11662	31.6
149.09607	53.5
151.11172	8.3
155.08499	5.9
157.10104	11.0
159.08052	5.1
159.11644	19.6
159.30139	3.3
161.09601	5.6
161.13268	5.9
163.11153	62.1
165.12691	10.4
169.10104	6.5
171.10239	3.6
171.11652	6.4
173.09705	5.1
173.13277	9.4
175.11177	7.7
177.12744	11.0
179.14276	6.0
183.11641	5.6
187.11154	8.6
187.14830	4.0
189.11205	9.1
189.12711	5.3
193.12294	5.8
197.13240	5.6
201.12700	5.2
205.12227	18.7
207.13939	5.4
213.16298	4.5
223.13304	8.3
229.19485	8.4
238.58028	3.5
239.17946	12.9
247.20544	8.7
257.18997	14.9
275.17059	4.4
275.20013	84.9
276.20404	6.8
289.70898	4.0
293.20908	8.3
307.22592	5.3
331.22906	3.3
349.23593	18.9
360.77899	3.7
381.22168	6.0
381.26480	51.8
382.26642	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	382.1279
Annotation	Pontevedrine
Peak:m/z	Relative Intensity
69.07054	0.3
69.65148	0.7
76.90141	0.3
79.05425	0.3
98.14365	0.3
144.60468	0.3
161.92061	0.3
225.07796	0.6
236.07069	0.5
237.07700	0.6
247.08600	0.5
249.07687	0.6
250.08551	1.0
252.10150	0.7
253.07225	0.6
257.31876	0.3
262.08514	0.3
263.09119	0.4
264.06638	1.1
265.07291	5.3
266.07916	0.8
276.06674	0.5
277.07382	0.6
278.08057	3.9
279.05380	0.4
279.08545	0.4
280.06320	0.6
280.09650	2.5
281.06799	3.7
282.07220	0.5
290.07932	0.4
292.06012	0.6
292.09369	0.5
293.06830	3.9
293.09811	0.6
294.07556	2.8
295.08365	1.1
296.09149	1.4
306.07526	5.7
307.08206	1.2
308.05704	0.7
308.09082	12.4
309.06244	2.7
309.09576	0.9
310.06793	0.5
319.04645	0.4
320.08994	0.5
321.06183	0.9
321.09717	0.5
322.07050	1.7
322.10593	0.6
323.07684	0.9
323.11298	0.6
324.08530	5.2
325.09143	0.5
334.07019	7.0
335.07495	0.6
336.08591	75.3
336.42441	0.3
337.05176	0.5
337.08997	6.4
338.10165	4.6
339.10919	0.9
349.09503	0.4
350.06442	0.5
350.10309	1.0
352.08075	7.8
353.08676	0.6
366.09598	3.2
367.10358	3.4
382.12772	100.0
383.13092	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	382.1705
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.15206	2.4
57.07074	5.7
61.20914	2.5
67.05503	4.6
68.13547	2.7
69.07087	2.8
70.02937	2.9
70.17843	6.3
72.04508	9.1
73.02921	3.6
76.20869	2.6
85.02897	8.2
85.06519	3.9
86.81047	2.3
90.05544	69.0
93.98512	2.5
95.04981	4.3
97.02858	3.0
98.02429	5.6
98.97590	4.3
103.58090	2.3
110.97568	7.1
111.04475	3.0
116.03432	10.0
120.08101	4.9
124.07569	12.3
128.98601	8.4
142.08656	4.4
146.99611	4.4
179.80696	2.5
184.00374	4.5
184.09680	9.1
185.04187	14.6
185.08095	3.3
202.09042	2.5
202.10754	17.9
207.11412	2.4
220.11763	100.0
221.04196	8.5
221.12219	3.4
323.09662	4.5
364.20813	4.6
382.10831	4.7
382.15237	2.8
382.22046	22.5
383.09363	59.8
383.13513	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16534	2.7
56.96553	4.8
57.07081	4.0
59.04986	3.7
67.05495	3.5
69.07053	3.7
70.06593	2.9
71.44447	3.2
72.04504	11.5
84.08156	2.6
85.02882	8.6
85.06523	5.5
86.09716	4.6
90.05546	66.3
93.07005	2.8
95.04964	5.4
97.02884	3.7
98.02410	8.4
98.97570	4.6
101.00800	3.4
101.09541	2.7
103.07545	4.3
109.43438	2.8
110.97610	5.5
113.06031	2.8
116.03425	9.8
116.98537	3.2
119.01913	2.6
120.08086	3.3
121.06485	3.0
124.07576	11.0
127.03913	3.9
128.98607	7.1
134.08530	2.6
136.07558	3.0
142.08673	5.0
145.04842	3.4
156.07681	2.8
173.02879	3.0
175.46968	2.9
184.00407	6.6
184.09676	11.4
185.04199	11.0
185.08080	3.7
185.11711	4.2
193.26767	3.1
202.10666	22.4
207.11205	3.9
214.45744	2.6
220.11758	100.0
221.04158	10.8
221.12076	4.8
232.74791	2.8
275.14499	3.2
323.09631	9.9
364.20786	3.7
382.11313	4.4
382.22006	24.2
383.09415	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	9.5
59.16796	0.4
60.83536	0.4
70.26439	0.8
70.26770	0.6
71.95240	0.5
95.02023	0.4
98.22729	0.6
98.97575	100.0
99.97922	0.6
110.97581	0.5
116.98613	50.1
130.41365	0.5
134.99648	13.7
139.07501	0.4
140.00095	0.5
153.00691	1.2
158.01340	0.5
179.24142	0.4
216.98666	1.0
232.28400	0.4
234.99837	1.2
240.98599	5.2
241.00468	0.4
258.99741	64.4
259.99915	4.4
261.03149	0.9
274.97580	0.8
277.00790	82.4
278.00928	5.0
282.01328	0.5
292.98407	0.6
295.01794	1.1
300.02359	1.0
301.01053	0.5
302.94647	0.5
317.98846	0.5
336.93433	0.5
368.97318	0.5
382.99704	0.9
384.68008	0.5
401.01096	3.0
402.00830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.2
58.06567	2.4
69.03412	6.6
70.06574	2.7
73.02908	2.3
73.20450	2.0
79.87125	2.4
81.03389	5.9
85.02892	22.5
97.02887	5.8
99.04442	10.3
103.03912	24.7
109.02888	4.6
120.04414	2.3
127.03899	33.2
145.04927	14.9
147.04350	4.6
148.03874	14.9
156.20662	2.2
160.96094	2.3
163.06003	10.4
174.97577	2.2
194.04459	50.9
222.03932	100.0
289.88412	1.9
291.01880	2.4
364.06235	2.2
383.09311	8.4
383.17615	3.1
384.09192	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	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00780	0.7
53.03925	1.1
55.01859	6.2
55.05502	20.1
57.03432	7.1
57.07066	1.1
59.04998	1.4
65.03916	0.7
67.05153	1.3
67.05494	19.3
69.03400	2.1
69.07060	5.1
69.62002	2.8
71.04982	1.7
71.08620	16.5
79.05489	13.6
81.03408	4.6
81.07044	15.6
83.04974	6.1
83.08602	10.2
85.02890	2.3
85.06558	0.8
89.15659	0.7
91.05466	9.9
93.07027	13.0
95.04956	7.0
95.08591	9.8
97.02877	2.0
97.06515	3.6
97.10160	5.2
98.23365	1.6
99.00795	2.7
99.04445	1.0
99.08072	12.4
105.07015	10.7
107.04932	4.0
107.08578	8.5
109.02858	2.6
109.06511	1.8
109.10132	7.2
111.04407	3.0
111.08038	3.3
113.06004	0.8
117.06975	2.7
119.08549	6.5
121.06499	3.2
121.10096	3.7
123.04401	1.5
123.08028	4.2
125.09609	5.2
128.06215	1.0
129.06985	1.5
131.08521	3.4
133.06473	2.2
133.10109	9.4
135.07991	1.8
135.11638	2.8
137.09576	4.2
139.11163	1.6
143.08527	2.0
145.10100	3.8
147.08006	1.7
147.11684	1.9
149.09630	1.8
151.11136	3.4
153.09076	0.8
153.12784	3.6
155.10622	1.1
157.10110	2.1
159.11707	0.8
161.09576	4.4
163.11174	4.2
165.09091	3.2
165.12755	1.0
171.08018	1.1
171.10130	1.4
171.11661	1.3
173.09579	1.4
173.11751	0.9
175.11163	0.8
179.10635	2.4
181.12225	2.8
189.09103	2.1
189.11192	4.4
191.10728	0.7
193.12204	16.4
194.12521	0.8
197.11653	1.0
207.13760	1.0
209.11737	1.3
211.13300	1.9
223.13254	2.3
224.00815	0.7
225.11256	1.1
227.12703	4.0
232.84334	0.7
245.18953	2.8
263.20016	2.5
273.18469	4.7
281.21143	0.8
285.46027	0.7
291.19470	7.7
292.09647	0.7
309.20621	1.6
310.13931	1.0
319.68042	0.8
338.13763	0.9
341.15869	0.7
354.13171	2.1
365.22968	1.0
367.48007	0.7
368.14963	1.2
383.16391	11.1
383.24207	21.8
384.30759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.8
55.01855	20.5
55.05505	67.5
57.03437	26.6
60.77738	2.5
64.88011	2.5
65.03941	4.5
67.05495	75.6
69.03413	8.6
69.07059	38.5
71.04971	6.5
72.77563	2.2
79.05482	66.9
81.03408	20.5
81.07047	100.0
83.04971	32.2
83.08613	30.7
85.02892	8.1
91.05473	33.4
93.07034	50.4
95.04951	22.3
95.08603	35.1
97.06536	19.0
97.10149	53.2
98.10446	3.1
99.04421	4.5
99.08089	5.2
101.35429	2.4
103.02343	2.7
105.07018	26.8
107.04936	11.0
107.08575	37.2
109.06496	10.5
109.10160	21.6
111.04424	25.1
111.08064	14.9
117.07006	15.4
119.08557	29.1
121.06483	9.0
121.10131	22.4
121.14925	2.5
123.08049	54.5
125.05983	3.1
125.09618	44.6
129.06990	7.4
130.65172	2.4
131.08543	18.4
133.06468	4.1
133.10138	13.9
135.08017	11.3
135.11636	14.4
137.09560	12.3
143.08490	3.4
143.10611	4.3
145.10106	18.7
147.08061	9.7
147.11688	10.4
149.09599	8.2
149.13255	3.2
150.17270	2.4
153.09091	5.6
153.12720	10.6
157.10091	5.7
159.11653	4.5
161.09598	6.2
161.13188	3.5
163.11169	30.5
165.09079	11.0
169.08591	2.5
171.10088	4.0
171.11642	4.0
175.11154	8.4
177.12822	2.7
181.12164	17.8
189.11205	54.9
189.12831	5.4
191.10658	12.1
193.12207	13.8
216.64201	2.7
223.13394	5.6
227.12738	19.0
227.17815	4.4
245.19089	4.2
263.19962	3.2
273.18417	27.0
291.19504	63.1
294.12421	4.3
309.20551	4.7
338.42709	2.6
365.23071	12.2
366.23593	3.0
383.14685	3.8
383.24063	20.3
384.25180	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.01863	18.3
55.05503	57.5
57.03180	1.3
57.03433	20.2
57.07055	1.3
59.04993	3.3
65.03920	3.0
65.18925	1.2
67.05495	62.4
68.05823	1.9
69.03405	7.0
69.07059	30.4
71.04971	5.8
72.25214	1.1
73.02937	1.4
77.03914	1.7
79.05481	59.2
80.05829	1.8
81.03405	20.6
81.07046	100.0
82.07388	2.2
82.78406	1.4
83.04978	21.7
83.08614	28.3
84.48513	1.2
85.02894	6.2
85.06531	3.6
91.05469	29.3
93.07034	38.9
94.07330	1.7
95.04962	23.7
95.08594	30.5
97.02846	1.4
97.06517	11.6
97.10157	46.6
98.10447	1.5
99.04426	4.1
99.08087	4.9
105.03359	2.0
105.04495	2.7
105.07023	24.6
107.04936	8.5
107.08582	34.3
109.06507	7.4
109.10141	19.0
111.04431	26.0
111.08081	12.1
117.07008	11.8
119.08578	21.7
121.06512	7.5
121.10126	17.0
123.08051	45.4
123.11688	2.9
124.08396	1.8
125.05968	1.7
125.09618	51.4
126.09916	1.5
129.05492	1.5
129.06995	5.4
131.08563	12.6
133.06438	2.4
133.10115	8.6
135.08038	10.8
135.11661	15.0
137.09579	9.7
139.11157	2.8
142.07614	1.2
143.08549	5.8
143.10646	3.3
145.10098	16.3
147.08031	7.2
147.11662	9.8
149.09589	9.1
153.09087	7.5
153.12726	12.5
157.10118	4.2
159.08043	2.1
159.11665	5.4
161.09598	3.6
163.11157	25.0
165.09096	11.5
165.12708	1.7
171.10153	7.3
171.11594	2.4
173.09544	3.6
173.13322	1.6
175.11163	5.2
177.12666	1.7
181.12238	13.2
187.11118	1.6
189.09450	2.6
189.11194	51.9
189.12564	1.9
190.11540	1.9
191.10628	10.7
193.12236	10.5
205.12224	1.9
209.11681	2.9
211.13251	3.9
223.13274	6.3
227.12764	17.8
227.17845	3.3
245.13681	1.8
245.18958	3.8
249.14792	2.3
255.17407	5.4
263.20007	3.9
264.06613	2.0
269.56021	1.3
273.18414	26.7
279.05429	1.3
280.06070	1.8
282.07669	2.0
291.19501	65.4
292.19830	4.6
294.07663	2.9
296.09323	2.3
306.53238	1.3
308.05624	2.1
308.09109	2.4
309.06540	1.9
309.09882	8.9
309.20557	5.2
310.07007	5.0
316.56946	1.3
324.08658	8.0
325.09381	3.9
340.11771	11.3
347.21906	1.8
350.45306	1.6
365.23160	13.8
383.14896	1.7
383.24243	22.5
384.24585	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	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72507	1.5
53.03947	2.2
55.01867	21.1
55.05503	66.6
56.05834	1.8
57.03428	20.8
57.07082	1.8
59.04998	4.3
65.03920	3.5
67.05492	66.6
69.03413	6.8
69.07056	30.0
70.07396	1.6
70.74574	2.0
71.04986	4.5
77.03887	1.9
79.05485	63.2
79.05945	3.2
80.05816	1.4
81.03415	19.9
81.07046	100.0
82.07403	2.3
83.04968	24.7
83.08607	30.2
85.02888	7.2
85.06507	2.1
91.05460	29.9
91.05981	2.7
93.07027	44.3
95.04964	20.2
95.08592	34.9
97.06519	11.7
97.10154	46.2
99.04443	4.7
99.28429	1.8
105.04501	2.0
105.07015	25.9
107.04920	10.5
107.08577	35.9
109.06484	11.4
109.10148	20.1
111.04424	20.5
111.08067	13.6
115.05465	3.5
117.06985	14.2
119.04913	1.9
119.08582	23.0
121.06459	7.9
121.10127	16.7
123.04420	2.0
123.08046	47.2
123.11656	2.9
124.08365	2.6
125.05976	1.7
125.09618	47.5
128.06271	1.9
129.06982	5.1
131.08546	11.6
133.06483	1.7
133.10120	9.8
135.08020	11.0
135.11649	13.0
137.09593	9.1
139.11162	3.1
143.08554	6.4
143.10628	1.8
145.10121	14.3
147.08025	8.3
147.11687	6.2
149.09610	8.0
149.13206	3.1
153.09087	5.7
153.12717	8.7
155.08485	2.5
157.10086	8.6
159.11678	4.0
161.09575	4.1
162.28784	1.6
163.11179	26.5
165.09108	9.4
165.12721	2.6
165.99437	1.8
171.10167	3.1
171.11621	3.1
173.09604	3.3
173.13216	2.0
175.11143	4.0
181.12189	12.9
185.13179	2.2
189.11183	50.5
189.12794	3.6
191.10596	13.1
193.12198	6.2
209.11615	3.0
211.13232	2.7
221.11826	1.9
223.13228	4.2
227.12785	15.0
245.19083	2.2
249.14943	2.2
255.17436	2.2
263.19925	2.1
270.10358	1.7
273.18433	20.6
283.15311	2.1
291.19495	54.5
292.19812	5.2
309.20392	2.6
332.33511	1.5
336.34467	1.9
347.21948	1.7
350.01535	1.9
365.23169	8.1
383.23816	20.5
383.27063	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	383.2573
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.01859	7.9
55.05499	22.5
57.07062	9.8
59.04990	9.9
61.67975	3.6
65.07270	3.4
67.05492	34.8
69.03413	12.1
69.07046	11.1
70.67945	6.9
71.04983	5.4
79.05476	36.2
81.03429	3.5
81.07043	47.8
83.04943	7.1
83.08588	5.6
85.06522	4.1
89.14191	3.3
90.27177	3.6
91.05457	51.4
93.07030	100.0
94.07326	3.8
95.04949	33.0
95.08586	48.0
97.06497	13.7
105.04463	6.0
105.07016	81.8
106.07346	4.1
107.08566	40.4
109.06500	29.0
109.10128	15.6
111.08040	10.8
112.21950	3.5
112.41021	3.5
115.05468	5.0
117.07008	15.3
119.08558	61.5
119.09325	7.1
121.05665	3.6
121.06480	14.5
121.10100	45.0
123.08025	34.5
128.06192	5.8
129.06973	12.8
130.07747	7.8
130.09549	3.6
131.08542	32.8
133.06451	7.8
133.10110	35.9
135.07166	3.8
135.08012	21.0
137.09570	13.4
141.06947	4.8
142.07756	16.1
143.08543	27.3
145.06427	4.6
145.10098	43.9
147.08020	30.1
147.11705	17.8
148.08826	5.3
149.09605	25.5
151.07483	39.6
153.09097	4.9
155.08511	8.4
156.09268	13.7
157.10097	46.7
159.07956	7.5
159.11636	18.9
160.08820	6.2
161.09613	20.3
161.13257	4.2
163.11142	7.5
165.09105	35.9
169.10118	8.1
171.11638	11.0
173.09575	9.6
173.13234	12.3
175.11143	17.0
175.14786	5.4
177.09082	7.1
181.10109	4.4
183.11746	5.1
185.13205	16.4
187.11211	7.2
189.12709	10.5
197.13164	4.3
201.12656	10.3
203.14296	26.5
207.13741	15.0
209.13179	5.9
211.10841	4.0
213.12738	4.6
215.14290	6.5
219.13710	7.5
221.13203	7.4
221.15295	65.7
223.14742	4.2
231.13690	4.8
233.15472	4.7
234.16106	8.1
247.17004	5.2
257.77512	3.9
287.19928	8.3
299.19809	6.0
303.19452	7.9
304.08783	5.0
354.34689	4.0
365.24579	11.5
383.25720	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03936	3.4
55.05505	12.9
57.03441	2.7
57.07063	11.8
59.04979	5.6
65.03928	4.1
67.05499	29.6
69.03417	14.3
69.07053	10.2
71.04988	6.6
74.38057	1.8
79.05477	35.5
81.03372	2.4
81.07050	37.8
83.04976	8.2
83.08611	4.5
85.06544	5.4
91.05460	43.4
93.07031	100.0
95.04956	27.4
95.08595	36.3
97.06512	15.5
98.22658	3.4
103.05460	3.4
103.51412	2.2
105.04517	5.6
105.07016	84.7
106.07338	3.0
107.04948	2.3
107.08579	45.0
109.06499	26.3
109.10149	21.6
111.08063	8.9
115.05433	3.7
117.07010	9.7
119.08562	53.4
121.06478	11.7
121.10128	46.9
123.08047	35.1
123.11654	2.1
128.06207	8.2
129.06964	12.4
130.07790	3.2
131.08549	31.8
133.06499	10.2
133.07372	2.3
133.10100	32.7
135.08025	28.4
135.11690	5.9
137.09613	10.8
141.07013	4.0
142.07742	19.3
143.08559	23.3
144.09306	2.6
145.06476	2.4
145.10097	34.7
146.07283	3.3
147.08038	29.3
147.11667	18.0
148.08734	3.7
149.09590	24.6
151.07527	44.6
152.07874	2.2
155.08553	6.5
156.09343	10.1
157.10100	45.2
158.10529	3.3
159.08034	10.7
159.11696	19.8
160.08810	5.1
161.09598	21.7
161.13257	7.2
163.11151	7.0
165.06966	2.6
165.09093	42.2
168.09290	3.8
169.10133	6.5
170.10832	4.9
171.11681	7.9
173.09634	9.1
173.13226	10.5
174.10350	3.8
175.11159	24.3
175.14708	10.5
177.09050	13.3
178.09840	3.0
179.08574	3.7
179.10573	3.1
181.12224	2.6
182.10921	3.6
183.11703	6.7
185.09567	2.9
185.13223	20.4
187.11165	5.8
187.14801	3.5
189.12735	9.2
191.14273	3.2
193.10042	2.6
195.11667	4.8
197.13197	6.4
199.11189	2.8
201.12749	8.3
203.14272	32.1
207.11873	4.2
207.13722	16.1
209.13283	6.7
209.15361	8.8
211.14827	2.6
213.16434	2.0
215.14359	9.1
216.15155	2.4
219.13762	2.7
221.13179	5.2
221.15326	81.8
221.17407	4.5
222.15497	4.7
225.12685	3.4
227.14285	4.8
229.15799	3.4
231.13838	4.2
233.15405	6.5
234.16086	12.0
237.14748	4.8
243.13771	3.4
253.15813	3.3
274.19266	3.8
281.18817	2.6
286.19244	4.5
287.19995	10.2
299.20071	7.7
303.19507	9.8
314.69150	2.0
327.19525	2.5
347.23639	3.7
365.24487	11.5
383.25763	89.7
383.30716	5.1
384.25992	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	383.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39622	1.6
53.03937	2.1
55.01872	4.2
55.05499	21.0
57.03423	4.3
57.07063	11.4
58.10859	1.7
59.04723	2.0
59.04982	10.8
65.03930	3.6
67.05493	40.0
69.03416	15.5
69.07053	11.2
70.67970	1.7
70.68325	1.7
71.04996	8.9
77.03914	3.3
79.05474	36.8
81.03391	3.2
81.07040	38.5
83.04951	9.6
83.08590	8.6
85.06522	6.7
91.05463	51.6
93.07024	100.0
94.07362	2.1
95.04949	32.7
95.08588	45.8
95.09200	2.2
97.06508	14.6
103.05470	2.3
105.04504	3.4
105.07007	80.2
107.04942	4.3
107.08569	43.0
107.09257	3.4
108.05715	2.4
109.06495	28.0
109.10133	24.3
110.06828	2.5
111.08051	10.0
115.05425	5.0
117.07022	16.9
119.04874	3.4
119.06061	2.6
119.08555	57.9
120.09387	2.2
121.06478	14.9
121.10121	43.2
122.07267	1.8
123.08043	38.0
124.08440	1.8
125.09562	2.9
128.06155	11.8
129.06989	16.2
130.07848	4.1
131.08534	33.4
133.06429	10.0
133.10101	38.3
134.00023	1.7
135.08035	22.4
135.11671	8.3
137.05942	3.8
137.09605	12.2
141.06955	6.2
142.07745	22.6
143.08530	25.9
144.09305	4.1
145.06471	5.0
145.10094	40.1
146.07272	2.2
147.08018	28.4
147.11636	14.6
149.09592	22.8
151.07513	39.1
153.09116	2.7
155.08557	8.9
156.09250	8.8
157.10095	42.5
158.10460	2.7
159.08052	9.1
159.11644	16.7
160.08777	4.3
161.09572	22.8
161.13225	6.1
163.11145	9.7
165.09085	47.9
165.10408	3.4
169.10132	9.5
170.10860	6.9
171.11629	10.3
173.09583	10.3
173.13258	8.1
175.11147	22.3
175.14777	8.2
177.09087	10.5
178.09810	2.0
179.10803	2.5
181.12260	3.7
182.10863	3.3
183.11688	6.4
185.09607	3.3
185.13237	16.9
187.11189	3.2
187.14760	4.2
188.11864	1.9
189.12723	11.2
191.10779	2.4
191.14351	4.8
195.11646	3.6
197.13295	7.8
199.11137	5.2
201.12689	8.1
203.14259	28.9
205.31490	2.3
207.11742	4.3
207.13782	12.0
209.13225	4.5
209.15266	3.1
211.14691	3.4
213.12715	3.3
215.14322	5.1
219.13783	4.5
221.13202	3.0
221.15308	55.7
222.15697	2.5
225.16251	2.6
227.14235	3.8
229.12231	2.5
229.15953	3.0
231.13802	4.1
233.13240	2.4
233.15318	3.9
234.16006	10.5
237.14655	2.6
241.15779	2.3
243.13893	2.1
251.14374	2.1
255.17459	2.5
273.18640	2.3
281.18912	3.6
286.19229	7.5
287.19983	9.1
299.20148	4.4
302.20218	1.8
303.19461	5.7
345.20432	3.4
347.23724	2.7
365.24725	9.0
383.17999	4.2
383.25711	59.7
383.30655	3.5
384.26083	6.6
384.31268	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1439
Annotation	Zijinlongine
Peak:m/z	Relative Intensity
64.26054	1.1
67.05479	1.9
69.07057	1.5
79.05482	2.0
81.07043	2.2
83.08577	1.6
87.29616	1.2
93.07037	1.6
97.06504	1.2
98.23438	2.8
101.65430	1.4
105.03349	1.7
105.07007	1.4
107.79936	1.1
121.10159	1.5
139.67407	1.1
220.07616	2.0
231.06859	1.4
232.07448	1.7
233.08270	2.8
236.07083	3.6
237.07773	1.6
247.09898	2.8
248.06972	5.7
249.07843	8.7
250.08563	2.1
253.08548	1.4
261.07791	3.7
262.08618	4.7
263.09390	20.7
264.06653	3.6
264.10141	12.3
265.07373	1.8
266.07816	1.3
276.06723	2.2
276.10104	7.7
277.07224	3.2
278.08057	8.7
279.08762	8.9
280.09619	12.9
282.07422	2.0
283.09564	2.1
290.08124	2.8
291.08878	12.7
292.09631	76.3
293.10388	7.5
294.07687	3.1
294.11227	10.0
296.12927	1.4
298.10757	1.7
305.10403	2.2
306.07809	1.4
306.11172	6.3
307.08524	3.3
307.11963	40.6
308.09122	29.1
308.12277	2.7
309.09692	3.8
310.06970	4.6
310.10330	1.8
311.12775	3.6
320.09171	7.0
322.10672	65.8
323.11368	23.8
324.12170	2.4
325.09326	2.4
327.12262	5.3
328.15543	1.8
335.11517	6.4
337.13052	15.5
338.13794	100.0
339.14255	6.5
340.15442	4.4
351.10983	5.1
352.07944	1.7
353.12595	8.0
356.14932	5.1
366.13293	56.7
367.13702	4.2
369.11981	1.8
384.06757	15.2
384.09891	2.0
384.14569	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12858	0.7
55.05493	1.1
67.05482	2.6
69.62193	3.0
79.05472	1.0
81.07040	1.6
84.42655	0.9
86.06039	1.0
98.22825	1.4
175.11136	0.9
207.07890	4.2
208.08749	2.2
218.07156	1.5
219.08025	6.0
220.08797	1.8
221.09662	1.4
223.11172	1.3
225.08949	1.0
233.09618	1.5
234.06757	1.0
234.10193	0.9
235.07501	10.3
236.08231	4.2
237.08963	1.6
246.06720	1.2
247.07532	17.8
247.09920	3.1
248.08107	1.4
249.09114	4.1
250.09822	2.4
251.10660	4.1
252.10176	1.5
253.08563	1.2
261.09137	1.7
262.09848	29.8
263.06961	13.7
263.10153	4.1
267.10043	2.7
268.10876	1.0
276.11377	1.2
277.08582	1.1
278.09299	25.8
278.11737	1.6
279.10025	11.4
279.12726	1.6
280.10013	1.1
281.11642	3.3
282.11456	1.1
284.10260	1.9
292.09650	7.6
293.11667	100.0
294.12274	21.5
295.09387	5.9
295.12299	2.2
307.09772	0.9
307.13007	5.0
308.09293	1.2
308.12735	1.9
309.13626	1.3
310.14462	37.9
311.09201	1.1
311.14621	3.0
312.12375	1.1
315.12289	1.7
322.10709	1.2
325.14294	4.1
328.15457	1.1
334.14319	2.5
338.09778	1.6
338.13751	13.0
339.14047	1.3
352.15421	3.3
356.14807	5.7
384.13718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37809	4.0
69.03416	13.8
69.24689	24.7
69.85027	3.6
71.05015	3.9
81.03413	14.3
85.02902	65.5
97.02868	11.3
98.22652	5.4
99.04456	37.1
101.53254	4.0
103.03931	98.5
109.02873	16.2
127.03905	100.0
145.04945	73.7
163.06003	43.8
187.05969	6.0
268.80106	4.3
271.08206	4.6
290.93985	4.2
307.10205	6.5
380.01932	4.1
397.29205	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	384.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82024	5.8
53.03945	5.2
57.03445	8.8
60.84043	5.6
61.02937	6.7
66.30727	6.3
69.03425	12.6
69.07064	7.0
71.04982	13.8
81.03407	17.8
85.02885	77.3
97.02892	28.8
99.04437	42.8
103.03925	96.8
107.08546	6.4
109.02853	20.6
121.06448	37.9
127.03899	100.0
143.07091	6.8
145.04915	70.3
163.05989	41.8
186.56378	6.8
188.97520	6.5
384.20273	8.3
395.15695	7.1
409.20294	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	384.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.3
55.01857	4.6
57.03426	4.9
61.02908	5.6
67.43425	1.8
68.99785	3.7
69.03423	35.8
69.22875	11.5
71.04971	4.1
72.38666	1.8
73.02893	7.6
75.21843	1.9
81.03412	23.5
81.38131	1.6
85.02894	100.0
87.00822	45.9
87.04440	2.1
91.03969	2.3
91.05471	3.3
97.02329	2.7
97.02887	35.2
99.04435	14.2
105.01853	66.8
109.02867	24.2
110.03255	2.3
117.01839	2.1
119.04908	4.0
119.10656	5.8
127.03899	68.9
128.04306	1.9
129.01791	3.2
145.04942	36.2
146.25777	1.8
153.05475	2.8
159.02879	11.7
175.03804	3.0
189.03888	3.9
207.06500	7.2
213.03915	4.8
231.04942	17.4
232.26775	2.0
249.06157	4.1
251.05724	2.2
270.17050	4.3
280.06049	3.8
294.07489	2.8
308.08960	3.4
309.09906	7.7
310.07162	3.0
310.10590	2.2
324.08490	9.3
325.09375	4.2
340.11728	9.5
368.11377	3.1
384.14200	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	385.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84750	1.9
53.03930	3.3
53.42360	2.2
54.67437	2.8
55.01866	19.6
55.05504	64.7
57.03431	16.1
59.04993	2.3
61.93779	2.0
67.05157	3.4
67.05500	62.1
69.03416	9.7
69.07059	24.4
69.15677	15.4
71.04978	2.8
71.08628	19.5
79.05479	48.4
81.03412	20.9
81.07052	45.3
83.04984	26.1
83.08614	43.8
85.02876	6.2
85.06514	4.5
90.26919	2.1
91.05461	27.6
93.07034	43.5
95.04959	75.5
95.08597	29.2
97.06531	13.1
97.10157	39.4
98.22668	3.1
99.04429	6.0
99.08071	18.2
105.07020	17.0
107.04933	13.1
107.08582	35.8
109.06510	7.0
109.10125	19.2
111.04420	19.5
111.08039	13.1
117.06984	11.2
119.08572	16.2
121.02906	3.9
121.06484	8.9
121.10120	20.9
122.93436	2.5
123.08028	6.5
123.11685	3.8
125.09615	37.8
129.07016	5.6
131.08575	16.5
133.06354	2.6
133.10091	12.1
135.08031	9.1
135.11684	9.1
137.09589	3.4
139.11188	5.2
143.08490	2.5
145.10114	18.3
147.08076	5.3
147.11676	8.9
149.09616	27.7
151.11160	3.8
153.09074	7.6
153.12744	7.0
157.10139	4.4
159.11667	8.9
161.09633	4.0
163.11163	39.3
165.12730	5.4
167.10637	5.0
169.10138	3.0
171.10254	2.5
173.09641	2.2
177.12712	7.0
181.12233	6.1
187.11163	4.1
189.11183	37.5
191.10603	5.7
193.12164	7.3
195.13762	9.1
205.12212	6.6
223.13248	43.1
227.12720	11.6
229.19493	3.5
239.17932	3.1
247.20619	5.3
257.18988	5.4
275.20047	65.4
276.20377	3.7
293.21057	100.0
294.21451	7.3
311.12659	4.8
311.21994	3.0
313.14160	3.4
349.19727	7.5
349.23630	3.2
356.14911	3.5
367.24667	29.5
385.07404	3.5
385.21478	5.4
385.26163	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39307	3.0
53.03931	7.8
55.01867	20.6
55.05504	95.5
55.48693	2.4
57.03433	22.8
57.07064	3.2
59.77149	2.4
65.03940	3.0
66.43594	2.9
67.05152	5.1
67.05496	72.1
69.03427	12.4
69.07056	29.7
71.05006	5.9
71.08626	24.0
78.62391	2.9
79.05486	68.6
81.03404	20.5
81.07047	64.6
83.04977	34.7
83.08612	52.2
85.02894	5.1
85.06522	5.0
85.99866	2.4
91.05480	35.7
91.05994	4.7
93.07036	50.4
95.04956	64.9
95.08604	33.2
97.02844	3.2
97.06516	12.0
97.10163	53.4
99.04447	4.9
99.08092	19.3
105.07022	27.6
107.04970	14.0
107.08574	47.8
107.57884	2.6
109.06486	12.8
109.10152	24.2
111.04430	28.2
111.08064	13.8
117.07009	15.5
119.08560	16.7
119.09306	2.6
121.06478	8.0
121.10150	19.2
123.08056	7.5
125.06000	3.9
125.09621	53.0
126.09995	2.6
129.06960	5.6
130.07848	2.6
131.08556	14.3
133.10094	12.8
135.08043	9.5
135.11671	11.9
137.09599	3.9
139.11131	4.9
145.06438	4.0
145.10110	22.4
147.08003	4.0
147.11691	12.5
149.09589	20.5
151.07486	2.9
151.11157	6.4
153.09062	12.2
153.12735	9.1
157.10103	2.5
159.11653	8.3
161.09618	4.7
163.11168	48.4
165.12704	6.5
167.10757	5.7
171.10149	6.5
173.09619	5.5
173.13249	2.8
175.11063	4.0
177.12746	10.2
181.12224	8.8
183.13879	2.6
186.85266	2.9
189.11191	68.2
189.12784	6.1
190.11465	2.8
191.10648	8.2
191.14375	3.7
193.12248	9.3
195.13765	12.1
205.12277	5.0
211.13342	5.9
223.13235	34.2
227.12747	18.9
247.20436	5.7
257.18912	6.2
275.20020	66.3
276.20322	4.6
293.21066	100.0
294.21487	8.1
309.10773	2.6
311.22214	4.8
349.19757	3.3
367.24710	26.9
385.25888	25.5
386.26483	7.5
408.62836	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	385.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.0
55.05503	15.9
57.07076	9.6
59.05014	4.3
61.57109	3.7
67.05492	34.7
67.65544	4.1
69.03427	12.4
69.07047	13.0
69.51438	3.8
71.04969	4.4
71.08620	14.8
71.43179	6.3
74.15131	3.6
78.86794	4.0
79.05482	25.4
79.05874	4.2
81.07038	37.8
83.04980	9.2
83.08609	8.4
85.06540	11.4
88.40871	5.2
91.05463	29.6
93.07031	35.8
95.04970	23.8
95.08607	23.7
96.05727	4.9
97.02893	16.4
97.06501	13.5
99.16005	5.2
105.07004	24.8
107.08576	13.9
109.06487	20.0
109.10153	11.5
111.04408	19.7
111.08096	4.5
113.06007	6.2
117.06915	6.0
119.08572	17.0
121.06494	30.2
121.10137	23.4
123.04420	6.2
123.08041	8.2
124.05171	6.0
131.08575	28.4
133.10068	8.9
135.08003	8.9
137.05965	5.9
137.09630	5.8
143.08650	4.4
145.10115	15.3
147.11728	6.0
149.09604	17.5
151.11157	7.9
155.82040	5.7
157.10172	5.8
159.11671	4.9
163.11160	6.9
165.12743	24.2
167.10680	4.9
171.11763	4.3
179.14336	6.0
181.12210	100.0
191.14372	5.0
207.13763	5.0
263.16388	6.9
289.21686	11.2
293.20819	5.5
305.21091	18.2
324.03616	4.7
328.12662	8.9
341.15723	12.2
351.25171	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29040	0.8
52.44521	0.8
52.74040	0.9
56.96554	17.6
58.06588	1.0
61.02926	1.0
69.03426	2.3
69.76047	2.0
69.76407	2.2
70.06580	2.5
72.08151	1.5
76.75114	0.9
84.08150	1.0
84.96037	1.5
85.02897	2.4
85.16473	0.9
86.05991	1.1
97.02882	2.4
98.97572	22.0
107.04977	1.8
110.97588	1.8
116.98616	15.4
118.99932	0.9
124.00705	0.9
127.03902	1.6
128.98613	2.8
130.93314	3.1
134.99634	8.1
138.02327	1.6
146.99658	1.9
156.03297	37.2
156.04541	1.8
158.99626	1.1
160.02744	1.0
164.07051	9.9
168.03212	4.4
172.94328	13.3
174.04367	53.5
175.04704	1.1
177.00793	1.0
180.10141	1.0
183.53848	0.9
186.04358	32.1
186.06030	1.6
190.95381	17.4
191.95753	1.0
192.05470	7.6
198.04381	1.6
204.05428	27.2
204.96991	1.2
205.00346	1.1
208.96417	7.6
214.95467	3.5
216.05428	1.2
217.44254	0.9
219.01790	2.5
220.02118	1.0
224.09286	1.4
224.12801	3.9
232.96428	10.8
233.96809	1.1
237.02664	5.9
238.03137	2.7
238.95570	1.3
248.99269	1.2
250.97466	6.4
254.00174	1.2
256.96231	4.6
257.96872	2.5
257.99567	1.5
267.95178	1.0
272.01273	2.1
274.97479	10.9
275.97894	1.7
284.01279	1.7
284.96008	2.1
285.96307	3.8
292.98566	7.1
293.99585	3.9
296.01157	9.5
300.00784	1.3
302.01987	1.8
308.09131	1.9
312.00647	3.9
314.02173	36.8
315.02719	1.5
325.05643	1.1
326.02206	100.0
326.05783	3.9
327.02594	3.7
332.03278	11.4
337.03580	1.3
344.03253	91.6
345.03674	4.7
360.97107	0.9
361.97821	3.1
362.04303	3.7
367.04767	3.4
385.97781	1.0
386.08688	1.0
386.13901	4.2
386.18756	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	386.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12915	1.7
51.81295	1.9
66.54472	1.7
69.37173	3.7
69.37572	5.7
72.93775	1.8
74.11140	1.7
76.27980	1.9
136.59230	1.7
161.13237	2.3
196.67780	1.7
211.06279	2.6
213.07645	2.5
235.06189	2.1
236.07053	6.7
237.07777	6.9
238.08618	2.3
239.05759	2.5
248.07094	3.0
250.04912	6.2
250.08606	3.7
251.05702	6.0
252.06488	3.0
254.08014	4.3
256.09555	3.2
263.05710	3.3
264.06537	12.0
265.07251	12.8
266.07956	8.6
267.05225	7.6
268.05695	2.4
277.28217	1.9
278.04456	2.5
278.07840	2.5
279.05042	3.6
279.08725	2.4
280.06009	10.6
280.09631	26.5
281.06744	7.6
281.09702	2.7
282.07498	11.5
284.09079	7.4
292.05853	5.7
293.06747	5.8
294.07568	24.5
295.04706	2.5
295.07916	3.9
296.09116	13.7
298.10751	3.1
304.05945	2.2
306.04190	4.0
306.07559	10.0
308.05731	4.5
308.09125	8.4
309.06204	3.6
309.09534	3.2
310.07123	34.7
310.10770	6.0
311.07672	2.3
312.08630	25.2
322.07050	2.6
324.08630	25.7
324.12231	4.5
325.09415	11.9
326.10138	23.2
327.10773	5.8
334.07300	3.0
335.07901	9.5
336.08673	10.6
338.06519	54.2
339.06937	3.5
340.11734	24.9
342.13315	58.4
343.13589	3.1
350.10303	5.6
353.08835	17.7
354.09381	1.8
368.11243	100.0
369.11380	6.0
386.12219	30.6
387.12778	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1419
Annotation	Met-Lys-OH
Peak:m/z	Relative Intensity
51.66523	0.3
57.03415	0.3
58.06577	0.4
60.13875	0.3
69.03416	0.4
69.33912	0.4
69.34315	1.3
71.04970	0.5
77.51633	0.3
81.03381	0.3
85.02917	1.4
85.82490	0.3
119.34711	0.3
120.08034	0.4
127.03860	0.3
129.05507	0.5
144.17072	0.3
162.05307	0.9
165.07887	0.3
180.06264	3.2
206.08092	0.5
222.07523	0.3
224.09140	3.3
247.07768	0.6
269.98547	0.3
362.51804	0.3
386.14157	100.0
387.14450	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	386.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20497	1.4
55.71851	1.2
61.22156	1.3
65.03908	2.1
66.95928	1.2
69.44185	1.2
70.58016	1.4
70.58344	1.7
79.05479	1.8
91.05491	1.5
94.04188	2.5
103.05458	10.8
105.03381	1.6
105.07019	2.9
107.04945	1.3
109.06483	1.4
115.05453	2.5
118.04156	1.7
122.03600	7.5
131.04913	10.5
133.02890	1.2
133.25014	1.3
137.05957	76.0
143.04907	1.7
145.06477	3.8
148.05125	6.4
151.03897	27.4
151.04993	2.5
153.05391	1.4
163.07521	9.9
167.07056	8.4
173.05945	3.1
181.04927	19.6
191.07002	36.6
191.08647	1.9
205.06596	2.3
205.08624	1.7
206.07272	1.6
209.07965	1.7
217.08601	1.5
219.07985	2.0
221.09554	3.7
222.06689	2.6
233.05925	2.2
233.08060	2.1
234.06700	9.5
234.08978	2.9
235.09726	1.5
237.09106	4.4
239.10623	1.6
247.07571	1.5
248.08318	2.1
249.09010	13.2
251.06885	1.9
251.10686	1.7
265.08563	23.9
265.11197	2.0
266.08871	1.8
277.08554	14.6
277.11035	5.0
278.09091	3.2
279.10098	3.4
281.11694	2.5
283.09555	2.7
284.10513	1.7
291.33047	1.3
292.10886	30.3
293.08051	36.5
293.11191	5.0
294.08173	1.7
295.09583	3.2
297.11179	4.3
308.10104	25.9
309.10791	3.4
310.11905	8.1
311.09088	3.5
323.12729	100.0
324.13095	6.9
326.11493	7.7
336.12445	1.6
339.04153	1.3
340.15607	2.3
341.13635	4.4
355.11642	1.7
357.13220	9.0
368.14969	3.4
387.14328	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	386.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61705	1.2
68.65455	1.2
69.20863	6.4
72.04493	6.2
79.05460	1.4
86.71226	1.6
92.13983	1.2
109.50667	1.2
137.05952	10.0
145.06454	1.8
148.05180	1.7
151.03882	5.4
151.07545	1.6
165.06985	1.3
167.07013	5.1
167.08409	2.0
173.06091	2.0
181.04970	7.3
181.06384	1.7
189.06982	1.3
191.07031	6.1
191.08591	1.9
195.08005	6.5
196.08542	1.9
202.07692	2.0
205.06450	3.1
206.07263	4.6
207.08060	9.6
208.08682	3.3
209.09642	3.7
219.08073	5.2
221.06015	1.8
221.09627	3.1
222.06886	2.0
223.07578	11.8
224.08224	3.8
225.09134	3.4
227.10780	2.7
233.05943	2.3
234.06746	11.8
234.08910	2.3
235.07510	27.2
235.09885	11.3
236.04543	1.5
236.08313	12.9
236.10440	2.1
237.09099	8.4
238.09900	5.9
239.07005	1.9
239.10649	9.5
247.07367	2.8
248.08316	3.2
249.09038	11.6
250.06216	3.0
250.09856	16.4
251.07025	19.3
251.09361	2.5
251.10748	2.4
252.07732	8.6
253.08382	2.5
253.12170	3.1
254.09361	2.8
255.10089	7.5
262.06213	2.0
263.06989	20.7
263.09702	4.4
264.07672	5.1
264.10294	2.1
265.08517	8.4
265.11053	5.0
266.09308	21.1
266.11835	3.9
267.10117	14.7
268.10403	2.6
269.11737	3.9
277.08545	30.5
277.11346	2.4
278.09329	34.8
279.06433	10.7
279.09644	7.2
280.07181	2.1
280.10931	1.5
281.11700	12.1
282.12238	5.4
283.09818	8.0
283.12634	2.0
291.10016	1.9
293.07938	10.8
293.10861	1.6
294.08710	18.7
294.11295	20.0
295.09491	26.2
296.09964	3.0
297.11133	4.4
298.11829	6.2
308.12796	3.1
309.11105	100.0
309.13751	61.7
310.11697	50.4
311.09137	17.3
311.12518	3.4
312.09167	1.5
313.14334	13.4
325.13138	10.8
326.11279	5.0
337.12930	3.2
340.15387	75.3
341.13715	71.0
342.14127	6.1
353.12549	1.9
354.13202	4.5
356.14899	19.3
368.14908	13.6
370.94385	1.6
386.15912	3.6
387.14407	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	386.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64587	3.4
72.04511	3.2
84.16068	0.7
87.84887	0.8
90.54360	0.8
98.89779	0.7
144.62148	0.9
165.06960	1.2
178.07765	2.0
179.08467	0.9
189.06989	1.6
190.07758	1.0
191.08595	1.4
193.06459	1.7
195.08080	2.1
196.08783	0.8
203.08577	0.9
205.06526	1.8
206.07243	9.8
207.07953	5.0
208.08763	1.2
209.06113	1.2
211.07591	1.5
218.07288	0.9
219.08008	2.4
221.06155	1.3
221.09586	4.6
222.06740	1.8
222.10408	1.9
223.07503	9.0
224.08264	1.8
225.09103	0.8
233.05998	4.6
234.06754	21.8
234.09003	1.0
235.07478	14.7
236.08192	3.8
237.09004	6.5
238.09883	2.9
239.07057	1.1
239.10683	2.5
242.63641	1.0
247.07465	3.3
248.08516	1.2
249.09061	31.4
250.06213	1.6
250.09792	10.8
251.07054	11.9
251.09541	3.4
252.07732	5.8
253.08345	1.1
253.12262	1.8
262.06302	2.0
262.08673	1.8
263.06998	10.9
263.09393	1.4
264.07712	3.2
265.08548	7.5
266.09360	9.6
266.11884	2.7
267.06744	1.4
267.10117	6.5
268.07181	1.5
277.08566	50.6
278.09232	10.6
279.06485	13.6
279.09714	5.1
280.07196	2.1
281.08249	4.1
281.11743	3.8
282.08963	1.7
283.09613	1.8
291.10120	1.7
293.07986	1.6
293.10797	1.3
294.08661	32.5
294.11346	5.6
295.09509	14.0
296.10129	1.8
297.11133	6.5
298.11581	1.4
299.09167	1.2
309.11160	100.0
310.11792	23.2
311.09100	5.7
311.12393	2.7
313.10654	2.2
322.10709	7.9
326.10635	1.3
326.14188	19.4
327.14365	1.2
336.12292	2.4
341.13800	12.1
342.14035	1.3
354.13300	28.9
355.13760	4.1
386.15918	9.0
387.15720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88752	2.4
55.05500	3.1
58.06581	5.1
69.41982	13.4
72.08123	2.7
79.05491	4.6
95.04939	2.7
95.08622	2.6
101.72104	2.9
105.07016	8.4
115.05475	4.6
133.06477	7.9
137.05983	7.8
149.02296	10.4
150.02673	7.8
154.81114	2.6
161.05957	7.2
165.06981	6.6
166.05002	9.1
171.04395	24.5
178.07718	5.4
179.08481	3.2
189.05443	68.8
189.06984	4.4
190.05719	4.0
191.08614	3.2
193.04913	6.7
194.05342	5.9
194.07217	3.0
195.08063	9.2
198.07440	3.0
205.06474	7.0
206.07257	12.4
207.08003	7.1
208.05190	3.1
209.06021	4.1
219.08144	5.2
221.05873	5.0
221.09648	5.2
222.06706	5.8
223.07607	13.6
224.08284	8.3
225.09096	17.0
233.05949	6.1
234.06764	26.3
234.08949	5.1
235.07516	19.5
236.04745	3.3
236.08304	8.7
237.05449	4.3
237.09030	7.6
238.09828	3.3
239.07054	3.8
239.10536	2.9
248.08302	3.0
249.05388	4.1
249.06311	2.9
249.09111	48.5
250.06175	11.4
250.09654	11.0
251.06961	22.7
251.09091	3.7
252.07671	8.8
253.08531	11.2
262.06155	3.7
262.08658	11.7
263.07037	34.7
263.09488	3.9
264.07547	5.5
265.08511	21.2
265.10974	3.4
266.06009	3.4
266.09293	23.1
267.06570	4.1
267.10165	7.8
277.08548	42.3
278.09344	34.6
279.06412	10.5
279.09329	13.2
280.09927	3.7
281.08054	23.8
281.11636	8.3
282.08707	7.9
293.08026	4.3
294.05634	4.3
294.08298	15.1
294.11688	18.3
295.09479	14.1
296.09695	4.5
297.11090	21.5
298.07965	6.5
298.11169	14.1
307.08456	3.9
309.07486	7.7
309.11133	100.0
310.08353	3.0
310.11700	18.1
311.09018	8.6
313.10690	42.6
322.10709	31.8
326.10687	22.5
326.14072	41.3
327.11612	3.2
339.11099	7.3
341.10071	6.8
341.13803	7.5
342.06714	4.4
354.09598	4.2
354.13376	36.7
355.13730	4.8
360.08469	3.3
371.13577	24.7
386.09470	11.2
386.16278	23.7
386.23050	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	386.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
57.03434	28.0
61.02922	15.6
69.03423	35.6
69.26863	5.8
69.27271	3.7
70.15917	1.9
70.82134	1.6
71.01340	2.7
73.02492	2.9
73.02907	55.5
81.03402	5.8
83.14503	2.3
85.02894	100.0
86.44414	1.6
87.04458	3.3
91.03954	5.4
97.02882	46.4
99.04425	2.8
103.03853	2.0
109.02846	8.1
115.03912	27.5
127.03902	27.4
133.04927	11.9
145.04941	51.0
163.05991	31.9
200.12032	1.9
237.13344	3.5
241.06972	2.9
257.26007	1.9
259.08005	4.3
295.10086	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	386.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64196	0.3
55.05509	0.8
56.05031	1.0
58.06590	2.6
58.87388	0.3
60.04516	0.3
67.05495	0.9
69.03420	0.4
69.28918	1.5
70.02950	2.0
70.06577	3.1
79.05487	1.2
81.07043	1.3
84.04510	0.8
84.08134	0.8
85.02901	0.8
88.03986	2.2
90.05550	0.5
91.05476	1.8
93.07021	2.0
95.04952	0.5
95.08548	0.8
100.03954	0.9
102.05524	2.2
105.07026	1.4
107.04966	0.3
110.06052	0.6
115.05458	0.7
116.03439	4.1
116.07017	0.4
117.07003	1.5
118.05046	1.8
118.06886	0.6
119.08577	0.9
121.82456	0.3
128.06210	0.5
129.06987	3.5
130.05002	1.2
131.08546	1.8
133.10081	0.4
136.07530	0.4
137.05984	0.9
141.06995	1.6
142.07841	0.5
143.08556	2.6
144.06589	0.4
145.04939	0.4
145.06483	1.1
145.10110	1.2
151.07576	0.4
152.10597	0.5
155.08521	2.2
156.06520	1.2
157.10086	2.0
158.08122	0.5
159.11667	1.3
161.09621	0.4
165.06927	0.6
166.07631	0.4
167.07080	0.5
167.08519	0.8
168.09418	0.4
169.10168	1.8
170.08185	0.4
171.11713	2.9
173.05998	0.8
173.13219	0.4
175.07529	0.8
179.08487	0.5
180.06627	0.7
181.04976	0.5
181.10092	1.9
182.08136	0.8
183.11670	4.1
185.13249	1.1
195.11635	0.7
197.13284	1.1
198.11230	0.5
205.06512	0.9
207.08130	0.7
207.11671	0.6
207.13623	0.5
209.09570	0.3
209.13254	1.6
211.14815	0.8
220.05157	0.5
221.13211	0.9
222.13747	0.4
223.14850	0.4
225.16350	0.9
234.06776	0.5
235.07561	2.5
235.15042	0.3
237.09091	0.8
237.16298	0.8
239.18005	0.4
251.06964	0.6
251.17938	0.9
252.07817	0.7
253.08504	0.5
253.19476	1.6
263.07040	2.7
263.18073	0.8
265.08438	0.6
266.19437	0.5
267.10214	2.4
280.07150	0.5
281.11490	0.5
292.07162	0.4
295.09656	1.8
297.11148	1.1
307.09723	1.2
314.68442	0.4
322.21594	0.9
325.10660	0.7
340.19156	0.6
354.13187	0.6
355.11902	0.5
368.22177	8.5
369.22531	0.9
386.23209	100.0
387.15027	0.5
387.23547	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	386.2323
Annotation	Pordamacrine B
Peak:m/z	Relative Intensity
50.45652	0.3
56.05019	0.6
58.06596	1.9
60.04494	0.8
67.05506	0.6
70.02934	1.8
70.06588	2.7
72.04499	0.7
79.05480	1.1
81.07047	1.4
84.04482	1.0
84.08118	0.7
88.03983	2.5
90.05544	0.5
91.05468	2.0
93.07021	1.0
95.08583	1.2
97.02940	0.3
100.03956	1.4
101.47939	0.3
102.05534	2.6
105.07027	1.5
107.08566	1.0
110.06040	0.6
115.05451	0.7
116.03419	4.4
117.07030	1.1
118.05007	2.0
118.06847	0.7
119.08589	0.7
123.08014	0.5
124.11182	0.3
129.06987	3.0
130.04996	1.1
131.08537	1.5
133.10152	0.5
137.05975	1.1
141.06947	1.5
142.07767	0.6
143.08580	2.5
144.06497	0.6
145.06488	0.8
145.10132	1.2
147.11743	0.3
151.03868	0.5
151.07472	0.3
152.10617	0.4
155.08528	2.5
156.06528	0.7
157.10101	1.7
158.08156	0.6
159.09200	0.3
159.11659	1.6
167.08615	1.0
169.10112	1.8
171.11667	3.2
173.05971	0.4
173.13318	0.4
175.07503	0.5
179.08572	0.4
181.05005	0.5
181.06451	0.3
181.10065	1.6
181.12129	0.3
182.08104	0.7
183.11673	4.3
184.12096	0.5
185.13220	1.4
193.97736	0.3
195.11700	1.1
197.13271	1.1
198.11201	0.5
199.14850	0.3
203.06996	0.4
207.11638	0.5
207.13783	0.4
209.13246	2.0
211.14862	0.9
213.12297	0.5
220.05180	0.4
221.13322	0.5
223.15016	0.4
225.16377	0.6
235.07545	1.6
237.09056	0.8
237.16302	0.7
239.17809	0.5
251.17944	0.8
252.07771	0.7
253.08652	0.5
253.19417	2.4
263.07022	2.2
263.17847	0.6
265.08502	0.7
267.10138	2.1
280.10974	0.4
295.09546	1.3
297.11050	0.4
299.12726	0.6
307.09558	0.9
310.10638	1.0
322.21646	0.9
325.10593	0.6
326.13870	0.9
340.18997	0.5
340.22739	0.4
355.11740	0.4
368.22153	10.4
369.22375	0.9
370.12793	0.9
386.16205	4.5
386.23199	100.0
387.15344	0.5
387.23544	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	386.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01845	1.2
55.05505	8.3
55.29617	1.0
57.03429	1.6
57.06812	1.3
57.07066	13.5
58.06580	3.0
59.04996	1.4
61.02919	3.2
64.03361	0.9
69.03426	5.1
70.06564	3.3
70.45393	1.0
72.08132	1.1
73.06540	1.7
81.03401	4.0
81.69421	1.0
83.08602	3.0
83.51569	0.8
85.02894	18.1
89.06019	73.5
90.06332	1.1
90.85438	0.9
91.05431	1.1
97.02873	5.9
97.96823	1.1
99.04432	1.1
101.09637	12.9
107.07043	3.8
109.02852	1.9
127.03893	2.8
133.08588	25.1
137.05962	5.5
137.09503	1.2
145.04912	2.5
145.12207	13.5
151.03862	2.8
151.09628	36.3
167.07065	2.8
169.07124	0.9
178.04979	2.3
181.04955	5.8
191.07013	1.6
201.63429	0.9
206.04457	5.8
207.15887	100.0
208.16238	4.3
233.07994	1.4
245.07587	1.1
248.80000	0.9
249.09076	1.0
249.83594	1.1
251.23857	1.0
265.08578	1.6
267.10004	1.0
292.10968	1.9
308.10010	1.0
312.11911	1.0
323.12744	4.3
368.18442	2.3
386.15845	1.2
386.23242	4.4
387.14246	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	386.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.3
58.06589	0.4
67.05497	0.3
71.43616	0.3
78.98306	0.2
81.07040	0.4
95.08577	0.5
107.07339	2.5
108.08091	0.4
117.62543	0.2
121.08929	0.4
132.08101	0.7
133.08893	0.3
146.09642	0.4
160.11208	2.0
174.12811	0.3
176.10677	0.8
186.12793	1.1
190.12306	0.6
191.12962	0.4
200.14268	0.4
204.13834	3.1
216.13756	0.3
217.14496	0.4
218.15427	0.9
228.17407	0.5
230.15341	1.3
244.16995	0.5
254.08206	0.3
258.18677	0.2
272.20016	1.2
284.23422	0.3
328.22559	0.3
328.26251	0.8
333.70508	0.3
342.28085	0.4
342.31519	10.0
343.31833	0.7
343.94833	0.2
368.32990	0.2
377.26453	0.3
386.34109	100.0
387.34467	8.5
387.39633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52810	0.5
56.96562	88.6
69.03406	0.8
70.06599	0.9
71.42667	0.5
73.02979	0.5
74.97613	1.8
78.98635	0.7
84.96043	2.0
85.02892	1.1
98.97575	3.8
108.96024	1.7
110.97604	0.6
116.98639	0.9
119.76653	0.5
122.97549	6.3
124.99122	0.9
126.97037	1.9
131.00192	0.6
140.98582	20.1
143.00137	4.2
144.98100	2.1
146.99651	1.5
150.97060	1.3
158.99644	33.0
160.86639	0.5
161.01199	12.6
164.07036	1.6
168.98038	8.3
177.00708	9.9
179.02252	5.3
182.98854	1.2
186.99130	78.2
187.99535	1.6
189.00789	1.2
201.00632	0.6
205.00188	100.0
206.00558	1.9
207.00270	1.0
210.00908	1.1
212.97029	5.4
216.98708	0.8
219.01802	1.8
223.01248	8.2
228.01848	1.6
230.98099	38.9
231.98392	1.3
234.00436	1.1
234.99788	0.8
237.00070	0.9
246.00476	2.0
248.99167	94.2
249.99564	2.2
253.99706	1.2
255.01465	0.8
267.00229	16.6
272.00793	1.5
288.97900	0.6
299.00711	1.3
324.98599	0.9
342.99487	1.8
368.97525	1.2
386.98785	3.9
404.99619	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	387.1432
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
52.12096	0.4
53.03913	0.5
54.49920	0.4
55.01855	1.3
56.74805	0.3
65.03929	2.5
66.04699	0.8
67.05476	1.7
69.03430	0.6
72.49796	0.4
77.03911	0.7
79.05494	2.5
81.03402	1.0
81.07032	0.5
81.34080	0.3
81.42522	0.4
82.04177	0.7
85.02909	1.9
90.04619	0.4
91.05480	2.1
93.03359	0.5
93.06970	0.4
94.04171	3.4
95.04961	2.6
102.04640	0.4
103.00880	0.4
103.04750	0.8
103.05449	14.1
105.03342	1.0
105.04507	0.9
105.07028	2.1
105.80434	0.3
106.04187	0.4
107.04915	2.5
108.02091	1.1
109.06498	0.5
110.03638	0.8
111.04419	1.0
115.05447	3.1
117.07004	2.6
118.04135	3.4
119.04928	1.2
120.05690	0.7
121.06492	0.6
122.03632	9.2
123.04386	1.4
124.05195	0.5
125.05980	1.1
130.04128	1.3
131.04903	11.7
132.05649	0.6
133.02818	1.3
133.06488	1.9
134.03658	0.7
135.08035	0.8
137.05951	100.0
138.06300	2.3
141.05421	1.1
143.04927	3.6
145.06439	3.3
146.03616	0.9
147.04390	0.5
147.07973	0.9
148.05165	8.0
149.05971	0.9
151.03885	31.8
151.04974	3.1
152.04251	0.9
153.05452	1.4
155.05980	1.1
159.04346	0.5
161.05933	1.3
163.07506	12.9
164.07814	0.6
165.05363	0.9
165.09071	0.5
167.07022	13.1
167.08444	0.7
168.07381	0.5
171.04369	0.7
171.06494	1.3
173.05963	3.8
175.07535	1.6
176.04619	1.0
177.05327	0.6
177.08939	0.4
181.04922	24.7
182.05243	0.8
191.07002	43.3
192.07327	1.7
193.08604	1.1
195.06378	0.7
203.06987	2.2
205.06581	0.7
205.08563	2.8
206.07130	0.4
207.10126	0.7
209.08075	1.5
217.08475	0.4
219.07906	0.6
219.10037	0.5
222.06735	0.4
233.05962	0.4
233.08060	2.5
234.06644	0.9
234.08742	0.4
235.07411	0.7
235.09602	2.8
236.10022	0.4
237.09007	0.5
238.09570	0.6
241.08333	0.5
249.09070	0.9
250.09483	1.1
263.09131	0.8
265.08536	0.8
266.08972	1.5
266.82809	0.4
267.09927	0.8
276.07526	0.5
277.08560	0.9
278.08719	1.8
279.09924	0.5
292.10916	0.7
293.08041	0.9
293.11237	2.4
294.08319	3.0
295.09537	0.5
306.88931	0.4
309.10590	2.6
310.11469	0.6
311.12204	0.6
323.12762	1.1
324.09399	0.6
324.13049	8.6
327.11789	1.1
342.14108	0.4
351.12210	1.0
354.06006	0.5
355.11670	1.6
357.08994	0.7
357.13269	11.3
358.13852	0.5
369.13416	0.9
387.14294	26.8
388.14685	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	387.1434
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.99854	0.5
52.45095	0.5
55.01854	1.2
65.03926	3.0
67.05480	1.3
76.25050	0.6
79.05481	1.8
81.03384	0.8
81.07040	1.0
84.87085	0.6
89.89834	0.7
91.05463	1.9
93.03391	1.0
94.04151	2.1
95.04946	2.4
97.06474	0.9
103.05448	13.5
105.03371	1.1
105.07022	2.1
107.04926	2.6
108.02075	1.4
111.04443	0.8
115.05446	3.4
117.06996	2.5
118.04173	4.6
119.04931	1.4
121.06507	1.7
122.03622	8.8
123.04469	1.3
125.05972	0.8
129.06905	0.7
129.20795	0.6
130.04146	1.3
131.04918	13.6
132.05606	0.6
133.02875	1.5
133.06485	2.5
135.08008	0.8
137.05957	100.0
138.03062	0.9
138.06274	2.2
141.05492	0.8
143.04919	2.0
145.05458	0.6
145.06422	3.4
146.03580	1.3
147.08051	1.0
148.05176	9.8
149.05963	0.8
151.03897	35.2
151.05002	3.8
152.04427	0.7
153.05478	1.4
155.06006	1.3
161.05969	1.5
163.07521	14.3
165.05426	1.0
167.06998	12.3
171.06552	1.3
173.05930	4.5
175.07503	1.7
176.04703	1.5
177.05467	0.9
181.04938	27.8
191.07007	47.8
192.07353	1.7
203.06999	2.8
205.08549	1.8
209.08075	1.5
233.08040	2.2
235.09583	2.5
247.07474	0.8
263.09073	1.0
281.11426	0.7
293.07974	0.7
309.11377	0.6
337.10532	0.9
355.11905	1.4
357.13278	10.5
369.13507	0.7
372.12003	0.8
384.83084	0.6
387.14301	23.5
388.14844	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	387.2008
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
50.87399	2.9
52.11089	2.5
52.63123	2.4
52.91434	2.5
53.03949	2.8
55.05497	5.0
57.03439	4.3
58.06332	2.9
58.06579	15.7
61.02925	4.1
64.02767	2.5
67.05495	10.1
69.03416	23.1
69.07056	3.3
70.62369	3.8
71.04967	3.2
72.08141	6.4
79.05479	5.1
81.03419	9.7
81.07050	18.4
85.02891	100.0
85.03413	5.6
85.06515	4.3
86.09682	3.5
91.05469	7.9
93.07043	7.0
95.04960	5.1
95.08598	24.3
95.16783	2.4
97.02881	8.7
97.06558	2.7
99.04469	9.2
105.07029	6.3
107.08545	6.3
108.08126	3.0
109.02818	6.0
109.06496	5.9
109.10140	23.2
113.05988	4.0
119.08561	14.0
121.06505	2.9
121.10142	10.8
123.08055	8.4
123.11686	68.4
125.05954	16.9
127.03893	12.6
131.08568	6.9
137.06018	4.2
137.09586	4.6
145.10112	3.4
147.08015	5.4
147.11655	13.7
147.26576	3.5
149.09589	14.9
151.07513	13.9
161.13254	3.8
163.11116	4.6
165.12747	5.4
167.10672	3.1
181.12183	3.3
189.12785	17.0
191.12421	2.8
203.05278	3.9
207.13756	51.1
225.11121	4.3
225.14745	40.7
237.14856	6.8
254.47849	2.8
308.90753	2.7
333.16895	11.5
343.16846	3.2
351.17935	16.7
353.39206	3.1
369.19312	4.5
370.20032	4.8
387.16074	71.5
387.20209	35.0
388.20541	19.3
388.25650	12.7
412.71991	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	387.201
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
53.03941	2.0
54.76610	0.7
55.05503	1.6
57.03418	3.0
57.07065	1.7
58.06599	5.0
59.04971	0.9
61.02909	2.3
67.05484	2.3
69.03423	25.9
69.07059	1.0
69.48372	1.5
69.48781	2.3
71.04980	2.5
72.08134	3.5
72.08485	0.8
73.02903	2.3
79.05489	1.9
81.03418	6.0
81.07049	11.5
83.04977	1.8
85.02893	100.0
85.57520	0.7
86.03233	1.8
86.09702	3.8
87.04446	2.0
89.18830	0.7
91.05460	1.4
93.07027	2.3
95.04990	0.8
95.08600	6.7
97.02891	5.0
97.03387	0.9
99.04436	2.6
105.07012	3.1
107.08556	2.5
109.02892	1.9
109.06516	1.7
109.10148	9.0
111.04427	1.3
119.08572	5.2
121.10133	3.5
123.08070	2.7
123.11692	49.7
124.12001	1.4
125.05977	57.7
126.06276	1.2
127.03896	5.9
128.06213	1.6
129.07008	0.9
131.08601	0.9
133.10115	1.1
135.11690	2.2
137.05949	1.0
137.09569	0.9
139.07529	10.4
145.04915	1.2
145.10123	2.9
147.08047	1.8
147.11699	6.0
149.09579	5.8
151.07521	6.4
161.09758	1.1
161.13245	4.3
171.11684	2.0
174.10298	1.2
189.12741	8.8
207.13780	37.5
208.14096	1.3
225.14822	88.2
226.15154	5.1
310.21631	1.6
312.08698	0.8
312.12567	1.0
313.09354	0.8
325.19348	1.0
333.17001	3.9
339.07150	0.9
342.13364	1.5
344.14868	5.4
351.18018	3.7
356.21979	0.9
369.11612	1.4
369.19092	1.6
387.20071	57.0
388.13715	1.9
388.20770	11.4
388.24976	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	387.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
57.07068	16.4
58.06585	8.9
58.07375	2.0
67.05472	9.2
67.82606	1.9
71.04966	6.2
71.08611	8.3
72.08144	35.2
77.81842	2.2
79.05476	7.5
81.07050	14.4
85.05960	2.0
85.06500	3.4
89.92592	2.3
91.05451	12.9
93.07011	20.6
95.04955	2.9
95.08591	10.8
103.05430	3.7
105.07003	8.3
107.08583	6.6
109.06496	9.9
109.10102	4.1
111.04427	2.4
117.06976	4.7
119.04887	2.2
119.08556	14.7
121.06499	4.8
121.10105	4.3
123.08019	4.8
129.06927	2.1
131.08557	2.6
133.10117	5.6
135.08025	3.4
136.05182	5.4
137.05923	7.4
137.09564	4.2
139.07498	2.4
145.06448	2.9
145.10098	9.5
151.07501	9.8
154.06197	20.1
156.17383	10.8
157.04907	2.4
157.17717	3.7
159.11569	4.1
161.13205	2.3
163.07526	2.5
165.09067	2.7
167.06950	7.9
169.08585	9.3
170.19052	2.6
174.06738	4.2
175.07564	4.0
178.90515	2.4
181.08548	7.5
182.05695	7.9
183.06544	5.3
191.07016	3.0
194.71036	2.4
195.06523	5.7
195.10158	3.5
196.07330	2.9
197.08054	95.6
198.08400	2.9
201.08969	2.3
203.14160	2.3
205.08496	2.7
212.23666	11.2
213.24023	2.9
221.08099	5.1
226.25089	2.5
233.11702	4.1
235.09593	13.2
237.11154	8.3
261.11108	3.9
275.12735	5.8
303.15768	6.6
313.93048	2.4
324.36176	30.4
325.36542	26.6
329.17389	3.6
386.34723	5.0
386.39865	100.0
387.21365	7.3
387.34567	11.8
387.40109	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2499
Annotation	Bufalin
Peak:m/z	Relative Intensity
51.87189	1.0
58.06590	1.6
60.93086	1.0
67.05476	1.4
69.07036	1.5
69.48632	2.1
69.49016	2.7
70.06560	1.1
81.07053	1.7
119.08559	1.3
133.10103	1.4
196.81978	1.3
200.10081	1.1
280.95901	1.3
309.24423	1.2
328.61966	1.2
356.09235	1.3
386.39853	3.5
387.24997	100.0
387.40100	2.2
388.25235	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	388.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	1.0
69.22499	3.8
72.25728	0.5
73.25362	0.5
85.02894	2.0
87.00851	0.6
90.18966	0.7
91.61086	0.6
97.06540	1.0
98.22713	1.3
103.05442	0.7
121.06576	0.6
123.08061	0.8
124.88219	0.6
127.03896	1.5
137.05952	3.2
138.06267	1.1
149.05580	0.7
151.03850	2.0
152.04221	1.0
163.07527	1.0
167.07045	2.4
168.07338	1.0
181.05005	4.5
181.06468	1.1
182.05354	1.4
191.06998	1.4
192.07361	1.5
194.07091	0.7
195.07999	1.5
200.38953	0.7
210.06580	0.7
211.07466	1.0
221.43710	0.7
222.06622	0.9
223.07526	1.5
224.08287	0.6
225.09056	2.1
226.06367	0.7
235.07268	0.7
237.05363	1.4
238.06197	1.0
239.06982	4.9
240.07611	1.0
241.08499	2.3
251.07010	2.5
253.08606	5.7
254.05730	1.7
266.09293	1.6
267.06525	0.9
268.07217	3.5
269.08060	5.3
279.06512	1.4
280.09628	1.4
281.08032	21.2
282.08362	2.0
282.11005	1.4
283.09595	28.9
284.10120	1.7
295.09586	1.2
296.09720	0.8
297.07523	16.2
298.08136	1.1
309.11166	0.8
310.11047	1.2
311.08801	3.8
312.09869	10.6
313.10031	0.7
326.13791	26.4
327.12186	100.0
328.12634	6.7
358.13483	0.9
370.12787	44.3
371.13223	3.4
381.42960	0.7
388.14594	2.2
388.25043	3.1
389.15948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.9
58.90633	0.3
69.19469	1.6
75.74045	0.4
129.90312	0.3
165.07053	0.9
167.08612	0.7
181.06361	0.6
182.07118	0.5
183.08015	0.5
195.07985	0.4
209.06007	0.5
210.06700	0.7
211.07527	0.5
224.08173	0.4
225.05449	0.9
225.09106	1.0
226.06065	0.4
227.07008	0.9
239.07051	1.8
240.07751	0.6
241.05049	0.5
241.08574	0.7
242.05754	0.5
251.06934	1.1
253.04890	0.7
254.05605	0.6
254.53778	0.4
255.06421	0.7
257.08072	0.7
267.06427	3.5
269.08105	1.8
270.05148	0.9
271.09824	0.4
279.06458	0.7
281.04407	1.1
281.08060	1.1
282.04880	0.4
282.07809	1.1
283.05911	0.7
283.08878	0.4
284.06528	0.8
284.09460	1.1
285.07532	4.2
294.07657	0.5
295.05951	1.6
296.09344	0.6
297.07529	18.1
298.04858	0.8
298.07895	1.6
298.10745	3.5
299.09082	16.8
300.06277	0.8
300.09525	1.3
311.08768	1.1
312.08679	4.3
313.06989	17.2
314.07401	1.5
324.12256	0.5
326.10202	4.9
327.08167	6.8
327.11786	0.7
328.09305	14.6
329.09775	1.1
342.13315	7.7
343.11710	100.0
344.12088	7.0
360.14569	2.2
370.12790	27.9
371.13000	2.7
372.12250	0.6
388.14478	1.4
388.21048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58596	0.5
69.13248	2.9
121.36029	0.5
137.05968	0.6
138.09604	0.5
165.07010	0.7
183.08008	0.7
185.29849	0.5
195.08162	0.8
197.05865	0.7
201.09048	1.4
210.06760	1.1
211.07436	1.1
213.09117	0.8
223.07417	0.8
224.08276	1.4
225.05479	0.6
225.09085	1.8
226.06203	0.9
229.08559	1.5
238.06192	1.0
239.06946	1.7
240.07703	1.0
241.08517	3.0
242.05917	0.7
253.08626	1.9
254.05634	0.8
255.06416	0.7
255.10129	1.2
257.08069	9.1
267.06418	1.4
268.07214	1.2
268.10931	1.8
269.08020	4.7
270.05206	0.9
271.05933	0.6
271.09412	0.5
281.08069	1.7
282.08765	1.3
283.09604	1.7
284.10400	1.4
285.07516	6.0
297.07538	6.8
299.05960	0.7
299.08994	3.4
300.09805	1.7
310.08243	0.9
311.09052	1.3
312.09943	2.2
313.07022	31.8
314.07309	2.2
327.08575	2.1
328.09372	41.8
329.09674	2.0
343.11716	100.0
344.12115	5.3
360.14362	17.9
361.14609	0.7
388.13956	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	388.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70242	1.1
53.03940	5.4
55.01871	7.7
57.03415	4.4
58.06580	2.1
61.02925	6.0
66.02108	1.1
67.05460	1.2
68.99792	3.0
69.03419	32.3
69.19553	2.1
69.19957	4.3
71.04980	3.9
73.02906	6.6
73.08431	1.2
74.73940	1.1
81.03406	21.5
85.02894	100.0
86.03258	1.4
87.00819	39.5
91.03941	1.4
91.05488	1.4
97.02880	28.1
99.04438	14.2
105.01855	61.3
105.07021	14.0
108.04449	1.8
109.02864	33.0
110.03094	1.2
117.01849	3.5
124.83215	1.0
125.21944	1.0
126.05494	1.4
127.03896	76.7
127.18498	1.1
128.04201	1.1
129.01840	2.2
137.05974	1.3
145.04944	35.4
147.02843	3.0
150.66740	1.0
159.02899	13.6
171.02878	1.5
186.32651	1.2
189.03961	2.2
191.14075	1.3
195.24174	1.1
213.03947	3.3
231.04955	22.7
233.48782	1.2
248.07602	2.6
249.06021	5.8
260.19583	1.2
283.09634	1.3
313.10522	1.3
326.13947	1.4
327.12347	3.7
341.60779	1.1
370.12827	1.6
388.13794	1.8
388.20969	1.4
388.24954	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	388.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51797	24.1
58.06582	58.6
58.46770	20.4
75.32442	23.6
76.12052	23.6
147.75497	24.6
154.54181	28.7
188.44060	26.9
200.32973	24.7
225.09079	56.6
261.86993	38.8
262.09808	31.5
263.10278	21.7
281.07852	37.0
281.11096	23.9
293.11661	96.9
294.12033	100.0
295.13028	23.2
310.14365	32.9
324.12363	29.5
339.14417	25.6
346.37546	23.1
357.06177	62.5
360.79199	25.9
381.62662	28.9
382.03290	25.3
388.07999	99.1
388.15225	69.6
388.20734	34.9
389.13754	93.4
391.56021	22.4
410.79047	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	388.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	6.5
71.46181	1.3
72.04504	1.4
77.05927	1.2
81.07018	1.5
84.11446	1.2
84.23270	1.3
90.05563	1.7
91.05470	1.7
99.80463	1.4
101.93748	1.4
105.01855	1.5
110.13564	1.3
125.57478	1.3
135.11577	1.4
136.57861	1.2
145.06425	1.6
165.06978	2.0
167.07051	2.3
177.07112	1.5
181.06441	4.0
182.07246	1.7
207.52090	1.4
208.08871	4.2
211.07547	1.9
213.08963	1.7
222.06502	1.8
223.07434	4.2
224.08220	4.9
225.09070	100.0
226.09532	7.0
227.10612	1.5
234.06750	3.0
237.09108	2.2
239.10622	8.3
240.07813	4.8
249.09059	1.7
252.07813	3.5
253.08557	9.3
254.09129	2.0
255.10176	4.2
263.09506	1.8
265.08456	8.1
267.10080	11.3
271.09668	7.5
277.08606	7.0
281.08054	58.2
282.08313	4.2
282.11246	2.1
283.09622	13.0
292.10986	6.8
293.07925	5.6
293.10892	1.7
294.11185	2.2
297.10962	2.1
298.12024	14.9
299.12384	2.4
305.10300	2.0
306.11182	12.1
308.10349	5.6
309.11026	2.1
313.10669	28.6
321.13556	2.3
322.10678	5.6
323.12735	27.0
324.12259	36.6
325.10489	3.1
336.12210	12.2
337.12973	2.0
342.13263	1.9
352.15326	20.7
353.15814	1.9
356.14987	6.4
388.13187	2.5
388.17548	9.4
388.24954	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	388.175
Annotation	Preocoteine N-oxide
Peak:m/z	Relative Intensity
55.90600	2.2
58.06591	2.8
69.84619	7.0
84.46101	1.8
86.88123	1.8
88.80470	1.8
95.04975	2.7
95.30927	2.2
98.22849	3.0
113.00424	2.3
137.05977	5.5
138.06345	3.4
165.07008	3.0
177.06958	2.5
178.07866	3.1
179.08487	2.6
180.08575	2.1
180.73476	1.8
181.05026	3.1
181.06503	3.8
181.43654	1.9
193.06459	3.2
194.07236	2.5
195.08080	7.3
196.08932	2.3
200.10681	2.0
208.08804	4.8
210.10284	1.9
211.07422	3.0
221.06219	2.0
222.06665	9.8
222.10303	5.2
223.07581	6.8
224.08321	6.0
225.09073	68.1
225.11252	4.1
226.09489	5.4
237.09117	19.6
238.09813	15.1
239.10652	19.2
253.08598	10.8
253.12299	5.6
254.09245	2.6
255.10124	3.3
265.08606	49.0
266.09174	6.7
267.10205	8.0
269.11920	2.8
271.09622	7.0
281.08072	31.3
282.08377	2.6
282.11151	2.3
283.09680	6.2
293.08026	32.8
294.08276	3.3
297.11206	14.2
297.16379	2.3
298.11917	4.9
313.10669	41.5
314.10944	2.1
324.12280	10.6
325.10599	53.5
326.11130	3.9
356.14902	11.1
357.13269	3.6
388.17545	100.0
388.24988	3.9
389.17737	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	388.2114
Annotation	Septenine
Peak:m/z	Relative Intensity
56.05022	0.3
58.06584	1.2
67.05496	0.5
69.24075	1.1
69.24473	0.5
70.06577	0.5
70.46049	0.2
71.96577	0.2
79.05493	0.8
80.04973	0.3
81.07029	0.9
91.05462	1.2
93.07039	1.2
95.04953	0.4
95.08607	0.8
104.23769	0.2
105.07019	2.2
107.04951	0.2
107.08600	0.7
109.06503	0.2
109.10159	0.4
117.07008	0.6
119.08580	0.7
121.06447	0.5
121.10183	0.3
129.06982	1.2
130.06482	0.3
131.07681	0.3
131.08534	1.6
133.06444	0.3
133.10123	0.7
141.06961	0.5
143.07524	0.3
143.08531	1.4
144.08084	0.5
145.06432	0.4
145.10089	1.3
147.08009	0.4
147.11691	0.3
148.11069	0.2
155.08540	1.9
157.06549	0.2
157.10123	1.5
159.11665	2.4
160.07562	0.9
161.09583	0.4
165.07062	0.4
167.08559	0.8
169.10168	0.8
171.11723	0.5
179.08533	0.8
181.09999	1.2
183.08150	0.3
183.11667	0.9
185.13231	0.3
187.51831	0.2
191.08469	0.6
192.09395	0.3
193.10118	1.1
195.11678	1.0
197.13266	0.4
203.08620	0.3
205.10092	0.9
207.11600	0.7
208.11140	0.6
209.09596	0.6
209.13297	1.2
210.09058	0.3
211.14786	0.3
217.10095	0.5
218.10918	0.3
219.11644	0.5
221.13284	0.9
223.11139	0.3
223.14775	0.4
225.12640	0.3
226.15877	0.4
229.10750	0.3
232.12485	0.9
235.14835	0.5
237.16322	1.5
239.17946	0.5
247.14777	2.4
249.16553	0.4
254.15211	0.4
254.19075	1.3
264.13702	0.4
264.17490	1.8
265.15762	1.3
265.18259	0.3
267.17511	0.6
282.15231	0.4
282.18484	6.7
282.21695	0.4
283.16467	0.3
283.19119	0.4
292.16910	1.7
293.15115	0.3
300.19513	0.8
310.18002	4.3
311.18256	0.4
325.72873	0.3
328.19019	17.8
329.19394	1.4
342.20572	11.3
343.20728	1.3
352.18921	0.3
370.20062	13.8
371.20352	1.5
388.21109	100.0
389.21457	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	388.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
57.03416	1.0
58.06590	9.3
59.04994	60.6
61.02911	1.5
69.03415	3.3
69.25523	0.8
69.32953	4.4
72.08158	5.4
81.03398	2.4
84.08131	1.9
85.02887	14.1
86.09719	2.2
89.06020	31.1
97.02868	3.5
99.04465	0.9
102.54096	0.8
103.07568	57.0
104.07912	1.0
109.02839	1.3
109.10164	0.9
119.01221	0.8
121.08619	1.7
127.03895	2.3
129.10201	1.5
133.08586	15.7
145.04979	1.7
147.10152	7.1
165.11238	2.0
177.11198	3.1
200.83281	0.8
208.09576	0.9
209.13809	100.0
210.14162	3.1
226.10696	1.1
227.16457	0.9
236.89874	0.9
241.52446	0.8
260.08173	0.9
297.07416	2.5
307.06400	0.9
317.23169	0.9
328.19269	0.9
342.20657	1.6
343.08118	2.2
370.19861	2.6
388.13525	3.6
388.20184	6.1
388.24802	11.4
388.30280	2.7
389.13492	1.5
389.17780	5.0
389.25565	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2478
Annotation	Macrodaphniphyllamine
Peak:m/z	Relative Intensity
53.03930	0.3
55.05505	0.8
58.06596	2.0
60.04511	0.7
61.77459	0.3
67.05501	1.0
69.07062	0.4
69.39600	1.2
70.06538	0.4
72.04507	1.0
72.08147	0.6
74.06074	0.8
78.97370	0.2
79.05494	1.0
81.07043	1.3
83.04981	0.3
83.08610	0.9
84.34772	0.2
85.02892	0.8
85.06521	0.3
86.09707	0.4
88.03984	0.8
88.07620	0.8
90.05555	0.8
91.05466	2.0
93.07043	1.4
95.08598	1.3
98.23461	0.5
99.08099	0.5
102.05531	0.8
104.07106	0.4
105.07021	1.4
107.08599	1.0
108.95776	0.2
109.06515	0.3
117.07013	1.1
118.04983	1.5
119.08588	0.8
121.10129	0.5
125.09629	0.3
128.06152	0.3
129.06963	2.5
131.08563	1.4
132.06551	1.8
133.10098	0.6
135.08015	0.3
138.07201	0.2
141.06979	1.0
143.08534	2.4
144.06523	0.4
145.10075	1.2
149.09593	0.6
151.11192	0.3
154.12285	0.3
155.08537	1.8
156.09204	0.2
157.10149	0.8
158.08150	0.5
159.11646	0.9
167.08575	0.7
168.09219	0.3
169.10112	1.5
171.11658	2.2
173.13235	0.3
181.10034	1.2
182.10872	0.3
183.11662	2.7
185.13280	1.1
195.11737	1.0
197.13206	0.7
199.11113	0.4
209.13263	0.8
209.15356	2.0
223.14755	0.6
225.16359	0.6
251.17972	0.7
265.19504	0.5
281.21365	0.6
294.21841	0.3
323.91910	0.3
326.24881	0.7
328.19104	0.4
340.22672	0.5
342.13327	0.3
342.24454	0.8
356.21927	0.3
358.23691	1.7
370.19489	0.4
370.23734	4.9
371.24280	0.6
388.24832	100.0
389.21472	0.4
389.25162	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	388.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29970	0.6
56.62299	0.6
56.82616	0.7
57.95929	0.6
58.06598	8.7
72.08134	1.1
73.06525	0.8
81.07070	0.8
85.02856	0.8
86.09674	1.6
87.04472	3.9
89.06020	100.0
90.06364	1.3
91.05461	1.4
93.07018	2.0
95.04964	1.0
95.08603	0.8
105.06996	1.3
107.07047	1.6
107.08586	2.0
108.08095	0.7
108.52448	0.7
109.10165	0.6
119.08556	1.4
121.10128	0.9
122.09606	1.1
129.07001	1.2
131.07019	2.0
131.08505	1.1
133.08589	56.5
133.10162	2.7
134.08952	1.4
145.10112	0.8
154.12224	1.1
173.13205	1.2
175.14854	1.2
177.11188	20.7
191.14281	2.3
209.15337	1.9
221.13873	3.5
226.05359	1.1
227.16374	0.7
233.41245	0.8
239.14838	1.3
249.95081	0.7
255.22322	0.8
265.16293	0.8
272.09119	3.2
282.18515	0.8
283.17456	1.9
295.27524	0.7
310.17911	3.1
327.20029	2.0
333.52286	0.7
342.13785	0.9
356.22083	1.4
370.20065	13.5
370.24380	1.3
371.22812	15.0
372.23178	0.9
373.11542	1.5
388.13843	7.8
388.21060	16.1
388.25003	9.6
389.21576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03036	0.6
58.06591	16.1
62.38054	0.6
67.05493	1.1
68.87702	0.7
69.07054	0.8
69.61111	1.7
74.06050	0.7
75.68703	0.8
79.05502	0.7
79.31830	0.7
82.72152	0.7
83.04980	1.0
85.02893	1.2
86.09682	1.6
90.73511	0.7
91.05466	1.3
93.07007	1.5
95.04960	3.8
95.08624	0.7
97.06479	0.7
107.08541	1.0
109.06517	1.4
111.04407	0.8
115.07535	1.1
121.10120	2.7
121.94817	0.7
123.08021	0.8
127.03861	0.9
131.08524	0.7
133.10118	1.8
133.49983	0.7
135.08005	0.8
138.05377	0.7
142.08629	0.8
153.09088	1.5
163.14848	0.8
166.04942	0.8
167.03300	0.9
179.86862	0.7
181.06461	1.2
185.04117	0.9
191.14211	0.9
209.05978	1.3
209.15363	2.0
220.78816	0.7
227.16444	0.7
239.06923	1.0
241.04857	0.9
241.08636	1.5
245.09908	2.4
258.08768	0.8
269.08011	1.4
327.14023	8.3
329.08463	1.0
329.12006	2.6
338.87003	0.7
371.13086	1.2
389.14050	100.0
389.21005	3.9
390.15198	21.3
390.22330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01849	3.3
55.05504	20.9
56.93253	1.5
65.03916	4.5
67.05499	14.6
69.03420	70.6
69.07048	3.9
69.08727	11.7
70.06577	2.6
79.05472	11.8
81.03405	33.5
81.07053	8.9
83.04969	48.5
85.02892	2.0
91.05470	21.8
93.07025	12.3
95.04955	13.8
95.08581	10.3
97.06523	4.0
103.05447	2.1
105.07014	28.9
106.07353	2.2
107.08578	9.8
109.06490	8.5
109.10162	3.0
111.04427	100.0
112.04730	2.7
115.05408	4.1
117.06993	20.1
119.04933	2.7
119.08573	20.3
121.06533	4.6
121.10135	3.3
123.08053	3.4
128.06233	8.6
129.06987	11.5
130.07768	5.5
131.08549	41.7
133.06491	3.2
133.10059	8.4
133.26389	1.8
134.60555	1.8
135.08022	4.7
141.06949	6.9
142.07755	7.1
143.08549	15.4
144.09315	4.6
145.06512	3.2
145.10101	32.4
147.08028	6.1
147.11647	3.3
149.09605	1.8
153.06964	4.7
155.08521	10.4
156.09325	9.1
157.10114	19.5
158.10820	3.1
159.08026	4.6
159.11684	12.1
161.09595	4.8
161.13162	3.3
163.07422	2.1
163.11217	2.0
165.06932	3.9
165.09071	3.0
167.08543	4.5
168.09326	6.0
169.10071	8.9
171.11647	15.0
173.09625	4.5
173.13234	73.6
175.11145	3.3
175.14828	1.7
179.08557	4.6
181.10083	9.0
183.08026	2.4
183.11671	13.4
185.09593	3.5
185.13254	4.4
187.11168	3.5
189.12709	8.5
191.08916	2.1
191.10699	7.4
191.14268	4.7
192.09297	1.9
193.10089	4.8
194.10880	2.8
195.11649	6.9
197.09698	2.1
197.13234	3.2
199.11125	4.3
201.12662	16.7
202.13034	2.3
205.10132	3.1
206.10989	3.2
209.09584	3.7
209.13106	3.6
217.10188	2.8
217.12187	2.5
219.13734	16.8
221.13208	6.1
223.11200	2.7
225.12613	1.9
229.12231	4.1
232.12364	1.9
235.14903	2.1
237.12582	2.2
237.16508	3.5
241.12268	3.9
247.13223	3.7
251.14159	2.1
265.15860	5.2
267.13589	2.5
270.52005	1.8
283.16898	5.2
293.15289	2.3
311.16415	7.7
328.32086	2.8
329.17398	6.3
347.18381	4.8
389.19229	20.7
389.23627	35.8
390.23425	2.1
390.35641	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	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05313	2.0
51.14500	2.4
52.51409	2.4
53.03932	4.8
55.01849	2.6
55.05504	21.6
58.06589	4.6
65.03904	4.5
67.05492	15.5
69.03419	75.8
69.07055	3.5
79.05474	10.7
80.23648	2.2
81.02962	2.7
81.03409	32.8
81.07040	10.2
81.52223	2.5
83.04968	55.5
91.05476	26.5
93.07027	13.6
95.04959	14.9
95.08590	10.5
98.23503	5.4
105.07015	26.7
107.08572	12.5
109.06491	8.2
111.04433	100.0
115.05478	4.1
117.06994	22.9
119.04942	3.2
119.05875	2.4
119.08567	25.1
121.06496	7.7
121.10106	5.5
128.06232	7.3
128.96892	2.4
129.06992	15.5
130.07756	3.0
131.04916	2.3
131.08560	45.2
133.10127	9.1
135.08047	3.7
135.33995	2.3
141.06993	6.5
142.07755	8.4
143.08553	23.6
144.09293	3.8
145.06425	5.3
145.10101	37.5
147.08035	5.1
147.11658	7.1
149.09621	2.5
149.13213	2.8
153.06973	4.8
155.08501	17.6
156.09261	9.3
157.10114	15.8
159.08055	5.9
159.11681	13.7
161.09584	4.5
165.06956	4.9
165.09091	3.0
166.07767	3.8
167.08571	6.6
168.09344	8.8
169.10075	9.9
171.11667	14.9
173.09593	5.9
173.13232	68.9
175.11177	5.6
179.08530	4.3
179.30714	2.5
180.09305	2.6
181.10095	9.5
182.10847	3.6
183.11644	17.5
185.09610	4.2
185.13185	5.4
189.12650	12.0
191.10603	8.0
191.14313	5.7
193.10101	6.5
195.11647	6.6
197.13104	5.6
199.11171	5.8
201.12744	17.4
203.14175	2.9
206.10927	3.3
211.11206	3.8
219.11870	2.7
219.13791	14.3
221.13268	3.4
229.12291	3.4
234.35210	2.5
239.14268	2.7
247.13202	3.0
265.16006	4.5
283.16864	4.2
293.15436	2.9
311.16373	8.3
329.17511	6.0
347.18674	4.4
389.19559	30.1
389.24243	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	389.2164
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
52.51437	3.6
53.83364	4.8
55.05490	4.8
56.94060	3.6
57.03429	6.2
58.06590	35.1
60.04512	4.0
61.02929	3.5
64.80077	3.5
67.05495	9.0
69.03417	14.4
69.49673	16.3
71.04990	11.9
78.24419	3.5
79.05490	7.5
81.03404	7.5
81.07046	14.3
83.04977	6.8
83.96765	3.1
85.02893	29.9
86.09712	5.6
91.05463	13.4
93.07035	13.8
95.04952	37.7
95.08599	10.0
97.02882	11.0
97.06521	7.3
99.04443	16.7
105.07028	19.4
107.08591	21.8
109.02874	3.8
109.06483	19.1
109.10148	18.3
111.08078	4.6
117.06979	4.8
119.08595	11.5
121.06492	6.0
121.10125	21.3
123.08082	10.2
125.06042	4.7
127.03931	5.4
131.04906	8.4
131.08539	5.7
132.04413	3.9
133.07735	3.8
133.10100	17.3
135.08069	6.0
135.11714	6.1
137.05937	21.6
139.11154	4.2
143.08557	6.9
147.11638	19.3
149.09621	8.2
149.13304	5.5
151.07565	8.1
153.09068	12.7
155.08510	4.1
163.07503	6.2
165.12750	5.4
167.07091	4.8
171.10150	15.5
173.13280	12.6
175.07556	15.6
179.06950	6.1
184.07419	4.8
188.07072	4.5
191.07062	4.4
191.14282	11.9
206.04536	5.2
207.06487	7.0
209.15315	24.2
211.07559	4.6
226.06346	5.3
227.16382	59.8
228.16678	4.4
243.06461	6.6
251.07062	4.1
253.22058	3.9
254.05792	11.8
269.08020	17.8
299.09018	8.0
312.19714	6.4
329.19220	7.4
330.07245	4.0
343.20892	9.4
345.09824	20.5
345.15125	15.2
371.20386	8.6
372.25177	6.0
389.14215	30.4
389.21335	100.0
390.15433	35.6
390.22217	12.9
390.26675	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	389.2163
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
55.05510	2.7
58.06592	11.8
61.88177	2.0
67.05489	2.9
69.03402	4.8
69.07065	2.6
71.04978	2.6
71.07108	3.2
71.10180	1.8
77.00984	2.0
79.05487	4.0
81.07045	7.0
83.04990	2.4
85.02873	5.7
85.06554	2.5
86.09685	4.0
91.05474	4.5
93.07025	7.7
95.04958	26.9
95.08611	3.4
97.06531	9.1
99.04453	7.7
105.07030	6.1
107.08566	13.1
109.06540	12.6
109.10165	5.4
111.08083	2.1
115.07558	9.8
119.08571	4.6
121.10123	26.8
124.84533	2.0
125.09652	2.7
131.08527	2.5
133.10112	13.4
135.08064	2.6
143.07248	2.1
147.11652	6.9
153.09099	10.6
163.14813	9.1
167.14377	2.9
173.13252	9.4
181.06427	2.1
191.14299	10.6
209.15321	20.6
227.16293	10.7
327.14081	2.4
328.22650	2.1
329.19421	4.1
358.23837	3.1
372.21692	5.2
389.13800	17.0
389.21518	100.0
390.15509	12.8
390.22385	28.7
390.26349	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	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05514	14.3
57.03429	8.9
58.06588	32.1
67.05494	19.2
68.43944	6.8
69.03428	23.3
69.07063	15.6
69.16489	25.2
69.16894	16.0
70.06605	7.1
73.02938	5.9
79.05482	12.5
81.03432	6.3
81.07049	33.3
81.43610	6.5
83.04979	13.7
84.68944	6.1
85.02908	54.9
85.06516	10.7
89.06020	11.1
91.05482	17.1
93.07032	22.3
95.04963	95.7
95.08595	20.8
97.02896	15.8
97.06526	53.2
99.04438	16.1
99.08115	10.0
105.07039	27.0
107.08591	36.0
108.62835	7.0
109.02898	6.6
109.06509	79.5
109.10172	23.1
109.60257	7.9
111.08103	12.1
115.07579	25.9
119.08568	31.4
121.10125	39.5
123.08024	11.2
125.09627	9.9
127.04019	7.7
131.08565	18.2
133.10115	75.2
134.10901	7.1
135.08034	19.4
136.87979	7.1
137.05946	8.8
139.11107	7.7
143.08528	6.3
147.11653	44.4
149.09674	8.8
149.13246	12.9
151.11197	8.3
153.09096	33.5
163.14806	13.9
167.14264	6.7
167.92873	6.7
171.10158	20.1
173.13257	34.9
174.13469	8.0
181.69449	7.6
191.14284	39.4
209.15335	100.0
210.15796	7.6
227.14310	9.0
227.16364	62.7
256.19647	7.3
356.15686	7.2
357.05276	7.7
389.16013	11.9
389.21567	20.9
390.15543	18.7
390.22485	18.7
390.26755	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	389.2163
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
55.05495	2.9
58.06595	11.5
67.05475	3.2
69.03416	2.5
69.07047	5.0
69.10592	2.2
69.18536	7.0
69.18948	5.7
71.04965	2.6
73.31237	1.9
75.04129	1.6
75.07260	1.8
79.05482	3.6
80.00603	1.9
81.07045	4.3
83.04961	2.6
85.02891	7.4
86.09693	5.1
88.41557	1.8
91.05456	5.7
93.07031	5.1
94.28744	2.0
95.08585	6.0
97.02852	2.2
98.22704	5.0
105.03402	2.4
105.07014	4.4
107.08597	12.2
109.06451	3.8
109.10137	3.8
117.06956	2.7
121.10128	13.3
127.11169	8.9
131.08516	2.2
133.10100	9.2
135.08031	4.2
135.11691	5.1
137.09599	4.4
137.13211	3.7
145.10094	2.6
147.11681	2.4
149.09570	21.4
149.13197	6.7
163.14841	3.7
165.12704	4.0
173.13158	7.7
191.14291	11.7
209.15379	18.4
227.16365	34.3
311.18088	2.2
329.19244	7.6
389.21356	100.0
390.15427	4.9
390.22025	10.4
390.26273	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	389.2164
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
58.06593	81.7
64.71372	13.2
67.05479	16.1
69.03378	16.1
69.50718	57.9
73.98202	12.3
74.46286	13.0
79.05495	29.5
81.07054	20.0
83.05009	15.3
85.02898	26.5
93.07004	17.1
95.04936	41.2
95.08592	17.6
97.06493	35.6
98.08643	14.6
98.22719	21.0
99.04436	17.9
103.69326	13.2
105.07005	30.2
107.08569	32.2
109.06490	55.4
115.07610	15.6
119.08593	17.7
121.10078	18.8
131.08582	17.3
133.10115	61.7
143.92593	12.7
146.24562	14.8
147.11716	24.8
153.09056	14.6
163.14841	14.3
172.03857	27.8
173.13219	37.6
175.07600	17.5
191.14256	32.7
192.64975	13.8
204.06543	40.6
209.15375	100.0
227.16342	61.3
345.09601	24.7
389.25400	15.8
390.15475	84.6
390.26620	30.1
405.20657	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	389.2165
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
52.47343	7.8
55.05520	9.8
58.06594	39.9
61.76886	6.7
69.03436	15.0
71.05009	18.4
77.36237	7.0
79.05483	12.0
81.03423	7.5
81.07043	26.0
83.04961	10.7
83.08604	7.3
85.02892	50.0
85.06506	9.3
86.09715	10.4
91.05508	7.9
92.80180	7.5
93.07008	10.1
95.04970	59.0
95.08588	15.4
97.06496	19.9
99.04454	29.5
105.07033	24.9
107.04941	8.4
107.08592	29.1
107.64864	7.2
109.06507	25.5
109.10159	27.4
111.08074	8.5
111.81712	8.4
119.08538	11.0
121.06516	9.8
121.10143	13.2
127.03910	14.4
131.04974	11.0
131.08589	11.3
133.10132	23.8
135.08072	9.1
137.05963	23.6
139.00690	8.0
139.11148	8.2
143.08578	9.9
145.04929	9.6
145.06607	7.1
147.11685	31.6
153.09117	28.4
154.09433	7.7
163.07494	8.2
171.10164	24.9
173.13229	9.6
175.07567	14.3
179.07002	16.2
191.14339	11.9
196.46361	7.5
209.15359	38.5
227.08266	8.2
227.16386	92.0
269.08014	23.8
329.19363	16.2
345.09656	14.3
345.15228	24.1
346.15961	8.0
371.20313	12.4
389.14011	33.3
389.21381	100.0
389.25198	8.4
390.15546	39.8
390.26346	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	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05500	1.9
57.03431	0.6
58.06594	3.8
60.01453	0.5
60.04509	0.9
67.05501	1.5
69.03424	1.6
69.07062	1.3
69.46060	1.1
69.46448	0.8
72.04543	0.5
72.08144	0.6
74.06062	1.0
78.32401	0.4
79.05493	1.4
81.03414	0.6
81.07037	2.2
82.02966	0.4
83.01336	1.2
83.04982	1.0
83.08622	1.1
84.08157	0.5
85.02897	3.3
85.06529	0.7
86.09686	0.9
88.03973	0.6
88.07601	0.7
90.41973	0.4
91.05464	2.3
92.05817	1.1
92.71520	0.5
93.07032	2.9
95.08611	3.0
96.08134	0.4
97.02869	1.1
97.06533	1.3
99.04427	0.6
99.08102	4.5
101.06005	1.4
102.05518	0.6
105.07011	2.8
106.07366	0.6
107.08573	2.7
109.06522	0.7
109.10138	1.6
111.08053	1.0
117.07006	0.9
118.04997	1.1
119.08558	1.1
121.06496	0.5
121.10124	2.9
123.08057	0.7
125.09654	1.2
126.21796	0.4
127.03895	1.1
129.07002	1.6
130.07355	1.1
131.08563	1.6
132.06551	1.1
132.08911	0.7
133.10127	2.9
135.08054	1.0
135.11665	1.3
137.09608	1.0
139.07568	0.9
139.11113	0.6
141.06989	0.8
142.07268	0.8
143.08559	1.2
144.06403	0.4
144.08929	0.8
145.10129	1.0
147.11687	0.5
149.09596	3.8
149.13263	1.4
151.11205	1.1
153.09085	1.1
155.08502	1.2
155.41780	0.5
156.08989	0.7
156.38651	0.4
157.10081	0.7
163.14796	0.9
165.12885	0.5
168.09192	0.5
169.09988	0.5
171.11678	1.6
172.12001	1.5
173.13252	1.6
175.14996	0.5
181.04860	0.7
181.10161	0.6
181.15921	0.5
182.10408	0.8
183.11697	1.1
184.11998	2.2
191.14313	3.2
196.12038	0.7
203.75392	0.5
209.15343	23.0
210.13680	0.8
210.15680	1.1
218.07867	0.5
226.16737	0.5
227.16412	1.9
238.86626	0.5
252.18225	0.8
311.21884	0.6
312.19531	5.4
327.08887	0.6
327.25015	0.6
330.20404	0.6
345.09631	0.8
346.19113	0.4
359.24072	1.8
371.20990	0.5
371.24283	4.5
372.25336	1.8
389.25150	100.0
390.15253	1.8
390.22394	4.9
390.26895	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	389.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01864	5.6
55.05508	100.0
56.39228	5.0
57.03416	6.0
67.05495	15.9
69.07053	10.7
69.10545	33.6
79.05508	25.7
81.07053	49.0
83.04993	7.8
83.08610	62.9
91.05479	20.0
93.07028	16.4
95.04982	6.2
95.08605	19.3
97.10180	6.2
105.07053	15.3
105.70560	5.2
107.04936	15.4
107.08617	12.2
109.02806	5.6
109.06522	19.8
119.08577	8.2
128.06110	5.2
131.08580	8.0
133.10101	22.3
135.08073	13.2
143.08531	7.6
149.02296	8.5
159.08070	8.9
161.09566	8.6
163.07446	6.4
179.10655	11.6
243.17468	13.3
261.18506	11.9
271.16931	13.4
289.17990	76.0
290.18152	7.4
302.69650	6.0
390.29984	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	390.1542
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
57.53673	0.5
58.06598	6.0
60.04550	0.5
60.30476	0.4
69.03409	1.4
71.04985	0.7
72.08144	1.1
73.02933	0.6
79.05491	1.2
81.07048	0.9
82.06578	0.8
86.09685	0.5
91.05490	1.0
93.06993	0.6
95.08611	0.5
96.04469	3.2
96.08108	0.6
98.09691	0.8
105.06994	1.5
107.08568	1.0
115.49895	0.5
119.08662	0.6
120.08161	0.5
121.02824	0.7
131.08575	0.9
133.10081	0.7
149.02335	0.7
160.07535	0.7
167.08533	0.6
169.06525	0.7
172.05157	0.8
174.06580	0.7
175.39294	0.5
177.06744	0.9
181.06416	0.6
186.06674	0.6
187.08693	0.8
188.04492	0.7
188.08289	0.6
195.08044	1.0
197.05957	0.8
198.06801	0.6
199.07568	1.5
201.09155	1.0
202.06087	3.5
209.06029	0.8
210.06639	0.7
210.15756	0.7
211.07619	1.1
212.08249	1.3
213.09033	5.4
215.07021	1.7
218.70110	0.6
225.09071	5.0
226.06279	0.8
227.06906	1.3
227.10670	1.9
228.04030	1.5
229.04918	0.6
230.05585	1.1
237.05482	1.0
239.07018	2.0
241.04897	0.6
241.08568	12.7
242.09097	1.1
243.06514	14.1
243.10162	0.6
244.07121	1.9
252.04260	0.6
253.08583	6.4
254.09096	0.7
255.06494	0.9
255.10072	1.7
255.12607	0.6
256.07266	1.0
259.09705	0.6
265.08536	1.1
267.06290	0.6
268.07071	0.7
269.08154	4.4
270.08914	3.7
271.05923	2.5
271.09500	2.2
273.06097	9.1
273.11053	0.6
274.06824	3.8
275.07666	2.0
279.08850	1.0
281.08154	3.3
283.09705	1.4
284.12967	1.2
285.07544	3.8
285.11099	1.7
287.07950	1.6
294.11227	5.4
295.05862	3.1
296.12869	1.0
297.07510	1.2
299.08994	2.6
301.13239	0.9
302.13733	1.2
309.07599	1.0
311.11835	0.7
312.12167	4.4
312.19534	7.5
327.08560	3.7
329.10159	5.8
330.13336	2.3
330.20535	1.0
331.08087	0.9
340.11667	1.6
341.10214	1.9
344.14792	3.0
345.09625	3.2
354.13428	0.7
358.23828	0.7
358.50037	0.6
359.11258	1.5
372.14438	5.8
372.21741	0.9
372.25479	4.0
389.25085	0.7
390.15414	100.0
390.22455	10.5
390.26767	21.2
391.12088	28.7
391.26682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86956	0.8
56.10668	0.8
58.06593	53.0
69.28637	3.8
69.88095	0.9
115.05426	1.1
115.06223	0.8
128.06233	1.9
139.05418	1.3
141.06964	2.1
143.08528	1.3
152.06139	0.9
153.06972	1.5
155.08566	1.1
156.05656	0.9
157.06497	1.4
159.08098	1.0
165.07008	1.1
167.04927	2.7
169.06438	2.1
170.07425	0.8
171.08018	1.4
174.34601	1.0
181.06427	4.0
183.08116	1.2
184.05161	5.9
185.05846	1.6
185.09592	2.0
186.63124	0.9
187.07504	1.7
195.05579	1.0
197.05962	2.6
198.06879	1.4
199.07555	3.6
208.05232	2.4
209.05962	5.4
211.07494	2.6
212.04691	5.1
213.05402	4.5
214.06404	1.1
215.06973	4.1
223.07790	0.8
225.05484	3.1
226.06195	5.9
227.06854	1.3
228.04102	2.4
229.04929	2.8
236.04709	1.0
237.05493	5.8
238.06172	2.4
239.07011	3.1
241.08540	8.1
242.05713	4.1
243.06508	16.1
244.06868	0.9
251.07079	1.1
252.04024	1.1
253.04904	16.1
254.05702	51.0
255.06145	3.1
257.08081	3.5
267.06528	3.3
269.08041	100.0
270.05490	1.4
270.08453	5.9
271.05948	6.0
280.03558	1.5
281.04324	1.2
285.07547	12.3
286.08069	1.1
295.06100	7.1
299.09140	3.8
312.19479	1.3
313.06992	1.8
324.19217	0.9
327.08615	1.6
330.07288	20.5
331.07455	1.0
342.02115	0.8
345.09647	85.0
346.09946	3.8
372.14761	1.1
372.25467	1.4
390.15424	53.3
390.21979	1.7
390.26517	6.2
391.15793	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	390.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39071	0.3
56.05022	0.7
58.06593	100.0
59.06924	0.9
67.55831	0.3
69.55531	1.3
73.20225	0.4
75.23145	0.3
80.36183	0.3
93.15042	0.3
94.82372	0.3
98.23434	0.7
98.97579	0.5
139.22406	0.3
192.80199	0.3
211.07523	0.7
228.02623	0.8
228.07219	0.4
239.06967	0.7
242.05736	0.4
243.06490	0.6
257.08167	0.4
264.03455	0.6
267.06485	1.1
269.08139	0.4
274.97070	0.3
285.07550	2.0
286.08093	0.6
287.09045	0.4
299.09076	0.5
327.08554	1.8
329.11829	0.5
331.09946	0.5
347.11325	0.7
372.14426	1.5
372.21698	0.9
390.07455	1.8
390.15417	52.4
390.22534	4.1
391.11990	9.7
391.16003	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	390.1544
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
56.05030	0.7
58.06596	100.0
59.06928	1.2
69.35583	1.1
73.41555	0.4
82.17367	0.3
92.46776	0.3
98.23434	0.7
100.64381	0.3
119.83859	0.3
124.90352	0.3
144.22650	0.3
211.07629	0.5
239.07062	0.8
243.06598	1.1
245.08034	0.3
267.06445	0.7
269.08148	0.5
284.07022	0.5
285.07663	0.5
294.58426	0.3
295.06024	0.6
299.09085	1.0
301.10684	0.5
312.12180	0.4
327.08594	3.4
328.22653	0.5
329.10251	0.6
346.23718	0.8
347.11340	0.6
354.20557	0.8
372.14423	2.5
372.21701	0.9
390.15442	62.2
390.22452	5.2
391.15790	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	391.157
Annotation	Chidamide
Peak:m/z	Relative Intensity
58.06583	1.7
58.16904	0.4
59.67435	0.3
66.06280	0.4
66.55392	0.3
69.82990	1.2
70.06571	0.4
77.06401	0.4
81.03425	0.3
84.08104	0.5
85.02910	0.5
91.05444	0.5
98.22796	0.6
105.07066	0.4
119.01904	0.6
120.08082	0.6
135.08063	1.8
137.05940	1.3
143.01819	0.4
145.03424	1.0
149.02336	1.5
155.01833	0.8
161.02876	0.6
164.12683	0.4
165.58400	0.4
166.12231	0.7
173.02957	0.5
185.02927	0.6
277.11316	1.0
335.09393	0.4
361.13464	1.0
364.71738	0.5
373.22232	0.6
374.23022	1.4
390.26276	0.8
391.15573	100.0
391.26132	2.4
392.16138	4.8
392.24155	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	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	2.4
58.06597	1.4
70.06586	10.1
71.08626	1.2
72.08148	0.7
82.94535	1.5
84.08135	0.9
86.09694	1.4
88.07602	2.5
97.39471	0.5
98.22607	1.0
102.09163	1.8
132.10181	4.3
133.10478	0.5
134.39688	0.5
146.11731	3.0
147.12047	0.6
149.02336	0.8
159.41110	0.5
181.04968	1.8
284.29431	3.4
285.29810	2.3
321.16681	1.2
322.17169	0.5
328.32022	10.5
329.32373	8.1
350.17197	1.2
368.18225	1.4
390.35724	28.8
391.24500	100.0
391.35901	28.6
392.24854	7.1
392.36496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	3.1
58.06591	1.2
65.19038	0.5
67.05477	0.8
69.07055	0.6
70.06581	6.3
71.08614	1.2
72.08158	0.6
81.07030	1.6
83.08568	0.7
84.08114	0.7
86.09689	1.0
88.07622	2.8
93.07020	0.8
95.04923	0.5
95.50821	0.6
102.09175	1.6
105.07034	0.8
112.13632	0.5
119.08519	0.6
121.10143	0.6
131.08472	0.7
132.10153	3.0
145.10057	0.5
146.11792	2.7
147.11948	0.5
149.02309	3.5
157.10144	0.7
194.04466	0.6
284.29431	2.5
285.29770	2.1
321.16885	1.3
328.01596	0.8
328.32019	7.4
329.32355	6.2
390.35687	15.7
391.24475	100.0
392.24731	6.6
392.36371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
57.07059	1.0
58.06594	1.3
67.05492	0.6
70.06577	1.5
71.08660	0.5
72.08187	0.5
79.05462	0.6
81.07033	0.9
86.09731	0.6
87.04465	0.5
88.07612	1.3
95.04952	0.6
98.22665	0.8
105.07049	0.8
109.10124	0.6
118.35822	0.5
132.10185	0.9
144.33629	0.5
146.11752	0.6
149.02315	2.9
168.76755	0.6
171.11888	0.6
205.81047	0.6
220.83955	0.6
258.63950	0.6
284.29498	1.2
328.31985	1.5
329.32373	1.7
369.19577	0.9
390.35675	3.7
391.24503	100.0
392.24768	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	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.6
58.06584	0.5
69.94689	0.6
70.06582	1.1
72.08143	0.4
81.07056	0.7
87.49079	0.3
93.07029	0.5
95.04962	0.4
95.08588	0.6
98.23389	0.4
105.07045	0.4
110.99864	0.3
119.08562	0.4
132.10229	0.4
138.81873	0.3
145.10150	0.4
147.11546	0.3
149.02338	1.3
167.03355	0.4
212.02699	0.3
285.29773	0.5
317.20749	0.5
328.32043	0.8
329.32205	0.6
333.94446	0.3
351.18613	0.3
390.35861	2.4
391.24475	100.0
392.20111	0.6
392.24820	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	391.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.0
57.07064	5.7
59.04977	3.7
65.03924	4.2
65.73224	2.0
67.05485	12.1
68.83144	2.4
69.03425	5.1
69.07052	7.2
70.06574	3.5
71.04967	2.4
71.08636	2.7
77.11050	2.4
78.97502	2.3
79.05469	20.9
81.07040	35.4
83.08616	3.0
91.05464	28.0
93.07036	30.8
95.04942	31.4
95.08585	12.5
97.06512	6.3
105.04499	3.2
105.07014	52.7
107.08571	24.0
109.06516	7.4
109.10142	6.9
111.36188	2.3
115.05427	3.9
116.42331	2.6
117.07010	9.6
119.08556	44.3
121.06492	8.4
121.10120	19.7
123.08044	5.6
123.11753	2.5
128.06212	9.3
129.06995	10.6
130.07765	5.7
131.08542	17.8
133.10115	15.2
135.08037	5.3
141.07010	6.9
142.07773	13.5
143.08565	22.4
144.09308	3.1
145.10089	34.3
146.64929	2.5
147.08060	3.9
147.11678	9.1
149.02325	7.1
149.09576	3.5
153.06917	3.4
154.07704	3.9
155.08549	10.0
156.09351	8.6
157.10098	31.7
159.08043	8.1
159.11674	13.7
161.09618	8.6
161.13339	2.7
165.06989	3.3
167.08572	8.2
167.10835	3.0
168.09300	4.0
169.10065	16.4
170.10832	4.1
171.11705	18.4
173.09650	5.9
173.13277	7.9
175.11156	4.5
178.07668	2.6
179.08572	7.7
180.09317	5.9
181.10045	11.5
182.10838	6.3
183.11703	10.1
185.09561	5.5
185.13261	3.3
191.14320	4.2
192.09293	4.0
193.10121	10.6
194.10883	9.1
195.11661	14.4
197.09674	2.4
197.13248	15.0
199.11124	4.6
199.14810	6.3
201.12746	5.6
205.10106	3.6
206.10899	4.7
207.11658	14.6
208.12494	7.1
209.13194	13.2
211.14789	7.8
213.12738	4.6
215.14325	2.7
219.11768	6.4
220.12509	4.7
221.13164	14.0
222.13815	3.5
223.14783	7.5
231.11609	3.8
232.12468	3.6
233.13263	5.8
233.15395	4.6
234.13896	2.8
235.11089	4.2
235.14801	9.7
237.12543	3.3
237.16331	4.1
239.17917	2.6
241.15738	3.8
245.13295	5.4
246.13908	3.3
247.14784	2.8
249.16397	10.5
251.14229	5.0
251.17981	3.1
253.19292	2.4
259.14691	3.0
261.16376	4.6
263.18063	2.9
265.19318	3.7
273.16440	3.0
275.17838	2.6
276.74698	2.4
277.19272	3.6
279.17389	8.0
282.19778	3.3
284.29337	2.6
285.29944	3.6
291.17450	3.3
295.20456	3.4
297.18396	5.3
307.20505	3.9
317.18796	4.6
319.20297	2.4
329.32376	4.0
335.19980	6.8
373.25229	10.5
390.35266	2.7
391.15442	8.2
391.25385	100.0
391.35953	16.5
392.25259	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	391.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93428	1.4
53.03919	2.0
53.09848	1.4
55.01852	7.2
55.05502	97.8
57.03414	4.0
57.07054	2.0
67.05490	14.4
69.03407	2.5
69.07057	5.3
69.32498	1.6
71.04988	2.3
79.05477	26.1
81.03387	2.3
81.07043	58.4
83.04976	12.3
83.08605	40.4
85.02894	4.9
91.05477	13.8
93.07034	15.0
95.04942	11.2
95.08607	9.0
97.06496	3.3
97.10150	5.7
98.98446	1.5
99.04462	1.6
99.08049	4.4
105.03391	1.7
105.07018	10.1
107.04921	4.8
107.08593	10.2
109.06504	16.9
109.10130	7.6
111.04417	12.6
111.08060	6.1
117.07018	12.4
119.08560	20.5
121.06474	9.8
121.10127	7.7
123.08038	4.8
125.09612	7.4
129.06993	4.4
131.08554	7.9
133.10075	4.9
135.08041	4.6
135.11647	7.3
137.09624	1.8
139.11266	1.5
143.08514	3.8
145.06534	1.8
145.10120	13.8
147.08023	11.6
149.02374	2.6
149.09584	3.0
153.12720	4.6
157.10114	2.7
159.08046	1.7
159.11688	4.2
161.09521	7.6
162.33423	2.2
163.11131	8.9
165.09138	1.8
171.11658	1.8
172.78734	1.7
173.09612	3.9
181.12233	7.4
187.11018	1.5
189.11246	5.2
191.10661	5.9
195.65048	1.8
214.88910	1.7
223.13243	6.9
227.12868	7.4
240.42104	1.7
249.14809	6.2
255.17360	3.6
273.18417	21.0
291.19495	100.0
292.19867	8.3
302.89999	1.6
357.11823	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54638	3.2
55.01853	4.0
55.05507	63.4
57.07060	3.6
57.08632	3.3
67.05483	9.5
69.07060	10.2
69.97061	10.8
72.08152	9.4
79.05486	13.5
81.07040	17.1
83.08611	32.8
91.05473	8.1
93.07043	11.6
95.04941	5.8
95.08582	7.2
97.10136	7.2
98.23438	3.8
105.07052	7.1
107.08602	7.9
109.10143	3.8
117.07066	3.4
119.08589	7.1
119.98058	3.4
123.46703	3.1
131.08611	7.7
133.10143	3.4
147.08095	4.9
149.02339	10.7
189.11189	4.5
223.13211	4.1
273.18469	9.3
291.19501	100.0
292.19904	8.6
325.86444	3.8
338.78546	4.0
373.27289	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	392.17
Annotation	Oxostephasunoline
Peak:m/z	Relative Intensity
56.05027	0.4
58.06595	100.0
59.06926	1.1
62.56893	0.3
72.08166	0.3
84.31608	0.3
86.06067	0.7
91.05450	0.3
97.06528	0.4
102.71387	0.3
107.08629	0.3
116.10754	0.3
129.05450	0.4
149.02319	0.7
181.06477	0.4
201.05261	0.6
212.16405	0.4
229.05038	0.5
237.05443	0.6
240.84845	0.4
241.08575	0.3
243.06619	0.4
244.03885	0.4
255.06310	0.4
259.06021	0.7
269.04721	0.3
269.08167	0.5
270.08603	0.4
271.08884	0.8
347.10477	0.9
360.25375	1.1
374.15860	3.0
374.22931	0.6
375.16455	0.3
392.16949	9.9
392.24091	1.5
392.28580	2.5
393.17447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1701
Annotation	Oxostephasunoline
Peak:m/z	Relative Intensity
56.05031	0.5
58.06594	100.0
59.06311	0.2
59.06924	1.2
63.45143	0.2
63.61380	0.2
67.34501	0.2
69.08654	0.4
69.09057	1.0
72.08149	0.7
77.03944	0.2
91.37816	0.2
92.71107	0.2
95.04975	0.6
96.05299	0.4
96.72384	0.2
98.23421	0.5
105.03379	5.2
105.04467	0.2
106.03717	2.6
109.94294	0.2
116.10713	0.2
117.07047	0.3
120.08096	0.4
124.49418	0.2
140.36987	0.2
145.06468	0.3
155.06035	0.3
165.06995	0.7
171.07970	0.2
171.46210	0.2
181.06522	0.2
181.10059	0.2
193.06470	0.6
196.05179	0.2
199.07451	0.3
201.05441	4.9
209.05968	0.3
211.07574	0.5
213.11174	0.3
225.09219	0.3
226.06224	0.3
227.07002	1.0
228.04057	0.2
229.04878	0.4
230.11761	0.4
234.12456	0.3
241.08745	0.6
243.06537	0.2
244.03644	0.5
251.06935	0.3
253.08647	0.3
255.06361	0.3
257.08051	0.3
259.05948	2.0
261.07779	0.3
269.08124	0.3
279.06552	0.3
285.07596	0.9
301.07056	0.7
303.08630	0.5
311.09152	0.6
329.10068	1.5
330.10471	0.2
331.11847	0.3
342.06161	0.4
354.09705	0.2
356.14774	0.3
360.07336	0.5
360.25305	0.9
361.16312	0.3
374.15933	26.1
375.16302	2.2
392.16803	3.7
392.27988	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	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
58.06571	6.5
60.01504	1.6
69.03407	3.9
69.55409	6.3
70.06560	2.7
73.09177	1.7
79.05454	6.1
80.66077	1.6
81.03413	1.8
84.08125	2.3
85.02896	11.9
91.05455	3.3
93.07030	3.8
95.04929	3.2
95.08586	1.7
97.02849	2.2
97.45152	1.5
103.05424	4.3
105.06982	5.5
107.04269	3.4
107.04941	46.2
107.08531	1.6
115.05450	3.0
116.07044	2.2
117.06998	2.8
129.06946	2.3
131.04861	2.7
131.08536	3.2
135.08054	12.2
137.06001	2.1
138.06274	2.3
143.08496	1.8
149.05908	4.1
151.03862	3.9
163.07507	36.7
164.07849	2.3
167.07013	100.0
168.07314	3.6
169.10016	2.4
177.05399	2.4
177.87300	1.8
180.07716	2.5
181.10065	2.8
195.10136	27.8
197.13155	2.0
213.11189	94.8
214.11453	4.9
216.08673	2.0
227.06787	2.8
230.07802	1.7
267.17499	2.4
282.18408	2.2
296.19614	2.0
300.11206	2.2
307.01733	1.8
314.20956	6.0
329.35162	1.8
332.22049	4.4
360.25299	8.6
374.23358	13.3
392.23959	72.8
392.27890	10.3
393.16196	2.0
393.20782	31.2
393.25189	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	392.2426
Annotation	Pentagydine
Peak:m/z	Relative Intensity
50.72300	0.3
51.96057	0.3
56.05014	1.2
57.32227	0.3
58.06594	8.4
66.51061	0.3
67.05498	0.4
70.05196	0.7
72.08150	2.3
79.05469	1.0
81.07051	0.6
84.08154	0.7
91.05455	1.2
93.07034	0.6
95.04956	0.6
96.68967	0.3
98.09668	2.4
105.07023	1.6
107.08563	0.5
109.04068	0.4
110.09657	2.3
117.06998	0.6
119.08575	0.6
121.08839	0.3
122.09642	0.9
123.04431	0.3
124.11222	2.2
129.06996	0.6
131.08551	0.8
133.06487	0.4
133.10123	0.7
139.07440	0.3
141.06947	0.4
143.08525	1.4
145.10129	1.0
153.05411	0.3
155.08498	0.7
157.10133	0.8
169.10115	0.9
171.11676	0.4
173.13284	0.3
180.36209	0.3
181.10146	0.5
183.11642	0.4
185.13271	0.4
192.09282	0.3
209.13316	0.4
212.75441	0.3
247.14748	0.4
255.13829	0.5
294.22272	0.5
310.21710	1.7
310.24866	0.3
311.16528	0.5
312.23132	0.6
328.18896	0.4
328.22690	5.1
329.23105	0.7
346.20084	0.6
346.23849	1.4
356.22141	4.8
357.22531	0.6
364.49216	0.3
374.23218	24.8
375.23553	1.7
392.24249	100.0
393.24588	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	392.279
Annotation	Sachaconitine
Peak:m/z	Relative Intensity
56.05031	1.2
58.06592	8.2
61.02914	0.7
67.05495	0.9
69.07041	0.6
69.18710	1.8
71.01350	0.4
71.04983	0.6
72.08144	2.0
79.05479	1.0
81.07034	1.5
84.08144	1.5
86.09691	0.5
91.05476	1.5
93.07040	1.1
95.04956	0.4
95.08590	0.8
103.03912	0.3
105.07013	2.2
107.04956	0.7
107.08572	0.8
109.06506	0.3
109.10156	0.3
110.09684	1.5
117.07011	0.6
119.08549	0.9
120.23360	0.3
121.02825	1.3
121.06532	0.3
121.10116	0.4
122.09677	0.5
123.04439	0.5
123.08060	0.4
123.30705	0.3
124.11220	2.0
129.07010	0.6
131.08589	1.1
133.10117	0.4
137.05986	0.8
141.06973	0.4
143.08551	1.3
145.10124	1.1
147.11641	0.5
155.08533	0.8
157.10126	1.1
159.11682	0.4
169.10121	1.0
171.11662	0.6
173.13153	0.4
181.10098	0.7
183.11690	0.7
185.13225	0.6
195.11690	0.7
197.13182	0.6
199.14841	0.6
203.92828	0.3
209.13264	0.9
211.14792	0.4
223.14809	0.4
225.16122	0.3
227.14346	0.7
233.09624	0.4
235.14859	0.3
237.16356	0.5
253.16071	0.3
267.17487	0.3
300.19754	0.4
300.22946	0.3
310.21649	0.7
314.20999	0.4
326.08698	0.3
328.22763	1.6
329.23291	0.3
332.22156	0.8
342.24295	1.9
357.81619	0.3
360.25262	27.7
361.25476	2.6
374.23053	0.6
392.27908	100.0
393.23395	0.6
393.28238	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	392.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.1
57.27398	0.7
58.06595	9.4
58.38137	0.6
63.06939	0.7
67.05495	0.7
69.55589	1.5
69.55953	1.2
70.06604	0.9
72.08143	1.9
79.05485	2.3
83.67221	0.6
84.08144	1.9
91.05486	2.1
95.04967	1.8
95.08628	0.7
100.11250	2.5
100.33150	0.6
103.05469	2.0
105.07029	11.5
110.09722	0.7
120.05744	1.0
124.11180	1.2
131.08514	0.9
135.08040	86.0
136.08447	1.9
145.10094	0.8
149.02306	1.1
166.12253	35.4
167.12561	1.0
169.10257	0.8
171.11736	1.1
181.10068	1.0
217.66727	0.6
227.17619	2.4
231.11890	0.9
265.47754	0.6
297.62259	0.7
328.19250	0.8
328.22751	2.1
356.22217	4.1
374.19775	0.9
374.23273	20.6
375.23413	0.9
392.24377	100.0
393.17062	7.3
393.24734	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	393.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	53.6
58.06597	12.4
62.53936	0.9
69.24873	4.8
69.25169	1.2
71.22122	0.8
74.25680	0.9
84.96020	2.0
98.22626	1.1
98.97574	66.7
108.95969	1.7
110.97565	21.0
116.98608	20.9
122.97527	10.0
124.99089	5.4
128.97604	1.3
128.98587	18.3
128.99498	1.3
134.99646	3.8
140.98573	22.2
143.00154	10.4
146.99637	7.0
150.96982	4.5
158.99635	29.6
161.01184	9.8
168.98059	28.2
170.99646	16.8
177.00706	13.9
179.02277	2.6
185.01186	1.1
186.99124	100.0
187.99525	1.8
189.00691	18.4
189.93776	0.9
194.95987	1.6
201.00729	2.5
203.02277	3.3
205.00185	65.8
206.00557	1.3
207.01700	1.8
212.97035	18.8
215.02017	1.1
219.01727	6.4
223.01155	4.9
229.00169	23.2
230.98097	61.0
231.98518	1.0
237.02785	14.0
247.01241	15.1
248.99162	89.7
249.99541	2.0
254.98056	4.3
255.03911	6.5
259.01285	5.2
267.00229	8.8
271.01343	1.6
272.99139	77.4
273.99512	1.8
277.02386	2.4
281.05463	1.6
284.99039	6.7
291.00195	43.7
292.00708	1.1
296.33310	0.9
303.00189	23.5
315.00229	3.2
317.06152	0.9
321.01227	5.7
333.01276	11.1
345.01340	2.2
349.04092	2.2
374.22989	2.8
375.02200	7.7
375.23499	2.0
376.24973	4.1
392.24323	22.7
393.03351	15.7
393.11139	6.2
393.24640	8.9
394.21249	1.3
394.25897	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	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91333	0.4
57.07072	6.6
57.41628	0.4
58.07398	1.5
67.05496	1.0
67.61244	0.4
68.13210	0.4
76.51498	0.4
93.07037	0.7
95.08603	0.4
105.06998	0.8
107.08591	0.7
119.08524	0.5
143.08615	0.5
145.10146	0.6
208.11592	1.0
224.13945	0.5
225.14215	0.8
296.85535	0.4
308.19681	1.5
309.20016	4.0
344.01599	0.4
375.24625	4.3
376.25671	0.6
393.26044	100.0
394.26434	7.7
406.78027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91333	0.4
57.07072	6.6
57.41628	0.4
58.07398	1.5
67.05496	1.0
67.61244	0.4
68.13210	0.4
76.51498	0.4
93.07037	0.7
95.08603	0.4
105.06998	0.8
107.08591	0.7
119.08524	0.5
143.08615	0.5
145.10146	0.6
208.11592	1.0
224.13945	0.5
225.14215	0.8
296.85535	0.4
308.19681	1.5
309.20016	4.0
344.01599	0.4
375.24625	4.3
376.25671	0.6
393.26044	100.0
394.26434	7.7
406.78027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01870	2.0
55.05504	23.6
57.07063	13.4
59.04986	3.2
60.00493	1.5
65.03932	5.9
66.10866	1.9
67.05498	47.7
69.03423	3.8
69.07059	22.5
71.04976	2.7
71.08253	1.8
71.08622	7.9
74.07186	1.7
77.03909	5.5
79.05482	42.8
81.07046	68.5
83.04988	5.4
83.08598	8.6
85.06545	4.6
85.10165	2.7
86.77508	1.9
89.06023	4.6
91.05466	67.8
93.07033	83.1
95.04954	68.0
95.08597	54.6
96.05273	2.4
97.06511	11.5
98.22625	3.8
98.98457	6.9
99.08061	2.0
103.05450	8.4
105.04524	5.0
105.07014	100.0
106.07327	4.6
107.04946	2.1
107.08576	57.5
108.00425	2.0
109.06516	17.9
109.10140	29.6
111.08071	4.0
115.05425	6.6
117.07011	22.4
119.08566	94.2
120.08916	3.4
121.06486	20.9
121.10128	43.2
123.08085	6.9
123.11688	14.1
128.06180	15.8
129.06984	17.7
130.07767	9.1
131.08559	43.0
133.06508	2.6
133.10101	51.7
135.08069	6.1
135.11667	22.8
137.09621	4.4
139.11224	3.9
141.06976	7.6
142.07739	23.4
143.08554	35.1
144.09334	12.0
145.10107	70.6
145.11212	4.2
146.10394	4.8
147.08017	5.6
147.11667	25.8
149.09595	4.0
149.13220	5.2
153.06918	3.8
154.07739	5.0
155.00999	10.2
155.08507	14.2
156.09329	12.8
157.10110	58.5
158.10690	5.5
159.08032	5.1
159.11679	44.3
161.09608	19.2
161.13280	9.8
163.11119	4.0
165.06996	4.1
167.08585	7.1
168.09305	4.4
169.10106	23.6
170.10864	6.3
171.11658	27.1
172.12407	4.1
173.09651	4.0
173.13252	18.3
175.11197	8.7
175.14786	17.4
177.12840	2.4
179.08537	5.5
180.09279	2.4
181.10095	10.2
182.10883	4.4
183.11650	20.6
184.12419	2.3
185.13231	14.6
187.11174	5.6
187.14719	9.7
189.12697	3.0
193.10124	5.6
194.10918	5.4
195.11658	15.0
196.12401	2.7
197.13260	15.3
199.11194	3.3
199.14813	7.4
200.15135	2.1
201.12712	2.8
201.16368	8.2
203.14169	3.0
207.11719	5.8
208.12416	2.2
209.13173	12.9
210.14116	3.2
211.11084	2.2
211.14760	10.2
212.15445	2.6
213.16348	4.3
217.15846	2.8
219.17458	3.5
220.12317	3.6
221.13232	5.8
223.14761	8.5
224.15158	1.9
225.16344	6.1
235.14848	5.6
237.16296	4.1
239.14363	3.1
249.16478	2.1
251.17891	2.8
253.15817	6.8
256.18015	2.0
263.17950	3.2
265.19534	3.2
340.60452	2.2
375.26672	5.5
393.27957	12.6
394.27286	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01857	3.5
55.05506	100.0
55.83100	0.9
56.05828	1.5
57.03420	1.3
57.07067	5.3
67.05493	14.5
69.03426	0.9
69.07066	6.3
71.04962	2.2
71.08622	3.5
77.90313	0.8
79.05480	11.6
81.03428	2.2
81.07049	13.4
83.04970	6.0
83.08611	52.2
84.08955	1.0
85.02897	2.4
85.06527	1.2
85.10175	2.0
89.06011	4.0
90.80585	0.8
91.05474	8.0
93.07037	11.2
95.04958	33.6
95.08605	9.8
96.05264	1.0
97.10149	9.7
98.98463	3.1
99.04449	1.5
105.07026	10.1
107.04935	3.5
107.08575	11.9
109.06515	2.4
109.10156	7.1
111.04401	6.3
111.08086	2.9
111.11637	1.1
117.07010	3.6
119.08566	7.3
120.06631	0.8
121.06492	3.6
121.10147	6.1
122.11317	1.0
123.08059	2.4
125.09613	10.2
129.07021	1.7
131.08594	5.7
133.08586	1.4
133.10106	4.4
135.08014	4.0
135.11661	3.2
137.13243	1.0
139.11107	1.2
143.08549	1.7
145.10106	8.5
147.08000	2.5
147.11646	4.7
149.09598	16.7
153.09055	1.6
153.12749	1.2
155.01030	5.0
156.55396	0.8
157.10191	1.6
159.11705	3.7
161.09683	1.3
161.13263	1.2
163.11148	11.2
169.10088	1.3
171.11671	1.2
173.13263	2.1
175.11086	1.0
177.12682	1.5
181.12154	1.2
187.11140	2.3
189.11197	15.3
189.12778	1.3
191.10603	1.2
195.12256	4.3
205.12215	3.1
206.41090	1.0
211.13199	1.0
223.13252	33.5
224.13649	0.9
229.19467	1.0
237.14813	1.2
239.17937	2.0
247.20586	1.2
257.19049	4.4
275.20035	40.6
276.20309	2.3
293.21054	45.3
294.21475	2.7
305.20740	1.1
311.22113	1.3
365.21201	1.0
375.28735	2.1
393.30106	1.3
394.25974	1.3
407.45053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1281
Annotation	Dihydromacarpine
Peak:m/z	Relative Intensity
58.24802	0.3
67.05503	0.4
71.20287	0.4
71.55424	0.3
83.04963	0.3
136.07602	0.4
169.57924	0.3
176.81052	0.3
180.72668	0.3
216.08057	0.3
220.07515	0.9
221.08276	0.5
233.08344	1.1
234.09093	1.1
236.07016	0.5
246.09061	0.7
247.09872	1.1
248.07048	2.6
249.07816	2.9
250.08647	0.8
252.10139	0.7
260.07034	0.6
261.07889	2.0
262.08582	3.5
263.09338	7.8
264.06641	0.9
264.10135	4.8
265.07236	1.7
274.08536	0.5
275.09387	0.8
276.06555	1.6
276.10159	1.3
277.07626	1.8
277.10696	2.1
278.07996	1.9
278.10776	0.3
279.08859	1.4
280.09616	4.3
289.07227	0.5
290.08054	3.3
291.08835	4.7
292.09613	21.2
293.06918	0.6
293.10187	2.4
294.11191	7.1
303.08911	0.7
304.06146	0.5
305.06738	0.5
305.10345	0.4
306.07553	1.1
306.11206	1.4
307.08383	1.5
307.11978	6.2
308.09100	8.1
308.12253	0.6
309.09454	0.6
318.07504	1.9
319.08344	0.8
320.09116	7.5
321.06345	0.9
321.09607	0.7
322.10690	13.4
323.11328	2.9
334.07166	0.5
334.10687	3.1
335.08011	0.7
335.11432	12.7
336.08493	3.2
336.11911	0.5
337.12952	2.1
338.09787	0.6
338.13815	12.6
339.14218	0.8
348.08569	11.2
349.09207	0.6
350.10150	13.5
351.10834	6.1
352.11438	0.4
362.10242	0.5
363.10944	1.8
364.08075	2.3
366.13257	0.9
378.09744	0.6
379.10364	3.1
394.12775	100.0
395.13083	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	394.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26177	0.2
55.05503	1.1
58.06588	0.2
60.64338	0.2
67.05486	0.3
68.96582	0.1
69.62280	0.7
72.08147	0.4
81.07020	0.2
82.79317	0.2
88.66672	0.2
89.03867	0.9
91.05479	0.3
95.04951	0.2
95.08630	0.2
99.00010	0.2
103.05463	0.8
109.10111	0.2
118.04137	0.4
121.10081	0.2
125.01527	100.0
126.01868	2.1
139.03078	5.4
142.32500	0.2
145.10118	0.2
153.06958	0.5
155.08487	1.1
165.06992	0.7
167.06204	41.5
168.05365	0.2
168.06734	0.8
182.07297	0.3
183.08028	14.9
184.08411	0.8
197.13144	0.2
211.07512	2.3
228.10133	5.7
229.10455	0.2
264.89185	0.2
343.04477	0.2
376.24789	0.3
394.15591	1.0
394.25790	0.3
395.27408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2585
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
56.05023	1.2
58.06594	8.7
61.46211	0.3
67.05499	0.5
69.09568	0.3
70.06585	0.3
70.56228	0.2
70.56670	0.6
71.04965	0.4
72.08154	2.1
73.93078	0.3
79.05489	0.8
81.07044	0.5
84.08125	0.8
85.93821	0.3
88.70210	0.2
91.05495	1.7
93.07016	0.9
95.04964	0.4
98.09676	4.0
102.09189	0.4
105.07009	1.1
107.04916	0.4
107.08585	0.5
108.08091	3.2
109.06493	0.3
111.04449	0.3
117.07001	0.8
119.08524	0.4
121.31750	0.2
122.09678	0.5
124.11251	0.9
128.06207	0.3
129.06998	1.6
131.08562	1.2
133.10104	0.4
139.33955	0.3
140.10695	0.4
141.06996	0.6
142.75110	0.3
143.08545	1.1
145.10152	0.6
154.12254	1.5
155.08522	0.9
157.10136	0.9
159.11656	0.4
165.06976	0.4
167.08537	0.5
169.10129	1.0
171.11688	0.6
178.52693	0.3
179.08586	0.5
181.10149	0.9
183.11737	0.6
193.10066	0.6
194.91840	0.3
195.11690	0.8
197.13297	0.8
207.11678	0.8
209.13275	0.5
221.13353	0.4
223.14809	0.4
235.14711	0.3
312.82596	0.3
326.21066	0.9
330.20688	0.4
340.22751	0.4
344.22229	1.2
348.21704	0.7
358.23721	3.5
376.24780	28.4
377.25156	1.9
394.25842	100.0
395.26196	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	394.2585
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
54.20470	0.2
54.24232	0.2
56.96559	0.7
58.06594	25.3
59.06909	0.2
60.08162	0.2
67.05496	0.4
71.04961	0.2
71.44018	0.2
79.05492	0.6
81.07047	0.2
84.08138	0.2
84.96044	0.2
86.09713	0.2
86.46629	0.2
91.05469	0.8
93.07034	0.7
95.04986	0.4
95.08598	0.2
98.09695	0.6
98.97569	3.4
105.07014	0.8
105.97498	0.2
107.04971	0.2
107.08585	0.3
109.06521	0.3
110.97559	0.8
111.28714	0.2
112.99083	0.2
116.98597	0.7
117.07021	0.7
119.08584	0.7
121.06481	0.2
124.11201	0.2
124.99079	0.2
128.98608	0.7
129.07018	0.6
131.08597	0.6
133.06506	0.2
134.99663	0.2
135.08028	0.2
137.05978	0.8
137.94960	0.2
140.98674	0.2
141.07014	0.2
143.00182	0.5
143.08534	0.8
145.10100	0.3
146.99719	0.3
147.04398	0.3
147.08012	0.2
155.08569	0.6
157.10107	0.5
158.99635	0.7
159.08058	0.2
159.11761	0.2
161.01266	0.3
161.09564	0.2
165.07022	0.2
166.07840	0.1
167.08557	0.3
167.93269	0.1
169.10130	0.6
170.99753	0.3
177.00664	0.8
179.07057	0.3
179.08627	0.3
181.10071	0.3
183.11644	0.2
185.01288	0.3
193.10103	0.5
195.11757	0.6
199.53276	0.2
201.00664	0.3
203.02365	0.2
207.11729	0.4
209.09592	0.2
215.02298	0.2
219.01767	2.6
237.02779	2.5
237.16322	0.2
241.15994	0.3
253.15923	0.2
261.02774	0.4
263.04465	0.5
265.15802	0.2
279.03909	1.1
281.05460	1.3
293.05371	0.2
307.06888	0.2
313.11850	0.2
321.04987	0.4
335.06458	0.9
342.05817	0.2
353.07623	0.5
358.23724	0.5
376.20975	0.5
376.24826	1.4
394.25873	100.0
395.08884	0.6
395.26208	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	394.2585
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
56.04974	0.9
58.06519	3.1
58.06829	1.1
67.05424	0.7
69.43891	2.0
72.08068	1.6
72.08408	0.4
79.05414	1.0
81.06968	1.3
84.08086	1.1
91.05378	0.5
93.06946	1.1
95.08560	0.7
98.09572	0.6
105.06952	1.3
107.08501	0.5
117.06946	0.8
129.06961	0.7
131.08507	0.9
141.06943	0.5
143.08455	1.8
145.10065	1.0
155.08424	1.2
157.10048	0.8
159.11559	0.8
167.08591	0.6
169.10072	1.1
171.11617	0.7
179.08516	0.7
181.10027	1.5
183.11592	1.3
185.13072	0.5
193.10152	0.9
195.11584	1.1
197.13255	0.7
204.34421	0.5
209.13231	0.6
211.14717	1.4
237.16409	0.5
249.16353	0.6
268.20618	1.1
322.21652	1.4
328.22568	2.0
330.20605	0.6
340.22632	2.2
343.31903	0.5
358.23788	4.0
376.24780	68.4
377.25101	4.8
394.25845	100.0
395.26147	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	394.2583
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
55.05488	0.3
56.05035	0.4
56.96564	2.3
57.79692	0.3
58.06594	14.2
64.66685	0.2
64.71765	0.3
67.05495	0.4
69.17536	1.4
69.17925	0.6
72.08144	0.6
76.52953	0.2
79.05459	0.7
79.94881	0.3
81.07037	0.7
84.08121	0.6
91.05473	0.8
93.07024	0.5
94.18871	0.2
95.04915	0.3
98.09684	1.4
98.23448	0.4
98.97566	2.6
99.97959	0.5
105.07019	0.9
107.04984	0.4
107.08571	0.3
108.08113	0.3
110.09674	0.6
110.97569	0.8
113.38377	0.3
116.98605	0.8
117.07008	0.5
121.06468	0.3
121.48079	0.3
122.09621	0.4
124.11235	0.5
128.98579	0.4
129.06990	0.7
131.08551	0.8
135.07986	0.4
140.98596	0.5
141.06950	0.4
143.08513	1.3
145.10123	0.5
146.99623	0.4
155.08482	0.5
157.10110	0.7
158.99657	1.1
159.99934	0.3
167.08566	0.4
168.98088	0.7
169.10143	0.8
169.98405	0.3
170.99643	0.4
171.11624	0.5
172.00038	0.3
173.09633	0.3
181.10147	1.0
183.11632	0.4
186.99123	1.7
187.99513	1.2
189.00854	0.3
193.10091	0.3
195.11649	0.5
197.13176	0.3
205.00198	1.4
206.00549	0.9
207.11710	0.5
209.13293	0.3
211.14784	0.4
212.97046	0.4
213.97308	0.3
219.11650	0.4
223.14838	0.5
225.16568	0.3
230.00601	0.5
230.98012	0.7
231.98447	0.6
235.14812	0.3
237.02817	0.3
239.04410	0.3
242.00220	0.3
248.99171	1.6
249.99446	1.3
251.14450	0.3
262.05243	0.3
268.20514	0.3
272.99118	0.8
273.99570	1.4
291.00266	0.5
292.00467	1.0
303.00076	0.2
304.00607	0.3
328.22531	0.4
340.22614	0.7
344.22354	0.6
358.23679	1.8
362.23196	0.3
376.24768	21.8
376.55139	0.3
377.25027	2.0
394.25836	100.0
395.09360	0.8
395.26178	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	394.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54876	0.8
53.03885	1.3
55.01804	0.7
55.05435	8.0
56.04990	1.0
57.03364	3.2
58.56995	0.7
60.04476	1.4
61.02839	3.2
67.05418	11.3
69.03346	9.8
69.06983	6.2
69.53858	3.2
70.06508	10.2
71.04939	1.3
73.02825	2.4
79.05434	1.0
81.03405	5.5
81.06965	17.5
83.08524	5.6
84.08080	1.6
85.02895	39.0
85.03378	2.1
85.06464	0.9
86.03183	0.9
86.06003	1.3
87.04408	0.7
95.08593	17.6
97.02885	10.4
97.10160	4.5
98.06013	0.8
98.09576	1.6
99.04375	1.9
100.11226	1.1
109.02874	4.1
109.10136	9.8
114.12683	2.2
115.03799	1.1
123.11687	5.1
127.03897	6.8
137.13147	0.8
140.16574	0.8
145.04955	4.4
154.08505	0.8
196.20586	55.1
197.20935	2.9
214.21628	41.2
215.21945	2.9
218.55241	0.8
232.22679	100.0
233.23094	5.0
238.21606	3.3
256.22617	1.8
274.23752	5.2
340.24823	2.6
358.25781	3.8
376.27060	4.4
394.28070	35.9
395.28323	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	396.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06123	0.8
55.01866	30.6
55.05510	1.7
56.05033	1.1
62.16534	1.0
67.05498	10.2
68.05019	9.2
68.99777	3.7
69.03419	2.1
69.07061	6.7
70.02948	7.4
70.06581	10.7
71.04981	31.6
77.11496	1.0
78.40643	0.9
78.62291	1.0
79.05477	11.4
80.05014	2.0
81.07041	8.4
82.06580	2.0
84.08124	2.4
85.02902	3.1
86.06051	1.6
91.05447	4.0
93.05779	1.4
93.07032	3.6
94.06544	5.4
95.04958	2.8
95.07295	1.0
95.08627	1.4
96.08119	4.4
97.06519	11.9
98.06020	2.8
98.09678	7.3
98.23448	3.2
105.07012	4.2
106.06550	7.5
107.04993	1.3
107.08568	5.3
107.22614	1.0
108.08100	6.1
109.06458	1.5
109.10154	3.2
111.00802	5.8
112.07587	1.8
113.02363	3.4
117.07014	1.9
118.06524	1.4
119.07328	1.3
119.08569	1.0
120.04436	1.5
120.08076	5.9
122.06014	41.0
122.09648	1.9
124.07577	30.4
124.11217	1.4
125.05970	1.3
126.05515	1.3
134.05960	1.2
134.09622	2.7
135.08020	2.7
136.07558	54.4
137.05960	1.5
139.00261	9.2
140.07045	45.5
148.07568	3.7
148.11195	5.3
150.12801	2.3
152.07028	5.0
153.07848	1.9
157.01305	1.2
176.14323	13.4
186.12799	2.4
192.10135	2.8
194.15419	5.2
204.13843	18.4
205.14120	1.5
222.12674	1.8
222.14857	31.2
222.16949	2.1
223.15166	2.0
234.11949	2.3
236.09158	1.7
280.35324	0.9
334.16458	7.6
360.14240	2.3
378.15414	100.0
379.15903	7.2
396.27191	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	396.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85176	0.9
55.05497	2.8
57.07069	31.2
63.95664	0.9
65.93466	1.0
66.77650	0.9
67.05482	1.1
69.07050	2.5
71.08625	28.5
71.09027	1.4
73.06551	6.0
81.07040	1.5
83.08604	4.4
85.10167	24.0
87.04461	1.6
89.06021	100.0
90.06339	1.4
91.05464	2.2
93.07004	1.0
95.08590	1.3
99.11709	2.8
99.74037	0.8
105.07029	1.0
107.07030	2.1
107.08571	1.2
109.20757	0.9
117.09086	1.5
119.08601	1.0
133.08586	45.8
141.16379	3.9
151.09633	3.7
177.11203	9.1
185.19066	4.6
195.12292	2.8
212.69266	1.1
217.63609	1.0
229.21664	6.9
239.08673	1.1
239.14873	20.9
273.24258	2.2
335.27774	1.1
379.30502	22.0
380.30807	1.0
396.34360	2.1
421.05701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29844	3.6
53.03944	8.6
57.03426	4.2
57.49227	2.9
58.06576	3.4
61.02897	5.7
61.32924	3.3
66.57406	3.5
69.03436	16.3
69.67833	3.4
70.06577	7.4
71.04989	5.4
71.44576	3.8
72.08154	5.1
73.02889	5.2
74.34788	3.3
77.14228	4.1
81.03399	18.0
83.04934	4.6
84.08107	4.1
85.02904	67.7
86.06049	11.7
97.02880	47.1
97.03869	3.2
98.97553	8.5
99.04449	43.5
103.03930	80.4
106.23357	3.7
109.02862	14.4
111.03210	3.4
111.04446	5.9
116.98581	5.9
127.03896	100.0
134.99649	5.2
136.06215	4.4
145.04956	62.6
155.11766	4.9
157.04922	7.3
160.01311	3.5
163.06007	42.6
169.04980	4.0
187.05905	3.9
194.01158	3.8
203.78192	3.5
236.12738	7.8
237.02771	5.4
250.09277	5.1
271.08081	9.9
274.97479	8.3
289.09116	7.2
292.98288	4.5
307.10126	4.5
398.11267	42.6
398.16870	7.3
398.31082	10.7
399.12375	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29324	2.6
54.37568	3.2
67.96816	2.6
69.03416	11.7
70.45792	2.9
71.45952	2.7
73.02887	2.9
81.03413	12.7
81.07043	3.0
85.02893	71.7
97.02886	23.8
99.04436	39.2
103.03930	90.2
105.07019	3.6
109.02874	14.1
127.03896	100.0
145.04944	70.1
163.05998	43.5
187.05952	2.8
235.74426	2.9
271.08130	9.6
271.59854	2.9
285.94989	3.2
289.09061	5.4
307.10150	6.9
311.62314	2.7
398.23029	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	23.0
59.04996	4.1
61.02923	2.8
69.03423	63.0
69.07057	6.2
69.17726	14.6
73.02895	7.3
75.04465	2.8
81.03389	3.0
85.02892	100.0
85.03410	4.9
86.03209	3.4
87.04452	33.5
91.03958	3.7
97.02876	47.8
99.04443	6.3
103.03928	5.0
109.02868	5.9
115.03925	56.4
127.03882	23.9
133.04944	70.9
137.06000	3.2
145.04930	44.6
150.07587	8.6
163.06010	27.6
398.17236	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	398.9758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	9.4
58.27692	0.3
69.87356	0.9
71.95235	0.7
98.97569	90.4
99.97900	0.7
116.98604	41.3
130.93282	1.3
134.99643	9.7
140.00098	0.5
151.16322	0.3
153.00671	0.5
172.94321	5.1
190.95348	2.7
197.95154	0.4
208.96407	0.9
214.95337	3.2
232.96431	5.8
240.98700	0.5
241.94023	0.5
250.97498	2.7
256.96384	16.2
257.96802	0.4
258.99750	3.2
274.97458	100.0
275.97900	2.6
277.00790	3.2
292.98514	55.4
293.98978	1.5
294.98810	0.4
297.99033	1.0
310.99716	0.4
316.00400	0.3
398.97604	1.2
416.98550	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98627	0.3
55.91904	0.3
56.05041	0.3
56.96563	10.0
58.63176	0.3
62.16944	0.2
64.55790	0.3
66.12162	0.3
69.03426	0.3
70.06575	0.8
71.95254	0.6
80.66534	0.2
84.96039	0.4
85.02908	0.6
87.04446	0.6
97.02880	1.7
98.97573	75.2
99.97924	0.5
102.05515	0.4
102.96889	0.6
110.97575	0.4
111.04440	0.3
111.48175	0.3
116.98612	53.9
117.98878	0.4
120.97926	0.4
128.98593	1.1
130.93291	1.2
134.99644	20.9
136.06161	1.5
137.05974	0.3
140.00192	0.6
145.54614	0.3
146.99614	0.6
153.00670	2.7
154.93277	0.6
161.01230	0.3
170.99574	0.6
172.94331	5.1
177.00789	0.3
177.77367	0.3
190.95387	5.9
205.48911	0.3
208.96436	2.1
214.95364	2.7
218.11745	0.5
219.01706	1.3
232.96451	8.2
236.09230	0.5
236.12862	1.1
237.02809	1.2
241.02234	0.4
242.94882	0.3
250.09299	1.3
250.97462	3.6
256.96402	12.5
258.99893	1.7
272.95923	0.8
274.97479	100.0
275.97827	2.9
277.00800	3.1
290.97104	1.7
292.98538	57.1
293.98782	1.1
297.99100	1.7
310.99835	0.5
314.95389	0.6
316.00220	0.4
339.07440	0.9
350.99774	0.4
380.23410	0.4
398.23938	1.1
398.97827	1.1
399.06976	0.4
399.12274	1.3
399.17923	0.6
416.98886	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	25.3
69.03416	1.1
70.06577	1.7
84.96022	10.7
85.02876	1.6
97.02879	1.6
98.97566	64.4
110.97551	23.5
112.99118	3.4
116.98605	25.3
121.06518	2.4
124.99080	1.5
126.97010	1.6
128.98584	23.8
129.88188	0.8
131.00150	4.5
134.99658	4.9
136.84409	0.8
140.56908	0.8
140.98593	4.1
143.00151	7.3
144.98048	4.9
145.02806	1.0
146.99634	9.9
149.01199	1.7
152.98575	2.9
158.99641	8.4
161.01164	7.7
162.99115	3.7
163.00630	4.7
163.03871	3.2
165.00642	0.8
168.05118	2.5
170.99663	7.9
173.01189	1.1
177.00694	11.8
177.05453	1.9
181.01643	5.9
189.00694	4.9
193.01691	9.6
195.01689	1.6
195.03258	12.6
199.02750	1.4
201.00604	4.4
207.03256	2.3
211.02757	8.8
213.04323	13.0
219.01700	31.7
223.02803	3.0
236.11360	1.0
237.02559	46.6
237.11647	1.8
238.04935	0.9
241.03789	1.8
249.04250	1.5
250.09247	1.6
251.06050	1.0
255.05728	5.2
265.03787	1.5
279.05380	5.4
291.05368	1.2
297.06363	1.0
339.07462	100.0
340.07733	5.0
355.43634	0.8
357.08508	96.2
358.08636	5.3
399.09326	7.6
410.91956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70682	0.6
56.96556	19.1
57.03424	0.7
57.68451	0.5
58.06566	0.6
60.06753	0.5
62.51822	0.6
63.16534	0.5
68.46185	0.5
69.03418	1.7
71.04965	0.7
84.96021	6.5
85.02884	1.9
87.04454	1.4
89.06023	2.0
97.02896	3.0
98.97569	45.5
102.97048	0.8
110.97559	16.9
111.04384	0.8
112.99123	2.7
115.03911	1.7
116.98608	22.7
124.37052	0.6
124.99136	1.0
125.22890	0.5
127.03886	1.0
128.98589	20.7
131.00154	4.0
133.04933	2.2
134.99632	5.8
137.05983	0.8
140.98581	2.7
143.00157	5.5
144.98070	1.6
145.04932	0.7
146.10721	0.7
146.99638	10.5
149.01230	1.8
152.98589	1.6
158.99632	7.9
161.01190	6.6
162.99141	1.2
165.00624	0.7
167.07027	3.2
170.99606	4.5
173.01256	1.5
177.00702	9.7
179.02216	0.9
189.00674	4.5
193.01711	6.2
195.01649	1.3
195.03285	7.2
195.05034	0.9
197.08086	2.3
201.00583	3.9
207.01759	0.8
211.02756	7.4
213.04306	9.3
213.06123	0.9
219.01724	35.6
220.02150	1.0
223.02734	2.1
230.70842	0.5
232.96400	0.5
237.02736	65.3
238.03146	1.6
238.07088	1.1
242.03221	0.7
249.04349	1.6
250.09370	0.9
251.05911	0.7
255.03433	3.1
256.96432	0.6
260.04318	0.8
273.87863	0.6
274.97385	3.5
279.05298	3.3
291.05087	1.0
292.98529	2.3
321.06189	1.2
339.07446	100.0
340.07776	5.0
357.08569	7.3
399.09549	6.7
400.15674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01784	3.9
53.03947	9.9
55.01862	42.1
55.05507	82.7
57.03434	42.2
57.07070	7.0
60.09763	4.0
65.03922	11.3
67.05495	70.3
69.03426	19.5
69.07056	40.8
71.04984	9.2
79.05485	100.0
81.03389	16.6
81.07043	94.0
83.04965	20.2
83.08601	29.3
87.00010	4.4
91.05473	73.0
93.07036	82.5
95.04961	62.4
95.08604	34.5
97.02878	7.0
97.06505	11.5
97.10158	25.2
101.01537	10.3
105.07011	54.5
107.04939	31.0
107.08585	68.4
109.02869	8.0
109.06446	19.5
109.10169	17.6
111.04412	6.2
111.08060	4.5
115.05445	7.8
115.40479	3.8
117.01034	4.7
117.06993	49.3
119.08579	58.8
121.06482	31.3
121.10119	13.4
123.08050	23.3
125.09624	17.3
129.01018	13.5
129.05499	3.8
129.06979	15.0
130.98949	14.7
131.02644	4.2
131.08578	18.1
133.06474	9.0
133.10120	26.0
135.04382	5.4
135.08035	75.9
135.11708	4.7
137.09590	27.0
141.01106	4.1
141.07004	5.9
143.08519	13.8
145.06447	14.7
145.10110	15.1
147.08066	11.6
147.11627	5.2
149.09622	8.4
151.07512	4.7
153.04582	4.3
153.09094	10.3
155.08534	5.7
156.20335	3.7
157.04094	5.6
157.10130	11.6
159.08044	14.7
159.11673	7.4
161.09627	21.5
163.07539	38.1
163.11191	8.2
165.09035	3.9
169.10112	6.4
171.05641	24.8
173.09589	13.3
173.13194	5.3
179.10634	7.7
183.11728	6.1
189.06657	4.5
189.09256	5.1
189.11212	13.9
191.10664	7.8
199.05193	26.7
201.12624	6.5
203.10526	3.8
203.68236	4.4
211.08852	7.1
211.11061	4.3
215.18074	4.4
221.11731	15.8
225.16315	10.0
227.08154	4.6
243.17438	20.8
261.18335	8.1
271.16916	23.9
279.15015	15.4
289.17917	52.5
307.84314	4.1
318.73315	4.6
325.15649	9.3
363.21585	4.9
369.72720	4.2
378.99551	4.4
399.19305	93.7
399.24371	8.3
400.19601	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	399.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
53.90209	1.8
55.01613	3.6
55.01865	52.1
55.05257	2.3
55.05504	29.9
57.03430	59.6
59.51398	1.8
60.77165	1.9
61.02914	4.1
67.05154	3.0
67.05494	41.8
69.03422	12.3
69.07058	32.1
70.56759	3.4
71.01344	2.6
71.04977	3.6
71.08627	2.9
73.02908	20.6
79.05479	34.0
80.05828	2.0
81.03416	7.6
81.07049	35.9
83.04967	25.0
83.08610	11.4
85.37176	1.9
91.05473	21.2
93.07028	28.0
95.04949	20.0
95.08581	13.2
96.05730	7.6
96.55088	1.7
97.02870	3.8
97.06511	16.5
97.10153	19.8
98.07305	4.0
101.06013	5.5
103.05484	2.1
105.07005	11.9
107.04932	6.4
107.08582	20.2
109.02836	4.3
109.06505	15.8
109.10130	18.4
111.04414	3.7
111.08053	4.9
114.34258	2.0
115.07515	3.4
116.04686	36.3
117.06963	4.9
119.08566	14.8
121.06507	4.7
121.10138	7.5
123.04404	5.8
123.08031	6.4
125.09608	17.7
129.05461	100.0
129.07016	5.9
131.08527	6.0
133.06499	3.5
133.10054	9.1
135.08040	5.8
135.11650	9.3
136.08891	2.2
137.06078	2.6
137.09607	26.6
138.10323	2.1
143.07007	30.3
145.10135	5.2
147.08034	3.5
147.11702	7.1
149.09601	4.7
151.07559	2.9
151.29372	1.9
153.09180	2.2
155.10670	11.0
157.08592	55.9
157.09950	3.8
159.08195	1.9
159.11772	2.8
161.09647	2.7
163.11128	3.9
165.12697	2.1
171.10150	16.3
171.11577	4.1
173.09579	2.2
173.11729	3.1
175.11214	3.5
185.11740	3.3
189.11159	13.4
193.12265	6.6
200.14005	7.1
221.11710	25.3
222.12218	3.4
226.12167	2.4
239.12720	8.4
273.18472	3.7
295.15317	3.7
302.04117	2.6
307.18958	2.3
313.16492	3.0
333.50439	2.0
365.23001	2.9
381.22717	2.2
399.10748	7.2
399.23810	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15814	1.4
53.03934	4.4
55.01865	50.5
55.02137	2.4
55.05501	34.7
57.03429	61.7
57.07064	1.7
60.02139	2.1
61.02921	3.0
67.05492	42.5
68.06271	2.0
69.03419	8.3
69.07055	26.3
70.04199	2.4
70.72051	2.5
71.04993	4.3
73.02912	19.2
79.05480	32.2
81.03414	3.8
81.07046	38.0
83.04969	23.1
83.08598	15.1
85.02921	2.6
87.04462	4.6
91.05459	19.8
93.07034	29.4
95.04951	19.8
95.08599	15.8
96.05745	4.6
97.02898	2.2
97.06525	11.7
97.10143	20.1
98.07335	2.7
101.06027	5.0
105.07020	10.5
105.63532	1.7
107.04961	5.6
107.08588	18.4
109.02873	4.9
109.06513	13.4
109.10149	22.7
111.04463	4.1
111.08059	5.6
115.07581	3.2
116.04690	42.3
117.07005	5.2
119.08577	11.4
121.06550	3.7
121.10130	9.9
123.04395	2.3
123.08065	6.1
125.09618	16.1
129.05463	100.0
131.08560	5.8
133.06529	3.4
133.10138	5.9
135.08032	6.0
135.11681	7.8
137.09598	23.9
138.10120	2.8
143.07013	23.5
143.08591	2.7
145.10118	4.6
147.08055	2.4
147.11697	6.8
149.09590	4.6
151.07547	2.2
151.11165	2.2
153.09123	3.2
155.10651	8.6
157.08586	51.7
157.09918	3.0
159.11674	1.8
161.09619	3.1
162.10416	1.7
163.11177	2.3
165.12863	1.8
167.10664	2.0
171.10156	15.6
174.50874	1.7
175.11156	2.8
177.12743	3.0
189.11234	14.5
193.12236	5.1
200.14085	11.4
221.11688	21.2
223.45073	1.6
226.11937	2.6
229.14381	2.0
239.12767	13.7
251.20061	1.8
273.18469	4.9
289.17822	1.7
295.15195	3.6
313.16470	4.6
368.11157	2.8
399.11047	3.1
399.23764	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	400.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08475	0.7
54.52644	0.6
69.20436	3.0
69.20847	1.4
71.10243	0.6
233.08328	1.4
236.07036	0.7
249.07758	3.5
250.08470	1.2
263.09402	0.7
264.06540	0.8
265.07458	0.8
266.08081	1.4
269.07986	0.9
277.07257	2.3
278.08163	4.0
279.08780	1.4
280.05984	0.7
280.09677	1.5
281.07916	2.2
283.09656	2.4
290.07773	1.0
293.06808	1.0
293.10648	0.7
294.07590	3.1
295.08429	4.8
296.09360	1.6
297.07611	1.7
306.07559	1.9
307.08255	1.3
308.05588	1.2
308.09134	21.5
308.12576	1.4
309.09659	1.7
310.10669	11.2
315.87753	0.7
322.10825	3.4
323.11365	1.1
324.08603	16.3
324.12427	1.0
325.08899	1.3
327.12186	8.5
338.10239	2.3
339.10944	9.0
340.11682	0.9
354.13312	100.0
355.13705	8.0
393.89319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37016	0.6
69.45258	1.2
69.45623	2.1
132.13885	0.7
181.06413	0.8
207.06760	1.9
208.07437	2.9
209.08282	3.1
210.06752	1.3
210.09003	1.5
219.06801	2.3
220.07426	1.2
221.08109	1.1
222.05447	1.4
222.08969	0.7
224.10590	1.2
225.09065	1.4
226.06319	0.7
233.07977	1.0
235.06219	1.6
236.07027	67.4
237.07646	9.6
237.11382	1.0
238.08589	2.8
239.07018	1.6
248.06995	2.3
249.07822	2.5
250.04950	1.6
250.08546	4.4
251.09238	1.0
252.07507	1.2
252.10158	21.5
253.08429	1.3
253.10745	3.5
264.06537	18.0
264.09711	1.3
265.07297	13.3
266.07986	4.4
268.07089	1.0
268.09805	1.1
268.13242	1.0
269.07944	1.4
278.08136	1.9
280.09647	84.4
281.07837	3.0
281.10590	6.7
282.08017	1.1
282.11160	2.2
283.09589	8.1
292.09613	0.8
293.06717	0.8
294.07730	1.2
294.11176	1.5
295.11752	1.0
296.09116	2.2
296.12833	2.1
297.07376	4.3
308.09128	100.0
309.09625	11.2
310.10669	1.4
311.11639	1.5
312.09869	2.7
324.12228	7.7
325.12512	0.9
326.13956	3.3
327.12216	36.1
328.12610	3.1
336.08606	25.2
337.09015	1.7
340.11768	1.7
344.14807	4.7
354.09546	5.0
354.13333	10.8
355.13544	1.1
368.11218	11.7
369.11603	0.7
372.14417	1.1
400.14493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1385
Annotation	Cathaformine
Peak:m/z	Relative Intensity
55.01867	0.4
57.03428	2.8
61.02882	1.4
69.03412	3.3
69.09254	2.8
72.08168	0.4
72.81567	0.4
73.02906	6.2
81.03367	0.6
85.02891	12.7
87.03978	0.5
87.04459	7.0
91.03886	0.5
97.02876	5.3
99.04405	0.5
109.02834	1.0
115.03909	3.6
119.94530	0.4
120.08051	1.6
126.17775	0.4
127.03877	3.2
133.04926	1.0
145.04927	5.7
163.05968	3.0
168.08064	0.5
181.08841	0.5
184.07458	1.0
188.07036	1.5
198.09061	2.4
199.06102	0.9
204.10158	1.7
209.08255	0.5
210.09123	0.9
211.09785	0.7
212.07011	1.5
213.07701	0.9
214.08607	3.6
221.08200	0.7
224.10614	0.6
225.07800	0.5
225.15056	1.7
226.08667	1.8
227.09360	5.6
228.10126	8.8
234.09019	0.4
236.06975	0.7
237.07837	1.3
238.08524	1.5
239.09270	0.8
240.06531	0.5
240.10202	1.1
241.07169	0.6
241.10867	0.7
242.07906	0.6
242.11723	1.8
248.07359	0.4
249.07858	0.7
250.08630	1.9
251.09320	1.3
251.15050	0.5
252.06419	0.6
252.10132	1.1
253.07239	0.9
254.08055	7.0
254.11006	0.5
255.08884	3.3
256.09579	1.0
259.08136	0.4
263.09415	0.4
264.10153	1.8
265.07343	2.2
266.08054	3.2
266.11914	0.5
267.08813	1.7
268.06015	1.3
268.09540	2.0
270.11191	23.5
271.11517	1.5
277.07230	0.6
278.08008	1.6
278.11588	0.4
279.08832	12.5
280.09610	8.4
281.06772	0.7
281.10022	0.9
282.07605	1.1
282.11154	1.9
283.08408	1.4
284.09116	2.1
290.07959	0.6
292.09598	2.2
293.06818	0.5
293.10306	0.9
294.07639	7.0
294.11118	41.4
295.08276	6.0
295.11548	2.5
296.09091	4.2
296.12286	0.6
297.09781	0.5
298.10669	24.1
299.10938	1.3
306.07516	0.5
307.08429	0.6
308.09155	18.3
308.12708	2.4
309.09756	4.5
310.07056	1.5
310.10602	10.0
311.07773	0.7
311.11224	1.7
312.12213	5.2
313.13092	0.5
314.21054	3.0
322.10699	1.8
323.11459	1.5
324.08566	6.8
324.12238	8.9
325.09225	1.8
325.12704	1.0
326.10159	72.5
327.10489	5.3
338.10056	2.5
338.13818	7.4
339.10822	1.5
340.11728	46.6
340.22519	2.9
341.12424	10.8
342.12637	0.6
354.13315	6.0
355.13583	0.6
356.14844	57.1
357.15213	5.0
382.12494	2.8
383.15219	0.4
400.13821	100.0
400.24762	31.2
401.14056	8.0
401.24857	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.6
57.03429	23.1
57.68838	3.2
59.04949	2.9
61.02903	10.3
61.54310	2.5
62.37101	2.8
69.03419	42.6
70.10728	6.3
73.02912	39.5
79.58358	2.6
81.03431	6.5
85.02893	100.0
87.04456	21.3
97.02882	47.4
98.70197	2.5
99.04466	5.2
100.76479	2.6
105.93229	2.6
109.02863	6.7
115.03912	39.2
127.03912	25.3
133.04944	29.7
140.96774	2.6
145.04939	47.4
146.45996	2.6
163.06026	23.5
232.29526	3.1
241.07066	5.2
259.08295	3.6
270.11169	7.7
279.09039	3.2
294.11160	9.4
298.10699	4.5
308.09131	4.4
310.10641	4.0
326.10284	15.1
338.13773	2.7
340.11777	10.1
356.14838	14.7
400.13776	24.4
400.25067	13.2
401.14172	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	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01017	1.4
54.25328	1.3
55.34726	1.2
62.90756	1.2
65.03916	1.7
69.07655	1.5
71.04987	1.9
78.04692	1.8
79.05479	19.2
81.07030	2.5
82.58830	1.5
91.05455	7.9
93.07039	2.2
95.04952	6.7
105.03402	1.8
105.07010	2.7
106.04159	2.6
107.04933	36.8
111.56071	1.2
115.05436	3.1
116.06263	2.1
117.06953	1.9
121.06509	2.0
122.03617	2.2
123.04440	5.5
124.05163	7.1
125.05979	1.9
128.06232	4.4
129.07016	5.6
131.08554	9.6
131.23700	1.4
133.06483	2.7
135.04384	1.8
137.05954	2.5
141.06967	4.7
144.05679	10.7
145.06473	4.9
147.04332	1.8
152.04694	4.5
153.05470	1.7
155.04846	1.7
156.05675	24.1
157.06522	2.6
159.08003	14.3
161.05968	2.7
163.03886	6.3
165.06972	2.1
167.07004	100.0
168.07352	2.7
169.06386	2.2
169.07629	3.0
172.05110	1.6
173.05997	3.8
175.07570	2.0
177.05496	2.5
178.07864	1.8
179.07047	2.4
181.04904	4.5
181.06430	2.3
181.08563	3.7
183.06442	1.6
184.05194	6.7
186.06673	3.2
187.07484	12.1
189.05470	1.5
190.06233	2.9
190.07788	2.1
191.06956	2.4
192.09137	2.2
193.08496	3.2
195.06532	4.6
197.05957	1.4
201.09044	1.8
202.06203	11.6
202.07788	2.2
203.08556	1.8
204.07809	2.1
205.06595	2.7
205.08507	17.5
205.10135	1.8
207.06435	13.0
207.08037	1.7
208.05099	8.7
208.08919	1.5
209.05937	1.8
209.08063	2.3
210.06779	6.3
211.07530	3.6
214.06216	2.2
215.06821	2.4
215.08627	2.0
217.08554	69.5
218.07208	3.6
218.09138	1.5
219.08018	9.0
219.10181	10.0
220.08751	5.0
221.05984	2.5
221.09637	1.9
229.08611	3.8
231.08028	7.7
231.10121	2.7
232.08859	2.6
233.05963	2.3
233.09624	4.9
234.06792	1.9
235.07503	3.9
236.04652	2.3
236.08226	1.8
238.06226	2.8
239.06912	1.8
245.09653	2.8
247.07455	10.9
247.09674	22.5
247.87308	1.4
248.08243	13.6
249.05379	3.1
249.08951	3.2
250.06296	3.2
251.10658	2.4
254.05743	2.9
255.06482	2.9
256.07236	3.2
259.07510	3.8
260.08405	2.5
261.09073	5.5
262.06152	2.1
262.09805	3.9
263.07013	3.3
263.10641	10.7
264.07831	5.5
265.08542	3.2
266.05710	3.2
267.06424	3.6
269.07965	9.1
271.09586	16.3
272.06680	2.3
275.06985	4.8
276.07825	7.0
277.08606	4.0
278.05859	1.6
278.09323	1.9
279.10120	8.5
281.07935	1.6
282.05850	1.6
282.08862	6.3
284.06741	2.2
285.07446	2.4
287.09448	2.1
289.32288	1.4
290.09402	4.8
291.10074	17.4
292.07281	3.1
293.08084	8.5
293.11002	1.9
295.06335	1.5
295.09482	3.0
296.10403	2.1
299.09064	7.7
300.09650	1.9
301.07056	5.3
305.08182	2.0
307.09540	7.7
308.10364	7.1
309.07571	1.9
309.10962	3.0
310.08310	3.5
311.12781	3.8
315.08545	35.0
316.09192	4.1
319.09613	9.3
321.07492	4.1
321.11124	3.2
322.08237	1.9
323.12659	15.9
324.13199	1.6
325.10547	3.4
328.09344	2.3
330.10861	32.6
330.14481	2.6
331.11621	19.8
336.09869	6.4
337.10611	6.4
339.12177	7.9
341.09863	1.9
343.11639	13.0
351.12158	25.4
351.16141	2.5
352.12735	4.1
353.10123	5.0
356.12570	4.3
368.12338	7.5
369.13101	2.7
371.14835	5.3
383.14838	43.6
384.15256	3.7
401.15927	21.8
402.26340	9.0
413.67944	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29084	1.6
60.30571	2.2
61.21290	2.0
69.03427	3.3
72.08148	4.6
73.02898	3.3
78.04655	2.1
79.05489	15.7
81.07048	3.5
81.66543	1.6
85.02895	5.6
86.09685	6.1
91.05447	7.7
95.04938	5.3
97.02908	2.3
105.04494	3.3
105.06992	4.1
106.04140	2.0
107.04937	44.5
115.05462	4.3
117.05653	2.0
117.06957	2.4
122.03629	3.7
123.04406	6.6
124.05196	8.8
125.05956	3.0
127.03911	2.0
128.06175	5.5
129.06984	9.0
130.71265	1.9
131.08553	12.5
137.05920	2.1
141.06937	4.7
144.05688	7.3
145.04898	2.7
145.06450	7.2
149.06038	1.8
152.04704	4.5
153.05360	2.2
156.05658	22.3
157.06401	6.2
159.08034	19.9
161.06029	4.1
163.03874	5.3
167.07011	100.0
168.07356	4.6
169.07657	3.3
173.05914	6.4
174.06667	2.1
175.07538	5.0
177.05457	3.7
179.07040	2.3
181.04962	3.9
181.06410	2.1
181.08537	4.9
182.07347	1.9
184.05133	6.0
186.06757	4.3
187.07484	16.0
190.06248	3.7
190.07762	2.6
191.06984	1.9
191.08549	4.3
193.08482	2.3
194.07411	2.2
195.06470	5.4
202.06198	11.7
202.07823	2.8
203.08539	2.9
205.06749	2.4
205.08551	18.7
207.06499	11.9
207.08156	2.7
207.10004	2.2
208.05177	11.7
208.08812	3.1
210.06682	4.2
211.07533	4.4
215.08670	2.8
217.08566	66.9
218.07170	4.3
218.09012	2.7
219.07993	9.8
219.10181	9.4
220.08791	5.7
221.06010	4.7
229.08568	5.0
231.07976	9.1
231.10039	3.0
233.05917	2.8
233.09610	4.4
234.06601	2.8
236.04648	3.6
236.08205	3.2
237.09036	3.3
238.06128	3.3
239.06917	2.8
245.09637	3.9
246.06752	3.1
247.07443	13.3
247.09647	26.3
248.08305	11.0
249.05269	2.5
249.09064	5.8
250.06239	2.6
251.07115	2.2
251.10780	2.3
254.05640	5.9
255.06438	3.4
256.07339	3.0
259.07544	3.0
260.08566	2.4
261.09048	8.0
262.09839	5.5
263.07065	2.9
263.10648	10.4
264.07773	5.8
265.08423	6.6
267.06497	3.4
269.08005	15.5
271.09671	16.1
272.06683	3.0
274.03040	2.0
275.06931	6.0
276.07748	7.1
277.08429	5.8
279.06805	2.7
279.10065	12.2
281.07986	4.1
282.08798	9.5
284.06958	2.9
285.07645	2.7
290.09259	3.6
291.10052	18.5
292.07343	4.4
293.08084	9.9
293.11087	2.1
294.08395	1.9
296.10196	3.0
299.09167	8.7
301.07071	5.8
305.08041	2.4
307.09470	9.4
308.10452	8.7
309.07584	2.8
309.11160	3.3
310.08267	6.5
311.12424	2.4
315.08557	51.9
316.09076	5.2
319.09494	10.7
321.07486	5.2
321.11035	2.7
323.12625	17.4
325.10870	2.3
328.09290	2.9
330.10916	49.9
331.11703	21.6
336.09799	4.9
337.10706	5.8
339.12189	6.9
341.09924	2.7
343.11563	14.6
351.12219	28.7
352.12814	5.7
353.10129	7.7
356.12488	3.2
365.15536	2.2
368.12460	6.8
369.13205	3.4
371.14767	4.8
383.14832	53.4
384.14923	5.2
401.15881	20.6
402.16779	1.9
402.26486	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	401.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.9
57.03427	5.4
67.05499	4.6
69.07068	3.4
74.77262	2.6
80.21451	2.6
81.07048	4.7
91.05450	3.6
93.07059	3.7
109.06506	3.5
129.05486	5.2
145.10110	3.4
157.08591	4.9
163.11171	3.8
165.06931	3.3
219.07985	4.2
226.08566	5.0
233.27126	3.2
234.08496	4.4
235.07541	6.2
236.08278	4.9
239.09473	3.3
246.96819	2.7
247.07562	13.1
247.09880	3.6
251.10684	8.4
252.65292	3.6
262.09793	29.5
263.07034	12.5
265.08612	5.3
267.10031	3.6
268.09698	5.3
269.07944	4.8
278.09238	22.4
279.10114	9.9
281.11526	3.7
282.11349	6.6
285.11212	3.6
293.08499	3.8
293.11667	100.0
294.12512	20.2
295.09097	3.5
295.12814	4.7
297.11194	3.8
307.08386	3.7
310.10876	28.4
310.14423	30.8
320.12909	4.6
325.10596	5.4
325.14114	3.5
338.10257	5.6
338.13849	25.1
342.13391	23.2
355.10406	4.4
370.12616	5.6
395.80515	3.0
401.32544	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	401.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01868	16.0
55.05248	3.4
55.05502	41.6
57.03434	20.9
61.74367	1.6
62.62135	1.5
65.03930	4.4
67.05492	53.9
69.03419	4.6
69.07055	42.0
71.04964	5.1
71.78590	1.7
74.25798	1.9
77.03919	2.0
79.05480	58.6
81.03411	15.9
81.07043	84.6
82.07395	1.9
83.04973	15.4
83.08614	12.2
85.02903	6.7
85.06535	2.5
90.99510	3.8
91.05464	37.0
93.07027	41.9
94.04237	2.1
95.04955	26.0
95.08595	25.9
97.06516	4.1
97.10165	14.9
98.23457	3.7
99.04454	3.4
99.08078	2.1
101.02378	2.1
105.04482	2.9
105.07007	40.3
107.04926	13.2
107.08570	19.3
109.06495	8.7
109.10159	15.1
111.04417	12.3
111.08043	9.9
115.03121	2.2
115.05421	3.6
117.01035	4.9
117.07003	18.7
118.98950	2.1
119.08566	42.7
121.06485	16.4
121.10112	21.7
123.08051	71.5
125.09612	12.6
128.06166	3.4
129.06984	8.1
131.02611	2.4
131.08533	21.2
133.00493	10.4
133.06471	5.0
133.10109	9.0
135.08066	10.8
135.11688	10.6
137.09547	10.5
139.11240	2.1
143.08543	6.4
145.00516	6.8
145.10107	22.5
147.08034	17.7
147.11693	7.0
149.09647	13.9
151.92261	1.9
153.09109	5.8
153.12805	2.5
155.08562	3.4
157.10091	7.4
159.08015	2.9
159.11714	6.0
160.58604	1.9
161.09622	7.2
162.10165	1.8
163.11165	11.8
165.09135	4.4
169.10120	4.0
171.10136	9.1
171.11661	7.1
173.07347	2.2
173.13234	2.1
175.11163	5.3
185.13266	4.3
189.11197	11.1
189.12712	3.1
191.10674	2.6
193.12291	3.2
197.07359	3.3
199.11177	2.8
203.14345	3.0
223.13228	6.0
227.17975	7.1
237.16385	4.9
245.19022	5.5
249.14810	5.4
255.17487	9.5
273.18433	49.4
274.18808	2.9
291.19485	100.0
292.19818	5.2
309.16205	8.8
383.19708	2.3
401.20789	58.4
402.21054	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	401.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.0
57.07063	2.7
63.34032	1.7
65.03932	3.3
67.05498	20.2
69.03455	1.7
69.07062	17.2
69.88912	4.4
69.89260	1.8
70.06577	2.6
71.04984	11.4
79.05487	28.6
81.07047	38.5
83.08589	5.0
85.06549	1.9
88.07612	5.0
91.05468	52.3
93.07039	51.8
94.00688	1.5
95.04967	16.2
95.08604	23.9
97.06495	2.6
103.05440	4.8
104.33044	1.7
105.04496	6.9
105.07020	100.0
107.08579	43.5
107.09126	1.0
109.06509	61.3
109.10143	18.4
111.08067	8.6
114.74846	1.7
115.05444	7.5
116.06237	2.6
117.06998	27.8
119.06129	1.9
119.08566	80.0
121.10132	21.9
123.08045	6.0
123.11715	2.3
128.06216	13.7
129.07004	25.3
130.07791	11.3
131.08554	57.5
132.09024	1.8
133.10117	84.3
134.10492	2.8
135.08047	15.9
135.11673	20.5
137.09605	6.9
141.06902	9.2
142.07777	27.9
143.08553	45.3
144.09341	10.8
145.10107	87.9
146.10460	3.6
147.07994	8.0
147.11668	17.9
149.09569	5.8
153.06960	4.0
154.07729	3.9
155.08522	20.5
156.09309	18.8
157.10115	60.4
158.10890	15.0
159.08069	3.4
159.11688	37.2
160.12012	2.2
161.09622	5.2
161.13243	4.6
165.06953	5.9
166.07762	4.0
167.08548	10.7
168.09314	6.8
169.10109	22.9
170.10820	12.9
171.11678	29.7
172.12347	5.9
173.09674	2.1
173.13246	43.4
174.13664	2.2
175.14798	13.6
178.07799	2.8
179.08540	16.1
180.09308	9.2
181.10069	16.1
182.10886	5.6
183.11687	21.7
184.12320	4.2
185.13249	17.2
187.14784	34.4
189.12686	2.3
191.08455	3.0
192.09293	3.7
193.10155	14.3
194.10898	11.5
195.11656	22.9
196.12462	5.4
197.13231	19.9
199.14781	18.1
201.12747	8.0
201.16393	2.9
205.10120	4.1
206.10873	9.4
207.11685	11.8
208.12355	5.7
209.13213	28.3
210.13747	2.6
211.14790	10.2
213.12663	4.8
213.16272	2.3
215.14297	2.4
217.70682	1.5
219.11661	5.2
220.12393	3.3
221.13268	14.7
222.13947	5.3
223.14801	10.3
224.15405	2.8
225.16331	2.4
231.11510	4.1
233.13243	6.9
234.13957	3.2
235.14810	6.4
236.15536	3.2
237.16377	10.1
239.18036	2.5
245.13345	3.4
246.13983	2.6
247.14775	3.6
249.16357	3.2
250.17160	2.7
251.17963	7.3
253.19449	3.4
261.16269	4.7
263.17896	4.9
265.19492	8.4
266.20178	2.0
275.17944	3.9
277.19339	3.4
278.20062	2.3
279.17471	3.8
287.17868	1.9
317.22388	2.8
339.34454	2.0
343.24176	5.6
358.26288	2.5
383.27557	3.5
400.37921	2.3
401.28323	36.9
401.38083	6.0
402.28488	4.9
402.39218	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	401.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	15.5
57.07036	6.4
65.03918	5.0
67.05488	21.9
69.07056	19.9
69.16046	17.5
69.16449	12.4
71.04973	15.8
72.04506	7.4
79.05499	25.2
81.07043	27.3
83.08610	8.4
84.21635	6.2
86.40688	4.4
88.07619	7.7
90.05564	5.2
91.05470	47.1
93.07046	47.5
95.04952	12.3
95.08607	29.1
105.04585	4.6
105.07023	100.0
107.08587	38.5
109.06509	63.7
109.10135	16.4
115.05407	5.3
117.07037	25.2
119.08562	78.8
121.10148	15.9
123.08070	8.9
128.06210	10.5
129.06987	23.4
130.07698	5.1
131.08559	53.9
133.10127	67.7
135.08037	14.3
135.11664	21.1
137.09579	7.8
141.06920	8.1
142.07768	24.1
143.08543	44.0
144.09277	9.5
145.10110	88.2
147.08006	5.8
147.11674	21.5
155.08557	17.0
156.09286	19.5
157.10114	55.8
158.10883	17.2
159.11665	28.8
161.09709	6.4
167.08594	10.5
169.10136	24.1
170.10844	11.3
171.11719	27.8
173.13257	43.8
175.14812	11.7
181.10133	12.6
182.10756	7.1
183.11668	22.3
184.12352	6.3
185.13213	16.3
187.14763	33.5
194.10767	10.1
195.11690	18.3
196.12308	8.6
197.13168	14.5
199.14763	14.0
206.10796	7.7
207.11642	11.6
208.12624	5.3
209.13213	23.0
211.14729	9.4
219.11549	6.9
221.13225	14.5
223.14778	10.4
233.13206	6.0
235.14737	9.4
245.13196	8.4
249.16211	7.1
251.17998	8.7
263.17917	6.0
287.18036	6.0
343.23978	7.4
400.38950	5.3
401.28214	44.4
401.38333	9.8
402.39368	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	402.1158
Annotation	Salbostatin 6'-phosphate
Peak:m/z	Relative Intensity
53.57426	1.1
56.41195	0.9
58.06588	1.2
65.80338	1.0
69.88570	1.0
70.06577	2.0
70.23712	2.5
72.08157	1.5
78.99338	1.1
84.08109	1.5
85.02870	2.1
86.09698	2.9
98.23359	1.2
98.97619	1.7
126.01055	1.6
127.03900	1.5
137.06013	1.2
173.06158	1.1
196.24675	1.0
205.26558	1.2
211.07462	1.9
232.04984	1.6
402.11502	100.0
403.11453	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	402.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64838	1.4
58.06596	8.2
67.05497	2.6
69.07056	1.5
69.85907	4.0
70.06582	1.7
71.04992	2.2
72.04510	17.6
72.08141	1.7
79.05482	3.6
81.07063	3.1
86.09668	1.8
91.05484	5.6
93.07082	3.3
95.04926	1.3
95.08601	2.5
98.22628	1.7
105.07016	3.5
107.04930	2.4
107.08604	1.6
108.08113	1.6
109.10154	2.8
115.08701	2.6
117.07034	2.3
119.08551	2.3
121.06480	1.9
121.10194	2.7
129.07016	2.0
131.08563	2.3
133.28667	1.6
138.08493	1.6
143.08199	2.4
145.06444	1.4
159.08076	2.1
165.06891	1.7
167.07175	1.6
167.08490	2.5
179.08575	1.9
194.07227	2.0
195.08086	5.8
199.11224	1.6
207.99538	1.5
208.08824	2.8
209.09668	2.8
210.10503	2.3
211.07584	6.7
215.10612	2.2
222.06718	2.4
223.07526	8.3
224.08322	2.7
225.09016	3.2
235.07472	13.8
236.07927	2.6
237.09172	4.1
238.09933	6.2
239.06981	7.0
240.07901	3.2
241.08478	2.5
250.06165	2.9
250.08458	2.1
251.06970	21.1
252.07642	3.2
253.08566	3.9
254.09341	7.4
255.10207	6.0
257.11349	1.7
258.58646	1.8
265.08478	9.9
265.10986	2.1
266.09323	49.2
267.06659	5.8
267.10071	11.1
268.10870	2.9
269.08472	2.6
269.11749	8.9
270.08655	1.8
271.09641	4.8
279.85498	1.5
280.10962	4.3
281.08051	3.6
282.08835	15.0
283.09497	15.8
284.10474	2.4
285.11255	5.2
296.10324	2.9
297.11142	100.0
298.11874	31.8
299.09155	6.2
299.12723	10.2
302.11288	1.9
311.12735	18.1
312.13165	1.9
314.11462	6.0
324.12387	3.8
328.15417	3.7
329.13776	30.9
330.14252	1.9
342.13229	11.7
356.14908	13.3
357.13361	5.7
370.23862	4.7
374.15933	8.5
374.23087	1.9
402.21576	3.7
402.26434	59.9
403.26862	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92202	0.3
57.02995	0.3
70.70511	0.6
73.81471	0.3
78.67639	0.3
114.28014	0.3
144.33951	0.3
194.07248	0.4
195.08089	0.3
209.05978	0.4
210.06764	0.4
222.06677	0.3
223.07539	0.7
224.08279	0.4
225.09088	1.1
226.06163	0.6
237.05432	1.1
238.06093	0.4
239.06985	3.5
240.07774	0.4
241.08505	0.7
251.07031	1.1
252.07768	0.4
252.10216	0.7
253.08556	3.0
254.05725	1.3
264.10132	0.6
266.09265	1.2
267.06512	1.0
267.10052	0.3
268.07288	2.2
269.07986	2.3
279.12482	0.8
280.09619	2.4
281.07953	10.4
281.10513	1.1
282.08478	1.2
282.11215	0.8
283.09604	14.6
284.10129	1.2
292.09692	1.6
294.08139	0.5
294.11209	7.2
296.09579	0.6
296.12790	11.3
297.07510	7.9
297.10565	0.6
298.08127	0.8
308.12555	0.5
309.09964	0.8
310.10733	2.6
311.08682	2.2
312.09879	5.5
324.12268	8.2
325.12994	7.3
326.13144	0.6
327.12201	39.5
328.12555	2.7
340.15369	100.0
341.15717	7.5
384.14328	10.9
385.14661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64361	1.5
53.03949	1.9
57.03440	14.8
59.05003	4.4
61.02920	2.3
65.01779	2.0
67.91425	1.8
69.03423	64.9
69.75362	4.9
71.32059	1.6
73.02904	4.5
73.06548	100.0
81.03431	2.9
85.02893	49.5
87.04460	38.9
91.07587	18.4
95.30563	2.3
97.02886	58.9
109.02901	1.9
115.03918	79.5
125.05904	1.8
127.03894	4.5
133.03941	3.8
133.04950	79.3
145.04964	11.0
150.07558	6.0
163.06030	3.6
169.04898	2.5
223.11778	2.2
251.07487	1.9
253.12871	2.0
259.08102	3.3
295.10483	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	402.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26085	2.3
52.14649	2.2
57.03434	18.2
59.04986	2.7
69.03419	62.3
69.08266	2.5
69.58456	8.6
73.02911	6.7
73.06544	100.0
75.32932	2.3
81.03399	2.8
85.02899	55.5
87.04457	44.9
91.07587	21.0
97.02255	3.0
97.02881	54.0
101.80406	2.7
109.02872	3.6
109.88260	2.2
115.03916	73.7
115.05164	3.1
124.84311	2.4
127.03899	6.9
133.04955	71.9
133.08586	4.0
133.23740	2.3
133.58466	2.7
134.05295	2.4
145.04958	8.9
150.07582	7.0
158.21986	2.4
163.05966	2.5
174.15489	2.3
189.73888	2.5
213.26775	2.6
259.08093	3.5
277.08920	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	402.2635
Annotation	Aspochalasin C
Peak:m/z	Relative Intensity
56.05008	0.8
58.06592	9.1
67.05485	1.1
69.07055	0.3
70.06573	0.4
71.44398	0.4
72.08139	2.4
79.05482	1.3
81.07052	1.6
82.06552	0.8
82.63244	0.3
84.08123	1.3
85.08929	0.3
91.05473	1.8
93.07035	1.4
94.00937	0.2
94.06557	0.4
95.08571	0.5
96.08104	0.5
98.09666	2.6
105.07021	3.6
107.04931	0.8
107.08569	1.0
109.06509	0.8
109.10146	1.0
110.09695	2.0
112.37512	0.3
115.28475	0.3
117.06987	1.1
119.08550	1.3
121.06458	0.5
121.10090	0.4
122.09629	2.1
123.26290	0.3
124.11212	3.8
125.11965	0.4
128.06145	0.5
129.06987	1.0
131.08562	1.6
132.08870	0.4
133.06461	2.0
133.10098	1.1
135.08035	0.7
135.11649	0.4
141.06943	0.4
142.07716	0.3
143.08525	1.6
145.06516	0.4
145.10081	1.0
147.08043	0.5
147.11685	0.6
155.08505	0.6
157.10143	1.2
159.08006	0.5
159.11668	0.9
166.04973	0.6
167.08501	0.5
169.10136	0.8
171.11629	0.9
173.13220	0.4
181.10075	0.6
183.11678	0.6
195.11662	0.6
197.13243	0.5
218.90532	0.3
263.17941	0.3
272.89743	0.3
296.20157	0.8
296.23721	3.1
306.22092	0.5
324.23160	8.8
325.23563	0.7
342.24329	1.8
356.22165	0.8
370.23645	1.6
384.25253	19.8
385.25729	1.7
402.26321	100.0
403.26669	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	402.2634
Annotation	Gymnastatin H
Peak:m/z	Relative Intensity
56.04945	1.7
56.05235	0.6
58.06501	6.3
58.06815	1.2
60.03701	0.3
60.27678	0.4
67.05434	0.5
69.03364	0.4
69.06967	0.4
70.06499	0.8
71.04882	3.2
71.05302	0.5
72.08046	2.3
77.42677	0.3
79.05373	1.2
79.05788	0.5
81.06928	1.0
82.06505	0.4
84.08035	0.9
85.02782	1.0
85.06445	0.7
91.05357	2.4
93.06940	0.6
96.08046	0.3
97.06458	0.4
98.05898	0.6
98.09671	1.9
102.09056	1.5
105.06927	1.1
107.04877	0.6
107.08411	0.3
108.08099	1.8
109.06441	0.3
111.07998	0.6
112.59579	0.3
114.13270	0.3
115.05347	0.7
117.06860	0.9
119.04810	0.4
119.08484	0.6
121.06378	0.3
122.09586	0.6
123.07941	0.5
125.10416	0.3
128.06097	0.5
128.10576	1.2
129.07011	1.7
131.08476	0.7
133.06387	0.6
141.06831	1.1
143.08412	1.1
145.06436	0.5
145.10005	0.4
153.06830	1.1
155.08560	1.6
157.06477	3.4
157.10034	0.4
159.07912	0.5
160.11081	0.4
165.07013	1.5
166.07651	0.6
167.08496	1.9
168.22331	0.4
169.06400	0.4
169.09990	1.1
171.08029	1.6
177.05287	0.4
177.06781	0.3
178.07642	1.3
179.08496	3.0
180.09166	0.4
181.06345	0.6
181.10106	1.7
182.07178	0.3
182.10881	0.3
183.08003	2.4
191.08417	1.3
192.09198	1.4
193.08498	0.3
193.10120	2.2
194.07143	0.6
194.10655	0.4
195.08018	1.8
195.11684	1.5
196.08734	0.3
197.09473	1.2
203.08435	0.7
203.78719	0.3
204.09221	0.8
205.10107	1.9
206.10663	0.4
207.07936	1.1
207.11641	2.3
209.09439	1.0
209.13213	0.7
216.26860	0.4
218.10889	0.5
219.11548	0.9
221.09456	0.4
221.13287	1.7
223.11009	1.3
223.14737	0.6
224.10539	0.5
224.14322	0.3
225.12816	1.8
226.12021	0.7
233.13055	1.0
235.11021	1.4
235.14703	1.0
237.12642	0.6
238.12312	0.4
249.12817	0.3
251.14394	0.4
263.14163	0.4
267.13681	0.4
268.16785	0.3
270.14880	0.5
270.17978	0.4
280.16861	0.8
284.16492	0.5
296.16443	0.4
298.17944	3.4
299.18503	0.9
310.18008	0.6
310.21405	0.5
312.19504	1.5
324.19461	0.7
326.20963	0.3
327.21164	0.3
338.21072	2.7
342.20325	0.5
344.22037	1.4
356.22238	1.5
357.22607	0.5
370.23706	55.9
371.24063	5.2
384.21597	0.9
402.26352	100.0
403.15671	1.9
403.26678	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	402.2633
Annotation	Spiramine F
Peak:m/z	Relative Intensity
55.05512	0.6
56.05022	1.5
57.15633	0.3
58.06593	6.4
59.04989	0.4
60.94993	0.4
63.61179	0.3
66.25610	0.3
67.05481	0.6
69.03437	0.3
69.29184	2.0
70.06591	0.8
71.04976	3.0
72.08150	2.5
74.66757	0.5
75.04472	0.6
79.05499	1.1
81.03412	0.5
81.07053	1.0
84.08145	0.8
85.02893	1.2
85.06542	0.9
86.09667	0.5
91.05472	1.3
93.07029	1.1
94.67000	0.3
95.04949	0.5
95.08599	0.4
96.08134	0.4
97.06512	0.5
98.09688	1.4
102.09155	1.0
105.07013	0.7
107.04926	0.6
107.08627	0.4
108.08123	0.8
109.06500	0.5
110.09653	0.6
110.28250	0.3
117.07035	0.8
119.08566	0.7
121.06480	0.7
122.09663	0.8
128.06229	0.6
128.10704	0.8
129.07011	1.5
131.08543	0.5
134.87119	0.3
136.25087	0.3
141.06989	1.3
143.08562	1.3
151.07571	0.4
151.44583	0.3
153.06998	0.6
155.08569	1.4
157.06456	1.7
157.10118	0.6
160.11169	0.6
165.07022	1.4
166.07777	0.7
167.07219	0.5
167.08539	1.8
169.10132	0.6
171.08080	0.9
171.11673	0.5
177.05391	0.6
178.05785	0.9
178.07797	0.4
179.08514	2.0
180.09238	0.6
181.10135	1.4
183.08076	1.4
186.12654	0.4
191.08537	1.0
192.09398	0.7
193.10086	1.8
195.08051	1.1
195.11632	1.3
196.08818	0.4
197.09541	0.7
203.08517	0.7
204.09357	0.5
205.10069	1.0
206.15355	4.0
207.08073	0.6
207.11710	1.1
207.15514	0.4
209.09612	0.6
209.13293	0.5
210.12746	0.4
212.10544	0.4
212.14374	0.4
219.08052	0.6
219.11765	0.7
220.08891	0.7
221.13275	1.1
223.11232	1.3
224.08400	0.4
224.10652	0.5
225.12788	0.7
233.13248	0.7
235.11243	0.7
235.14917	0.6
236.08414	0.4
239.14273	0.4
251.14241	0.4
267.14075	0.4
278.19107	0.4
279.10278	0.4
280.11011	0.4
282.18591	0.5
284.16565	0.8
284.19907	0.5
286.18045	0.6
296.20175	1.1
298.18164	2.5
298.21426	0.5
300.19586	1.1
310.18069	0.5
311.04236	1.2
312.19647	1.1
324.09610	0.5
324.19489	1.0
324.23206	3.9
326.06473	0.8
326.21048	0.7
338.21222	1.4
339.12292	0.7
342.20618	0.7
342.24307	2.1
344.22018	0.9
356.22198	3.0
357.13452	0.5
357.22827	0.6
370.23697	29.5
371.24063	3.1
384.25330	3.6
402.26361	100.0
403.14429	0.7
403.26740	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	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	28.6
57.03399	9.1
57.28620	6.4
65.50764	7.4
67.05492	25.4
69.07064	31.4
79.05477	22.7
81.03410	15.4
81.07034	32.0
83.08598	16.6
84.42725	7.4
91.05479	15.1
93.07027	26.6
95.08586	16.0
97.10145	14.5
100.92595	8.2
105.06983	16.7
107.08569	21.9
116.99610	8.0
119.08483	9.0
121.10155	9.3
125.09575	8.9
133.10089	8.2
145.10089	10.3
149.09676	8.5
183.02798	8.2
183.76208	8.4
220.71387	8.4
245.14029	9.8
268.18939	9.0
269.17331	16.0
275.19971	13.9
328.43497	7.9
349.23648	13.5
373.09167	95.6
388.11230	11.3
403.13779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	28.6
57.03399	9.1
57.28620	6.4
65.50764	7.4
67.05492	25.4
69.07064	31.4
79.05477	22.7
81.03410	15.4
81.07034	32.0
83.08598	16.6
84.42725	7.4
91.05479	15.1
93.07027	26.6
95.08586	16.0
97.10145	14.5
100.92595	8.2
105.06983	16.7
107.08569	21.9
116.99610	8.0
119.08483	9.0
121.10155	9.3
125.09575	8.9
133.10089	8.2
145.10089	10.3
149.09676	8.5
183.02798	8.2
183.76208	8.4
220.71387	8.4
245.14029	9.8
268.18939	9.0
269.17331	16.0
275.19971	13.9
328.43497	7.9
349.23648	13.5
373.09167	95.6
388.11230	11.3
403.13779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	0.8
56.05001	0.3
57.07068	8.3
58.06594	2.4
62.28685	0.2
66.39811	0.2
67.05475	0.3
67.17701	0.2
68.04994	0.5
69.07013	0.7
70.06583	18.9
71.06901	0.3
71.08623	3.9
71.15194	0.2
72.08121	1.0
81.07002	0.6
83.08556	0.3
84.08081	0.4
86.06033	0.4
86.09662	0.4
88.07619	25.9
89.07918	0.3
90.09186	0.3
91.05459	0.3
93.07069	0.2
93.94879	0.2
95.08561	0.3
102.09166	15.5
103.09483	0.4
107.08519	0.2
112.52504	0.2
114.09110	0.2
118.04617	0.2
132.10181	1.4
146.11734	1.2
150.11177	1.0
183.02798	0.4
208.99052	0.2
263.43832	0.2
296.33096	0.7
314.34024	0.5
330.07336	0.2
340.35690	40.4
341.32178	0.3
341.36044	2.8
354.73840	0.2
358.06686	0.3
358.36386	0.3
373.09073	2.4
384.38324	2.5
402.39359	100.0
403.13776	2.6
403.28549	0.3
403.39716	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	404.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44790	0.3
63.22245	0.3
69.94778	1.1
75.12577	0.3
89.03899	0.8
91.05476	0.4
98.97566	3.9
102.15376	0.4
103.04173	0.5
104.04919	0.6
105.03407	0.5
107.04977	1.0
114.03410	0.8
116.04984	0.7
116.98611	1.6
118.06570	0.4
120.04452	2.0
120.10106	0.4
121.06485	0.4
129.03506	0.6
129.04494	2.8
130.02988	0.5
130.04018	1.8
133.05231	2.8
134.06001	6.4
134.99596	0.4
137.05934	1.2
141.04474	0.8
143.03600	0.5
143.06023	3.3
144.04451	0.6
145.02855	1.8
145.05212	2.8
146.02310	0.4
154.05229	0.5
155.06021	1.1
156.04410	9.8
157.02826	0.4
159.05583	0.5
160.03851	0.4
161.07074	0.7
162.05537	0.6
169.03917	1.8
170.04771	0.5
171.03235	0.6
171.05473	2.9
172.03914	11.5
173.04585	0.8
174.05562	0.4
177.05484	0.9
182.04724	1.2
182.07114	0.8
183.05518	9.8
184.05855	0.5
187.04916	0.4
197.07204	0.5
199.04974	3.6
200.03362	3.3
201.04196	3.9
201.06554	1.9
202.04761	0.4
210.04230	2.5
210.06619	1.2
211.05051	1.1
216.06494	4.6
218.08459	0.4
226.11082	0.8
235.02692	2.0
242.03194	1.4
245.07181	0.8
245.09464	0.4
253.03783	3.5
258.08011	0.5
259.08484	0.5
272.08173	4.4
273.06473	1.6
273.08969	1.8
274.07117	0.4
275.08075	0.9
287.08063	1.9
288.11301	0.4
289.09610	0.4
300.07605	3.1
301.08365	6.1
303.07480	1.1
315.10052	0.9
316.10727	3.8
317.09125	0.8
328.07126	9.4
329.07886	40.9
330.08194	2.8
344.10263	27.4
345.10632	2.0
367.99094	0.4
372.09741	100.0
373.09988	7.1
404.17459	1.8
405.22363	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.7
61.02914	1.1
69.03409	1.3
69.71121	2.1
69.71494	1.8
70.65872	0.8
76.31735	0.7
85.02896	8.0
89.38521	0.7
91.05471	18.3
97.02894	1.8
98.22736	1.1
109.02870	0.9
118.04198	1.1
119.04920	22.2
119.05717	1.6
127.03958	1.0
132.02075	1.5
132.09001	0.8
135.49211	0.9
145.05011	1.4
147.04388	21.0
149.02432	1.3
154.24614	1.0
157.03979	2.2
164.04665	2.2
175.03897	39.3
179.07007	2.2
180.08702	1.3
183.16457	0.8
192.04147	11.9
205.23918	0.9
207.06497	100.0
208.06911	3.2
225.07555	34.5
226.07874	1.7
288.79160	0.8
386.19357	4.0
404.20428	3.7
404.24518	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	404.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81959	0.7
61.02900	0.9
65.03940	0.8
65.51789	0.7
69.03402	2.2
69.72062	2.1
81.03443	0.8
84.67638	0.7
85.02893	6.3
91.05474	16.0
97.02870	2.0
98.22797	1.3
118.04137	1.3
119.04929	22.0
142.12601	0.8
145.04895	1.5
147.04393	19.6
148.04701	1.2
149.02309	2.2
157.03937	3.2
158.79131	0.9
164.04683	1.6
175.03893	39.2
176.04305	1.1
179.07008	2.2
180.08643	1.3
192.04138	10.7
207.06497	100.0
208.06876	4.4
225.07541	32.3
226.07893	1.0
404.24557	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43810	2.7
52.87551	3.0
53.03939	2.6
56.05040	3.1
58.06591	19.3
67.05503	2.5
69.03428	8.9
70.06573	4.1
72.08152	3.9
73.71309	2.7
79.05475	5.7
81.03391	5.9
81.07067	4.8
82.06556	6.2
84.08134	2.9
85.02885	21.6
91.05465	16.2
93.07010	4.4
95.04979	3.1
95.08600	2.9
96.08145	3.0
97.02876	5.6
99.04491	3.1
103.04044	2.5
104.82254	2.4
105.01862	5.2
105.07024	5.7
109.02840	4.1
117.07048	3.1
119.04929	12.1
119.08588	4.0
121.06505	6.2
122.09621	3.9
124.11215	17.8
127.03912	6.2
131.08568	5.0
133.10110	3.9
137.05989	3.9
143.08586	3.3
145.04982	7.3
147.04417	10.9
150.05579	2.5
153.07040	2.6
155.08533	4.4
157.10089	3.1
159.08070	3.1
160.07408	2.7
164.04785	2.8
165.06950	3.5
169.10191	4.1
175.03871	25.5
177.05389	5.0
192.04187	6.9
193.10100	3.9
207.06487	75.1
210.40913	2.9
225.07463	23.0
242.21104	3.6
263.14536	3.2
263.60062	2.6
308.16919	3.0
326.17413	14.7
344.17798	3.7
353.03885	3.0
353.32956	3.0
372.21756	6.6
386.19449	100.0
386.23413	53.5
387.19751	5.8
404.20447	90.3
404.24445	80.7
405.20712	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	404.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	15.1
60.79959	0.9
65.16936	0.7
67.05453	0.7
71.95242	1.0
73.19432	0.7
79.05470	1.0
94.04137	1.3
98.22601	1.2
98.97566	86.1
107.04913	1.0
114.03349	0.9
114.99387	0.9
116.98605	69.9
118.04015	0.9
119.08447	0.7
121.06477	0.9
122.03622	5.6
129.04436	2.7
130.03944	1.4
133.05235	1.4
134.06012	4.7
134.99641	37.0
136.00011	0.8
137.05960	49.8
138.06284	1.3
140.00156	2.8
143.06050	2.0
145.02834	1.3
145.05174	1.5
153.00699	4.8
153.01750	0.9
156.04413	7.9
158.01239	2.2
169.03966	2.1
171.05487	1.8
172.03917	7.8
177.05418	1.0
179.00203	1.8
182.07138	0.8
183.05493	6.8
197.01170	3.3
198.01987	1.4
199.05013	2.1
200.03401	3.1
201.04141	3.6
201.06546	1.6
210.04210	2.1
210.06482	1.0
211.02760	1.6
211.04739	1.0
216.06447	3.4
220.00398	2.4
224.09579	2.3
226.11124	18.9
229.48669	0.8
235.02742	65.4
236.03119	2.2
238.01433	2.7
242.03210	1.3
242.10678	0.8
244.12132	9.9
253.03809	100.0
254.04141	4.2
261.03250	0.9
268.12106	4.0
271.04767	5.2
272.08249	2.8
273.06390	1.3
273.08981	1.1
275.07974	1.2
276.05457	9.8
280.12109	1.5
287.08234	1.1
297.88049	0.9
300.07657	3.0
301.08405	4.3
303.07632	1.2
316.10788	2.4
328.07169	7.6
329.07883	25.9
329.12524	1.4
330.08096	2.0
344.10303	19.3
344.15271	9.3
345.10669	1.6
362.16348	2.3
372.09744	69.8
373.10123	6.9
374.09244	1.6
375.66965	0.8
383.76987	0.8
404.17419	76.1
405.17728	6.8
405.22479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.0
58.06597	3.1
60.49943	0.5
67.05482	1.1
69.03409	0.9
70.06584	3.5
70.67744	0.6
72.08125	1.5
74.02119	0.5
74.63427	0.6
79.05478	2.5
81.03419	0.7
81.07032	2.2
82.06558	2.0
83.04951	0.9
84.08124	1.2
85.02894	2.1
86.09712	0.8
91.05478	3.7
93.07027	1.6
94.06535	1.2
95.04936	1.2
95.08592	1.7
97.02867	0.8
103.05439	0.8
105.06996	3.7
107.04916	1.4
107.08563	0.8
108.08105	1.3
109.02915	0.8
115.05441	1.4
117.06990	2.3
118.06512	0.7
119.04950	2.1
119.08612	1.1
121.06501	1.3
121.10083	0.9
122.09651	1.1
126.01057	2.7
127.03941	0.8
128.06151	0.6
129.06987	1.9
131.04930	1.5
131.08545	2.5
132.08072	2.1
133.06505	0.9
133.10104	1.0
135.04372	1.8
137.05916	0.9
141.06956	2.0
143.08554	1.9
144.08067	0.7
145.06415	1.1
145.10109	1.4
146.05939	1.7
147.04379	1.4
148.11235	0.6
149.06059	0.6
150.05487	0.6
154.12267	0.9
155.08553	2.9
156.08136	0.6
157.10095	1.3
160.07512	1.0
160.11125	0.9
162.09082	0.6
165.06937	1.6
166.07780	0.9
167.08514	2.1
169.01648	1.0
169.10133	1.0
172.07518	1.0
173.06024	0.8
173.09610	0.7
175.03889	0.9
176.07036	2.5
179.08562	2.0
180.09352	1.1
181.06387	1.3
181.10106	1.8
183.08055	0.8
184.11282	0.7
190.08586	2.0
191.08557	1.4
193.10172	2.9
194.09517	0.7
195.08052	1.7
198.12624	0.8
203.08531	2.1
204.09224	0.8
205.10094	1.5
207.06445	1.2
207.11719	1.2
209.09573	1.0
212.14340	1.0
216.09297	0.6
217.10120	0.8
218.10806	0.9
219.07898	0.7
219.11742	1.0
221.09634	0.9
221.13063	0.7
230.10730	0.6
231.11684	1.2
233.13229	1.2
234.10371	0.9
235.11156	1.0
237.12836	0.8
242.03134	0.8
249.12843	0.6
251.14308	0.9
262.15860	2.5
280.16840	1.6
290.15219	0.8
298.17859	0.7
308.16364	3.1
309.14743	0.9
326.17441	17.7
344.18460	0.8
372.21686	4.3
386.19540	100.0
387.19849	7.2
404.20334	90.3
405.20743	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	404.2063
Annotation	Vilmoridine
Peak:m/z	Relative Intensity
61.54473	0.5
69.07299	0.6
70.06336	1.0
70.06742	1.8
71.24043	0.9
74.73729	0.6
76.75298	0.5
79.05233	0.6
79.05634	1.0
81.07198	1.1
82.06699	0.9
85.03031	0.6
91.05679	1.8
93.06683	0.8
93.07194	1.3
95.08238	0.8
95.08772	1.3
105.07236	3.4
107.08727	1.1
115.05633	1.1
117.07240	1.7
119.05116	1.5
119.08722	1.0
121.06748	0.8
126.82523	0.5
128.06332	0.7
129.07237	1.7
131.05058	0.8
131.08752	1.2
132.08243	1.1
133.06679	0.9
133.10255	0.7
134.09828	0.6
135.03740	0.6
135.04599	1.6
141.07178	1.1
143.05055	0.9
143.08704	1.4
144.76138	0.6
145.06699	2.0
146.06161	0.9
146.09901	0.6
147.08206	1.0
153.07158	1.1
155.08746	1.7
156.08174	0.8
159.08260	0.6
160.07727	1.4
161.06136	1.1
165.07178	1.9
166.07861	0.7
167.08789	2.2
169.10272	1.1
170.09955	0.6
171.11903	0.9
173.06168	0.6
176.07362	1.7
178.07916	1.1
179.08774	2.4
181.10397	1.6
183.08273	1.0
185.06148	0.8
186.13010	1.0
190.08694	1.5
191.08733	1.2
192.09569	1.0
193.10324	1.8
195.08182	0.9
195.11765	0.7
198.12796	0.8
203.08710	1.0
204.09506	1.3
205.10394	1.5
207.11887	1.1
209.09804	0.7
209.13477	0.6
215.08780	0.7
216.09500	1.0
217.10358	0.9
221.09923	0.6
221.13475	1.1
222.12991	0.9
224.39995	0.6
235.11252	1.7
235.15013	1.2
245.13336	1.1
249.12863	0.7
251.14322	0.7
261.12930	0.7
262.15939	2.8
278.15652	0.8
280.17148	0.8
290.15414	1.1
296.16580	1.0
308.16599	2.0
319.71323	0.6
326.17438	14.5
326.20963	1.0
327.17789	1.4
344.18640	0.8
344.22244	0.8
386.19556	100.0
387.19870	6.6
394.93802	0.6
404.20566	94.2
405.20868	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	404.2428
Annotation	Gomandonine 13-O-acetate
Peak:m/z	Relative Intensity
58.06592	26.5
60.08146	0.7
69.72608	1.1
70.06581	0.4
71.78734	0.4
72.08125	0.8
79.05489	0.9
84.08143	0.5
85.02919	0.3
86.09689	1.3
89.15794	0.3
91.05479	1.0
93.07044	0.8
95.04967	0.7
96.08139	0.3
98.09696	1.2
98.23386	0.5
105.07010	0.9
107.04939	1.2
107.08592	0.4
111.04391	0.5
117.06965	0.5
119.04980	0.7
119.08566	0.5
121.06505	1.3
128.06212	0.5
129.07010	0.9
131.08575	1.0
143.08527	1.2
145.10066	0.6
147.07991	0.6
155.08563	1.0
157.10165	0.5
164.03384	0.5
164.10977	0.3
165.06946	0.5
166.07863	0.3
167.08543	0.9
169.10233	0.8
171.08000	0.3
179.02185	0.4
179.08659	0.7
181.10072	0.7
193.10106	0.5
194.04495	1.0
195.11610	0.6
195.45921	0.3
201.24362	0.4
205.10089	0.7
207.11676	0.5
209.13351	0.5
218.11023	0.4
221.09622	0.4
221.13364	0.4
223.14836	0.5
233.13219	0.4
235.14897	0.4
237.12819	0.4
249.12761	0.7
251.14409	0.7
261.09500	0.8
267.14096	0.4
343.13629	1.5
345.11804	0.6
368.22260	0.7
386.23236	2.0
387.12341	0.3
390.89841	0.4
404.13242	1.9
404.24283	100.0
405.13544	13.2
405.24652	8.9
421.97308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2792
Annotation	Aconasutine
Peak:m/z	Relative Intensity
55.05505	0.9
56.05034	1.3
57.94757	0.4
58.06598	8.1
61.02920	0.4
65.03932	0.4
67.05512	2.5
67.21783	0.3
69.03429	0.4
70.06586	1.2
71.04982	2.4
72.08148	0.8
74.21796	0.4
74.90788	0.3
75.04442	0.5
79.05491	2.7
81.03441	0.6
81.07041	1.4
82.06569	0.3
84.08133	0.6
85.02892	0.9
85.06542	1.0
91.05480	2.6
93.07059	1.2
95.04957	0.9
95.08607	0.9
96.08125	0.9
97.06532	0.7
98.09666	1.8
102.09175	1.2
105.03394	0.5
105.07014	1.8
107.04965	1.4
107.08640	0.7
108.08118	1.3
109.02869	0.5
109.06515	1.1
111.08078	0.9
115.05457	0.7
117.07021	1.2
119.04919	0.5
119.08588	1.4
121.06519	0.8
121.08804	0.4
121.10162	0.5
122.09654	0.8
123.04443	1.0
128.06197	0.4
128.10698	0.8
129.07021	1.3
131.08594	0.9
133.06479	0.6
133.10120	0.7
133.46541	0.3
134.09625	0.5
135.08095	0.6
137.05980	2.9
141.07016	0.9
142.53450	0.3
143.08537	1.7
145.06480	1.0
145.10120	0.7
147.08009	0.9
148.11208	0.4
149.09546	0.5
149.12000	1.9
151.03955	1.2
155.06059	0.5
155.08545	1.1
157.06529	0.8
157.10155	0.6
159.08095	0.4
160.11153	0.5
161.06042	0.8
161.09549	0.4
162.12845	0.6
165.07065	0.4
167.07071	4.0
167.08466	0.9
169.10152	1.2
171.11682	0.7
172.05219	0.9
173.09795	0.4
179.08554	0.8
179.13058	0.4
180.13809	2.4
181.04935	4.5
181.10126	1.4
183.11723	0.6
189.05449	0.5
193.10219	0.7
194.15373	0.5
203.07037	0.6
204.10349	0.4
205.08591	0.6
206.15413	2.2
206.18979	0.9
207.11778	0.7
207.13889	0.4
207.16110	1.0
218.05757	0.6
218.11047	0.4
218.15208	0.4
219.11749	0.4
221.08070	0.6
221.13167	0.6
223.14743	0.5
224.20059	2.7
233.08043	3.6
233.13171	0.5
242.21146	2.2
248.12932	1.4
253.08768	0.4
263.09183	0.6
282.18552	0.5
283.16928	0.4
286.18085	0.9
294.18735	0.4
298.17877	0.5
300.19620	0.8
301.07092	0.8
302.21191	1.0
312.19580	0.6
312.23044	0.4
314.21155	0.5
316.09494	0.5
326.21225	1.4
327.21768	0.5
328.22672	1.0
330.20651	0.6
332.22189	0.6
340.22592	2.1
344.22217	1.4
344.25836	0.6
357.13336	0.6
358.16617	0.5
358.23676	9.3
358.28043	0.6
359.24478	1.5
372.21536	2.2
372.25461	7.2
373.25980	0.8
374.26917	0.5
375.14526	0.7
386.26981	0.7
387.14392	4.6
404.28024	100.0
405.15848	0.9
405.28464	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	405.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.1
69.07035	1.2
71.43089	1.4
81.07070	1.5
91.07156	0.9
95.08591	1.4
104.99239	3.3
107.08593	1.4
133.10182	1.0
145.10095	0.9
154.14308	0.9
211.07443	1.2
262.98083	1.0
284.01608	1.2
293.18680	1.2
330.08224	2.0
345.10663	1.2
373.10208	5.2
405.22388	100.0
406.22623	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	405.2246
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
67.05489	1.1
69.07035	1.2
71.43089	1.4
81.07070	1.5
91.07156	0.9
95.08591	1.4
104.99239	3.3
107.08593	1.4
133.10182	1.0
145.10095	0.9
154.14308	0.9
211.07443	1.2
262.98083	1.0
284.01608	1.2
293.18680	1.2
330.08224	2.0
345.10663	1.2
373.10208	5.2
405.22388	100.0
406.22623	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	406.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
56.05018	3.0
56.96544	1.3
57.03435	9.4
58.06594	46.9
59.04991	1.5
60.04513	1.2
61.02917	2.1
67.05475	1.0
69.03419	23.2
69.33546	1.9
69.33962	2.8
71.04968	1.8
72.08135	3.5
73.02913	9.0
74.06084	1.0
79.05487	2.2
80.76009	0.9
81.03401	1.3
81.07036	2.4
82.06560	0.9
84.08122	1.2
84.31911	0.9
84.73386	0.9
85.02895	27.1
86.09706	4.5
87.03953	1.6
87.04457	19.1
91.03905	0.9
91.05472	3.5
93.07011	2.3
95.04964	1.3
97.02876	26.5
98.09681	2.1
98.97562	1.2
102.09166	1.6
105.07014	3.6
107.04972	1.2
107.08586	1.6
108.08087	2.9
109.02885	0.9
109.06514	1.1
110.09666	2.7
111.04433	1.0
115.03916	30.2
116.04295	1.1
117.06979	2.5
119.08546	1.8
121.06506	1.9
121.10090	1.1
122.09648	2.1
123.04370	1.2
124.11196	1.4
126.01041	2.5
127.03905	4.8
131.04912	0.9
131.08533	1.7
133.04951	35.1
137.05983	1.6
141.06905	1.6
143.08531	2.9
145.04947	9.3
145.10120	1.8
147.11731	1.1
149.05899	1.3
150.07590	3.4
154.12285	1.2
155.08542	2.8
157.10103	1.4
159.08015	0.9
163.06001	4.8
167.07037	4.1
167.08456	1.6
169.10077	2.1
171.11685	1.5
174.12857	0.9
177.05473	2.0
179.08476	2.1
181.10085	1.5
183.08040	1.1
183.11670	1.9
195.08199	0.9
195.11696	1.5
197.13229	1.2
203.08574	1.2
205.10120	1.3
209.07962	1.5
211.11320	0.9
221.13361	1.1
223.14735	1.6
226.03719	2.1
227.09106	2.8
232.10333	0.9
235.14832	1.3
235.99808	0.9
241.07025	1.0
248.81561	0.8
259.08081	1.6
271.09348	1.0
314.17450	0.9
328.18970	3.1
328.22470	1.0
328.48026	1.1
342.20575	6.1
343.21097	1.3
356.22028	2.8
370.20053	21.0
371.20325	1.4
374.23120	3.2
388.20920	32.6
388.24896	3.8
389.21817	2.2
406.14774	8.5
406.22037	100.0
406.25928	79.4
407.14731	1.1
407.22418	6.4
407.26230	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	406.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.1
58.06593	100.0
59.06924	1.3
67.30013	0.4
68.56506	0.3
69.71115	1.2
72.08159	0.5
74.96558	0.3
76.00793	0.3
79.05486	1.7
84.08153	0.5
85.02917	0.3
86.09674	0.4
91.05454	0.6
93.07046	0.9
95.08599	0.5
98.09683	1.2
102.05582	0.3
105.07024	0.7
108.08118	0.4
109.06385	0.3
115.05461	0.5
117.07032	0.4
119.08595	0.5
121.06481	0.5
122.09672	1.3
128.06218	0.5
129.07027	0.7
131.08577	1.2
141.07021	0.6
143.08603	0.7
145.10158	0.6
154.12206	0.8
155.08546	0.8
157.10165	0.6
167.08606	0.4
169.10135	0.7
179.08676	0.4
181.10101	1.1
193.30307	0.4
215.03395	1.0
223.03967	0.5
223.14804	0.5
227.03378	0.9
240.28716	0.4
259.02304	1.1
269.00717	0.8
284.79095	0.4
301.03271	0.8
311.05573	0.8
328.18997	0.6
329.06726	0.5
343.50244	0.4
356.22089	0.4
361.09149	1.0
370.19806	0.7
370.24054	0.5
374.12054	0.8
388.13943	1.5
388.21121	0.7
388.24921	7.9
389.25131	0.6
406.14905	28.5
406.25974	55.5
407.14960	2.3
407.26337	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	406.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
56.05034	0.9
57.03436	0.5
58.06594	100.0
58.99570	0.3
59.06288	0.3
59.06929	1.3
64.61318	0.2
67.05490	0.3
69.03442	0.3
70.06589	0.5
72.08141	0.4
73.02922	1.0
76.02230	0.2
79.05519	0.5
80.82578	0.2
81.03425	0.2
81.07068	0.9
82.06580	0.3
84.04493	0.7
84.55251	0.3
85.02913	0.9
91.05463	0.4
93.07057	0.7
95.04973	0.5
95.08607	0.3
96.08128	0.2
97.02865	0.6
98.09701	0.7
99.04462	0.3
101.84105	0.2
103.05401	0.2
105.07061	1.0
107.08603	0.7
110.09682	0.4
115.03914	0.5
116.01712	0.8
117.07065	0.3
119.08578	0.4
121.10152	1.1
127.03949	0.4
129.07018	0.5
129.14496	0.3
131.08583	0.8
133.04987	0.3
133.10185	0.3
138.05493	1.1
141.06914	0.3
143.08665	0.4
145.10162	0.4
155.08563	0.3
156.08415	0.5
157.10153	0.4
158.06020	0.4
162.02220	0.5
166.05022	0.7
169.10121	0.4
171.11652	0.3
181.10161	0.4
183.11633	0.3
193.10135	0.2
209.15236	0.3
215.03325	0.3
223.14783	0.3
227.03471	0.4
227.06947	0.3
243.06700	0.3
247.14879	0.3
253.15984	0.3
259.11023	2.3
282.18622	0.5
293.15292	0.3
299.16525	0.6
300.16055	0.2
310.18198	0.4
310.21539	0.3
311.05960	0.2
328.19022	13.3
329.19495	1.1
346.20270	0.9
361.09201	0.4
374.23450	0.4
388.20361	1.6
388.25470	2.0
406.15118	8.3
406.22278	15.7
406.26340	7.2
407.15512	0.6
407.22662	1.3
407.27203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.222
Annotation	Icacine
Peak:m/z	Relative Intensity
58.06585	2.4
58.85796	0.3
62.90722	0.4
67.05482	0.8
69.03405	0.6
69.31523	2.0
70.06578	1.4
70.99180	0.3
79.05463	1.3
81.07026	0.6
82.06583	0.9
85.02886	0.6
87.04440	0.6
91.05476	0.9
93.07015	0.8
94.06544	0.9
95.08595	1.0
96.08118	1.1
97.02882	0.9
105.07021	2.1
107.08553	0.5
107.36584	0.4
115.03901	1.5
115.05419	0.3
119.08543	0.5
121.10103	0.3
129.07004	0.7
131.07341	0.3
131.08545	1.0
133.04938	1.2
141.06950	0.6
143.08543	1.3
145.04881	0.4
145.10139	0.9
149.05988	0.4
155.08524	0.6
157.10141	1.0
157.84755	0.4
158.05972	1.2
159.11737	0.5
167.08539	0.6
169.10086	0.9
169.16940	0.3
171.07999	0.5
171.11734	0.6
176.07138	0.5
179.08607	0.5
181.10143	0.9
183.11659	0.8
185.06007	0.4
193.10068	0.6
195.11670	0.8
198.51349	0.3
207.11696	0.7
221.12997	0.4
235.14781	1.3
247.14867	0.9
253.12140	0.4
253.16025	0.5
259.10938	0.4
264.17392	0.5
265.15842	0.7
275.14474	0.4
281.15326	1.5
282.15149	0.8
282.18448	2.8
299.16486	1.4
300.15979	1.3
310.17920	1.8
328.19009	65.0
329.19302	5.4
346.20044	5.1
388.21024	7.0
389.21448	0.8
406.22134	100.0
407.22461	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	12.3
56.36213	2.7
58.06328	4.9
58.06592	52.9
58.63302	2.8
66.36775	3.4
67.05475	3.5
73.93610	2.7
79.05455	6.1
81.07022	6.9
83.04968	5.5
83.08601	6.3
85.02889	7.1
93.07033	5.4
95.08577	5.7
98.23524	6.1
103.73903	3.1
104.72227	3.4
105.07024	4.4
107.08569	9.0
109.06516	7.7
109.10131	5.4
121.10114	9.8
131.08530	4.6
133.10098	13.7
143.29311	3.2
149.13214	4.0
151.11185	9.0
153.09038	3.2
167.14250	10.1
173.13216	7.6
175.14771	7.3
191.14278	10.6
209.15326	33.1
215.91878	3.6
328.19049	18.5
328.22482	4.1
346.23843	6.5
374.23447	4.5
388.24246	3.8
406.14478	5.2
406.21970	21.9
406.26276	100.0
407.26385	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.3
58.06593	95.2
63.37387	4.6
66.48192	3.5
67.05523	3.9
68.80482	4.3
69.34504	23.1
70.06588	9.3
74.89166	4.7
79.05451	5.6
80.45300	4.2
81.07045	5.8
83.04971	7.9
84.08129	27.8
91.05434	5.2
95.04961	6.0
97.06543	5.3
105.07007	10.4
109.06526	5.3
109.10138	6.0
112.07644	4.3
121.10140	6.0
129.10208	20.2
133.10107	9.0
133.92091	4.3
145.91872	5.3
151.11241	7.1
167.14262	7.0
191.14275	6.7
209.15303	26.0
328.19073	21.3
328.22696	5.5
346.23694	11.2
374.23181	17.0
388.24872	7.8
406.21918	32.0
406.26468	100.0
407.26468	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	406.2583
Annotation	Pentagynine
Peak:m/z	Relative Intensity
56.05032	1.6
58.06593	53.8
59.06922	0.7
61.02921	0.6
67.05498	0.8
67.57150	0.4
68.26300	0.4
69.32637	2.0
71.04991	0.5
72.08143	0.5
78.00808	0.3
79.05492	1.8
84.08137	0.5
88.07609	0.5
91.05468	1.5
93.07021	1.1
94.06596	0.5
95.04967	0.9
98.09689	2.1
105.07027	1.4
107.04971	0.6
108.08109	0.6
109.06510	0.8
110.09665	0.6
117.07010	1.1
119.08559	0.5
122.09650	4.4
124.93514	0.4
128.06210	0.6
129.06996	1.1
131.08565	1.1
141.06976	0.8
142.07767	0.6
143.08580	2.0
145.10124	0.6
154.12228	4.6
155.08519	1.8
156.09357	0.4
157.10147	1.1
161.09550	0.5
167.08514	1.0
169.10152	1.1
171.11713	0.5
179.08511	1.1
181.10104	1.5
183.11693	0.5
192.09315	0.4
193.10176	1.1
195.11652	0.7
197.13397	0.4
205.10106	0.9
207.11696	0.8
221.13277	0.7
235.14850	0.4
253.15720	0.5
269.04498	0.5
328.22537	0.5
356.22104	1.2
370.23828	0.6
388.24783	28.9
389.25092	2.8
406.14890	10.5
406.25858	100.0
407.15469	1.4
407.26157	7.6
433.80731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57592	1.0
55.38972	0.9
56.05039	0.8
56.41439	0.8
56.96558	32.1
58.06596	7.3
68.87089	0.7
69.77885	2.2
69.78269	1.7
70.97043	0.9
70.98113	20.3
72.03027	0.8
72.08157	1.1
74.97611	0.9
80.13026	0.7
84.08103	1.1
84.96017	2.1
88.99132	5.9
98.97566	17.7
107.00202	1.3
110.97550	5.6
116.98603	8.8
121.06499	1.8
122.97571	2.9
123.90093	1.0
124.99126	3.0
126.97032	0.9
128.98584	7.8
131.00150	1.2
134.99629	1.4
140.98563	6.9
143.00154	4.3
143.44089	1.0
146.99635	3.2
150.97028	1.9
155.00139	29.0
155.01363	1.7
155.08521	1.1
157.01692	5.3
158.99617	7.8
161.01225	4.1
168.98056	9.5
170.99664	3.8
173.01208	37.1
175.02805	6.8
177.00684	3.6
179.02313	1.0
182.99646	9.8
186.99126	19.7
189.00726	3.9
191.02271	5.8
193.03786	1.0
199.02762	1.3
201.00681	26.1
201.02419	1.7
205.00150	11.7
212.96999	1.3
214.95393	1.1
217.03786	1.0
219.01730	33.4
226.98570	8.2
230.98082	2.6
237.02779	15.6
243.01752	2.5
244.99652	49.0
248.99156	3.2
251.04362	3.0
255.03848	2.7
261.02841	2.2
263.00711	100.0
264.01031	3.3
269.05536	1.7
281.01840	6.2
281.05371	4.4
286.02402	1.1
287.00690	74.9
288.01068	3.2
299.00760	4.7
305.01752	34.2
306.02048	1.1
317.01706	13.1
323.06274	1.5
328.03543	2.0
335.02872	2.2
345.04562	1.0
347.02835	2.7
347.06772	1.2
372.21390	1.9
388.21286	1.6
390.22763	8.2
406.22037	8.6
406.26382	1.0
407.04852	4.9
407.09473	13.6
407.15134	2.1
407.22241	4.7
408.23627	37.0
410.32498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	13.6
58.06587	6.0
61.75376	1.1
69.32143	6.4
78.49187	1.2
81.67636	1.4
84.96029	8.8
89.16438	1.2
98.23470	2.3
98.97570	60.1
110.97546	13.4
112.99127	12.6
116.98605	20.1
119.00169	3.0
124.99087	2.4
127.00657	1.4
128.98579	9.4
131.00154	10.3
134.99585	3.0
137.68393	1.2
140.98592	4.6
143.00108	6.4
144.98082	4.6
146.99663	4.2
149.01201	1.8
152.98563	3.4
158.99640	19.1
161.01218	9.6
170.99702	7.1
173.01228	5.3
177.00644	11.6
179.02313	3.1
185.01198	1.8
189.00745	4.3
191.02271	3.4
197.01144	2.0
201.00639	6.9
203.02290	2.9
215.02150	2.4
219.01741	32.7
221.03291	1.6
236.02272	1.6
237.02774	40.3
255.03654	3.5
258.25665	1.5
262.00082	1.5
263.04343	33.2
279.03751	1.3
280.01263	3.2
280.41736	1.5
281.05411	100.0
282.05743	4.0
288.53009	1.3
305.05399	21.7
323.06442	46.5
324.06799	1.8
347.06473	26.2
347.10178	1.3
348.06760	1.7
365.07654	4.1
390.22583	4.5
406.21649	2.6
406.26395	1.9
407.09369	35.8
407.15137	37.1
407.22128	3.5
407.26715	3.1
408.09464	1.6
408.23712	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	407.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	5.6
58.06591	9.1
66.22918	1.2
69.78544	3.7
69.78876	1.4
72.08121	1.2
76.07196	1.3
84.96016	1.4
86.91723	1.2
98.23415	1.7
98.97581	8.7
108.72214	1.3
110.97564	4.7
116.98591	2.0
121.06504	1.8
128.98601	3.3
140.98563	2.5
152.98569	2.0
158.99649	2.8
170.99654	1.9
175.60963	1.4
201.00742	3.8
219.01810	4.8
237.02814	2.7
251.04376	7.2
269.05533	4.7
281.05490	2.3
323.06519	2.0
363.05908	2.8
375.78027	1.3
390.22787	5.9
406.22171	2.1
407.09506	100.0
407.14990	12.4
408.09949	7.7
408.23785	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	407.1522
Annotation	Asperlicin D
Peak:m/z	Relative Intensity
56.96558	4.6
57.03988	0.5
57.18316	0.5
58.06592	3.4
60.00054	0.5
63.92131	0.5
69.81493	1.1
70.06544	0.5
83.05006	0.4
84.96021	2.8
85.02879	0.8
89.02715	0.4
97.82128	0.6
98.97569	20.9
100.99112	0.7
110.97543	3.6
112.99111	3.4
116.98609	7.9
119.00165	1.0
124.99080	0.9
125.71926	0.5
126.97035	0.8
128.44144	0.6
128.98579	3.4
131.00157	3.6
134.99617	1.8
140.98595	1.4
143.00131	2.5
144.98067	1.0
146.99585	1.2
149.01227	0.8
151.11566	0.5
152.98549	1.5
158.99640	7.3
161.01187	4.2
162.99193	0.7
170.99590	2.5
173.01176	1.4
177.00688	5.2
179.02272	1.4
185.01221	0.8
187.02815	0.5
189.00696	1.4
191.02246	1.8
195.01732	0.5
201.00670	2.1
203.02261	1.7
211.09665	0.6
215.02242	0.6
218.99608	0.7
219.01717	12.3
221.03333	0.8
234.79543	0.5
237.02779	14.4
238.03120	0.6
255.03851	0.7
263.04358	11.9
275.11078	2.4
279.03809	0.8
281.05402	39.8
282.05826	1.4
305.05365	7.7
323.06433	13.6
347.06442	9.2
347.09982	0.7
347.70782	0.5
365.07352	1.5
390.22766	3.5
407.15137	100.0
408.10419	0.8
408.15717	6.3
408.23700	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	407.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	11.3
62.45960	0.4
69.41436	2.0
79.05450	0.4
84.08154	0.6
91.05434	0.6
93.07058	0.6
98.97585	0.5
105.07061	0.7
107.05035	0.4
117.07058	0.5
122.11948	0.4
131.08542	0.6
143.08562	0.7
155.08517	0.6
175.44324	0.4
175.66635	0.4
178.91882	0.4
181.10207	0.7
237.02866	0.5
275.10956	1.8
280.19263	0.4
294.11389	0.4
358.23694	0.5
389.21405	3.6
390.22577	3.5
404.95044	0.5
407.15158	100.0
407.22189	3.2
408.11588	0.4
408.15900	4.9
408.23517	11.9
408.27496	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	407.1521
Annotation	Asperlicin D
Peak:m/z	Relative Intensity
58.06595	11.3
62.45960	0.4
69.41436	2.0
79.05450	0.4
84.08154	0.6
91.05434	0.6
93.07058	0.6
98.97585	0.5
105.07061	0.7
107.05035	0.4
117.07058	0.5
122.11948	0.4
131.08542	0.6
143.08562	0.7
155.08517	0.6
175.44324	0.4
175.66635	0.4
178.91882	0.4
181.10207	0.7
237.02866	0.5
275.10956	1.8
280.19263	0.4
294.11389	0.4
358.23694	0.5
389.21405	3.6
390.22577	3.5
404.95044	0.5
407.15158	100.0
407.22189	3.2
408.11588	0.4
408.15900	4.9
408.23517	11.9
408.27496	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	407.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85382	0.6
55.01847	1.0
64.13660	0.7
65.03920	1.0
67.05499	1.3
69.03414	1.1
69.06458	0.6
69.28033	4.2
73.30817	0.7
76.14263	0.6
77.03908	1.0
79.05479	8.4
81.07026	0.9
82.86117	0.7
85.02903	3.9
91.05457	6.2
93.07013	0.9
95.04950	2.2
97.02878	1.5
97.06525	1.3
103.05469	4.0
104.06195	0.9
105.03387	0.7
105.06339	1.5
105.07014	24.1
106.07375	1.1
107.04948	4.2
108.05710	1.6
109.06470	1.7
111.04407	1.0
111.51708	0.6
115.05419	1.4
118.04144	8.3
119.04885	2.5
120.05708	1.8
121.06497	2.4
122.07249	1.9
123.04369	0.7
123.08057	2.8
124.05180	2.3
125.06001	1.6
128.81535	0.7
128.87296	0.7
131.04866	0.7
132.05693	0.7
133.06479	20.6
133.07492	1.1
134.07280	1.2
135.04376	3.9
135.08032	4.7
137.05971	7.4
141.01021	1.3
145.04922	1.3
146.03603	1.9
147.04379	1.2
149.05991	4.3
150.06732	14.7
151.03899	13.0
151.04991	1.2
151.07504	4.9
153.05431	2.5
157.20016	0.6
160.20488	0.7
161.05966	4.0
163.03780	0.6
163.07501	1.2
165.07716	1.0
165.09093	16.9
167.06998	10.9
168.07739	2.6
177.05467	0.9
177.07007	0.6
178.06252	3.7
179.07005	2.8
183.05692	1.9
191.79706	0.6
193.08578	63.3
194.08932	2.7
195.06647	1.1
195.10185	0.6
205.08551	2.6
211.09619	100.0
212.10057	4.7
217.49364	0.6
309.23764	0.9
401.47125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.6
55.70150	0.5
58.06587	0.7
67.05505	0.6
68.77215	0.5
69.07014	0.5
69.32805	0.6
79.05469	0.7
81.07042	2.1
91.05464	1.3
93.07050	0.9
95.04974	0.7
95.08585	0.8
98.22527	1.0
105.07027	1.4
107.08558	0.8
119.08530	0.9
124.45763	0.6
125.01550	0.8
131.08636	0.7
133.10115	0.8
141.05371	0.6
142.12071	0.6
145.10110	0.6
169.06914	0.5
171.11617	0.8
195.06017	0.5
229.47864	0.8
267.72806	0.6
307.16367	0.6
370.71948	0.5
372.40967	0.7
407.23984	100.0
408.23776	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	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	3.3
67.05503	0.6
72.41837	0.4
79.05480	0.4
95.08549	0.5
114.59337	0.4
169.32362	0.4
209.12852	1.1
218.12874	0.7
271.87091	0.4
275.17535	0.7
292.20175	0.9
293.18607	0.9
302.18597	1.8
331.15735	0.5
333.20065	0.5
349.16772	1.0
358.24945	0.5
376.25900	17.9
377.26230	0.9
394.26813	0.6
406.35339	0.6
407.23987	100.0
408.24005	6.4
411.38177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	1.6
58.06589	0.5
69.56264	1.2
70.06581	6.7
71.06898	0.4
71.08611	0.7
72.08141	0.9
84.08131	1.6
86.09711	0.7
88.07623	0.9
91.05470	0.5
107.08538	0.4
114.09117	0.7
132.10150	2.2
133.10010	0.4
146.11758	2.3
147.12100	0.5
209.00987	0.5
295.15149	0.9
300.28952	5.3
301.29263	6.0
309.16629	1.0
325.16299	0.6
344.31561	1.9
345.31836	2.8
365.17603	0.4
406.35223	12.8
407.23996	100.0
407.35425	19.7
408.24234	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	407.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	4.2
72.29073	0.5
79.05484	0.5
81.07050	0.7
84.08150	0.5
85.63311	0.4
93.07029	0.6
95.08496	0.7
105.07012	0.6
125.07147	0.6
126.05564	0.6
129.37068	0.5
135.51866	0.5
137.90648	0.4
209.12807	1.5
275.17664	1.2
292.20114	0.9
293.18561	1.3
302.18668	1.9
349.16806	1.3
358.24829	0.5
376.25906	20.3
377.26340	1.3
389.23026	0.5
391.85837	0.5
394.26788	0.9
407.23990	100.0
407.35464	2.1
408.24091	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
57.07056	0.4
58.06592	0.6
65.23038	0.4
70.06565	1.3
88.07604	0.6
89.09334	0.4
93.07013	0.8
95.04977	0.5
120.28605	0.4
125.25523	0.4
129.10225	0.4
132.64070	0.4
256.26434	0.5
262.68973	0.4
285.52350	0.4
295.15247	0.8
301.29184	0.6
309.16742	1.2
406.35287	2.4
407.23987	100.0
408.24170	7.2
424.56537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.23359	0.3
70.06606	0.4
70.29079	0.5
70.29399	0.7
84.08138	0.5
85.92061	0.4
108.40605	0.4
142.48938	0.5
145.10129	0.4
156.58177	0.4
240.11452	0.4
301.29340	0.7
333.20285	0.8
337.16202	0.7
406.34961	0.9
407.23962	100.0
408.24149	8.1
425.55701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28319	0.7
63.35049	0.6
67.05498	1.7
69.07056	0.7
71.44141	0.7
72.44524	0.8
75.86739	0.9
81.07063	1.5
91.05452	0.7
93.06065	0.6
93.07040	0.8
95.04931	1.6
105.07002	1.0
107.08599	1.2
119.08541	1.0
142.54440	0.7
143.08566	0.7
152.08252	0.6
156.09346	0.8
171.11592	0.7
190.19862	0.8
336.13614	0.7
407.23965	100.0
408.24042	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	408.2199
Annotation	Crystal violet
Peak:m/z	Relative Intensity
55.05483	0.3
58.06592	10.1
58.06855	0.5
67.05490	2.1
67.44727	0.2
72.08143	25.9
79.05478	1.5
81.07036	2.1
84.08109	0.6
84.37328	0.3
86.09647	0.3
86.22217	0.2
91.05468	1.9
93.07020	1.8
95.04933	0.3
95.08610	1.4
98.09682	2.1
105.06994	1.9
106.59184	0.3
107.08537	1.2
109.10150	1.6
117.06979	1.5
119.08553	1.4
121.10059	0.4
124.11211	0.4
129.06989	1.5
131.08517	1.5
133.10066	0.9
138.12729	0.7
141.06927	0.6
143.08521	1.3
145.10110	1.4
147.11636	0.5
152.14328	3.1
155.08502	0.9
157.10115	1.6
158.34254	0.2
159.11682	1.8
167.08583	0.3
169.10062	0.8
170.10727	0.3
171.11688	1.3
173.13190	0.9
181.10043	1.0
183.11658	1.3
185.13228	1.4
195.11662	0.8
197.13104	0.6
199.14705	0.3
209.13165	0.5
211.14810	0.4
225.16409	0.6
237.16284	0.6
239.17958	0.4
239.46358	0.3
265.19513	0.7
300.23187	3.6
310.25229	100.0
311.25565	9.4
319.44653	0.3
328.26288	29.5
329.26666	2.9
364.61676	0.3
408.21967	52.1
409.22330	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	408.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44908	1.9
53.03941	2.7
55.01862	5.9
55.05506	4.7
58.06586	7.6
67.05500	10.7
69.03419	4.2
69.07060	7.7
69.92101	2.2
71.04958	2.8
72.20094	2.0
79.05482	7.8
79.35158	2.1
81.03401	3.4
81.07046	44.0
83.04958	4.1
85.02886	10.0
88.12286	2.0
91.05467	11.7
93.07034	6.5
95.04916	3.0
95.08587	8.0
97.02888	5.4
97.06517	6.9
99.08093	4.0
105.07002	17.7
107.08585	8.2
107.78538	2.2
109.02901	2.1
109.06544	2.7
119.08542	15.9
120.08160	2.1
121.10149	15.9
123.11698	20.5
127.07545	2.8
141.09041	2.7
146.48479	2.1
147.11659	54.5
148.11925	2.5
162.05428	2.7
165.12740	45.2
170.89052	2.6
183.12199	2.1
183.13774	15.9
193.12317	4.4
208.08351	2.0
210.93753	2.3
211.13374	7.0
229.14317	100.0
230.14754	3.7
238.53108	2.0
276.36322	2.3
300.15790	2.9
346.16501	6.6
408.22992	3.3
408.27676	7.4
420.37094	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2377
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
56.05027	0.6
56.96555	1.1
58.06594	18.3
67.05452	0.4
72.08152	2.3
79.05488	0.7
80.21704	0.4
81.07071	0.5
84.08128	1.8
91.05463	1.5
93.07050	0.8
95.04965	0.4
96.08109	0.8
98.09666	1.7
98.97572	1.1
105.06999	0.9
108.08069	0.4
109.06468	0.4
110.97551	0.5
116.98557	0.5
117.07027	0.6
119.08540	0.6
121.06519	0.4
122.09666	1.3
124.11204	0.9
125.40060	0.3
128.98581	0.6
129.06955	0.6
131.08539	1.4
133.10126	0.5
140.98526	0.4
141.06932	0.5
143.08516	1.0
145.10100	0.4
151.71996	0.4
155.08549	1.7
157.10123	1.3
158.99606	0.4
161.09584	0.4
167.08528	0.5
169.10143	0.6
171.11630	0.4
177.66801	0.3
181.10152	0.6
183.11533	0.6
193.10081	0.9
206.10724	0.4
207.11765	0.8
208.97394	0.8
219.01733	0.5
228.90932	0.5
233.13187	0.8
237.02803	0.6
252.96309	1.2
270.97299	1.6
279.13696	0.5
281.05280	0.6
318.82471	0.3
326.21109	0.6
333.63821	0.4
344.22083	1.4
346.20068	0.5
354.20630	1.0
362.23325	1.3
372.17349	0.6
372.21643	6.0
390.22705	17.2
391.23108	1.7
408.23703	100.0
409.09262	0.4
409.24161	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	408.2375
Annotation	Piepunensine A
Peak:m/z	Relative Intensity
56.05028	1.1
58.06590	4.7
67.05490	1.6
69.29539	1.7
69.29949	0.8
70.06577	1.0
72.08150	0.5
79.05488	2.4
81.07038	1.0
83.04944	0.5
84.08121	4.2
91.05461	2.8
93.06996	1.9
95.04955	1.0
96.08124	2.2
98.09658	0.5
98.97561	0.5
105.07024	3.6
107.04922	0.9
107.08567	1.4
108.08058	0.5
109.06500	0.4
113.77433	0.4
115.05459	0.7
117.06997	2.3
119.08574	1.6
121.06509	1.0
122.09653	0.7
129.07025	1.9
131.08545	3.8
133.06470	0.7
135.08083	1.0
141.06938	1.2
142.07718	0.6
143.08540	3.6
144.41583	0.5
145.10143	1.0
147.08034	1.0
151.07468	0.5
155.08551	3.8
157.10129	2.8
159.11717	0.7
161.09560	0.5
167.08479	0.8
169.10127	2.1
170.11769	0.8
171.07977	0.8
171.11723	0.5
173.09563	0.8
179.08537	1.1
181.10057	2.6
183.11650	0.8
185.09642	1.1
192.09259	0.7
193.10127	1.1
195.11681	1.5
196.12457	0.4
197.13298	0.6
199.11134	0.4
205.10034	1.6
207.11665	1.9
209.09447	0.5
209.13168	0.5
211.11247	0.5
211.14685	0.4
215.08812	0.4
219.11665	1.1
220.41870	0.4
221.13177	0.6
223.11131	0.7
223.14752	0.5
232.12379	0.4
233.13165	0.5
235.14677	0.9
237.12732	0.7
237.16406	1.0
239.10663	0.5
247.14838	1.7
249.47202	0.4
251.14212	0.5
265.15936	2.3
277.15900	0.4
283.16953	1.4
284.92657	0.4
294.18375	0.7
295.16998	0.9
304.19144	0.7
312.19495	1.8
330.20593	4.7
348.21710	4.1
349.21973	0.5
354.20044	0.5
358.19992	1.2
372.21744	1.5
376.20859	0.5
390.22742	10.8
391.23151	1.0
408.23682	100.0
409.24042	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	408.2742
Annotation	Blacknidine
Peak:m/z	Relative Intensity
56.05024	1.1
58.06595	10.9
61.02922	0.8
69.65701	1.0
70.06588	0.4
71.01340	0.3
71.04965	0.7
72.08159	2.9
79.05480	1.0
80.04993	0.3
81.07043	0.6
84.08128	1.1
85.02895	0.5
91.05470	1.8
93.07037	1.2
95.04974	0.5
98.09681	4.8
98.22733	0.4
99.14930	0.3
102.09166	0.7
105.07030	1.3
107.04924	0.5
107.08582	0.5
108.08123	2.5
108.08781	0.5
115.05448	0.3
117.06998	0.7
119.04906	0.4
119.08594	0.6
122.09659	0.9
123.33679	0.3
124.11211	0.8
129.06989	1.1
131.08574	1.6
131.09496	0.3
133.10143	0.4
137.05948	0.4
141.06944	0.8
143.08577	1.5
145.10141	1.0
154.12267	1.3
155.08540	1.1
156.13782	0.5
157.10127	1.1
159.11711	0.4
167.08522	0.9
169.10123	1.0
171.11664	0.8
173.13319	0.3
179.08560	0.5
181.10155	0.8
183.11653	0.7
193.10114	0.5
195.11661	0.5
197.13245	1.0
207.11670	0.6
209.13165	0.7
221.13356	0.5
225.12683	0.4
235.14809	0.6
269.15274	0.3
326.20947	0.6
330.20667	0.6
340.22659	0.8
358.23703	2.3
362.23178	0.8
372.25058	1.6
376.24719	1.0
377.25320	0.3
390.26349	28.5
391.26697	1.8
408.27408	100.0
409.27777	11.1
409.33325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2741
Annotation	Blacknidine
Peak:m/z	Relative Intensity
58.06594	39.0
67.05522	0.6
69.07028	0.3
69.53643	1.4
71.04979	0.9
78.81489	0.3
79.05493	0.7
80.64823	0.3
81.92359	0.3
84.08118	0.5
85.06539	0.4
91.05479	1.1
93.07054	0.7
98.22777	0.7
105.07018	0.8
114.76199	0.3
115.92191	0.3
116.53838	0.3
117.07037	0.6
119.08600	0.6
121.61843	0.3
123.04362	0.4
126.22301	0.3
128.06194	0.5
129.06989	0.8
131.08601	1.0
141.06966	0.4
143.08585	1.2
145.10123	0.7
155.08560	0.8
157.10063	0.4
167.07143	0.5
167.08543	0.8
169.10130	0.8
179.08546	0.6
181.10194	1.0
183.11830	0.4
191.14026	0.4
193.10088	0.6
195.11647	0.6
203.08559	0.5
207.11678	0.7
209.13112	0.4
223.14896	0.9
233.13187	0.9
235.14828	0.5
251.14395	1.3
253.15746	0.7
263.14236	0.3
269.15506	0.5
283.17014	0.7
301.17926	0.6
310.82623	0.3
344.21991	0.4
358.23752	1.2
376.24844	0.8
390.22073	1.6
390.26932	1.6
408.27512	100.0
409.22760	0.8
409.27820	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	408.2743
Annotation	Blacknidine
Peak:m/z	Relative Intensity
56.05027	0.5
58.06597	16.4
61.02920	0.9
67.05502	1.0
69.03432	0.7
70.04004	0.5
70.04338	0.7
70.06582	0.5
71.05000	0.4
72.07776	0.6
72.08150	7.0
73.02920	0.6
78.68489	0.3
79.05486	0.8
80.55080	0.3
81.07067	0.5
83.11322	0.3
84.08131	2.4
85.02911	0.7
85.06527	0.6
86.09705	0.6
88.07624	0.4
91.05479	1.6
93.07041	1.1
95.04967	0.4
95.08637	0.4
96.08112	0.6
97.02892	0.8
98.09686	5.2
100.11254	0.9
105.06988	1.6
107.04945	0.4
107.08622	0.6
107.25466	0.3
108.08090	0.4
109.02840	0.4
109.06510	0.9
112.07607	0.4
115.03938	0.6
117.07045	1.0
119.08589	1.1
121.06485	1.1
122.09683	0.7
123.04450	0.6
123.08117	0.5
124.11256	0.5
127.03924	0.6
128.06165	0.4
129.07005	0.7
131.08517	1.6
131.28979	0.4
133.06502	0.5
133.10130	0.5
135.08072	1.2
137.05997	1.0
143.08568	1.0
145.10156	1.0
149.09587	0.4
155.08574	0.8
157.10133	1.2
159.08080	0.6
159.11751	0.4
161.09639	0.6
167.08563	0.6
169.08728	0.3
169.10155	0.8
171.08005	0.5
171.11665	0.7
173.09573	0.5
175.11212	0.4
181.10077	0.7
183.11638	1.0
187.07552	0.3
189.15129	0.4
193.09865	0.4
195.11681	0.7
197.13177	0.7
199.11201	0.5
208.17102	0.3
209.13187	0.5
211.11185	0.4
223.14905	0.8
228.93379	0.4
251.14192	0.4
290.05328	0.4
294.81372	0.3
301.17926	0.4
326.21188	1.4
332.22089	0.5
344.22214	1.6
358.23737	5.7
359.23740	0.5
376.24780	33.5
377.25134	2.2
390.22614	1.1
408.27472	100.0
409.27832	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	408.2741
Annotation	Blacknidine
Peak:m/z	Relative Intensity
56.05021	1.3
58.06331	0.8
58.06595	8.8
69.41636	1.5
69.42037	0.8
72.08144	2.1
79.05476	1.2
81.07050	0.6
84.08151	0.5
89.12775	0.4
91.05473	1.2
93.07033	1.4
98.09682	4.1
102.09157	0.7
105.07001	0.6
108.08093	1.7
117.06979	1.0
119.08569	0.5
122.09687	0.6
124.11261	0.7
127.78128	0.5
128.10719	0.7
131.08554	1.7
143.08534	1.5
145.10092	0.8
154.12254	1.2
155.08592	0.8
156.09224	0.5
157.10130	0.6
167.08517	0.9
169.10072	0.8
171.11664	0.6
181.10201	0.9
183.11719	0.8
195.11720	0.6
197.13229	0.7
207.11766	0.5
233.13104	0.7
278.71762	0.4
326.21103	0.5
330.20477	0.5
340.22858	0.5
344.21906	0.7
358.23572	2.4
376.24741	18.7
377.25079	1.7
390.26334	5.8
408.27402	100.0
409.27658	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	408.2738
Annotation	Blacknidine
Peak:m/z	Relative Intensity
55.05493	0.6
56.05031	3.4
58.06594	8.3
67.05492	1.8
67.98987	0.5
69.07043	0.7
71.04980	2.1
72.08164	2.5
72.44275	0.5
75.04470	0.7
79.05494	2.1
80.05004	0.7
81.07053	1.9
82.06562	0.8
83.04949	0.5
84.04488	1.1
84.08138	1.5
85.02895	2.8
86.09713	1.3
88.07623	0.6
91.05466	3.1
93.07035	2.2
95.04939	1.1
95.08596	2.0
96.08139	1.2
98.09665	2.7
102.09166	1.7
105.07020	1.7
107.04935	0.6
107.08607	0.7
108.08105	5.7
114.09162	2.8
115.05536	0.4
117.06999	1.3
119.08572	1.1
119.80395	0.4
120.08109	1.0
121.06462	0.5
122.09663	2.0
123.08074	0.6
124.11224	1.4
128.10710	0.7
129.07004	3.0
131.08548	3.0
133.06470	0.6
133.10097	0.8
134.08301	0.6
134.09639	0.7
137.05945	0.5
141.06992	1.6
143.05695	0.5
143.08534	2.6
145.10077	0.9
152.10654	0.8
154.12259	1.7
155.08524	1.6
157.10138	1.4
159.08075	0.9
159.11734	0.6
160.11247	1.0
165.06946	1.1
166.07672	0.6
167.08531	0.9
169.10132	0.6
171.11696	1.0
174.12779	0.7
179.08553	1.2
181.10097	1.8
183.11710	0.5
186.12784	0.7
193.10139	0.7
193.12247	0.5
195.11632	1.7
197.13228	1.0
199.14917	0.6
203.16959	0.5
207.11734	0.7
209.13239	0.7
211.13371	0.6
215.13878	0.5
223.11183	0.5
227.14330	0.6
239.88773	0.7
243.13605	0.6
301.17917	0.5
312.19620	0.9
314.21060	0.7
326.21201	1.6
330.20483	3.5
344.22299	1.2
358.23676	5.3
362.23257	1.4
372.25238	0.8
376.24820	3.0
390.26367	30.1
391.26682	3.1
408.27435	100.0
409.18713	1.1
409.27759	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	408.2742
Annotation	Blacknidine
Peak:m/z	Relative Intensity
55.01855	1.7
55.05508	5.6
57.17559	1.3
57.91251	1.1
58.06613	3.0
67.05500	5.2
69.07059	4.1
70.06599	1.5
72.84814	1.1
79.05476	3.2
80.05040	2.6
81.07062	4.7
82.06584	1.9
83.08623	2.2
83.97140	1.3
85.06542	4.5
91.05504	2.8
93.07058	3.4
95.04983	2.2
95.08597	2.0
96.08113	2.6
97.06533	1.9
97.10153	2.4
98.06035	8.1
105.07022	2.5
106.06505	1.5
107.08611	3.0
108.08126	5.5
109.06526	1.8
109.10130	3.0
110.06030	2.3
112.07645	1.9
113.08377	15.0
118.06578	1.4
120.08126	3.0
121.08886	2.0
122.09663	3.9
125.09653	2.2
126.09159	5.4
134.06013	3.4
135.06815	4.4
136.07559	56.4
138.09117	1.5
148.07573	11.8
148.11217	2.2
149.08336	4.9
149.09558	1.4
150.09149	2.5
150.12758	9.9
153.12802	1.1
162.09180	4.9
162.12766	1.8
164.07072	3.1
165.07797	2.2
166.08661	2.5
168.10239	2.1
175.09889	1.4
176.10712	2.5
176.14413	1.6
178.08623	2.6
178.49261	1.3
180.06567	1.5
180.10208	2.2
182.15414	7.5
196.09738	4.7
204.13805	46.1
205.14166	3.2
206.15454	2.9
224.16499	5.9
232.16989	3.5
236.16409	16.2
236.18210	1.2
250.18025	1.4
256.19098	4.5
260.16412	12.8
262.18021	2.4
266.17517	1.5
278.17471	17.5
280.18726	1.4
290.17612	6.0
292.18991	2.4
296.18558	17.5
308.18729	4.1
320.18542	5.9
334.23682	6.4
338.19678	8.3
358.23718	6.3
369.49741	1.3
376.24750	40.2
377.25208	2.3
390.26511	6.9
408.27487	100.0
409.27774	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	408.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01861	0.5
55.05500	8.2
56.05030	0.5
57.03428	2.9
57.07061	1.4
58.06583	3.4
59.07143	0.4
61.02914	1.1
67.05157	0.4
67.05495	6.3
69.03416	2.8
69.07059	12.6
70.06583	10.5
70.61416	0.5
70.61754	0.4
71.04995	0.4
71.08630	0.4
73.02914	0.6
79.05489	0.9
81.03408	1.2
81.07042	13.7
82.07378	0.7
83.08608	5.0
84.08118	1.2
84.08926	0.4
85.02893	13.5
85.06519	0.4
85.23756	0.3
86.09647	0.4
87.04462	0.4
91.03946	0.5
93.07037	0.5
95.08594	11.7
97.02869	3.4
97.10156	4.0
98.09669	0.4
99.04437	0.6
103.27977	0.4
109.02872	1.7
109.10149	5.2
111.11678	0.7
117.56483	0.4
123.11677	2.0
127.03896	3.3
137.13239	1.2
145.04955	4.0
161.09686	0.3
163.06003	1.5
168.17419	0.6
210.22134	76.1
211.22467	3.8
228.23187	100.0
229.23515	6.1
244.00812	0.4
246.24248	16.3
247.24591	0.7
252.23151	1.0
270.24246	0.8
299.06412	0.4
354.26230	1.5
372.27383	1.3
390.28751	3.9
408.29663	11.9
409.29681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.6
55.01826	1.3
55.05501	9.0
56.04994	0.5
57.03424	4.0
57.07037	0.8
58.06593	4.0
60.04485	1.6
61.02910	2.8
67.05493	10.1
69.03416	10.1
69.07052	8.8
70.06578	8.3
71.04937	1.4
73.02874	1.4
79.05494	0.6
81.03409	3.7
81.07045	15.5
82.07354	0.5
83.01306	0.4
83.08608	4.0
84.04432	0.4
84.08141	0.8
85.02892	31.7
85.06486	0.6
86.03201	0.6
86.06022	0.9
87.04416	1.2
91.03883	1.3
95.08588	13.8
96.08828	0.4
97.02873	9.9
97.10149	4.3
98.09642	0.7
99.04427	1.9
109.02876	3.2
109.09438	0.5
109.10139	8.8
111.11660	1.2
114.12769	0.6
115.03883	0.6
123.11689	3.6
127.03896	6.5
137.13223	1.6
144.06584	0.5
145.04927	3.9
162.77393	0.4
193.19545	0.9
206.02628	0.4
210.22131	53.7
211.20685	0.5
211.22461	2.4
228.23186	41.2
229.23610	2.1
241.54955	0.4
246.24242	100.0
247.24615	4.1
252.23222	2.0
270.24246	1.7
288.25241	4.7
312.25330	0.9
336.25381	0.5
354.26361	1.6
354.97882	0.5
356.20108	0.4
372.27277	4.2
390.28525	5.8
391.28607	0.6
408.29514	45.2
409.30026	3.4
417.03717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	100.0
57.07066	13.2
58.06571	7.6
67.05490	34.6
69.07050	17.2
70.61104	14.6
72.04493	49.2
79.05486	19.6
81.07040	38.4
83.08613	67.4
89.06018	67.4
91.05449	24.9
93.07030	29.4
95.08589	23.3
97.87727	10.0
105.07001	28.1
107.08567	33.4
109.10136	47.4
114.30192	8.6
121.10080	10.5
123.11687	10.4
133.08583	23.6
133.10094	53.4
137.09621	9.6
151.11136	43.4
169.12184	16.6
195.12291	50.0
224.82941	9.8
279.19440	8.7
291.19348	13.5
296.31796	8.4
408.26712	17.8
408.31354	16.8
409.34412	10.5
412.97162	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	409.1367
Annotation	Trifloxystrobin
Peak:m/z	Relative Intensity
51.49482	0.2
54.26351	0.2
55.05494	0.3
58.89956	0.2
63.02378	0.3
67.05494	0.7
69.07053	0.3
71.44655	0.2
79.05470	0.9
81.07044	0.7
83.44599	0.2
89.03897	3.1
90.04684	0.6
91.05472	4.1
93.07012	0.4
93.14017	0.2
95.04948	0.5
95.08602	0.5
101.02010	0.3
103.05457	0.7
104.06288	0.3
105.07018	3.0
107.08583	0.3
109.06492	0.6
109.10171	0.4
113.03969	0.3
115.05412	0.3
116.04966	21.0
117.05779	5.1
118.06532	4.9
119.04913	1.2
119.07323	0.3
119.08625	0.4
121.10078	0.3
123.03545	0.5
128.04994	0.3
130.06508	4.1
131.07294	19.1
132.04431	3.0
132.08083	11.3
133.05244	0.3
133.08377	0.3
134.06001	8.8
135.06355	0.3
135.11658	0.4
143.03011	0.7
145.02580	40.2
145.10017	0.3
146.02957	0.7
146.05991	9.1
147.06808	1.9
148.07584	0.5
149.04626	0.3
157.07584	0.6
161.04733	2.2
162.09198	1.1
163.03658	1.7
173.03206	9.4
174.03526	0.2
175.06242	1.0
178.08629	0.7
182.67999	0.3
186.05232	100.0
187.05553	3.4
206.08101	21.2
207.08421	0.9
274.12866	0.2
408.27487	0.4
409.27335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12363	0.4
67.05482	0.9
69.07063	0.5
81.07045	0.8
93.07041	0.6
95.08605	0.6
105.07017	0.5
112.50613	0.4
119.25744	0.4
156.65892	0.6
225.27090	0.4
335.69315	0.4
340.01459	0.5
409.25558	100.0
410.25873	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	409.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59002	0.5
65.21065	0.4
66.21326	0.5
66.70098	0.4
67.05470	0.9
69.07061	0.5
70.93977	0.7
81.07047	1.5
84.08113	0.5
91.05473	0.6
95.08621	1.3
101.81747	0.5
105.56429	0.5
109.06487	1.0
119.08579	1.2
129.07063	0.5
131.08499	0.7
276.58588	0.5
295.35736	0.5
349.16992	1.0
367.14090	0.8
409.25540	100.0
410.25891	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
60.56502	0.4
62.40856	0.4
65.31487	0.4
67.05504	3.0
69.07082	0.4
79.05478	1.5
81.07044	1.2
91.05497	1.0
93.07028	1.2
95.04973	0.5
95.08611	0.6
97.53474	0.4
105.07014	0.7
107.08588	0.8
109.10131	1.9
119.08540	0.7
121.10094	0.4
135.11656	1.3
140.60028	0.4
145.10210	0.4
163.11099	0.5
173.11693	0.5
182.09738	0.4
283.21030	0.5
295.15128	1.4
309.16934	0.9
381.08997	0.4
409.25528	100.0
410.25836	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	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01863	3.6
55.05502	26.5
57.07063	8.5
59.04973	3.9
59.81303	2.2
67.05487	21.6
69.03415	7.4
69.07066	13.0
69.49853	2.5
71.04984	3.7
79.05476	29.7
81.07041	40.0
83.04964	6.0
83.08595	4.2
89.03923	3.0
90.11819	2.9
91.05457	48.2
93.07030	48.3
95.04951	55.7
95.08589	41.0
97.06519	10.1
99.49347	2.6
103.05454	3.7
105.04498	3.6
105.07010	100.0
106.07318	2.5
107.04964	2.8
107.08583	29.2
109.06509	15.3
109.10154	11.5
111.12912	2.9
115.05421	4.0
116.04959	11.3
117.05750	5.6
117.06989	18.9
118.06542	4.3
119.04895	4.1
119.08556	63.8
121.06478	18.7
121.10099	23.4
123.08058	20.9
123.57993	2.3
128.06152	7.4
129.06961	13.0
130.07729	6.2
131.07309	11.1
131.08549	27.8
132.08073	4.7
133.06487	6.4
133.10086	19.0
134.05994	3.9
135.08023	17.3
135.11653	3.4
137.05949	2.5
137.09584	9.9
141.06992	5.1
142.07756	14.1
143.08522	19.7
144.09317	3.7
145.02548	29.7
145.06401	4.0
145.10091	44.0
146.06001	8.0
147.08032	22.8
147.11652	40.2
147.12727	4.2
149.09583	11.9
151.07503	27.3
153.06924	3.2
153.09146	3.9
155.08554	10.3
156.09285	5.3
157.10129	28.6
159.08057	7.5
159.11613	14.6
161.09599	13.1
161.13232	6.0
163.11185	7.4
165.09082	35.8
168.09364	5.1
169.10117	14.1
171.11629	13.6
173.03195	6.4
173.09579	6.4
173.13223	10.9
175.11177	24.0
175.14755	3.7
177.09079	4.1
181.10057	6.3
181.12131	3.2
183.11682	16.2
185.13245	6.9
186.05212	67.5
186.06789	4.6
187.05565	4.3
187.11185	4.2
189.12717	8.3
193.10112	4.5
195.11678	7.3
197.13254	4.7
199.11179	5.7
201.12732	9.9
201.16306	5.2
203.14189	17.2
206.08003	14.6
207.11913	2.7
207.13795	9.5
209.13319	4.9
209.15244	2.7
211.14769	7.0
213.12740	3.4
219.13756	6.4
221.13202	6.5
221.15291	64.4
222.15796	3.1
223.14777	3.4
229.15947	6.9
231.13728	3.3
234.16023	14.6
253.15918	3.6
269.19064	2.9
286.19168	4.9
287.19992	7.5
300.20679	5.0
317.21024	3.2
391.26300	9.4
409.27344	66.8
410.27286	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49397	2.9
50.61631	2.8
53.03916	3.6
55.05504	18.4
57.03431	4.1
57.07058	8.5
59.04979	5.9
65.03924	3.8
66.46689	2.7
67.05496	26.0
69.03417	7.1
69.07056	9.2
69.86989	10.5
79.05481	22.8
81.07043	36.0
83.04968	6.4
85.06508	4.9
85.75862	3.4
91.05462	42.3
93.07032	45.1
95.04956	58.4
95.08589	30.0
97.06501	9.9
103.05443	3.6
105.07006	100.0
107.08571	22.7
109.06496	13.0
109.10130	11.8
115.05418	4.6
117.07009	11.2
119.08559	69.1
121.06470	16.3
121.10146	15.4
123.08065	20.0
128.06204	4.8
129.06987	9.2
129.69708	3.1
130.07724	3.7
131.08527	21.0
133.06412	5.9
133.10103	19.1
135.08026	12.4
135.11664	8.3
137.09607	11.2
139.07513	3.4
141.07080	4.3
142.07753	13.5
143.08545	14.4
145.10097	35.1
147.08070	18.1
147.11647	35.1
149.09610	10.2
151.07520	25.7
155.08542	7.7
156.09325	7.1
156.69510	4.1
157.10081	17.0
159.08014	7.8
159.11652	17.0
161.09602	8.1
161.13176	7.0
163.11195	7.9
165.09106	29.3
167.08533	4.9
168.09286	6.6
169.10152	10.2
171.11678	8.6
173.09555	7.0
173.13228	7.1
175.11180	19.7
177.09082	5.5
181.10088	6.4
183.11703	13.1
185.13197	5.7
187.11218	5.0
189.12659	5.2
195.11732	3.1
197.13263	3.7
201.12691	9.9
203.14365	15.2
207.13763	8.4
209.13193	6.1
209.15245	3.7
211.14827	6.6
219.13660	5.2
221.15341	59.6
229.15736	6.1
234.16066	11.9
287.20035	4.5
329.21152	5.6
391.26349	11.3
409.27423	52.9
410.27814	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03933	5.3
55.01843	2.6
55.05504	18.7
57.07061	11.9
59.04987	4.3
65.03938	3.4
67.05496	32.7
69.03415	7.8
69.07057	14.2
71.04968	5.3
71.08634	2.3
73.20956	1.7
77.03910	2.9
79.05476	26.1
79.71483	1.8
81.03420	2.3
81.06617	3.4
81.07049	38.3
82.21040	2.0
83.04966	5.2
83.08599	4.3
85.06528	7.2
89.06014	14.9
91.05473	42.2
93.07030	53.4
94.07360	2.6
95.04958	59.9
95.08587	31.6
96.05252	2.3
97.06526	12.6
103.05448	3.4
105.07011	100.0
107.04914	2.5
107.08581	29.3
109.06506	16.4
109.10141	79.0
111.08070	2.8
115.05403	5.1
117.07016	14.3
119.04887	2.5
119.08562	70.7
121.06492	21.9
121.10094	16.4
123.08057	23.3
123.11647	1.8
127.11175	5.6
128.06190	7.3
129.06999	9.1
130.07782	5.2
131.08545	28.3
133.06485	6.9
133.08592	6.3
133.10104	21.9
135.08058	14.3
135.11673	4.9
137.09636	12.7
141.06976	5.4
142.07751	14.9
143.08553	21.0
144.09306	5.8
145.06499	3.7
145.10086	43.1
147.08005	16.0
147.11671	39.2
149.09616	11.9
151.07513	22.6
153.09062	2.5
154.07730	2.3
155.08508	10.4
156.09306	7.1
157.10120	23.7
159.08000	8.0
159.11656	19.7
160.08821	2.7
161.09618	12.7
161.13223	6.1
163.11163	4.2
165.06995	2.6
165.09088	32.4
165.55334	1.8
167.08546	3.1
168.09283	6.3
169.10139	14.4
170.10857	3.8
171.11676	14.2
172.12065	2.0
173.09572	7.5
173.13226	9.2
175.11163	25.8
175.14833	2.3
177.09120	2.4
179.08507	2.6
180.09119	1.9
181.10085	7.0
181.12204	5.1
183.11690	14.9
185.09558	2.8
185.13190	7.4
187.11186	6.7
188.11858	2.1
189.12646	9.6
191.14290	2.7
193.10074	3.4
195.11667	4.1
196.12482	2.3
197.13188	5.8
199.11201	4.2
199.14857	2.2
201.12776	10.3
201.16354	2.5
203.14272	14.3
207.12038	2.4
207.13751	11.5
209.13210	5.8
209.15259	4.1
211.14775	8.5
213.12769	4.4
215.14336	3.4
216.14987	2.0
219.13777	4.6
221.13336	4.1
221.15317	65.1
222.15643	3.4
223.14798	2.5
229.15834	6.3
231.13843	3.1
233.15331	4.4
234.16127	11.3
235.14665	3.9
235.16827	2.2
239.14668	6.2
247.14517	2.2
286.19220	5.0
287.20068	10.1
300.20782	3.0
317.21014	2.7
329.21051	3.2
391.26096	8.7
393.31961	2.9
409.27322	59.8
410.27432	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
55.01847	2.4
55.05249	1.9
55.05500	19.7
57.03421	1.6
57.07066	9.9
59.04987	3.6
65.03938	3.8
67.05501	20.4
69.03407	10.1
69.07057	10.1
69.24873	1.5
70.21200	1.4
71.04978	2.8
71.06045	1.7
71.44142	1.9
77.03918	2.4
79.05481	21.6
81.03400	2.0
81.07042	34.2
83.04964	5.8
83.08624	2.5
85.06550	5.5
88.56800	1.6
91.05469	35.4
93.06437	2.6
93.07033	53.6
95.04956	62.3
95.08596	30.4
97.06512	9.1
103.05450	3.1
105.04514	3.6
105.07016	100.0
106.07298	2.4
107.08578	27.4
108.57497	1.5
109.06483	14.8
109.10125	9.4
111.08043	3.7
115.05482	2.4
117.07005	12.6
119.04884	2.6
119.08562	67.2
120.08849	2.6
121.06490	18.8
121.10127	17.5
123.08045	19.9
128.06190	3.1
129.07016	8.1
130.07753	3.7
131.08539	26.8
132.54469	1.5
133.06450	6.2
133.10101	20.3
135.08051	11.5
135.11668	4.8
136.42174	1.5
137.05940	1.9
137.09558	12.8
141.06946	1.8
142.07745	11.8
143.08551	15.7
144.09241	1.9
145.06514	3.8
145.10100	38.5
146.10536	2.3
146.69000	1.6
147.08028	23.2
147.11668	47.1
148.08780	2.0
149.09555	11.7
150.10385	1.7
151.07506	26.0
153.06995	2.3
153.09088	3.5
154.07730	1.6
155.08533	9.0
156.09282	4.9
157.10094	24.7
158.10577	2.0
159.08051	4.6
159.11661	17.1
160.08791	1.9
161.09584	11.5
161.13225	6.3
163.11150	7.3
165.06964	2.8
165.09088	46.5
166.09465	2.5
167.08604	3.1
168.09317	4.0
169.10144	10.7
170.10851	3.3
171.11652	10.0
173.09587	6.2
173.13255	6.7
175.11162	33.7
176.11444	2.3
177.09088	4.0
178.09897	3.3
181.10068	4.1
181.12172	1.7
182.10837	1.9
183.11705	11.8
184.12027	1.7
185.09653	2.4
185.13197	8.0
187.11163	5.9
187.14819	3.2
189.12732	8.8
191.14264	4.6
193.10121	2.4
195.11678	5.0
196.12390	3.7
197.11549	1.9
197.13217	3.2
198.13736	1.8
199.11185	3.7
199.14706	2.5
201.12683	9.2
201.16365	3.4
203.14294	18.1
205.02367	1.5
207.11856	3.0
207.13683	11.4
209.13336	2.6
209.15257	3.5
211.11092	1.8
211.14769	6.3
213.12567	1.7
215.14212	3.6
219.13737	4.5
221.13443	3.1
221.15327	91.9
222.15666	4.7
223.14662	3.4
227.14301	2.6
229.15823	5.9
231.13690	3.2
233.15358	4.5
234.16116	17.5
253.15747	2.0
267.17300	2.0
286.19235	6.0
287.20059	11.5
299.41422	1.9
300.20798	6.3
329.21014	7.3
391.26123	5.8
409.27319	44.7
410.27448	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03941	1.7
55.01868	2.4
55.05506	19.1
57.03426	2.8
57.07075	10.0
59.04997	3.7
60.69429	1.3
65.03941	3.4
67.05498	24.8
67.80328	1.2
69.03416	9.4
69.07062	8.3
69.62309	3.0
69.62670	2.3
69.91942	1.4
71.04972	3.0
79.05485	24.3
81.03441	1.4
81.07045	36.8
82.07330	1.5
83.04984	6.7
83.08628	2.9
84.43108	1.6
85.06533	5.5
85.10161	1.8
87.04471	1.3
89.06014	7.4
91.05470	41.3
92.51259	1.3
93.07037	52.5
94.07368	1.4
95.04956	56.3
95.08596	31.2
95.09213	2.0
96.05305	1.7
97.06516	9.9
98.22746	2.6
99.08096	5.7
103.05486	4.2
105.04527	2.8
105.07015	100.0
106.07288	1.9
107.04948	2.0
107.08575	26.5
109.06507	15.7
109.10119	9.2
111.08079	3.9
115.05463	4.2
117.06998	16.1
119.04954	2.8
119.08566	69.1
121.06485	21.3
121.10136	19.3
123.08062	20.3
123.11721	1.4
125.06020	2.1
128.06215	4.1
129.06982	8.1
130.07764	5.0
131.08549	23.8
133.06470	6.5
133.08574	4.1
133.10112	20.8
135.08037	15.5
135.11667	3.8
137.05995	2.4
137.09621	10.1
141.06992	4.6
142.07779	13.4
143.08539	14.8
144.09311	3.9
145.06479	2.5
145.10107	39.6
146.10594	2.1
147.08041	22.7
147.11667	39.4
148.12073	2.0
149.09631	14.3
151.07523	21.7
153.09111	3.2
153.86537	1.3
155.08554	6.4
156.09332	5.5
157.10095	23.7
159.08070	7.8
159.11681	15.1
161.09622	8.6
161.13228	6.9
163.11165	4.5
165.06978	3.2
165.09084	46.7
166.09451	1.2
167.08557	3.6
168.09375	3.4
169.10104	9.1
170.10875	2.1
171.11670	8.4
173.09601	6.6
173.13200	7.1
174.10277	1.4
175.11154	26.8
175.14755	2.0
177.09120	4.4
178.09860	2.4
179.08618	1.5
181.10143	5.7
181.12260	3.1
182.10851	3.0
183.11656	12.5
185.09633	2.4
185.13280	6.2
187.11179	3.8
187.14789	3.4
189.09059	1.5
189.12717	6.2
191.14293	2.4
193.10040	2.6
195.11655	3.3
196.12379	1.8
197.13229	4.2
199.11090	3.3
199.14948	1.8
201.12724	12.0
201.16377	2.8
203.14297	17.9
204.14714	1.8
207.11842	2.9
207.13698	10.5
208.12367	1.5
209.13258	4.1
209.15373	3.4
211.11234	2.4
211.14821	6.1
213.12816	3.6
215.14313	3.6
219.13826	3.8
221.15340	87.1
222.15698	4.4
225.16377	1.5
227.14548	1.7
229.15868	6.1
231.13779	4.3
233.15457	5.0
234.16095	19.7
239.14682	4.6
253.16025	1.7
264.26944	2.1
265.25171	1.9
269.18759	1.8
286.19220	5.1
287.20172	7.4
299.20142	2.7
300.20786	5.5
312.20569	2.0
313.21295	1.7
329.21118	7.4
391.26257	5.8
392.31555	3.7
409.27356	39.7
410.27612	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	409.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42455	3.5
55.05504	100.0
55.05774	5.6
57.03413	6.4
57.07071	4.4
63.56615	3.5
65.47208	3.6
67.00427	4.2
67.05492	23.6
69.03431	6.8
69.07059	12.5
71.13140	3.8
74.61457	3.5
79.05480	29.2
81.03416	6.0
81.06613	4.8
81.07048	43.9
83.04971	12.5
83.08613	54.4
91.05457	21.6
93.07032	33.2
94.26267	4.0
95.04935	17.5
95.08597	28.0
97.06526	9.3
97.10157	25.9
99.08073	11.5
100.74936	3.6
105.07013	37.9
105.38233	3.6
107.08560	14.7
109.06531	7.1
109.10137	9.3
111.08042	6.1
117.07004	8.0
119.08537	32.0
121.06503	6.3
121.10126	12.1
123.08071	25.9
125.09578	25.0
125.53932	4.3
129.07011	6.0
131.08554	13.9
133.10094	8.0
135.08041	9.6
135.11678	7.4
137.09560	5.2
139.11089	3.9
142.07773	7.2
143.08524	12.3
145.10126	17.1
147.08028	7.7
147.11681	16.2
149.09619	6.5
151.07501	8.5
153.12653	4.4
155.08569	4.3
157.10130	6.0
159.11671	7.8
161.13242	4.9
163.11198	9.2
165.09094	13.9
169.10135	7.2
171.10202	4.6
171.11671	4.9
175.11171	9.5
181.10092	5.5
181.12236	6.3
183.11635	7.0
185.13322	4.8
187.11096	4.9
189.11208	34.8
191.10596	5.6
193.12047	3.8
203.14203	5.6
221.06834	4.0
221.15358	15.1
223.13208	3.9
247.89835	4.5
256.07040	4.1
273.18448	12.3
291.19513	60.1
292.19958	4.8
292.87100	4.7
309.20615	21.5
373.27298	5.1
409.27496	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2533
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
53.81675	0.2
56.05020	0.7
58.06592	5.1
61.02923	0.3
64.00018	0.3
67.05488	0.3
68.05018	0.3
69.07566	0.2
69.83273	0.7
71.01333	0.3
71.05000	0.6
72.08142	1.9
79.05479	0.9
81.07020	0.3
84.08136	1.0
86.09686	0.9
88.07617	0.6
91.05436	1.6
93.07037	0.8
95.04980	0.4
96.08127	0.7
98.09663	0.5
98.22794	0.3
105.07006	0.7
107.04936	1.2
107.08577	0.3
108.08104	1.9
114.09161	0.6
117.06998	0.7
119.08546	0.5
122.09659	0.5
123.04415	0.6
123.07967	0.3
126.09135	0.6
129.07007	0.8
131.08582	0.7
133.10132	0.3
134.09668	0.4
138.09102	0.4
140.10695	2.4
141.06984	0.7
143.08551	1.3
148.11176	0.4
155.08525	0.7
157.10106	0.8
159.08012	0.6
159.11690	0.4
165.06998	0.3
166.07735	0.3
167.08513	0.8
169.10115	1.0
171.08023	0.3
171.11719	0.4
174.12741	0.5
179.08633	0.3
181.10152	0.6
183.11694	0.5
187.11185	0.3
190.19276	0.3
192.09349	0.5
193.10175	0.6
195.11604	0.4
197.13269	0.5
200.14279	0.4
205.10100	0.3
205.14603	0.4
207.11694	0.8
209.13121	0.5
211.11327	0.3
213.12753	0.5
221.13287	0.7
225.12764	0.4
226.16084	0.2
237.12640	0.3
241.12292	0.3
251.14334	0.4
271.13214	0.3
286.35376	0.3
294.18546	0.4
312.19571	0.4
324.19617	0.4
342.20551	1.6
343.20966	0.4
344.22244	1.0
348.21603	0.4
356.22144	0.9
360.21597	1.1
374.18488	0.3
374.23187	5.8
374.27515	0.2
375.23651	0.5
378.22760	1.2
392.24243	12.7
393.24496	1.0
395.63217	0.2
410.25296	100.0
411.25641	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	410.2532
Annotation	TK-57-164A
Peak:m/z	Relative Intensity
56.05021	0.9
58.06338	0.4
58.06595	5.1
69.45414	1.7
71.04975	0.4
72.08143	2.1
81.07062	0.6
84.08124	0.5
86.09693	3.2
88.07631	0.5
91.05452	1.5
93.07037	1.3
95.04956	0.4
98.09673	0.5
102.09183	1.0
105.06995	0.9
107.04931	0.8
107.41267	0.3
108.08098	2.4
112.40987	0.3
117.07016	0.9
119.08524	0.5
122.09634	1.2
123.04394	0.4
124.11219	1.4
128.06195	0.5
129.06989	0.9
131.08583	1.0
140.10686	0.4
141.06999	0.8
143.08575	1.1
152.10770	0.5
154.12212	3.8
154.13132	0.3
155.08527	0.9
157.10136	0.8
167.08556	0.8
169.10168	1.0
171.08026	0.3
171.11746	0.4
174.12689	0.4
179.08458	0.8
181.10123	1.1
183.11760	0.6
193.10132	0.5
195.11646	0.6
197.13249	0.6
205.09917	0.4
207.11623	0.7
225.12830	0.4
229.84349	0.3
251.14255	0.3
297.14856	0.4
309.25403	0.4
314.17422	0.4
324.19666	0.5
337.48431	0.3
342.20627	1.8
356.22137	1.4
374.23242	5.2
383.18945	0.4
392.24200	11.8
393.24445	1.0
410.25296	100.0
411.17288	0.4
411.25638	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	410.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.6
55.05505	100.0
57.07081	2.8
59.04982	2.6
65.55172	2.8
67.05505	13.4
69.03440	3.8
69.07065	18.3
69.43172	10.7
71.04998	2.6
79.05485	26.2
81.07049	16.3
81.49498	2.3
83.04981	2.7
83.08113	4.2
83.08614	82.5
90.45399	2.3
91.05467	9.3
93.07030	11.8
95.08598	10.2
97.06519	10.2
97.10163	43.0
98.22704	5.0
98.53880	2.2
105.07001	12.2
107.08582	41.0
109.10145	4.5
111.08081	2.9
117.06994	3.1
119.08564	9.0
121.10155	4.2
123.11691	3.8
125.09624	38.8
131.08572	4.1
133.10126	7.7
135.08034	3.7
137.13251	3.1
145.10077	4.3
147.11697	7.6
149.09589	8.0
153.09106	4.7
159.11621	6.2
161.13211	3.5
170.11879	3.1
171.10091	4.0
181.12247	2.5
189.11203	82.3
197.40152	2.5
229.72816	2.5
235.16911	3.5
239.17914	2.8
253.17940	24.0
257.18954	8.8
275.20029	54.1
276.20377	5.8
293.21198	7.1
315.27933	2.6
347.89618	2.8
357.27802	4.7
410.25854	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	410.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	98.7
57.07071	16.1
62.09468	9.8
67.05497	37.3
69.07053	42.9
69.46808	11.1
69.47131	42.0
71.08599	12.3
79.05466	25.5
79.80545	10.0
81.07043	56.3
83.08594	70.4
85.10165	13.2
89.51601	12.2
91.05476	36.1
93.07018	54.1
93.32028	11.1
95.04940	15.5
95.08591	82.6
97.06539	16.1
97.10188	11.1
100.48724	9.8
105.07007	57.9
107.08590	40.4
109.06492	11.9
109.10136	33.2
119.08547	19.0
121.10132	31.0
123.88389	10.7
131.08536	21.7
133.10136	29.8
135.11652	13.1
145.10115	31.7
147.11661	19.7
149.09662	12.3
151.07518	26.5
157.10008	14.8
159.11685	28.4
161.13274	17.6
163.11189	27.7
172.72754	10.8
173.13249	12.9
177.12692	13.4
177.77516	11.5
179.02516	12.1
181.12271	15.7
275.19968	22.0
350.13452	10.3
410.25159	33.8
411.36227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.3
57.07069	36.2
57.77020	1.0
67.05493	2.3
69.07058	3.1
69.24194	2.3
69.24597	4.8
71.08616	21.4
73.06550	3.7
79.05489	2.1
81.07050	2.4
83.08612	2.3
85.10172	19.9
87.04448	1.3
89.06017	100.0
91.05482	4.7
93.07039	4.0
95.04942	2.4
95.08596	2.8
95.78122	1.2
96.05280	2.2
97.10146	3.0
99.11729	3.8
105.07035	7.2
106.07355	3.4
107.07018	1.8
107.08588	2.5
108.08914	1.6
113.56057	1.2
117.07027	1.5
117.09115	1.2
119.08588	5.0
120.08878	1.8
121.10151	1.5
123.08074	1.7
123.30224	1.2
129.62282	1.2
131.08495	1.1
132.08902	1.4
133.08586	44.9
133.10089	2.2
145.10110	1.4
146.10464	2.9
147.11684	3.0
151.07509	1.9
151.09637	2.6
152.07874	1.3
155.08577	1.6
155.17885	3.3
157.10117	2.0
158.10425	1.6
165.09137	3.1
169.10056	1.5
175.11169	2.3
176.11508	1.6
177.11203	10.7
195.12215	2.1
199.20517	3.9
221.15359	4.2
222.15799	3.4
239.14859	20.5
239.17149	1.9
243.23222	5.1
287.25879	2.2
299.79047	1.2
330.84625	1.1
349.29593	2.3
393.32047	19.6
410.27795	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	411.1984
Annotation	Flumethasone
Peak:m/z	Relative Intensity
50.89504	0.3
70.00035	0.7
70.00402	0.4
78.90796	0.3
88.31476	0.3
107.60199	0.3
163.83861	0.3
209.47345	0.4
219.82851	0.3
411.19824	100.0
412.20181	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	412.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05492	1.5
57.03213	0.5
57.03427	5.9
60.01242	0.5
64.16973	0.5
69.03422	38.1
70.57710	1.0
73.50516	0.5
81.07047	0.9
93.07006	0.7
105.07024	0.9
131.08574	0.7
151.03862	1.0
159.07970	0.6
161.05988	0.8
165.08972	0.6
166.05011	1.2
169.06299	0.5
208.07487	0.7
215.06966	0.8
228.06625	1.1
236.07004	1.3
239.05826	1.1
246.09158	0.7
250.04947	0.7
252.06482	2.3
263.09402	1.0
264.06561	4.7
266.07904	0.6
267.05219	8.3
268.05923	1.1
274.08572	1.0
276.06534	1.9
277.07306	1.6
278.08051	0.8
279.05399	1.0
280.06033	6.8
281.06738	1.7
281.10312	0.7
282.04364	0.9
282.07562	2.1
283.04691	1.0
290.08087	1.4
291.08920	2.2
292.05997	6.4
292.09671	3.9
293.06509	0.8
294.04019	1.6
294.07574	1.9
295.04721	16.2
295.08057	1.3
296.05432	1.9
301.07114	0.7
302.08038	5.2
304.05972	2.9
304.09351	0.7
305.06665	1.1
306.03976	1.1
306.07632	0.8
307.04688	0.7
308.05554	10.0
308.09015	1.1
309.06152	4.1
310.03592	0.8
310.07016	19.8
311.04025	2.4
311.07480	2.0
312.08582	1.0
318.07458	0.9
319.08212	3.4
320.05481	1.1
320.09048	6.6
322.03687	1.0
322.07083	4.5
323.04184	4.8
323.07751	25.1
324.05225	1.1
324.08582	29.3
325.05698	1.3
325.08945	2.0
326.06564	5.6
330.07599	4.5
331.08087	1.0
332.05588	1.7
334.06894	0.9
334.10519	0.8
336.04956	1.1
336.08676	1.9
337.09415	4.4
338.06567	12.2
338.10098	0.8
339.07306	2.4
347.07745	4.3
348.08685	1.2
352.11740	18.4
353.12180	1.9
362.10233	5.3
380.11224	100.0
381.11618	7.5
411.32547	0.8
412.13904	16.9
413.14481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.5
57.03431	30.8
59.04972	5.7
61.02916	8.6
67.05498	3.8
69.03059	6.0
69.03423	84.0
69.07078	5.2
69.15134	5.4
69.15541	16.4
71.04989	6.1
73.02899	16.4
79.05502	5.1
81.03427	9.0
81.07019	5.8
83.08617	8.0
85.02895	100.0
85.03411	5.6
86.09703	11.9
87.04453	51.7
91.03967	4.7
91.05509	7.4
93.07041	7.9
95.08607	4.0
95.40527	2.9
97.02877	71.4
98.23413	8.7
99.04464	5.5
104.10743	10.0
105.06982	6.2
108.48996	3.8
109.02885	8.0
111.08071	4.4
115.03915	85.7
121.06477	16.6
125.00002	4.2
125.06026	3.4
127.03909	22.6
133.04953	100.0
145.04950	35.1
145.10135	6.0
150.07568	11.3
151.07701	3.8
159.11688	6.1
163.05988	9.9
168.50154	3.1
180.33656	3.2
184.07315	13.4
187.40424	3.9
197.11700	4.4
209.32086	4.2
241.07094	3.8
248.77902	3.8
259.08130	5.4
277.09293	4.4
303.55310	3.6
412.24066	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05881	1.2
57.03426	26.1
61.02918	11.1
69.03417	31.1
69.16772	7.0
69.17158	2.4
71.01350	2.4
73.02905	47.6
81.03400	5.1
83.08624	3.8
85.02890	100.0
87.04461	3.7
91.03926	4.2
95.80891	1.5
97.02876	43.9
99.04421	4.5
99.57956	1.5
109.02847	7.7
115.03914	29.8
127.03900	26.6
133.04961	10.1
145.04942	47.8
146.05154	1.3
163.05994	29.2
163.07298	2.6
193.04810	2.0
223.05974	1.9
241.06941	3.2
259.08102	2.7
263.14926	6.7
295.10095	2.3
320.01538	1.3
336.15234	1.4
375.27914	1.5
413.80817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.6
55.05507	8.6
57.03426	37.2
58.06604	2.7
59.05014	3.3
61.02922	6.5
63.22144	2.5
67.05504	5.3
69.03421	96.2
69.07056	5.3
71.04994	6.6
73.02902	16.3
79.05481	6.5
81.03415	10.2
81.07047	4.7
83.08618	5.3
85.02894	100.0
86.09685	6.3
87.04458	54.4
91.03920	4.0
93.07024	5.8
95.04960	3.2
97.02876	77.1
97.06544	3.6
99.04448	7.4
101.09659	2.8
104.10730	14.8
105.07030	6.0
107.08600	3.6
109.02888	5.0
109.06507	3.2
111.08081	5.3
115.03915	96.5
115.04704	5.7
119.08588	3.0
121.06496	16.4
124.99982	5.1
126.67370	2.5
127.03891	21.6
131.08525	3.0
133.04950	98.3
139.07582	2.7
141.09055	3.1
145.04947	35.5
145.10083	6.4
149.05988	2.5
150.07643	8.2
151.07468	2.7
161.50455	2.9
163.05969	14.2
166.12308	3.1
167.10661	7.6
169.04955	5.1
173.09660	3.4
184.07352	12.1
187.11131	3.5
197.09497	3.2
215.10477	2.7
227.21988	3.0
263.14865	4.2
277.05417	2.9
277.09158	3.0
288.38443	3.3
412.24133	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	412.2324
Annotation	Lys Gln His
Peak:m/z	Relative Intensity
55.90829	0.3
56.05022	0.3
56.96551	0.3
58.06591	3.8
58.24028	0.3
58.88020	0.3
68.05000	0.5
69.36614	0.3
69.68499	1.0
72.08146	1.4
79.05471	0.6
84.08140	1.2
86.09689	1.1
88.07594	0.7
91.05456	1.2
93.07037	0.6
96.08116	1.9
98.09692	0.3
98.97559	0.6
105.07010	1.1
107.04932	5.2
108.08092	2.4
112.00800	0.3
114.09154	0.4
115.05439	0.3
116.98584	0.4
117.06986	0.9
119.08535	0.6
121.02876	0.5
121.06451	0.4
122.09637	0.6
122.25778	0.3
126.09145	1.0
128.06232	0.4
129.06966	0.8
131.08528	1.0
133.06435	0.6
133.10118	0.4
135.04300	0.3
138.09171	0.6
140.10681	1.0
141.06955	0.3
143.08559	0.8
155.08459	0.5
157.10104	0.3
159.08102	0.4
169.10146	0.5
171.11775	0.3
179.08534	0.4
181.10062	0.4
193.10117	0.4
195.11646	0.6
197.09642	0.3
208.16350	0.3
219.11319	0.4
219.66100	0.3
220.02208	0.3
233.09613	0.4
242.63538	0.3
297.75787	0.3
310.18024	0.4
330.20477	0.4
340.19022	0.8
358.20059	2.9
376.21106	3.1
394.22180	17.7
394.78857	0.3
395.22510	1.1
412.23199	100.0
413.23553	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	413.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71346	3.9
55.05501	11.1
56.39468	3.8
58.06588	7.8
68.52576	4.0
69.03426	10.5
69.21442	18.8
70.06590	30.6
72.08141	6.0
73.02879	4.5
74.37227	4.6
80.23843	4.1
83.08617	31.1
85.02900	17.1
87.04473	4.7
97.02867	8.5
99.04458	5.5
101.09654	15.0
106.19598	4.6
115.03945	5.4
119.10677	4.5
121.06503	6.0
127.03912	7.8
133.04956	7.8
136.06187	24.6
150.07748	8.0
162.04112	16.2
163.03864	5.1
177.05370	5.8
258.12827	4.6
281.10034	9.3
333.94342	4.6
377.83673	5.7
414.13654	100.0
414.22110	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	413.214
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
59.04980	0.6
69.55511	0.9
98.22707	0.4
109.06490	0.3
121.06496	0.9
137.64272	0.3
189.33127	0.3
203.31700	0.3
229.00725	0.4
251.16235	0.4
252.19101	0.3
268.61807	0.3
280.91513	0.3
307.06445	0.4
323.05624	0.3
339.14066	1.3
395.19601	0.6
413.21375	100.0
414.21704	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	414.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77816	1.6
53.03936	4.6
55.01849	1.8
57.03414	3.0
61.02890	2.0
69.03434	9.6
69.27366	5.0
69.27755	5.0
70.06585	4.3
71.04967	6.4
73.02905	3.2
73.06544	2.0
74.23562	1.7
81.03414	10.9
81.03837	2.0
85.02894	69.6
85.03407	3.5
97.02879	24.0
98.22702	4.1
99.04449	42.9
103.03929	87.5
109.02862	12.4
112.07635	2.8
115.03938	2.6
127.03904	100.0
138.05508	2.6
140.07057	3.4
145.04935	65.1
163.05998	53.9
184.73776	1.8
187.06035	5.5
205.07130	3.2
252.08600	7.7
270.53305	2.1
271.08060	5.2
289.09259	3.8
307.10147	14.2
329.55984	2.0
414.18948	11.3
415.22751	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	414.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
57.03410	3.9
64.46895	2.8
68.16530	2.7
69.03426	9.3
70.06593	5.7
71.05003	3.8
71.12283	2.9
73.02950	5.8
81.03423	13.9
85.02893	69.8
85.03406	4.5
86.09678	4.8
89.23917	3.6
97.02881	25.3
97.41977	3.1
98.22703	7.2
99.04458	35.2
103.03930	100.0
109.02877	11.8
115.03944	6.2
127.03905	99.0
144.67944	2.8
145.04939	61.9
163.06009	56.3
167.72203	3.0
187.06039	5.2
205.07076	5.9
243.29004	2.9
243.59535	2.9
271.08224	2.9
289.09161	8.0
307.10220	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	414.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.4
57.03424	1.8
61.02915	2.3
69.03425	13.8
69.43692	7.8
71.04974	4.8
73.02920	3.5
81.03399	12.7
85.02893	71.8
97.02880	20.1
99.04442	44.2
102.19354	1.5
103.03928	100.0
109.02873	14.9
119.23138	1.6
127.03897	89.6
145.04935	59.2
162.08627	1.6
163.06000	55.4
187.05986	5.1
205.07082	3.0
230.54579	1.6
252.08667	2.4
271.08075	7.4
289.09134	4.5
307.10214	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	414.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
57.38203	0.2
64.05722	0.2
66.35626	0.2
67.05491	0.7
69.19875	0.9
69.20280	0.4
70.06580	0.6
72.04508	1.4
79.05460	0.5
81.07041	0.8
84.08128	0.3
91.05468	0.9
93.07025	1.1
94.06548	0.6
95.08588	1.7
98.16228	0.2
105.07027	1.7
107.08556	0.7
108.08086	0.4
112.07523	0.2
117.06965	0.7
119.08566	0.8
120.08092	0.3
121.10141	1.1
121.41254	0.2
128.06187	0.5
129.06978	3.3
130.06558	0.5
131.07402	0.3
131.08560	1.1
132.08008	0.4
133.10106	0.3
134.09607	0.4
141.06953	0.7
142.06500	0.5
142.07681	0.2
142.29182	0.2
143.07317	0.7
143.08543	1.3
144.07985	1.1
145.10114	0.9
146.09573	0.4
148.11220	0.3
153.07014	0.2
155.08505	1.1
157.08951	0.2
157.10133	0.8
160.07538	0.3
160.11147	0.3
165.07103	0.3
167.07159	0.2
167.08569	0.7
168.09306	0.4
169.10107	0.9
174.12656	0.2
178.07823	0.3
179.08603	0.8
181.10054	1.0
183.11742	0.5
192.09396	0.3
193.10106	1.4
195.11694	0.6
202.08676	1.2
203.08620	0.3
204.10315	0.3
205.10127	0.4
206.10661	0.3
207.11667	0.8
217.10106	0.3
219.11761	0.6
221.13348	0.4
223.14752	0.3
230.10849	0.2
231.11812	0.3
233.13205	0.5
234.13969	0.3
235.14798	0.3
237.45523	0.2
238.15802	0.2
248.14232	0.4
249.16354	1.7
266.19012	1.2
276.17426	1.7
277.15741	0.4
294.18463	5.8
295.19092	0.6
312.19507	1.5
336.19421	1.0
347.80893	0.2
354.20566	3.5
355.21179	1.1
396.21576	0.9
414.22681	100.0
415.22992	9.9
415.28564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.1
57.07064	11.0
58.06593	2.3
67.05508	2.0
69.06488	0.9
69.07056	22.7
69.07616	4.3
71.08627	7.2
79.05467	0.9
81.07033	4.3
83.08602	21.9
85.10176	3.6
95.08597	3.2
97.10158	20.3
98.10507	0.8
102.05520	13.9
102.06129	1.2
104.07090	100.0
105.07439	1.3
109.10169	0.9
111.11707	10.4
121.10146	1.5
125.13254	2.7
139.14825	1.3
163.14859	1.5
186.81148	0.9
212.20029	0.8
240.19275	0.8
275.27353	3.1
293.28320	9.5
396.34695	13.5
403.76563	0.9
414.35672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96279	0.5
56.96556	9.0
60.55660	0.2
62.49377	0.2
70.69213	0.3
71.95248	0.6
84.53754	0.3
87.04453	0.4
97.02846	0.4
97.09598	0.3
98.97566	87.8
99.97912	0.5
105.05476	0.3
110.97635	0.3
115.03944	0.4
116.98603	39.5
130.93283	1.0
134.99634	9.3
136.06166	1.0
140.00151	0.4
153.00676	0.6
154.93358	0.4
161.18799	0.2
172.94336	4.6
190.95367	4.2
197.95094	0.5
208.96414	0.7
214.95297	3.3
219.01801	0.5
223.51401	0.2
230.98546	0.4
231.34221	0.3
232.96429	7.0
237.82040	0.3
242.49619	0.3
250.97464	3.5
256.96402	16.0
257.96555	0.3
274.97455	100.0
275.97800	2.5
292.98511	52.9
293.98880	1.6
297.99057	1.1
310.99637	0.4
330.93063	0.3
372.94196	0.5
390.95712	0.3
414.95224	3.2
415.95563	0.4
432.96338	5.0
433.96622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46735	0.2
54.98639	0.3
56.96561	8.8
66.14497	0.2
70.94279	0.3
71.95241	0.4
98.97575	89.7
99.97890	0.7
116.98612	39.8
117.98926	0.4
122.93830	0.3
130.93292	0.7
134.99641	9.0
140.00201	0.3
153.00735	0.9
154.93410	0.4
162.49379	0.3
163.90114	0.3
164.76253	0.3
172.94342	4.4
190.95389	3.6
197.95181	0.3
208.96355	0.6
214.95337	3.4
214.97227	0.3
230.98508	0.3
231.03419	0.2
232.96440	7.2
244.91620	0.3
250.97505	2.8
256.96405	17.1
257.96857	0.3
274.97482	100.0
275.97781	2.9
276.97925	0.3
277.00833	0.3
292.98532	54.0
293.98764	1.3
294.99039	0.3
297.99048	1.0
310.99680	0.5
316.00311	0.4
324.04184	0.3
385.30231	0.3
414.95294	3.5
427.61069	0.3
432.96411	3.8
433.96286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34559	0.3
56.71332	0.3
56.96280	0.5
56.96556	9.6
69.03394	0.4
71.44695	0.5
71.95232	0.4
72.41248	0.3
85.02881	0.7
86.09693	1.2
98.97566	89.7
99.97896	0.5
110.97557	0.5
113.02278	0.4
116.98604	43.0
117.98928	0.6
121.06450	0.5
128.98602	0.5
130.93288	1.1
132.10199	0.5
134.99632	12.0
138.57129	0.4
140.00157	0.4
143.01904	0.5
145.03387	0.4
153.00603	0.4
154.93301	0.6
158.98486	0.3
161.02948	0.7
172.94334	5.0
188.03603	0.3
190.95389	3.6
197.95125	0.4
208.96437	1.0
214.95328	3.8
219.04947	0.8
232.96404	7.4
237.02838	0.6
237.06015	1.1
250.97491	2.7
256.96408	16.1
257.96530	0.4
274.97458	100.0
275.97842	2.4
292.98514	54.1
293.98779	1.7
294.05740	0.9
294.98685	0.4
297.99033	1.2
310.99210	0.5
316.00003	0.4
330.93140	0.4
337.07162	0.4
373.09708	0.7
399.45050	0.4
414.23444	0.5
414.95279	3.5
415.10785	0.9
416.26111	0.4
422.84583	0.4
432.96378	4.6
433.97012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50415	1.0
53.27383	0.9
56.96556	21.7
57.03420	1.2
58.06591	1.8
62.13054	1.0
63.71628	0.9
69.03421	2.1
70.60754	1.3
72.08144	1.6
84.96033	8.7
85.02901	2.4
85.06541	0.9
86.39093	0.9
87.04429	1.2
91.05833	1.4
97.02865	2.5
98.97570	66.1
103.07565	2.8
110.97557	19.4
110.98266	1.3
112.99109	1.9
116.98610	33.4
124.99190	1.6
128.98593	22.1
131.00169	3.2
134.99638	11.2
140.98586	3.3
143.00151	6.6
144.98100	3.4
146.99631	11.4
149.01190	1.4
155.00125	0.9
158.99599	8.1
160.99071	1.7
161.01227	7.3
162.99167	2.9
163.00583	2.1
170.99571	5.7
177.00696	9.2
179.00117	8.6
181.01747	4.4
181.05096	1.0
185.01288	1.3
189.00731	4.8
190.95381	1.4
193.01778	4.0
195.01797	1.8
197.01204	18.7
199.02794	8.4
201.00687	3.9
209.01143	1.6
211.02745	13.5
215.02290	4.9
217.03915	1.8
217.11732	1.0
219.01741	25.9
223.02789	2.0
227.02245	5.7
229.03798	28.5
232.96368	2.5
235.02835	1.6
237.02768	43.6
239.02328	2.6
241.03860	2.6
245.03343	1.7
247.04866	3.6
252.12392	1.2
253.03795	14.2
253.12776	1.3
255.03809	1.7
256.96432	2.7
257.03308	4.4
261.12332	1.1
265.03851	2.4
271.04852	14.8
274.97430	23.7
283.04947	1.8
292.98483	11.3
295.04773	5.4
306.13361	1.3
307.04944	4.7
325.05966	2.5
343.06708	1.2
344.97757	1.2
355.06976	84.3
356.07281	5.0
373.08014	100.0
374.08395	6.3
396.09628	2.1
414.26361	3.2
415.09085	9.5
415.14294	1.9
415.26291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.9
66.92567	6.2
69.07059	8.7
81.07031	15.2
90.45232	6.1
91.05782	7.1
93.07030	6.0
103.54779	7.1
105.07009	7.3
109.10164	6.4
158.58900	5.9
206.30986	6.5
235.07535	7.3
247.07576	15.5
247.09818	6.6
262.09793	38.6
263.06894	8.9
278.09305	24.9
279.10153	14.0
293.11731	100.0
294.12299	22.1
295.09540	12.2
310.14313	25.9
325.14005	9.4
338.13660	33.0
347.76666	7.5
416.23880	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	415.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58511	0.5
55.05507	1.8
56.05013	1.0
57.07077	1.0
58.06590	100.0
59.06914	0.9
67.05504	2.3
69.07056	3.0
69.60559	0.6
72.78976	0.6
73.29352	0.5
79.05481	1.5
81.07034	4.2
83.08630	1.8
86.06044	0.8
86.09689	2.4
86.21935	0.6
88.15959	0.7
91.05457	16.1
93.07036	2.6
95.08592	4.6
97.05130	0.5
97.10177	1.2
98.09691	0.6
98.97598	0.8
104.42690	0.6
105.07035	2.7
107.08591	2.7
109.10115	3.3
111.05571	1.4
113.07128	1.1
113.09653	0.7
114.09143	1.0
115.05465	1.5
115.08669	10.5
117.05759	1.8
117.07003	0.7
118.10734	0.6
119.08555	1.7
121.10148	1.5
123.11714	1.9
129.87041	0.7
130.06517	1.7
131.08565	1.0
132.08064	28.3
133.10123	1.3
135.11731	1.1
137.06003	0.9
143.08156	4.0
144.08060	1.4
145.10062	1.1
146.09613	5.3
147.11664	2.0
149.09593	0.7
149.13263	0.7
158.52045	0.6
158.54509	0.6
159.11699	1.3
160.07532	1.2
161.13264	2.6
161.57292	0.6
171.09181	1.0
171.14867	5.5
173.13358	0.6
178.12212	0.7
188.07068	1.3
189.10197	42.9
190.10548	1.2
197.13373	0.6
199.11247	0.6
199.14505	2.7
203.14363	0.6
204.88429	0.7
210.16089	0.9
217.09680	20.5
218.09932	1.1
238.15347	3.1
239.15527	0.8
253.19614	0.9
256.18088	7.4
257.18533	0.7
271.20593	0.8
274.15408	0.8
279.87875	0.6
289.21771	1.0
301.15353	0.7
302.01923	0.7
302.14938	34.5
303.15344	2.3
312.16956	13.4
313.17130	0.7
330.17941	2.8
358.21259	2.5
379.33661	1.1
397.22433	0.8
397.34995	1.5
415.23401	4.7
415.35812	3.8
416.24225	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
56.05029	1.7
58.06592	100.0
59.06931	0.7
67.05500	0.4
68.68926	0.4
69.07043	2.3
70.51658	1.0
73.04743	0.6
81.07046	1.5
83.05047	0.5
83.08620	0.6
86.09692	7.6
91.05459	9.5
91.05975	0.7
93.07069	0.5
95.08591	0.7
97.07671	0.5
98.09652	0.9
105.06985	0.6
107.08631	0.6
109.10176	1.0
113.07147	1.6
114.09167	1.9
115.05454	0.9
115.08669	2.4
117.05781	0.9
129.07010	0.6
130.06544	2.1
131.07289	0.8
132.08070	21.4
133.08459	0.8
133.10092	0.6
137.05954	0.4
143.08157	0.8
144.08105	1.5
145.10114	0.5
146.09625	3.1
148.38596	0.4
158.09673	0.5
160.07556	1.1
171.09230	1.2
171.14900	13.4
172.15269	0.9
173.10681	0.5
178.12228	0.5
181.13272	0.5
188.07059	2.9
188.11853	1.7
189.10197	12.1
189.11807	0.7
199.10788	0.5
199.14409	7.5
200.11806	1.4
210.15993	2.2
217.09674	8.1
227.15302	0.6
238.15508	5.6
239.15454	1.6
245.95924	0.4
249.72743	0.5
256.18054	14.4
257.18649	0.7
284.17575	1.5
301.15536	0.9
302.14948	7.5
302.18176	0.8
312.16998	23.5
313.17468	1.5
327.17075	1.2
330.18057	7.8
331.18216	0.6
344.98355	0.5
358.21201	7.1
359.21460	0.6
397.22388	0.6
415.23367	10.8
415.31863	0.7
416.23965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05495	5.1
98.22586	1.8
117.06998	1.2
119.08567	50.8
119.09408	2.7
120.08913	2.6
121.10123	1.3
133.06509	1.3
345.20438	1.5
415.28116	100.0
416.28427	11.4
418.71664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26395	0.5
65.54212	0.5
72.04502	0.8
73.04727	0.6
79.05478	0.7
83.04934	0.7
86.16253	0.6
91.05460	2.0
95.08597	1.0
105.07030	0.7
105.20522	0.5
114.07364	0.6
117.07023	1.2
119.08563	28.6
120.08917	0.6
126.20302	0.6
131.08522	0.9
133.28511	0.6
134.44109	0.5
137.42270	0.5
145.10139	0.6
176.23018	0.7
234.44449	0.6
236.67494	0.7
333.20615	0.7
379.20944	0.7
397.34412	1.3
415.28122	100.0
416.28491	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	416.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01864	2.0
55.61264	1.1
57.03426	5.6
61.02925	9.2
69.03420	16.3
69.30110	5.2
71.04990	1.8
73.02912	2.6
81.03410	6.0
85.02893	100.0
86.03198	1.1
87.04465	2.6
91.03940	6.4
97.02878	23.5
98.22705	2.2
99.04439	3.5
109.02863	8.7
127.03897	26.6
138.03300	1.0
145.04941	58.6
146.05275	1.4
163.05989	28.3
168.39600	0.9
182.52097	1.0
231.89262	1.0
233.54860	1.0
237.13185	1.7
427.98843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01875	2.3
55.53126	1.0
57.03423	5.5
61.02922	8.9
69.03416	14.6
69.39866	2.8
69.40267	2.0
71.04981	2.0
73.02912	2.8
81.03411	5.5
85.02892	100.0
87.04463	1.9
91.03944	5.1
94.06698	1.0
96.82521	0.9
97.02882	21.8
98.25984	0.9
99.04447	4.2
109.02863	8.9
127.03899	22.3
127.05412	1.1
145.04939	45.9
163.05988	22.5
181.54863	1.0
237.13359	1.9
254.50258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47586	1.3
50.54702	1.4
56.96554	9.5
60.17355	1.4
62.12907	1.5
66.25420	1.5
69.30340	7.1
88.32000	1.7
98.97567	81.7
99.97900	1.9
100.97189	2.7
100.97959	1.7
116.98605	52.9
130.93237	1.6
131.22975	1.5
134.99648	16.5
172.94264	3.9
174.08716	1.6
184.28374	1.4
190.95364	2.9
214.95389	1.9
231.31735	1.5
232.96478	8.3
250.97559	4.1
256.96411	13.1
258.96686	2.9
258.99783	6.1
274.97473	100.0
275.97842	5.1
276.97491	14.2
277.00873	6.3
278.96405	1.7
292.98514	53.6
294.98444	7.1
297.99088	2.3
322.76740	1.6
398.97473	4.8
416.98883	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	417.1539
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.72960	0.7
51.02370	0.7
51.75412	0.8
53.03918	0.9
54.57526	0.7
55.01849	2.1
57.16533	0.7
60.25677	0.8
65.03928	3.9
67.05474	2.5
69.03423	1.2
69.07021	1.3
69.70600	0.7
71.44934	0.8
77.68647	0.8
78.04690	2.7
79.05492	5.6
81.03386	1.4
81.07031	1.8
82.04180	1.6
85.02907	4.2
86.80652	0.8
90.04697	1.2
91.04019	0.7
91.05451	4.3
92.98190	0.9
93.03372	1.2
93.07028	1.2
95.04973	3.9
95.08607	1.4
97.06506	2.1
100.10607	0.8
103.05454	17.9
105.03362	1.9
105.04472	1.1
105.07005	4.1
106.04154	1.6
107.04948	8.5
107.08518	1.3
108.02056	1.2
110.03636	1.9
111.04427	1.0
115.05431	5.2
117.07000	7.7
118.04141	5.2
119.04863	1.6
120.05698	1.4
121.06425	1.4
122.03619	1.2
123.04415	7.5
124.05233	3.5
125.05996	2.3
127.05415	0.9
130.04147	2.0
131.04918	14.2
131.08578	0.8
132.83122	0.8
133.02873	1.9
133.06476	2.7
134.03705	0.8
135.07973	0.9
135.11636	1.1
135.70172	0.7
137.02267	1.0
137.05980	1.1
141.07027	0.9
142.02632	0.7
145.06461	9.9
146.03519	0.9
147.08011	1.5
148.05167	13.1
149.05917	1.5
151.03885	2.1
152.04648	2.4
153.05455	2.9
155.06015	4.3
159.08073	1.6
163.07500	15.3
167.07014	100.0
168.07370	3.7
171.06558	4.3
173.05962	17.0
174.06374	1.0
175.07532	2.1
176.04620	1.6
181.04935	70.9
182.05315	1.9
191.07004	62.6
192.07320	2.6
193.04991	1.0
193.08572	1.1
195.06519	2.5
201.05421	1.5
205.08543	3.7
207.06445	1.2
209.08000	2.0
219.08250	1.2
219.10190	2.7
221.08018	1.1
233.08055	8.8
234.08562	1.3
235.09641	5.0
236.37788	0.8
241.08818	0.7
263.09125	3.4
290.15512	0.8
295.09735	1.0
307.09262	1.0
323.09027	1.2
357.13086	1.0
381.13229	1.2
385.12570	2.6
387.14291	12.9
388.15216	1.0
399.14325	1.6
417.15408	27.4
418.15915	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	417.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	1.0
55.69370	0.6
65.03944	3.8
67.05498	2.7
69.03411	1.1
69.07047	1.4
69.23843	4.2
69.63259	0.7
78.04700	3.0
79.05486	4.9
81.07056	1.7
82.04189	1.9
82.36106	0.7
85.02901	3.9
88.68783	0.6
91.05457	3.9
93.03384	1.2
93.07036	1.5
95.04959	3.7
95.08575	1.9
97.06533	1.3
98.22706	1.6
102.04661	0.8
103.05457	16.9
105.03376	1.7
105.04463	0.9
105.06992	3.8
106.04150	1.7
107.04937	6.9
107.08568	1.3
108.02129	0.9
109.10149	0.9
110.03658	2.4
110.37027	0.8
111.04421	1.1
115.05447	5.4
117.07002	6.0
118.04151	4.1
119.04927	2.0
119.08580	0.9
120.05694	0.9
121.06497	1.4
123.04404	6.9
124.05220	3.5
125.05978	2.5
130.04137	1.0
131.04910	12.8
132.05730	1.1
133.02864	1.6
133.06474	2.2
135.04373	0.8
135.08018	1.3
135.49547	0.7
137.05927	1.7
138.03127	1.5
142.02643	0.7
143.08498	0.7
145.06490	11.3
145.10234	0.7
146.03566	1.1
147.04494	0.8
147.07957	1.2
148.05170	10.2
149.05783	0.7
151.03891	1.1
151.07538	0.7
152.04697	1.9
153.05486	3.8
155.05978	4.0
155.07098	0.7
159.07977	1.5
161.05966	2.1
163.07526	14.2
164.07961	0.7
167.07021	100.0
168.07356	2.2
171.06508	3.4
173.05980	12.9
175.07518	1.5
176.04707	2.2
179.08429	0.8
181.04938	64.8
182.05272	2.5
191.07010	50.0
192.07318	1.4
193.08633	0.8
195.06473	1.9
201.05396	1.2
203.07018	0.8
205.08603	2.9
207.06383	1.4
209.08046	1.3
219.10144	2.4
233.08014	9.4
235.09584	4.8
245.08087	1.1
263.09106	2.6
279.10049	0.8
353.08551	1.7
357.13284	1.1
381.13239	1.1
385.12677	3.2
387.14294	9.7
388.14423	0.8
399.14383	1.1
416.28775	1.3
417.15408	22.1
417.23865	1.0
418.15692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20642	0.4
55.05505	7.2
56.05025	2.2
57.03455	0.4
57.05809	0.8
58.06592	0.5
69.03421	0.6
69.07052	1.0
69.21918	2.5
70.06602	0.6
72.08144	100.0
73.08475	1.4
74.86479	0.4
84.04489	24.1
85.02892	1.4
86.09693	48.7
87.10024	0.7
96.04476	1.4
97.02850	0.7
98.22684	0.8
102.05531	15.6
104.94540	0.5
110.06026	0.5
113.07112	1.1
129.06554	4.4
140.06985	0.5
141.06570	3.3
142.05046	0.4
143.11761	0.6
152.10719	2.2
159.90730	0.4
163.94066	0.5
170.11732	5.6
175.10762	26.6
176.11111	0.6
185.16463	2.1
197.12825	13.8
197.14592	0.8
198.13104	0.5
213.15953	1.2
215.13882	40.5
216.14218	1.3
225.12286	6.4
237.10921	0.5
243.13377	24.5
244.13800	1.3
296.19684	4.9
324.19052	3.4
342.20187	1.5
417.13763	1.4
417.24240	1.2
418.25980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3723
Annotation	gamma-Tocopherol
Peak:m/z	Relative Intensity
53.03936	0.3
55.01862	9.9
55.05496	0.7
57.07062	1.2
60.90606	0.3
67.05498	1.5
68.00763	0.3
69.03406	0.4
69.07053	0.7
69.08775	1.7
69.09184	0.8
69.43920	0.3
71.08631	0.9
79.05472	0.6
81.07040	1.2
85.10162	0.5
91.05492	0.4
95.08595	1.5
97.02879	23.1
97.10138	0.4
99.04464	1.9
105.07003	1.1
107.08582	0.5
109.06511	0.7
109.10099	0.6
111.04409	0.9
115.03916	9.5
119.08531	0.8
121.10139	0.6
123.08063	0.9
133.10068	0.5
143.86089	0.3
146.37215	0.3
151.07515	30.4
152.08122	1.5
165.09090	12.4
166.09444	0.6
169.08582	17.6
170.08943	0.4
179.10631	5.1
180.77782	0.4
192.10185	1.6
193.12192	3.6
207.13744	2.3
221.15454	2.1
235.16884	1.1
249.18504	0.4
263.19897	0.4
266.44482	0.4
305.24792	0.4
361.30557	0.5
417.37198	100.0
418.37479	8.3
418.42755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07354	1.5
55.05507	1.9
55.10789	1.5
59.69325	1.5
81.30457	1.6
83.08630	2.2
85.57133	1.6
95.08572	2.8
100.11263	3.5
109.12932	1.8
123.04420	1.6
131.69041	1.9
152.06267	1.6
153.07060	1.6
165.07010	3.1
167.07031	9.7
167.08342	1.5
168.07401	4.7
169.06416	2.1
181.04974	4.4
181.06517	2.4
182.05341	2.7
182.07222	3.1
183.08066	2.5
185.06003	1.9
195.08144	2.3
196.07668	1.6
197.06012	3.8
198.06783	5.1
198.09186	5.6
199.07639	1.7
199.09917	4.1
210.06789	7.4
210.09117	2.4
210.14763	1.7
211.07520	5.3
211.09697	2.6
212.08543	3.7
212.10303	1.5
213.09082	10.1
215.10677	4.2
221.08057	1.8
224.08574	1.9
224.26306	1.5
225.05630	2.1
225.09087	13.7
226.06256	4.6
226.08597	5.4
227.06981	6.4
227.09409	6.2
237.07773	3.2
238.06236	3.8
238.08565	4.2
239.06976	10.8
239.09406	9.9
240.07774	2.3
241.08582	50.0
242.05530	1.7
242.09261	6.1
242.11760	21.2
243.10168	5.0
252.10178	3.1
253.04976	3.9
253.08617	13.0
254.07959	2.9
254.09445	3.3
255.06496	9.1
255.09016	7.8
257.08087	5.7
259.09766	2.5
265.07556	3.0
266.08215	4.6
267.08850	6.3
268.09750	3.3
269.08081	25.8
269.10712	2.6
270.08740	11.4
270.11264	30.8
271.09409	2.1
272.06885	2.1
273.11176	12.6
280.09756	2.6
281.08112	4.5
282.07681	5.3
282.11102	2.3
283.08405	8.0
285.11182	5.9
287.05386	15.9
287.08426	2.8
295.08197	2.9
296.09338	3.1
298.10733	73.9
299.11218	5.0
300.12524	1.8
301.10590	24.2
310.10550	2.0
311.08780	1.9
312.12192	3.3
313.10706	5.8
317.40250	1.9
326.10159	50.2
327.10620	3.0
328.11981	2.8
329.10065	36.6
330.10083	1.8
330.13370	33.7
331.13589	2.4
340.11752	12.5
344.11331	5.2
354.09784	2.6
358.12814	100.0
359.13251	9.2
368.11285	5.7
372.14404	4.0
386.12381	3.3
400.14230	2.6
418.15048	14.2
436.48230	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.05499	1.3
58.06588	0.7
60.96749	0.4
69.03406	1.1
73.41988	0.4
77.80556	0.5
78.04705	0.6
79.05480	1.2
79.23798	0.4
81.03391	2.3
85.02884	1.1
85.55118	0.4
89.03895	5.7
91.05468	1.9
91.07565	0.6
93.07030	1.8
93.52192	0.5
95.04948	1.4
97.02853	0.8
98.23512	1.0
101.30846	0.5
103.05446	1.5
105.03382	11.3
106.04207	0.5
109.02869	1.4
117.03362	19.4
121.02841	0.6
121.06495	20.7
127.03893	1.3
134.03542	0.8
135.04433	0.8
145.02831	49.4
146.03143	1.3
149.02345	1.8
149.05974	6.6
150.77438	0.5
152.10680	8.0
160.74307	0.5
161.09558	0.7
167.06981	0.6
177.05450	100.0
178.05801	3.9
216.58765	0.5
221.08192	0.7
239.09145	2.4
239.12817	1.2
249.07544	1.9
287.05496	12.0
321.09662	0.9
339.10666	1.1
340.22949	0.5
386.23077	1.0
400.24756	1.9
418.18558	3.5
418.25766	18.6
419.18558	0.6
419.26068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02369	0.7
53.03941	2.0
57.03462	0.4
58.06609	0.3
65.03933	0.3
69.03422	2.6
69.57107	1.2
71.04997	0.4
72.08156	0.3
72.63733	0.4
74.67026	0.3
77.03914	2.1
79.05475	1.5
81.03407	6.6
85.02888	3.2
91.05467	4.7
93.07033	9.2
95.04953	7.7
97.02885	3.0
98.23378	0.6
99.04469	0.8
103.05457	5.7
105.03381	53.8
105.04519	2.6
105.94107	0.3
106.03719	1.0
108.05778	0.3
109.02857	3.4
121.06489	100.0
122.06055	0.5
122.06813	2.2
123.04424	3.5
127.03897	2.8
136.03918	0.4
137.02316	2.3
145.04961	1.0
152.10684	41.0
153.11024	1.3
194.08147	0.6
195.02858	0.6
207.27234	0.3
249.07555	7.4
250.07924	0.4
267.08646	1.4
287.05502	0.5
326.21204	0.3
354.20328	0.5
382.16385	0.4
386.23178	2.5
418.18466	16.9
418.25668	11.1
418.31311	0.6
419.18842	1.4
419.26276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70092	0.8
56.96326	0.5
56.96556	8.5
57.03429	0.8
60.95819	1.5
69.03429	1.2
70.06584	1.2
72.08112	1.0
84.04501	1.2
84.08137	3.8
84.96007	1.2
85.02881	1.7
86.09666	2.0
88.17575	0.8
96.08075	0.7
97.02854	0.7
97.96779	0.8
98.97562	24.5
102.96855	5.3
105.03363	2.5
110.97535	8.8
112.92238	0.9
114.76955	0.8
116.98603	15.7
119.01890	0.7
120.08033	1.2
120.97887	4.0
128.98593	8.3
129.10205	1.9
130.93274	10.1
133.04900	0.8
134.99640	7.0
138.98914	2.3
143.00162	0.7
146.99644	4.4
148.94275	3.8
152.98627	0.9
154.93245	16.3
158.92857	1.2
158.99611	1.2
161.01172	1.5
163.03856	1.9
172.92828	1.4
172.94318	26.8
173.01224	0.6
176.93732	1.2
177.00603	0.9
180.94775	1.2
188.62334	0.7
188.97401	0.8
190.95378	25.3
196.94279	11.7
196.95963	0.9
198.19080	0.6
198.95892	2.5
200.93826	2.0
200.97406	1.3
202.95476	1.8
204.96922	1.1
208.94299	3.6
208.96400	6.8
212.97400	2.7
213.94516	1.5
214.03732	0.7
214.95357	56.9
215.95760	1.1
216.96931	3.5
218.94803	3.7
219.01682	3.4
220.96309	0.6
222.95869	2.1
224.97404	0.8
226.95345	19.1
228.96947	2.9
230.98495	3.8
231.95679	1.3
232.04958	0.9
232.96413	100.0
233.96802	2.6
234.97353	0.6
236.95827	2.5
237.02771	4.7
238.95370	0.8
240.96922	9.3
242.94896	2.6
242.98473	1.8
244.96420	22.5
246.97981	4.3
250.97498	17.9
255.95601	0.9
255.97974	1.3
256.96384	18.6
257.05170	1.0
257.96677	0.9
258.97986	18.6
259.98291	0.9
260.95847	8.0
260.98816	0.9
260.99457	0.8
262.97372	3.6
263.09790	0.7
268.96390	12.7
270.98087	0.7
272.95847	0.9
273.96640	2.2
274.97452	25.1
276.99078	3.4
278.96774	16.8
278.99872	0.8
279.07376	1.8
286.97452	41.1
287.97784	1.0
292.98526	6.7
296.94760	0.8
296.97858	9.0
297.98697	0.8
298.97464	4.0
299.01099	1.8
304.98474	14.9
314.96945	1.1
316.98547	20.7
317.01978	1.8
329.02081	1.4
332.97919	1.2
334.99536	27.6
347.03333	1.1
353.00504	4.2
359.03568	6.2
359.08414	2.6
377.04269	57.4
377.09039	2.3
378.04553	1.9
395.05313	57.2
396.05597	2.8
397.05316	0.9
400.05856	1.3
413.06467	2.6
418.06830	1.8
418.21878	1.5
419.05301	26.0
419.14960	14.2
419.22418	2.4
420.05618	1.8
420.23859	2.0
437.06323	15.3
438.06622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.16687	0.6
55.01849	0.8
57.03213	0.5
57.03430	5.5
57.13668	0.7
61.02902	2.1
71.46152	0.8
73.02906	12.0
73.06242	0.6
75.28708	0.7
81.95219	0.6
105.07008	0.9
107.04910	1.0
107.08646	0.8
111.00771	0.9
115.03905	0.8
121.02837	3.4
137.02306	1.2
145.06427	0.9
153.01788	4.3
157.06442	0.8
165.01881	1.7
167.06999	0.8
181.04904	1.0
183.02835	0.8
213.05374	1.2
231.06442	0.8
281.68250	0.8
287.05453	100.0
288.05832	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	419.0967
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
51.07978	0.1
53.07242	0.2
63.27551	0.2
68.99776	0.6
79.05476	0.3
81.07053	0.2
88.30611	0.2
95.04957	0.2
95.87545	0.2
98.22701	0.5
103.05463	0.2
105.03370	0.5
107.04948	0.3
109.02863	0.4
111.00768	0.6
121.02840	3.0
121.16171	0.1
125.02672	0.2
127.03867	0.3
129.07028	0.4
131.04890	0.2
133.02800	0.4
135.04324	0.2
137.02336	0.9
145.06485	0.4
147.04375	0.6
153.01802	4.1
157.06459	0.4
165.01833	2.2
171.04416	0.2
182.05283	0.1
183.02858	1.0
185.05899	0.8
203.03319	0.2
203.07121	0.2
213.05438	1.3
231.06473	0.6
241.04953	1.0
258.05194	1.3
259.05942	0.4
269.04349	0.2
287.05453	100.0
288.05765	4.6
419.09650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11923	0.5
55.01831	0.4
56.53504	0.4
58.06600	2.8
70.06586	0.9
71.06828	0.5
72.08142	1.8
74.06073	0.7
76.92281	0.4
79.05464	0.6
81.07037	0.5
84.08138	0.6
85.02886	1.3
86.09685	1.8
93.07010	0.7
98.09688	2.3
99.09961	0.5
114.37883	0.5
127.03907	0.7
167.16502	0.5
176.10670	0.6
177.09050	0.5
253.08369	0.9
275.11014	4.6
287.05389	0.5
298.14505	0.5
317.12036	0.7
357.11017	0.7
357.15164	10.5
357.19586	0.8
358.15527	0.6
358.23691	0.5
359.08960	0.5
359.13052	6.7
360.14163	1.1
401.14145	0.7
402.22894	2.0
418.25790	2.6
419.15125	100.0
419.26260	7.0
420.15466	5.5
420.23557	3.0
420.28467	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50442	0.4
53.03927	1.5
55.01864	2.3
55.05505	11.8
57.03419	1.5
57.07053	1.7
60.58961	0.4
65.03912	0.8
67.05157	0.8
67.05495	13.4
68.77036	0.5
69.03408	1.2
69.06705	0.7
69.07058	11.1
71.04977	1.5
79.05481	18.4
81.07046	33.2
82.07382	0.6
82.44900	0.4
83.04980	5.2
83.08600	2.9
85.06528	1.2
91.05466	14.3
93.07031	17.1
95.04953	4.8
95.08591	10.7
97.06515	2.4
97.10114	0.7
99.62753	0.4
103.05434	0.8
105.04493	0.8
105.07015	17.7
107.04930	5.5
107.08577	10.0
108.08820	0.5
109.06500	8.6
109.10131	4.9
111.08054	1.7
115.05436	0.7
117.06998	5.2
119.08565	9.6
120.08852	0.5
121.06488	9.5
121.10124	5.7
123.08042	3.5
123.11658	1.7
125.09540	0.5
127.07539	0.9
129.06969	2.3
130.07724	0.5
131.08546	11.1
133.06464	2.8
133.10106	11.8
135.08031	2.8
135.11691	3.9
137.05933	0.7
137.09595	1.7
141.06932	1.1
143.08549	2.1
145.06451	1.6
145.10104	9.2
147.07993	3.2
147.11668	9.0
149.09598	3.6
149.13208	2.5
151.11136	3.2
155.08542	1.6
157.10071	2.2
159.08012	1.7
159.11684	6.0
161.09586	2.5
161.13245	2.2
163.11125	3.1
169.10080	1.4
171.11687	1.8
173.09610	2.2
173.13280	3.9
175.11157	2.4
175.14723	0.8
177.01033	0.5
177.12729	1.5
183.11670	1.3
185.13199	0.6
187.11118	1.5
187.14742	0.7
189.12628	0.4
191.14279	2.3
197.13225	1.1
199.14786	0.8
201.12726	2.2
203.14297	0.6
205.19456	0.6
207.13770	2.1
211.14647	0.6
215.14304	0.8
215.17900	1.1
219.13777	2.1
219.17368	0.5
229.19473	1.6
231.17461	0.8
233.15334	0.5
233.18939	1.0
239.17993	2.2
240.08246	0.4
247.20534	2.0
257.18930	11.6
258.19354	0.7
261.80731	0.4
275.20020	100.0
276.20361	6.0
293.21091	10.8
366.56393	0.5
401.26715	0.8
409.82010	0.6
419.27792	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	420.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.59568	1.0
56.05016	1.2
58.06589	7.2
61.02934	1.0
70.42360	2.3
72.08110	1.1
77.03902	1.6
79.05479	4.0
81.03400	2.3
85.02898	4.8
91.05489	1.1
93.07003	1.4
93.88425	1.3
95.04959	5.8
97.02869	2.0
101.02361	2.5
105.03383	100.0
106.03705	1.6
110.09670	2.0
119.08569	1.2
123.04408	14.1
137.05945	1.2
145.10097	1.2
149.04675	1.8
181.10159	1.8
200.66287	1.0
223.05998	30.4
241.07111	3.9
257.15823	1.1
384.25140	2.3
402.26761	9.6
420.15347	2.5
420.27710	45.8
421.27686	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	420.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78372	0.7
53.03921	0.8
55.01876	0.8
58.06593	47.6
68.14066	0.8
69.61522	2.6
72.08134	0.8
72.66557	0.8
77.03918	1.9
79.05479	3.6
81.07016	1.2
85.02897	3.7
91.05459	1.5
93.07066	1.2
95.04961	7.0
98.09670	0.9
98.23416	1.5
105.03378	100.0
105.04514	2.6
106.03720	3.1
107.04972	1.0
117.06995	0.9
119.03411	1.5
123.04427	11.6
124.04740	0.8
129.06981	1.9
141.06946	1.0
143.08530	1.4
145.10109	1.0
154.17369	0.7
155.08528	1.4
167.08572	1.0
169.10204	0.9
179.08611	1.1
181.10060	1.3
192.09282	1.1
193.10243	1.0
205.04979	1.2
209.13213	0.8
223.05989	16.8
223.07959	1.3
241.07133	2.8
244.80014	0.8
264.90414	0.8
265.15909	0.8
272.32678	0.8
310.18332	0.7
319.69037	0.8
328.18958	0.9
369.54874	0.8
372.92953	0.7
402.22601	14.7
420.15689	2.3
420.27628	97.5
421.16815	2.2
421.28088	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92948	2.7
57.03419	16.0
58.06579	4.3
59.04974	3.6
60.04551	2.8
60.52644	2.7
61.02928	4.0
62.03911	2.7
69.03418	51.7
69.50778	11.8
73.02898	13.6
75.04453	3.4
78.66853	3.0
85.02888	46.5
87.04459	31.5
91.05465	100.0
92.05798	4.3
97.02873	62.0
99.04469	3.4
101.75269	3.4
105.07009	7.9
107.04928	9.4
110.09708	3.0
115.03913	65.1
117.06980	2.7
118.66381	3.4
127.03896	7.6
128.85234	2.9
129.06992	3.5
133.04945	60.4
133.06458	4.9
136.96036	2.9
145.04936	13.2
150.07594	6.0
163.05936	3.1
169.10094	2.9
184.64919	2.7
223.09540	4.9
235.09602	3.0
242.38828	2.7
253.10985	3.6
259.07849	4.1
321.64603	3.7
348.32831	3.2
371.45755	2.8
402.26358	9.4
420.27582	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2377
Annotation	U 62162
Peak:m/z	Relative Intensity
55.05452	0.5
56.04937	0.5
57.03367	0.7
67.05408	0.6
69.46851	1.8
70.06503	0.5
76.33891	0.4
79.05377	1.2
80.04919	0.5
81.06955	0.9
82.06437	1.3
82.06885	0.6
84.08043	0.6
91.05325	1.4
93.06947	0.9
94.06451	0.5
95.04868	0.7
95.08501	0.9
96.08044	0.6
98.22729	0.8
107.08452	0.6
117.06902	0.7
119.08394	1.2
119.09216	0.4
128.06059	0.9
128.91217	0.4
129.07005	1.9
131.04707	0.5
131.08421	0.9
132.07849	0.5
141.06801	1.4
142.07625	0.5
143.08363	1.5
145.06369	0.6
145.09972	1.2
153.06874	0.4
155.08556	2.4
157.06276	0.6
157.09955	0.7
161.00998	0.4
163.44107	0.4
165.06900	0.9
166.07573	0.8
167.08519	2.6
168.07956	0.7
169.09981	1.2
178.07597	1.3
179.08521	1.9
180.09250	0.7
181.09947	1.7
183.07945	0.6
183.11551	0.8
190.07518	0.4
191.08475	0.9
192.09288	0.9
193.10094	1.9
194.09430	1.1
195.07881	1.2
195.11566	1.1
197.09509	0.7
199.11130	0.4
203.08356	1.7
204.09268	0.7
205.10135	2.3
206.10710	1.2
207.11575	1.1
209.09575	0.6
209.13089	1.1
211.11028	0.4
218.10757	1.3
219.11501	1.2
221.13133	1.3
222.12523	0.6
222.56883	0.5
223.11174	0.4
225.12608	0.5
232.12383	0.6
233.09625	0.7
233.13168	0.8
234.12640	0.6
235.14624	0.8
237.12691	0.9
238.15730	0.6
239.13983	0.5
241.07300	0.6
243.11536	0.5
247.14777	0.5
248.14221	0.6
249.12660	0.8
251.14223	0.5
262.15726	0.6
264.17325	1.4
279.13684	0.6
280.17020	0.5
281.15210	0.7
282.18430	0.9
292.17084	0.8
307.95047	0.4
310.17911	2.4
328.18985	6.3
384.21698	1.5
402.22690	100.0
403.23035	7.3
407.07413	0.4
408.87253	0.5
420.23752	75.3
421.16754	6.1
421.24048	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	420.2741
Annotation	Dolaconine
Peak:m/z	Relative Intensity
55.05491	0.3
56.05014	0.3
57.03437	0.3
58.06593	30.4
66.49903	0.3
67.05481	0.5
68.73804	0.3
69.03416	0.3
71.44497	0.3
72.08169	1.5
73.02901	0.8
73.70443	0.3
79.05487	0.9
81.07037	0.7
84.08140	0.7
85.02895	0.6
91.05486	2.6
93.07018	0.9
95.04938	0.4
95.08604	0.4
97.02875	1.1
98.09695	2.0
107.08564	0.4
108.08115	0.3
110.09670	0.6
117.06984	0.7
119.08558	0.7
122.09667	0.3
124.11242	1.2
126.12795	0.6
129.06963	0.5
131.08545	1.1
133.06500	0.4
133.10100	0.6
135.08060	0.5
141.06992	0.7
142.07790	0.2
143.08560	0.9
145.10109	0.9
149.51662	0.2
151.07544	0.3
155.08560	0.6
157.10144	0.8
167.08508	0.3
169.10170	0.7
171.11720	0.8
174.53464	0.3
181.10139	0.4
183.11705	0.6
193.10071	0.4
195.11707	0.3
197.13258	0.3
209.13274	0.3
221.13341	0.3
223.05945	0.5
223.14749	0.3
267.17303	0.4
279.17538	0.4
314.21024	0.3
324.23212	0.7
332.22214	1.1
342.24280	2.2
360.25281	21.6
361.25775	1.7
388.24780	0.5
402.26376	1.0
420.27417	100.0
421.27719	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	421.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99623	2.4
53.03931	8.9
57.03425	4.6
58.06577	14.8
59.04980	11.4
61.02909	4.3
67.05504	6.2
69.03419	15.2
69.07071	2.3
70.06575	5.5
71.04964	7.0
72.08136	5.4
73.02917	3.5
74.06074	6.1
75.04467	3.2
77.39442	2.5
79.05461	7.6
81.03411	17.3
81.07032	8.4
83.04987	4.0
84.08121	3.4
85.02890	68.1
86.09722	2.7
87.04454	32.5
91.05465	7.1
93.07030	6.1
95.04914	6.9
95.08575	3.4
97.02878	37.3
99.04443	43.8
103.03928	70.7
105.07003	6.1
109.02866	19.8
111.08076	4.9
112.07627	2.6
114.09138	3.0
115.03906	76.5
116.04267	4.0
119.08540	5.9
127.03896	97.7
128.04227	2.8
129.74159	2.6
131.08524	3.4
133.10144	2.6
137.05960	4.0
145.04932	57.3
147.83192	2.6
153.09096	3.0
155.08606	3.0
163.05986	11.5
168.06517	3.3
169.10156	3.8
187.06000	7.7
217.11771	3.8
224.20062	6.5
225.14754	5.8
242.21068	10.0
260.22052	3.8
271.08118	4.6
289.09094	2.7
382.84537	2.5
402.26364	5.1
404.24271	26.9
420.27539	45.2
421.15744	5.4
421.28091	51.9
422.25360	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82634	0.5
53.27746	0.4
58.06591	4.7
59.06924	0.8
67.05502	0.4
70.72088	0.7
72.08141	0.7
79.37329	0.4
81.07052	0.5
84.08131	1.8
85.02901	0.7
91.05472	0.6
92.29487	0.4
93.07043	0.5
98.97598	0.5
100.12539	0.5
105.06991	0.5
107.04966	0.5
107.08514	0.4
110.09715	0.4
116.30248	0.4
119.08522	0.5
121.06469	0.6
123.64770	0.5
127.03979	0.5
129.07025	0.6
130.06464	0.5
131.08534	1.0
135.97227	0.4
143.08557	0.8
155.08565	0.5
169.29639	0.4
217.07393	0.7
221.05142	0.6
221.13133	0.4
241.07407	0.5
249.36827	0.6
257.05261	0.5
300.42764	0.5
310.05466	0.5
372.21844	0.9
402.22772	2.8
403.23062	6.8
404.24454	3.2
420.28094	2.8
421.16730	100.0
421.23709	5.3
421.28238	2.0
422.17050	5.4
422.25378	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1677
Annotation	Pomiferin
Peak:m/z	Relative Intensity
51.34488	0.4
56.05012	0.4
56.96552	0.9
58.06596	2.2
58.28201	0.4
62.08764	0.4
66.96086	0.4
69.03401	0.5
69.92720	1.2
74.06073	0.5
74.08826	0.4
76.35213	0.4
84.08159	0.6
85.02886	0.4
89.52155	0.4
98.97588	1.6
104.99255	0.4
105.07016	0.5
112.99130	0.5
116.98611	1.3
127.03895	4.2
128.98613	0.5
131.01964	0.4
155.08566	0.4
161.01254	0.5
170.99643	0.4
173.02951	0.4
185.06664	0.4
187.08107	0.7
199.08176	0.7
219.01830	0.8
229.09248	0.5
232.96390	0.5
237.02831	1.1
269.46982	0.5
274.97498	0.4
280.02808	0.4
289.11716	0.9
291.39267	0.5
307.12366	0.8
337.07913	0.6
338.96677	0.9
355.09174	0.9
404.24420	1.7
420.23474	0.6
421.16736	100.0
422.16989	4.2
422.25616	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	421.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	1.0
64.07286	0.6
64.55692	0.6
67.05508	2.8
69.62582	1.9
79.05475	1.0
81.03384	0.7
81.07050	1.3
84.42549	0.6
87.64098	0.6
91.05458	1.4
93.07016	1.0
95.04956	1.0
95.08618	1.2
98.22736	1.2
104.99280	0.8
109.10133	1.6
113.00475	0.5
119.08607	1.0
121.06409	0.6
141.55530	0.6
151.03932	0.9
157.10127	0.7
159.79086	0.6
185.13373	0.6
186.69514	0.7
192.94655	0.6
231.38541	0.7
234.35216	0.6
239.50876	0.6
240.03122	1.1
274.97430	1.0
329.20996	1.0
338.96759	1.2
351.14145	0.8
389.09698	2.0
390.06326	2.2
421.21902	100.0
422.22269	5.2
422.28928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2532
Annotation	Leucostine
Peak:m/z	Relative Intensity
50.34330	0.4
56.05029	4.9
58.06596	5.1
67.05487	0.7
68.46338	0.3
69.03423	0.4
69.79797	0.6
69.80125	0.7
71.04984	0.8
72.08147	3.2
79.05474	1.5
81.07037	0.8
83.04979	0.4
85.02879	1.0
90.42326	0.3
91.05457	2.0
93.07019	0.4
96.08092	0.4
97.02885	0.4
102.09187	1.1
105.07036	0.9
108.08115	3.3
115.05516	0.4
117.07010	0.9
118.95779	0.3
119.08575	0.6
122.09667	0.4
124.11281	0.5
127.03913	0.4
129.06998	1.4
131.08531	1.0
141.06970	1.0
143.08543	1.1
145.10097	0.6
153.06949	0.6
155.08508	1.5
157.10101	0.8
159.08066	0.4
165.06975	0.9
167.08478	1.2
169.10088	1.1
178.07695	0.6
179.08493	0.7
180.09163	0.5
181.10072	1.4
191.08530	0.6
193.10069	1.0
195.11636	0.6
205.10150	1.1
207.11603	0.7
218.10820	0.5
219.11650	1.3
231.11499	0.4
242.21107	0.9
260.22202	0.8
265.12213	0.5
267.13672	0.5
277.12265	0.4
279.13638	0.5
326.17294	0.5
340.19034	0.7
344.18658	1.0
372.21686	3.0
376.21140	0.7
404.24261	35.3
405.24536	2.9
422.25284	100.0
423.25592	9.9
447.70898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	5.4
58.06590	6.1
67.05466	0.7
69.03416	0.5
69.81416	0.8
70.06566	0.6
71.04962	0.9
72.08139	3.2
79.05474	2.0
81.03385	0.4
83.04939	0.6
85.02898	1.1
91.05467	1.6
93.06998	0.4
95.04939	0.4
97.02808	0.5
98.09666	0.6
98.23430	0.3
102.09172	1.3
105.07022	0.9
107.04945	0.5
108.08096	4.0
117.07011	1.5
119.08580	0.3
122.09643	0.8
124.11211	0.5
126.88499	0.3
129.06981	1.3
131.08571	0.6
135.08028	0.4
141.06992	1.4
143.08533	0.7
154.12238	0.9
155.08517	1.6
157.10170	0.4
165.06998	0.7
167.08505	1.5
169.10100	0.8
173.09599	0.5
178.07846	0.6
179.08517	0.7
181.10085	0.9
191.08594	0.5
192.09384	0.4
193.10088	1.1
195.11681	1.0
199.26640	0.4
203.08455	0.5
204.09242	0.4
205.10103	1.0
207.11630	0.9
209.13353	0.7
218.10890	0.4
219.11702	1.6
221.13144	0.6
223.11047	0.4
233.13277	0.8
237.12653	0.4
242.21136	0.8
260.22070	0.4
324.02463	0.4
330.00909	0.3
335.45944	0.3
344.18536	1.2
354.20544	0.5
372.21686	2.9
376.20987	0.7
404.24237	37.3
405.24359	3.8
422.25253	100.0
423.25598	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	422.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34330	0.4
56.05029	4.9
58.06596	5.1
67.05487	0.7
68.46338	0.3
69.03423	0.4
69.79797	0.6
69.80125	0.7
71.04984	0.8
72.08147	3.2
79.05474	1.5
81.07037	0.8
83.04979	0.4
85.02879	1.0
90.42326	0.3
91.05457	2.0
93.07019	0.4
96.08092	0.4
97.02885	0.4
102.09187	1.1
105.07036	0.9
108.08115	3.3
115.05516	0.4
117.07010	0.9
118.95779	0.3
119.08575	0.6
122.09667	0.4
124.11281	0.5
127.03913	0.4
129.06998	1.4
131.08531	1.0
141.06970	1.0
143.08543	1.1
145.10097	0.6
153.06949	0.6
155.08508	1.5
157.10101	0.8
159.08066	0.4
165.06975	0.9
167.08478	1.2
169.10088	1.1
178.07695	0.6
179.08493	0.7
180.09163	0.5
181.10072	1.4
191.08530	0.6
193.10069	1.0
195.11636	0.6
205.10150	1.1
207.11603	0.7
218.10820	0.5
219.11650	1.3
231.11499	0.4
242.21107	0.9
260.22202	0.8
265.12213	0.5
267.13672	0.5
277.12265	0.4
279.13638	0.5
326.17294	0.5
340.19034	0.7
344.18658	1.0
372.21686	3.0
376.21140	0.7
404.24261	35.3
405.24536	2.9
422.25284	100.0
423.25592	9.9
447.70898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2531
Annotation	Leucostine
Peak:m/z	Relative Intensity
52.10265	0.2
56.05032	1.3
58.06594	1.9
58.27986	0.3
61.02916	0.7
68.64475	0.3
69.59654	0.4
69.59997	0.9
71.04999	0.6
72.08142	0.6
79.05480	0.6
80.91027	0.3
84.08132	11.7
85.06442	0.3
86.06092	0.4
91.05470	1.2
93.07040	0.5
96.08154	0.3
105.07016	0.8
107.04922	0.3
107.08649	0.3
108.08116	0.8
109.06479	0.4
112.07606	0.6
115.05471	0.4
117.06989	0.8
119.08629	0.4
121.06505	0.4
122.09641	0.8
123.04399	0.3
129.07008	0.6
130.55835	0.3
131.08574	1.0
134.09666	0.5
137.05917	0.8
138.09132	0.5
141.02820	0.3
141.06996	0.4
142.08611	0.3
143.08524	0.6
145.10184	0.5
153.06985	0.3
155.08559	0.8
157.10095	0.6
161.09622	0.6
165.06935	0.4
167.08510	0.5
169.06461	0.3
169.10139	0.8
171.08000	0.6
172.11217	0.4
173.11899	0.3
174.12816	0.7
175.07532	0.4
179.08569	0.6
180.09398	0.3
181.10138	0.9
185.09608	0.5
193.10220	0.6
195.11731	0.5
200.14334	0.5
205.10124	0.3
207.11682	0.4
209.13196	0.3
211.11140	0.6
216.27068	0.3
218.15221	0.3
237.12802	0.9
239.10576	0.3
294.18454	0.4
312.19489	0.7
326.21085	0.7
338.97952	0.3
344.21933	1.3
362.23160	0.5
372.21555	2.6
390.22729	1.3
404.24265	14.5
405.24567	1.4
422.25302	100.0
423.25641	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	422.2898
Annotation	Talatisamine
Peak:m/z	Relative Intensity
55.05504	0.3
56.05029	1.9
57.84444	0.2
58.06594	14.7
59.04977	0.4
61.02924	1.2
67.05495	1.1
69.16842	0.6
69.17242	0.9
70.06591	0.5
71.01342	0.4
71.04990	1.4
72.08147	3.4
77.18967	0.3
79.05484	1.8
81.07047	0.6
84.08131	1.6
85.02911	0.3
85.06570	0.4
88.07610	0.4
91.05472	2.8
93.06541	0.3
93.07019	1.7
95.04971	0.6
95.08587	0.4
96.08121	0.4
98.09687	7.2
98.10309	0.5
98.22697	0.6
102.09196	1.5
103.03927	0.3
105.07022	2.0
107.04949	0.5
107.08599	0.4
108.08112	3.3
109.06524	0.5
115.05473	0.3
117.07018	1.6
119.04971	0.3
119.08604	0.7
121.06484	0.5
122.09705	0.8
123.08059	0.5
124.11241	1.1
128.06218	0.3
128.10719	0.5
129.06982	1.5
131.08557	2.6
133.06483	0.4
133.10124	0.7
133.91158	0.3
135.08070	0.3
137.05991	0.8
141.06949	1.6
142.07814	0.3
143.08542	2.5
145.10132	1.0
147.08060	0.4
148.11255	0.3
152.10645	0.5
153.07001	0.3
154.12234	1.5
155.08543	2.1
157.10106	1.3
159.08035	0.3
159.11737	0.7
165.06993	0.5
166.07800	0.4
167.08604	0.8
168.09271	0.4
169.10106	1.6
171.11729	0.7
173.13240	0.4
179.08574	1.0
180.09386	0.4
181.10060	1.4
182.10985	0.4
183.11745	1.2
185.09641	0.6
190.16026	0.3
191.08627	0.4
192.09395	0.6
193.10162	0.9
195.11700	1.4
197.09708	0.2
197.13298	1.5
203.08632	0.3
207.11659	1.0
209.13283	0.8
219.11487	0.3
221.13412	0.3
223.11168	0.4
223.14893	0.5
225.12796	0.8
233.13229	0.3
235.14900	0.7
238.62904	0.2
243.13959	0.5
243.39340	0.3
245.13231	0.4
251.14340	0.7
257.15408	0.3
265.16064	0.4
267.17670	0.3
283.16931	0.6
326.21262	0.4
330.20856	0.4
340.22543	1.6
344.22083	0.4
348.27759	0.3
358.23788	2.7
359.24298	0.4
362.23288	0.6
372.25342	2.1
390.26337	29.5
391.26566	2.2
404.24207	2.0
422.29062	100.0
423.29419	9.9
423.34839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00468	0.4
50.84629	0.4
52.64212	0.3
55.05478	0.5
56.05021	1.0
57.07057	0.6
58.06589	1.6
60.08154	11.9
67.05496	3.0
69.07057	0.9
70.06571	1.3
71.07363	4.4
72.28935	0.3
79.05454	0.7
81.07042	1.6
86.09691	30.4
87.10052	0.5
88.07624	1.2
88.64927	0.4
91.05444	0.6
93.07026	1.1
95.04934	0.8
95.08591	1.1
97.99367	0.4
98.98442	3.6
102.09163	0.9
104.10724	100.0
105.11069	1.5
107.08664	0.5
109.10127	1.1
124.99979	20.4
129.06960	0.4
149.02327	6.1
149.03410	0.8
184.07309	25.0
185.07686	0.7
185.09406	0.4
193.04919	5.8
194.25914	0.4
217.60637	0.4
223.47296	0.4
253.68327	0.4
256.26315	3.5
422.29919	16.0
423.23288	0.7
423.29520	1.2
431.97263	0.4
437.88861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	3.9
56.96557	8.7
58.06328	1.7
58.06593	23.7
58.99581	2.2
59.06934	1.5
67.05482	3.9
69.03412	2.9
69.07067	7.2
70.06591	2.4
72.08142	3.6
84.08147	9.8
84.96016	1.8
85.02893	1.6
91.05466	1.7
93.07043	2.1
95.04932	1.7
96.08090	1.6
97.02843	2.5
98.09648	2.1
98.96976	2.3
98.97575	28.0
101.04223	15.7
105.07024	1.6
107.04925	3.2
108.08121	3.4
110.07143	1.4
110.97530	4.6
112.07602	1.7
116.98607	10.6
117.07024	2.4
119.08540	1.8
120.08096	2.6
125.65247	1.2
127.02123	2.1
127.05795	1.8
128.98586	4.8
129.03674	1.4
129.06999	1.5
129.10248	3.0
131.00140	1.5
133.39374	1.4
134.09676	2.0
134.99652	4.2
140.07045	2.6
140.10622	3.8
141.06982	1.5
143.00157	2.4
143.08536	2.2
147.03371	1.7
155.08499	2.3
158.99629	8.4
161.01224	3.6
167.08542	1.6
169.10042	1.7
170.99646	2.7
171.03111	1.3
172.04268	34.4
176.93550	1.7
177.00674	5.8
178.61743	1.4
181.10112	1.3
189.04376	2.8
191.08536	1.8
197.09427	1.6
198.05756	1.9
201.00665	2.5
201.04361	1.6
214.05305	3.5
215.08487	2.2
218.94695	3.4
219.01752	6.9
219.05359	1.6
220.02486	1.5
236.95706	5.9
237.02786	10.9
243.05368	1.7
244.06433	3.2
249.02826	2.7
260.95807	1.6
261.09033	8.7
279.07465	3.8
282.96375	2.7
290.96802	1.6
291.04059	2.2
291.07431	4.0
309.08493	10.6
319.72650	1.6
344.21964	1.8
363.09427	2.2
374.23267	4.0
377.13708	3.3
381.03427	3.2
392.24118	5.3
399.04398	3.1
404.20145	1.5
404.24796	1.7
405.20517	8.8
406.21829	4.6
406.26511	9.3
422.26050	15.8
423.12469	100.0
423.21890	37.0
423.25958	22.6
424.13010	4.2
424.27533	74.8
441.05270	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2348
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
50.19790	0.3
53.41031	0.4
67.05464	0.6
70.31910	0.8
81.07014	0.4
85.44183	0.4
92.76701	0.4
103.24781	0.4
157.96138	0.4
169.10149	0.4
170.06133	0.5
349.19699	0.5
423.23480	100.0
424.23727	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85495	1.4
55.01876	2.2
55.05497	9.9
57.03431	2.8
57.07073	4.5
61.71921	1.3
65.03924	2.6
67.05493	27.7
69.07057	11.7
69.96630	4.7
70.66805	1.5
71.04991	3.3
71.08624	2.1
73.78496	1.2
79.05475	9.9
79.11284	1.3
79.92579	1.3
81.02863	1.4
81.07047	22.3
82.87032	1.3
83.04973	1.9
83.08619	5.5
85.06540	2.0
91.05497	5.8
93.07050	14.2
95.04977	1.9
95.08595	15.3
97.02874	2.2
97.06547	4.1
97.10209	1.6
99.08092	1.8
99.61044	1.3
105.07008	8.6
107.08577	10.4
109.06519	15.8
109.10146	13.2
111.08113	3.3
119.08541	8.4
121.10125	8.3
123.08054	45.2
123.11713	3.1
127.12248	1.4
131.08560	3.6
133.10141	5.4
135.08034	8.6
135.11690	2.6
137.09631	4.7
143.08640	2.0
145.10190	4.2
147.11681	2.1
149.09595	2.6
149.13298	5.3
150.11824	1.4
159.11697	5.6
161.13335	2.0
165.12796	2.5
167.14340	1.8
173.11754	3.7
173.13234	2.3
175.11165	1.9
175.14931	2.4
177.12785	5.5
179.14287	55.0
222.10648	1.5
261.22409	1.8
275.20108	3.7
293.21103	2.7
303.26773	3.2
331.26263	38.7
332.26828	2.2
349.27359	9.5
367.24878	2.7
405.30038	1.9
406.26117	2.9
423.31091	100.0
424.26862	11.4
424.31641	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	423.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.5
55.05751	1.7
57.03421	2.0
57.07064	5.7
67.05501	14.8
69.07056	12.9
71.04987	2.4
71.08620	3.4
71.43996	1.7
79.05485	10.1
81.07044	16.9
83.05001	1.6
83.08601	6.7
85.06513	2.6
89.06014	3.5
91.05473	6.2
93.07040	11.1
93.62347	1.4
95.04945	3.0
95.08586	15.7
97.06515	3.6
97.10168	2.2
105.07032	6.3
107.08601	12.3
109.06506	12.9
109.10130	9.5
111.08100	1.7
119.08551	7.5
121.10127	8.8
123.08053	51.4
123.11678	4.8
131.08588	2.9
131.95491	1.7
133.08609	3.8
133.10121	5.0
135.08005	9.8
135.11705	3.7
137.09590	3.6
137.13303	1.9
143.08521	2.1
145.10147	4.1
147.11691	4.4
149.09612	4.0
149.13239	5.4
157.10017	2.3
159.11729	3.6
161.13271	2.4
165.12732	1.9
167.14262	2.0
173.13190	2.1
177.12836	5.6
179.14282	38.0
180.14624	1.5
239.14932	2.6
275.20016	2.7
289.25192	1.7
293.21194	2.7
303.26663	5.1
331.26251	41.2
332.26541	3.5
349.27310	7.9
361.22046	1.5
423.31039	100.0
424.26178	7.4
424.31943	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	424.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.6
58.06587	7.6
67.05516	3.7
69.36942	5.1
69.37344	7.3
76.00447	2.9
79.05476	2.7
81.07059	5.4
83.08619	4.8
86.09712	4.6
90.64611	2.2
93.07034	3.3
95.04967	4.3
95.08598	7.9
98.23421	4.9
107.08566	4.5
109.10146	3.5
121.10142	7.6
123.98870	2.3
126.24667	2.7
128.31822	2.2
135.11668	5.2
154.12288	6.5
163.14854	2.6
167.14204	2.7
173.94096	2.4
189.49405	2.4
191.14455	2.8
209.15341	10.1
226.21751	4.4
244.22781	11.3
262.23798	5.8
356.22491	2.8
374.23206	5.2
392.24210	4.0
406.25925	7.9
424.26877	100.0
425.27136	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	424.2688
Annotation	Dihydrogadesine
Peak:m/z	Relative Intensity
56.05023	1.6
58.06593	5.2
66.86854	0.3
67.05494	0.8
69.18718	1.3
69.19141	0.9
70.06581	0.4
71.04990	0.5
72.08150	2.8
79.05481	0.8
80.05013	0.4
81.07018	0.6
84.08128	1.0
91.05479	1.7
93.07034	1.1
95.04991	0.5
95.08598	0.6
96.08116	0.4
98.09688	0.6
102.09159	2.1
105.07025	1.2
107.04971	0.5
107.08590	0.5
108.08095	3.7
114.09156	0.3
117.06988	0.7
119.04976	0.4
119.08562	0.5
122.09644	2.5
123.04410	0.6
124.11208	1.3
128.06194	0.6
128.10651	0.4
129.06981	1.5
131.08537	1.5
134.09628	0.4
137.05902	0.6
141.06952	0.9
143.08539	1.5
145.10158	0.5
152.10680	1.2
153.06902	0.5
154.07745	0.6
154.12253	5.0
155.08543	1.3
157.06570	0.3
157.10161	1.3
159.08031	0.4
165.06976	0.5
167.08571	0.7
169.10081	1.0
174.12767	0.8
178.07770	0.5
179.08505	0.8
181.10103	1.0
183.11702	0.5
192.20650	0.4
193.10066	0.9
195.11687	1.2
197.09535	0.6
207.11620	0.6
209.13312	0.5
220.52144	0.3
221.13237	0.4
225.12744	0.5
226.21606	0.7
262.23599	0.8
314.17587	0.5
324.19324	0.8
342.20514	3.5
346.20114	0.8
348.21689	1.2
356.22089	1.7
374.23221	7.4
375.23361	0.8
378.22528	0.4
388.24713	0.8
406.25793	18.1
407.26181	1.0
424.26862	100.0
425.27173	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	424.2687
Annotation	Virescenine
Peak:m/z	Relative Intensity
58.06594	8.6
60.08148	0.3
67.05494	0.8
69.19518	1.4
71.04986	0.9
72.08157	2.0
79.05470	0.9
81.07055	0.3
82.06555	0.3
84.08142	0.9
86.09676	0.4
91.05463	1.7
93.07035	0.8
94.06569	0.4
95.04931	0.6
96.08143	0.6
98.09686	1.0
102.09174	1.0
105.07037	1.2
107.08603	0.5
108.08104	3.4
109.06502	0.4
109.25177	0.3
110.09669	0.6
115.05450	0.3
117.06993	0.8
119.04919	0.4
119.08566	0.4
119.62231	0.3
122.09659	3.4
123.04440	0.6
124.11217	1.9
128.06201	1.1
128.10719	1.1
129.06967	1.8
130.07706	0.3
131.08525	1.7
137.05969	0.6
138.32686	0.3
140.10680	0.9
141.06992	0.6
142.07771	0.5
143.08549	1.3
145.10080	0.4
152.10701	1.1
153.06970	0.6
154.12248	9.4
155.08530	1.2
155.12619	0.3
157.10118	1.1
160.11194	0.3
162.12726	0.3
165.06989	0.5
166.07820	0.4
167.08566	1.0
169.10124	1.4
172.11191	0.3
174.12762	1.4
178.07706	0.3
179.08577	0.6
180.09207	0.4
181.10146	1.1
183.11696	0.7
186.12787	0.7
187.11143	0.3
187.13513	0.7
188.14233	0.4
191.08476	0.3
193.10124	1.0
195.11700	0.7
197.13126	0.3
205.10129	0.5
207.11655	0.6
214.15878	0.3
219.16171	1.0
219.30098	0.3
220.16751	0.4
221.13214	0.5
223.11324	0.3
225.12750	0.3
238.15837	0.3
249.12752	0.4
267.13925	0.3
314.17462	0.4
324.19601	0.6
342.20612	4.2
348.21567	2.0
356.22177	2.0
374.23206	15.1
375.23572	1.0
388.24902	0.6
392.24194	3.1
406.25800	5.0
424.26874	100.0
425.27200	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	424.2691
Annotation	Dihydrogadesine
Peak:m/z	Relative Intensity
56.05031	1.1
56.97785	0.3
58.06594	7.7
60.08150	0.4
61.02923	0.8
67.05495	0.4
68.05010	0.3
69.48125	1.2
71.01346	0.6
71.04994	0.6
72.08138	1.9
78.73204	0.4
79.05495	1.2
84.08157	1.2
86.09715	0.6
87.04475	0.3
88.07611	0.5
91.05472	2.0
93.07050	0.8
95.04965	0.4
95.54321	0.3
96.08147	1.0
97.02866	0.3
97.06590	0.3
98.09702	0.6
98.22696	0.4
98.97562	0.5
101.00882	1.0
102.09179	0.9
105.07027	0.8
107.04972	1.2
108.08096	2.8
110.09721	0.4
112.07620	0.3
117.07014	1.0
119.01914	1.8
119.08560	0.6
121.06489	0.4
122.09667	1.2
123.04403	0.6
126.09173	0.4
128.06223	0.4
128.10776	0.4
129.07036	1.6
131.01889	0.5
131.08604	0.7
134.09625	0.6
137.06010	0.8
138.09154	0.9
140.10698	3.9
141.06999	0.7
142.07794	0.4
143.01871	2.4
143.08597	1.2
145.03468	0.4
145.10146	0.5
154.07837	0.4
155.01956	0.9
155.08582	1.0
157.10141	0.6
160.11249	0.3
161.02965	2.9
165.07033	0.4
167.01950	0.9
167.08644	0.8
169.10161	0.5
172.11191	0.4
173.02969	1.4
174.12834	0.9
179.08607	0.7
181.10112	0.8
183.11716	0.4
185.02928	1.9
185.09677	0.4
186.12859	0.5
193.10106	0.7
195.11818	0.4
197.03033	0.9
200.14388	0.7
203.04013	0.7
205.10234	0.6
207.11742	0.7
214.15944	0.4
215.04015	0.4
241.12158	0.4
245.05045	7.7
250.15605	0.4
263.06213	1.4
268.93909	0.4
275.06195	0.7
305.07172	0.6
312.19604	0.5
324.19492	0.4
342.20737	1.0
344.22269	1.3
346.19946	0.4
348.21759	1.1
356.22015	2.1
360.21750	0.9
374.23254	6.5
375.23523	0.5
388.24966	1.2
392.24265	2.3
397.91580	0.4
406.26086	11.1
407.26422	0.5
424.27032	100.0
425.10892	3.2
425.27383	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	424.2687
Annotation	Dihydrogadesine
Peak:m/z	Relative Intensity
56.05019	0.7
58.06593	6.1
59.04994	0.5
61.02916	0.7
67.05496	0.5
69.54463	1.0
71.04979	0.9
72.08152	3.2
76.10659	0.2
79.05473	0.9
81.03356	0.3
84.00285	0.3
84.08113	0.9
85.06540	0.2
86.09692	3.1
88.07629	0.4
91.05484	1.8
93.07028	1.1
95.04948	0.5
96.08117	0.2
96.66873	0.2
98.09686	0.4
102.09158	0.9
105.07021	1.1
107.04961	0.6
108.08112	3.2
109.06506	0.4
110.09669	0.3
115.05439	0.3
117.06995	0.9
119.04940	0.4
119.08566	1.0
121.06482	0.3
121.08893	0.3
122.09642	1.9
123.04401	0.5
124.11201	1.6
128.06206	0.5
129.07001	1.1
131.08549	1.6
133.06494	0.3
133.10115	0.4
140.10684	0.6
141.06992	0.8
143.08539	1.3
145.06468	0.3
145.10176	0.4
147.08069	0.5
152.10706	1.0
153.07037	0.3
154.07707	0.3
154.12233	4.4
155.08563	1.5
157.10135	0.9
159.07993	0.3
160.91150	0.2
161.09628	0.4
165.07028	0.4
167.08568	1.1
169.10144	0.9
171.11664	0.5
171.58342	0.3
174.12769	0.9
178.07776	0.4
179.08496	0.8
181.10124	0.9
183.07965	0.3
183.11685	0.5
192.09309	0.3
193.10068	0.8
195.11707	0.8
195.52426	0.2
197.09612	0.3
197.13307	0.3
200.14323	0.4
203.08553	0.3
205.10094	0.5
206.10852	0.3
207.11659	0.8
209.13383	0.4
221.13228	0.3
223.11198	0.4
225.12767	0.5
239.14421	0.4
251.14261	0.3
267.13745	0.4
281.15289	0.3
306.18695	0.3
324.19305	0.6
328.19263	0.3
338.21091	0.7
342.20200	0.3
356.22125	3.2
357.22467	0.4
360.21503	0.3
362.23300	0.4
370.23849	1.0
374.23154	1.1
388.24789	6.4
389.25000	0.5
392.24246	1.0
406.25851	10.6
407.26126	1.0
424.26886	100.0
425.27206	8.0
428.11411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2689
Annotation	Dihydrogadesine
Peak:m/z	Relative Intensity
54.39758	0.3
56.05039	0.7
58.06593	5.6
61.02925	0.6
62.33339	0.3
66.62659	0.3
67.05490	0.4
70.37213	0.8
70.37546	0.5
71.04982	0.5
72.08135	1.7
79.05463	1.1
81.07030	0.4
84.08131	1.2
88.07613	0.7
91.05466	1.4
93.07018	0.9
95.08643	0.4
96.08138	1.3
102.09163	0.5
102.35362	0.4
105.07002	1.1
107.04947	0.6
108.08108	2.1
110.09628	0.7
114.09187	0.7
115.05473	0.6
117.07016	1.2
119.08607	0.6
122.09651	1.2
123.04420	0.8
126.09119	0.5
127.95671	0.3
129.07005	1.3
131.08580	1.1
134.09692	0.8
137.06000	0.4
138.09137	0.9
140.10690	4.0
143.08543	1.5
145.10115	0.5
153.06975	0.6
154.07672	0.4
155.08533	1.3
157.10106	1.1
160.11290	0.3
165.07060	0.4
167.08557	1.2
169.10152	1.0
174.12749	0.7
178.07707	0.5
179.08559	0.7
180.88849	0.4
181.10083	0.9
183.11685	0.5
193.10149	0.6
195.11722	0.8
200.14279	0.6
205.10106	0.4
207.11684	0.7
213.12695	0.7
221.13295	0.5
231.11763	0.4
258.60767	0.4
298.17932	0.5
303.15616	0.3
312.19516	0.6
324.19479	0.5
326.20926	0.4
342.20740	1.0
344.22104	1.8
348.21722	1.3
356.22223	1.6
374.23267	5.6
388.24783	1.0
406.25836	12.2
407.26218	1.1
424.26889	100.0
425.27173	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	424.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.9
58.06593	6.5
61.02925	0.5
62.65193	0.3
69.32690	2.0
71.04986	0.9
72.08142	3.5
77.81030	0.4
79.05492	0.5
80.05024	0.3
84.08099	0.9
86.09686	3.5
91.05470	1.7
93.07043	0.6
98.09663	0.8
102.09183	1.2
105.07024	1.2
107.04961	1.1
108.08105	2.9
110.09621	0.4
117.07010	1.0
119.08562	0.7
122.09660	1.8
123.04424	0.6
124.11217	1.1
129.06993	1.2
131.08562	1.5
137.06010	0.5
140.10698	0.5
141.07011	1.0
143.08543	1.5
145.10071	0.6
152.10678	0.8
154.07773	0.3
154.12242	3.9
155.08565	1.3
157.10156	0.9
159.11684	0.5
165.06992	0.6
166.07832	0.6
167.08568	1.0
169.10117	0.9
174.12758	0.7
178.07784	0.4
179.08591	1.0
180.09317	0.5
181.10144	1.4
183.11691	0.5
185.13341	0.4
192.09326	0.4
193.10103	0.7
195.11682	0.9
207.11647	0.9
211.11134	0.4
221.13327	0.5
223.11133	0.5
225.12807	0.6
281.15601	0.4
324.19565	0.6
328.19241	0.5
356.22159	4.1
370.23703	1.0
374.23270	1.9
388.24820	6.4
389.25214	0.9
392.24274	3.3
406.25864	11.8
407.26181	1.5
424.26883	100.0
425.27216	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	424.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.4
55.01842	1.2
55.05505	6.6
56.05011	2.3
57.03443	3.8
57.03650	1.0
57.07051	2.0
58.06593	8.3
60.04484	1.0
60.17495	0.7
61.02887	3.0
64.51566	0.7
67.05497	20.3
69.03432	7.4
69.07053	8.6
70.06236	0.9
70.06577	13.2
71.04944	3.0
71.49242	0.8
72.08109	2.4
73.02868	0.9
74.06061	0.9
75.79646	0.8
78.93558	0.8
79.05484	7.7
81.03365	3.3
81.07048	20.7
82.79375	0.7
83.08567	3.7
84.08091	2.5
85.02892	25.8
85.06482	3.6
86.06049	1.0
86.09654	1.0
91.05453	4.3
93.07036	13.5
94.06516	1.4
95.04904	2.4
95.08591	27.6
96.08091	1.8
97.02879	8.0
97.06463	1.1
97.10135	2.2
98.09627	2.4
99.04385	1.2
99.08026	2.6
102.09122	1.5
105.06979	1.8
107.08571	9.8
108.08041	3.7
109.02806	2.3
109.06489	0.8
109.10137	18.1
111.08035	1.1
111.11646	1.2
112.11182	1.9
113.09595	0.8
117.06953	1.6
121.10117	7.9
122.09608	1.4
123.04391	1.0
123.11637	3.5
124.11191	1.9
126.12746	1.2
127.03896	4.9
129.06979	1.7
131.08510	2.3
135.11678	11.6
138.12686	0.9
141.06938	0.9
143.08450	0.8
144.06487	0.9
145.04916	3.8
149.13242	4.2
154.12254	6.8
155.08418	1.6
157.09993	1.3
166.15884	1.1
171.11549	0.8
174.12592	1.4
179.08415	1.5
181.10001	1.1
184.15054	0.8
191.17955	5.2
193.09999	1.4
195.11679	0.9
205.10172	0.8
208.20593	23.7
209.18825	4.7
209.20648	1.5
209.69202	0.9
226.21628	42.4
227.21791	2.7
244.22693	44.0
245.23009	2.0
250.21249	1.1
262.23740	78.8
263.23883	3.5
304.24585	2.7
314.02594	0.8
342.20340	2.0
348.21655	1.3
352.24573	1.1
356.22079	1.7
370.25885	3.8
374.23181	9.5
375.23392	0.9
388.24945	2.0
392.24307	3.8
406.26566	6.1
407.26303	1.0
424.26886	100.0
425.22281	0.8
425.27133	8.4
434.55267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.4
55.01842	1.2
55.05505	6.6
56.05011	2.3
57.03443	3.8
57.03650	1.0
57.07051	2.0
58.06593	8.3
60.04484	1.0
60.17495	0.7
61.02887	3.0
64.51566	0.7
67.05497	20.3
69.03432	7.4
69.07053	8.6
70.06236	0.9
70.06577	13.2
71.04944	3.0
71.49242	0.8
72.08109	2.4
73.02868	0.9
74.06061	0.9
75.79646	0.8
78.93558	0.8
79.05484	7.7
81.03365	3.3
81.07048	20.7
82.79375	0.7
83.08567	3.7
84.08091	2.5
85.02892	25.8
85.06482	3.6
86.06049	1.0
86.09654	1.0
91.05453	4.3
93.07036	13.5
94.06516	1.4
95.04904	2.4
95.08591	27.6
96.08091	1.8
97.02879	8.0
97.06463	1.1
97.10135	2.2
98.09627	2.4
99.04385	1.2
99.08026	2.6
102.09122	1.5
105.06979	1.8
107.08571	9.8
108.08041	3.7
109.02806	2.3
109.06489	0.8
109.10137	18.1
111.08035	1.1
111.11646	1.2
112.11182	1.9
113.09595	0.8
117.06953	1.6
121.10117	7.9
122.09608	1.4
123.04391	1.0
123.11637	3.5
124.11191	1.9
126.12746	1.2
127.03896	4.9
129.06979	1.7
131.08510	2.3
135.11678	11.6
138.12686	0.9
141.06938	0.9
143.08450	0.8
144.06487	0.9
145.04916	3.8
149.13242	4.2
154.12254	6.8
155.08418	1.6
157.09993	1.3
166.15884	1.1
171.11549	0.8
174.12592	1.4
179.08415	1.5
181.10001	1.1
184.15054	0.8
191.17955	5.2
193.09999	1.4
195.11679	0.9
205.10172	0.8
208.20593	23.7
209.18825	4.7
209.20648	1.5
209.69202	0.9
226.21628	42.4
227.21791	2.7
244.22693	44.0
245.23009	2.0
250.21249	1.1
262.23740	78.8
263.23883	3.5
304.24585	2.7
314.02594	0.8
342.20340	2.0
348.21655	1.3
352.24573	1.1
356.22079	1.7
370.25885	3.8
374.23181	9.5
375.23392	0.9
388.24945	2.0
392.24307	3.8
406.26566	6.1
407.26303	1.0
424.26886	100.0
425.22281	0.8
425.27133	8.4
434.55267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	7.1
57.07070	69.6
58.06577	3.1
67.05485	9.5
69.07050	6.6
71.08621	52.2
72.08148	13.9
73.06545	2.3
79.05480	2.8
81.07041	6.7
83.08631	4.5
85.10172	32.4
86.22660	2.1
89.06017	100.0
91.05466	3.4
93.07023	3.6
95.04948	2.4
95.08614	4.5
96.84519	2.3
97.10162	5.4
99.11731	6.6
99.85256	2.5
105.06973	3.6
107.07016	4.2
109.10168	4.9
111.11677	4.3
113.13264	5.5
117.07040	2.9
119.08530	3.0
125.15803	2.7
133.08591	61.8
133.10162	3.5
151.09644	5.7
155.08453	3.1
157.10098	2.3
177.11203	10.0
195.12143	5.1
239.14870	37.5
286.74777	2.7
302.27600	2.4
338.26227	2.3
406.25693	4.0
407.33688	33.7
424.21164	3.1
424.26828	46.6
425.26968	5.2
446.72839	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	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75459	0.7
56.96552	1.7
57.02960	0.7
58.06595	5.5
69.18296	1.7
69.18697	3.4
69.20906	0.6
72.08147	1.6
79.05506	1.3
81.03423	0.8
82.99855	2.1
84.08115	1.4
91.05476	1.2
97.02843	1.2
98.22662	1.0
98.97589	2.4
101.00867	15.3
102.00893	0.7
105.07005	0.8
107.04965	3.0
107.39557	0.8
108.08120	2.3
109.02900	1.3
113.00866	2.9
115.02400	0.7
116.98626	1.2
119.01911	32.3
120.02022	0.7
122.09686	0.7
125.37910	0.9
127.02396	1.9
127.60355	0.7
128.98509	0.8
129.06921	0.9
130.93311	1.5
131.01909	10.5
137.02931	3.3
139.02370	1.3
140.10724	1.8
143.01888	34.6
143.08528	0.8
144.02098	1.0
145.03459	11.9
145.10034	0.8
147.01427	1.1
149.02939	2.0
155.01872	14.3
156.01845	1.0
157.03471	7.2
161.02942	63.0
162.03114	2.6
163.04506	1.2
167.01881	9.9
169.03444	3.4
171.05023	2.8
173.02948	24.4
174.03102	1.6
175.04507	2.5
179.01839	4.3
179.03989	1.4
185.02937	38.4
186.03082	2.1
187.04459	2.6
191.03932	4.4
197.02945	15.4
198.03134	1.1
203.03993	15.8
209.02930	1.6
215.04007	7.5
216.96848	1.4
221.05049	1.3
227.04001	7.5
233.05061	1.1
237.02708	0.9
239.03888	1.1
242.95197	1.0
245.05052	100.0
246.05270	6.2
257.05032	4.7
260.95935	1.4
263.06113	27.1
264.06274	1.6
268.93719	5.0
275.06076	11.7
276.06253	0.8
279.03757	1.0
281.01706	1.1
286.94733	4.2
293.07156	2.8
304.94937	2.3
305.01715	1.4
305.07135	7.3
322.96393	1.2
335.08105	2.4
357.22516	0.9
365.09271	5.0
366.09290	0.7
374.23206	2.5
375.23541	1.3
392.23874	1.1
393.24518	1.7
406.25772	3.1
407.26233	2.0
408.23883	6.0
424.27075	31.6
425.11066	7.3
425.27518	21.9
426.24814	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	3.4
69.73786	3.9
72.08165	1.1
101.00869	9.4
102.65645	1.0
107.04929	2.1
108.08096	1.6
112.89578	1.8
113.00884	1.8
119.01910	12.2
122.95232	1.2
127.02349	2.3
131.01903	5.0
137.02907	1.6
140.10762	1.4
143.01895	18.7
145.03496	6.0
147.01387	1.4
155.01842	9.2
157.03474	3.3
158.99709	1.5
159.05046	1.2
161.02946	33.3
167.01849	5.9
169.03464	1.5
170.22278	1.2
173.02946	12.4
179.01898	2.6
185.02936	22.3
187.04575	3.0
189.21506	1.4
189.37575	1.3
191.04024	2.7
197.02950	10.7
203.03996	12.6
215.04019	4.0
221.05132	1.5
227.04016	4.9
245.05051	61.8
246.05304	3.5
257.05096	3.2
263.06116	17.5
275.06058	8.7
293.07339	2.4
305.07199	5.9
365.09467	3.8
408.23889	5.5
424.27246	12.4
425.10547	100.0
425.27551	9.4
426.11014	4.7
426.24808	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05500	11.1
57.07066	7.4
61.01171	4.8
67.05499	27.6
69.07050	42.6
69.42419	20.7
71.04986	7.8
71.09109	4.9
79.05482	19.2
81.07046	100.0
83.08610	14.8
91.05486	14.2
91.31991	4.8
92.61699	4.9
93.07038	43.1
95.04975	5.6
95.08592	88.4
95.25464	5.2
96.40079	5.3
97.10175	9.5
101.84410	5.6
105.07011	43.5
107.08575	58.6
109.10151	75.2
109.87926	4.8
114.10851	5.0
119.08569	33.6
121.10108	63.3
123.11705	27.9
127.11185	16.4
131.08566	11.0
133.10118	31.6
135.11693	43.9
137.13231	8.6
145.10117	18.1
147.11647	39.7
149.13268	27.4
157.10153	8.7
159.11667	35.2
161.13251	26.8
163.14835	12.6
173.13248	17.6
175.14824	18.5
177.16383	10.6
184.29305	4.4
187.14801	19.6
189.16397	20.2
191.17953	15.9
192.23708	5.0
199.14859	5.1
201.16336	11.1
203.17950	17.9
215.17921	9.7
217.19475	17.5
217.99373	5.5
229.19600	10.3
231.21022	6.4
243.20950	5.3
251.07434	5.0
257.22668	7.5
285.25696	8.1
391.41202	5.1
407.36807	12.7
425.27414	5.2
425.37738	95.0
426.38351	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	426.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.2
58.06596	4.0
59.27063	0.3
66.29607	0.3
67.62933	0.3
68.05022	0.3
69.75697	0.9
69.76054	0.3
71.04992	0.4
72.08147	1.3
74.47879	0.3
79.05483	1.0
79.56527	0.3
80.05023	0.4
83.04969	0.4
84.08115	1.7
86.09706	0.6
86.77966	0.3
91.05473	1.0
93.07015	0.4
96.08109	1.9
98.97554	0.5
102.09174	0.9
105.07024	0.8
107.04942	6.9
108.08105	2.8
110.09649	0.4
114.09191	0.5
115.05445	0.3
117.06981	0.7
121.02867	0.8
121.06539	0.4
122.09637	0.6
126.09121	0.9
129.06947	1.4
131.08572	1.1
133.06422	0.3
133.10117	0.6
138.09152	0.8
138.12422	0.3
140.10687	1.1
141.06944	0.6
143.08559	1.0
145.06467	0.3
153.06981	0.3
155.08560	0.6
157.10121	0.6
160.11133	0.4
161.09451	0.3
165.07071	0.3
167.08563	0.8
169.10081	0.6
171.08078	0.5
174.12799	0.4
178.07655	0.4
179.08563	0.5
181.10109	0.6
185.09599	0.3
188.14288	0.4
193.10110	0.6
195.11674	0.5
211.11131	0.5
213.38557	0.3
239.10748	0.4
246.14883	0.3
265.12036	0.3
328.19131	0.5
330.20801	0.4
340.19061	0.8
358.20111	2.0
372.21509	0.8
376.21246	1.8
384.92218	0.3
390.22565	1.3
408.23770	18.3
409.24197	1.7
426.24805	100.0
427.25131	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	426.248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.9
58.06592	5.8
67.05480	0.4
69.16465	1.5
72.08144	1.9
79.05484	0.8
82.06558	0.3
83.17359	0.3
84.08133	1.9
85.02885	0.3
86.09682	1.1
88.07613	0.6
88.14731	0.3
91.05463	1.4
93.07005	0.5
96.08106	1.5
98.09706	0.3
98.22701	0.6
102.09156	1.0
105.07003	0.7
107.04943	5.7
108.08097	3.7
108.38435	0.3
109.64381	0.3
110.09684	0.4
114.09139	0.4
115.05422	0.4
117.06999	1.1
119.01836	0.3
120.01971	0.4
121.02864	1.0
121.06449	0.4
122.09611	0.8
123.04427	0.3
126.09130	0.4
128.06151	0.6
129.06953	1.1
131.08524	1.0
133.06459	0.5
133.10101	0.4
135.04333	0.2
138.09094	0.6
140.10675	1.0
141.06935	0.5
143.08557	1.3
144.01988	0.3
145.06487	0.4
145.10091	0.6
148.11203	0.4
154.12263	0.4
155.08542	0.7
157.06454	0.5
157.10104	0.4
159.08009	0.4
161.02966	0.3
161.09659	0.4
162.03065	0.6
165.06953	0.5
167.08543	0.5
169.10132	0.3
171.08044	0.6
172.11163	0.3
174.12825	0.4
175.07417	0.2
179.08505	0.6
180.43083	0.3
181.09987	0.5
186.03088	0.4
186.12651	0.4
188.14256	0.4
192.09369	0.3
193.10094	0.7
195.11627	0.5
196.08801	0.3
197.09464	0.3
204.04005	0.3
207.11688	0.4
213.09273	0.4
223.11179	0.4
228.13806	0.3
239.10674	0.4
245.05164	0.4
246.05302	1.4
246.15016	0.4
247.04771	0.4
264.06226	0.6
268.16791	0.3
306.07413	0.3
328.19009	0.3
330.20621	0.3
340.19016	0.8
342.49088	0.3
348.17841	0.3
358.19928	1.8
372.21729	1.2
376.21182	1.5
390.22745	2.5
394.22064	0.5
408.23718	19.2
409.24228	1.6
425.27402	0.3
426.24741	100.0
427.19434	0.5
427.25101	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	426.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.9
58.06593	3.9
70.41198	0.7
72.08143	2.5
73.61997	0.3
73.74609	0.3
74.58723	0.3
79.05476	0.8
83.04979	0.5
84.08130	1.8
86.09683	1.9
88.07612	0.4
91.05459	1.6
93.07035	0.6
94.32418	0.3
95.04912	0.4
96.08097	0.4
97.66615	0.3
98.23307	0.4
99.92699	0.3
102.09158	0.5
105.07026	1.0
107.04934	6.6
107.08571	0.4
108.08103	5.7
114.09093	0.4
117.06989	0.9
119.04919	0.3
119.08533	0.4
121.02847	0.7
122.09627	0.6
123.04406	0.4
124.11169	0.4
128.06218	0.7
129.06970	1.1
131.08545	1.6
133.06525	0.5
133.10136	0.4
140.10680	0.6
141.07001	0.6
143.08549	1.3
145.06461	0.7
145.10126	0.6
146.49634	0.3
147.08054	0.5
152.10732	0.8
153.06950	0.4
154.12236	0.6
157.10144	0.4
159.08084	0.5
165.06958	0.4
166.07745	0.4
167.08513	0.8
169.10191	0.6
171.11621	0.3
174.12738	0.3
179.08562	0.4
181.10176	0.9
183.07991	0.3
183.11661	0.5
184.08760	0.4
188.14323	0.4
193.10089	0.5
195.11623	0.4
197.09631	0.5
197.13260	0.3
199.11119	0.4
204.13876	0.3
211.11121	0.4
211.51004	0.3
219.11563	0.3
248.50386	0.3
249.85005	0.3
260.16577	0.3
340.19107	0.8
358.19940	0.6
372.21646	2.8
376.21094	0.7
388.31732	0.3
390.22781	4.2
408.23718	19.1
409.24176	1.8
426.24780	100.0
427.25119	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	427.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25996	0.3
52.58965	0.3
53.22018	0.3
54.31548	0.3
54.78653	0.4
56.05016	0.5
57.03418	1.6
58.06590	1.0
61.02912	0.4
63.97419	0.3
67.05470	0.4
69.03409	1.3
69.67618	1.5
70.06581	0.6
71.04970	0.4
72.08123	0.5
81.03391	0.4
81.07043	0.7
83.04935	0.3
85.02910	1.9
86.09680	0.4
87.04453	0.6
93.07021	0.6
97.02878	1.5
97.06512	0.5
98.22758	0.5
99.08088	4.2
105.06989	0.4
106.32497	0.4
107.08600	0.4
115.03923	0.8
117.09113	3.5
127.03896	0.4
133.05011	0.5
145.04961	0.4
149.20912	0.4
150.07759	1.7
154.12170	0.4
167.07062	0.5
179.03391	0.5
203.05151	1.7
203.12798	0.5
247.12804	1.8
265.08771	0.5
265.14883	0.7
283.13184	0.4
311.14667	1.3
337.70789	0.3
338.63364	0.4
339.14084	4.8
347.24005	2.3
383.16904	1.6
409.26578	0.5
426.27512	6.8
427.19357	100.0
427.27661	4.4
428.14120	0.7
428.19644	6.2
428.26114	0.4
428.27945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1937
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
57.03426	1.1
58.06606	0.8
60.84470	0.4
62.55985	0.4
69.03419	1.5
69.07088	0.6
71.04976	0.7
71.44139	0.5
72.08143	0.6
81.07083	0.4
84.62534	0.4
85.02889	1.9
97.02870	1.2
99.08089	3.0
105.07017	0.5
109.02885	0.4
115.03928	1.2
117.09127	2.4
121.06491	0.7
127.03890	0.7
131.33826	0.4
133.04956	0.7
145.04974	0.6
149.05928	0.6
150.07704	2.3
155.93797	0.4
167.07181	0.5
179.03569	0.4
182.86850	0.4
185.08128	0.5
188.09630	0.4
200.80551	0.4
203.05188	1.9
215.04814	0.4
247.13084	1.8
256.74832	0.4
265.14337	1.2
311.14587	0.9
320.47598	0.4
339.14108	5.2
340.14447	0.5
346.23605	0.5
347.05499	0.4
347.24155	2.7
383.16788	1.6
390.25406	0.4
408.26437	1.1
409.18539	0.5
409.26883	0.7
426.27591	6.6
427.19391	100.0
427.27646	6.0
428.14011	0.7
428.19580	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52887	0.8
55.05509	8.0
57.07061	5.6
64.18873	0.9
67.05492	4.2
69.06702	2.0
69.07059	28.1
71.08622	2.2
79.05457	1.6
81.07043	7.0
83.08605	10.2
91.05438	1.4
93.07036	2.8
95.08570	5.5
95.66006	0.9
97.10155	3.8
98.22672	1.6
105.07038	1.4
107.08569	2.4
109.09509	0.8
109.10133	5.4
111.11701	2.2
119.08579	3.3
121.10107	2.2
123.08063	1.1
123.11698	2.3
125.13257	2.6
131.08519	1.2
134.99448	1.0
135.08031	3.5
137.09621	7.6
139.07434	1.2
145.10127	1.4
147.47699	0.9
149.09599	9.1
149.13293	1.5
151.07489	2.5
163.07539	1.0
163.11172	6.5
163.80380	1.0
165.09090	100.0
166.09462	2.8
173.09566	1.1
175.07541	2.0
175.11169	3.0
177.09143	7.8
179.10603	1.7
187.11209	1.2
189.09109	2.9
189.12582	0.8
190.09763	1.7
191.10692	7.1
201.12793	1.7
202.47717	0.9
203.10654	7.6
203.14290	1.9
205.12265	9.7
217.12196	1.8
219.13803	3.3
231.13989	2.0
233.15253	1.4
245.73569	1.0
427.30203	1.9
427.35608	10.9
428.35934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45860	0.9
54.08237	0.9
57.03424	14.1
58.06574	2.4
61.02923	1.6
68.30305	1.0
69.03419	15.6
70.06570	1.6
70.69398	1.9
73.02914	2.2
79.05541	1.0
81.01076	1.0
81.03451	1.3
81.07013	1.5
85.02887	12.3
87.04456	8.3
91.43980	1.3
97.02858	12.1
98.06931	1.1
99.08077	100.0
100.08421	1.8
115.03912	13.9
116.37894	1.0
117.09111	47.0
127.03933	1.8
128.13850	1.0
128.97673	1.1
133.04951	12.1
137.05920	1.8
141.60548	1.1
145.04916	4.2
147.50600	1.1
150.07549	1.5
164.47639	1.1
172.76239	1.1
180.06493	5.4
223.61832	1.0
225.43970	1.1
238.05406	1.3
266.15765	1.5
279.14474	1.4
359.02710	1.5
428.20074	4.8
428.28027	1.6
429.21005	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.8
58.06592	0.9
69.03422	9.1
73.02901	1.7
73.04750	1.1
75.78094	0.8
81.03429	0.9
81.07060	1.5
83.72299	0.7
85.02892	8.2
87.04460	3.6
87.17446	0.8
97.02875	7.4
98.91453	0.7
99.08078	100.0
100.08442	1.8
115.03929	6.0
117.09109	18.1
121.06482	9.0
127.03918	1.4
127.37425	0.8
130.04991	0.9
133.04938	4.5
138.09116	2.8
145.04918	1.0
218.04492	0.9
267.13483	2.7
267.60120	0.9
320.88977	0.8
364.13483	0.8
428.28131	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	428.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48343	3.0
57.03431	21.2
61.02913	6.8
69.03420	50.8
73.02901	21.4
81.03410	9.1
85.02892	100.0
87.04450	25.9
91.03944	3.7
97.02881	46.8
99.04448	6.7
109.02850	5.1
115.03912	59.1
127.03879	25.8
133.04953	45.5
145.04951	43.3
150.07596	5.1
163.06032	21.6
180.08617	3.3
211.13409	3.3
259.08005	3.8
344.48898	3.0
428.20389	5.0
428.27814	4.2
429.21152	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	429.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
56.54203	3.4
56.96551	30.9
57.03409	3.8
58.06588	3.4
61.02913	4.4
67.68044	3.2
69.03419	22.4
71.04975	9.3
71.44537	5.7
73.02881	4.7
73.04742	14.9
81.03416	18.5
84.96017	7.3
85.02891	85.3
87.04461	12.1
91.05793	28.6
96.92075	3.2
97.02880	26.5
98.96911	5.1
98.97559	80.3
99.04423	39.4
103.03925	97.2
105.05505	5.4
108.08113	3.1
109.02861	16.8
110.97569	14.5
116.98605	45.0
121.06459	8.1
123.06535	6.4
126.82804	3.4
127.03894	100.0
128.98579	18.1
130.93260	22.1
131.00165	5.7
134.99652	13.8
136.06148	10.0
143.00177	5.9
145.04922	62.2
146.99634	5.3
149.01225	4.2
150.05505	4.6
158.99701	9.5
161.01208	5.9
163.06001	30.5
164.07040	9.0
167.05524	9.8
170.99666	4.5
172.94351	19.8
177.00815	3.7
187.05998	5.1
188.54454	4.1
190.95332	18.1
204.90103	14.3
211.86859	3.8
214.95395	6.9
216.96922	6.2
219.01782	13.1
222.91191	10.8
230.94908	7.2
232.96405	18.2
237.02846	15.0
240.97018	3.6
244.96339	5.7
246.91095	52.0
248.95923	9.2
250.97394	4.7
260.96027	5.1
264.92145	31.6
271.08185	7.4
274.90494	6.7
274.97543	23.0
282.93195	7.4
288.92181	47.5
288.99066	4.7
292.91660	3.6
292.98605	17.3
306.93207	61.0
307.00018	11.3
310.05969	4.0
316.91705	17.5
324.94345	6.7
330.93204	79.4
330.97061	4.7
334.92679	23.2
348.94247	51.3
356.94904	3.5
358.96271	10.1
359.02798	15.4
368.95905	4.6
369.04938	8.9
370.07928	4.5
386.95956	8.2
387.05945	11.3
387.95181	4.3
388.09314	3.6
402.95303	10.3
404.93103	8.8
411.24777	6.6
420.96451	6.5
422.94193	7.2
428.25439	27.6
429.20657	4.5
429.25757	28.1
445.72568	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	429.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
69.03407	1.1
69.07068	0.6
70.06579	0.7
71.44864	0.4
73.04752	1.0
81.03416	0.3
81.07075	0.4
85.02884	2.1
86.03220	0.7
86.09709	0.5
87.04456	0.5
91.05804	1.4
91.89796	0.4
97.02882	0.9
99.08114	0.4
115.03938	0.5
117.09143	1.1
119.07056	1.1
127.03899	0.5
128.04282	0.4
133.04950	0.5
137.05946	0.5
138.01195	0.5
141.43263	0.4
145.04942	0.8
164.06473	0.4
167.05582	0.6
203.05354	1.4
249.14740	0.4
359.02768	0.6
371.16779	2.6
411.19907	2.4
429.20911	100.0
430.21231	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	429.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60617	0.3
70.06581	1.0
71.44950	0.4
73.04707	0.4
81.03373	0.4
83.74480	0.3
84.08129	0.6
86.09693	0.7
89.51595	0.3
95.25597	0.3
100.70229	0.3
103.25017	0.3
105.03398	0.7
110.31603	0.3
125.28314	0.3
129.10185	0.4
137.58086	0.4
139.79465	0.3
177.05550	0.5
191.10373	0.4
203.05272	1.9
215.14047	0.5
236.10158	0.3
249.14565	0.5
301.84470	0.3
371.16736	1.5
429.20908	100.0
430.21158	7.1
430.26163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05504	4.2
55.20831	0.7
57.03409	0.7
57.07065	16.8
67.05500	4.7
69.07066	3.4
70.61086	0.9
71.08620	11.7
72.13407	0.6
79.05453	1.9
80.24258	0.6
81.07040	8.2
83.08588	2.0
83.33749	0.6
85.10155	6.2
91.05454	3.0
93.07005	3.0
95.04924	0.7
95.08582	6.9
95.90498	0.6
97.07217	0.5
97.10133	2.0
105.06980	2.8
107.08566	6.8
109.06497	1.3
109.10140	5.2
111.04367	0.9
111.11720	1.1
117.06990	1.2
119.08541	4.2
121.06425	1.4
121.10121	3.7
122.07272	1.3
123.08018	1.6
123.11668	0.7
129.06990	0.8
131.08534	2.6
133.10098	2.2
135.08023	6.0
135.11624	2.0
136.08804	0.9
137.09576	10.8
139.07510	1.8
144.09351	0.7
145.10118	1.9
149.09586	15.1
149.13199	0.9
151.07507	0.9
151.14709	0.7
157.10179	0.7
159.08060	1.0
159.11607	3.3
160.08775	1.2
161.09586	0.9
162.06737	1.2
163.11150	19.2
164.08321	3.2
165.09085	100.0
166.09427	3.5
173.09569	2.0
173.13252	1.9
174.10275	0.7
175.07495	0.8
175.11145	6.0
176.08313	2.1
177.09081	11.0
177.12779	1.8
179.10611	2.1
186.10382	1.3
187.11092	2.1
189.09056	1.3
189.12752	1.3
190.09865	1.5
191.10617	8.8
201.12682	2.2
203.10620	1.6
204.11479	1.4
205.12196	9.7
215.14215	1.2
218.13087	0.7
219.13736	5.1
233.15282	2.7
247.16969	1.1
261.18323	1.3
272.72668	0.7
275.20056	0.9
289.21445	1.5
292.36313	0.7
303.23199	2.0
317.24652	1.0
331.26157	1.1
359.29507	1.1
373.31201	0.7
401.33948	2.1
411.36047	1.7
429.37192	31.5
430.37640	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	429.3723
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
53.36261	1.4
55.05508	10.9
57.07075	10.4
67.05495	12.6
69.07059	14.9
69.45287	4.5
71.08624	9.2
79.05487	9.0
81.07042	16.8
82.30181	1.3
83.04971	3.8
83.08613	9.3
85.06518	2.1
85.10166	5.8
91.05460	13.2
93.07030	16.8
95.04946	2.0
95.08596	29.0
97.06512	6.8
97.10157	6.0
105.07021	15.9
107.08582	14.5
108.52293	1.5
109.10130	11.7
111.08082	2.7
111.11684	2.1
117.06977	2.1
119.08554	12.1
120.08992	1.8
121.06531	5.1
121.10119	13.5
123.08077	4.2
123.11686	2.2
129.06967	3.4
131.08537	8.8
133.10107	15.6
135.08020	4.0
135.11687	9.4
137.09610	4.0
137.13263	2.5
141.07021	1.5
142.07803	2.6
143.08537	4.2
145.10094	8.6
147.08066	1.7
147.11676	6.3
149.09613	8.0
149.13237	3.4
151.14687	1.6
151.72160	1.4
155.08519	3.5
157.10103	12.2
159.11705	10.0
161.09535	3.0
161.13280	1.8
163.11143	10.0
163.14746	2.5
165.09079	1.6
171.11678	4.2
173.13234	3.1
177.12744	13.1
177.16440	2.1
178.13043	5.8
183.11676	3.3
185.13263	2.5
185.35497	1.6
187.14784	2.5
189.12808	2.1
190.94844	1.6
191.10684	1.6
191.14354	1.8
197.08060	9.0
197.13232	4.8
199.14841	2.6
201.16368	2.1
205.15820	1.6
211.14832	5.4
213.16350	3.0
225.16325	3.0
233.36952	1.4
239.18042	2.3
248.17316	3.3
253.19507	2.1
303.26733	2.6
317.28091	2.0
322.79486	1.4
393.35059	13.6
405.41452	1.5
411.36157	100.0
412.36609	9.0
429.31808	3.3
429.37253	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	430.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.2
53.09147	0.8
54.17823	0.8
55.01868	2.0
55.05497	1.3
57.03416	1.1
60.40584	0.8
65.03927	3.0
66.52976	1.0
69.07066	1.1
69.67451	2.9
78.33076	0.9
79.05476	3.0
81.07051	1.4
91.05449	4.7
93.03400	2.0
95.04942	1.3
95.08617	1.2
103.05415	1.1
105.07008	6.8
107.04950	9.3
115.05440	3.7
116.06225	1.2
119.08546	2.0
121.02846	10.1
121.06519	1.2
126.59148	0.8
127.34862	0.9
128.06244	0.8
131.04913	1.0
131.08553	2.9
133.06471	9.1
136.03954	2.3
136.70107	1.0
137.02383	1.1
138.05496	4.7
141.06956	1.6
143.04886	1.0
144.05702	2.2
147.04369	1.6
149.02330	7.9
159.08043	4.0
161.05957	5.3
161.09631	1.1
163.03894	18.0
163.07544	1.8
166.04971	13.6
167.03374	52.2
171.04395	4.0
177.05460	4.0
181.04944	4.3
187.03954	2.8
187.07550	3.7
189.05438	51.8
190.05756	1.6
191.03360	14.3
191.07034	3.5
192.02884	13.7
198.07556	1.6
202.51573	1.0
205.04938	1.9
205.08583	15.8
215.07014	12.5
220.06033	3.1
233.08052	93.8
234.08417	4.2
250.88306	1.0
251.09119	100.0
252.09500	3.6
314.06348	1.2
338.06494	2.3
354.09637	11.0
377.84637	0.9
380.11078	3.6
398.12314	71.8
399.12839	5.3
430.25711	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05499	1.2
57.03436	1.1
69.08266	4.7
91.05465	2.3
95.04956	0.9
98.22697	1.2
100.61555	0.7
103.05433	1.2
105.07013	9.1
107.04941	15.0
111.04397	1.3
112.14372	0.9
115.05409	3.5
117.06942	0.9
121.06486	1.7
123.04392	1.1
131.04869	1.0
131.08560	1.5
133.06468	11.4
135.04402	1.1
135.07991	1.5
138.05522	5.4
141.06969	1.7
143.04887	2.2
144.05661	1.5
145.06459	1.2
149.06052	0.7
151.03885	0.8
159.04425	0.7
159.08022	1.9
160.05147	0.9
161.02293	1.5
161.05962	11.7
163.03853	2.6
163.07494	4.3
165.01846	2.1
165.04050	1.0
166.04976	29.6
167.03311	1.4
169.06413	0.8
171.04353	19.1
173.07109	0.9
179.03358	1.2
181.01390	1.0
182.18974	0.6
187.03879	11.5
187.07454	3.8
189.05440	99.8
190.05751	3.4
191.03229	0.7
191.06985	6.5
192.02866	1.2
198.07541	4.5
200.04631	1.9
205.04880	3.6
215.06938	3.7
233.08051	100.0
234.08363	4.1
354.09683	6.3
398.12250	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	430.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73084	0.6
53.03931	1.1
55.01853	2.0
55.05499	0.9
57.03429	1.3
59.13460	0.5
61.02906	2.2
67.05511	0.7
69.03419	4.4
69.07063	4.7
79.05487	1.8
81.03403	2.4
81.07027	1.1
82.06569	0.8
83.27569	0.6
84.24216	0.6
85.02893	19.5
91.05446	3.2
95.04972	1.0
96.62191	0.5
97.02882	6.5
97.06522	4.7
97.08908	0.8
98.23442	2.0
99.04417	1.6
109.02851	1.3
116.83796	0.6
117.07006	0.7
119.04914	1.9
121.06423	0.7
123.04414	3.0
127.03892	3.0
131.08611	0.6
135.04358	0.8
137.05959	18.4
145.04991	3.8
145.06018	0.6
145.06465	0.5
159.08076	0.7
159.11621	0.6
160.05167	1.6
165.05446	5.0
169.10046	1.0
173.05956	1.9
185.09544	0.8
186.06750	1.2
187.11134	1.4
191.07010	25.4
204.07730	1.4
215.10655	6.3
233.11697	100.0
234.12082	4.7
251.12715	3.9
257.11777	0.7
324.85834	0.6
339.61490	0.6
359.14828	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05510	1.5
56.18861	1.4
57.03431	20.1
57.07071	20.2
59.04995	4.9
61.02921	3.4
63.04483	26.6
69.03420	74.3
70.03756	1.6
70.90587	1.5
71.00605	1.6
71.58829	1.3
73.02901	11.0
77.25474	1.3
77.98493	1.2
80.55621	1.1
81.03422	3.1
85.02894	60.2
85.03409	2.9
87.04456	50.1
97.02880	67.1
115.03917	83.9
119.10675	100.0
120.11109	1.8
127.03918	6.3
133.04950	68.4
145.04959	5.9
150.07602	4.8
161.11737	2.0
169.04935	2.2
187.05902	1.3
197.34050	1.4
234.93222	1.3
241.07060	3.2
251.14992	1.5
259.08160	2.8
268.29205	1.4
269.80893	1.5
295.10318	2.7
353.75223	1.7
430.25861	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81012	0.8
53.03937	2.2
55.01865	3.2
57.03431	4.5
58.06597	1.4
61.02915	8.8
68.66210	0.9
69.03423	16.3
70.06573	1.6
71.04982	2.1
71.09206	0.9
72.08139	2.3
73.02902	4.0
81.03406	7.2
84.08152	1.4
85.02894	100.0
86.03206	1.8
86.09703	5.6
87.04461	2.8
91.03948	6.9
97.02877	20.6
97.03481	1.7
99.04441	4.5
109.02853	7.2
115.03894	1.6
119.04910	1.4
127.03901	23.1
127.52175	0.8
145.04932	51.6
146.05263	1.7
147.04411	2.2
163.05991	22.3
168.50734	0.9
175.03900	4.0
207.06517	6.0
251.14717	1.2
266.20740	1.0
283.97147	1.0
340.26019	1.0
430.21188	4.2
430.25995	2.2
430.30853	1.1
433.30341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56856	0.7
52.52938	0.7
53.03928	1.4
55.01852	3.0
57.03422	4.7
61.02911	9.1
68.68083	0.7
69.03416	14.5
69.27231	1.3
69.27634	3.0
70.06598	1.0
71.04974	1.5
72.08140	2.9
72.57809	0.6
73.02895	2.5
81.03410	6.6
83.01307	0.8
84.08122	1.5
85.02886	100.0
86.03226	1.6
86.09686	9.2
87.04462	1.9
91.03934	6.3
91.05444	0.8
96.24048	0.7
97.02869	23.7
99.04436	4.5
109.02859	8.6
115.03927	1.4
119.04906	0.9
127.02924	0.8
127.03075	0.5
127.03888	25.1
145.04922	52.2
146.05301	1.4
147.04279	0.6
163.05986	20.5
175.03917	1.4
185.12912	0.8
185.16522	1.0
207.06549	2.3
213.15930	0.8
219.13303	0.9
228.13403	0.7
251.14825	1.3
326.36877	0.8
328.37531	0.8
402.88699	0.6
430.20871	1.4
430.25766	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22624	1.3
53.03936	3.4
55.01877	1.4
55.05506	12.9
56.05030	2.3
56.70952	1.3
57.03434	5.3
57.07060	1.7
58.06586	5.4
61.02914	2.3
65.03912	1.7
67.05493	24.2
69.03413	5.5
69.07043	6.8
70.06582	28.1
71.44441	1.6
73.02850	1.5
78.04683	1.6
79.05479	43.6
79.05943	2.4
81.03400	1.8
81.07043	43.9
82.06585	1.9
83.08574	3.4
84.08129	5.0
85.02889	10.9
91.05463	57.6
93.07027	38.4
94.06564	2.8
95.04946	5.5
95.08583	30.1
96.08125	9.0
97.02863	4.7
97.06525	5.8
98.09664	2.1
103.05405	1.4
105.04555	1.6
105.07013	59.6
107.08575	18.9
108.08141	3.1
109.02885	1.5
109.06520	1.9
109.10143	9.1
110.09645	7.6
111.08047	1.6
112.11137	2.1
113.91947	1.6
115.05505	1.5
117.07007	25.7
119.08549	23.7
121.10118	11.2
122.09664	2.7
123.11703	2.6
124.11176	1.9
127.03898	2.5
129.06992	2.8
130.07777	1.9
131.08543	33.2
133.10109	27.4
134.10457	1.4
135.11652	5.4
136.11220	2.9
137.05963	3.3
143.08531	2.0
144.08173	1.5
144.09276	1.8
145.10097	17.3
147.11659	10.3
149.13216	2.8
150.12761	2.6
155.08507	2.1
159.11679	19.2
161.13246	6.1
173.13206	12.0
175.14836	4.4
176.14330	1.6
177.05399	1.8
187.14815	3.5
215.17882	10.8
225.48474	1.8
232.20538	36.2
233.11655	10.2
250.21616	100.0
251.22067	5.2
268.22714	11.8
292.22574	2.1
310.18030	2.4
357.04391	1.5
370.23819	2.3
412.26712	5.3
430.22104	35.0
430.27673	16.3
431.22418	4.6
431.28366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84982	11.7
70.06582	4.4
72.08144	16.0
73.01159	3.1
81.03410	6.6
84.08130	5.5
85.02891	17.1
86.09699	47.3
88.46758	3.0
91.05471	31.1
97.02898	4.9
109.02845	5.8
119.04926	40.0
127.03909	3.5
145.04977	6.8
146.05359	4.4
147.04393	30.1
157.03932	4.1
175.03886	47.9
207.06480	100.0
208.06918	4.0
351.10471	5.3
389.09753	3.5
432.23575	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	432.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59622	2.2
55.01867	3.0
58.06591	4.4
62.69706	2.2
69.03432	4.9
69.34007	2.1
71.44527	2.6
72.08148	5.1
73.02901	3.8
85.02924	6.7
86.09683	3.4
89.06026	12.9
89.81621	2.0
97.02905	6.9
110.70857	2.2
121.06512	3.6
127.03947	3.5
133.08633	6.6
137.05995	2.9
138.05513	8.0
166.04980	73.9
166.12379	3.6
167.05345	3.5
178.04985	9.1
192.06592	9.9
198.07628	5.0
220.05977	16.3
238.07062	100.0
270.09735	14.2
287.05435	5.4
346.20227	2.5
421.43222	2.2
432.22928	22.4
432.37500	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	432.2378
Annotation	Myxopyronin B
Peak:m/z	Relative Intensity
63.79808	0.5
67.05502	0.8
69.03432	1.1
69.26810	3.0
70.06590	1.8
71.04977	0.9
77.03902	1.1
79.05486	2.3
81.03416	0.9
81.07053	1.9
82.06574	1.3
85.02900	1.5
86.09658	0.6
91.05463	5.0
93.07035	5.1
94.06560	1.0
94.44511	0.5
95.04957	3.6
95.08608	1.9
97.02874	1.0
103.05466	3.1
105.03383	12.3
105.04491	0.8
105.07024	3.6
106.03682	0.5
107.04976	0.8
107.08580	1.1
109.02859	0.6
110.09727	0.5
115.05463	1.0
117.07014	1.9
118.06581	0.6
119.04958	0.9
119.08565	0.7
120.08089	0.6
121.06491	41.0
121.10167	0.5
122.06865	1.2
123.04362	0.6
127.03971	1.3
128.06256	0.7
129.07043	2.0
130.06483	0.5
131.04956	0.9
131.08565	1.3
132.08084	1.2
133.06506	0.5
133.10201	0.7
133.32947	0.5
134.09622	0.6
135.04434	2.0
141.06982	1.0
143.08641	1.1
144.08061	0.9
145.06474	1.3
145.10130	0.8
146.06010	1.1
153.06960	0.7
155.08588	1.1
157.06525	0.7
159.08044	0.6
160.07581	1.5
161.05974	1.1
165.07024	1.5
166.12262	9.6
167.08499	1.5
168.08105	0.5
169.10106	1.0
176.07077	2.9
178.07671	0.8
179.08542	1.9
181.04926	0.8
181.06459	0.9
181.10146	1.1
182.09651	0.6
183.08043	0.9
190.08604	1.5
191.08549	1.3
192.09363	1.1
193.06384	0.5
193.10172	1.5
195.08031	1.2
195.11768	0.8
203.08557	1.1
204.09415	0.6
205.10123	1.2
206.09377	0.6
207.11642	0.5
209.09731	0.5
209.13275	0.5
211.07607	0.7
212.14296	0.7
214.12312	0.6
216.09329	0.8
216.13899	0.6
217.10114	1.0
219.11699	0.6
219.29890	0.5
221.09637	1.1
223.11087	0.5
226.08743	0.5
230.10907	0.6
233.09686	0.8
233.13197	0.8
234.12709	0.9
235.11250	1.2
235.14903	0.8
237.12878	0.9
245.13257	0.7
249.07611	1.6
249.12724	0.8
251.14215	0.9
262.15894	3.1
263.11063	0.5
263.14191	0.8
278.15280	0.9
279.13681	0.7
280.16818	0.6
287.05478	6.7
290.15576	0.7
308.16388	2.0
315.27490	0.5
326.17471	15.7
327.17834	1.2
344.18359	0.7
403.13940	1.3
414.22702	100.0
415.23026	9.0
432.24106	95.6
433.24512	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	432.2741
Annotation	Phomacin A
Peak:m/z	Relative Intensity
55.05510	0.4
56.05011	0.6
58.06593	6.1
59.12849	0.4
61.09450	0.3
66.02976	0.3
67.05483	0.7
69.27066	2.4
72.08144	5.2
79.05482	1.5
81.07065	1.4
82.06597	0.7
84.08124	0.5
85.02920	0.6
85.06539	1.3
91.05467	1.5
93.07039	1.8
95.04967	0.5
95.08596	1.1
98.09681	1.8
98.22647	0.7
105.03364	0.6
105.07019	2.7
107.08586	1.2
110.09716	2.0
117.07025	0.9
119.08569	0.6
121.06493	2.3
121.10098	0.4
122.09675	1.6
124.11234	1.6
125.15786	0.5
126.27471	0.4
129.06990	1.2
131.08577	1.9
132.08096	0.4
133.10094	1.0
135.10358	0.5
141.06993	0.8
143.08557	1.4
145.10074	1.1
147.11703	0.4
155.08549	1.8
157.10109	1.0
159.11691	0.6
160.11200	0.8
166.07625	0.4
167.08527	0.7
169.10123	1.2
171.11671	0.7
181.10020	0.9
183.11633	1.9
186.43739	0.4
189.12747	0.4
193.10089	0.8
195.11775	0.7
197.13573	0.4
200.14403	0.4
207.11581	0.8
209.13225	0.9
210.12671	0.5
211.14792	0.5
221.13235	0.8
223.14923	0.5
237.16290	0.5
238.15948	0.5
249.16417	0.8
266.19067	1.6
267.17487	0.6
287.05554	1.2
294.22086	2.3
312.23135	0.7
326.21063	9.7
327.21356	0.5
354.24216	48.8
355.24521	4.1
372.25275	17.9
372.29993	0.9
373.25540	1.2
386.22809	0.5
414.26407	5.2
418.88004	0.5
432.27399	100.0
433.27759	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	432.9641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63113	1.5
56.96551	8.3
60.56839	1.5
69.26917	5.5
71.88297	1.4
82.40422	1.6
91.31520	1.3
95.74260	1.5
98.22645	2.6
98.97569	83.4
99.97928	1.4
110.38229	1.5
116.98605	47.4
134.99632	15.4
155.14471	1.6
172.94283	2.5
190.95450	3.0
191.13692	1.6
214.95407	3.4
232.96603	6.9
250.97607	3.8
256.96448	17.3
258.99783	6.0
260.00049	1.9
274.97467	100.0
275.97693	3.8
276.97949	1.6
277.00772	7.3
282.99960	3.0
292.98520	53.5
293.98734	2.5
298.97751	4.2
301.01025	4.0
302.01169	1.6
316.98737	6.0
317.99060	2.1
318.98492	1.6
325.88776	1.5
353.98145	1.4
358.48358	1.6
368.00677	1.4
414.95480	9.8
428.89554	1.8
432.96356	13.1
440.98932	1.5
458.99887	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	433.1125
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.86686	0.2
58.06581	0.2
58.33290	0.2
61.94923	0.2
65.03933	0.2
67.05476	0.3
68.99775	0.6
69.07074	0.2
69.08485	0.8
69.08905	0.5
71.04980	0.4
79.05474	0.4
85.02892	0.5
87.74513	0.2
91.05474	0.3
95.04936	0.5
98.22695	0.3
105.03382	0.5
105.07010	0.2
107.04929	0.8
109.02856	0.5
111.00794	0.9
111.04356	0.2
117.20204	0.2
119.08552	0.2
121.02851	3.2
121.03687	0.3
121.04063	0.2
121.06422	0.2
127.03880	0.2
129.06963	0.2
133.02838	0.4
133.06482	0.2
135.04436	0.2
137.02332	1.1
141.06938	0.2
143.08112	0.2
147.04370	0.8
150.09126	0.4
153.01807	4.5
157.06497	0.6
161.05962	0.4
165.01831	2.0
167.06953	0.2
169.06531	0.2
175.07585	0.2
181.04930	1.5
183.02870	1.1
185.05939	0.5
189.05507	0.2
213.05400	1.8
221.08015	0.3
231.06511	0.6
241.04971	1.0
243.06505	0.3
258.05185	1.6
259.06049	0.3
287.05457	100.0
288.05814	4.8
338.09180	0.2
403.13770	0.5
432.26962	0.3
433.27643	0.2
434.23175	0.5
437.57794	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.1
57.03415	0.1
62.04773	0.1
67.01863	0.1
67.05508	0.3
68.99778	0.7
69.03437	0.2
69.24837	0.4
69.25246	0.2
71.04972	0.3
79.05483	0.4
81.03414	0.1
81.07039	0.3
83.04996	0.1
85.02882	0.5
86.06512	0.1
91.05466	0.2
93.07024	0.2
95.04911	0.2
95.08602	0.3
97.02873	0.2
98.23418	0.3
105.03374	0.5
105.07000	0.1
107.04933	0.5
107.08585	0.2
109.02841	0.3
109.10149	0.1
111.00790	1.0
111.04423	0.1
117.06970	0.1
117.63510	0.1
119.08598	0.1
121.02847	3.1
121.06454	0.2
121.10091	0.2
124.07568	0.1
127.03880	0.3
129.06969	0.1
131.08646	0.1
133.02808	0.5
133.10126	0.2
135.04402	0.2
137.02321	1.2
141.06949	0.1
145.06488	0.3
147.04379	0.6
148.01973	0.1
153.01799	5.1
157.06433	0.6
161.05963	0.3
165.01814	1.8
171.04393	0.2
175.03835	0.2
181.04921	0.2
183.02911	0.9
185.05957	0.6
189.05431	0.2
197.06021	0.3
203.03535	0.2
213.05424	1.6
231.06522	0.7
241.04945	1.1
252.23193	0.2
258.05219	1.6
259.05966	0.5
270.24274	0.2
271.24359	0.1
287.05447	100.0
288.05774	5.1
332.71484	0.1
336.29376	0.1
352.13467	0.1
403.13934	0.1
414.27847	0.2
432.29245	0.2
433.11014	0.2
434.19708	0.2
434.24951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.07784	0.1
68.99786	0.5
69.23081	0.6
69.23486	0.3
71.04974	0.3
79.05476	0.2
85.02891	0.5
91.05438	0.1
105.03415	0.4
107.04952	0.4
109.02839	0.3
111.00776	0.9
121.02856	3.3
121.03819	0.2
121.04009	0.2
121.06469	0.2
122.76073	0.1
129.05455	0.2
129.06987	0.2
133.02817	0.6
136.85313	0.1
137.02315	1.0
145.06476	0.2
147.04384	0.7
153.00623	0.3
153.01805	4.6
157.06453	0.6
161.05922	0.2
165.01823	2.2
171.04396	0.2
183.02878	0.9
185.05956	0.5
197.05927	0.2
203.07030	0.3
213.05428	1.6
231.06516	0.6
241.04906	0.9
243.06621	0.2
258.05148	1.5
259.05881	0.6
269.04315	0.3
287.05453	100.0
288.05777	4.4
308.65625	0.1
432.27637	0.2
433.11063	0.2
434.29315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06693	0.1
55.05507	0.1
55.08775	0.1
55.41838	0.1
58.06573	0.2
59.31925	0.1
65.77716	0.1
67.05478	0.2
67.40954	0.1
68.99427	0.1
68.99790	0.6
69.03424	0.3
69.23855	0.7
71.04982	0.5
79.05473	0.5
81.03397	0.2
81.07051	0.2
83.39553	0.1
85.02885	0.8
91.05444	0.2
93.07030	0.2
95.04946	0.3
95.08605	0.3
97.02879	0.2
99.04437	0.1
105.03354	0.4
105.07030	0.3
106.08073	0.1
107.04942	0.5
107.08582	0.2
107.81136	0.1
109.02866	0.4
109.10162	0.2
111.00794	0.8
111.04420	0.1
121.02849	3.2
121.06461	0.3
121.10093	0.2
127.03893	0.3
129.07002	0.2
131.66202	0.1
133.02820	0.5
137.02362	1.1
137.05898	0.1
145.06450	0.2
147.04388	0.6
153.01814	4.2
153.03058	0.2
157.06456	0.5
161.05956	0.3
165.01823	1.8
167.07013	0.3
171.04424	0.3
175.03841	0.2
181.04933	1.0
181.68950	0.1
183.02823	1.1
185.05986	0.4
197.05899	0.2
203.07013	0.2
213.05458	1.6
221.08018	0.2
229.04950	0.3
231.06502	0.9
235.09683	0.1
241.04851	1.1
243.06522	0.2
249.07690	0.1
252.20735	0.1
252.23204	0.2
258.05212	1.1
259.06024	0.4
269.04379	0.2
270.24228	0.4
271.05927	0.2
271.24585	0.2
287.05447	100.0
288.05786	5.8
292.50229	0.2
306.35385	0.2
356.22391	0.2
403.14056	0.3
432.29138	0.2
434.24606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Vitexin
Peak:m/z	Relative Intensity
50.58392	0.6
53.03910	0.7
55.01844	0.8
57.03403	1.5
58.06541	0.7
67.05452	0.8
68.99757	1.5
69.03430	3.7
69.22996	3.5
70.53279	0.6
73.02885	0.8
79.01808	1.6
79.05444	1.3
81.03343	2.9
85.02905	5.3
86.09645	0.8
87.04391	1.9
88.66819	0.8
91.05420	2.4
93.06991	1.6
95.04917	1.6
97.02881	3.7
97.62320	0.7
98.22708	1.5
103.05414	1.6
105.03321	2.7
105.07027	12.1
106.03686	0.8
109.02794	1.9
115.03905	4.2
119.04916	3.4
119.08509	2.1
121.02067	1.0
121.02851	16.3
121.06497	7.7
122.06873	3.3
124.07546	1.1
127.03837	1.5
133.04955	3.7
136.07549	1.4
136.89885	0.8
138.03018	1.2
141.01811	0.8
145.02834	3.5
147.07938	1.1
149.02267	1.6
150.20467	0.7
156.32132	0.7
159.04350	0.7
163.03909	3.6
164.06985	2.8
165.01828	9.3
166.12247	1.4
167.03351	1.6
171.04137	0.7
177.01772	1.2
179.03351	1.3
181.04897	1.2
181.06512	0.7
183.02827	3.1
185.09642	0.9
187.03819	1.0
188.10672	0.7
189.05473	0.7
191.03371	1.5
192.09042	0.7
195.02782	1.2
203.03304	0.8
205.04794	1.7
211.07495	0.8
213.05450	3.2
217.04912	3.9
227.06993	1.4
228.07825	0.9
229.04909	1.3
239.06865	1.9
242.05649	0.7
243.02859	1.5
243.06470	1.2
255.06532	4.7
256.07272	6.6
259.05872	1.6
261.03891	1.6
266.05807	0.8
267.06525	4.6
268.07129	0.8
270.05228	2.0
271.05887	6.0
279.06476	1.6
281.08072	3.1
283.05972	100.0
284.06720	36.0
285.07413	3.3
287.05319	4.0
295.06064	13.5
295.09525	1.7
297.04343	0.8
297.07529	15.7
297.10672	0.5
305.08020	2.1
307.05963	1.8
308.06699	3.2
309.04068	1.0
309.07501	14.0
310.07913	0.7
311.05353	2.4
313.07019	91.0
314.07318	4.9
321.07394	1.6
323.05630	1.6
323.09091	21.0
324.09470	1.7
325.07047	3.5
333.07486	2.5
337.07050	28.0
338.07367	2.3
343.08160	3.6
349.06989	7.3
351.08444	4.7
355.08450	1.1
361.07169	5.5
367.08102	18.5
368.08322	1.2
379.08102	15.0
397.09161	24.8
398.09424	1.9
415.10181	31.5
415.22632	1.4
416.10593	2.1
433.11295	36.8
433.20480	2.0
434.11600	2.4
434.29175	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	433.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01857	0.3
58.06590	0.5
58.26862	0.2
62.67843	0.2
67.81459	0.3
69.03421	2.7
70.18096	0.3
70.18418	0.3
71.04981	0.5
72.08093	0.3
73.02905	0.4
74.86834	0.2
77.64925	0.2
81.03408	2.8
85.02891	6.4
87.04472	0.3
97.02882	4.1
99.04446	3.8
99.09771	0.2
103.03925	4.2
107.04935	1.4
109.02862	2.8
112.48067	0.2
115.05430	0.2
125.02307	0.3
127.03895	100.0
128.04242	2.4
145.04942	3.0
159.37985	0.2
163.05965	0.5
167.07115	0.2
181.04919	0.9
187.06013	0.9
255.10072	0.6
267.91104	0.2
271.08057	0.4
272.12833	0.6
310.21750	0.3
328.18985	0.5
330.63464	0.2
338.62225	0.2
356.22183	3.1
374.23218	1.1
403.13629	0.6
406.08661	0.2
416.24213	0.9
430.91113	0.3
432.23785	0.4
433.23993	0.5
434.18079	1.0
434.25241	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	433.1336
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03935	1.0
55.05506	0.3
57.03437	0.3
58.06587	0.3
58.92862	0.2
61.02914	0.3
69.03429	2.0
69.76006	0.5
71.04988	0.3
72.08138	0.6
73.02907	0.6
81.03415	2.6
85.02897	6.1
86.09688	0.2
97.02880	4.0
98.22697	0.2
99.04453	4.0
100.19656	0.2
103.03927	3.9
103.72505	0.2
107.04938	0.6
109.00743	0.3
109.02871	3.5
109.03551	0.4
110.84575	0.2
115.03918	0.2
127.03902	100.0
128.04211	1.3
145.04938	3.9
157.39609	0.2
163.06027	0.4
181.04932	0.5
187.06009	0.8
199.06067	0.3
271.08218	0.6
272.12872	0.3
310.21722	0.3
326.51230	0.2
328.19049	0.9
355.05682	0.2
356.22168	3.6
374.23212	1.0
416.24261	0.7
434.19156	0.3
434.25330	8.9
457.91168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1668
Annotation	Artocommunol CA
Peak:m/z	Relative Intensity
57.03426	7.6
59.04988	1.0
69.03419	17.8
70.09528	2.5
73.02905	4.0
74.33069	0.9
85.02896	13.9
87.04459	13.9
97.02878	15.1
99.04491	1.3
107.04921	1.1
109.02840	1.3
111.89949	0.8
115.03908	19.9
127.03899	3.3
132.04225	0.9
133.04955	23.8
142.60632	0.9
145.04921	4.7
146.39052	0.8
150.07634	3.1
163.05905	0.9
221.05081	1.7
259.07968	1.1
272.32288	1.0
301.11838	1.2
385.81766	0.8
433.16757	100.0
434.17212	6.2
434.25522	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39305	1.0
52.46721	0.9
57.03429	7.8
59.04996	1.8
60.04510	1.1
60.27328	1.0
61.02905	1.2
61.94184	1.0
69.03420	24.1
70.57659	1.8
71.01369	1.1
73.02908	2.7
81.03421	1.0
85.02898	23.1
87.04456	21.0
91.68437	0.9
97.02882	21.8
104.99041	1.2
107.04905	1.7
109.02875	1.2
115.03918	30.5
127.03908	4.1
133.04953	32.3
142.73489	1.0
145.04945	4.8
150.07599	4.4
163.05971	1.9
221.05032	1.7
245.07091	1.1
245.66728	0.9
251.90395	1.1
301.12015	1.6
364.78992	1.2
391.12610	1.0
412.53433	1.1
433.16769	100.0
434.17401	6.5
434.25201	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03428	21.1
58.06583	2.5
59.04993	2.7
59.40733	1.5
61.02913	2.7
64.19273	1.5
69.03065	3.2
69.03423	48.3
69.91077	3.9
70.31717	1.6
72.08133	2.0
73.02911	12.8
81.03397	1.8
83.77844	1.7
85.02892	47.9
87.04459	33.5
97.02884	42.9
98.22726	2.5
99.04469	2.1
109.02851	2.4
115.03912	59.1
115.04700	3.8
116.04209	2.0
116.95570	1.5
127.03901	18.5
133.04958	61.4
135.00127	1.7
145.04933	14.1
150.07568	11.6
163.06010	4.6
180.08632	2.1
230.50603	1.6
241.07207	2.5
301.12534	3.8
328.22708	2.5
416.24298	4.0
433.16763	100.0
434.17142	8.7
434.25397	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	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.01871	3.3
55.05505	19.3
57.03419	16.1
57.07066	8.6
67.05153	5.6
67.05493	70.8
67.78530	3.1
69.07061	19.6
71.43273	3.0
79.05482	46.1
81.07044	70.2
83.08613	8.9
91.05463	22.2
93.07028	53.4
95.04963	6.7
95.08584	53.4
97.06511	5.2
98.98452	100.0
105.07017	18.3
107.08593	35.6
109.10139	26.1
117.07020	8.2
119.08552	17.6
121.10126	31.5
123.11703	7.2
131.08560	15.2
133.10117	13.6
135.11659	20.1
136.99956	6.9
137.13185	6.3
145.10104	13.8
147.11682	10.5
149.13199	16.7
155.01054	13.0
159.11661	9.9
161.13261	8.7
163.14801	10.1
172.32365	3.1
173.02119	17.1
173.03395	3.1
173.13255	9.7
177.16469	3.5
187.14810	7.4
233.22670	3.4
241.59624	3.0
243.21194	17.3
261.22113	50.9
261.24640	5.5
262.22501	4.4
297.24152	4.2
317.24600	7.9
335.25732	84.2
336.25974	5.2
401.65628	4.2
403.10141	9.6
433.14902	11.1
433.23264	5.3
433.28809	4.9
442.97256	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.57384	1.0
55.01862	2.6
55.05502	7.2
57.07038	1.5
59.04986	1.1
60.67422	1.0
67.05493	14.6
67.95023	0.9
69.07057	9.5
69.53349	2.0
69.53736	2.5
71.04978	1.9
73.06519	1.6
79.05481	16.6
81.07043	37.4
83.04977	3.6
83.08620	2.9
85.06531	3.4
91.05466	13.3
93.07030	18.0
95.04967	3.9
95.08582	10.5
97.06519	2.6
97.10211	1.8
98.22585	1.0
99.08112	1.1
105.07012	16.1
107.04950	6.9
107.08578	10.5
109.06493	12.8
109.10125	4.7
109.18451	0.9
111.08080	1.7
117.06985	5.5
119.08552	8.6
121.06474	8.8
121.10123	6.1
123.08060	3.7
123.11747	1.2
129.06989	2.7
131.08539	12.4
133.06476	3.4
133.10123	11.0
135.08031	3.7
135.11667	3.0
137.09569	2.3
141.07019	1.0
141.09079	2.8
143.08553	3.4
145.06490	2.2
145.10086	10.3
147.08026	2.3
147.11612	7.7
149.09593	3.3
149.13234	1.9
151.11205	1.8
155.08565	1.8
157.10135	3.1
159.08014	1.6
159.11671	5.6
161.09673	2.0
161.13313	1.8
163.11159	2.8
171.11652	2.3
173.09669	2.3
173.13245	2.9
175.11174	2.8
177.12723	1.3
182.08154	1.0
183.11742	2.4
187.11143	1.3
187.14795	1.5
191.14265	1.1
199.14763	1.4
201.12749	2.7
207.13832	1.3
215.17871	1.8
219.13829	1.6
229.19432	2.3
233.18912	1.2
239.17863	3.5
247.20570	3.3
251.64624	1.0
257.19012	11.0
268.99164	1.1
270.33481	0.9
275.20016	100.0
276.20380	6.8
397.65674	0.9
403.10181	3.9
433.14810	4.3
433.29315	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	434.1804
Annotation	Naamidine D
Peak:m/z	Relative Intensity
51.02362	0.5
52.49828	0.4
53.03933	0.8
54.62878	0.5
55.01846	0.8
57.03419	0.9
57.18064	0.3
58.06594	0.4
60.62038	0.4
61.02914	1.6
62.58908	0.3
62.70704	0.3
65.82120	0.3
67.12702	0.4
69.03414	5.2
70.73021	0.8
71.04970	0.5
73.02899	0.8
79.05497	0.8
81.03406	2.3
84.08141	0.4
85.02890	8.2
87.04428	1.4
91.03916	0.5
91.05465	1.5
93.07021	0.5
95.04953	1.6
97.02892	2.6
99.04443	0.7
103.05462	1.0
105.07004	0.5
107.04935	100.0
108.05254	2.3
109.02866	1.1
113.05997	1.3
114.09138	0.5
115.05441	6.2
117.07024	0.8
119.04944	0.5
121.06467	2.2
123.04408	11.4
127.03900	1.3
131.04913	1.7
133.06485	2.0
137.05971	1.8
143.04895	11.8
144.08180	0.4
145.04951	0.5
145.05225	0.7
145.06453	9.1
147.04390	0.4
149.05962	2.6
152.06013	0.5
155.05992	0.9
161.05952	27.3
162.06313	0.8
164.07051	1.6
181.06348	0.5
181.10083	0.7
187.64064	0.4
190.08571	4.2
191.08612	1.1
194.07208	1.0
197.09691	0.4
209.09592	2.4
219.08095	0.9
226.06253	1.1
227.07100	0.6
237.09062	4.6
240.07762	0.7
243.10129	0.4
254.11703	0.8
255.10112	41.8
256.10480	2.6
272.12766	25.7
272.15820	0.4
273.13162	1.2
337.44833	0.4
434.18036	54.7
434.25119	5.2
435.18927	3.3
435.28256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1807
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03928	0.7
54.13491	0.5
55.01843	0.8
56.96555	0.8
57.03421	1.4
58.06577	1.6
61.02905	1.5
65.03912	0.6
68.95108	0.5
69.03428	5.1
71.04965	0.9
71.06253	0.5
73.02905	0.7
77.03912	0.6
79.05470	0.7
81.03400	2.0
84.08145	0.5
85.02893	9.3
86.09689	0.7
87.04470	1.0
91.03943	0.6
91.05460	1.4
95.04951	1.6
97.02869	3.7
98.97581	1.2
99.04444	0.8
105.03330	0.6
105.07005	1.2
107.04939	100.0
108.05279	2.3
109.02872	1.1
115.05441	6.8
116.98612	1.2
117.06980	1.3
119.04947	0.9
120.17841	0.5
121.05638	0.9
121.06444	3.9
123.04409	11.7
127.03896	2.2
131.04907	1.5
133.06444	1.9
134.49725	0.5
137.05949	1.8
143.04912	13.5
143.06038	0.9
145.05240	0.9
145.06461	9.3
147.04337	0.9
149.05991	2.2
155.06052	1.3
161.05952	27.6
162.06375	0.7
164.07059	4.1
173.05937	0.5
175.96477	0.6
181.10049	0.6
190.08614	2.9
191.08488	1.3
194.07314	0.7
195.03047	0.5
209.09610	2.5
214.20364	0.6
215.60544	0.6
219.08031	0.7
226.06343	0.7
231.05498	0.9
237.09149	4.6
255.10123	37.0
256.10400	1.6
272.12775	32.1
273.13107	1.6
374.23367	1.6
375.10065	0.8
393.10397	0.9
434.18060	78.1
434.25055	7.1
435.12723	2.4
435.18381	5.2
435.24472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.4
57.03430	28.0
59.04994	3.6
61.02910	8.3
69.03419	88.0
69.40462	9.2
72.99565	1.8
73.02905	18.7
81.03399	5.8
85.02893	100.0
87.04454	52.1
91.03931	5.1
97.02878	67.3
99.04462	3.1
105.07016	15.1
109.02886	4.9
115.03909	96.0
120.52571	1.8
121.06490	3.5
121.83241	2.0
122.06830	3.3
127.03905	21.2
133.04945	96.9
145.04939	41.0
147.08015	2.9
150.07593	16.0
163.05998	16.9
189.09215	3.2
201.09122	2.6
203.25383	2.3
219.10098	2.4
241.06946	3.8
272.27615	2.1
277.09094	3.1
285.13239	4.8
295.10193	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03923	0.8
54.44117	0.5
55.01830	0.6
57.03428	3.6
59.05000	1.0
60.04502	1.1
61.02912	0.9
69.03418	15.1
69.33660	2.1
73.02905	1.7
77.03907	0.7
79.05495	4.4
81.03401	1.0
85.02893	13.8
87.03957	0.8
87.04455	10.5
90.56932	0.5
91.05458	1.9
95.04963	1.4
97.02880	14.6
97.03487	1.1
99.07348	0.5
103.05468	2.6
105.07016	100.0
106.07325	2.6
109.02865	1.0
115.03106	1.0
115.03911	19.5
117.07008	2.3
119.08567	4.4
127.03908	1.8
129.07004	3.5
131.04767	0.5
131.08543	0.9
133.04948	19.4
141.07005	0.6
142.88344	0.5
143.08524	1.6
145.04907	3.3
145.06483	2.0
147.08017	5.7
150.07565	3.5
153.06999	0.8
155.07416	0.5
155.08492	2.7
159.08006	1.7
163.06009	2.0
171.08041	0.8
173.09621	1.3
183.08084	0.9
189.09023	2.7
201.09187	0.9
212.01680	0.5
219.10114	0.7
231.10101	0.5
249.11208	0.6
259.08176	1.1
277.09134	1.0
295.10291	2.1
335.63416	0.5
356.22220	2.1
416.24094	1.0
434.25232	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	434.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26241	0.9
57.03434	8.4
58.06579	2.0
58.58957	0.9
59.04995	1.5
59.72191	1.1
60.04506	2.0
61.02917	2.2
67.05515	1.1
67.34778	1.1
69.03056	1.9
69.03422	24.4
71.04985	1.5
72.08144	1.2
73.02905	5.3
75.04466	1.6
77.73450	1.0
79.05481	2.6
81.03391	1.3
85.02894	18.1
87.04459	14.8
91.05454	1.9
93.07024	1.2
95.04969	2.0
96.83029	0.9
97.02877	23.3
99.04456	1.1
103.05460	2.4
105.07018	100.0
106.07352	1.6
107.04986	1.9
107.08591	3.0
109.02880	1.2
115.03918	25.1
117.07031	1.1
119.08575	9.8
121.02901	1.0
121.06512	4.9
122.06831	1.5
127.03870	3.2
131.08540	2.5
133.04950	27.0
137.05948	1.3
142.41232	0.9
143.08533	3.1
145.04939	2.5
145.10098	3.2
147.07980	6.4
150.07597	6.5
159.08014	3.8
161.24614	1.0
167.08557	0.9
171.08014	2.0
173.09641	1.7
181.04927	2.4
187.05956	1.1
189.09094	3.9
201.09113	1.3
206.15353	1.6
219.10159	2.2
231.10017	1.0
233.07954	1.4
237.11163	1.9
283.05844	1.8
284.06342	6.7
285.06961	3.6
288.05963	1.5
295.10187	1.0
296.06384	1.4
298.07721	1.1
313.07065	2.0
314.07480	9.1
324.09445	1.7
330.20599	6.6
338.07327	2.5
338.21057	1.4
342.20581	1.4
356.22183	5.6
368.08453	2.6
370.23376	2.1
374.23007	1.8
380.08667	1.8
398.09409	3.8
402.26398	3.1
405.26846	1.3
416.10428	5.6
416.23373	2.9
434.11633	6.7
434.24570	8.2
434.28943	18.1
435.29626	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
53.65609	0.3
55.01861	0.6
55.05496	1.1
56.05035	0.3
56.53295	0.3
56.96560	0.3
57.03415	0.4
58.06596	2.9
61.02934	0.5
65.31741	0.3
67.05491	0.6
69.03434	1.5
69.59505	1.1
70.06580	1.0
72.08131	1.2
73.02910	0.4
74.06097	0.4
79.05482	1.1
81.03398	0.7
82.06571	1.0
83.04988	0.7
84.08127	0.7
85.02887	2.4
86.09680	0.9
87.04439	0.4
91.05465	1.8
93.07032	0.9
94.06563	0.4
95.04959	0.9
96.08110	3.2
97.02891	0.9
98.09652	0.3
98.23476	0.4
98.97586	0.4
101.06012	0.8
103.05462	0.3
105.07020	1.1
107.04942	23.8
107.08607	0.6
108.05283	0.8
108.08117	0.8
109.02824	0.4
109.23775	0.3
110.09695	0.6
110.36561	0.3
112.07606	0.9
113.05986	5.7
114.09155	11.3
115.05444	1.8
117.07030	1.5
119.04919	0.5
119.08558	0.5
121.06490	0.7
122.09653	2.1
123.04379	2.7
127.03899	0.4
129.07007	1.5
131.04918	0.9
131.08488	0.7
133.06479	0.6
135.08012	0.4
137.05928	0.6
139.46159	0.3
140.10643	0.4
141.06982	0.6
143.04904	2.0
143.08563	0.8
145.06447	2.5
145.10071	0.3
147.04395	0.4
148.11240	0.5
149.05963	0.8
151.07483	0.3
155.06104	0.3
155.08553	1.3
157.06462	0.8
157.10139	0.8
159.08038	0.3
160.11205	0.6
161.05960	5.6
161.09621	0.4
163.07526	0.5
164.07077	1.1
167.08511	0.7
169.10074	0.6
171.08025	0.4
171.11743	0.5
172.11119	0.6
174.12720	0.3
179.08565	0.6
181.10130	0.7
183.11687	0.5
185.09648	0.4
186.12714	0.6
189.09024	0.6
190.08621	2.9
191.08701	0.4
193.10133	0.5
195.11755	0.4
197.09557	0.5
198.12744	0.6
207.11707	0.5
209.09589	1.0
211.11143	0.4
219.08163	0.4
237.09099	0.8
255.10121	9.7
256.10580	0.5
272.09644	0.7
272.12762	6.3
291.10400	0.7
295.16495	0.4
298.17819	0.4
312.19495	2.2
328.18869	0.3
328.22513	0.4
330.20624	3.7
338.21219	1.4
346.05811	0.3
356.22162	3.8
357.22455	0.4
373.14566	1.7
374.23236	9.7
375.12561	0.7
375.23773	0.4
392.24280	2.7
402.22516	0.8
416.24658	0.7
434.18161	13.2
434.25317	100.0
435.14600	16.3
435.25360	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	434.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.3
55.97103	0.3
56.04981	0.5
58.06596	6.7
63.64787	0.3
65.56989	0.3
67.05479	0.4
69.15239	2.2
70.06564	0.4
72.08147	3.8
74.90157	0.3
79.05470	0.7
79.14216	0.3
81.07014	0.4
82.06515	0.6
83.93754	0.3
85.02868	0.4
91.05446	0.9
93.06999	0.8
95.08565	0.7
98.09637	1.4
98.68369	0.3
101.63566	0.3
105.07018	1.7
107.04926	0.4
108.08027	0.3
110.09676	1.9
112.11143	0.4
117.06962	0.4
119.08607	0.5
122.09621	1.2
124.11181	0.8
127.03898	3.0
128.04196	1.3
128.06227	0.3
129.06938	0.4
131.08510	0.9
132.08031	0.8
133.10092	0.5
143.08527	1.0
145.10091	0.6
155.08537	1.2
157.10042	0.9
159.10291	0.4
159.11617	0.4
167.08484	0.5
169.10115	0.4
171.11642	0.5
172.11240	0.5
181.10069	0.5
183.11673	0.7
193.10246	0.4
204.10124	0.4
207.11630	0.4
221.13138	0.4
237.16435	0.6
247.14751	0.5
253.15823	0.4
282.18484	1.8
294.22360	0.5
310.21594	6.0
311.22018	0.6
328.19049	7.5
328.22537	0.6
329.19327	0.7
338.21136	0.7
356.22159	49.4
357.22458	4.3
370.23663	0.5
374.23227	14.3
375.23575	1.5
388.24997	0.5
416.24268	6.4
417.24509	0.6
434.25348	100.0
435.25656	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	434.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05591	0.5
56.05138	1.0
58.06717	0.7
67.05332	0.8
67.05647	0.7
69.03672	0.4
69.62161	0.8
69.62581	1.6
70.06404	1.1
70.06788	0.7
71.04841	0.6
72.07955	1.0
79.05280	1.0
79.05720	0.8
80.04786	0.4
81.06862	0.7
81.07280	0.6
82.06368	1.1
85.02718	0.7
86.09487	1.3
91.05237	2.0
91.05840	0.6
93.06848	0.6
95.04816	0.5
95.08428	0.5
96.07964	0.7
105.03213	0.8
105.03808	0.5
105.06762	1.6
107.04736	0.9
110.09512	0.5
115.05206	0.5
117.06827	0.9
119.04724	0.5
119.08354	0.8
121.06298	1.0
122.09419	0.9
127.03630	4.6
127.04642	0.8
128.03967	1.9
129.06725	2.0
131.08344	0.9
132.07843	0.8
133.05901	0.7
141.06705	1.9
143.08269	1.2
143.11594	0.5
144.07829	0.5
145.06235	0.4
145.09799	0.6
146.09428	0.7
147.04106	1.1
151.03630	0.4
153.06758	0.7
154.12112	0.4
155.08246	2.4
157.09906	0.7
158.09300	0.5
159.11511	0.5
165.06683	1.5
165.07959	0.5
166.07411	0.4
167.08267	2.9
169.06293	0.4
169.09799	1.3
171.07816	0.5
171.11386	0.7
172.10979	0.5
178.07384	0.7
179.08250	2.5
180.09152	0.7
181.09825	1.8
183.07825	0.7
184.10951	0.6
185.09354	0.5
186.12338	0.4
191.08385	0.8
192.09030	1.4
193.09821	2.0
194.09306	0.9
194.10846	0.6
195.07811	1.0
195.11407	1.4
196.10904	0.5
197.09286	0.5
197.13159	0.7
201.12245	0.6
202.12228	0.6
203.08269	1.2
204.09128	0.8
205.09827	1.3
207.07796	0.5
207.11371	2.0
209.09384	0.5
209.12988	1.1
217.09941	0.8
218.10541	1.6
219.11435	1.1
221.09424	0.6
221.13132	1.1
223.11021	0.8
231.11415	0.6
233.13013	1.1
235.10953	0.6
235.14577	0.8
236.14088	0.6
237.12514	0.7
238.15625	0.7
243.11447	0.5
249.12427	0.4
254.15228	0.5
264.09924	0.6
264.17178	1.2
279.13339	0.5
282.18277	0.8
283.23312	0.4
292.16830	1.0
309.08472	0.5
310.17999	3.0
328.18887	6.1
329.19162	0.5
356.22040	0.6
398.23325	1.0
402.22943	0.5
416.24225	100.0
417.24570	7.2
434.25333	91.0
435.12634	1.0
435.19635	0.8
435.25620	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	434.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34113	0.7
55.05500	0.9
56.05023	1.5
57.58587	0.6
58.06591	4.8
67.05503	1.5
68.53550	0.7
70.06580	2.7
71.05009	1.7
71.44017	0.7
72.08141	1.3
79.05494	2.6
81.07044	1.6
82.06570	2.4
84.08133	1.1
85.02909	0.8
85.06532	0.9
91.05470	3.7
93.07043	2.8
94.06551	1.0
95.04957	0.9
95.08594	1.6
96.08099	4.4
97.02901	2.4
98.09680	2.0
103.05429	1.2
105.07020	7.0
107.04931	1.0
107.08578	1.3
108.08118	0.7
109.06521	1.4
109.10111	1.0
110.09688	1.4
110.14725	0.7
116.69907	0.7
117.07008	2.2
119.08549	1.6
120.08087	1.2
121.06466	1.7
122.09661	1.1
123.08086	1.2
128.06201	0.9
129.06984	2.2
130.77237	0.6
131.08539	2.9
133.10130	2.7
135.08067	2.5
141.06992	1.5
143.08542	2.6
144.08075	1.5
145.06485	0.8
145.10133	2.4
148.07516	1.2
154.07664	0.9
155.08565	3.5
156.08153	0.8
157.10149	2.7
158.09648	1.0
159.11671	0.8
165.07050	1.5
166.07776	1.0
167.07162	1.5
167.08598	2.1
169.10114	1.9
171.11681	1.3
178.07738	0.8
179.08562	2.8
180.09335	1.5
181.08740	0.7
181.10101	2.4
182.09610	0.9
183.11720	1.9
192.09380	1.6
193.10117	3.3
194.10904	0.8
195.11737	1.4
201.14886	0.7
204.09393	0.7
205.10144	3.3
207.11638	2.2
209.09688	0.9
209.13319	1.9
217.10123	1.6
218.10912	1.2
219.11687	0.9
220.12497	1.4
221.13197	2.0
224.29459	0.7
227.14143	0.7
235.14807	5.3
237.16338	1.3
238.15930	1.3
239.14299	0.8
247.14784	2.4
253.16046	0.9
264.17447	3.4
265.15659	0.9
267.17392	3.0
282.18576	2.2
287.05432	2.0
288.05795	4.6
296.20047	3.8
324.19528	55.6
325.19730	3.8
328.18991	2.0
356.22165	45.9
357.22433	4.2
374.23254	8.2
402.26572	9.8
416.24216	9.0
434.24756	100.0
435.24915	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	434.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34113	0.7
55.05500	0.9
56.05023	1.5
57.58587	0.6
58.06591	4.8
67.05503	1.5
68.53550	0.7
70.06580	2.7
71.05009	1.7
71.44017	0.7
72.08141	1.3
79.05494	2.6
81.07044	1.6
82.06570	2.4
84.08133	1.1
85.02909	0.8
85.06532	0.9
91.05470	3.7
93.07043	2.8
94.06551	1.0
95.04957	0.9
95.08594	1.6
96.08099	4.4
97.02901	2.4
98.09680	2.0
103.05429	1.2
105.07020	7.0
107.04931	1.0
107.08578	1.3
108.08118	0.7
109.06521	1.4
109.10111	1.0
110.09688	1.4
110.14725	0.7
116.69907	0.7
117.07008	2.2
119.08549	1.6
120.08087	1.2
121.06466	1.7
122.09661	1.1
123.08086	1.2
128.06201	0.9
129.06984	2.2
130.77237	0.6
131.08539	2.9
133.10130	2.7
135.08067	2.5
141.06992	1.5
143.08542	2.6
144.08075	1.5
145.06485	0.8
145.10133	2.4
148.07516	1.2
154.07664	0.9
155.08565	3.5
156.08153	0.8
157.10149	2.7
158.09648	1.0
159.11671	0.8
165.07050	1.5
166.07776	1.0
167.07162	1.5
167.08598	2.1
169.10114	1.9
171.11681	1.3
178.07738	0.8
179.08562	2.8
180.09335	1.5
181.08740	0.7
181.10101	2.4
182.09610	0.9
183.11720	1.9
192.09380	1.6
193.10117	3.3
194.10904	0.8
195.11737	1.4
201.14886	0.7
204.09393	0.7
205.10144	3.3
207.11638	2.2
209.09688	0.9
209.13319	1.9
217.10123	1.6
218.10912	1.2
219.11687	0.9
220.12497	1.4
221.13197	2.0
224.29459	0.7
227.14143	0.7
235.14807	5.3
237.16338	1.3
238.15930	1.3
239.14299	0.8
247.14784	2.4
253.16046	0.9
264.17447	3.4
265.15659	0.9
267.17392	3.0
282.18576	2.2
287.05432	2.0
288.05795	4.6
296.20047	3.8
324.19528	55.6
325.19730	3.8
328.18991	2.0
356.22165	45.9
357.22433	4.2
374.23254	8.2
402.26572	9.8
416.24216	9.0
434.24756	100.0
435.24915	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	434.2896
Annotation	Aspochalasin K
Peak:m/z	Relative Intensity
55.05487	0.9
56.05028	2.1
58.06592	9.8
62.18956	0.3
65.03930	0.3
67.05483	0.9
69.05816	0.3
69.07063	0.3
69.27201	0.5
69.27608	0.9
70.06612	0.3
71.04965	0.3
72.08154	2.4
79.05469	1.7
81.07038	1.2
82.06564	0.9
83.08586	0.3
84.08134	1.8
85.02869	0.7
85.06535	0.3
91.05459	2.3
93.07010	1.6
95.04963	0.5
95.08594	0.8
96.08128	0.4
96.89300	0.2
98.09671	4.4
100.11246	1.0
103.05482	0.5
105.07009	2.6
107.04951	0.8
107.08598	0.9
109.06535	0.5
110.09667	2.2
117.06991	1.1
119.08554	1.2
121.06480	0.5
122.09650	0.6
124.11218	2.8
125.11983	0.3
126.12770	0.3
128.06230	0.5
129.07005	1.3
131.08598	1.3
133.06429	0.4
133.10135	0.9
135.08032	0.9
137.05968	0.9
141.06982	0.6
143.08562	2.6
145.06490	0.4
145.10066	1.9
147.08133	0.3
147.11710	0.5
153.07031	0.3
155.08559	1.1
157.06444	0.3
157.10106	1.1
157.22562	0.3
159.11803	0.6
165.07071	0.4
167.07072	0.6
167.08505	0.8
168.36720	0.3
169.10120	1.1
171.11681	1.0
173.13138	0.3
179.08554	0.4
181.10144	1.1
182.15437	0.9
183.11688	0.8
185.09671	0.5
185.13242	0.6
193.10123	0.7
195.11664	0.5
197.13318	0.3
199.14857	0.6
205.10243	0.3
207.11723	0.4
209.13269	0.7
209.16556	0.6
210.14894	1.0
223.14758	0.4
225.16515	0.3
226.19179	0.6
227.14268	0.8
232.12468	0.4
233.07939	0.7
237.16356	0.6
241.15852	0.6
247.14723	0.5
249.16458	0.6
265.15945	0.5
267.17590	0.6
281.18912	0.5
292.20718	0.5
310.21655	0.7
324.23145	1.6
336.22763	0.4
342.24097	1.4
352.22665	0.6
356.22281	0.5
370.23792	1.6
374.22983	0.7
384.25330	1.3
402.26331	29.9
403.26602	2.6
417.15405	1.0
434.28967	100.0
435.29071	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	435.1645
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
57.36794	1.6
59.53156	1.4
65.03924	5.3
67.05482	3.2
69.07034	1.6
77.03917	1.7
78.04678	1.8
79.05471	12.0
81.03410	2.5
82.04193	2.0
85.02894	4.5
85.99789	1.5
91.05478	5.8
93.03402	2.0
95.04954	5.9
103.05425	1.9
105.07028	4.5
107.04942	23.5
108.02128	1.4
110.03662	2.3
115.05415	9.6
116.06254	1.3
117.07033	10.6
118.45254	1.4
123.04414	2.1
124.05184	5.3
125.05992	2.7
127.03805	1.6
128.06178	1.9
129.04448	1.6
129.07008	3.3
131.04898	2.7
131.08540	2.7
133.06458	5.6
143.04936	1.8
144.05690	5.9
145.06467	23.4
147.04398	2.5
147.08026	2.3
152.04626	2.7
153.05486	3.5
155.04890	2.4
155.06029	5.3
157.06436	4.3
159.04375	2.0
159.08038	2.9
161.05972	16.4
167.07021	72.9
169.13156	1.4
171.06506	5.0
172.05136	9.6
173.05975	11.9
175.07516	4.0
181.04933	62.9
185.06010	2.5
187.07550	5.0
189.05434	10.0
189.06889	1.6
190.06209	8.6
191.06900	2.4
200.04643	4.1
201.05415	10.4
203.06975	3.0
205.08521	13.6
206.05727	5.3
207.06427	2.6
207.08266	1.5
207.10144	3.9
213.05339	2.5
217.08568	4.9
218.05722	14.9
219.06421	6.4
219.10085	2.2
221.08046	19.9
224.04652	1.9
231.06398	2.3
233.08041	100.0
234.08559	2.7
235.07553	2.7
235.09650	6.1
245.07991	4.9
247.07478	2.2
251.09184	11.3
263.06894	2.5
263.09174	15.8
264.07718	3.3
265.08362	2.1
270.05072	2.3
279.06516	1.5
279.10049	2.5
280.06992	2.1
287.05399	2.2
289.06046	6.5
292.07156	2.1
295.09781	2.0
297.07501	2.0
307.09665	3.5
323.08945	3.0
324.09741	2.0
325.10565	2.2
331.07941	7.9
335.09204	1.8
337.10535	2.3
339.12173	3.4
346.10318	3.1
351.08444	1.9
355.11768	3.6
367.11780	7.1
371.15009	2.0
372.12296	1.6
373.12820	2.3
387.14288	7.0
399.14444	7.0
405.15631	3.0
417.15384	98.8
418.15829	7.0
434.29684	1.5
435.15912	2.1
436.26846	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.0
57.03434	1.7
57.07064	4.1
59.04986	2.0
65.03939	1.9
65.92297	1.3
67.05495	8.0
69.03408	2.7
69.07058	2.8
70.06559	1.4
71.04988	3.7
72.39262	1.2
79.05472	7.2
81.07047	14.1
83.04978	1.7
83.08627	1.7
85.06516	2.0
91.05466	11.3
93.07031	14.9
95.04950	6.6
95.08598	9.9
98.98443	5.8
105.07024	17.9
107.08576	9.2
109.06505	100.0
109.10143	3.7
110.06834	2.6
111.08057	3.9
115.05448	1.5
117.07001	6.8
119.08556	14.4
121.06521	1.6
121.10111	5.5
123.08044	12.4
128.06187	3.3
129.06984	3.1
131.08569	9.0
131.10547	1.4
133.10092	8.9
135.08037	6.3
135.11688	2.9
137.09613	2.1
141.06956	1.4
142.07759	4.4
143.08533	9.7
145.10124	8.3
147.08057	4.3
147.11687	3.0
149.09575	3.1
149.13083	1.2
151.07530	13.3
153.09062	2.6
155.01022	1.9
155.08559	5.4
156.09351	2.3
157.10117	9.3
159.11700	3.5
161.09648	2.0
161.13266	1.5
163.11139	2.9
165.06999	1.8
165.09163	4.6
167.08556	2.7
168.09338	2.8
169.10075	6.4
171.11687	4.9
172.85703	1.3
173.09503	2.4
173.13239	2.2
175.11237	2.6
179.08578	2.4
180.09366	1.4
181.10115	2.0
181.12225	1.6
182.10817	1.6
183.11719	7.0
185.13219	2.8
187.11244	1.7
189.12737	4.9
191.14326	2.0
193.10030	1.7
195.11642	3.3
197.13234	5.3
199.11168	1.5
201.12700	2.2
203.14304	2.6
207.11821	2.5
207.13776	6.1
208.12547	1.5
209.13246	3.4
209.15315	2.5
211.14902	2.0
213.16389	1.3
215.14279	2.3
221.15262	6.1
225.16397	1.5
227.14323	4.6
233.15302	1.7
244.49600	1.3
255.17404	4.8
286.19196	3.8
297.76923	1.3
299.25702	1.9
312.20834	1.8
313.32980	1.4
337.27283	3.3
343.22681	2.4
377.24768	1.4
417.27737	3.6
435.28989	17.8
436.29507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49475	1.2
56.96560	1.4
57.03427	5.7
57.56059	1.4
58.06589	20.9
65.45206	1.3
69.03410	18.2
69.70927	1.3
70.06586	2.9
72.08137	5.1
73.02906	5.1
77.66521	1.3
81.03394	2.5
82.06570	1.4
84.08123	2.5
85.02893	22.3
87.04441	9.8
91.05463	2.0
93.07006	1.7
95.04921	2.2
97.02871	23.2
98.09686	4.3
105.07005	2.9
107.04913	7.0
107.84123	1.5
108.08059	1.6
109.02839	2.5
111.04434	2.6
112.07594	2.0
112.32437	1.2
115.03909	15.2
117.06993	3.2
118.98842	1.2
120.08073	1.6
127.03894	3.6
131.08577	2.0
133.04979	10.0
136.26299	1.5
137.02278	2.2
137.05885	1.6
139.03877	1.5
143.08620	1.6
144.22314	1.4
145.04950	6.0
150.07610	5.8
153.20715	1.4
155.03377	5.7
155.08511	2.2
157.04927	2.4
197.09547	1.8
211.05983	2.9
229.07002	2.4
247.08047	3.2
265.09195	1.7
291.93951	1.3
297.11353	1.5
312.23413	1.3
313.64157	1.3
358.23758	2.5
376.24698	5.6
400.24957	2.5
404.20404	4.1
404.24744	3.6
418.25970	23.4
436.14291	2.5
436.21918	5.9
436.27493	100.0
437.13852	2.7
437.27225	6.3
456.15625	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2326
Annotation	Arg Asn Phe
Peak:m/z	Relative Intensity
50.37549	0.6
56.05018	3.2
58.06602	6.0
67.05461	1.0
69.33665	2.8
72.08113	1.3
79.05458	1.3
84.08083	0.9
91.05447	0.7
102.09113	0.6
105.06981	1.2
107.04942	0.7
108.08115	5.1
116.70681	0.6
117.06948	1.1
118.97996	0.6
122.09575	1.9
124.11157	1.4
129.06882	0.6
131.08490	1.5
133.06407	0.9
143.08499	1.4
152.10600	0.8
154.12263	4.0
155.08423	1.7
159.07983	0.8
169.06421	1.1
169.10109	0.7
178.12122	0.7
181.10132	0.6
191.08371	0.8
197.92264	0.6
203.17213	0.7
205.09958	0.6
207.11711	0.8
217.99994	0.6
222.27435	0.6
252.81093	0.6
280.36685	0.6
324.53253	0.7
342.20798	0.6
358.22607	1.9
372.27997	0.6
374.22903	1.4
376.23947	0.9
386.19263	2.5
386.23581	0.8
390.22375	1.5
418.21478	23.3
418.25708	5.0
419.22034	2.3
436.22833	100.0
437.17831	0.7
437.23251	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	436.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	2.1
58.06592	11.3
65.93077	0.3
67.05500	1.2
69.37046	2.1
71.01376	0.4
71.04991	0.5
72.08153	2.5
78.48035	0.4
79.05483	1.1
81.07040	0.5
84.08128	4.4
84.82937	0.3
91.05478	2.7
91.11445	0.3
93.03361	0.4
93.07030	1.5
95.04942	0.7
96.08150	0.5
98.09678	3.7
98.22704	0.8
105.07047	1.1
107.04942	0.4
107.08559	0.4
107.87545	0.3
108.08120	3.6
112.07626	0.5
117.07011	1.4
118.93348	0.3
119.04926	0.6
119.08553	0.9
121.06527	0.4
122.09666	1.8
123.04427	0.4
124.11214	1.5
128.06148	0.4
128.10687	0.6
129.07002	1.6
130.05611	0.4
131.08530	2.3
133.10104	0.9
134.09685	0.6
139.57718	0.4
140.10735	0.5
141.06941	0.9
142.07710	0.5
143.08543	2.0
144.09328	0.3
145.10133	1.1
148.11218	0.4
152.10696	0.5
153.06998	0.4
154.12285	1.3
155.08516	1.3
157.10097	1.5
164.50465	0.4
167.08516	1.2
168.09033	0.5
169.10147	1.3
171.11693	1.0
179.08585	0.7
181.10162	1.1
183.11743	1.1
193.10068	0.9
195.11705	0.6
197.13361	0.5
203.08424	0.4
204.09161	0.5
207.11612	0.7
209.13260	0.9
219.11636	0.5
225.12839	0.4
251.14186	0.5
312.19455	0.5
331.66992	0.4
344.22165	0.5
354.20761	0.4
358.23755	1.0
372.21823	0.9
376.24905	0.7
386.23285	0.8
390.22702	0.7
400.24887	1.2
404.24261	4.0
405.24353	0.4
406.88199	0.4
418.25803	21.1
419.25986	2.2
436.26898	100.0
437.27271	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	436.269
Annotation	Delelatine
Peak:m/z	Relative Intensity
56.05024	1.0
58.06593	10.9
67.05493	1.0
70.16736	0.8
72.08149	1.5
79.05488	2.0
81.07047	0.8
84.08137	1.8
85.02913	0.7
85.06509	0.4
85.42391	0.3
86.09688	0.5
91.05470	2.8
93.07031	1.6
95.04974	1.0
96.08124	0.9
98.09673	3.3
105.07011	2.5
107.04925	0.8
107.08587	0.6
108.08081	2.3
110.09660	1.0
114.09154	0.5
117.06999	1.4
119.08589	0.6
121.06467	0.5
122.09669	1.5
123.08048	0.4
124.07601	0.7
124.11198	1.7
125.09596	0.6
126.09151	0.6
128.06264	0.6
129.06992	1.2
131.08566	1.6
133.10062	0.6
136.01575	0.4
137.05928	0.5
140.10696	1.1
141.07008	0.9
143.08537	1.7
145.10106	1.4
155.08559	1.3
157.10152	1.1
159.08003	0.4
159.11650	0.5
162.55908	0.3
165.07097	0.4
167.08582	0.7
168.09338	0.4
169.10130	1.3
173.09523	0.4
178.07747	0.4
179.08612	0.8
181.10100	1.0
183.11661	1.1
193.10149	0.8
195.11594	0.5
197.13222	0.6
205.10054	0.5
207.11731	0.7
209.13237	0.6
211.11414	0.4
217.10275	0.5
231.77745	0.4
233.13188	0.8
235.14790	0.5
251.14256	0.6
253.15842	0.5
265.15988	0.5
273.15979	0.4
326.21124	0.7
340.22733	1.0
358.23672	2.4
360.05087	0.3
376.25012	0.8
379.15933	0.4
386.23212	1.3
400.24692	1.9
404.24384	1.8
418.25821	22.5
419.26270	2.1
436.26907	100.0
437.27258	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	436.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08641	0.4
56.05013	1.2
58.06592	8.5
67.05480	0.7
69.63376	1.0
69.63708	0.5
70.06592	0.5
72.08142	1.1
74.09808	0.4
79.05479	1.4
81.07040	0.6
82.06554	0.5
84.08109	2.1
85.02881	0.8
86.09676	0.4
88.07612	0.6
90.42492	0.4
91.05456	1.8
93.07022	0.9
94.06596	0.3
94.90085	0.4
95.08633	0.4
98.09678	1.9
105.07021	1.7
107.04941	1.2
107.08578	0.5
108.14879	0.4
108.62885	0.4
112.35764	0.4
117.07032	0.7
119.04960	0.4
119.08570	0.9
121.06506	0.6
122.09658	2.1
124.11205	4.2
128.06247	0.4
129.07013	1.2
131.08539	1.4
133.10118	0.4
135.08055	1.1
137.05940	0.6
140.10661	0.6
141.06973	0.8
143.08557	1.6
145.10098	1.1
155.08554	1.7
157.10139	0.8
160.11177	0.6
162.12712	0.6
167.08525	0.4
169.10127	1.0
171.11728	0.5
177.61215	0.4
179.08559	0.8
181.10130	1.0
183.11598	0.5
192.09326	0.6
193.10043	0.8
194.10796	0.4
195.11757	0.5
199.11171	0.4
204.89551	0.4
205.10130	0.5
207.11649	0.6
209.13266	0.5
218.10896	0.7
223.14740	0.4
225.12712	0.5
229.56303	0.4
233.13338	0.9
265.15579	0.4
289.12186	0.4
308.19916	0.5
340.22824	0.8
342.20721	0.4
358.23996	0.8
368.22220	0.7
374.23148	1.4
376.24713	0.5
386.23505	0.6
400.24817	5.0
401.25009	0.5
404.24121	0.8
418.25778	16.6
419.26099	1.7
436.26904	100.0
437.27213	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	436.2689
Annotation	Anthriscifolcine B
Peak:m/z	Relative Intensity
56.05024	1.9
58.06596	9.6
64.99799	0.3
67.05500	1.1
70.81558	0.5
71.04999	0.5
72.08154	2.4
73.34454	0.4
73.94132	0.4
79.05485	1.0
81.07053	0.7
84.08133	3.5
91.05477	2.5
93.07023	0.9
95.04983	0.7
95.08606	0.4
96.08153	0.5
98.09686	4.4
102.09207	0.7
105.07029	1.2
105.96777	0.4
107.04919	0.6
107.08628	0.5
108.08106	3.9
108.45836	0.4
108.75951	0.4
116.58528	0.4
117.07017	0.9
119.08553	1.1
121.06467	0.5
122.09668	1.4
124.11208	1.2
128.06227	0.4
128.10733	0.4
129.07024	1.8
131.08546	1.9
133.10118	0.5
141.07031	1.1
143.08577	1.8
145.10138	0.7
145.98338	0.4
147.08011	0.4
154.12286	2.2
155.08537	2.1
157.10152	1.4
167.08560	1.0
169.10147	1.4
171.08107	0.4
171.11674	0.5
178.07732	0.4
179.08511	1.0
181.10156	1.0
183.11743	0.5
187.11290	0.4
190.94223	0.4
193.10103	0.9
195.11708	1.2
197.13269	0.7
205.09935	0.4
207.11646	0.9
221.13203	0.5
225.12695	0.7
233.13223	0.4
235.14751	0.7
237.16396	0.4
251.14372	0.6
289.12250	0.4
298.18112	0.5
308.20270	0.7
312.19431	0.5
326.21344	0.6
340.22852	0.8
358.23917	0.8
372.21719	0.9
376.24954	0.6
386.23114	0.7
390.22662	0.6
400.24860	2.2
404.24326	3.9
418.25830	22.4
419.26025	2.0
436.26923	100.0
437.27237	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	437.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77042	0.6
54.18811	0.5
56.04985	0.7
56.90371	0.7
56.96555	16.0
58.06590	2.8
69.48332	2.7
84.96030	5.8
98.97570	56.2
99.97992	0.6
100.99136	3.0
110.97562	17.2
112.99122	4.8
116.98611	18.2
119.00165	3.8
124.99139	1.7
128.98599	14.2
131.00166	2.7
134.99631	2.5
140.98590	4.3
143.00130	7.3
143.01863	0.6
144.98085	2.3
146.99637	4.5
149.01161	1.1
152.98575	6.9
155.01906	0.9
158.99632	15.7
161.01208	12.5
162.99089	1.4
170.99609	7.2
172.54729	0.7
173.01302	0.8
173.02940	0.6
177.00681	12.5
179.02246	3.2
186.99095	3.0
189.00639	3.2
195.01717	1.0
197.01122	1.3
201.00656	5.0
203.02254	3.8
205.00134	1.3
207.01804	1.0
215.02269	2.6
219.01735	36.5
220.02075	1.0
221.03323	1.8
237.02780	44.8
238.03160	1.3
245.03278	0.7
248.99075	0.8
255.03853	2.7
263.04349	31.4
264.04706	1.0
275.02515	0.7
281.05408	100.0
282.05670	3.0
301.42737	0.6
304.06870	1.6
330.99655	0.9
375.05914	6.9
376.24866	0.7
377.12881	0.7
393.07004	1.5
419.04910	16.6
420.04868	0.9
420.23843	0.9
436.27112	5.6
437.05600	4.8
437.09882	1.0
437.14407	2.0
437.27585	3.5
438.25177	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	437.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52561	0.2
51.14100	0.2
56.96555	17.0
57.48826	0.3
58.06586	0.6
65.95214	0.3
68.96542	0.2
69.03415	0.3
74.97611	0.5
84.08134	0.7
84.96026	5.7
84.96498	0.2
85.02891	0.7
97.02854	0.6
98.97565	55.7
99.97883	0.5
100.99117	2.8
102.97034	0.5
107.04931	0.3
108.08100	0.2
109.02884	0.3
110.97550	15.0
111.97896	0.3
112.99116	4.3
115.00618	0.3
116.98602	21.8
119.00160	4.6
119.03651	0.2
121.01592	0.3
122.97530	0.2
124.99095	1.7
126.97005	0.8
128.98586	14.2
131.00154	4.8
133.01651	0.5
134.99634	5.5
136.99109	0.3
137.01140	1.3
139.00621	0.3
140.00125	0.2
140.10617	0.3
140.98557	3.6
143.00134	6.6
143.08424	0.3
144.98085	2.4
145.01707	0.5
145.03442	0.2
145.04956	0.2
146.99623	7.7
147.03192	0.2
149.01215	2.0
152.98566	5.4
153.00562	0.3
157.01645	0.5
158.99628	15.5
160.00063	0.4
161.01187	11.9
161.04788	0.4
162.01567	0.4
162.99132	1.9
163.02727	0.7
165.00703	1.1
168.98047	0.5
170.99623	7.7
173.01202	1.4
173.02672	0.3
173.04787	0.4
175.02773	0.9
177.00677	12.8
179.00797	0.3
179.02249	3.3
182.99577	0.6
185.01135	0.4
186.99016	1.6
187.02721	0.5
189.00684	5.2
191.02266	0.6
193.00278	0.3
193.03723	0.3
195.01784	1.6
197.01199	1.9
201.00627	4.5
201.06036	0.3
203.02190	3.4
205.00175	1.7
205.03864	0.6
207.01776	0.9
215.02199	2.3
219.01727	35.0
220.02087	0.8
221.03316	1.6
223.04767	0.6
230.98019	0.8
233.03441	0.4
234.05116	0.2
237.02773	51.6
238.03127	1.6
242.03349	0.4
248.99168	1.4
255.03833	2.8
260.04407	0.3
263.04333	34.2
264.04724	1.2
275.13815	0.3
279.03763	0.4
279.09222	0.3
281.05392	100.0
282.05710	3.3
291.09494	0.2
295.07007	0.6
299.06308	0.4
304.06961	1.5
307.06702	0.3
350.13681	0.3
358.99326	0.6
375.05914	7.0
376.06274	0.5
393.06973	1.0
395.08603	0.3
419.04865	14.9
420.05200	1.0
420.19302	1.1
437.05817	7.1
437.10651	1.8
437.16528	0.4
438.06268	0.5
438.20523	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	438.1942
Annotation	Latrunculone B
Peak:m/z	Relative Intensity
50.41241	0.4
51.83759	0.4
52.58628	0.3
52.67028	0.4
55.05467	0.6
55.57765	0.4
56.04977	1.7
58.06539	4.3
67.05443	0.8
68.71277	0.4
69.60499	1.5
70.72425	0.4
72.08094	1.5
74.39809	0.4
79.05418	1.5
81.06991	1.3
84.08105	1.0
91.05476	2.3
92.50754	0.4
93.07004	0.9
95.04911	0.5
95.08575	0.8
98.09614	1.9
98.23438	0.6
104.45050	0.5
105.07012	3.4
108.08082	0.6
110.09602	1.6
117.07007	2.0
119.08511	1.3
122.09584	0.6
129.06941	1.3
131.08540	3.6
133.10042	1.4
141.06927	0.9
143.08537	2.0
145.10078	2.3
147.11629	1.3
153.05428	0.4
155.08478	1.2
157.10011	1.1
159.11609	1.4
165.06880	0.5
167.08492	1.0
169.10023	1.6
171.11697	2.6
173.11841	0.5
173.13229	6.0
179.08418	1.0
181.10056	0.7
183.11641	0.6
188.14108	0.5
190.15863	0.4
193.10068	0.8
195.11636	1.3
205.10042	0.7
207.11526	0.9
219.11565	0.6
221.13083	0.7
223.14586	0.5
235.14633	0.8
293.03073	0.4
302.85144	0.4
322.21591	18.1
323.21942	1.4
340.22665	100.0
341.22940	6.9
358.23715	29.7
359.24203	2.1
406.26706	0.5
420.18442	3.9
420.23526	0.8
438.19434	83.2
438.24701	6.8
439.19791	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	438.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	7.1
67.05505	1.9
69.07056	8.7
70.93489	2.1
71.04984	1.4
72.08150	4.1
79.05476	1.6
81.07037	4.0
83.77879	1.4
91.05459	1.7
93.06993	1.6
104.22805	1.2
105.07056	1.3
108.08100	2.7
115.44505	1.1
117.06999	2.3
129.06969	1.7
138.88051	1.2
145.10126	1.5
154.12231	5.1
155.08554	2.5
191.08470	1.7
195.09740	1.3
207.08012	2.8
218.07387	2.0
219.08102	4.6
220.08791	3.9
221.09502	1.8
223.11163	1.7
233.09625	4.5
235.07564	8.5
236.08260	5.9
237.09117	1.4
247.07562	10.2
249.08987	1.7
250.09746	2.0
251.10727	7.0
255.13811	1.5
262.09875	24.2
263.07019	12.3
263.10043	3.9
264.07663	1.9
267.10132	1.5
268.10770	1.6
278.09311	20.7
278.11713	2.2
279.10101	18.2
281.11670	4.1
293.11676	100.0
294.12433	34.7
295.09610	15.4
298.12277	1.3
310.11771	6.6
310.14676	31.2
311.14731	2.0
325.14301	15.3
356.22177	2.7
361.17923	3.7
362.23184	1.4
368.14529	1.5
371.16385	1.5
388.24759	5.8
406.19965	5.1
406.25769	4.8
420.27319	9.3
438.28497	88.5
439.28796	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	438.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.3
58.06593	6.5
59.05001	0.4
61.02930	0.9
67.05476	0.5
69.48428	1.7
70.74455	0.4
71.04988	1.1
72.08148	3.8
76.19412	0.4
79.05490	0.9
81.07049	0.4
82.06589	0.4
84.08141	1.4
85.06563	0.5
91.05473	1.8
93.07032	0.7
95.04980	0.8
95.65151	0.3
96.08119	0.4
98.09703	0.7
102.09157	2.6
105.07051	1.3
106.06567	0.4
107.04949	0.6
107.17148	0.3
108.08097	4.0
109.06523	0.6
110.09738	0.4
114.09169	0.4
117.07034	1.5
119.08590	0.5
119.80721	0.4
121.06467	0.4
122.09641	2.2
123.04423	0.9
124.11238	1.6
127.14110	0.4
128.06206	0.7
129.07013	1.6
131.08575	1.7
134.09613	0.4
137.06007	0.9
141.07001	1.2
143.08598	1.0
147.92935	0.4
152.10727	1.2
154.12239	4.5
155.08598	1.2
157.10162	1.2
160.11227	0.4
165.07024	0.5
166.07845	0.4
167.08580	1.6
169.10135	0.8
173.09772	0.5
174.12869	0.7
179.08643	1.3
181.10161	1.7
183.11739	0.6
185.09593	0.5
186.12756	0.5
188.14345	0.4
193.10199	1.3
195.11662	0.7
197.13278	0.5
205.10229	0.7
207.11696	1.2
217.10243	0.5
223.11348	0.5
231.11783	0.5
251.14328	0.8
267.13788	0.4
273.14951	0.4
299.90356	0.4
306.18546	0.4
324.19696	1.0
342.20673	0.8
356.22134	3.8
360.21707	0.9
362.23370	1.8
370.23810	1.5
374.22998	2.5
388.24789	7.6
388.29431	0.6
389.25232	0.9
392.24457	1.1
402.26904	0.5
406.25784	0.8
420.22202	0.7
420.27496	14.5
421.27948	1.2
438.28607	100.0
439.28918	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	438.2846
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
53.23260	0.3
54.00550	0.4
56.05021	1.6
58.06595	5.8
61.02918	1.1
64.81618	0.4
65.82934	0.3
67.05528	0.4
69.71168	1.4
71.04974	1.7
72.08145	3.1
79.05475	0.5
81.07050	0.7
81.13608	0.4
82.06572	0.6
84.08111	0.6
91.05461	1.4
93.07030	0.6
96.08086	0.6
96.77441	0.4
98.09680	0.7
98.23376	0.7
102.09185	2.7
105.07003	1.2
107.04919	0.5
108.08095	4.2
114.09140	0.5
117.07014	1.2
121.06451	0.5
122.09651	2.6
123.04411	0.6
124.11211	1.7
128.06166	0.6
129.07005	1.4
131.08571	1.1
134.09700	0.4
137.05898	0.5
141.06911	0.7
143.08560	0.8
145.06490	0.5
145.10107	0.7
152.10629	0.7
152.45984	0.4
153.06908	0.4
154.07782	0.7
154.12248	5.6
155.08563	1.0
157.10136	0.9
157.58725	0.4
161.09578	0.5
167.08554	1.1
169.10117	1.1
172.11195	0.5
174.12836	0.7
179.08537	0.8
181.10121	1.5
183.11668	0.7
186.12714	0.8
188.14227	0.5
192.09306	0.5
193.10097	1.2
195.11649	0.8
197.09627	0.7
200.14394	0.6
205.10213	0.9
207.11667	0.8
210.12755	0.4
212.14256	0.6
220.17371	0.4
221.13091	0.6
223.11127	0.4
231.11638	0.4
241.12244	0.5
324.19760	0.6
328.19019	0.6
356.22229	4.2
360.21606	0.9
362.23218	1.6
370.23621	1.8
388.24820	6.5
389.24948	0.6
402.26532	0.5
406.25571	0.7
420.27393	14.3
421.27664	0.6
438.28439	100.0
439.28775	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	438.2848
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
56.05026	1.0
58.06593	16.9
59.06931	0.3
61.02911	0.5
66.81579	0.3
67.05491	0.7
69.55933	1.3
71.01341	0.4
71.04994	1.1
72.06281	0.3
72.08137	2.3
75.21970	0.3
79.05485	1.0
84.08130	1.6
86.16196	0.3
91.05464	1.5
93.03413	0.4
93.07072	0.6
95.04985	0.9
95.51064	0.3
98.09691	1.7
102.09173	0.6
105.07045	0.9
107.04929	3.5
108.08102	3.4
108.17678	0.3
109.06522	0.5
110.09736	0.4
117.07030	0.7
119.08611	0.6
121.02879	0.5
122.09657	0.8
123.04392	0.4
124.11238	0.6
125.05995	0.3
125.98399	0.3
128.06236	0.4
128.10684	0.6
128.28860	0.3
129.07002	1.1
131.08585	1.0
134.09593	0.3
137.09596	0.3
140.10756	0.5
141.07016	1.0
143.08556	0.9
145.06403	0.4
145.10150	0.9
147.08040	0.7
152.10703	0.6
153.07082	0.4
154.12225	0.5
155.08583	1.1
157.10153	1.0
159.08047	0.5
161.09593	0.4
165.06973	0.8
166.07759	0.5
167.08572	0.9
169.10153	0.9
171.08122	0.4
173.09686	0.6
174.12807	0.6
179.08597	0.8
180.09357	0.5
181.10179	1.0
185.09743	0.4
193.10164	1.1
195.11664	0.6
197.13272	0.6
205.10164	0.6
206.15500	0.3
207.11781	0.8
209.09499	0.5
209.13412	0.3
211.11209	0.5
219.11574	0.4
221.13394	1.0
223.11148	0.5
225.12962	0.3
239.14325	0.6
249.12788	1.0
257.86798	0.3
267.13803	0.9
272.16299	0.3
283.16711	0.3
324.19397	0.3
328.19141	0.4
354.19839	0.4
356.21951	1.7
374.23206	1.6
388.24792	2.9
397.84442	0.3
406.25787	17.2
407.26202	1.1
420.23557	2.0
438.28564	100.0
439.28931	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	438.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09152	0.4
52.95229	0.5
56.05022	0.9
58.06331	0.8
58.06595	9.6
61.02915	0.6
67.05499	0.8
69.56724	1.3
70.06557	0.5
71.01363	0.5
71.04990	1.0
71.90112	0.4
72.08140	2.1
76.47047	0.5
79.05457	0.8
79.34439	0.4
80.38246	0.4
81.07019	0.5
83.11120	0.4
84.08127	0.9
91.05482	1.7
93.07029	0.4
96.08125	0.5
98.09695	1.2
102.09172	1.0
105.07024	0.6
107.04929	0.8
108.08110	3.3
109.06448	0.5
110.09644	0.7
117.07022	0.8
119.04938	0.6
122.09649	3.6
123.04429	0.7
124.11233	1.6
128.06236	0.7
128.10744	0.6
129.06984	1.1
131.08536	1.6
137.05992	0.7
140.10686	0.6
141.06996	0.8
143.08565	1.6
145.10127	0.6
152.10699	1.3
154.12250	7.7
155.08516	1.2
157.10165	1.2
161.09563	0.5
165.06985	0.9
167.08513	1.1
168.99962	0.5
169.10190	0.7
174.12778	1.2
179.08537	1.0
181.10175	1.6
183.11697	0.5
185.09602	0.6
186.12897	0.8
187.13562	0.7
188.14328	0.6
193.10095	0.9
193.19937	0.4
195.11687	0.6
207.11604	0.6
219.16234	0.7
221.13281	0.8
223.11377	0.5
324.19586	0.8
328.19046	0.8
356.22150	4.1
362.23224	1.4
370.23734	1.3
374.23615	0.5
388.19662	0.7
388.24734	15.3
389.25046	1.6
406.25790	6.5
407.26056	1.0
420.27359	3.0
438.28473	100.0
439.28772	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2842
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
56.05026	1.3
58.06326	0.4
58.06591	4.9
59.04978	0.3
61.02908	0.8
67.05482	0.7
71.02168	0.3
71.04991	1.5
72.08141	3.0
75.04464	0.3
79.05476	0.9
80.05009	0.4
81.07043	0.4
84.08131	1.2
85.06539	0.3
89.02961	0.3
91.05455	1.6
93.07023	0.7
95.04946	0.5
96.08113	0.5
98.09686	0.9
102.09171	2.2
105.07018	1.0
105.53425	0.2
107.04932	0.4
108.08102	4.1
109.06515	0.6
114.09132	0.2
117.07014	1.2
119.04910	0.4
119.08598	0.3
121.06501	0.5
122.09656	2.1
123.04404	0.7
124.11177	1.4
128.06216	0.6
128.10649	0.6
129.07028	1.5
131.08549	1.4
133.10066	0.3
137.05960	0.9
141.06975	1.1
142.07817	0.4
143.08559	1.6
145.10080	0.3
147.08008	0.4
148.11197	0.3
152.10710	0.6
153.06947	0.3
154.07774	0.4
154.12238	4.5
155.08543	1.0
157.06627	0.3
157.10089	0.8
161.09644	0.3
165.07001	0.7
167.08536	1.0
169.10109	0.9
171.11679	0.4
172.11218	0.4
174.12799	0.9
178.07857	0.4
179.08476	1.3
180.09280	0.4
181.10052	1.3
183.11665	0.7
185.09575	0.3
186.12703	0.5
187.11180	0.3
191.08508	0.3
192.09253	0.4
193.10126	1.0
195.11697	0.7
203.08530	0.4
205.10056	0.4
207.11725	0.6
214.16014	0.3
216.09108	0.3
217.73772	0.3
219.11745	0.3
221.13243	0.4
223.11078	0.3
249.12700	0.4
266.15152	0.2
324.19452	0.6
328.19003	0.7
338.21118	0.5
342.20578	0.4
356.22092	2.8
360.21490	0.3
362.23303	1.4
370.23605	1.4
388.24741	6.0
402.26291	0.7
406.25546	0.4
420.27368	10.8
421.27710	0.9
438.28424	100.0
439.22797	0.2
439.28705	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	438.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	0.9
58.06593	15.2
58.25684	0.4
60.08132	0.5
61.02920	0.7
67.05487	0.7
69.03423	0.4
69.10560	2.4
70.06579	0.8
71.04976	1.4
72.08147	8.8
78.69621	0.4
79.05489	0.9
81.07011	0.5
82.06595	0.4
84.08128	3.2
88.07626	0.7
91.05456	2.2
93.07024	1.1
95.04954	0.7
96.08114	1.4
98.09677	9.4
98.22710	0.9
98.24809	0.4
100.11220	0.6
102.09159	2.2
105.07030	0.8
107.04961	0.4
108.08085	0.8
112.07604	0.6
117.07003	1.0
118.69501	0.4
119.08546	0.5
119.80481	0.4
121.06469	0.7
122.09679	0.8
123.04420	1.0
129.06993	1.7
131.08559	1.2
133.74661	0.5
135.07970	0.5
135.44014	0.4
136.11203	0.4
137.06001	1.4
141.07014	1.0
142.07713	0.6
143.08571	1.4
145.06451	0.6
145.10063	0.4
147.07991	0.8
152.10696	0.8
153.06972	0.6
154.12338	0.7
155.06039	0.5
155.08583	1.3
157.06297	0.6
157.10155	1.2
159.08096	1.0
159.65787	0.4
165.07037	0.8
167.08537	1.2
169.10152	1.0
171.08067	0.7
173.09624	1.1
178.07759	0.6
179.08559	1.0
179.64230	0.4
180.09222	0.6
181.10144	1.4
183.08000	0.6
183.11786	0.5
185.09685	0.8
187.11240	0.5
193.10153	1.4
195.11775	1.1
197.09637	0.5
199.11116	0.5
202.07846	0.5
205.10185	0.5
207.11736	1.2
211.11232	0.7
219.11809	0.5
221.13293	0.8
225.13026	0.5
228.45596	0.4
237.12672	0.5
239.14302	0.4
249.12746	0.4
281.15341	0.5
299.16595	0.5
304.15707	0.5
308.24707	0.4
324.19635	0.8
342.20544	1.6
356.22076	3.2
374.23203	15.9
375.23703	1.2
388.20966	0.5
388.24899	4.8
406.25821	26.6
407.26346	1.8
420.24127	1.5
438.28543	100.0
439.28885	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	438.2844
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
50.89054	0.4
51.39761	0.5
56.05030	4.2
58.06594	7.1
67.05499	1.0
71.04989	1.5
72.08147	2.9
72.12501	0.5
74.78446	0.5
75.04480	0.9
79.05486	1.9
80.05003	1.0
80.68391	0.5
81.07045	1.2
82.06557	1.0
84.08126	1.0
85.02909	1.8
91.05484	2.3
93.07040	1.6
96.08118	1.6
98.09682	0.6
102.09174	2.2
105.07021	1.9
108.08107	5.6
109.06521	1.1
114.09167	3.1
114.80112	0.5
117.07012	1.5
119.08522	0.9
121.06549	0.6
122.09637	2.4
122.96196	0.5
124.11217	0.9
128.06256	0.9
128.10707	0.6
129.07013	2.3
131.08577	2.4
141.07008	1.5
141.85312	0.4
143.08549	2.4
145.10114	1.0
152.10713	1.3
154.12263	3.4
155.08537	3.1
157.10228	0.7
158.09558	0.6
165.06963	0.9
167.08560	1.8
169.10071	2.4
171.60736	0.5
172.11209	0.6
174.12801	1.7
178.07780	1.1
179.08531	1.4
181.10161	2.0
186.12781	0.6
190.07741	0.5
192.09392	1.2
193.10138	1.5
195.08099	0.5
195.11740	1.2
197.13237	1.0
205.10088	0.7
207.11632	1.3
219.11540	0.6
221.13229	0.8
223.11200	0.5
225.12759	0.6
324.19516	0.9
328.19125	0.8
342.20715	0.5
344.22275	0.9
356.22321	2.1
360.21481	2.7
362.23199	1.2
374.23346	1.7
388.24774	5.3
392.24124	0.8
402.26395	0.7
406.26019	1.8
420.27460	27.6
421.27960	2.1
438.28586	100.0
439.28915	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	438.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.07070	82.3
67.05516	1.9
69.07048	7.7
69.52847	5.8
71.08622	68.3
72.08167	2.0
81.07064	2.7
83.08595	4.0
85.10177	39.1
85.43429	1.6
87.04425	2.9
89.06020	100.0
97.10149	3.1
98.23509	3.3
99.11736	7.7
107.07059	2.6
108.66603	1.7
111.11745	2.2
113.13302	4.1
125.13283	2.4
127.14854	3.6
133.08586	73.8
135.73349	1.7
151.09644	4.4
154.12242	2.4
172.08151	1.7
177.11201	14.2
179.02022	1.8
181.09850	1.8
195.12225	3.0
203.11374	1.6
239.14857	55.1
271.26236	3.5
332.22540	1.8
336.57950	2.0
388.24756	2.2
406.26041	2.2
420.27478	3.2
421.35172	33.5
438.28683	28.1
438.34714	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	8.0
69.26181	1.7
69.26557	1.8
76.03804	0.7
98.97565	67.0
116.98600	34.0
130.93280	1.1
134.99634	10.5
155.08240	0.8
172.94302	3.3
179.43930	0.8
190.95404	3.2
195.64656	0.8
214.95477	3.9
219.02074	1.1
229.15414	0.7
232.96542	7.3
248.94748	0.9
250.97585	4.5
256.96436	19.2
257.97247	0.9
258.99725	4.2
261.02982	7.6
274.97476	100.0
275.97894	2.4
276.98007	0.8
277.00812	4.1
282.99884	0.8
292.98505	44.5
293.98920	1.1
297.99210	1.8
298.97748	8.9
299.09750	1.1
301.00949	1.8
316.98746	13.3
398.97650	4.2
416.98563	11.8
434.99600	1.9
439.28674	1.2
439.67480	0.9
440.19589	2.8
440.98862	8.0
458.99884	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	440.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68416	1.5
64.94932	1.2
71.08624	15.0
81.07005	1.6
95.08562	1.9
99.08076	10.8
107.08623	1.2
134.89131	1.3
146.46503	1.4
154.89136	1.2
160.27255	1.3
191.08582	2.1
199.58099	1.2
207.08058	3.1
219.08038	4.8
220.08774	2.6
233.09572	1.8
235.07516	8.9
236.08299	6.6
237.09047	1.9
239.10695	2.0
246.60129	1.5
247.07527	12.1
247.09801	2.7
248.08113	2.1
249.09047	2.9
250.09836	2.5
251.10661	11.6
262.09891	24.6
263.07031	10.3
263.09839	3.0
264.07510	2.6
267.10150	4.4
278.09329	21.9
278.12131	2.4
279.10071	24.1
280.10312	1.8
281.11621	4.3
293.11664	100.0
294.12399	43.7
295.09595	16.4
295.12634	3.0
310.11707	12.4
310.14789	31.4
325.14285	25.2
390.20605	1.5
408.21664	3.5
415.57809	1.3
440.28604	1.6
440.36807	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.4
55.05494	13.0
56.05020	5.1
57.03432	25.3
59.04974	4.4
60.04512	10.0
61.02915	9.1
62.22853	3.8
67.05478	13.3
69.03421	81.6
69.07058	95.4
71.04952	4.4
73.02899	18.5
79.05470	16.3
81.03403	7.1
81.07034	23.8
83.08613	7.0
84.04494	77.7
85.02892	89.7
85.06560	4.4
87.04455	54.0
89.14585	4.3
91.05460	14.7
93.07020	15.2
95.04961	7.7
95.08592	13.1
97.02873	73.1
97.06483	8.0
99.08096	5.5
102.05534	33.0
105.07017	14.6
107.08562	6.7
109.02863	5.1
109.06488	8.0
109.10162	9.0
111.08043	20.8
111.11690	34.9
115.03917	87.9
119.08568	10.2
123.11678	5.0
127.03888	17.8
127.11163	9.7
129.12729	62.5
130.04990	46.4
131.08546	8.8
133.04941	100.0
133.10126	14.0
138.09131	4.5
139.11160	6.3
141.12750	9.5
145.04933	18.9
145.10049	7.6
147.11644	14.8
148.06018	52.8
149.09557	6.9
150.07590	24.9
163.05951	5.0
171.11661	7.0
175.11087	4.3
183.13869	4.4
189.12860	7.4
189.91492	4.0
197.11758	8.1
207.13751	13.2
212.16422	8.8
219.13725	6.1
225.14876	9.9
237.14850	7.0
255.15884	6.9
273.16916	8.9
275.20120	9.2
281.10321	6.7
291.18018	11.4
336.17694	4.6
380.27902	8.3
440.20364	16.6
440.30075	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	440.2639
Annotation	Parsonsine
Peak:m/z	Relative Intensity
56.05026	1.0
56.96553	0.4
58.06595	5.2
61.02925	0.5
69.47965	1.5
72.08138	1.7
79.05482	1.2
81.07059	0.4
82.06554	0.6
84.08121	2.0
85.76558	0.4
86.09698	0.8
88.07610	0.4
91.05479	1.2
93.07039	0.6
95.04961	0.4
96.08124	1.7
98.97587	1.6
102.09146	0.8
104.55170	0.4
104.58097	0.3
105.07006	0.9
106.97642	0.4
107.04938	7.3
108.08100	3.0
110.09650	0.6
110.97565	0.8
114.09158	0.6
116.98551	0.6
117.06992	1.1
121.02821	0.7
122.09686	0.9
124.11203	0.4
126.09129	1.2
128.06227	0.8
129.06995	1.0
131.08586	1.4
133.06578	0.4
133.28647	0.4
135.04536	0.4
138.09103	0.9
140.10670	1.7
141.06982	0.8
143.08569	1.7
145.06476	0.4
145.10088	0.6
147.08089	0.4
155.08559	0.8
157.10078	0.6
158.99664	0.9
159.08011	0.5
159.10368	0.4
166.07671	0.4
167.08444	0.7
169.10124	0.6
170.99698	0.5
171.08044	0.5
171.11635	0.4
174.12749	0.8
177.00714	0.7
180.09413	0.6
188.14313	0.4
189.00737	0.5
193.10077	0.9
201.00726	1.0
205.10069	0.5
207.11664	0.5
211.11140	0.5
219.11507	0.4
223.11108	0.4
246.14896	0.9
247.11093	0.4
249.12643	0.4
261.02780	1.1
279.03784	1.0
297.72943	0.4
321.04800	0.8
340.18951	0.9
354.20831	0.5
358.20215	0.9
372.21588	2.1
376.21051	0.6
390.22726	2.0
404.24222	1.1
408.23715	6.0
409.24173	0.4
422.25287	13.3
423.25699	0.8
440.26373	100.0
441.26733	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	440.264
Annotation	Parsonsine
Peak:m/z	Relative Intensity
53.45576	0.3
56.05022	0.9
56.96564	1.2
58.06334	0.4
58.06597	5.0
69.25457	1.8
71.05003	0.4
72.08154	1.2
79.05478	1.0
82.06586	0.3
84.08143	1.6
84.96001	0.5
86.09708	0.6
88.07615	0.8
91.05473	1.5
93.07037	0.6
95.04945	0.4
96.08131	1.9
98.09700	0.4
98.97568	9.2
102.09169	0.9
102.34349	0.3
103.05444	0.3
103.79055	0.3
105.07030	0.9
107.04942	5.6
108.08077	2.5
110.97551	2.8
116.98596	3.2
117.07024	1.1
121.02866	0.9
121.06519	0.4
122.09695	0.8
124.99121	0.3
126.09136	0.8
128.06221	0.5
128.98586	2.0
129.06995	1.4
131.08549	1.0
133.06482	0.4
133.10170	0.4
134.99629	0.7
138.09109	0.8
139.36285	0.3
140.10713	0.9
140.98598	0.8
141.06995	0.8
141.82564	0.3
143.00153	1.4
143.08557	0.9
145.06424	0.4
146.09573	0.4
146.99661	0.6
154.12320	0.3
155.08566	1.4
157.06509	0.4
157.10072	0.4
158.99626	4.2
159.08144	0.3
160.11252	0.3
161.01271	0.6
165.06978	0.4
167.08542	1.0
169.10057	0.8
170.99648	2.9
172.11128	0.5
174.12784	0.4
176.10817	0.3
177.00693	2.2
179.08543	0.5
181.10158	0.8
182.99579	2.0
183.08249	0.4
183.11665	0.6
188.14307	0.5
189.00655	2.3
191.08572	0.5
193.10251	0.5
195.08090	0.4
195.11633	0.4
197.09592	0.4
201.00668	5.8
202.12299	0.4
207.01788	0.6
207.11578	0.6
211.11366	0.3
213.00723	0.9
219.01743	3.9
221.09808	0.5
231.01706	0.7
237.02757	1.6
237.12656	0.5
243.01750	2.0
261.02786	8.8
261.05359	0.5
273.02856	0.6
278.13815	0.4
279.03824	5.2
291.03754	1.5
297.04764	0.4
310.17807	0.4
321.04892	3.5
328.19177	0.4
340.18973	0.5
342.20734	0.5
346.20166	0.8
351.06125	0.7
358.20032	1.6
372.21704	1.6
376.21204	1.2
386.23108	0.5
390.22687	2.2
404.24176	1.3
408.23761	9.9
409.23962	0.6
422.25381	7.8
423.25726	0.7
440.26437	100.0
441.09372	1.7
441.26801	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	440.2639
Annotation	Parsonsine
Peak:m/z	Relative Intensity
51.48116	0.4
56.05021	1.8
58.06598	3.6
69.30030	2.3
71.04980	0.6
72.08148	1.8
74.73840	0.4
79.05476	0.9
79.16108	0.4
84.08131	0.9
85.86161	0.4
86.09709	0.8
91.05474	1.1
93.07027	0.6
94.51389	0.4
96.08192	0.4
102.09178	2.8
105.07034	1.1
107.04944	7.0
108.08105	4.3
114.09175	0.5
117.07056	0.9
121.02837	0.9
122.09684	0.8
129.07034	0.8
131.08536	1.4
140.10725	0.4
141.07025	0.6
143.08554	1.2
145.10091	0.7
147.07993	0.4
152.10669	0.6
154.12257	1.1
155.08583	0.5
157.41838	0.5
165.07008	0.9
171.08025	0.4
173.09564	0.5
174.12753	0.7
179.08487	0.4
186.12767	0.6
188.14375	0.9
193.10107	0.6
216.09344	0.5
219.11755	0.5
237.12804	0.6
239.10715	0.6
260.16522	0.8
303.97955	0.5
340.19110	1.0
372.21634	2.1
390.22684	4.5
404.24347	1.0
422.25360	23.1
423.25632	1.7
440.26404	100.0
441.26706	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	440.264
Annotation	Parsonsine
Peak:m/z	Relative Intensity
56.05024	0.9
58.06596	4.3
60.87371	0.3
67.05503	0.9
69.32885	2.3
72.08125	1.0
79.05486	0.7
81.07076	0.5
84.08143	1.5
88.07611	0.5
91.05489	1.2
93.07062	0.7
95.04963	0.7
102.09188	0.6
105.07047	0.5
107.04958	1.4
108.08103	2.5
109.06463	0.6
112.07611	0.8
114.35766	0.3
117.07021	0.7
119.04906	0.4
122.09644	1.4
128.06256	0.4
128.10707	0.5
129.06995	1.5
131.08563	1.1
137.05927	0.5
141.06999	1.1
143.08528	1.6
145.06502	0.6
145.10176	0.5
146.33038	0.4
152.10695	0.9
152.32367	0.4
155.08537	1.2
157.10130	0.4
160.11186	0.5
165.06966	0.7
167.08603	0.7
169.10060	0.9
171.08006	0.6
172.11200	1.0
174.12669	0.5
178.07709	0.6
179.08585	0.6
181.10081	1.3
183.08157	0.4
183.11671	0.4
184.11226	0.8
186.12807	0.8
190.12318	0.8
191.08595	0.9
193.10088	0.5
195.08064	0.5
195.11792	0.5
198.12675	0.5
201.24663	0.4
204.13795	0.5
205.10109	0.6
209.09523	0.7
216.13785	0.4
265.12039	0.5
294.18179	0.4
310.18079	0.5
322.17990	0.5
332.18494	4.1
340.18979	0.8
346.19754	0.6
358.19965	1.4
364.21347	0.4
372.21597	2.9
376.21228	1.4
390.22620	2.8
404.24249	6.2
405.24637	0.6
408.23648	2.6
422.25293	6.7
423.25473	0.6
440.26376	100.0
441.26740	9.1
444.90897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29790	0.3
56.05020	1.5
58.06595	4.7
62.53457	0.3
67.05506	0.5
69.58492	1.2
71.05005	0.4
72.08138	1.6
79.05479	0.7
80.05000	0.4
80.55167	0.3
81.07031	0.5
84.08153	1.7
86.09692	1.4
88.07616	0.4
91.05473	1.5
94.06602	0.4
96.08139	0.5
98.09666	0.5
98.22791	0.4
102.09167	1.5
105.07032	1.1
107.04949	7.1
108.08108	5.1
115.05496	0.5
117.06998	1.3
121.02865	0.7
121.06407	0.4
122.09639	0.7
124.11236	0.4
128.06224	1.1
129.06993	1.4
131.08603	1.7
141.06976	0.7
143.08562	1.8
145.06432	0.6
145.10104	0.7
149.37807	0.3
153.06976	0.5
154.12276	1.3
155.08504	0.8
157.10132	0.7
159.07996	0.4
160.11212	0.5
165.06880	0.4
167.08516	0.7
169.10100	1.1
173.09572	0.4
174.12759	0.5
178.07838	0.4
179.08585	0.9
181.10146	0.6
185.09540	0.4
186.12794	0.7
188.14290	0.4
193.10164	0.6
195.08128	0.4
195.11684	0.5
197.09561	0.4
204.09961	0.4
205.10249	0.7
211.11346	0.3
237.12869	0.4
249.12561	0.4
252.19838	0.4
260.16550	0.9
279.13715	0.4
340.19000	0.7
344.18311	0.5
354.20584	0.6
358.19797	0.5
372.21637	2.9
386.23468	0.4
390.22699	3.6
404.24100	1.0
408.23834	0.8
422.25357	19.4
423.25882	1.1
440.26382	100.0
441.26672	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	440.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.3
57.07072	31.1
59.04995	0.9
61.78092	0.7
65.22914	0.7
69.07080	1.9
71.08627	27.4
73.06558	6.4
75.11774	0.7
81.07070	1.4
83.08614	4.6
85.10175	22.7
87.04479	1.5
88.93438	0.8
89.06023	100.0
90.06375	1.4
91.07590	1.0
95.08628	0.9
97.10140	1.0
98.23537	1.2
99.11743	3.1
105.43092	0.8
107.07090	2.9
116.51778	0.8
117.09151	2.6
125.08160	0.7
129.58636	0.8
130.08623	1.6
131.07095	1.0
133.08591	45.2
141.16383	4.1
142.16640	1.0
170.21793	0.8
177.11218	17.6
185.01331	0.8
185.18994	4.8
195.12238	2.2
220.74942	0.8
221.13844	1.4
226.21721	1.2
229.21606	8.4
239.14903	2.2
273.24286	3.3
283.17505	11.9
329.53195	0.8
335.28027	1.3
359.50095	0.7
383.20932	0.7
404.86490	0.8
423.27661	1.6
423.33130	16.7
423.38876	1.1
424.33112	1.1
440.29123	1.6
440.35928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.7
56.96553	14.6
58.06598	6.6
63.91458	0.9
69.64857	2.2
69.65240	2.0
70.11517	0.9
72.08142	2.6
73.82838	0.9
79.05471	2.1
84.08128	3.3
84.96018	6.9
85.02885	1.5
91.05475	1.3
96.08134	1.9
98.97569	99.8
99.97915	1.0
102.96967	1.1
105.07041	1.0
107.04945	6.5
108.08119	3.0
110.09676	1.1
110.56834	0.9
110.97553	34.5
112.99100	1.3
113.71066	1.1
116.97771	1.8
116.98600	34.9
117.06989	1.5
122.09643	1.1
124.99117	3.3
127.00662	1.4
128.98582	27.2
128.99495	1.6
129.07068	1.6
131.08531	1.4
133.91953	1.0
134.99644	6.2
138.09140	1.4
140.10728	1.3
140.98572	13.4
143.00145	15.4
143.08621	1.1
144.98174	1.2
146.99603	8.6
152.98563	6.7
155.00093	1.0
155.08519	1.3
158.99631	38.5
161.01205	9.5
167.08574	2.0
170.99620	27.5
177.00682	29.4
179.08511	1.0
181.10165	1.5
182.99634	24.0
185.64336	1.0
189.00694	23.5
194.99657	1.4
195.01550	1.3
195.11650	1.2
201.00677	62.0
207.01837	6.1
213.00752	3.7
219.01740	45.9
231.01804	5.3
237.02782	17.8
237.12505	1.3
241.01906	1.2
243.01736	22.3
249.02596	1.6
261.02786	90.8
262.03107	2.2
273.02762	8.6
279.03851	60.8
285.04733	1.6
291.03839	17.6
297.04865	2.4
303.03751	1.5
309.04892	2.0
321.04892	41.0
329.91525	1.2
333.04984	4.9
351.05869	4.8
358.20090	1.9
365.10489	1.0
372.21622	2.5
376.21249	1.4
381.06891	3.3
390.22565	2.7
391.22821	1.8
399.08176	3.7
404.24252	2.0
405.24713	1.6
408.23694	7.8
409.24094	3.8
422.25385	6.4
423.25653	3.1
424.22729	1.1
440.26413	100.0
441.09174	17.5
441.26761	49.1
442.24570	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	441.201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.06141	0.6
79.05484	0.8
81.07040	1.3
95.08583	0.7
109.10101	0.7
145.00128	0.6
145.14084	0.6
157.09573	0.6
198.06277	0.6
297.59991	0.7
306.92526	0.6
323.14615	1.3
337.35391	0.6
352.01013	0.6
369.08002	0.7
405.22427	38.0
406.22891	1.9
441.20093	100.0
442.20456	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	441.2011
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
67.05512	0.5
79.05508	0.4
81.07045	1.0
81.68207	0.3
90.04026	0.4
93.06974	0.5
95.08548	0.5
100.23656	0.4
105.07040	0.4
109.10161	0.5
118.85431	0.4
119.08575	0.5
169.04665	0.4
323.14584	1.4
369.08209	0.6
405.22421	34.0
406.22906	1.7
441.20078	100.0
442.20428	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	441.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	32.3
57.07063	11.0
58.06594	3.6
67.05499	23.1
69.07062	41.8
69.20506	15.5
69.59189	2.2
71.01340	3.2
71.04987	4.0
71.08625	13.6
73.62370	2.0
79.05472	12.8
81.06610	4.8
81.07041	41.8
83.04955	2.7
83.08617	32.5
84.04520	6.1
85.02876	3.0
85.06564	3.7
85.10203	4.9
89.02370	2.9
91.05455	18.7
93.07027	25.6
95.04958	5.7
95.08593	50.8
97.06516	6.6
97.10152	15.8
98.23611	2.3
100.08356	2.4
105.07018	42.9
105.07719	3.2
107.08582	23.6
107.13692	2.2
109.02810	2.6
109.10137	37.3
117.07020	9.8
119.08562	31.3
121.06493	3.5
121.10139	25.5
123.11703	11.7
125.13223	2.6
128.06200	3.3
129.07036	7.5
131.08560	22.9
133.10098	18.3
135.08072	4.1
135.11699	12.7
137.09613	4.8
137.13237	18.7
141.06998	4.0
142.07816	4.2
143.08543	17.8
145.06477	6.1
145.10114	26.5
147.08035	3.0
147.11703	22.4
148.06035	3.7
149.13297	8.9
151.14809	3.1
155.07069	9.5
155.08510	13.1
157.10106	23.3
159.11664	23.4
161.09715	3.5
161.13258	8.7
163.14832	6.7
165.09113	10.2
166.07784	2.9
169.10072	14.3
170.10976	3.0
171.08020	3.2
171.11684	17.1
173.13290	14.5
175.14824	5.8
177.16537	3.8
181.10097	4.3
182.10959	3.4
183.11655	14.9
185.13203	15.5
187.11122	3.5
187.14851	8.8
189.16446	5.3
191.10594	4.0
193.10078	3.4
195.11691	5.5
197.13255	13.1
199.14766	25.6
199.93164	2.6
201.16434	7.4
203.18019	3.2
205.19464	3.5
209.13312	3.8
211.14835	6.2
213.16428	7.4
217.12431	2.7
217.19627	4.1
223.14729	7.5
225.16487	6.8
227.18001	5.2
229.19414	2.7
235.14986	3.2
239.18062	3.4
241.12294	6.6
241.19543	6.3
253.19485	4.5
255.21034	6.1
257.15277	3.5
261.14758	3.1
265.15845	3.5
269.22586	3.3
283.16943	9.5
283.24271	4.8
285.18472	4.3
297.18530	4.4
301.18027	8.6
303.19604	9.1
337.28818	8.3
339.23285	7.7
339.30225	18.7
340.22849	2.6
353.24844	2.6
357.24139	8.0
363.30319	3.8
381.31427	3.8
397.34552	2.8
405.31622	5.3
423.32672	25.1
441.33670	100.0
442.29416	49.5
442.34088	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	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.3
53.55014	1.7
55.01860	3.3
57.03419	5.5
58.06339	2.0
58.06596	28.5
61.02898	4.1
68.77676	1.6
68.78683	1.7
69.03417	13.8
69.60341	3.0
69.60728	4.7
71.04982	5.4
73.02898	4.9
81.03403	16.0
85.02893	80.6
85.03411	4.1
87.04456	1.9
88.95368	1.8
91.03956	2.1
94.98671	1.7
95.51320	1.6
97.02882	35.1
97.06513	5.6
99.04443	47.1
103.03928	95.6
109.02876	18.9
115.03901	2.7
127.03902	100.0
128.04239	2.6
131.29898	2.1
145.04936	74.5
145.06078	4.0
163.06003	54.0
187.06038	5.5
205.06952	4.1
213.05415	2.0
241.04884	20.2
271.08090	10.4
279.10229	2.4
289.09134	7.2
300.06094	2.4
301.06946	15.7
305.51334	1.8
307.10214	7.7
347.12515	3.8
379.15100	2.0
397.12262	3.9
442.17719	18.5
443.18582	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	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
53.68634	2.0
54.87467	1.8
55.01862	2.8
55.05506	7.2
56.09308	1.9
57.03432	23.0
58.06580	2.1
59.04988	2.2
61.02911	8.4
67.05505	2.8
69.03419	60.3
70.06589	2.8
71.08628	5.5
73.02899	26.2
81.03413	4.1
81.07029	5.0
82.06564	2.6
83.04977	3.9
83.08599	4.6
84.89007	2.0
85.02890	100.0
85.06543	3.9
87.04455	32.0
88.11279	3.0
91.03918	3.4
93.07053	4.4
95.08592	4.9
97.02251	3.7
97.02877	65.0
97.03482	4.3
97.06528	2.7
98.23594	4.2
99.04419	4.6
100.07628	3.6
100.11254	9.2
107.08569	2.5
109.02881	5.9
109.10138	2.8
111.04415	2.6
112.86375	2.1
115.03909	60.6
121.10099	2.3
127.03896	21.9
128.07109	2.5
133.04945	49.9
135.11707	2.6
145.04930	48.8
150.07602	8.5
150.36145	2.2
163.06006	14.6
165.09132	5.6
170.15385	16.6
182.15350	11.0
198.14894	13.1
204.03348	2.0
209.16370	2.6
210.14870	11.2
228.15933	3.7
241.06900	2.9
245.18619	3.4
251.07095	2.4
259.08139	3.9
297.25330	2.9
337.21155	6.0
355.22171	2.3
379.14966	2.4
424.31607	11.2
442.25580	14.8
442.32425	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	442.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86653	2.0
54.76311	2.1
55.01859	3.4
55.05508	4.8
57.03427	21.5
58.06589	9.3
59.04980	4.6
60.04509	8.3
61.02911	3.5
61.42562	2.7
67.05491	7.0
69.03058	4.4
69.03420	64.8
69.07060	5.0
71.04994	2.7
73.02912	13.3
79.05466	5.1
81.03400	9.2
81.07045	6.4
85.02895	100.0
87.04461	36.2
91.03905	3.2
91.05444	2.5
93.07039	4.2
95.04942	3.7
95.08585	6.2
96.28023	2.3
97.02879	65.3
97.06525	7.2
99.04444	7.4
105.81454	2.5
109.02883	7.6
109.10129	2.8
112.07677	2.7
115.03915	69.6
116.37054	2.4
120.08123	2.4
127.03899	18.8
133.02191	2.5
133.04948	72.4
138.09140	5.0
145.04947	45.3
149.42575	2.7
150.07559	6.0
156.10191	6.3
163.05977	20.7
165.09091	5.7
186.43434	2.3
240.34492	2.5
251.06993	7.4
259.07904	3.5
262.54437	2.2
277.09122	4.3
279.10147	5.9
303.10126	2.5
306.09039	3.2
323.95316	3.6
335.12695	11.6
347.12732	7.1
354.20660	2.7
365.13782	5.9
379.15323	6.3
397.16483	18.6
419.78574	2.6
424.30411	6.3
442.21985	21.4
442.26221	12.6
442.31631	21.5
443.31696	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	442.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77850	9.3
55.05501	100.0
67.05485	33.4
69.07052	17.7
71.05000	22.7
73.99043	9.6
79.05480	29.8
81.07057	27.0
83.08607	67.4
93.07040	26.4
95.08589	17.4
105.07026	24.3
107.08584	16.8
109.10114	24.2
119.08558	15.1
121.10134	17.3
125.09638	16.8
133.10168	14.6
135.11690	17.6
155.10535	14.5
161.13342	15.9
171.41301	10.5
173.11714	73.6
181.92192	10.6
183.75328	9.8
189.11136	10.2
268.87317	11.3
275.20023	16.1
442.39993	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77850	9.3
55.05501	100.0
67.05485	33.4
69.07052	17.7
71.05000	22.7
73.99043	9.6
79.05480	29.8
81.07057	27.0
83.08607	67.4
93.07040	26.4
95.08589	17.4
105.07026	24.3
107.08584	16.8
109.10114	24.2
119.08558	15.1
121.10134	17.3
125.09638	16.8
133.10168	14.6
135.11690	17.6
155.10535	14.5
161.13342	15.9
171.41301	10.5
173.11714	73.6
181.92192	10.6
183.75328	9.8
189.11136	10.2
268.87317	11.3
275.20023	16.1
442.39993	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78403	0.4
57.03411	0.4
58.00537	0.4
58.06578	0.7
59.77895	0.5
69.03425	1.6
70.06590	0.5
71.43921	0.6
73.02911	0.6
84.08146	0.5
85.02911	1.7
87.04443	0.5
97.02921	0.6
98.97592	1.2
101.06018	0.7
115.03936	0.5
127.03816	0.7
131.07010	2.2
132.07347	0.6
133.08578	0.5
149.02086	4.7
163.05981	0.5
164.28842	0.4
227.02225	1.5
229.06937	0.7
232.26082	0.5
245.12830	1.4
279.03394	0.6
294.12454	0.5
311.07422	0.8
317.08408	11.7
317.11960	0.9
318.08725	0.5
442.27411	2.9
443.11569	100.0
444.11798	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	443.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03364	5.1
53.03936	5.9
53.23961	5.3
55.05520	4.5
56.96555	6.9
60.69485	4.8
69.03420	17.5
69.07073	5.7
69.58969	4.7
69.92543	15.9
70.08515	4.7
71.04984	7.4
72.30234	5.3
79.54245	4.7
81.03405	18.5
83.04987	9.5
85.02898	88.0
85.15108	4.7
91.40260	4.8
97.02890	22.0
98.97568	23.3
99.04447	47.7
101.06004	24.7
103.03923	80.1
109.02918	16.4
113.05975	5.7
116.98616	5.5
127.03905	100.0
131.07062	15.0
132.07301	6.8
145.04970	54.4
163.06047	42.6
187.06070	6.3
188.55568	5.0
271.08084	8.7
285.84464	5.3
307.10431	7.0
351.40555	5.1
442.27087	5.9
443.11465	43.8
443.27359	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	443.3516
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
54.07480	3.2
55.05502	42.0
57.03424	3.6
57.07069	26.4
60.04514	4.0
67.05499	36.4
69.07058	85.4
70.06586	5.1
71.08622	19.5
74.25070	2.6
79.05489	25.0
81.07046	77.6
83.08617	41.0
84.04510	7.1
85.10175	10.5
91.05463	25.4
93.07028	52.6
95.04939	9.7
95.08595	82.9
97.06512	3.8
97.10162	20.7
105.07020	73.3
105.07729	5.0
107.08585	61.3
108.66429	3.7
109.06487	6.5
109.10135	57.9
111.11697	10.9
117.07024	10.2
119.08566	56.0
120.08881	3.2
121.06519	4.2
121.10131	51.1
123.11700	25.4
125.09621	3.2
125.13292	3.9
128.06290	3.6
129.07019	6.3
130.04929	3.1
130.07751	3.8
131.08556	39.9
133.10120	43.9
135.11705	20.6
137.09608	4.9
137.13266	18.6
138.09099	4.4
139.14832	3.4
142.07747	6.0
143.08537	24.0
145.10091	46.1
147.08069	4.7
147.11668	44.4
148.06006	5.5
149.09599	6.7
149.13222	28.5
151.07489	5.4
151.14792	6.7
155.07016	13.2
155.08472	3.4
157.10088	23.5
159.11678	41.4
161.13269	26.1
163.14818	10.2
165.09120	17.7
165.16339	3.7
169.10138	8.5
171.11690	13.2
173.09494	3.4
173.13248	22.4
175.11086	3.4
175.14818	12.6
177.09088	4.2
177.16293	3.8
179.10696	5.5
183.11649	12.0
185.13287	15.7
187.14792	15.3
189.09178	7.0
189.16351	6.7
191.10706	13.1
197.13242	10.0
199.11200	4.3
199.14799	30.1
201.16339	20.3
203.17950	11.8
204.52586	3.5
205.12334	4.3
209.13295	4.3
211.11278	3.7
211.14879	7.1
213.12787	3.8
213.16306	6.4
215.17841	5.0
217.19518	6.8
225.12746	4.2
225.16406	6.0
227.17920	7.0
229.12074	4.5
229.19519	4.0
231.13779	3.6
231.21007	3.5
233.15266	3.6
239.17906	3.3
241.15886	3.4
241.19592	4.7
243.13791	6.1
243.20845	4.1
255.21114	3.8
257.22540	5.2
259.24362	4.2
285.18457	6.4
287.20044	10.1
301.21698	4.4
303.19495	9.5
305.21127	5.0
313.21451	4.6
319.22800	4.3
327.23196	9.1
331.22800	4.4
339.30392	7.9
341.24722	3.4
341.31943	29.6
345.24026	8.3
383.33060	4.3
407.33240	5.6
425.34378	25.1
443.29764	14.4
443.35202	100.0
444.35995	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	444.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03429	0.7
69.54244	2.1
79.05443	0.8
91.05444	1.6
95.04935	0.8
103.05453	0.8
105.07018	6.8
107.04251	0.9
107.04932	13.6
115.05419	3.2
118.39837	0.7
121.06470	1.6
125.05963	3.0
131.04900	0.8
131.08543	1.6
133.06473	8.9
135.04373	1.3
135.08015	2.8
141.06911	2.0
143.04857	2.2
145.06404	1.1
146.65315	0.7
151.03882	1.2
151.53764	0.8
152.07030	7.1
158.37695	0.7
159.08005	2.1
160.05154	1.2
161.05966	10.3
163.03838	2.5
163.07495	4.6
165.01822	2.4
165.05458	0.7
169.06419	1.2
171.04356	15.0
175.03864	0.9
177.05437	1.5
179.03348	1.4
180.06526	47.4
181.06920	1.8
187.03885	9.2
187.07509	3.4
189.05434	100.0
190.05795	4.1
191.03323	1.5
191.07027	9.9
197.05975	1.4
205.04942	2.0
206.04463	1.0
212.09114	5.2
215.06944	1.7
233.08047	93.1
234.08400	4.1
287.12766	0.8
323.28903	0.9
368.11172	5.8
412.13971	5.8
431.04175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84784	0.7
55.05496	1.5
69.03415	1.8
70.01712	0.7
76.99971	0.7
79.65164	0.8
81.07030	0.7
87.08073	0.9
91.05833	0.9
98.23461	1.5
106.06599	0.9
107.04920	1.8
131.08560	0.8
151.03871	1.5
159.65616	0.8
163.03906	3.8
166.04956	1.1
168.01703	0.7
173.14651	0.8
175.03706	0.9
176.03415	3.3
177.09100	1.0
180.06679	1.1
189.05450	1.6
199.29547	0.7
202.13217	0.7
203.06979	3.4
208.06024	5.7
211.06152	1.3
215.07016	1.9
218.07970	0.9
228.06543	1.7
233.08047	1.3
238.04932	0.7
239.05411	1.3
250.04845	0.9
251.05765	2.0
254.07985	1.4
255.62808	0.7
262.10718	1.2
267.05167	12.0
268.05811	1.6
278.04346	2.0
279.05283	0.9
281.06665	1.0
282.07532	8.9
283.04718	1.7
283.07742	1.0
284.05557	2.2
291.05508	1.0
291.08826	1.8
292.05972	1.1
294.04221	0.8
294.07593	1.3
295.04681	15.3
296.05106	1.1
302.08099	2.8
304.06073	1.4
306.03885	1.8
307.04678	1.1
308.05539	1.7
310.03445	1.1
310.07037	20.2
311.04202	2.8
311.07532	1.2
319.08249	1.1
320.05630	1.7
320.09143	3.1
322.03464	1.1
322.07031	1.8
323.04224	15.2
323.07825	1.8
324.04944	1.2
324.08685	1.7
325.05719	1.4
326.06540	10.8
330.07574	3.9
332.05606	1.3
333.06128	1.0
334.06973	2.0
336.04990	0.9
338.06525	100.0
339.07043	6.1
347.07986	2.8
348.08347	1.4
350.06650	0.9
352.11768	2.2
357.08328	0.8
362.10147	6.5
370.09167	80.2
371.09341	4.2
380.11224	27.9
380.16037	1.5
381.11206	1.4
412.13855	82.2
413.14081	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	444.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03568	1.7
55.99197	1.6
56.87751	1.6
57.03424	18.7
57.07070	16.2
58.06575	1.7
58.07741	1.5
59.04995	100.0
61.02901	1.7
68.66166	1.5
69.03420	54.2
69.91369	3.5
69.91684	2.3
70.06577	1.6
73.02918	7.6
73.04737	2.1
78.06113	1.6
79.05457	2.0
81.03408	3.2
85.02891	36.6
86.09703	2.6
87.04456	32.9
87.04947	1.1
97.02878	50.0
98.03228	1.6
98.22688	1.8
99.04448	3.2
115.03918	62.0
115.11198	33.9
127.03880	6.3
133.03931	3.1
133.04948	58.3
133.12221	53.7
139.03894	1.6
145.04955	7.3
163.05988	2.3
177.05385	2.3
198.04335	3.4
241.06903	2.9
259.07986	3.1
295.09991	3.1
444.27322	3.2
450.29471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.274
Annotation	(+)-N-Deoxymilitarinone A
Peak:m/z	Relative Intensity
51.65570	0.2
51.89570	0.2
57.07072	3.6
58.06588	1.0
67.05498	0.3
69.11884	0.5
69.12297	1.0
70.06580	0.5
79.05479	0.5
81.07043	0.6
86.06067	0.2
86.09677	0.3
91.05465	0.9
93.07034	0.9
94.06552	0.4
95.04970	0.4
95.08600	0.4
96.08065	0.3
98.23421	0.5
101.63789	0.3
105.07009	2.2
107.08576	0.6
108.08087	0.5
110.05980	0.4
117.07033	0.5
119.08565	0.9
120.08123	0.3
123.72398	0.2
128.06230	0.3
129.07005	0.5
131.08528	1.4
132.08099	0.4
133.10152	0.4
141.06982	0.6
143.08548	0.6
144.08090	0.6
145.06429	0.2
145.08960	0.2
145.10107	0.6
146.09647	0.7
148.11177	0.4
153.06989	0.4
155.08501	1.1
157.10088	0.7
158.09628	4.5
159.10358	0.4
160.11215	1.4
161.09694	0.2
162.12738	0.2
165.06953	0.6
167.08510	0.5
169.10063	1.1
171.11697	0.5
176.10709	0.4
178.07721	0.3
178.12305	0.4
179.08650	0.5
179.99280	0.2
180.09276	0.5
181.10141	1.0
183.11690	0.2
190.12241	0.5
193.10103	0.9
195.11639	2.9
196.12341	0.3
197.13159	0.3
204.34549	0.2
205.10104	0.4
206.10829	0.2
207.11714	0.7
209.13187	0.7
211.14839	0.4
219.11723	0.3
221.13315	1.2
232.12532	0.4
247.14915	0.3
254.15317	0.3
278.19025	0.7
294.18466	0.3
296.19989	3.0
306.18515	2.3
311.92068	0.2
324.19522	9.8
325.19958	0.7
342.20609	3.3
343.21115	0.3
398.26871	2.5
408.25323	0.3
426.26300	23.0
427.26569	2.0
444.27368	100.0
445.27719	10.0
453.00400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
53.03925	1.6
55.01850	1.3
57.03426	0.8
57.49559	0.4
58.06580	0.6
60.04536	0.6
61.02919	1.1
65.03915	0.8
67.12019	0.5
69.03421	5.2
70.06615	0.5
71.04980	1.2
71.44641	0.6
71.45734	0.5
71.78436	0.4
72.08136	1.7
73.02904	1.4
74.79659	0.4
79.05474	0.5
81.03410	4.0
81.07026	0.7
85.02890	8.5
86.09689	1.6
87.00803	5.2
89.23376	0.4
91.03942	0.6
93.07020	0.4
95.04957	0.9
95.08628	0.5
97.02892	5.1
99.04436	1.8
105.01844	1.8
105.04521	0.5
105.07005	1.2
108.04459	1.3
109.02876	4.1
117.01823	0.8
117.07014	1.2
121.02850	2.8
121.03883	0.4
126.05491	0.8
127.03899	6.3
129.06969	0.6
133.02843	2.6
135.04399	2.5
143.08495	0.5
145.04930	2.7
145.10107	0.9
147.08083	0.5
149.02318	100.0
150.02620	3.1
159.02888	2.3
163.03883	71.4
164.04227	2.0
167.03395	1.3
173.12859	1.0
181.04927	33.6
182.05321	1.1
205.08597	0.7
206.15334	0.6
230.06477	0.5
231.04948	1.5
235.11070	0.5
248.07449	1.0
249.11174	0.8
284.22159	0.6
303.58194	0.5
316.22833	0.5
358.23849	1.0
400.28378	1.9
435.64505	0.5
445.27795	0.7
446.21664	8.0
446.28824	10.6
447.21896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93258	0.9
53.03945	4.5
55.05497	1.9
57.03428	1.3
61.75357	1.0
63.89271	0.9
65.03915	1.3
67.05497	22.8
69.03426	12.9
69.07055	6.5
70.56133	0.9
71.04979	4.3
72.08144	1.7
73.02905	1.6
73.04731	1.7
79.05495	1.5
81.03407	8.2
81.07061	1.4
83.04979	11.3
84.04488	2.0
84.08138	2.4
85.02893	28.6
86.09704	4.1
91.05849	1.5
93.07048	1.3
93.87755	1.0
94.06588	1.5
95.04954	35.3
97.02888	19.5
99.04450	9.0
103.03934	8.4
105.03365	1.4
109.02879	12.4
112.07585	25.0
113.05996	3.6
121.02834	1.4
122.06001	2.4
124.07584	1.7
127.03904	20.8
128.06485	1.0
128.07576	1.0
131.08562	1.6
133.02863	1.7
136.07579	1.7
140.07045	100.0
141.07423	1.6
145.04961	6.9
145.10162	1.2
154.08643	3.6
155.08571	1.2
161.06001	1.9
164.07048	1.6
171.11606	1.0
177.05499	1.4
178.08675	3.8
179.03403	3.3
182.08102	46.1
183.08354	1.2
189.09114	1.9
206.08116	15.9
218.08180	2.7
227.09135	2.3
236.09186	3.4
243.94759	1.3
245.10176	2.2
248.09158	9.4
266.10208	4.7
284.11166	10.7
295.05823	0.9
302.12299	15.9
307.05774	0.9
338.07263	1.6
354.20364	1.4
360.02194	1.3
384.21707	1.6
392.08765	1.2
400.24765	1.9
410.09296	1.5
445.27109	2.8
446.11649	1.1
446.25446	20.4
452.74814	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92437	1.6
50.96183	1.8
55.01855	2.8
55.30903	1.8
57.07059	3.8
67.05486	2.7
69.03393	3.0
73.02884	2.0
79.05460	3.3
81.03381	2.5
81.07020	2.0
85.02881	6.1
89.99903	1.8
91.05443	3.9
97.02877	2.8
105.07054	2.8
117.07020	11.6
125.05949	2.8
128.12859	1.9
131.08592	1.8
152.07025	8.8
167.08537	1.9
176.07069	3.8
180.06537	73.5
187.41606	1.8
192.06531	9.0
197.06764	2.6
206.04449	4.2
206.08118	11.6
212.09151	5.0
234.07628	18.1
252.08635	100.0
253.08844	3.6
262.15747	2.5
280.16605	2.5
284.11343	11.9
308.16351	2.5
326.17484	14.6
333.59073	2.0
428.24280	78.6
436.02573	1.7
446.25046	68.5
447.25247	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	446.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85536	0.4
55.01866	0.5
55.05501	0.8
58.06588	1.2
59.04996	1.0
68.77852	0.5
70.06587	1.2
70.91224	0.5
72.08158	3.8
73.04752	3.9
74.06073	0.9
81.03382	0.6
84.04479	0.9
84.08129	0.9
85.02900	1.1
86.09689	2.8
87.04395	0.5
91.05788	10.6
92.06140	0.7
93.05458	0.5
101.07139	0.8
103.05448	1.5
107.04929	0.9
113.56482	0.5
115.03944	0.8
117.09150	0.6
123.04385	0.4
129.10236	0.7
131.04872	3.0
133.06113	1.6
135.10172	1.0
155.08771	0.5
155.63068	0.4
157.02859	0.4
163.07559	1.6
167.05524	3.0
168.05630	1.0
169.05193	0.6
179.03439	0.5
184.06346	0.5
187.14430	2.1
199.67711	0.4
215.13876	1.3
225.04211	1.0
226.04465	0.9
232.12946	1.3
284.08972	0.9
325.98651	0.5
343.99753	1.0
359.02878	1.9
360.02780	5.7
360.21738	1.1
361.02728	1.0
396.21500	6.4
421.52274	0.5
428.24033	2.9
430.08847	0.6
446.25079	100.0
447.14758	5.0
447.25290	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	446.2532
Annotation	SCH 210972
Peak:m/z	Relative Intensity
50.50849	0.3
55.05502	0.6
56.05046	0.4
57.03432	0.8
57.07071	8.1
58.06582	0.5
64.28351	0.4
65.03933	0.5
67.05491	1.0
69.03414	0.9
69.07069	0.4
70.06582	2.5
70.79080	0.3
79.05503	2.0
79.05899	0.3
80.04996	0.8
81.03399	0.8
81.07042	2.2
82.06577	0.9
83.31631	0.3
84.08152	0.3
85.02912	1.1
87.04461	0.5
91.05447	4.3
93.07036	2.5
94.06564	0.8
95.04949	1.1
95.08614	2.2
96.08119	0.8
97.02892	0.9
103.05451	0.8
105.07014	4.3
107.08601	1.1
108.08076	0.7
109.06499	0.4
109.10119	0.6
115.03851	0.5
115.05430	3.6
116.06257	0.4
117.07002	14.6
118.06519	0.8
118.07327	0.8
119.04917	1.5
119.08568	1.1
120.08088	0.8
121.06491	0.7
127.03930	0.4
128.06226	0.6
129.06969	2.6
130.06551	0.8
131.04898	1.1
131.08545	2.1
132.08064	1.9
133.04959	0.6
133.06488	1.0
133.10121	1.3
134.09573	0.5
135.04431	2.3
135.08072	0.8
137.05934	0.4
141.06998	1.5
142.07784	0.8
143.04909	1.3
143.08496	2.0
144.08049	0.8
145.06467	1.5
145.10117	1.8
146.06009	1.7
146.09573	0.5
147.08026	0.4
148.07544	0.5
149.05997	0.5
149.09604	0.4
153.07001	1.0
154.07773	0.4
155.08492	1.9
156.08105	0.8
157.06517	0.7
157.10094	1.0
158.06006	0.4
158.09628	0.7
159.08054	0.5
160.07574	2.1
160.11234	0.5
161.05989	1.1
165.06992	1.6
166.07732	0.7
167.07362	0.5
167.08546	2.2
169.06456	0.6
169.10121	0.9
172.07538	0.6
173.05946	0.6
174.09129	0.5
176.07040	2.7
178.07803	1.5
178.12262	0.5
179.08521	2.5
180.06578	1.6
180.07910	0.5
180.09340	0.6
181.06548	0.9
181.10149	1.6
182.09622	0.8
183.08083	0.8
183.11638	0.6
190.08578	2.1
191.08537	1.4
191.24974	0.4
192.09326	1.0
193.10152	2.1
195.08061	1.1
195.11638	0.9
198.09070	0.4
202.07703	0.6
203.08527	1.2
204.09274	0.9
205.10123	1.3
206.04526	0.5
206.10905	1.2
207.11763	0.9
208.08734	0.6
209.09634	0.7
209.13351	0.6
210.08987	0.5
211.07521	0.7
212.14293	0.7
215.08635	0.6
216.09465	0.4
216.13914	0.6
217.10234	0.7
219.08061	0.6
219.11707	1.0
221.09579	0.9
221.13310	0.7
223.14798	0.4
230.10925	0.6
233.09679	0.7
233.13297	1.2
234.10490	0.5
234.12602	0.4
235.11163	1.3
235.14781	0.7
236.14215	0.6
237.12773	0.8
245.13199	0.8
247.11076	0.5
248.14188	0.6
249.12851	0.6
250.15886	0.4
251.10831	0.5
251.14175	0.6
252.08443	1.9
253.12144	0.4
254.11700	0.4
261.12604	0.5
262.15897	3.4
263.14169	0.5
264.13773	0.4
265.12210	0.7
266.15344	0.5
278.15378	0.4
279.13699	1.0
280.16940	1.6
284.11133	0.4
290.15274	0.4
291.13766	0.6
296.16516	0.4
298.17978	0.7
308.16382	3.3
316.22705	0.6
326.17426	16.6
327.17770	1.0
400.24298	0.7
400.28732	0.7
406.68909	0.4
428.24255	100.0
429.24539	6.3
446.25409	91.2
447.25723	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	447.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75452	0.4
55.98912	0.5
56.96553	0.6
58.06585	0.9
69.03435	0.6
70.93555	0.4
70.93908	0.5
72.08130	1.0
73.04741	2.2
78.93636	0.4
80.19080	0.5
84.04499	0.6
84.08135	0.8
85.02879	1.2
86.09702	1.3
88.14799	0.4
91.05796	5.2
93.05457	1.1
97.02879	0.6
98.97587	0.4
103.05630	0.4
105.06973	0.5
107.04945	7.6
109.06303	0.5
115.05497	0.5
121.06503	0.8
123.04425	1.2
133.06480	0.6
138.09067	0.5
143.04945	0.5
145.06505	0.7
149.02328	1.8
149.06139	0.6
161.05980	1.6
167.05542	1.8
169.05171	0.7
178.08702	0.5
227.04012	0.7
237.02837	0.5
237.57701	0.5
243.10175	0.5
255.10158	2.5
286.14343	4.1
315.10440	6.8
315.69446	0.5
316.10916	0.6
317.08435	1.1
335.09476	0.5
361.02637	3.1
368.09387	0.5
388.21085	4.3
447.14658	100.0
448.14645	3.9
448.19217	4.3
448.23529	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	447.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	27.5
59.04993	3.7
60.04509	2.6
61.02916	7.5
69.03422	71.9
69.66730	6.7
70.06588	2.4
71.44142	1.7
72.75445	1.6
73.02900	20.8
73.06554	3.5
75.04462	3.8
79.05482	2.0
81.03402	4.9
81.07108	2.5
83.04971	2.1
84.08145	7.0
85.02892	81.6
86.09707	3.5
87.03960	3.7
87.04459	56.6
91.03951	2.3
91.05438	4.1
91.07567	4.7
95.04968	2.1
96.08064	1.9
97.02883	68.7
98.55814	2.0
99.04460	3.8
107.04964	4.5
109.02914	2.6
115.03917	82.3
119.04958	4.5
121.02788	2.1
121.06513	6.1
127.03897	14.3
132.31932	2.0
133.04948	100.0
134.05278	2.1
137.05966	5.5
145.04930	24.1
150.07599	12.6
163.05948	10.7
167.52682	2.0
206.71077	1.9
236.11115	1.9
241.06966	3.2
259.08151	3.7
277.09082	2.7
286.14310	6.8
295.10071	2.1
317.23331	2.2
370.20209	2.7
446.30804	10.9
447.18021	11.2
447.31326	3.1
448.19397	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	447.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01860	2.0
55.05504	3.2
57.03145	1.6
57.03428	29.3
57.12931	1.4
58.06590	3.2
59.04991	5.5
60.04517	2.5
61.02919	5.1
67.00825	1.4
67.05497	2.3
69.03419	85.1
69.07057	2.3
69.35974	1.3
70.03769	1.6
70.06576	2.9
71.01354	2.1
71.04985	3.1
72.08146	2.3
73.02903	19.9
73.04739	2.3
75.04462	3.6
79.05497	3.2
81.03390	6.2
81.07043	2.8
83.04984	2.4
84.08113	1.8
85.02893	76.4
86.09688	8.2
87.04454	63.1
87.05003	2.1
87.78883	1.3
91.03950	2.0
91.05419	3.6
93.07034	3.2
95.04964	2.9
95.08590	2.1
96.08141	1.5
97.02879	73.5
98.09676	3.1
99.04443	4.2
105.07011	4.2
109.02863	4.2
111.04443	1.9
113.16148	1.8
115.03913	96.8
119.08594	1.7
126.05468	1.7
127.03888	13.3
128.10675	1.4
129.06902	1.6
131.08511	2.4
133.04945	100.0
134.05266	2.4
135.04390	1.8
135.92664	1.7
136.07542	1.8
139.03909	1.4
141.06865	1.6
145.04936	20.1
150.07600	19.6
153.09351	1.9
157.05014	1.7
163.05992	7.9
167.08524	2.3
175.06110	1.9
177.05450	1.9
177.08952	2.0
179.08467	1.6
189.09079	2.2
193.10129	1.7
229.06964	1.7
229.11868	2.5
241.07149	1.9
259.08231	3.0
277.09207	2.6
285.12375	4.2
295.10239	2.7
305.15204	1.8
310.17853	2.0
342.20236	1.7
361.02414	3.1
424.21777	1.8
430.21951	24.2
447.18094	8.2
448.23193	23.8
448.27686	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	447.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	14.5
55.05503	47.2
57.03427	61.3
57.07067	14.9
65.03922	1.2
67.05491	15.3
68.95014	1.2
69.07056	42.2
71.08611	7.3
73.02908	1.9
73.13244	1.3
73.80981	1.3
79.05474	9.4
81.07037	16.3
83.04978	2.1
83.08601	34.4
85.10159	3.5
86.26388	1.3
91.05457	3.3
91.84512	1.3
93.07043	9.8
95.08588	10.3
97.06499	4.0
97.10156	24.6
98.98450	83.7
107.08598	5.4
109.10150	4.5
111.08085	2.2
111.11719	6.2
116.99498	2.7
119.08555	1.8
121.10116	9.3
123.05901	1.5
123.11634	2.2
129.05466	2.5
131.08505	1.6
133.10033	1.4
135.11674	8.8
136.99962	86.3
137.13217	2.8
139.11227	1.3
149.13313	1.9
155.01013	66.7
171.63853	1.6
193.02591	15.7
211.03603	13.2
219.20938	2.0
237.22092	16.9
293.24698	1.9
311.25745	69.3
312.26205	2.9
397.43835	1.5
446.42056	1.9
447.24976	100.0
448.25311	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	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90403	0.5
55.01844	0.6
55.05489	1.2
56.05009	0.8
57.03439	2.9
58.06597	7.2
59.04964	0.6
61.02901	1.1
65.03933	1.1
67.05481	2.1
69.03415	3.3
69.07040	0.6
69.13983	3.6
70.06571	1.3
70.09679	0.5
70.47766	0.6
71.04626	1.0
71.04984	11.6
72.08147	4.6
73.02891	2.3
75.04454	0.9
76.27299	0.6
79.05461	2.7
81.03390	2.0
81.07022	2.2
82.06555	0.9
83.04945	1.8
84.08122	1.4
85.02896	20.1
86.06036	0.7
91.05470	21.4
93.07025	2.0
95.04934	2.3
95.08577	1.8
97.02861	3.6
97.50346	0.6
98.09669	2.1
98.23491	1.2
103.05403	0.6
105.03393	8.1
105.04473	0.6
105.07020	2.9
107.04913	1.9
107.08559	1.5
109.02877	1.1
109.06494	0.9
110.09647	1.2
111.04414	0.9
115.03928	1.2
117.06982	1.2
119.04929	29.4
119.08572	1.4
121.02831	1.7
121.06474	1.1
121.10087	1.4
122.09605	1.7
123.04340	0.8
124.11181	2.1
124.18681	0.5
127.03891	2.0
129.05472	5.8
129.06935	1.2
131.08536	1.8
132.02013	0.8
133.06483	0.7
133.10118	1.1
136.07561	1.1
137.02299	0.7
137.05930	1.8
141.06987	0.7
143.08565	1.1
145.02820	0.6
145.04932	1.1
145.10104	1.4
147.04390	20.3
147.06378	3.9
147.07562	0.8
147.11699	1.0
148.04817	0.8
149.02272	0.8
151.07520	9.7
153.01810	2.1
153.05673	0.6
155.08549	1.3
157.03917	2.5
157.06497	0.6
157.10077	0.8
159.11659	0.7
161.06114	0.7
164.04636	0.7
164.07068	0.7
165.01726	0.9
166.07587	0.7
167.08548	0.7
169.10114	0.7
171.11566	0.7
175.03889	40.3
176.04208	1.0
179.07019	1.8
181.10045	0.9
182.11731	7.0
183.11810	1.0
185.09613	0.6
195.11618	1.1
207.06500	100.0
208.06857	3.8
213.05557	1.4
239.17773	0.6
241.04959	0.8
249.07491	1.0
268.22577	1.2
282.18411	1.2
286.23734	6.2
287.05466	58.0
303.04800	0.8
310.21597	1.7
342.20605	4.9
369.11575	0.7
370.23734	28.7
371.23895	0.9
388.24857	8.3
407.65311	0.6
412.27124	0.7
430.25897	11.2
431.26169	1.0
448.26907	84.2
449.10867	0.6
449.27213	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	448.1963
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
53.03933	0.8
55.01863	0.9
57.03426	0.8
58.06570	0.9
61.02909	1.8
69.03413	6.7
69.36882	3.3
73.02901	1.1
79.05490	0.8
81.03410	2.2
82.08691	0.9
85.02903	7.5
87.04453	1.2
88.93627	0.7
91.03952	1.1
91.05456	2.1
95.04948	1.0
97.02908	3.8
103.05466	1.0
105.06994	1.2
107.04941	97.2
108.05244	1.8
109.02865	1.7
115.05415	5.5
116.04907	0.7
116.59800	0.7
119.04921	3.2
121.06488	7.4
123.04411	13.2
127.03911	1.9
131.04895	1.9
133.06473	5.2
135.04422	2.0
137.05965	2.1
143.04903	10.2
145.06462	9.0
149.05971	3.7
161.05957	23.9
162.06281	0.9
163.07539	0.7
166.08652	1.1
178.08601	2.5
179.08415	0.7
188.53351	0.7
194.07307	1.0
197.09610	4.0
209.09608	3.0
219.08006	1.3
225.09081	1.7
228.38092	0.8
237.09073	5.3
240.07869	0.9
243.10168	5.1
255.10130	24.8
256.10587	1.4
274.07217	0.7
286.14337	52.2
287.14658	2.7
448.19608	100.0
449.20096	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	448.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03939	2.0
55.01856	0.7
55.05489	0.5
57.03430	2.0
58.06583	1.1
65.03924	0.7
67.05499	2.6
69.03425	4.8
69.07049	0.9
69.24622	1.8
69.25029	1.0
70.06569	1.3
71.04979	2.5
77.03922	2.1
79.05488	3.7
81.02938	0.9
81.03403	7.5
81.07023	2.6
85.02894	10.2
87.04424	0.5
88.65416	0.4
91.05465	26.1
93.07043	2.7
95.04957	9.1
95.08589	2.6
97.02875	6.2
99.04449	1.6
105.03377	59.4
105.04517	2.8
105.07009	3.8
106.03724	1.9
106.62437	0.4
107.08563	1.8
109.02860	4.8
110.09663	0.6
111.08044	0.5
116.09007	0.4
117.06966	0.5
119.04928	19.0
119.08572	1.8
121.02854	0.6
121.06501	1.0
121.10096	0.7
123.04394	3.2
123.08086	0.6
127.03896	5.2
129.05428	0.7
131.08539	1.2
133.10097	0.8
135.11678	0.5
136.05202	3.2
136.07555	0.5
137.05948	2.7
145.04936	2.2
145.10081	0.6
147.06462	0.4
147.11632	0.7
151.07516	100.0
152.07877	2.4
153.01825	1.7
154.15897	0.5
159.02521	0.5
161.13216	1.1
164.07019	0.8
165.01804	0.6
173.13152	0.5
177.42729	0.5
182.11736	72.1
183.12053	2.0
189.20193	0.4
246.17084	0.5
249.07556	9.7
250.21674	0.9
267.08600	1.6
268.22690	2.9
286.23734	18.8
287.05457	27.1
287.23834	0.5
303.04947	7.2
412.17697	1.1
412.26874	1.0
416.24161	1.0
430.26569	1.6
448.19464	14.0
448.28394	12.3
449.19754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01858	1.5
55.05510	2.3
55.70974	1.0
57.03427	3.0
58.06594	2.4
58.44099	1.0
61.02909	3.0
67.05496	5.3
69.03423	7.4
69.07056	2.7
71.04980	2.8
72.08147	2.0
73.02913	2.5
79.05466	7.4
79.77279	1.0
81.03405	2.8
81.07053	8.6
83.04975	3.9
85.02893	19.3
85.06536	3.8
91.05469	15.6
93.07031	36.0
95.04958	8.7
95.08583	6.2
97.02878	8.7
97.06528	3.9
99.04466	5.4
105.03378	3.9
105.04507	1.8
105.07023	10.3
107.04949	2.9
107.08573	13.7
109.02847	2.3
109.06512	12.4
109.10098	1.5
111.04424	13.8
111.08068	1.4
115.03936	3.0
115.71225	1.2
117.07000	5.2
119.04936	3.8
119.08566	35.3
120.08945	1.3
121.02852	4.7
121.06502	3.0
121.10123	6.9
125.05894	1.4
127.03890	4.3
127.07512	2.1
131.04910	1.0
131.08542	8.3
133.04955	2.1
133.06459	1.8
133.10092	3.0
135.08015	5.7
135.11673	4.0
137.05952	57.4
138.06310	1.3
139.07541	1.4
141.06940	1.3
143.08548	3.2
145.04938	3.1
145.06358	1.6
145.10106	21.5
147.08058	2.4
147.11656	3.6
149.09602	3.0
151.07532	2.6
153.01826	5.8
153.09082	9.5
153.12708	4.0
159.07993	2.0
159.11679	8.5
161.09579	2.2
161.13286	2.8
163.07607	1.5
163.11134	9.7
165.01831	2.0
167.10655	3.0
169.10150	2.5
171.66768	1.2
173.09610	8.4
177.09103	1.5
177.12645	1.6
181.12225	4.1
182.11780	1.8
187.11183	9.3
189.09125	1.2
189.12735	3.3
191.10641	13.1
197.09607	1.8
205.12196	13.2
209.11635	7.0
213.05585	1.4
215.10596	6.3
223.13326	3.5
225.14839	2.1
227.12814	2.1
233.11670	14.2
241.04973	1.3
251.12747	25.6
252.13251	1.6
258.05182	1.6
269.13834	4.5
287.05453	100.0
303.04898	4.3
342.20630	3.1
352.22708	1.3
370.23709	13.4
388.24689	5.8
430.25488	2.7
448.20193	1.5
448.26822	30.8
449.27191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53283	1.6
53.03952	2.1
55.01881	2.0
55.05507	1.7
56.73761	1.9
57.03427	2.7
61.02923	2.3
63.17816	1.4
65.03916	1.7
67.05489	4.2
69.03414	9.3
69.07066	2.9
69.34769	5.6
71.05013	2.1
79.05473	7.8
80.64878	1.6
81.03409	3.2
81.07047	10.6
83.04945	4.0
85.02904	24.9
85.06541	4.7
91.05468	18.9
93.07032	58.5
95.04975	9.2
95.08575	8.5
97.02889	8.4
97.06530	5.4
98.22720	3.2
99.04440	7.2
105.07009	12.6
107.04939	2.3
107.08588	16.7
109.02867	3.3
109.06503	21.9
109.10179	1.9
111.04443	14.0
111.08080	3.7
117.07013	6.5
119.04958	3.0
119.08559	36.1
121.06519	3.7
121.10126	11.4
127.03942	3.0
127.07556	4.5
131.08556	6.8
133.04965	2.3
133.10065	2.4
135.08049	9.5
135.11714	3.2
137.05960	100.0
138.06241	2.3
143.08548	3.2
145.04938	1.6
145.06490	1.9
145.10123	26.9
147.08122	2.2
149.09619	4.0
152.32985	1.5
153.09082	15.2
153.12732	5.9
159.11697	10.7
161.09602	2.4
161.13272	2.0
163.11171	14.0
167.10649	5.9
169.10100	2.8
173.09576	8.4
179.14386	1.7
180.13470	1.6
181.12204	5.2
187.11198	12.5
191.10643	19.8
195.11537	1.6
205.12202	12.4
209.11673	10.1
215.10704	8.5
223.13300	2.1
225.14877	2.5
227.12865	3.2
233.11710	16.9
251.12749	44.9
251.15331	2.9
252.13438	1.9
269.13849	6.7
280.29984	1.6
287.05441	13.7
327.57407	1.7
370.23560	4.2
448.26898	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	448.2689
Annotation	Daphnioldhanin B
Peak:m/z	Relative Intensity
55.01850	0.5
56.05024	0.9
56.50880	0.5
57.03419	0.7
57.07070	7.2
61.64434	0.5
67.05504	1.4
69.03414	2.0
69.49672	2.5
70.06582	1.9
70.73329	0.5
70.91753	0.5
70.97131	0.5
73.00742	0.5
73.81210	0.5
79.05478	2.0
80.05003	0.5
81.03431	0.6
81.07041	2.0
82.06580	1.5
85.02896	2.1
85.06520	0.7
87.04438	1.1
91.05469	3.0
93.07040	1.3
95.08599	1.5
96.08125	0.7
97.02872	1.4
100.93751	0.5
105.03382	1.9
105.07011	2.3
107.04980	0.9
108.08135	0.6
115.03905	1.9
116.68078	0.6
117.07009	1.9
119.04901	0.6
119.08566	0.5
121.02870	0.7
121.06498	1.2
129.06960	1.5
130.06578	0.6
131.08554	0.9
133.04947	1.6
133.10115	0.6
141.06987	1.7
143.08556	1.1
145.10002	0.7
146.09676	0.7
149.08385	1.6
151.63731	0.6
153.06964	1.2
155.08549	1.6
157.10098	1.1
160.07504	0.7
164.10701	9.1
165.07007	1.2
166.07690	0.7
167.08554	2.0
169.10112	1.6
171.11713	0.6
172.11166	0.6
178.07756	1.3
179.08524	1.6
181.10126	1.7
183.07983	0.9
183.11731	0.8
191.08536	1.5
192.09335	1.2
193.10123	2.3
195.07979	1.4
195.11690	1.3
197.09546	0.7
197.13348	0.6
203.08543	1.4
204.09271	0.6
205.10156	2.1
206.10974	1.0
207.11644	1.8
209.13266	0.8
217.10002	1.0
218.10849	1.5
219.11595	0.8
221.09615	1.2
221.13248	1.1
223.11320	0.9
229.04877	0.5
233.13274	0.7
234.13072	0.5
236.14201	0.9
237.12756	1.2
248.14227	0.7
249.12650	0.8
250.12296	0.7
262.15961	0.7
263.14090	0.7
264.17471	1.5
268.22726	0.6
281.15125	0.6
287.05402	8.6
292.16898	1.6
293.15134	0.7
303.05035	3.5
310.18018	3.6
328.19055	6.1
347.47211	0.6
412.24612	1.6
430.25867	100.0
431.20700	0.7
431.26230	7.8
448.26956	72.2
449.27429	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	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99267	0.4
56.04928	2.9
56.05232	0.8
58.06489	9.2
58.06816	2.3
59.04917	0.5
62.06008	0.4
65.03849	0.4
67.05387	1.8
68.99707	0.7
69.03312	1.6
69.03670	0.7
69.26141	2.1
70.06489	0.8
71.04894	0.9
72.08035	1.1
72.08415	0.4
73.31076	0.4
79.05360	3.2
81.06927	1.5
81.07345	0.4
82.06467	0.6
84.08011	2.1
85.02774	2.3
86.09618	0.5
87.04356	0.9
88.07500	1.9
91.05352	4.7
93.03307	0.6
93.06905	1.3
93.07439	0.4
94.06548	2.1
95.04848	1.0
95.35578	0.4
96.08021	0.7
97.02757	1.4
97.06425	0.5
98.09659	2.1
98.23463	0.5
102.09072	0.9
103.05371	0.9
105.03309	0.5
105.06898	1.8
107.04808	1.7
108.07985	1.5
108.08643	0.4
109.02737	0.8
109.06496	2.0
110.09552	0.5
111.00705	0.6
111.04330	0.5
111.08011	0.6
115.03768	1.2
115.05357	0.8
117.06897	1.7
119.04924	3.2
119.08465	0.9
120.07993	0.9
121.02849	4.6
121.06365	1.3
122.09653	15.8
122.10477	0.6
123.07990	0.5
124.11140	0.6
125.05837	0.4
127.03832	0.7
128.06090	1.0
129.06976	3.8
131.08485	2.0
133.02687	0.6
133.04817	1.6
135.07916	1.2
137.02222	1.2
137.05956	3.9
141.06992	2.9
142.07669	0.5
143.08557	2.6
145.10019	0.5
147.04233	1.2
152.10626	0.6
153.01807	4.9
153.06847	1.0
154.07687	0.4
154.12241	12.9
155.08542	1.9
157.06432	0.9
157.09987	1.0
158.09538	0.5
159.07953	0.7
160.41669	0.4
165.01794	2.6
165.07005	2.1
166.07683	0.7
167.08527	2.9
169.10028	0.9
171.04227	0.5
171.08022	0.6
172.11011	0.6
173.09500	0.9
174.12653	0.7
178.07684	0.9
179.08540	2.0
180.09154	0.5
180.40327	0.4
181.09993	1.6
183.02747	1.4
183.07938	0.5
185.05701	0.4
185.09508	0.5
186.12665	1.4
188.14397	0.5
191.08444	1.2
192.09187	1.2
193.09991	1.8
198.12752	0.8
201.09088	0.5
202.07657	1.1
203.08435	1.1
204.09203	0.9
205.10117	1.9
206.10757	0.8
207.11549	1.5
211.11153	0.5
212.14359	0.6
213.05424	2.0
215.08513	1.1
216.09207	1.3
217.10016	1.8
218.10823	1.1
219.11523	1.5
221.13158	0.7
230.10803	0.5
231.06361	0.8
231.11610	2.3
233.13165	1.4
235.14775	0.4
241.04871	0.7
245.13206	0.7
249.12642	0.7
258.05130	1.3
261.12683	0.6
263.14075	1.1
265.15714	0.5
275.14020	0.7
281.15439	0.6
282.18500	0.9
287.05457	100.0
293.15204	0.6
306.18414	0.6
310.17932	0.5
338.21252	0.8
356.22134	0.7
366.20416	0.5
370.19971	4.2
370.23730	0.6
398.23181	2.5
412.24945	0.9
430.25854	91.5
431.26190	7.4
448.27298	36.4
449.10678	0.9
449.27774	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	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
53.54453	0.4
55.05490	0.5
57.03421	1.4
58.06593	6.7
65.03922	1.0
67.05499	0.8
69.03402	1.6
69.07078	0.4
69.41607	1.4
69.42004	0.9
70.06581	1.0
71.04958	1.5
72.08144	6.3
73.02899	0.9
76.90430	0.4
79.05477	1.9
81.03367	0.9
81.07056	2.1
82.06568	0.9
83.04969	0.6
84.08106	1.2
85.02892	3.5
87.04458	0.6
87.81922	0.4
91.04929	0.8
91.05466	10.8
93.07022	1.9
95.04956	1.5
95.08589	1.1
97.02882	1.6
98.09686	1.8
98.22697	0.5
99.04465	0.7
105.03387	3.8
105.06995	2.8
107.04932	1.3
107.08568	1.3
109.02854	0.5
109.10118	0.8
110.09663	1.9
115.03895	0.9
117.07001	1.4
119.04926	12.9
119.08572	1.5
121.06532	0.7
121.10153	0.4
122.09661	1.4
124.11206	1.5
127.03857	0.9
128.06236	0.6
129.05467	0.5
129.06982	0.9
131.08540	1.8
133.04951	0.4
133.06424	0.6
133.10080	1.3
136.07597	0.7
137.05952	1.2
141.06940	0.6
143.08554	1.6
145.04886	0.8
145.10114	1.3
147.04385	10.0
147.06708	0.4
147.11694	0.5
148.11246	0.5
151.07521	5.1
153.01755	0.5
155.08521	1.2
157.03978	1.3
157.10106	1.0
159.11630	1.0
165.07031	0.4
169.10109	1.1
171.08130	0.4
171.11708	1.1
175.03882	17.9
176.04271	0.8
176.10623	0.5
179.07008	0.6
179.08450	0.5
180.26492	0.4
181.10100	0.9
182.11731	3.3
183.11748	1.0
185.13257	0.5
188.14154	0.5
193.10173	0.6
195.11679	0.8
195.92395	0.4
199.11166	0.6
203.46329	0.4
207.06491	41.2
208.06880	1.9
209.13225	0.6
222.27707	0.4
223.14795	0.6
229.04898	0.4
249.07637	0.5
265.15649	0.5
266.43857	0.4
268.22702	0.9
281.17477	0.4
282.18549	1.0
286.23694	4.5
287.05450	10.3
303.05008	1.9
310.21625	1.7
341.65540	0.4
342.20566	9.0
343.21194	0.4
347.25827	0.5
369.11859	0.6
370.23715	46.2
371.24106	3.0
388.24768	14.2
389.25189	1.0
402.22922	0.6
430.25827	7.6
431.26089	0.6
448.26865	100.0
449.20230	1.1
449.27222	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	448.2688
Annotation	Daphnioldhanin B
Peak:m/z	Relative Intensity
56.05020	0.6
57.45467	0.2
58.06595	7.5
59.78693	0.3
61.81813	0.2
67.05475	0.8
68.99760	0.6
69.03395	0.8
70.06558	0.6
71.46134	0.2
72.08141	6.9
77.16692	0.3
79.05485	1.5
80.28387	0.3
81.03382	0.4
81.07013	1.0
82.06548	0.5
84.08113	0.5
85.02879	0.7
91.05462	2.8
93.07030	1.3
95.04920	0.9
95.08566	0.9
96.08100	0.3
97.02835	0.3
97.71934	0.3
98.09669	2.0
105.03381	1.5
105.07008	2.9
107.04912	0.9
107.08549	0.8
108.08061	0.4
109.06530	0.3
109.10122	0.4
110.09659	2.0
111.00732	0.5
117.06985	1.1
119.04866	0.5
119.08542	1.3
121.02856	1.8
121.06492	0.5
121.10057	0.4
122.09604	1.7
124.11214	2.1
129.06950	1.9
131.08517	1.5
133.10068	0.8
135.10394	0.5
136.11125	0.4
137.02267	0.8
137.05946	0.3
141.06931	0.8
142.07645	0.3
143.08546	1.5
145.08958	0.3
145.10056	1.3
147.11584	0.4
148.11209	0.3
151.07495	1.7
153.01814	2.4
153.07021	0.4
155.08543	1.5
157.10086	0.9
158.09590	0.5
159.08005	0.3
159.11650	0.9
160.11195	0.7
162.12773	0.3
165.01767	1.1
166.07782	0.3
167.08493	0.7
169.10066	1.2
171.11632	1.1
172.11148	0.9
176.10580	0.4
179.08511	0.6
181.10052	1.0
182.11710	0.7
183.02821	0.5
183.11642	0.8
185.06006	0.3
193.10074	0.6
194.10847	0.4
195.11636	1.1
197.13260	0.3
205.10147	0.5
207.11679	0.6
209.13243	0.6
213.05383	1.1
216.13823	0.3
237.16466	0.4
241.04916	0.5
247.14908	0.3
257.75006	0.3
258.05252	0.6
282.18390	1.2
282.21606	0.3
286.23825	0.9
287.05447	48.7
292.20480	1.2
303.04922	0.8
310.21481	2.0
342.20584	9.9
343.20844	0.6
352.18304	0.5
352.22614	8.9
353.22940	0.6
370.23700	49.4
371.24091	3.3
379.70407	0.3
388.24741	18.3
389.25006	1.1
430.25867	4.1
431.26059	0.4
448.26868	100.0
449.20975	0.4
449.27216	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	448.2841
Annotation	Smenospongidine
Peak:m/z	Relative Intensity
53.03925	0.5
55.05490	0.9
58.06588	0.8
61.20789	0.4
67.05470	0.5
69.71889	1.5
72.08136	2.0
77.03918	1.0
79.05466	0.6
81.07030	0.9
83.08600	0.5
91.05448	0.8
93.07023	0.5
95.04948	2.1
98.23367	0.6
105.03377	43.0
105.04494	1.1
105.06989	0.8
106.03672	0.8
107.79528	0.4
109.17300	0.4
109.44689	0.5
117.07000	0.5
119.08535	0.7
121.10122	0.4
131.08580	0.8
143.08582	0.6
145.10135	0.7
149.05954	98.3
150.06311	2.4
152.06407	0.4
157.09993	0.5
169.10022	0.6
183.11678	0.9
244.18379	0.4
245.37840	0.4
294.40073	0.4
308.23715	0.7
326.24670	6.5
327.16782	0.5
410.42477	0.5
430.25961	0.9
448.28384	100.0
449.28668	9.0
468.18600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
52.92129	0.1
53.03953	0.2
55.01869	0.1
55.05486	0.1
57.03407	0.1
58.06580	0.3
61.73374	0.1
63.84930	0.1
65.03924	0.2
67.01875	0.2
67.05501	0.2
68.99780	0.9
69.03405	0.2
70.61064	0.2
70.61400	0.1
71.04972	0.5
71.66113	0.1
72.08137	0.3
73.02914	0.1
79.01835	0.1
79.05473	0.2
81.03416	0.3
81.07029	0.3
85.02891	0.9
86.03210	0.1
91.05470	0.4
93.03384	0.3
93.06989	0.2
95.04942	0.4
95.08560	0.2
98.09660	0.1
105.03394	0.2
105.07021	0.2
109.02873	0.5
111.00783	1.5
115.48515	0.1
117.06993	0.2
119.08560	1.1
120.08159	0.1
120.08910	0.5
121.02843	1.6
123.04415	0.5
127.03912	0.3
128.54216	0.1
129.05437	0.2
129.06969	0.2
131.04897	0.1
135.04413	0.2
136.07513	0.2
137.02322	4.2
137.05966	0.1
145.02808	0.2
145.06474	0.3
149.02264	0.6
152.39726	0.1
153.01804	5.7
154.02145	0.1
155.04881	0.3
158.80058	0.1
159.04401	0.1
161.05952	0.4
163.03891	0.7
165.01819	2.6
166.02521	0.4
173.05980	0.6
177.05548	0.1
183.02850	1.1
183.04404	0.5
187.03853	0.4
191.03383	0.2
195.02870	0.3
201.05428	2.4
205.04878	0.3
211.03918	0.2
213.05450	0.3
215.03429	0.1
219.02838	0.3
219.06453	0.4
228.04271	0.3
229.04910	6.0
230.05263	0.3
246.05208	0.2
247.05943	0.8
257.04395	3.8
258.04797	0.2
274.04694	0.9
275.05347	0.3
285.03900	1.6
286.04480	0.2
287.05457	3.4
303.04932	100.0
304.05273	5.5
304.08795	0.3
343.20880	0.2
352.22644	0.1
370.23669	0.8
371.24075	0.8
388.24863	0.2
389.25037	0.5
434.49121	0.1
448.26749	1.0
449.10944	0.3
449.20914	0.1
449.27225	1.9
450.28180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10630	0.1
65.03921	0.1
68.99777	0.6
69.03406	0.3
69.43422	0.4
69.43814	0.2
73.29939	0.1
79.05470	0.2
81.07011	0.2
85.02876	0.3
91.05461	0.2
93.06980	0.2
97.06492	0.2
99.66948	0.1
105.03362	0.3
105.07003	0.2
107.04922	0.6
109.02857	0.5
109.06538	0.2
111.00810	0.8
111.04436	0.3
116.44058	0.1
120.80708	0.1
121.02842	2.8
121.06461	0.2
129.06981	0.3
131.44666	0.1
133.02811	0.5
137.02347	0.8
137.05930	0.2
147.04375	0.5
153.01801	4.1
157.06433	0.4
163.11151	0.3
164.11519	0.2
165.01836	1.8
171.04385	0.2
173.05890	0.1
174.09970	0.2
183.02826	0.9
185.05965	0.4
203.06950	0.2
213.05399	1.6
218.05789	0.1
228.13156	0.1
229.04860	0.1
231.06485	0.8
233.11703	0.2
234.12073	0.2
241.04909	1.0
245.04456	0.1
258.05243	1.3
259.05920	0.5
269.04312	0.2
287.05447	100.0
288.05774	5.5
303.04944	0.5
304.74557	0.2
449.10608	0.4
449.27179	0.3
450.28604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
68.99779	0.7
69.20328	0.7
79.05498	0.2
85.02898	0.2
86.09685	0.2
95.04929	0.2
97.57751	0.1
105.03374	0.6
105.21692	0.1
107.04932	0.4
109.02870	0.3
111.00784	0.8
121.02847	3.5
121.03757	0.2
133.02838	0.6
135.04378	0.2
137.02322	1.1
139.76633	0.1
145.06468	0.4
147.04362	0.8
150.20450	0.1
153.01794	5.4
155.53693	0.1
157.06477	0.4
161.05971	0.2
165.01807	2.0
171.04378	0.3
173.05946	0.1
183.02881	1.0
185.05984	0.5
189.05464	0.1
197.05910	0.2
203.03337	0.2
203.06970	0.2
213.05453	1.7
226.92358	0.1
231.06509	1.0
233.72412	0.1
241.04842	1.0
258.05219	1.4
259.05847	0.6
269.04495	0.2
287.05444	100.0
288.05786	4.9
299.10760	0.1
423.43127	0.1
449.10605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.52826	0.1
56.41390	0.1
61.02904	0.2
65.79897	0.1
66.17351	0.1
68.99780	0.7
69.03411	0.6
69.07034	0.1
69.87901	0.2
69.88243	0.3
79.05482	0.2
81.03402	0.3
81.07062	0.2
83.74397	0.1
85.02896	1.6
87.04428	0.2
91.05470	0.2
95.04959	0.3
97.02882	0.5
98.23410	0.2
105.03365	0.6
105.07015	0.2
107.04927	0.5
109.02856	0.5
111.00782	0.8
111.04414	0.3
121.02852	3.3
121.03781	0.2
127.03922	0.4
129.06990	0.2
133.02832	0.8
135.55023	0.2
137.02321	1.2
141.07002	0.2
145.04872	0.3
145.06461	0.3
147.04396	0.6
149.05948	0.2
153.01797	5.2
155.05949	0.1
157.06491	0.5
165.01816	2.3
171.04373	0.3
171.98949	0.1
175.20589	0.1
183.02878	1.1
185.05969	0.5
197.05905	0.3
203.07069	0.2
213.05411	2.0
229.04916	0.2
231.06479	0.7
241.04926	1.0
258.05194	1.5
259.05930	0.6
269.04297	0.3
270.05191	0.1
287.05441	100.0
288.05789	5.7
328.89914	0.1
329.06451	0.3
341.06866	0.1
413.08679	0.2
449.10648	1.9
450.10782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01883	0.1
58.06588	0.4
58.71811	0.1
65.03915	0.2
67.01853	0.1
67.05488	0.3
68.74620	0.1
68.99776	0.8
69.03414	0.4
69.34101	0.5
70.06570	0.1
71.04954	0.2
72.08125	0.1
77.03922	0.1
77.34720	0.1
79.05464	0.5
81.03391	0.3
81.07040	0.2
85.02895	0.6
86.03180	0.1
91.05486	0.3
93.07043	0.3
95.04982	0.2
95.08620	0.3
97.02862	0.3
98.09640	0.1
103.05481	0.1
105.03351	0.6
105.07018	0.2
107.04942	0.4
107.08604	0.1
108.08071	0.1
109.02867	0.4
111.00784	1.0
111.04416	0.1
114.09265	0.1
117.06981	0.1
119.08526	0.1
121.02852	3.7
121.03771	0.2
127.03920	0.3
129.06978	0.2
133.02821	0.6
135.04399	0.2
136.03926	0.5
137.02316	1.1
137.06026	0.1
139.42117	0.1
142.08618	0.2
144.09381	0.1
145.06468	0.3
147.04396	0.7
153.01804	4.6
157.06459	0.6
161.05977	0.3
164.07089	0.1
165.01811	1.9
168.06540	0.2
171.04410	0.2
175.03957	0.1
183.02856	1.0
185.05940	0.7
189.05519	0.2
197.05963	0.2
203.07057	0.2
212.27727	0.1
213.05431	1.8
229.05057	0.2
231.06453	0.7
241.04874	1.0
243.06386	0.1
247.28972	0.1
253.83926	0.1
256.06030	0.2
258.05161	1.3
259.05920	0.6
268.22580	0.3
269.04346	0.3
286.23795	0.6
287.05450	100.0
287.23685	0.5
288.05780	4.5
288.08423	0.1
385.29324	0.1
418.26089	0.2
432.27438	0.2
448.28821	0.4
449.10648	0.5
449.28711	0.4
450.28589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.1
55.05523	0.1
55.07061	0.1
56.36823	0.1
57.03425	0.2
58.06609	0.2
65.03919	0.2
67.05486	0.3
68.99780	0.6
69.03408	0.4
69.07047	0.1
69.22094	0.4
69.22505	0.2
70.06583	0.2
71.05007	0.3
79.05497	0.6
81.03397	0.3
81.07050	0.3
84.08122	0.1
85.02907	0.6
87.87688	0.1
91.05478	0.7
93.07020	0.4
94.69363	0.1
95.04943	0.3
95.08597	0.3
97.02875	0.4
99.38361	0.1
105.03369	0.9
105.07037	0.3
106.03688	0.2
107.04948	0.5
107.08620	0.2
109.02858	0.4
111.00768	0.9
119.04960	0.2
119.08528	0.2
121.02863	3.1
121.03770	0.2
121.10139	0.1
124.11224	0.1
127.03899	0.3
129.07033	0.2
131.08559	0.2
131.35701	0.1
133.02867	0.6
135.04407	0.1
136.07507	0.5
137.02303	1.1
137.05933	0.1
141.06935	0.2
145.06519	0.3
145.10081	0.1
147.04393	0.7
151.07520	0.6
151.08578	0.1
152.07944	0.2
153.01802	4.8
155.08557	0.1
157.06465	0.4
161.05977	0.2
164.07065	0.9
165.01825	1.8
169.06401	0.1
171.04376	0.3
175.03928	0.1
182.11761	0.3
183.02875	0.9
183.12135	0.2
185.05949	0.5
189.05487	0.1
197.06038	0.1
199.03833	0.2
203.03343	0.2
203.06972	0.2
213.05411	1.4
217.04910	0.2
229.04950	0.2
231.06456	0.7
241.04910	0.9
250.21622	0.1
258.05191	1.0
259.05939	0.3
268.22629	0.3
269.04413	0.3
269.23111	0.2
286.23706	1.3
287.05450	100.0
287.23853	0.8
288.05786	4.8
303.04993	1.2
340.19012	0.2
361.47476	0.1
372.21692	0.2
385.57425	0.1
418.26126	0.2
432.27362	0.2
448.28448	0.5
449.10825	0.5
449.20654	0.1
449.28305	0.7
450.29114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03930	0.5
55.01854	0.5
57.03419	0.6
58.06569	0.5
61.02919	0.9
65.03923	0.4
65.46325	0.2
68.99786	0.8
69.03420	2.6
70.00953	0.5
71.05004	0.4
73.02905	0.5
79.01912	0.2
79.05467	0.3
81.03420	1.6
85.02896	7.0
85.69914	0.2
86.09705	0.3
87.04436	0.3
90.51597	0.2
91.03922	0.4
91.05483	0.4
97.02880	3.1
99.04463	0.4
105.03378	0.7
107.04943	0.4
108.87946	0.2
109.02852	1.0
111.00768	1.2
119.04900	0.3
119.08572	0.7
120.08102	0.3
120.08873	0.3
121.02851	4.3
123.04478	0.2
127.03880	1.7
133.02829	0.5
137.02328	1.5
145.04945	1.2
145.06317	0.3
147.04379	0.5
148.03471	0.2
153.01816	6.1
157.06392	0.6
161.05983	0.3
163.03850	0.3
165.01805	3.0
171.04329	0.5
172.57256	0.2
183.02892	1.0
185.06026	0.7
185.67506	0.3
201.05501	0.4
213.05426	2.0
229.04893	0.7
231.06502	1.0
241.04883	1.2
257.04437	0.5
258.05206	1.0
259.06161	0.4
286.04834	0.3
287.05460	100.0
288.05801	5.4
303.04941	12.1
304.05270	0.5
370.23740	0.9
371.24109	0.4
448.26813	1.3
449.10587	0.8
449.27185	1.3
450.28613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.1
55.01843	0.1
55.05471	0.1
57.03399	0.1
58.06598	0.5
65.03916	0.2
67.01821	0.1
68.99472	0.1
68.99782	0.8
69.03403	0.2
69.24044	0.4
72.08106	0.4
73.08455	0.1
74.35448	0.1
79.05485	0.4
81.03374	0.1
85.02850	0.3
91.05427	0.3
93.03378	0.1
93.06987	0.2
95.04920	0.3
98.09655	0.1
103.05378	0.1
105.03368	0.5
105.06986	0.2
107.04943	0.6
107.08528	0.1
109.02849	0.4
110.09653	0.1
111.00786	1.0
111.01965	0.1
111.04401	0.2
117.06968	0.2
119.04948	0.1
119.08466	0.1
121.02849	3.7
121.03810	0.1
122.03158	0.1
127.03872	0.2
129.06931	0.2
133.02838	0.7
135.04362	0.2
137.02332	1.2
141.06926	0.3
143.08482	0.1
145.06442	0.4
145.10072	0.1
146.10384	0.1
147.04367	0.8
147.11583	0.1
151.07457	0.1
153.01804	5.6
154.02150	0.1
157.06456	0.6
161.05948	0.2
165.01805	2.5
166.02272	0.1
169.10060	0.1
171.02837	0.1
171.04349	0.3
175.03856	0.2
175.07599	0.1
183.01393	0.1
183.02884	1.3
183.12164	0.1
185.05962	0.7
189.05534	0.1
197.05968	0.2
199.03864	0.1
203.03308	0.2
203.07034	0.2
209.95576	0.1
210.12292	0.1
213.05429	1.9
217.04944	0.1
229.04852	0.2
231.06447	0.9
241.04883	1.2
245.04300	0.1
258.05215	1.4
259.06021	0.7
269.04343	0.3
285.03708	0.1
287.05447	100.0
288.05780	5.7
303.04926	0.8
317.06537	0.1
342.20435	0.4
343.20816	0.4
352.22531	0.2
353.23038	0.3
370.23779	1.4
371.24069	1.9
388.24994	0.5
389.25079	0.6
430.25507	0.1
431.26266	0.2
448.26877	2.3
449.10431	0.4
449.27216	4.0
450.28571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74758	0.9
53.03508	0.8
53.03925	1.6
54.68017	0.8
56.96530	0.9
57.03420	1.2
58.06584	2.9
61.02923	1.8
69.03423	6.3
70.06583	1.1
70.30097	0.9
70.56073	1.2
71.01358	1.1
71.04974	1.5
73.02921	1.5
73.76055	1.0
81.03398	7.4
84.08131	1.2
85.02891	14.3
85.77424	0.8
86.03257	0.9
86.04228	1.0
86.09692	1.2
92.31348	1.1
97.02878	37.1
98.97578	3.3
99.04444	9.9
103.03919	13.8
107.04943	9.7
108.05267	3.5
109.02847	6.4
116.58884	1.0
116.98626	2.1
121.06498	1.8
123.04372	2.1
125.02332	100.0
126.02664	2.0
127.03896	21.2
143.03375	98.1
144.03693	2.5
145.04932	9.2
147.07965	1.0
158.99673	1.1
161.05948	3.3
162.06410	1.2
163.06015	1.9
177.00729	1.5
187.05930	1.2
192.02888	3.3
237.02888	1.0
238.03453	3.2
238.41150	1.0
255.10194	1.2
256.10590	2.0
286.14310	2.7
287.05389	13.9
287.14688	4.7
372.21600	8.3
388.21231	2.3
389.21344	3.9
432.24069	1.7
448.23120	3.5
449.14432	16.8
449.19846	7.0
449.24063	4.3
450.15051	1.7
450.24869	18.5
459.81409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38462	1.2
56.67952	1.3
56.96563	3.1
61.02922	1.7
69.03415	2.7
73.02928	1.8
85.02898	4.5
97.02922	2.7
98.97598	5.1
107.04944	13.4
108.05281	4.1
110.97570	1.6
116.98652	2.5
126.05531	1.7
137.06018	1.7
158.99661	1.5
159.29781	1.7
161.05966	3.5
162.05429	8.3
163.06322	1.5
186.99107	1.4
189.71169	1.2
196.94489	1.4
198.01114	1.6
201.00723	1.8
202.89661	1.4
217.02548	1.5
219.01680	2.7
232.52635	1.4
237.02835	5.6
240.52203	1.6
256.10504	2.4
270.11191	7.6
275.04385	2.5
286.14404	3.4
287.05594	1.9
287.14719	5.7
293.05447	4.4
295.30020	1.9
326.55197	1.5
432.16470	7.9
449.14185	100.0
449.19885	14.0
450.14578	5.6
450.24902	4.2
453.03067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.9
56.96556	11.1
57.03408	1.8
58.06567	4.0
60.04494	1.5
64.80303	1.5
66.50616	1.4
69.03385	4.7
70.06567	1.5
71.45482	1.5
72.08104	2.3
74.06049	2.0
74.97573	3.8
83.31009	1.5
84.04478	1.8
84.08099	4.2
85.02859	3.4
86.09644	2.1
86.97567	1.3
87.04422	2.6
91.05455	1.7
97.02840	3.9
98.97582	19.1
107.04890	4.3
108.05229	1.8
110.97523	3.5
115.03885	3.1
116.98593	10.7
123.04409	2.2
127.03843	2.4
128.42599	1.7
128.98517	5.4
131.00047	1.9
133.04872	3.2
133.83421	1.3
134.99564	2.3
137.05858	1.8
143.00099	1.9
144.05132	1.5
146.99538	3.6
149.01154	1.9
158.99571	5.8
161.01155	2.7
164.07062	1.6
170.99577	1.8
171.03249	1.8
171.07518	1.6
177.00591	6.5
191.02217	1.8
201.00577	2.2
215.05704	2.3
219.01741	15.5
237.00523	1.9
237.02765	20.1
287.02423	1.8
287.05438	36.0
287.10672	2.0
287.14154	2.5
288.05515	2.8
291.03757	3.4
305.11844	2.8
317.09027	16.6
335.10126	15.9
340.13483	1.5
372.21466	3.8
387.15973	5.1
389.13986	3.7
402.22653	2.5
432.23819	14.1
449.13980	100.0
450.14404	3.4
450.24936	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03511	0.7
53.03943	0.9
53.77760	0.8
55.05255	1.0
55.05505	15.8
57.03400	0.8
57.07073	4.1
58.06586	3.2
62.91716	0.7
67.04662	0.7
67.05493	9.0
67.83755	0.7
69.07060	21.1
69.21176	4.3
71.08621	2.6
71.75007	0.8
72.08142	1.3
76.39642	0.8
79.05487	8.1
81.03397	1.3
81.07046	21.6
82.07407	0.7
83.04956	2.5
83.08611	16.2
84.08934	1.0
85.06535	3.3
85.10182	1.4
91.05471	7.3
93.07040	13.6
95.04958	4.2
95.08008	1.5
95.08595	19.5
97.06515	4.3
97.10148	7.9
105.03383	33.4
105.07019	11.2
106.03719	9.7
107.04989	1.2
107.08581	12.4
109.06475	1.1
109.10137	12.0
109.68169	0.7
111.08112	1.4
111.11707	2.4
115.03953	1.4
117.06992	2.2
119.08570	10.6
121.06498	0.9
121.10137	12.4
123.08090	1.0
123.11697	7.3
125.05983	2.2
125.13271	3.0
126.48738	0.8
129.06996	1.6
131.08578	5.9
131.30002	0.7
133.10117	10.7
134.36589	0.7
135.08049	1.4
135.11653	7.1
137.09651	1.0
137.13242	3.2
143.07021	11.4
143.08591	2.5
145.10107	4.6
147.11679	7.1
149.05957	68.7
149.13231	4.7
150.06296	28.9
151.14830	0.9
155.08499	1.0
157.10120	2.9
159.11670	6.0
161.09506	1.1
161.13222	4.5
163.11256	0.8
163.14807	2.6
165.16502	0.7
169.10167	1.2
171.11694	1.9
173.13249	3.1
175.14812	2.8
177.16325	1.5
181.10097	0.9
183.11722	1.2
185.13206	1.3
187.14859	2.6
189.16434	3.3
191.17960	1.0
193.12262	1.5
201.16336	1.7
203.17903	1.0
205.19348	1.1
207.13832	2.0
213.16280	1.1
215.17909	1.0
219.13750	1.3
221.15427	1.1
229.19543	1.7
241.15768	0.9
243.21098	0.9
247.17010	0.9
261.18335	1.7
269.22742	1.1
273.18442	0.9
287.05563	4.1
287.20154	1.9
289.21619	1.6
327.25165	4.0
327.30414	0.8
328.26202	1.9
329.24805	1.5
331.30005	2.0
353.32190	1.2
371.32996	1.4
387.32635	2.5
395.33423	1.2
405.34033	1.0
413.34103	4.9
431.35126	27.7
432.35620	1.4
449.28760	100.0
450.23141	1.8
450.29669	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	450.1758
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
56.96566	3.8
61.02911	1.9
69.03420	7.6
70.19401	1.5
70.19719	1.0
73.02908	1.7
81.03406	2.5
85.02898	13.1
86.09708	1.0
87.04473	1.7
91.05470	2.0
95.04950	1.9
97.02891	3.7
98.97558	7.5
99.04453	1.0
107.04941	38.8
109.02869	1.3
110.97581	2.0
115.02181	1.0
116.98618	3.6
118.06550	3.5
121.44598	1.0
122.06016	9.4
127.03913	2.6
128.98622	1.9
136.06198	4.2
137.05975	4.1
145.05046	1.7
146.05986	12.8
147.04373	1.8
152.07091	1.2
158.99701	1.2
160.05258	1.2
162.05482	100.0
163.06265	17.8
164.07042	16.4
172.94305	0.9
175.02646	1.2
176.07079	3.4
183.08167	1.7
189.04192	0.9
205.05562	1.3
207.08055	3.1
213.00737	1.0
214.95432	1.1
217.03757	1.6
219.01692	2.3
223.07574	2.4
232.96515	3.1
235.07387	4.5
237.02832	3.8
241.08611	2.7
253.08586	9.7
263.70950	1.0
268.09656	2.7
270.11212	64.4
270.92578	1.0
271.11713	2.4
274.97449	2.8
288.12259	5.4
292.98434	2.1
295.07007	2.0
317.99155	1.1
319.06796	1.3
346.04770	1.2
372.21866	1.6
432.16470	99.7
433.16827	7.7
443.70651	0.9
450.25677	5.0
451.12125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2481
Annotation	Caerunine
Peak:m/z	Relative Intensity
51.39346	0.5
51.88465	0.5
55.17893	0.5
57.03426	1.2
58.06340	0.7
58.06594	9.5
61.26144	0.6
64.89754	0.5
68.80950	0.5
69.03423	2.7
69.22768	3.2
69.87346	0.5
70.06562	1.2
71.04956	0.6
72.08130	2.9
73.02887	2.2
79.05464	1.3
81.07027	1.6
82.06544	0.5
84.08106	1.1
85.02898	4.0
86.03031	0.5
86.09690	0.5
87.04423	0.7
91.05448	2.5
93.07002	1.2
95.04933	1.1
95.08606	0.5
96.08118	0.8
97.02872	2.7
98.09644	1.1
105.06977	1.4
107.04945	3.3
108.08092	1.2
110.09634	2.4
111.04434	0.6
115.03919	1.3
117.07014	1.2
119.08566	1.0
121.06480	3.3
122.09618	1.0
124.11192	1.0
127.03881	1.5
129.06982	1.3
131.04887	0.7
131.08488	1.0
133.04884	0.9
135.10403	0.7
141.06969	0.9
143.08534	1.4
145.04880	1.7
145.06497	1.0
145.10103	0.7
155.08513	0.7
157.10049	0.8
160.11186	0.6
163.06177	0.7
167.08566	1.1
169.10078	1.3
171.07829	0.7
174.12733	0.6
181.10052	1.2
183.07994	0.8
187.07503	0.8
190.12094	0.7
217.08340	0.6
221.09645	0.6
233.13162	0.7
237.16371	0.6
252.13626	0.7
271.09525	1.0
287.05237	0.7
288.05646	1.9
288.08774	0.7
288.12054	1.3
298.17947	1.0
308.19861	1.5
310.21524	1.2
326.17242	1.3
326.20892	1.8
336.19226	0.8
344.18500	5.7
346.19949	1.2
354.16476	0.8
354.20529	9.7
372.21652	43.5
373.21909	3.9
390.22751	15.2
391.23010	1.0
417.52026	0.6
431.68100	0.6
432.23636	7.2
433.23959	0.9
450.24500	100.0
451.25031	10.4
453.92145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2483
Annotation	Caerunine
Peak:m/z	Relative Intensity
56.04995	0.6
56.96509	0.6
58.06541	10.6
58.06858	0.8
61.73819	0.4
67.05442	0.4
69.03359	0.5
70.84982	0.7
72.08087	0.5
79.05443	0.7
84.08063	0.9
85.02832	0.5
85.44520	0.4
87.93061	0.4
91.05425	1.4
94.06561	0.4
96.08100	0.6
98.09603	1.5
105.06957	1.7
107.04975	1.9
107.08517	0.4
108.05229	1.0
108.08061	0.5
112.11185	0.6
117.06966	0.7
121.06456	1.0
122.09647	2.0
128.06145	0.5
129.06987	0.8
131.08519	1.2
132.08026	0.8
132.92700	0.4
133.06395	0.4
141.06949	0.5
143.08499	0.6
145.06424	0.6
145.10094	0.5
147.08006	0.7
155.08519	0.5
157.10042	0.9
160.11171	0.6
167.08493	0.9
169.10074	1.0
179.08507	0.5
181.10034	0.9
183.11716	0.4
193.10075	0.7
204.10228	0.9
209.13203	0.6
219.01714	0.6
235.14716	0.4
250.76566	0.4
251.14230	0.4
282.18448	1.0
307.06854	0.6
308.20038	1.3
325.08041	0.5
326.21072	6.2
327.21536	0.6
328.18997	4.9
336.19626	0.5
344.21976	0.6
354.20605	1.2
372.21643	65.3
373.21945	4.7
386.23676	0.4
388.21155	0.6
390.22684	7.3
404.24268	0.6
432.23813	5.6
433.23965	0.5
450.24835	100.0
451.12045	1.3
451.17932	6.1
451.25177	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	450.2845
Annotation	Delpheline
Peak:m/z	Relative Intensity
56.05025	3.1
58.06592	15.4
67.05495	1.0
69.73343	1.3
69.73713	0.5
70.06593	0.4
71.04984	0.8
72.08154	3.7
79.05484	1.8
81.07042	0.9
84.08141	1.7
85.06581	0.5
91.05455	2.7
93.07059	2.1
95.04982	0.6
98.09678	6.1
102.09189	1.1
105.07014	2.2
107.04932	1.3
107.08579	1.1
108.08100	4.2
110.09651	0.5
117.06989	2.1
119.08612	0.8
121.06487	0.5
122.09667	1.4
123.04419	0.5
124.11224	1.6
128.06241	0.8
128.10735	0.7
129.06982	2.1
131.08556	3.2
133.10077	1.0
141.06996	1.7
143.08565	2.4
145.10127	1.4
146.91089	0.4
147.08008	0.7
154.12265	1.7
155.08531	1.9
157.10110	1.2
159.11703	0.9
164.71193	0.5
165.07037	0.8
166.07756	0.5
167.08582	1.2
168.09315	0.4
168.29156	0.4
169.10118	1.4
171.11693	0.9
179.08571	1.4
181.10161	1.5
183.11702	0.9
191.08542	0.7
192.09317	0.6
193.10069	0.9
195.11676	1.1
197.13202	1.1
205.10260	0.5
207.11736	1.1
209.13275	0.7
212.16493	0.4
219.11711	0.5
221.13152	0.6
222.18596	0.4
223.14868	0.5
225.12851	0.8
235.14890	0.9
237.16342	0.7
251.14377	0.6
253.15962	0.4
283.16956	0.4
287.05463	0.5
288.05872	1.1
340.22778	1.2
368.22287	0.8
386.23193	1.3
400.24884	1.7
411.81448	0.5
418.25854	21.8
419.26257	1.1
432.27460	3.6
450.28473	100.0
451.22806	0.8
451.28793	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	450.2845
Annotation	Tongoline
Peak:m/z	Relative Intensity
51.18691	0.3
56.05025	2.5
58.06594	15.0
59.05018	0.5
67.05504	1.0
69.36746	2.0
71.04976	0.6
72.08144	3.8
79.05480	1.5
84.08118	1.0
85.02903	0.8
91.05471	2.9
93.07027	1.4
95.04974	0.5
98.09686	7.0
102.09167	0.5
103.05475	0.7
105.07026	1.7
107.04951	0.7
107.08586	0.8
108.08102	5.1
109.06506	0.7
110.09720	0.5
115.05413	0.5
117.06989	0.9
119.08554	1.3
121.06443	0.6
122.09657	1.3
124.11192	2.1
128.06226	0.7
128.10703	0.9
129.06984	2.4
129.27869	0.4
131.08560	2.5
133.06505	0.7
133.10106	0.6
135.08032	0.5
137.05997	0.9
137.69580	0.4
141.06992	2.3
143.08557	2.8
145.06488	0.5
145.10139	0.7
153.06964	0.6
154.07748	0.5
154.12209	2.0
155.08556	1.8
157.10129	0.9
159.08063	0.5
165.07027	1.1
167.08572	1.3
169.10156	1.4
171.08006	0.5
171.11630	0.5
179.08556	1.1
181.10132	1.5
183.11694	1.1
185.09563	0.7
193.10126	0.9
195.11693	0.8
197.13264	1.1
199.02153	0.4
201.12550	0.5
205.09999	0.8
207.11667	1.3
208.41692	0.4
209.13297	0.5
217.10069	0.6
219.11662	0.6
220.16943	0.6
225.12961	0.5
230.11105	0.5
233.13251	0.9
235.14702	0.9
245.13298	0.7
247.14890	0.6
263.14163	0.4
263.51834	0.4
277.49759	0.4
283.16919	0.5
322.21628	0.5
340.22733	0.6
354.23993	0.7
372.25366	0.7
382.23557	1.0
394.41309	0.5
400.24698	2.1
414.26273	1.1
432.27408	27.3
433.27744	1.3
450.28458	100.0
451.28775	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	450.2847
Annotation	Delpheline
Peak:m/z	Relative Intensity
54.21457	0.5
56.05029	1.9
58.06593	18.3
60.08171	0.5
63.37252	0.5
63.98296	0.4
67.05498	1.4
69.03429	1.3
69.16066	0.9
69.16467	1.9
70.06590	0.8
72.08144	11.0
79.05499	1.6
81.07077	1.4
84.08134	3.9
85.02905	3.8
87.04475	0.6
88.07542	0.6
91.05482	3.9
93.07048	1.8
93.68822	0.5
95.04995	0.6
96.08144	0.9
97.02911	1.4
98.09689	6.8
100.11256	0.8
103.05453	0.9
105.07011	2.9
107.04980	1.8
107.08614	0.7
108.08105	1.2
109.06513	0.7
117.07024	1.5
119.04964	0.8
119.08609	0.7
120.08193	0.5
121.02882	1.3
121.06533	1.6
122.03186	0.5
122.09658	2.7
124.11269	1.2
126.01124	0.7
127.03929	0.7
129.07048	1.5
131.08551	2.6
133.04988	1.1
133.06551	1.1
133.10165	1.4
135.08095	1.9
137.06009	2.2
138.06314	0.5
139.68501	0.4
140.07059	1.1
141.07002	1.0
143.08598	2.2
145.04964	1.5
145.06525	0.8
145.10123	1.6
147.08122	1.1
149.09663	0.6
151.07568	0.5
153.01913	0.9
153.07019	0.6
154.02164	0.5
155.08563	1.9
157.10159	1.2
159.08101	0.7
161.09628	0.9
163.06050	0.7
165.01863	0.6
167.08580	1.3
169.10159	1.1
173.09796	0.7
175.11179	0.6
179.08609	0.8
181.10156	1.5
182.08168	1.3
183.11749	1.0
193.10211	0.9
195.11765	1.3
205.10196	0.8
209.13348	0.9
211.11420	0.6
218.10881	0.8
219.57152	0.6
221.13333	0.6
221.22566	0.5
233.13237	1.2
241.12201	0.6
243.15031	0.6
251.14326	0.7
269.15479	0.6
271.14273	0.6
287.05487	11.5
287.08508	0.6
288.05801	28.1
289.06149	1.4
326.21356	0.8
340.22668	0.7
344.22110	0.5
358.23648	2.7
368.22437	0.9
372.21527	1.9
376.25049	0.7
386.23483	0.7
390.22726	0.8
400.24716	4.5
418.25812	32.9
419.26028	2.4
432.23511	1.2
450.28625	100.0
451.29034	8.2
462.52609	0.6
464.15222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02564	1.8
55.01876	0.8
56.05037	1.4
57.03438	0.8
58.06592	100.0
58.30133	0.8
61.02920	1.3
67.05481	1.8
69.03423	5.4
69.54690	2.1
70.06573	1.4
71.04959	1.3
72.08121	3.2
73.02874	2.6
79.05434	2.4
81.03371	1.4
81.07010	0.9
82.06524	1.0
84.08061	2.5
85.02893	6.7
86.09620	0.7
87.04387	2.8
91.05461	4.5
93.06945	2.1
95.04884	1.1
95.08548	0.9
97.02883	4.0
98.09633	1.2
102.09094	1.3
103.05289	0.9
105.06896	3.4
107.04858	1.8
108.07990	1.8
109.02783	0.8
110.09592	0.9
115.03745	2.8
115.05240	0.9
117.06815	2.6
119.08416	1.6
121.06297	4.2
122.09538	1.3
127.03702	2.6
127.12695	0.9
128.06093	0.8
129.06750	3.1
129.10107	1.3
131.08286	2.6
131.09172	0.8
133.04713	3.9
133.09892	0.9
135.07852	1.4
135.08897	4.0
141.06834	0.9
143.08328	1.8
145.04741	1.5
145.06161	1.4
145.09859	1.2
147.07761	1.1
148.10912	0.9
152.27441	0.8
153.06693	0.9
155.08250	1.6
157.09839	1.4
159.07751	1.0
161.09355	0.9
165.06746	1.3
167.08157	2.5
167.09462	1.3
169.09773	1.3
179.08171	1.3
181.09683	1.9
185.09157	1.2
191.08130	1.1
193.09682	1.7
195.11188	1.1
203.07999	1.5
217.08023	1.1
221.12430	1.0
225.12296	0.8
233.12605	1.1
245.12466	0.9
251.13466	1.6
251.15709	1.0
265.14926	1.1
281.14505	1.1
281.17270	0.9
283.16132	0.9
288.04492	1.9
326.20035	1.2
344.17041	1.2
354.18680	6.1
354.23505	2.6
372.19568	9.9
372.24695	4.7
373.20059	1.2
390.20499	2.4
391.12814	1.0
432.20828	3.3
450.14120	2.8
450.16931	3.3
450.25766	43.9
450.32513	62.2
450.37085	6.2
451.22113	1.8
451.25934	2.6
451.32941	3.8
457.83612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.9
55.05513	5.4
57.03436	24.2
58.06603	7.6
59.05013	6.3
61.02937	4.5
62.76497	2.2
67.05515	13.5
69.03419	88.9
69.07067	7.0
69.20046	13.4
70.06584	2.6
71.04977	14.5
73.02919	5.8
74.83904	2.7
79.05502	6.4
80.78866	2.6
81.03423	7.1
81.07041	24.5
81.07410	2.1
83.05005	3.8
84.04504	2.8
85.02898	87.4
85.03401	5.1
85.06541	2.8
86.09728	7.4
87.04462	53.3
87.29307	2.6
91.03992	2.7
91.05502	6.3
91.32025	2.4
93.07056	9.8
95.04971	3.4
95.08609	7.9
97.02882	74.8
97.06519	12.6
98.06876	3.1
98.09699	3.1
98.23441	4.1
99.04456	4.6
100.28275	2.9
104.10744	16.3
105.03381	3.1
105.07066	11.8
107.04964	2.7
107.08630	7.3
108.08110	3.7
109.02875	7.1
109.06532	4.6
109.10198	5.1
111.04488	4.0
115.03914	90.8
117.07024	4.2
119.08617	5.0
121.06524	3.5
121.10175	5.2
123.08096	4.2
123.11742	11.8
125.00009	6.2
127.03967	11.2
131.08696	3.2
133.04951	97.3
133.10175	3.0
135.11694	3.4
143.08600	3.9
145.04919	21.8
145.10155	5.1
147.11781	3.2
150.07639	10.0
151.07587	2.9
154.12259	2.8
155.08664	2.8
163.03995	4.5
163.06068	4.8
166.00137	2.5
169.04977	3.2
171.08125	3.5
177.05516	3.3
183.11732	2.7
184.07451	11.5
207.13997	3.3
216.07520	4.6
241.07135	5.1
260.10046	4.2
274.10864	3.0
279.05301	2.5
290.14038	12.0
388.25098	6.9
420.27429	21.9
452.15024	2.9
452.20508	11.7
452.30145	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.5
58.06596	7.1
66.64649	0.4
67.05500	0.8
69.82803	0.8
69.83169	0.8
71.04996	0.5
72.08142	2.8
72.11704	0.4
79.05490	0.8
79.49179	0.3
81.07053	0.4
84.08149	1.0
86.09698	3.1
88.07626	0.6
91.05459	1.9
93.07062	1.2
94.74799	0.4
95.04972	0.7
96.08124	0.8
97.06573	0.4
102.09190	0.7
105.07061	1.2
107.04977	1.0
108.08106	4.3
110.09662	0.5
115.05450	0.7
117.07040	1.3
119.08609	1.2
122.09644	2.0
123.04484	0.5
124.11240	1.4
128.06239	0.5
129.07014	2.0
131.08629	1.4
134.09560	0.5
140.10703	1.3
141.07019	1.6
142.07903	0.4
143.08614	1.4
145.10202	0.7
147.08046	0.7
149.40747	0.3
152.10657	0.5
153.07010	0.4
154.12276	2.6
155.08582	1.7
157.10130	0.6
159.08092	0.8
165.07007	0.6
167.08623	0.9
169.10187	0.7
174.12869	0.7
178.07793	0.8
179.08606	0.8
181.10164	1.2
183.11745	0.8
191.08606	0.5
192.09422	0.5
193.10165	0.5
195.11806	0.5
198.12827	0.5
200.14424	0.7
205.10117	0.4
207.11662	0.6
211.11104	0.4
218.15401	0.6
219.11757	0.5
221.13228	0.4
227.10825	0.5
235.11229	0.4
249.13065	0.6
268.17108	0.4
312.19635	0.6
324.19647	0.6
342.20728	0.5
356.22409	0.8
374.23523	0.5
384.21863	1.4
390.22714	0.4
392.24417	0.4
398.23325	1.0
402.23337	0.7
416.24231	3.5
420.24152	1.0
434.25949	10.6
435.25858	0.6
452.26624	100.0
453.27014	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	452.2639
Annotation	18-Hydroxy-14-O-methyl-gadesine
Peak:m/z	Relative Intensity
54.42995	0.3
56.05022	1.2
58.06596	7.1
64.33372	0.3
67.05490	0.4
69.32718	1.5
70.06611	0.3
71.04976	0.5
72.08141	1.8
79.05479	1.1
80.52406	0.3
81.07056	0.4
84.08135	1.0
86.09689	1.3
88.07607	1.0
91.05470	1.8
93.07004	0.4
94.06551	0.5
95.04966	0.4
96.08112	1.0
98.09673	0.4
103.05435	0.4
105.07021	1.1
107.04961	0.9
108.08109	2.4
108.43945	0.3
109.19183	0.3
110.09650	0.6
114.09146	0.8
117.07012	1.5
119.08591	0.7
122.09703	0.5
124.11251	0.5
126.09126	0.5
128.06190	0.6
129.06998	2.2
131.08493	1.5
133.06461	0.4
137.06000	0.8
138.09148	0.8
140.10643	3.3
141.07005	0.9
143.08543	1.2
145.10088	0.5
147.08025	0.4
151.07663	0.3
153.06937	0.4
155.08557	1.4
157.10123	1.0
159.08081	0.9
161.09613	0.5
165.06998	0.4
166.07669	0.4
167.08598	1.0
169.10069	0.8
171.11723	0.6
173.09589	0.5
174.12796	0.5
175.07657	0.3
178.07791	0.4
179.08578	1.0
181.10144	1.1
183.11679	0.4
185.09604	0.4
185.11838	0.4
186.12772	0.4
193.10056	1.0
195.11748	0.7
197.13156	0.4
200.14337	0.9
203.08734	0.5
207.11694	1.1
209.13290	0.4
211.11018	0.4
213.12723	0.3
219.11732	0.4
221.13394	0.4
222.14891	0.5
223.11176	0.7
233.13295	0.7
235.10979	0.4
235.14699	0.4
241.12125	0.4
249.12772	0.6
267.13730	0.5
271.13345	0.4
294.19083	0.4
324.19510	0.6
326.20987	0.9
337.81226	0.3
338.21057	0.4
342.20599	0.5
356.22180	1.7
374.23309	0.9
377.68213	0.3
384.21649	1.5
386.23135	1.0
390.22623	0.9
398.23236	0.9
402.22775	0.6
416.24203	5.9
434.25443	13.7
435.25610	1.1
452.26404	100.0
453.26715	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	452.2638
Annotation	18-Hydroxy-14-O-methyl-gadesine
Peak:m/z	Relative Intensity
53.03943	0.4
55.26912	0.4
55.78748	0.4
56.05028	1.9
58.06596	7.2
63.47190	0.5
67.05514	1.2
69.40151	2.4
69.58368	0.5
70.06578	0.5
71.04986	0.5
72.08145	3.1
73.08921	0.4
76.44550	0.6
79.05486	1.5
81.07065	0.7
84.08126	1.2
86.09695	3.2
87.71521	0.5
91.05478	2.2
93.07029	0.9
96.08181	0.6
102.09179	1.3
105.07012	1.2
107.04946	1.0
108.08112	4.3
117.07026	0.9
119.05170	0.5
119.08562	1.2
122.09659	1.6
123.04486	0.6
124.11217	1.8
128.06137	0.5
129.07005	1.9
131.08571	1.4
134.09581	0.5
137.06018	0.8
140.10669	0.8
141.06978	1.3
143.08583	1.8
146.09610	0.6
152.10727	0.7
153.06889	0.5
154.12238	3.2
155.08595	1.7
157.10101	0.8
159.08067	0.7
165.06985	0.7
167.08566	1.3
169.06482	0.5
169.10088	0.7
171.11722	0.5
179.08504	0.6
181.06238	0.5
181.10146	1.3
183.11642	1.1
185.09621	0.6
186.12741	1.2
191.08427	0.6
193.10109	0.7
195.11720	1.0
197.09579	0.6
200.14439	0.5
202.12195	0.5
205.10185	0.9
207.11639	1.0
221.13304	0.7
223.11174	0.7
225.12724	0.6
255.01776	0.7
356.22192	1.0
374.23569	0.6
384.21805	2.0
398.23154	1.0
402.22943	0.6
416.24258	5.7
417.24554	0.6
420.23627	0.6
434.25525	11.3
435.26007	0.9
452.26428	100.0
453.26767	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	452.2639
Annotation	18-Hydroxy-14-O-methyl-gadesine
Peak:m/z	Relative Intensity
53.03941	0.3
53.68038	0.2
56.05031	3.2
58.06595	5.1
59.05000	0.3
60.39410	0.2
65.03920	0.2
67.05492	0.7
71.04979	1.4
71.29684	0.3
72.08150	0.7
75.04463	0.5
79.05473	1.4
80.05006	0.4
80.24395	0.2
80.87330	0.2
84.08155	0.5
85.02930	0.3
85.06551	0.2
86.09674	0.2
88.07618	0.3
91.05486	1.2
93.07014	0.3
94.06559	0.2
95.04935	0.4
98.09694	0.6
101.06046	0.3
102.09155	1.5
105.07051	0.6
107.04955	1.0
108.08109	4.9
109.02892	1.0
109.06512	0.5
111.04476	0.3
115.05456	0.5
117.07017	0.8
121.06471	0.4
121.08858	0.4
122.09646	1.9
123.08057	0.5
124.11227	0.8
125.02361	0.4
125.05941	0.4
127.03936	0.3
128.06203	0.7
129.06990	1.5
131.08549	1.5
135.08069	0.3
139.03876	0.3
141.06973	1.6
141.29836	0.2
143.08524	1.4
145.06450	0.3
145.10057	0.4
147.08044	0.3
152.10693	1.7
153.05507	0.3
153.06987	0.4
154.07755	0.3
154.12238	2.2
155.08521	1.6
157.10088	0.7
159.08069	0.5
160.11172	0.3
161.09610	0.4
165.05637	0.2
165.07024	0.6
166.12332	0.3
167.07278	0.3
167.08522	1.1
169.10138	0.7
171.08089	0.5
172.11203	0.3
173.09583	0.3
175.11139	0.3
178.07758	0.4
179.08595	0.9
181.10109	0.8
183.08066	0.5
183.11678	0.4
184.11163	0.4
185.09666	0.3
186.12779	0.5
192.09300	0.3
193.10208	0.8
195.08022	0.3
195.11734	0.4
197.09596	0.5
199.13545	0.3
203.08505	0.4
204.09247	0.3
205.10138	0.3
207.11722	0.6
209.09579	0.3
211.11101	0.2
212.14249	0.3
216.09192	0.3
218.15382	0.4
219.08241	0.3
219.11697	0.4
221.09578	0.4
223.11003	0.2
235.11021	0.3
338.17581	0.3
342.20761	0.3
358.19946	0.3
360.21951	0.2
368.85535	0.3
370.20108	0.8
374.19040	1.2
374.23572	0.4
384.21753	0.5
388.20972	0.5
402.22681	3.7
402.27927	0.3
406.22177	0.4
416.24146	0.4
420.23761	0.8
434.25339	22.2
435.25494	1.6
452.26379	100.0
453.20813	0.5
453.26740	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	452.264
Annotation	Anthriscifolcine E
Peak:m/z	Relative Intensity
54.47983	0.6
55.05504	0.8
56.05033	4.8
58.06590	19.4
61.02912	0.9
67.05494	1.3
71.01352	0.9
71.04978	3.0
72.08148	5.3
72.92165	0.6
72.98198	0.6
75.04444	0.8
79.05476	2.6
79.94901	0.8
81.07048	0.9
84.08138	1.6
85.06540	0.9
87.71243	0.7
88.07629	0.9
91.05459	4.3
95.04961	2.0
96.08089	1.1
98.09682	2.2
98.23458	2.6
100.11242	3.3
102.09192	4.4
102.09752	0.8
105.07052	1.9
107.04980	1.1
108.08112	9.8
110.09654	0.8
111.04446	1.1
111.78999	0.7
117.07000	2.1
119.04948	1.1
122.09643	4.2
123.04435	1.1
124.11213	3.3
128.06187	1.4
128.10687	1.5
129.07022	4.1
131.08559	3.3
137.05974	1.0
141.06970	2.3
142.07936	0.7
143.08548	3.5
145.10141	0.8
147.08116	0.8
148.11139	0.9
151.03903	1.0
152.10732	1.6
153.06992	1.2
154.12241	7.8
155.08543	2.7
156.09222	0.7
157.10107	1.7
159.08138	0.8
165.06998	1.9
166.07846	0.8
167.08600	2.6
169.10136	2.8
171.11696	1.6
172.11127	1.0
173.09604	0.8
174.12756	1.5
179.08496	2.9
181.10123	2.5
182.15460	1.4
183.11743	1.7
191.08531	1.1
192.09328	1.0
193.10112	1.7
195.11699	2.2
197.09502	0.9
203.08475	1.1
204.09235	1.0
205.10143	1.2
207.08101	0.8
207.11751	1.5
209.16420	1.1
210.14961	0.9
219.11707	1.6
219.16125	1.2
221.13211	1.7
223.11230	0.8
225.12704	1.8
247.11253	0.7
253.12228	1.3
265.12164	1.0
267.13727	1.3
268.29706	0.8
269.74603	0.9
300.19418	0.8
310.17957	1.1
314.17554	0.8
324.19681	0.9
338.21271	0.9
342.20502	3.8
356.22205	5.2
362.23251	1.9
370.23734	2.6
374.23218	20.3
375.23529	1.5
388.21085	1.3
388.24982	10.3
402.22348	1.9
406.25824	12.2
407.26645	1.4
420.23337	6.9
420.28406	12.8
421.28232	1.1
434.24954	1.0
435.33267	2.6
452.25748	67.7
452.30164	100.0
453.26086	4.5
453.30930	6.3
453.35135	1.4
472.60110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3
Annotation	Deoxylycoctonine
Peak:m/z	Relative Intensity
52.32724	0.3
56.05019	1.4
58.06596	5.7
61.02916	0.6
67.05489	0.7
69.32195	1.1
69.32603	0.9
71.04981	1.4
72.08147	3.6
75.04467	0.7
79.05479	0.8
84.08131	0.8
85.06526	0.5
85.29680	0.3
91.05453	2.2
91.34386	0.4
93.07050	0.7
96.08131	0.8
98.09686	1.0
98.23432	0.6
102.09164	3.1
105.07014	1.5
108.08115	3.5
114.09173	0.4
115.05437	0.6
117.06989	1.6
119.04904	0.3
119.08597	0.8
122.09631	2.0
123.04414	0.5
123.08022	0.4
124.11213	1.6
128.06226	0.6
128.10699	0.7
129.06989	1.4
131.08551	1.3
133.06447	0.5
134.09688	0.5
137.05945	0.7
141.06982	1.2
142.07828	0.5
143.08528	1.3
145.10124	0.6
152.10680	0.7
153.06967	0.6
154.12231	4.0
155.08545	1.6
157.10094	1.2
159.11719	0.6
165.06940	0.7
166.07761	0.5
167.08580	1.2
169.10121	1.0
171.11678	0.5
174.12859	0.7
179.08553	1.3
181.10110	1.4
183.11656	0.5
186.12758	1.1
188.14389	0.7
192.09352	0.6
193.10117	1.2
195.11714	1.0
197.13347	0.5
199.11180	0.4
205.10153	0.4
207.11694	0.5
219.11734	0.5
221.13345	0.4
225.12761	0.6
240.17409	0.3
249.12628	0.4
250.15851	0.5
267.13901	0.4
317.21652	0.4
324.19531	1.1
328.19025	0.9
338.21045	0.5
342.20746	0.5
356.22180	3.6
360.21539	0.5
362.23233	2.1
370.23755	1.4
388.24738	6.0
389.25089	0.9
396.59717	0.4
420.27423	11.7
421.27817	1.0
452.29999	100.0
453.30325	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	452.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.5
58.06593	10.3
59.06916	0.2
60.08139	0.4
61.02921	0.9
67.05495	0.6
69.13660	0.8
69.14064	0.3
69.56427	0.2
70.06577	0.3
71.01347	0.4
71.04986	1.1
72.08142	2.1
72.76029	0.2
73.67065	0.2
79.05482	0.9
80.05002	0.2
81.07044	0.7
82.06570	0.3
84.08138	1.2
85.02901	0.2
85.06528	0.3
91.05458	2.1
93.07046	0.5
94.06554	0.4
95.04962	0.5
96.08127	0.6
98.09695	1.4
102.09155	2.0
103.03951	0.4
103.05426	0.2
105.07027	1.0
107.04919	0.5
107.08595	0.2
108.08092	3.4
109.06503	0.2
109.08928	0.2
110.09679	0.7
111.04471	0.2
114.09142	0.3
115.05485	0.2
117.06997	0.9
119.04917	0.4
119.08570	0.4
121.06493	0.4
121.08894	0.3
122.09652	3.6
123.04388	0.8
123.08033	0.3
124.11229	1.9
127.05473	0.2
128.06194	1.8
128.10712	1.1
129.06987	2.0
130.07791	0.3
131.08554	2.1
134.09654	0.3
135.08035	0.3
137.05972	0.9
140.10684	0.5
141.06958	1.2
142.07758	0.4
143.08545	1.4
145.10129	0.5
146.09668	0.3
148.11235	0.3
149.12088	0.2
151.07590	0.3
152.10649	0.9
153.05521	0.2
153.06895	0.4
154.07806	0.4
154.12250	6.6
155.07358	0.2
155.08511	1.1
157.10100	1.2
158.09641	0.4
159.08031	0.2
160.08765	0.3
160.11218	0.4
161.09625	0.4
165.07002	0.6
166.07776	0.5
167.08521	0.9
168.09288	0.2
169.10098	0.9
172.11255	0.5
173.09552	0.2
173.98146	0.2
174.12758	1.8
178.07733	0.3
179.08546	0.7
180.09348	0.4
181.10097	1.1
183.11688	0.6
185.09644	0.4
186.12750	0.7
187.11174	0.4
187.13553	0.5
188.14391	0.8
192.09337	0.3
193.10059	1.1
195.11703	0.9
197.09616	0.4
197.13318	0.4
201.12752	0.3
203.08658	0.2
204.13841	0.3
205.10126	0.5
207.11678	1.0
209.09787	0.2
211.11256	0.2
212.14333	0.3
213.12753	0.3
214.15910	0.3
217.10008	0.3
218.10864	0.2
219.11673	0.3
219.16194	1.0
220.16905	0.4
221.13300	0.7
223.11179	0.4
224.14265	0.2
225.12770	0.2
226.15860	0.2
233.13220	0.4
249.12776	0.4
267.13675	0.3
281.15366	0.4
306.18356	0.3
310.18024	0.3
324.19501	1.0
328.19095	0.6
328.22607	0.2
338.20990	0.5
356.22141	4.7
360.21582	0.2
362.23175	1.9
370.23575	1.2
388.24759	13.5
389.25192	0.9
402.26172	0.3
420.27399	7.9
421.27621	0.6
452.30017	100.0
453.30331	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	453.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	0.9
56.96558	13.6
58.06580	1.8
58.06857	0.6
69.55770	2.1
71.45346	0.6
72.08143	0.8
74.58380	0.6
80.26913	0.5
84.96024	6.9
97.96852	0.9
98.97569	46.3
107.04942	0.7
108.08078	0.6
110.97561	12.6
111.16982	0.6
112.99131	1.6
116.98610	13.4
124.99116	2.5
126.97032	0.7
128.98587	10.9
131.00157	1.3
134.99640	2.2
140.98593	4.3
143.00142	8.5
144.98091	3.0
146.99611	3.6
149.01335	0.5
152.98587	7.4
155.00127	1.6
157.98888	0.7
158.99625	8.1
159.03294	0.9
161.01192	4.4
162.99115	1.2
170.99635	8.8
173.01286	0.8
177.00711	5.5
177.04187	0.6
179.02263	0.6
182.99693	0.8
189.00656	5.8
195.01642	0.6
201.00630	3.6
201.04385	0.9
207.01889	0.7
213.00597	1.6
218.99614	1.1
219.01736	20.9
223.96727	0.5
231.01781	1.8
237.02766	25.5
255.01599	0.9
255.03952	1.0
261.06372	5.5
279.07468	66.8
280.07825	2.5
297.08502	13.4
308.90387	0.6
375.09564	1.6
392.24194	0.7
393.10596	100.0
394.11032	5.3
411.06207	1.2
411.11652	14.5
412.11960	1.0
452.26474	3.8
453.12827	5.5
453.26794	4.9
454.28647	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	1.0
56.96563	2.3
58.06599	6.9
59.04971	0.6
60.73420	0.5
67.05470	0.5
68.05000	0.5
69.03396	0.7
69.21219	2.5
70.06548	1.7
71.01321	0.4
71.04961	0.9
71.48360	0.5
72.08115	1.7
72.08475	0.4
79.05461	1.6
84.08144	2.6
85.02867	1.8
86.09695	2.3
88.07604	0.7
91.05432	1.8
93.06995	0.8
94.06540	0.5
96.08087	1.9
98.09659	0.6
98.97592	2.9
102.09167	0.4
105.06979	1.7
107.04932	7.4
108.08120	3.3
108.14045	0.5
109.22480	0.4
110.09654	0.5
110.97496	0.7
112.07563	1.0
116.98547	1.3
117.06980	1.1
121.02798	0.9
122.09628	1.3
124.01708	0.6
126.09127	0.5
128.06163	0.9
128.98502	0.8
129.06932	2.1
131.00113	0.6
131.08501	1.7
134.09584	0.7
134.99590	0.5
136.03951	0.5
138.09108	0.6
140.10645	0.6
141.06908	1.3
143.00137	0.8
143.08481	1.3
145.06430	1.1
147.07953	0.6
155.08521	1.1
157.06429	0.9
159.07986	1.0
160.11183	0.9
161.01118	0.8
162.08965	0.5
163.03831	1.0
165.06900	1.1
167.08473	1.1
169.06445	0.5
169.10069	0.9
172.11189	0.7
178.07677	0.6
179.08510	1.3
181.10046	0.9
183.08028	0.9
186.12593	0.5
191.08455	0.9
191.76871	0.5
193.10060	1.4
195.07964	0.7
197.09537	0.8
199.11066	0.8
202.12152	0.6
203.08507	0.7
207.08025	1.0
209.09491	1.2
219.01675	0.8
221.09454	1.3
223.10999	0.7
225.09001	0.8
228.13760	0.6
237.02745	0.8
247.11125	0.5
273.02609	1.3
274.14359	1.0
274.97470	0.5
280.13333	0.6
310.17877	0.5
340.18781	0.8
342.16678	1.6
356.18469	0.8
358.19946	1.1
360.17725	1.4
366.18741	1.5
368.18085	0.6
372.17593	1.1
376.21136	0.6
382.19965	0.5
386.19385	2.8
390.22446	1.4
392.20334	1.0
400.20773	2.1
404.20499	5.6
418.22192	3.9
422.20990	1.4
422.25153	1.7
426.70731	0.5
436.23196	9.0
437.23224	0.9
454.23923	100.0
455.24454	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	454.2799
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
55.24543	0.4
55.88867	0.4
56.05023	1.0
58.06597	7.9
61.02922	0.9
67.05498	0.7
70.56365	0.7
71.04987	1.1
72.08165	2.5
75.04503	0.3
79.05493	1.4
80.05011	0.4
84.08149	2.1
85.02914	0.5
86.09708	0.9
88.07630	0.4
89.88887	0.3
91.05475	1.6
95.04970	0.5
96.08145	1.8
98.09705	0.9
98.23435	0.4
102.09141	0.5
105.04485	0.3
105.07020	1.0
107.04948	5.9
108.08101	4.1
109.06537	0.5
110.09736	0.6
112.07597	0.6
115.05471	0.7
117.07000	1.4
119.08585	0.7
121.06507	1.0
122.09660	2.0
124.11249	1.2
126.09183	0.7
128.06229	1.4
129.07022	1.4
130.87135	0.4
131.08591	1.6
132.08934	0.4
133.10176	0.5
134.09648	0.5
135.04419	0.6
137.05994	0.5
138.09145	1.0
140.10696	1.6
141.06953	0.7
141.11095	0.4
143.08588	1.2
145.06473	0.8
145.10133	0.7
147.08009	0.8
152.10771	0.7
153.05449	0.5
154.12221	2.8
155.08586	1.6
157.06519	0.6
159.08075	0.6
160.11183	0.5
163.03926	1.5
165.07059	0.7
166.95863	0.4
167.08549	1.2
169.10071	0.7
171.08113	1.0
172.11215	0.6
173.09511	0.4
174.12750	0.8
178.07794	0.4
179.08534	0.8
181.10172	0.7
184.11211	0.4
185.09598	0.6
186.12746	0.8
188.14282	0.6
193.10118	1.0
195.08170	0.4
195.11803	0.5
197.09647	0.6
198.12923	0.4
204.13901	0.4
205.10146	0.8
209.09695	0.5
211.11194	0.5
219.11700	0.6
220.16978	0.7
237.12877	0.4
238.15932	0.5
246.14967	0.6
260.16544	0.7
269.17795	0.4
274.99243	0.5
279.70001	0.4
293.15860	0.4
340.19147	1.1
344.22168	0.8
354.20761	0.6
372.21555	3.9
380.25385	0.4
386.23245	0.9
390.22556	4.1
404.24500	2.9
405.24994	0.5
422.25330	12.9
423.25601	0.9
436.26944	3.7
454.27988	100.0
455.21268	1.1
455.28198	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	454.2797
Annotation	Delectinine
Peak:m/z	Relative Intensity
52.48166	0.2
54.22098	0.3
56.05033	1.3
56.96027	0.3
58.06596	5.9
59.05002	0.3
61.02911	1.1
64.89811	0.2
67.05481	0.8
69.44316	0.9
71.01331	0.7
71.04979	1.2
72.08147	2.7
77.03928	0.3
77.80754	0.3
79.05487	1.6
80.05021	0.4
81.07052	0.4
83.04961	0.3
84.08141	1.9
85.02898	0.4
86.09702	1.6
88.07635	0.3
91.05494	1.7
93.06993	0.4
94.06579	0.5
95.04964	0.7
95.30505	0.3
96.08138	0.7
97.06518	0.4
98.09679	0.9
102.09170	2.1
103.03917	0.3
103.53516	0.2
105.07027	0.9
107.04939	10.5
107.08620	0.4
108.08109	6.7
110.09673	0.5
114.09122	0.5
117.07011	1.0
119.04910	0.4
119.08593	0.3
121.02843	1.0
121.06475	0.7
122.09647	1.4
124.11218	0.7
125.05978	0.6
127.24805	0.3
128.06218	0.7
128.10716	0.5
129.06981	1.6
131.08574	1.4
133.10095	0.4
134.09676	0.3
135.04417	0.3
135.08008	0.4
140.10678	0.3
141.07002	0.6
143.08569	1.8
145.06508	0.5
145.10052	0.6
146.09662	0.3
147.08017	0.4
152.10713	0.9
154.12245	1.6
155.08569	0.7
157.06422	0.4
157.10083	0.6
158.09711	0.4
159.08078	0.7
160.11098	0.6
161.09660	0.3
162.12675	0.3
162.29817	0.3
163.11131	0.3
165.07008	0.6
166.07704	0.4
167.08556	1.2
169.06511	0.3
169.10088	0.6
169.62779	0.3
171.08032	0.6
172.11203	0.5
174.12785	0.7
178.07828	0.4
179.08551	0.9
181.10074	0.8
185.09676	0.3
186.12764	0.9
188.14362	0.8
190.12212	0.3
191.08569	0.7
193.10147	1.1
195.11734	0.8
197.09607	0.5
199.47188	0.3
202.12265	0.7
203.08702	0.3
205.10135	0.9
207.11697	0.5
209.09621	0.6
211.11192	0.4
214.12186	0.3
215.13072	0.4
219.11742	0.5
220.16907	0.6
221.09776	0.3
222.12752	0.3
223.11145	0.4
231.11888	0.4
235.19203	0.3
236.14377	0.4
237.12735	0.4
238.15895	0.4
239.10603	0.4
260.16516	1.3
265.12122	0.6
279.13712	0.3
297.14749	0.6
322.18124	0.6
326.17703	0.3
326.21368	0.3
354.20694	1.5
372.21545	0.7
376.21149	0.4
386.23248	2.5
404.24271	4.4
418.25787	0.9
436.26898	20.5
437.27310	1.7
454.27951	100.0
455.28305	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	454.2794
Annotation	Delectinine
Peak:m/z	Relative Intensity
54.46991	0.3
56.05025	3.3
58.06594	7.4
61.39714	0.4
67.05483	0.7
69.88479	1.1
71.04982	1.6
72.08142	0.8
73.22263	0.3
75.04449	0.4
79.05487	1.4
84.08141	0.5
91.05474	1.5
93.07032	0.5
95.04946	0.4
98.23344	0.5
102.09142	0.6
105.07000	0.8
107.04933	0.6
108.08092	3.8
108.84509	0.4
109.02853	0.6
115.05403	0.5
117.06965	1.0
119.04975	0.4
121.06492	0.5
122.09680	1.4
124.11259	0.6
127.03859	0.4
128.06160	0.5
129.07019	1.6
131.08582	1.3
141.06924	0.9
143.08560	1.4
145.10143	0.6
147.08015	0.4
152.10680	0.9
153.06981	0.6
154.12250	2.3
155.08549	1.1
157.10078	0.9
165.07011	0.5
166.07794	0.4
167.08574	1.1
169.10135	0.8
171.07999	0.7
178.07826	0.6
179.08585	1.2
181.10207	0.5
193.10132	0.5
195.11734	0.9
203.08665	0.6
205.10097	1.0
207.11618	0.5
209.13174	0.5
219.11737	0.5
231.11839	0.5
233.13441	0.5
372.21573	0.8
376.21152	0.6
386.23224	1.1
390.22586	0.5
404.24252	3.1
418.25742	0.8
436.26892	19.6
437.27283	1.3
454.27933	100.0
455.28210	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	454.2797
Annotation	Delectinine
Peak:m/z	Relative Intensity
52.69793	0.4
56.05032	2.7
58.06599	7.3
60.62938	0.4
67.05484	0.5
69.03402	0.5
69.52126	0.8
71.04987	1.5
72.08140	1.6
79.05488	1.5
80.05004	0.5
84.08125	0.7
85.02897	0.6
88.07647	0.6
91.05472	1.5
93.07052	0.7
95.04948	0.6
98.09673	0.6
102.09171	0.9
105.07013	0.8
107.04971	0.8
108.08112	4.3
117.07030	1.0
121.06480	0.5
122.09648	1.0
123.04427	0.5
124.11187	0.9
125.09612	1.9
128.06227	0.7
129.07004	2.0
131.08594	1.3
137.23323	0.4
141.06987	1.0
143.08563	2.1
145.10153	0.7
152.10748	0.9
154.12263	2.5
155.08510	1.8
157.10146	0.9
165.07065	0.7
167.08553	1.7
169.10085	1.1
173.09625	0.4
174.12712	0.6
179.08595	0.6
181.10133	0.9
184.11098	0.5
185.09775	0.5
188.86197	0.5
193.10115	1.1
195.11713	0.5
205.10149	0.8
207.11699	0.5
209.09555	0.6
235.11322	0.4
249.12582	0.5
344.18341	0.6
354.20447	0.8
358.20059	0.9
360.21521	0.5
372.21817	1.3
376.21353	1.0
386.23193	1.1
390.22699	0.7
404.24353	3.8
418.25842	1.1
422.25381	1.6
436.26941	13.9
437.27383	0.9
454.27966	100.0
455.28320	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	454.2794
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
56.05018	0.8
58.06596	5.0
61.02900	0.8
67.05477	0.4
69.33968	1.1
71.01353	0.4
71.04981	1.5
72.08135	1.1
75.04465	0.3
75.84151	0.3
79.05473	0.9
81.07057	0.5
84.08139	1.5
86.09695	0.3
91.05457	1.3
93.07038	0.6
95.04983	0.5
96.08122	0.4
96.94077	0.3
97.06490	0.4
102.09175	0.9
105.07018	1.3
107.04932	2.6
108.08109	2.4
109.06499	0.5
110.09675	0.5
112.07590	0.6
114.38393	0.3
115.05495	0.4
117.07012	1.0
119.08521	0.5
121.08874	0.4
122.09652	1.1
123.04442	0.6
128.06236	0.4
129.06987	1.3
131.08546	0.8
133.06491	0.5
135.08099	0.4
137.06000	0.8
138.09120	0.6
141.06973	0.9
143.08534	1.2
145.06454	0.6
146.09627	0.4
147.08041	0.4
152.10704	1.1
154.12300	0.6
155.08531	1.0
157.10097	0.6
158.09653	0.7
159.08040	0.5
160.11256	0.8
165.07002	0.4
167.08521	0.9
168.10193	0.5
169.10121	0.8
171.08058	0.5
172.11174	0.7
173.09648	0.4
174.41861	0.3
175.07449	0.4
178.07736	0.7
179.08571	0.8
181.10124	1.0
184.11185	0.4
185.11949	0.4
186.12782	0.8
190.12195	0.5
191.08589	0.7
193.10124	0.8
195.11658	0.4
197.09607	0.5
198.12820	0.3
199.13359	0.4
202.07744	0.4
202.12173	0.3
204.09311	0.4
205.10127	0.6
207.11671	0.5
209.09537	0.7
210.12755	0.3
218.15300	0.4
219.11662	0.7
223.11121	0.4
235.11058	0.4
236.14371	0.4
264.19293	0.3
265.12158	0.3
292.16675	0.4
322.17902	0.6
326.21121	0.5
328.18814	0.3
336.19308	0.4
340.19019	0.4
342.20685	0.4
346.20108	3.3
354.20557	1.7
360.21603	0.8
368.22076	0.3
372.21814	1.2
378.22830	0.5
386.23175	2.8
387.23282	0.3
390.22681	0.9
400.24719	0.3
404.24219	3.1
418.25745	4.1
419.26215	0.8
422.25232	3.0
436.26917	6.6
437.27277	1.1
454.27933	100.0
455.28244	9.1
455.34402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2794
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
54.99368	0.3
55.83968	0.4
56.05009	0.7
56.10511	0.3
58.06363	0.4
58.06597	3.4
67.05486	0.7
69.49443	1.4
71.04960	0.4
72.08147	1.0
75.04467	0.6
79.05500	0.7
84.08133	1.1
85.02899	0.6
86.09699	0.4
88.07650	0.6
91.05453	1.5
93.07040	0.8
95.04927	0.5
96.08102	0.6
98.09727	0.4
98.22740	0.8
100.07603	0.4
102.09199	0.6
105.07055	1.0
107.04938	1.5
108.08103	1.9
109.06495	0.5
116.22843	0.4
117.06979	0.7
121.06466	0.5
121.37613	0.4
122.09669	0.8
129.06979	1.2
131.08531	0.5
137.05948	0.7
138.09047	0.4
141.06982	1.0
143.08553	1.0
145.06473	0.4
145.10141	0.4
152.10651	0.8
154.12263	0.6
155.08560	0.9
157.10011	0.5
158.09723	0.5
159.08087	0.5
164.59995	0.4
167.08496	0.6
169.10095	0.7
172.11255	1.0
174.12679	0.4
179.08545	1.2
181.10086	0.6
182.11746	0.6
184.11139	0.5
185.09634	0.7
186.12781	0.5
191.08583	0.7
193.10112	0.7
195.11674	0.6
197.09579	0.4
202.12299	0.6
203.08453	0.5
205.10118	0.6
209.09525	0.4
210.12570	0.4
216.13832	0.6
217.10098	0.7
310.18021	0.6
322.18240	0.6
328.18988	0.5
332.17361	0.4
340.19141	0.5
346.20175	1.5
354.20560	0.7
358.20078	1.0
372.21707	2.4
386.23267	1.0
390.22650	1.9
404.24237	6.2
405.24463	0.4
422.25375	3.9
436.27151	3.9
454.27979	100.0
455.28296	8.1
462.38986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2794
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
52.06417	0.2
53.03944	0.3
56.05020	1.0
56.12960	0.3
56.96548	0.4
58.06590	5.9
61.02913	1.2
67.05489	0.5
68.05021	0.5
70.06592	0.3
71.01355	0.4
71.04977	0.8
72.08147	2.2
79.05493	1.6
81.07027	0.3
82.06577	0.3
83.04970	0.3
84.08139	2.4
85.02895	0.9
86.09685	1.0
88.07618	0.5
90.32437	0.2
91.05458	1.7
93.03448	0.3
93.07043	0.6
95.04916	0.3
96.08098	2.1
97.06481	0.2
98.09695	0.6
98.97575	0.5
102.09154	1.0
102.09797	0.3
103.03946	0.5
103.05417	0.2
105.07037	1.4
106.06581	0.3
107.04937	9.4
108.08112	2.7
109.06541	0.4
110.09676	0.6
110.97629	0.3
112.89594	3.3
114.09148	0.4
115.05432	0.6
116.98696	0.3
117.07019	0.8
119.04948	0.4
119.08527	0.4
121.02857	0.9
121.06506	0.5
122.09676	0.7
125.05979	0.4
126.09151	0.9
128.06212	1.0
129.07008	1.6
131.08574	1.1
133.06430	0.3
133.10054	0.4
134.09679	0.3
135.04401	0.5
135.08069	0.3
137.05954	0.6
138.09126	0.5
140.10681	1.3
141.06937	0.7
143.08501	1.3
145.06485	0.4
146.09633	0.3
147.08054	0.4
149.09683	0.3
153.07004	0.3
154.07700	0.3
155.08549	1.0
157.06503	0.4
157.10155	0.3
158.99660	0.3
159.08072	0.6
160.11238	0.4
161.09695	0.3
162.05525	0.5
163.03900	1.0
165.07002	0.7
166.07756	0.4
167.08539	1.2
169.10080	0.6
171.08112	0.5
172.11209	0.5
174.12808	1.1
178.07826	0.5
179.08534	0.9
181.10115	0.6
183.08076	0.5
185.09424	0.4
186.12726	0.5
188.14403	0.3
189.09091	0.3
191.08606	0.4
193.10127	0.6
195.11708	0.6
197.09589	0.6
202.12241	0.5
204.10147	1.1
205.10144	0.7
206.15424	0.5
207.11734	0.7
210.12770	0.3
211.11111	0.3
216.13707	0.3
219.11682	0.4
221.09790	0.3
221.13432	0.3
224.14285	0.3
235.11096	0.3
237.02760	0.4
238.15945	0.6
239.10666	0.4
246.14897	0.6
251.14404	0.4
267.13791	0.3
288.33667	0.2
310.18011	0.5
322.17679	0.4
324.19672	0.4
328.18890	0.3
340.19028	0.9
342.20813	0.8
354.20749	1.0
372.21622	2.5
373.22058	0.4
386.23224	0.5
390.22626	1.8
404.24500	1.7
422.25327	17.6
423.25665	1.9
436.23337	0.5
454.28021	100.0
455.11621	1.8
455.21976	0.6
455.28311	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	454.2798
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
55.05505	0.3
56.05021	0.8
58.06592	6.2
59.04988	0.3
61.02913	0.6
61.67494	0.3
67.05498	0.3
68.05017	0.3
69.67693	1.1
70.33746	0.3
71.04987	0.8
72.08154	2.0
73.91639	0.3
75.04450	0.4
79.05472	1.1
80.04987	0.4
82.06580	0.3
84.08131	1.5
85.02904	0.6
86.09692	0.9
88.07626	0.5
91.05478	1.4
93.07057	0.4
95.04987	0.6
96.08128	0.5
97.06499	0.3
98.09702	0.6
102.09165	1.3
105.07046	0.8
107.04945	4.3
108.08099	3.3
114.09172	0.4
115.05460	0.7
117.06994	0.9
119.04967	0.3
119.08569	0.4
121.02860	0.5
121.06440	0.4
122.09674	1.0
123.04436	0.3
124.11203	0.4
128.06212	0.8
128.10799	0.3
129.07011	0.9
131.08595	1.4
133.06430	0.4
135.08080	0.4
137.05937	0.7
138.09111	0.7
140.10747	0.6
141.06969	0.7
143.08531	1.1
145.06497	0.9
145.10088	0.3
146.09665	0.4
147.08081	0.3
152.10686	0.3
153.06952	0.5
154.07690	0.3
154.12320	0.6
155.08528	0.9
157.10146	0.8
159.07974	0.4
161.09644	0.3
165.07037	0.7
167.07227	0.4
167.08507	0.8
169.10085	0.8
171.08041	0.5
172.11223	0.7
174.12807	0.4
177.80341	0.3
178.04958	0.6
178.07727	0.4
179.08524	0.6
180.09348	0.3
181.10068	0.5
184.11058	0.3
186.12772	0.5
191.08525	0.4
192.09276	0.5
193.10126	1.2
195.11673	0.6
197.09688	0.3
200.14378	0.3
202.12227	0.6
203.08510	0.4
204.13817	0.5
205.10110	0.7
206.04549	0.5
207.08028	0.3
207.11653	0.7
209.09576	0.4
211.11172	0.4
219.11711	0.7
221.09714	0.3
223.11148	0.6
235.16389	0.3
237.12698	0.5
238.16075	0.4
239.10774	0.6
249.12727	0.5
260.16446	0.4
265.12192	0.4
322.17972	0.7
340.19101	0.5
342.20636	0.6
346.20029	0.7
354.20615	1.3
372.21729	2.1
386.23285	1.5
390.22739	0.6
404.24271	5.0
418.25278	0.7
422.25195	1.8
436.26920	10.2
454.27924	100.0
455.28244	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	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.71200	0.5
55.05499	3.0
57.03435	2.9
57.07071	23.7
62.06085	24.7
62.39089	0.5
67.05493	5.3
69.07059	4.0
69.23156	2.0
71.08625	15.8
79.05486	0.9
81.06603	0.8
81.07047	6.0
83.08624	4.8
85.10176	9.1
89.06029	1.1
93.07063	1.0
95.08598	8.8
97.10151	2.4
98.98461	7.0
109.10159	3.3
123.11670	1.4
124.01598	1.6
137.13264	0.8
142.02614	1.3
155.01031	7.3
173.02168	0.9
198.05267	1.9
216.06310	1.8
239.23714	1.9
263.57202	0.6
282.27878	12.8
283.28210	0.7
313.27332	100.0
314.27719	6.0
393.24023	4.5
436.28043	1.7
454.28210	2.0
454.36526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33484	0.7
55.05498	2.4
57.07069	35.5
57.38404	0.7
62.27452	0.7
67.05505	0.9
69.07057	1.6
69.64936	2.6
71.08621	25.9
73.06552	5.2
83.08601	2.2
85.10172	19.2
87.04469	2.4
89.06020	100.0
90.06341	1.3
91.07574	1.3
95.08606	0.6
97.10158	2.7
99.11712	4.2
107.07070	2.6
113.13265	1.4
117.09098	3.5
130.08621	0.8
133.08592	42.4
155.17961	4.0
161.11789	0.7
177.11206	15.6
178.11618	0.8
193.59984	0.7
195.12254	2.0
199.20590	4.7
221.13870	1.3
239.14934	2.3
243.23169	7.2
247.39189	0.7
266.64978	0.7
283.17468	12.5
283.20465	0.9
287.25842	3.0
326.97147	0.7
380.95624	0.7
400.76843	0.8
402.13361	0.8
437.34677	12.9
454.28046	1.2
471.20636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63405	0.5
55.01860	0.6
56.96560	0.5
57.03423	0.7
58.06592	3.2
59.06895	0.7
60.05635	3.4
61.02909	1.4
69.03413	3.5
69.91681	1.7
70.06587	0.7
72.08147	16.5
73.02908	0.6
79.05499	0.8
81.03397	1.7
84.08128	2.1
85.02893	6.5
86.09689	0.6
89.03899	3.0
89.10782	1.3
95.04915	0.8
96.08101	0.6
97.02872	3.5
97.07642	3.4
98.06038	1.2
98.23330	0.8
99.04450	0.8
107.04961	5.1
108.05314	1.3
108.08085	2.0
109.02852	1.1
109.08435	0.7
110.07120	1.0
114.10278	33.7
115.08681	4.4
115.10612	0.7
117.03353	5.4
122.09652	0.8
127.03896	1.2
127.07575	0.6
127.75476	0.6
131.04883	0.7
131.08536	0.8
131.12915	5.5
135.04393	12.0
137.05959	0.7
140.10707	0.7
143.08565	0.7
145.02829	10.6
145.04910	1.2
145.06122	0.5
147.04411	1.0
149.06007	0.6
157.10799	1.2
163.03882	100.0
164.04172	2.8
178.04974	0.6
233.12807	6.8
234.11150	6.1
251.13922	1.0
260.13852	0.7
276.13443	9.7
277.13498	0.7
293.16040	23.4
294.13269	1.5
294.16217	1.2
324.16083	0.6
373.22046	0.9
391.23090	1.5
405.24713	1.3
423.25641	8.0
424.23306	0.7
442.36404	0.8
454.27554	1.5
455.21231	85.2
455.28107	46.8
456.21204	4.2
456.26599	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	455.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33653	0.4
61.29372	0.4
68.05019	0.5
69.03433	0.6
70.04586	1.3
70.06581	100.0
71.06922	0.6
71.60302	0.4
72.54367	0.4
76.19978	0.4
79.05465	0.6
85.02919	0.7
86.06054	1.1
86.09695	36.7
86.61914	0.4
114.05490	0.6
123.62493	0.5
132.10088	0.6
183.14925	2.1
186.40579	0.5
199.14380	0.6
211.14372	1.2
216.75046	0.4
225.99742	0.4
227.13930	2.2
229.15437	68.2
230.15744	2.2
342.24026	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51386	0.2
69.68390	0.6
76.98927	0.2
95.08571	0.2
98.78848	0.2
101.45200	0.2
105.25727	0.2
162.28796	0.2
165.37210	0.2
216.31142	0.3
282.09042	0.4
283.09808	1.0
293.08316	0.3
296.10657	0.6
299.09308	0.8
306.09283	0.3
308.10599	0.5
309.07739	0.5
310.08578	0.9
311.09311	6.1
312.09924	0.9
314.11624	0.2
321.07584	0.6
322.08453	0.8
323.09201	0.6
324.06631	0.4
324.10159	0.9
325.07587	0.3
325.10925	0.9
326.08151	0.3
326.11624	2.9
327.08841	1.0
334.08582	0.7
335.09357	0.9
336.10138	1.0
337.07175	0.4
338.08041	2.5
339.08835	11.4
340.09491	1.8
341.10416	0.5
342.11230	0.3
349.07364	1.0
350.08026	1.3
351.08881	2.6
352.09586	2.8
353.10498	0.8
354.07602	0.6
354.11206	8.0
355.08221	0.9
355.12061	0.4
362.07953	0.4
363.08878	2.1
364.09668	2.7
365.06479	0.5
365.10425	0.5
366.07535	9.0
366.11127	0.4
367.08310	13.1
368.08972	1.4
369.09689	0.4
370.10660	0.5
378.07370	0.6
379.08218	2.3
379.12006	0.3
380.09106	4.9
381.09879	7.5
381.14655	0.5
382.10690	25.4
383.07278	0.9
383.11011	1.7
384.12479	0.4
390.07739	0.3
392.09122	3.4
393.09799	0.3
394.07034	0.9
395.07697	5.2
395.12268	0.4
396.08090	0.8
396.12509	3.4
397.13055	0.4
398.10071	3.1
400.15414	0.2
407.11505	3.5
408.08298	1.9
409.09482	0.7
410.10168	46.9
411.11008	3.4
412.11755	0.8
413.12128	0.4
423.10867	0.6
424.11691	3.3
425.12512	100.0
426.08228	0.4
426.13580	7.0
440.11243	1.0
441.12079	3.2
442.12164	0.3
456.14359	19.5
457.14844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	24.2
57.07061	9.8
58.06582	25.0
59.05001	5.0
60.50573	4.2
67.05496	7.4
69.03423	77.1
69.94659	4.2
70.06573	17.0
70.33491	3.6
71.06908	6.0
81.03399	6.4
81.07040	10.9
81.78307	4.0
85.02886	77.6
85.06525	5.1
86.06026	4.6
87.04460	56.5
91.05477	7.5
93.07008	11.5
95.04957	5.2
95.08583	4.8
97.02874	81.7
99.04469	7.6
105.07017	6.3
109.02814	6.6
109.10154	4.3
115.03907	93.2
117.27423	3.6
119.04910	5.1
119.08573	6.2
121.06419	4.7
127.03848	19.2
127.11134	4.0
131.08490	5.3
133.04947	100.0
137.06013	6.6
145.04939	17.1
145.12224	6.8
147.04378	17.9
147.11665	6.1
150.07683	6.0
151.07562	5.0
158.38100	3.3
165.09081	8.1
172.09724	4.3
175.46089	4.1
180.08713	4.7
191.14262	7.4
207.14720	4.5
228.15921	9.5
229.15538	12.6
230.15697	6.9
282.14279	4.7
289.16464	6.7
331.26804	4.4
385.09558	4.2
391.11816	4.4
402.12811	3.8
456.33044	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	456.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28481	0.3
56.05023	0.6
58.06595	5.3
69.46154	1.2
71.01311	0.3
72.08136	0.5
79.05457	0.5
80.05006	0.3
81.07070	0.3
82.06544	0.3
83.04956	0.3
84.08131	1.1
85.02893	0.5
88.07623	0.5
91.05446	0.6
93.03326	0.3
94.06564	0.4
95.04969	0.4
96.08104	0.7
98.09699	0.4
98.97589	2.1
105.07018	0.6
107.04934	4.6
108.08096	1.0
109.06443	0.4
111.04426	0.3
112.07582	0.3
114.09166	0.3
115.05480	0.4
116.98616	0.7
117.06998	0.9
121.06505	0.4
122.09681	0.5
123.04459	0.5
128.06206	0.4
129.06984	1.8
129.09018	0.3
131.04910	0.3
131.08563	0.9
133.06487	0.3
134.09682	0.4
136.07642	0.3
138.09085	1.4
140.10687	0.4
141.06976	0.8
143.08539	0.4
145.06468	0.5
155.08600	0.8
158.09666	0.6
159.08057	0.4
159.10406	0.3
160.11237	0.8
166.07758	0.4
167.08528	0.5
169.06529	0.3
169.10097	0.5
171.07950	0.4
172.11220	1.7
173.11966	0.3
174.12737	0.6
178.07756	0.4
179.08533	1.0
181.06511	0.3
181.10152	0.4
184.11292	0.3
186.12749	0.4
191.08542	0.3
193.10126	0.8
195.11690	0.4
202.12216	0.8
204.13824	0.9
205.10179	0.5
214.12379	0.3
223.11113	0.4
228.13847	0.3
234.14725	0.4
243.30402	0.3
256.96600	0.4
263.10666	0.3
274.97513	2.0
292.98508	1.3
308.16211	0.5
326.17563	0.5
330.16968	0.7
338.17465	0.8
340.19086	0.4
344.18176	0.4
353.40884	0.3
356.18503	0.8
374.19501	1.7
376.21344	0.3
388.21130	0.6
392.20856	0.5
394.22281	0.3
402.58847	0.3
405.07968	0.3
406.22189	8.3
407.22736	0.6
408.23804	0.3
414.63910	0.3
420.23804	0.6
424.23212	2.3
432.96103	0.4
438.24997	2.9
456.25851	100.0
457.26343	7.7
463.25815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.7
58.06596	5.4
69.21010	1.9
71.04981	0.4
71.66357	0.3
72.08165	0.4
75.04465	0.6
79.05491	0.4
82.06572	0.5
84.08136	1.3
85.02893	1.2
88.07624	0.5
90.09401	0.4
91.05471	1.1
95.04948	0.5
98.22694	0.8
102.09152	0.5
105.07043	1.1
107.04942	5.6
108.08100	2.2
112.07602	1.1
115.05474	0.7
117.07041	1.0
119.15143	0.3
121.06466	0.3
121.08824	0.6
122.09673	0.9
124.07584	0.6
128.06226	0.7
129.06998	1.5
131.08560	1.4
133.53474	0.4
138.09117	0.5
141.06937	1.0
143.08583	0.8
145.06511	0.6
145.10054	0.4
146.09680	0.5
150.79216	0.4
152.10663	1.2
152.21561	0.3
153.06924	0.6
155.08554	1.0
158.09592	0.6
160.11227	1.2
165.07028	0.8
166.07813	0.5
167.08516	0.8
172.11223	0.9
173.09583	0.7
178.07719	0.5
181.10144	0.6
184.11171	0.7
186.12794	1.4
191.08595	0.6
192.09198	0.5
193.10185	0.7
197.09734	0.5
202.12265	0.5
207.11569	0.5
216.13797	0.5
218.15335	0.6
221.09651	0.4
228.95465	0.4
268.70526	0.4
276.52069	0.3
288.65912	0.4
298.17838	0.4
312.16028	0.4
320.16443	0.5
325.14136	0.4
328.19104	0.4
330.16852	0.9
338.17407	1.4
348.17966	2.7
352.18979	0.5
356.18362	0.5
370.20129	1.1
374.19476	0.7
388.21140	3.6
392.20721	1.4
402.22455	0.6
406.22098	2.4
420.23795	8.7
421.24033	0.6
424.23148	1.9
424.72592	0.4
438.24753	5.4
439.25195	0.6
456.25861	100.0
457.26239	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	456.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56786	0.6
55.05505	3.4
57.07069	23.1
58.06587	2.1
67.05491	3.6
67.05809	0.8
69.07059	3.9
69.51775	3.2
70.06583	22.5
71.08624	14.0
73.02912	1.8
81.07052	3.7
83.08611	3.9
85.10159	4.5
87.04488	0.9
88.07621	30.5
93.07082	0.9
95.08602	5.4
96.96412	0.8
97.10143	1.6
98.22738	1.4
102.09169	20.8
106.08640	1.2
109.10146	1.5
115.03333	0.8
139.10376	0.9
156.17542	1.0
165.33545	0.7
186.94269	0.7
197.08037	2.0
198.08484	1.0
200.20070	68.6
201.20439	1.8
218.21114	6.6
246.81020	0.7
256.26440	0.9
283.26273	74.4
284.26645	2.8
305.32047	0.9
456.44052	100.0
457.44370	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	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02855	1.4
62.96264	1.4
63.81975	1.2
67.05517	1.2
69.03423	3.0
69.27763	7.2
72.08138	1.5
74.70778	1.4
79.05481	4.0
79.71678	1.4
81.07045	5.4
84.56667	1.6
85.02866	3.0
86.09691	3.2
87.00805	1.6
91.05471	4.1
93.07029	2.5
95.08565	2.1
105.06990	8.0
107.04938	2.4
107.08576	8.8
109.06518	3.1
109.10114	1.6
114.27220	1.4
115.05382	1.7
117.07046	3.1
119.08555	2.1
121.10121	6.0
122.07234	3.8
127.03896	2.7
131.08502	1.6
133.01607	1.4
133.10106	48.9
134.10400	2.0
134.54308	1.4
135.08018	3.6
135.11664	1.5
137.09581	24.8
143.08513	1.9
149.13245	3.7
173.13243	3.4
177.05469	1.8
185.05751	1.5
191.14267	23.8
207.11722	1.7
254.55431	1.4
294.18509	8.3
296.19955	1.5
312.19516	8.4
346.03897	1.4
354.20499	16.2
372.21664	25.9
457.23718	1.8
457.29489	2.6
458.25296	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3309
Annotation	Anthosterone B
Peak:m/z	Relative Intensity
53.03939	0.6
55.01879	0.5
55.05503	6.9
57.07056	1.8
58.06588	1.1
59.04982	2.3
67.05499	9.2
69.03407	1.5
69.07056	5.5
69.40663	1.5
70.24554	0.4
71.08611	0.6
79.05481	8.3
81.07043	10.5
81.07494	0.7
83.04959	0.6
83.08594	3.7
85.02884	0.6
85.06513	0.7
86.56933	0.4
91.05461	6.8
93.06441	0.6
93.07033	12.5
95.04955	1.5
95.08594	14.0
97.06512	1.5
97.10176	1.2
105.07011	11.9
107.04938	1.1
107.08580	13.5
109.06505	2.9
109.10146	9.8
111.08060	1.2
117.06999	2.6
119.04927	1.4
119.08563	9.3
121.06477	4.0
121.10135	7.1
121.65183	0.5
123.08054	2.3
123.11684	6.4
125.09643	0.8
128.06247	1.4
129.06987	1.6
131.08556	4.7
133.06464	1.4
133.10100	4.2
135.08037	3.6
135.11642	2.6
137.09633	1.0
137.13258	1.1
141.07002	0.9
142.07771	1.0
142.39960	0.5
143.08539	3.9
145.06465	1.6
145.10115	6.0
147.07999	2.9
147.11668	5.1
149.09613	2.0
149.13232	3.4
155.08514	1.3
157.10094	4.0
159.08060	2.4
159.11661	4.1
161.09599	2.9
161.13248	1.7
163.14812	1.1
165.09074	2.6
167.08585	0.9
169.10146	2.1
171.08018	1.4
171.11644	3.0
173.09590	7.6
173.13251	2.2
175.11160	4.8
175.14787	1.1
177.12787	0.6
177.16370	0.5
181.10133	1.2
183.11696	1.7
185.09608	1.9
185.13249	1.6
187.11151	3.4
187.14780	1.0
189.12636	1.0
195.11668	1.9
197.09593	0.8
197.13260	1.6
199.11224	1.7
199.14838	1.6
201.12720	1.5
203.14275	0.8
205.12222	0.6
205.68039	0.6
209.13214	1.4
211.11163	0.7
211.14798	1.2
213.12724	3.6
213.16357	1.4
215.14252	0.7
223.14642	0.5
225.16466	1.1
227.14275	1.4
231.13823	1.7
237.16367	0.7
239.14386	0.9
239.17825	0.5
241.15813	0.9
245.15237	0.7
259.17001	0.6
261.14853	0.9
263.16495	1.6
275.16461	1.5
277.18024	0.9
281.19183	0.6
283.20435	0.6
289.17966	0.8
293.12601	0.5
297.18625	0.6
299.20084	0.5
303.19641	1.0
313.18002	1.0
315.19525	6.3
315.23172	3.2
316.19666	0.6
317.20947	4.6
326.04276	0.5
327.19467	0.9
331.22702	0.7
343.22479	0.7
355.22369	0.8
421.31107	1.2
439.32047	2.2
457.33057	100.0
458.26196	1.1
458.33359	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	458.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.48993	0.8
55.01865	1.5
55.05513	1.3
57.03427	2.8
58.06598	1.7
61.02919	3.8
69.03419	12.0
69.07054	3.5
70.06586	4.2
71.01348	1.0
71.04981	1.7
71.07034	1.0
72.08148	2.2
73.02903	2.3
75.04459	1.0
77.07207	0.8
79.05488	1.4
81.03408	4.6
81.07031	1.7
83.04987	2.9
85.02892	19.4
85.06519	1.2
86.06052	1.1
86.09713	1.1
87.04450	2.3
87.86633	0.9
91.05493	3.1
94.06564	1.1
97.02875	7.7
97.06512	6.8
99.04446	2.8
99.08067	3.5
105.07043	0.8
109.02882	2.4
112.07597	1.6
117.07034	2.1
117.09107	1.8
118.06537	2.7
121.06431	0.9
123.04432	5.0
124.07628	0.9
125.02275	1.0
125.05990	7.9
127.03919	3.5
129.07010	4.0
129.09103	1.4
131.04927	1.6
131.08533	1.7
133.06496	1.0
135.04367	1.4
137.05949	12.2
140.07047	1.3
141.07007	1.5
143.04889	1.5
143.07022	8.7
143.08479	1.5
145.04929	1.8
145.06445	2.5
146.05978	4.8
147.04404	4.6
149.06001	7.2
154.08650	2.0
155.08548	4.0
161.05960	10.6
162.06682	2.2
163.03947	2.9
163.07507	2.5
164.04193	1.2
164.07054	24.9
165.05466	23.1
165.06834	1.3
169.06523	0.9
169.10126	1.5
171.07982	2.1
173.05983	3.8
173.09558	1.3
175.07501	3.0
179.08578	2.1
183.08093	5.5
187.07579	2.2
189.08997	1.2
191.08714	0.8
191.10641	2.4
193.08691	1.1
193.10266	1.1
195.07991	1.1
197.09573	2.9
199.07587	1.7
201.09084	19.2
201.10803	1.6
207.08040	1.0
208.91721	0.8
209.09541	1.4
215.10640	7.4
216.10213	0.8
217.12221	1.9
218.11748	6.8
219.10138	5.7
225.09088	1.2
235.11320	1.1
236.12804	3.4
243.10103	4.6
261.11145	5.1
278.13873	7.3
296.14893	100.0
297.15192	5.4
350.16095	1.5
358.16513	1.4
360.25360	3.6
378.25818	2.0
390.19009	4.8
394.18475	2.0
408.20181	1.9
426.20871	1.0
440.23035	1.6
458.19864	64.0
458.24371	40.8
459.20325	4.2
459.24915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81360	0.4
55.01853	0.4
56.05021	0.5
67.05488	0.8
69.03413	0.4
69.71716	0.8
71.04970	0.7
75.04469	0.8
79.05505	0.8
80.05008	0.7
81.03402	0.8
82.06552	0.4
85.02895	2.0
86.06115	0.4
87.04447	1.3
91.05469	1.2
94.06565	0.6
95.04967	1.2
97.02892	0.8
97.06508	0.4
98.97549	0.7
101.73866	0.4
105.06965	0.7
107.04958	1.1
109.06514	0.4
111.04440	0.5
115.05392	0.5
117.07006	1.3
119.08530	0.5
121.06528	0.6
123.04432	0.8
124.07568	0.9
125.02339	2.0
127.03861	0.4
128.06215	0.9
129.06992	4.0
130.06529	0.5
131.04942	0.5
131.08568	1.4
133.06480	0.7
137.06001	0.4
141.06932	0.7
143.08554	1.3
145.06482	1.3
147.07971	0.7
151.03949	0.8
153.06989	0.8
155.08553	2.0
157.06491	0.6
157.10120	0.5
158.09650	0.8
158.59444	0.3
159.08032	0.9
161.05980	0.5
165.07034	1.0
166.07794	0.6
167.08546	1.2
169.06456	0.6
169.10056	1.0
170.09669	0.6
171.08076	0.6
172.07579	0.4
173.09752	0.6
174.09123	0.5
178.07788	0.9
179.08559	1.3
181.10114	1.5
183.08081	0.9
185.09607	0.5
186.09100	0.5
187.07570	0.6
191.08553	1.2
192.09315	0.5
193.10149	1.2
195.07990	1.0
195.11673	0.5
196.08827	0.4
197.09631	1.0
198.09169	0.5
199.07568	0.4
201.09148	0.6
202.07802	0.5
203.08611	0.7
205.10187	1.2
207.07999	0.6
207.11684	0.7
209.09618	1.2
211.11246	0.5
215.08633	0.4
217.10080	0.9
219.01848	0.4
219.08192	0.5
221.09615	0.9
223.11256	1.1
225.08943	0.7
233.09584	0.6
235.11159	1.3
237.02776	0.4
237.09129	0.6
239.10677	0.8
248.10779	0.4
249.12563	0.4
251.10698	0.7
253.12386	0.8
260.10596	0.4
262.12354	0.5
263.10767	0.4
278.11273	0.9
279.11911	0.8
290.11774	0.3
296.15009	0.8
298.14008	0.4
298.48468	0.4
326.13647	0.4
350.15979	3.4
358.16507	1.5
360.25250	0.5
376.17621	1.3
390.19052	5.1
394.18494	3.3
408.20105	2.9
422.21619	2.5
426.21255	1.3
433.59549	0.4
440.22754	2.9
458.23807	100.0
459.24216	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	458.2383
Annotation	Pro-Trp-Val-Gly
Peak:m/z	Relative Intensity
53.86612	0.3
61.22365	0.4
62.68530	0.3
63.47294	0.3
70.06579	0.5
72.08134	0.7
81.68000	0.4
82.06547	0.5
85.02879	1.1
91.05484	1.0
94.06536	0.5
95.04988	0.4
97.02886	0.4
98.97603	0.8
102.68221	0.3
104.51541	0.4
105.07040	0.6
108.08104	0.9
109.06465	0.4
110.97565	0.4
116.98594	0.5
117.07023	0.8
119.76099	0.4
121.06526	0.4
123.04398	0.6
124.07575	1.0
125.02345	1.1
128.06149	0.4
128.98645	0.4
129.06981	1.0
131.04967	0.4
131.08557	0.7
134.28975	0.4
138.09177	0.4
141.07001	0.5
143.08556	0.5
145.06480	0.4
155.08543	1.1
166.07748	0.5
167.08545	0.9
169.10120	0.5
178.05797	0.4
179.08549	0.6
181.10072	0.7
183.08052	0.8
191.08466	0.5
193.10030	0.4
205.10048	0.8
207.11630	0.4
219.01628	0.4
237.02766	0.6
346.16425	0.5
360.18228	0.4
364.17490	2.4
372.18256	0.6
378.18878	0.5
390.18900	2.6
392.20856	0.4
404.20685	0.6
408.20227	0.9
410.21631	0.5
422.21680	7.2
426.20609	0.5
440.22705	5.2
458.23792	100.0
459.24036	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	458.2534
Annotation	Roquefortine E
Peak:m/z	Relative Intensity
55.05460	0.2
55.75816	0.2
56.04992	0.4
58.06567	0.4
67.05468	0.3
69.07006	0.2
70.06548	0.3
71.45963	0.2
74.79217	0.2
75.62830	0.2
79.05427	0.6
81.07009	0.7
82.06533	0.3
86.09653	0.3
90.87980	0.2
91.05424	0.6
93.06990	0.6
94.06503	0.6
95.08557	0.4
97.04303	0.2
100.19437	0.2
105.07024	1.0
107.08528	0.4
116.10673	0.3
117.06985	0.2
119.08546	0.6
129.06937	0.4
131.08501	0.6
133.10034	0.4
137.09552	0.3
143.08492	0.6
144.08054	1.1
145.10030	0.3
146.09567	0.2
155.08524	1.0
157.10072	0.5
158.09608	0.3
159.11597	0.2
165.06978	0.3
167.08473	0.3
169.10056	0.4
171.08011	0.3
172.07010	0.2
179.08504	0.6
180.09341	0.2
181.10114	0.6
182.09570	0.3
192.09154	0.2
193.10083	0.8
194.10881	0.3
195.11630	0.6
204.09297	0.2
205.10092	0.3
206.10774	0.2
207.11606	0.5
209.13170	0.3
217.10016	0.2
218.11026	0.4
219.11644	0.5
221.13248	0.2
223.14790	0.2
247.14871	0.3
266.18961	0.8
267.19696	0.4
276.17569	1.1
277.03052	0.2
294.18466	6.2
295.19244	1.0
296.20004	2.1
297.20221	0.2
312.19519	9.1
313.19809	0.6
330.20432	0.4
336.19659	0.5
354.20572	15.9
355.20990	0.9
372.21625	30.0
373.21878	2.7
398.23080	0.4
440.30783	0.2
458.25290	100.0
459.25632	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	460.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.4
56.59517	1.1
57.03428	13.3
59.04993	57.7
61.85101	1.2
63.04244	1.4
69.03059	2.1
69.03419	27.4
71.44151	1.3
72.08146	14.5
73.02900	4.4
73.06544	97.0
73.08474	3.2
74.06872	1.6
75.15302	1.3
81.03371	1.2
83.04979	1.8
84.04502	2.5
84.08148	2.3
85.02893	22.1
86.01603	1.2
86.09686	15.5
87.04453	19.2
87.10037	2.8
97.02885	26.4
115.03914	30.0
117.09106	12.1
127.03915	3.8
129.10226	3.1
131.10661	13.2
133.04953	29.6
145.04948	3.4
147.04414	1.3
148.06042	1.6
149.11707	100.0
150.12076	2.3
171.14897	4.0
199.14357	3.1
200.14677	1.5
246.62221	1.5
259.08215	1.3
260.66650	1.3
261.14365	3.5
262.14734	3.6
295.10150	1.6
298.07007	2.8
432.12262	1.3
442.20673	1.7
460.18979	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.1
58.06589	0.2
60.04519	0.2
62.63237	0.1
62.99993	0.1
65.03932	0.1
67.01862	0.1
67.05486	0.2
68.99780	0.8
69.03425	0.5
69.07036	0.1
71.01326	0.1
75.33326	0.1
79.05475	0.4
81.03408	0.2
81.07045	0.2
81.85277	0.1
82.18745	0.1
85.02894	0.3
91.05446	0.1
93.07035	0.2
95.04942	0.2
95.08595	0.3
95.35587	0.1
97.02879	0.6
105.03353	0.4
105.07030	0.2
107.04963	0.6
107.08533	0.1
109.02864	0.3
109.10141	0.2
111.00795	0.7
111.04433	0.2
111.87965	0.1
115.03922	0.5
117.06971	0.1
119.08553	0.1
121.02845	3.5
121.10132	0.1
122.90219	0.1
127.03899	0.2
129.07007	0.1
133.02841	0.6
133.10118	0.3
135.04411	0.1
137.02316	1.1
138.09108	0.1
141.06932	0.2
145.06471	0.2
145.10100	0.1
147.04379	0.8
153.01805	5.1
154.02206	0.2
157.04942	0.3
157.06465	0.6
159.11664	0.1
161.05960	0.3
165.01810	2.1
165.09114	0.1
169.06418	0.1
171.04417	0.3
175.03922	0.1
175.05997	0.1
175.07434	0.1
183.02882	1.2
185.05954	0.6
189.05467	0.2
194.02124	0.1
197.05975	0.1
201.05534	0.1
203.03447	0.1
203.07057	0.2
212.26486	0.1
213.05408	1.8
217.04883	0.1
229.04945	0.2
231.06485	0.8
241.04903	1.1
243.06465	0.1
258.05225	1.5
259.05978	0.6
269.04398	0.2
287.05453	100.0
288.05789	4.3
299.05472	0.5
341.06653	0.1
365.06534	0.2
383.07489	0.2
401.08600	0.1
442.31821	0.1
461.10553	0.8
462.28415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1074
Annotation	Tenuecyclamide B
Peak:m/z	Relative Intensity
53.03944	6.5
56.72828	1.7
60.04526	3.6
61.82337	1.8
67.05492	3.2
67.16039	1.5
69.03419	27.6
69.98622	4.9
73.02919	8.0
81.07036	2.0
85.02893	24.3
95.04948	2.2
95.26947	1.6
97.02878	81.3
98.03212	1.7
105.03349	2.1
109.10134	2.7
115.03918	56.4
115.04701	3.1
121.02879	7.0
126.09179	1.6
127.03938	4.0
130.59224	1.6
138.09129	4.0
147.04419	1.6
153.01794	3.4
157.04945	86.2
165.01878	3.0
175.06012	14.4
283.05994	3.3
287.05460	100.0
288.05719	4.5
299.05438	3.6
300.06271	2.9
302.70892	2.1
311.05508	12.1
329.06427	9.6
371.07367	5.0
417.21002	3.0
441.00742	1.5
442.31509	4.3
460.32785	2.9
461.20023	4.6
461.33057	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	461.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01860	2.6
55.05497	6.4
57.03424	1.2
58.06598	5.6
58.06834	1.0
60.04521	2.5
61.02909	2.1
66.99477	0.9
67.05494	4.5
69.03426	8.6
69.07056	14.6
69.17139	5.5
69.17550	1.5
71.04962	2.0
72.08163	1.2
73.02898	1.5
78.90450	1.2
79.05489	6.9
81.03414	3.9
81.07047	13.4
83.08605	8.2
85.02892	17.1
85.06521	3.0
87.00815	7.8
91.05464	4.4
93.07037	12.5
95.04967	1.8
95.08009	2.0
95.08597	27.6
95.09202	2.0
97.02875	6.8
97.06516	1.6
97.10165	3.8
99.04456	2.7
99.08085	9.4
101.97746	0.9
103.05466	1.3
103.13763	0.9
105.01855	7.1
105.07014	7.3
107.08575	29.3
108.08908	1.2
109.02871	3.7
109.06494	1.2
109.10139	8.2
110.09647	1.3
111.08072	4.6
115.03909	1.0
119.08603	2.6
121.10130	43.5
123.11673	3.9
124.11321	1.1
125.09589	5.1
127.03889	10.9
131.08537	2.8
133.10124	7.7
135.08069	2.3
135.11678	10.8
137.13200	5.1
138.09120	1.6
145.04935	3.5
145.10066	1.2
149.02348	2.4
149.13239	3.7
150.02745	1.7
155.08498	1.2
159.02881	1.7
177.16357	100.0
178.16707	4.9
195.17429	18.7
195.19127	1.4
196.17917	1.0
213.18459	16.9
231.04869	2.0
233.11760	2.7
287.05466	7.1
329.06714	1.2
335.13449	1.3
352.22562	4.2
356.22089	4.1
370.23676	3.0
384.25223	14.6
402.26416	7.1
443.32318	2.1
444.27600	1.9
461.26956	3.7
461.32776	2.4
462.28445	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	461.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01866	1.8
55.05501	18.6
57.03429	4.2
57.07080	2.4
59.04995	2.5
59.34557	0.5
65.03927	3.1
66.43298	0.5
67.05494	100.0
68.05824	1.5
69.03435	0.7
69.07054	8.3
71.04971	3.5
77.03929	1.4
79.05481	39.0
80.05818	0.6
81.03412	0.9
81.07043	33.0
82.07381	0.6
83.04973	1.9
83.08599	8.3
85.06532	3.1
90.81957	0.6
91.05464	26.6
93.07030	38.4
94.07359	0.8
95.04960	6.8
95.08591	19.7
96.08914	0.7
97.06511	1.5
97.10128	2.4
99.08064	7.0
100.08443	0.6
103.05471	0.9
105.04520	2.8
105.07015	16.4
105.07726	0.9
107.08578	12.7
109.06520	1.7
109.10137	59.0
110.10447	0.7
111.08064	3.4
113.05962	0.6
115.05462	1.1
116.06226	0.7
117.06995	7.8
119.08559	19.7
121.06455	0.8
121.10123	22.6
123.08034	1.4
123.11693	2.0
125.09616	2.3
128.06178	0.8
129.06963	3.1
131.08548	10.9
133.10110	11.5
135.08060	0.8
135.11668	7.0
137.09583	4.1
139.11111	0.6
141.07024	1.0
142.07797	0.6
143.08537	4.0
144.09312	0.7
145.10107	11.0
147.11676	6.7
149.09598	1.2
149.13272	2.8
151.07521	1.2
151.11197	0.8
155.08539	2.0
155.10622	3.5
157.10095	4.1
159.11668	8.2
161.09634	0.7
161.13246	2.8
163.11154	0.8
169.10081	2.7
171.11673	2.9
173.11731	18.4
173.13239	5.6
174.12102	0.6
175.14897	1.0
181.10066	0.9
183.11664	2.4
185.13228	2.7
187.14853	2.5
189.11197	0.6
189.16316	0.6
195.11618	1.0
197.13275	1.8
199.14830	1.4
201.16344	0.7
209.13332	0.7
211.14854	0.9
213.16438	1.1
215.14381	0.5
215.17874	5.0
215.19365	0.4
225.16400	1.0
227.17990	1.5
229.14297	6.1
229.15991	0.5
229.19345	0.6
231.17311	1.1
233.18967	3.0
239.17795	0.6
241.19490	0.8
243.17448	0.8
245.18988	1.4
251.17923	0.6
257.19019	1.2
265.19489	0.6
271.20563	0.9
289.21661	1.9
335.82031	0.6
341.28247	0.7
349.23514	1.0
351.26773	6.3
363.25189	1.4
369.27844	9.5
370.28250	0.7
377.26868	0.9
387.28821	2.2
390.26959	0.5
443.31546	7.0
461.32559	63.6
462.32953	3.7
485.99896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2117
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
52.97525	0.4
55.01849	0.5
57.03413	0.7
57.09816	0.5
58.06586	1.3
61.02905	1.8
69.03421	5.8
70.06573	0.8
72.08134	0.6
73.02892	1.3
73.04739	1.4
75.19191	0.3
79.05495	1.1
81.03390	1.6
84.08132	1.5
85.02890	7.0
85.03401	0.5
87.04465	1.2
89.03888	0.4
89.06007	1.5
91.05789	2.4
91.47601	0.4
93.07018	0.7
95.04950	1.6
97.02891	2.8
99.04455	0.6
103.05445	0.9
105.06999	1.4
107.04936	58.8
108.05284	0.7
109.02864	1.1
115.05416	3.0
117.03355	0.8
117.07008	1.3
119.04926	2.2
121.06496	4.4
127.03873	1.4
129.05457	0.6
131.04919	1.9
133.06506	2.8
135.08066	0.4
137.05956	6.7
143.04901	7.3
145.02853	1.7
145.04845	0.4
145.05241	0.5
145.06459	7.8
147.04385	2.7
147.08034	1.0
149.04483	0.5
149.05971	1.2
151.07529	1.7
160.05190	2.0
161.05887	0.7
163.07529	2.2
167.05537	1.5
167.06947	0.6
172.41992	0.4
175.07518	13.9
177.05434	4.8
177.07841	0.5
178.08623	1.0
179.08359	0.5
180.10228	1.0
181.06422	0.9
181.10008	0.8
182.07286	0.8
191.08557	1.7
192.10167	4.5
194.07262	1.6
195.07811	0.5
197.09581	5.0
207.07930	0.5
209.09584	6.3
211.07523	0.4
211.11133	0.6
219.08069	1.4
225.09067	2.9
237.09053	8.6
238.09769	0.5
239.10681	0.6
254.09334	1.2
257.11649	2.9
261.17032	0.5
268.13342	0.5
269.11670	22.2
270.12051	0.7
271.13135	0.6
283.17459	1.0
285.13943	0.5
300.12473	1.0
300.15860	29.3
301.16330	0.9
359.02847	2.9
429.08713	0.8
462.21100	100.0
463.21527	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	462.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
57.03422	4.4
58.06598	7.9
67.05505	1.6
69.03427	6.5
69.07044	1.5
69.26472	7.8
71.30392	1.2
72.08152	4.7
79.05488	3.1
81.03423	2.8
81.07043	2.1
84.33746	1.2
85.02892	9.4
86.09717	1.3
87.04443	3.1
91.04572	1.3
91.05447	6.6
91.71841	1.2
93.07050	2.1
95.04939	1.3
97.02895	5.9
97.06512	14.4
98.09692	2.9
98.22720	1.5
105.07020	24.6
107.04937	1.4
109.10168	1.5
110.09679	1.3
115.03919	5.6
119.08496	1.9
127.03903	3.4
127.11198	2.0
129.06996	2.4
131.08563	3.1
133.04971	4.9
133.10110	100.0
134.10484	3.1
137.05962	8.2
145.04971	2.6
145.10135	1.6
147.04501	1.5
155.08524	2.9
165.05482	5.6
169.10156	1.7
189.09099	3.3
191.07008	2.5
207.10155	7.7
213.85381	1.3
215.10666	3.9
233.11688	22.0
247.13240	1.9
251.12633	7.5
265.14398	5.9
267.31708	1.4
285.11743	1.5
288.05911	2.1
288.56802	1.3
352.22684	6.0
356.22406	4.0
357.66022	1.5
359.14853	5.1
370.23843	3.3
376.49268	1.4
377.15869	3.1
384.25284	20.0
402.26447	6.5
444.27380	3.0
462.23065	3.2
462.28455	59.4
462.33130	2.2
463.28799	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	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.1
58.06589	13.4
61.25877	4.7
67.05493	5.5
69.03416	21.0
72.08151	7.1
73.04736	19.6
79.05473	11.7
81.03385	9.0
81.07029	5.3
84.08133	13.5
85.02888	29.7
86.09711	7.7
89.06017	75.2
91.05859	30.7
93.07041	14.0
95.04961	9.1
97.02888	12.0
105.03322	8.0
105.07017	15.9
107.04935	19.0
109.02853	8.6
109.06525	7.9
111.04378	8.8
115.05437	11.7
119.04923	15.3
119.08556	17.6
121.06490	86.7
123.04413	20.8
123.08091	8.0
127.03851	6.3
131.08598	8.2
133.06458	6.4
133.08577	34.2
133.10149	6.7
133.90952	5.3
135.08040	24.5
137.05962	21.2
143.04967	12.7
143.08551	5.6
145.10165	7.4
147.04395	98.6
147.08051	8.3
149.05914	7.4
149.09593	7.2
149.90919	5.5
159.08043	10.8
159.11681	9.7
161.05975	20.1
161.09587	6.0
164.07045	10.2
167.05577	13.5
175.07545	19.3
177.05460	15.2
177.11252	12.9
187.11092	8.8
202.39882	5.9
203.10643	6.6
212.70503	5.2
223.07576	7.4
247.13214	23.7
251.07047	11.4
265.14319	100.0
269.11703	16.9
278.05600	8.8
283.17490	58.2
293.08121	8.6
300.12503	9.9
300.15912	41.5
306.43582	4.8
311.09088	12.0
328.11731	21.4
359.02850	27.0
398.58267	5.8
429.08575	6.6
462.16074	13.6
462.21176	89.4
463.16095	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	462.2478
Annotation	Stephalonine A
Peak:m/z	Relative Intensity
55.05336	1.2
55.05636	1.6
56.04866	0.4
56.05127	0.6
57.03269	0.9
57.03567	1.1
58.06462	0.5
64.58202	0.4
67.05333	0.9
67.05649	0.7
69.03268	0.7
69.03582	0.7
69.26990	1.0
69.27394	1.7
70.06380	1.7
70.06793	0.8
73.04579	0.8
73.04922	0.5
73.06369	0.8
73.06728	0.6
79.05283	0.8
81.03251	0.5
81.06833	1.3
81.07343	0.8
82.06403	0.7
83.04779	0.9
83.05222	0.5
84.07980	0.6
84.08388	0.4
85.02727	0.5
86.09488	1.0
86.09960	0.7
88.36332	0.4
91.05227	2.7
91.06118	0.6
93.06797	1.5
94.06361	0.8
95.04791	0.7
95.08395	0.7
95.08952	0.5
96.07921	0.6
101.05767	0.5
103.05239	0.4
105.06760	3.0
105.07527	0.9
107.04704	1.3
107.05353	0.4
107.08366	0.7
109.77551	0.4
115.05206	1.0
117.06750	1.3
118.06319	0.8
118.07037	0.5
119.04709	0.8
119.05431	0.5
119.08340	1.0
120.07885	0.9
121.06225	1.2
121.07018	0.8
121.09888	0.5
128.06018	0.8
129.06712	2.1
130.06282	0.8
131.04640	1.6
131.08246	1.7
132.07779	1.4
132.08673	0.5
133.06201	1.1
133.07133	0.6
133.09912	0.9
134.09398	0.7
135.04109	2.1
135.07826	0.7
137.05659	0.5
141.06688	2.0
142.07491	0.5
143.04750	0.6
143.08246	1.6
144.07840	1.0
145.02574	1.0
145.06187	2.0
145.09813	1.2
146.05695	1.9
146.09410	0.5
147.04213	0.8
147.06113	0.4
147.07784	0.9
147.11339	0.5
148.07336	0.6
149.05736	0.9
151.07277	0.9
153.06737	1.0
155.08241	2.0
156.07811	0.7
157.06235	0.6
157.09808	1.2
159.11415	0.7
160.07256	2.4
161.05756	0.8
165.06921	2.1
166.08501	0.6
167.05324	0.9
167.08481	2.3
169.06203	0.7
169.09859	1.0
171.07791	0.6
172.07375	0.7
172.10944	0.6
173.05756	0.5
173.09299	0.6
174.08919	0.6
176.06761	2.2
177.05139	2.4
178.07484	0.9
179.08211	2.3
180.09166	0.7
181.06354	0.8
181.09787	1.3
182.09286	0.5
183.07686	1.4
184.07167	0.5
184.10959	0.5
186.08867	0.6
190.08269	1.7
191.08231	1.3
192.09093	1.2
193.09807	2.2
195.07736	1.4
195.11421	1.3
196.10898	0.5
197.09328	0.9
198.12544	0.7
199.07330	0.6
200.14070	0.5
202.07489	0.6
203.08215	1.3
203.12709	0.5
204.09123	0.8
205.09674	1.4
206.10828	0.5
207.11429	1.2
208.03009	0.5
209.09341	0.9
209.13005	0.7
211.07309	1.1
212.14081	0.9
215.08337	0.5
216.09090	0.9
216.13577	0.7
217.09900	0.9
218.10703	1.1
219.07903	0.6
219.11406	1.1
221.09267	1.3
221.11221	0.5
221.13174	0.7
223.10922	0.8
231.11380	0.7
233.09221	0.6
233.12898	1.4
235.10890	1.8
235.14685	0.6
236.14146	0.8
243.11395	0.5
245.12961	1.2
247.10832	0.4
249.08664	0.5
251.13960	1.4
252.09763	0.5
261.12387	0.7
262.12177	0.4
262.15857	3.7
263.13992	0.7
264.13681	0.5
266.11661	0.6
273.03604	0.7
278.15005	0.7
279.13519	1.2
280.13199	0.5
280.16577	1.2
287.93341	0.4
290.15286	0.8
291.13486	0.6
298.17737	1.5
308.16336	3.0
326.17429	15.3
327.17679	0.8
344.18475	7.2
345.18390	0.5
359.02652	1.2
396.76965	0.6
400.21072	2.0
416.24475	0.4
426.22693	1.8
444.23712	87.8
445.24094	7.4
462.24786	100.0
463.25082	8.2
465.63419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2482
Annotation	Stephalonine A
Peak:m/z	Relative Intensity
53.83397	0.7
55.01872	1.0
55.05506	4.0
57.03430	2.3
58.06597	1.5
67.05504	2.9
67.76202	0.8
69.03416	4.0
70.06586	3.4
70.81448	1.6
72.08153	1.3
73.04725	2.0
73.06563	1.3
79.05484	2.2
81.03439	1.4
81.07066	3.4
81.52411	0.8
83.04996	1.3
84.04506	1.0
84.08128	1.2
85.02894	6.9
85.06531	1.5
86.09717	1.4
91.05419	2.1
91.05885	1.6
93.07042	1.8
94.06581	0.9
95.04979	1.6
95.08608	2.1
96.08106	1.5
97.02893	1.2
101.06015	1.3
105.07027	4.2
107.04984	2.6
107.08596	1.2
108.08136	0.9
114.74732	0.9
115.05483	1.6
117.06999	2.4
119.04968	1.0
119.08617	1.6
120.04446	1.0
120.08100	1.4
121.06472	5.5
121.10210	1.0
122.06000	0.8
127.03908	1.5
128.06227	1.1
129.07016	2.1
130.06561	0.9
131.04929	2.0
131.08586	2.6
132.08109	2.4
132.28458	0.9
133.06531	2.2
135.04459	3.0
138.05519	1.3
141.06990	2.4
142.07797	1.2
143.08629	2.7
145.04910	1.2
145.06517	2.5
145.10147	1.8
146.06044	2.3
146.59795	0.9
147.04401	2.1
149.05975	1.3
153.06984	1.4
155.08560	2.0
157.10149	1.2
160.07561	2.0
161.05991	2.7
165.06999	1.7
167.05634	1.7
167.08597	2.1
172.07611	1.2
174.09213	1.0
176.07108	2.0
177.05505	2.1
179.08572	2.3
181.06427	0.9
181.10083	1.7
182.09593	1.0
183.11662	1.1
186.09097	1.0
190.08691	2.4
191.08620	1.6
193.10123	2.3
195.08112	1.2
195.11740	1.7
196.11226	1.3
203.08519	1.0
205.10199	1.3
207.08124	1.4
207.11636	1.2
207.66580	0.9
212.14302	1.2
221.09798	1.0
229.09808	0.9
233.13199	1.3
235.11234	2.0
241.09843	1.6
251.14313	1.3
259.10767	7.5
262.15994	3.4
263.14142	1.5
266.11719	1.2
270.56094	0.9
278.15347	0.9
280.16922	1.9
298.18063	2.1
300.15891	2.8
301.11792	16.0
308.16217	3.9
326.17477	19.9
326.20984	1.5
327.18045	1.4
339.28540	0.9
344.18573	5.2
359.02850	2.1
400.21231	2.5
426.22827	0.9
429.08954	1.3
444.23740	98.0
445.24100	6.8
462.24884	100.0
463.25235	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	462.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
61.02925	1.1
64.29563	0.6
69.03396	2.9
70.56774	0.8
73.02942	0.5
73.04749	1.7
73.06542	0.7
81.03392	0.9
84.08119	0.7
85.02901	7.0
87.04471	1.6
89.06018	100.0
90.06341	1.2
91.05771	2.2
97.02883	2.2
105.03384	0.7
105.07015	0.7
105.27686	0.7
107.04938	1.6
107.07043	2.6
118.87151	0.7
121.06485	2.8
127.03860	1.1
130.08545	0.8
133.08583	49.4
137.05945	0.8
147.04405	1.8
151.09663	1.0
164.07057	1.0
167.05557	0.8
175.07401	0.7
177.11192	21.8
195.12253	4.0
210.49306	0.6
218.24364	0.6
221.13776	1.5
239.14851	3.2
265.14261	2.4
283.17480	89.9
284.17889	3.5
300.12292	1.1
359.02762	2.3
462.15646	1.1
462.21616	3.2
463.17258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
57.07056	0.4
58.06581	0.6
62.24782	0.3
67.05475	0.5
69.03410	0.8
69.07045	0.7
71.04990	0.5
73.95245	0.3
77.03892	0.7
81.07036	1.1
91.05434	0.6
95.04430	0.3
95.04948	2.6
95.08574	0.8
95.19080	0.3
95.33098	0.4
97.02890	0.8
97.06497	0.4
105.03378	31.3
105.04492	0.9
105.07005	0.7
106.03667	0.5
109.10117	0.6
109.62045	0.4
115.03908	0.9
124.07488	0.3
131.08528	0.4
133.10104	2.6
145.10123	0.4
149.05957	60.7
150.06300	1.5
155.08578	0.4
160.04073	0.4
162.05640	0.4
167.05453	0.3
173.09601	0.4
177.07820	5.5
198.41283	0.3
208.40558	0.4
210.12778	1.0
223.13615	0.5
225.15057	6.4
226.15463	0.4
246.14873	2.4
287.05377	1.7
288.05862	2.4
312.06381	0.4
320.18375	0.6
322.21591	1.3
340.22638	13.6
341.22989	0.6
356.22073	0.5
359.02710	0.5
384.25278	0.7
402.26419	0.8
427.31516	0.4
446.10193	0.4
452.03806	0.3
462.26309	100.0
463.26691	7.8
463.33688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32135	0.2
55.01865	0.2
55.05494	0.4
56.05013	0.3
58.06597	0.6
67.05498	0.5
69.07065	0.4
74.06073	1.0
79.05512	0.5
81.07043	0.6
83.08631	0.3
91.05470	0.8
93.07047	0.8
95.04966	0.7
95.08611	0.7
96.08862	0.2
97.06544	0.3
98.23447	0.4
105.03378	1.6
105.07012	0.8
107.08598	0.3
108.08099	0.3
109.10149	0.2
115.05422	0.2
117.07008	0.6
119.08559	0.5
122.09658	0.3
128.06232	0.3
129.07005	0.6
131.08551	1.3
133.10139	0.2
138.09113	2.2
141.07019	0.3
143.08546	0.7
145.10124	0.4
146.09718	0.2
147.07986	0.2
149.05966	0.7
152.10699	0.5
155.08575	0.3
157.10117	0.2
167.05449	0.3
167.08577	0.3
169.10112	0.3
176.10713	0.5
178.12218	0.3
181.10107	0.4
186.12625	0.2
190.12238	0.5
196.11206	0.6
197.11870	0.4
198.12750	1.3
203.13058	0.6
206.15399	0.2
208.11237	0.4
208.13268	0.3
210.12802	0.3
210.14769	0.4
216.13983	0.3
226.12183	0.4
228.13846	0.7
240.13835	0.4
241.14558	0.4
242.15424	1.0
243.16118	0.3
244.16917	0.3
248.16457	0.3
254.15518	0.2
270.18542	0.4
280.16934	0.3
287.05478	0.4
288.05759	0.8
294.18530	0.4
295.19354	0.7
296.19922	0.3
310.21646	0.8
322.21591	0.5
340.22647	4.8
341.23322	0.8
430.25745	0.6
444.25928	0.3
462.26331	100.0
463.26700	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	462.2843
Annotation	Epothilone H1
Peak:m/z	Relative Intensity
50.81155	0.5
53.87256	0.5
55.01863	1.8
55.05503	4.5
56.05030	1.5
57.03433	0.7
58.06590	5.6
59.04991	0.6
59.35157	0.5
65.03942	0.6
67.05489	9.4
69.07056	10.6
69.07400	1.0
70.06602	0.8
71.04986	1.6
72.08158	2.2
75.04472	2.0
79.05484	6.3
81.03409	7.2
81.07050	6.8
83.04986	1.6
83.08618	1.9
84.08123	1.0
85.06564	0.8
91.05447	12.1
91.74015	0.5
93.07043	4.8
95.04964	3.8
95.08617	4.7
97.06529	2.0
97.10164	2.4
102.09190	2.2
103.05459	1.5
105.03389	1.2
105.07015	4.9
107.04930	10.8
107.08572	3.8
108.08127	1.6
109.06532	2.0
109.10146	5.4
115.05471	1.1
116.06284	0.7
117.07011	4.2
119.04938	2.7
119.08547	4.7
121.05733	0.6
121.06461	3.1
121.10160	1.3
122.09686	1.2
123.08067	0.7
125.09657	2.0
127.93786	0.6
129.06979	2.9
131.08549	3.6
133.06514	1.8
133.10149	2.2
135.04420	1.5
135.08061	4.2
135.11743	0.9
137.05962	17.1
137.07001	1.0
137.09589	3.7
141.07047	1.8
143.08569	2.0
145.06505	1.8
145.10114	2.3
147.04384	1.1
147.08031	3.3
147.11710	1.3
148.11221	0.9
149.05971	1.3
149.09589	8.7
151.98761	0.6
152.07091	1.0
152.10675	0.7
153.07002	1.1
155.08594	1.6
157.06477	1.1
157.10181	1.8
158.09673	1.5
159.08083	1.4
159.11726	2.3
160.11191	0.9
161.06065	0.8
161.09540	1.2
163.07570	1.1
163.11235	1.2
165.07024	1.2
165.09169	0.9
165.11475	1.2
167.05615	1.0
167.08571	1.4
169.10117	1.0
171.08086	1.4
171.11732	1.0
172.11261	0.9
173.06088	0.9
173.09671	0.7
173.11720	3.5
173.13161	0.7
175.07478	0.8
175.11180	1.4
177.09073	0.9
177.12729	0.7
178.12309	2.1
179.08597	1.4
181.10085	1.2
185.09648	1.0
186.12828	0.8
187.07620	1.2
187.11214	0.9
189.05487	0.7
189.12816	0.7
190.07884	0.9
191.08577	1.0
193.10226	0.9
197.06834	0.8
197.09654	1.1
198.12878	0.7
203.08627	1.8
203.10619	1.2
204.09392	1.0
205.10191	1.4
205.12079	0.7
207.11736	1.0
213.12856	0.6
215.08591	0.7
216.09300	0.6
217.10249	1.1
219.11569	0.7
219.17726	0.5
223.13231	1.0
229.12190	1.2
233.13382	1.1
249.12743	0.7
255.13770	0.8
273.18396	3.3
288.17422	0.8
291.19513	23.4
292.20145	0.7
306.18399	0.8
329.17358	0.7
330.20901	0.6
338.21429	0.9
340.22888	0.7
346.20267	1.2
352.19064	0.8
352.23035	0.9
357.16806	0.9
359.03110	1.3
370.23901	1.0
380.22586	0.8
384.21454	1.4
389.67078	0.6
409.23776	1.3
412.24619	3.4
416.24265	6.1
426.26282	0.7
427.24521	4.1
430.25928	4.1
444.27344	19.9
445.27292	2.1
462.28470	100.0
463.28717	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	462.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04999	0.6
58.06596	7.6
67.05472	0.5
69.81545	1.1
70.06553	0.6
71.04976	0.5
72.08147	6.7
79.05446	0.8
81.07011	1.0
82.06528	0.8
84.08106	0.4
91.05457	1.7
91.28450	0.3
93.07013	0.7
95.08561	0.7
98.09695	2.2
98.21706	0.3
103.05408	0.4
105.06445	0.3
105.07012	3.3
107.08543	0.7
108.08072	0.5
110.09659	1.8
117.06954	0.9
119.08530	0.8
122.09677	1.6
124.11227	1.9
128.06161	0.5
129.06949	1.4
129.09543	0.3
131.08496	1.2
133.10086	0.7
134.77518	0.3
135.08011	1.0
135.10376	0.5
136.11206	0.4
141.06923	1.0
142.07722	0.4
143.08499	1.3
145.10091	1.2
148.11223	0.4
153.06984	0.4
154.07726	0.4
155.08482	0.9
157.10126	0.5
158.09569	1.1
159.08000	0.5
159.11629	0.5
160.11142	0.5
162.12801	0.4
165.06996	0.7
166.07738	0.4
167.08492	0.9
167.31514	0.4
169.10078	0.5
171.07996	0.4
171.11629	0.5
172.11177	0.8
174.12756	0.4
176.10606	0.4
179.08524	0.8
181.10045	1.5
183.11664	0.9
184.11212	0.4
185.09497	0.5
190.15817	0.3
191.08516	0.6
192.09346	0.6
193.10045	1.1
195.11702	0.4
198.12590	0.4
203.08643	0.4
205.10071	0.7
206.10710	0.5
207.11655	0.9
209.09584	0.6
209.13168	0.4
217.10150	0.4
219.11693	0.5
221.13304	0.4
232.12463	0.4
235.14790	0.6
236.14326	0.5
247.14854	0.6
249.16267	0.5
262.15909	0.5
267.17365	0.5
279.17392	0.4
292.20474	1.9
296.20032	1.2
305.15829	0.3
310.21783	1.0
324.23257	1.0
342.24170	0.6
352.22647	15.3
353.22903	1.0
356.22119	8.9
357.22263	0.5
370.23660	1.3
384.25272	41.9
385.25549	3.7
402.26331	15.2
403.26666	1.3
444.27414	3.6
462.28448	100.0
463.22452	0.6
463.28827	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	462.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79387	0.2
55.05467	0.2
56.04990	0.8
58.06591	8.5
66.58875	0.2
66.97852	0.2
67.05457	0.6
69.79515	0.3
69.79848	0.4
70.06538	0.4
71.04970	0.4
72.08145	7.7
72.08521	0.3
73.08444	0.2
79.05482	1.1
81.07007	0.7
82.06547	1.0
84.08073	0.7
91.05464	2.2
93.07020	1.4
94.06582	0.2
95.04913	0.3
95.08545	0.7
96.08086	0.3
98.09678	2.8
103.05415	0.5
105.06997	3.1
107.04920	0.3
107.08532	0.5
108.08080	0.4
109.06487	0.6
110.09664	2.8
112.11203	0.3
115.05424	0.3
117.07022	1.0
119.08488	0.8
121.06440	0.7
121.10058	0.3
122.08923	0.2
122.09660	2.0
124.11209	2.1
126.12760	0.3
129.06960	1.4
131.08556	1.4
133.10049	0.8
135.08035	1.0
135.10399	0.6
135.11652	0.2
136.11234	0.4
141.06944	1.0
143.08516	1.5
145.06473	0.3
145.10152	1.0
147.08006	0.4
147.11623	0.3
148.11172	0.6
150.09019	0.2
155.08534	1.5
157.10022	1.0
158.09605	0.8
159.11626	0.4
160.11157	0.7
161.09509	0.5
162.12695	0.3
165.06960	0.4
165.24490	0.2
166.07761	0.4
167.08498	1.0
168.09254	0.3
169.10115	1.1
171.08012	0.3
171.10303	0.3
171.11618	0.5
172.11171	1.0
173.09523	0.5
173.11855	0.3
176.10689	0.6
179.08446	1.1
180.09407	0.3
181.10085	1.2
182.09570	0.3
183.11646	0.8
184.11076	0.4
185.13185	0.3
186.12769	0.3
188.10699	0.3
188.14201	0.3
191.08434	0.6
193.10121	1.0
194.10861	0.2
195.11594	0.7
199.11049	0.3
203.08417	0.4
205.10063	0.6
207.11600	1.2
208.17776	0.2
209.13153	0.8
210.12672	0.4
211.11014	0.2
213.12570	0.3
217.09969	0.3
219.11603	0.7
221.13203	0.6
222.12740	0.3
225.12666	0.3
226.15970	0.3
232.12329	0.4
235.14803	1.1
236.14342	0.3
238.15863	0.4
247.14767	0.6
249.16393	0.4
250.15836	0.3
262.15817	0.2
264.17456	0.5
267.17346	0.4
268.17041	0.2
279.17511	0.3
282.18671	0.2
292.20633	1.7
296.20102	1.3
310.21732	0.8
316.00336	0.2
324.19635	0.4
324.23059	1.5
342.20547	0.4
342.24243	0.5
352.22641	14.9
353.23035	1.5
356.22131	11.0
357.22504	0.7
370.23737	2.1
377.17267	0.3
384.25250	43.4
385.25589	3.8
402.26306	17.2
402.31754	0.5
403.26627	1.2
416.24280	0.5
430.25571	0.2
444.27377	4.8
445.28140	0.4
462.28412	100.0
463.28729	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	463.3778
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.12236	1.6
53.03940	3.1
53.67925	1.7
55.01864	3.8
55.05507	47.2
57.03411	1.6
57.07067	21.8
67.05498	33.3
69.07059	77.4
71.03194	1.5
71.04993	1.9
71.08623	15.1
72.66724	1.5
79.05486	19.1
81.03405	3.4
81.07049	72.0
82.07394	3.2
83.04986	7.5
83.08613	52.3
85.02913	2.1
85.06537	13.9
85.10174	6.5
85.22787	1.6
91.05473	17.3
93.07032	42.2
93.07591	3.4
94.07362	1.8
95.04971	5.0
95.08593	65.7
96.08953	1.8
97.06514	11.4
97.10156	33.8
98.22696	3.8
99.08079	2.8
105.07020	34.6
107.04964	3.1
107.08581	41.6
109.06525	5.9
109.10146	44.5
111.08053	4.9
111.11701	10.7
113.05952	2.0
115.03918	3.7
117.06993	6.7
119.08569	27.0
121.10128	35.5
123.08075	3.1
123.11703	21.1
125.06013	4.2
125.13287	2.8
127.07549	2.7
129.07036	2.2
131.08568	18.5
133.09146	3.1
133.10115	30.9
135.08061	3.5
135.11682	23.5
137.09668	1.9
137.13231	13.2
139.07535	2.2
139.14774	3.7
143.07027	38.6
143.08583	3.0
145.08856	2.3
145.10095	22.6
146.10492	1.8
147.11662	26.9
149.09605	2.9
149.13214	18.1
151.11211	1.7
151.14847	2.8
153.09103	3.6
155.06876	1.7
157.10089	3.6
159.11670	20.0
161.09575	3.8
161.13226	17.6
163.11237	3.1
163.14821	9.9
165.09123	2.0
167.10651	1.9
169.10045	1.7
170.95236	1.6
171.11717	5.0
173.13228	11.5
175.08147	1.9
175.11157	4.0
175.14816	10.8
177.16353	4.9
179.14369	1.6
185.13232	4.7
187.14778	11.4
189.12726	3.2
189.16397	6.3
191.10670	2.3
191.18036	2.7
193.12236	6.4
199.14833	4.7
201.16403	5.7
203.17949	6.9
205.12286	3.1
205.15845	2.7
207.13739	7.9
207.21033	1.8
213.16365	3.9
215.17841	4.8
219.13774	4.8
221.15410	3.5
227.17926	2.2
229.19484	3.7
233.15315	3.8
235.17027	4.2
243.21019	4.2
245.22777	2.4
247.16994	5.1
252.21895	1.9
257.22754	2.4
259.24298	2.3
261.18481	5.6
261.25690	2.3
266.93909	1.9
287.20068	4.7
287.27240	2.2
288.05002	4.2
289.21719	7.8
302.06390	2.1
315.23209	6.0
317.24747	1.9
327.30215	2.9
329.24661	5.3
333.24371	2.9
343.25949	4.0
345.31519	4.1
347.25897	2.8
367.33582	2.1
385.34644	2.9
401.33917	9.2
403.35745	3.3
419.35120	3.8
427.35712	17.6
445.36697	100.0
446.36887	4.3
463.28442	3.2
463.37738	6.3
464.29398	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	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05494	1.1
56.05018	2.4
57.03428	6.7
58.06593	8.1
59.04968	1.5
61.02904	3.0
62.06826	0.9
67.05467	1.4
69.03419	26.7
69.12516	5.0
70.06572	3.4
71.01352	1.3
71.04961	1.1
72.08138	3.0
73.02887	4.3
74.06052	1.4
79.05478	4.0
81.03395	3.4
81.07043	1.7
82.06550	0.9
85.02397	1.7
85.02894	28.6
86.63553	1.2
87.04459	14.3
91.03939	0.9
91.05467	4.1
93.07001	4.1
95.04927	1.6
97.02884	22.2
98.09653	1.9
99.04446	1.2
103.05447	1.8
105.07028	7.7
107.04940	1.4
107.08566	3.1
108.08076	4.2
109.02864	3.9
109.06516	1.4
109.10140	1.0
110.06004	1.2
110.09601	1.1
111.04433	1.8
112.07581	2.2
115.03918	26.1
117.06972	1.5
119.08568	1.4
120.08044	1.4
121.02854	2.1
121.06458	1.3
122.09622	1.5
123.04397	1.3
124.11175	1.8
127.03885	6.0
131.08549	1.7
133.04948	24.8
135.08037	52.0
135.11649	3.8
136.08394	1.1
137.02335	11.7
140.07048	1.7
141.06960	1.4
143.08504	1.1
145.04942	4.9
147.08017	1.2
149.09537	1.8
150.07623	5.2
151.02596	2.8
153.01811	1.9
153.09103	1.9
153.12701	1.3
155.08621	1.5
159.07974	1.4
165.06886	1.6
165.09067	1.8
166.04979	36.2
169.03658	7.9
169.10054	1.1
173.09637	1.9
177.00546	1.2
177.09085	9.2
181.08585	1.8
181.10107	1.3
183.02808	1.7
185.09560	1.9
185.78691	1.0
192.02892	5.0
193.10103	2.1
195.10139	2.4
201.08989	2.4
219.10052	2.4
231.09926	1.3
249.11101	3.0
257.04352	1.2
269.03058	2.6
269.83655	1.0
287.04333	3.6
288.05865	5.3
289.06586	1.1
298.10303	1.6
302.06552	47.2
303.04749	15.9
344.07700	1.2
358.19928	2.5
362.06409	2.2
372.25320	1.2
386.23285	13.3
388.07941	1.3
390.05988	3.7
404.24207	3.1
405.08325	7.1
414.22272	2.9
417.04639	1.2
432.07031	5.2
446.25366	18.0
452.39203	1.2
464.12183	11.9
464.26080	100.0
465.26321	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	464.2638
Annotation	AZD4547
Peak:m/z	Relative Intensity
52.39206	0.3
55.71286	0.4
56.05027	4.1
57.03431	0.5
58.06592	6.3
61.02911	0.4
67.05499	0.5
69.03413	0.9
69.54927	0.5
69.55315	0.6
70.06567	0.5
70.13895	0.3
71.04990	0.7
72.08130	0.9
73.02887	0.3
75.04460	0.6
77.50428	0.4
79.05475	1.4
80.05007	0.4
81.07037	0.7
84.08118	0.5
85.02882	1.1
85.06564	0.5
87.27407	0.3
87.99754	0.3
91.05466	1.6
93.07040	1.0
94.06578	0.5
95.04958	0.9
97.02901	0.8
98.09682	1.0
98.22664	0.4
102.09177	1.4
105.07038	1.0
107.04979	0.6
107.08559	0.4
108.08102	5.1
109.06509	0.6
111.31023	0.3
112.07566	0.4
115.03896	0.8
117.06996	0.9
117.20086	0.3
118.07903	0.3
121.08884	0.4
122.08895	0.3
122.09631	1.8
123.04408	0.7
124.11196	1.3
127.03916	0.4
128.06224	0.6
129.06966	1.1
131.08553	0.8
133.04927	0.8
134.09619	0.7
135.08025	1.0
140.72578	0.3
141.06955	0.9
143.08546	1.4
145.06442	0.4
145.10077	0.9
147.08017	0.4
152.10709	0.9
153.06976	0.6
154.07712	0.5
154.12222	2.0
155.08568	1.7
157.06454	0.7
157.10150	0.8
159.08054	0.6
165.06992	1.1
167.08516	1.4
169.10126	0.8
171.07970	0.4
172.11201	0.5
173.09602	0.6
179.08498	1.1
181.10199	0.9
183.08025	0.4
184.11214	0.5
185.09685	0.4
186.12775	0.8
191.08551	0.7
193.10165	0.9
197.09572	0.5
198.12816	0.4
199.11163	0.5
200.14279	0.4
201.09108	0.4
203.08504	0.8
205.10146	0.5
207.11734	0.7
216.09311	0.5
219.11777	0.8
221.09668	0.5
221.13374	0.6
231.11766	0.5
237.12717	0.7
249.12860	0.3
251.14304	0.8
293.15424	0.3
303.04797	0.7
317.06400	0.8
318.06802	2.1
344.74905	0.3
358.19855	0.4
358.23779	0.4
382.20032	0.7
386.18915	1.7
386.23657	0.8
403.96341	0.4
414.22726	5.0
415.22906	0.5
446.25305	24.0
447.25571	2.1
450.25748	0.4
464.26328	100.0
465.26688	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	464.3003
Annotation	14-Acetyltalatizamine
Peak:m/z	Relative Intensity
50.95289	0.2
53.97804	0.2
55.04739	0.2
56.05030	2.5
58.06592	14.4
59.24461	0.3
61.02929	0.3
62.25318	0.2
67.05500	0.8
69.57745	0.3
70.01190	0.6
70.06587	0.4
71.04982	0.7
72.08147	3.9
77.03952	0.3
79.05482	1.8
81.07054	0.9
84.08143	1.5
85.02892	1.2
85.06538	0.3
88.21378	0.3
91.05466	3.0
92.03732	0.3
93.07035	1.1
95.04960	0.7
98.09679	6.4
102.09165	1.0
103.05477	1.0
105.07021	2.5
107.04938	1.1
107.08633	0.3
108.08108	4.6
109.06536	0.5
110.09650	0.3
115.05444	0.6
117.07008	2.0
119.04927	0.5
119.08576	0.6
121.06497	0.8
122.09650	1.2
124.11181	1.4
128.06207	1.0
128.10663	0.5
128.77753	0.2
129.06999	1.7
131.08531	2.3
133.06499	0.5
135.08043	0.7
137.05951	1.1
140.10747	0.3
141.06973	1.8
143.08553	2.6
145.06396	0.3
145.10133	1.1
152.10690	0.4
153.07054	0.2
154.07799	0.3
154.12257	1.7
155.08569	2.1
157.10085	1.0
165.06996	0.8
167.08549	1.3
168.09387	0.3
169.10130	1.6
171.08063	0.4
171.11655	0.7
174.12862	0.3
176.14352	0.3
178.07791	0.5
179.08577	1.6
181.10167	1.1
182.08548	0.3
183.08093	0.3
183.11664	1.4
186.12834	0.3
188.14346	0.3
191.08546	0.7
192.09369	0.6
193.10138	0.9
195.11655	0.7
197.13281	1.0
199.11197	0.5
202.07872	0.4
202.15852	0.4
203.08566	0.8
204.09372	1.0
205.10089	0.9
207.11670	1.4
209.13306	0.3
215.08557	0.4
217.10141	0.8
218.10884	0.5
219.11543	0.6
220.17047	0.4
221.13249	0.5
223.11270	0.3
225.12753	0.8
230.10760	0.4
232.12489	0.3
233.13190	0.9
235.14830	0.6
239.14282	0.4
245.13344	0.8
247.14807	0.8
265.15808	0.6
279.17480	0.4
290.19156	0.3
303.04999	0.6
314.21097	0.4
322.21487	0.5
340.22675	0.8
354.24335	0.6
358.23721	0.3
368.22369	0.4
372.25366	0.8
382.23746	0.4
386.23328	0.4
400.24860	1.8
401.25250	0.3
404.24338	0.4
414.26135	1.3
432.27402	22.6
433.27783	2.1
464.30023	100.0
465.30334	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	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03932	0.5
53.98065	0.3
55.01849	0.9
56.05014	0.3
57.03421	0.9
58.06584	0.4
61.02925	1.9
62.45768	0.3
67.05468	0.3
68.99780	1.2
69.03417	3.6
69.92331	0.7
71.04977	0.6
73.02900	0.4
74.30066	0.3
79.96030	0.3
81.03405	2.3
83.01334	0.3
83.79117	0.3
85.02892	10.0
86.09685	0.4
87.04447	0.3
91.03916	0.4
95.04970	0.4
97.02883	4.1
97.99945	0.3
99.04404	0.4
109.02836	1.7
111.00772	0.9
115.28544	0.4
121.02839	2.2
123.04402	0.6
127.03891	1.8
137.02299	4.3
145.04927	1.1
149.02313	0.8
153.01796	6.3
155.04913	0.6
161.05919	0.5
163.03908	0.9
165.01828	2.6
173.05890	1.1
183.02846	1.0
183.04346	0.4
187.03925	0.7
201.05411	2.5
207.02858	0.3
215.64780	0.3
219.06551	0.6
229.04942	6.1
239.63193	0.3
247.05997	0.7
257.04422	3.3
274.04807	0.5
285.03946	1.2
286.24506	0.3
286.70480	0.3
303.04935	100.0
304.05240	4.4
314.13281	0.4
338.60541	0.3
386.23190	0.7
387.23395	0.5
446.24429	0.3
464.26282	2.8
465.26645	1.3
466.28329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.74606	0.1
52.86037	0.1
55.01869	0.3
57.03419	0.1
57.07051	0.1
58.06596	0.5
63.17671	0.1
65.03924	0.3
66.12542	0.1
67.01821	0.1
67.05493	0.2
68.99780	0.9
69.03407	0.5
69.60071	0.1
69.65273	0.1
69.65611	0.3
70.06574	0.3
71.04982	0.1
72.08147	0.2
73.02906	0.3
79.05495	0.2
81.03402	0.6
81.07015	0.1
82.93109	0.1
84.08102	0.1
85.02895	0.6
85.06571	0.1
86.09664	0.1
91.05469	0.2
93.03397	0.5
93.07031	0.1
95.04957	0.4
95.08591	0.1
97.02860	0.3
97.81164	0.1
99.04445	0.2
105.03373	0.5
105.06988	0.2
107.04933	0.2
107.08607	0.1
108.08093	0.2
109.02872	0.8
109.06474	0.1
111.00779	1.2
115.03912	0.1
117.07021	0.2
117.96474	0.1
119.04837	0.1
121.02845	1.2
121.24011	0.1
122.09602	0.2
123.04399	0.4
127.03917	0.7
129.07001	0.2
131.04872	0.1
133.06441	0.1
135.04387	0.4
137.02324	4.4
137.06116	0.1
142.08612	0.1
145.06474	0.3
149.02298	0.6
153.01805	5.4
153.12714	0.3
154.12204	0.2
155.04872	0.2
159.04355	0.1
161.05954	0.7
163.03917	0.7
165.00441	0.1
165.01814	2.5
166.02559	0.4
173.04613	0.1
173.05984	0.5
177.01869	0.1
179.03337	0.2
183.02850	1.0
183.04376	0.4
185.06006	0.1
187.03941	0.5
191.03387	0.3
195.02808	0.2
201.05443	2.6
205.04895	0.3
207.02979	0.2
207.10162	0.1
211.03889	0.2
213.05504	0.2
213.14931	0.1
215.03426	0.2
217.05023	0.1
219.02899	0.1
219.06540	0.4
228.04106	0.4
229.04941	5.8
230.05254	0.3
233.03793	0.1
238.01169	0.1
239.03357	0.1
245.04271	0.2
247.05934	0.8
257.04407	3.6
258.05026	0.2
267.08685	0.2
268.08984	0.3
274.04749	1.0
275.05325	0.3
285.03864	1.8
285.06741	0.2
303.04938	100.0
304.05280	4.6
304.08823	0.2
440.87686	0.1
448.26859	0.4
464.26590	0.3
465.10214	0.3
465.26654	0.2
466.28043	3.4
490.66425	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	465.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	1.6
69.03412	1.2
75.54567	0.6
81.15554	0.5
85.02893	2.4
87.04456	0.9
97.02875	1.7
98.97572	0.8
103.27806	0.5
107.04944	1.3
115.03912	0.8
117.60726	0.5
123.07974	0.5
127.03880	0.8
133.04964	1.3
152.07114	1.0
155.03436	0.7
159.06244	1.0
164.07005	0.8
176.06979	0.9
206.08502	0.8
219.07178	1.5
239.57281	0.6
245.05086	0.6
267.11154	1.3
285.12503	1.5
303.04996	5.1
303.13388	1.3
312.30246	0.6
314.17606	1.2
321.11392	6.4
363.11594	3.0
403.15723	13.7
403.20737	0.9
405.13705	8.5
447.13785	0.6
465.15729	100.0
466.16074	5.0
466.24146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.6
57.03431	8.3
57.07071	21.1
58.06598	7.3
61.02910	2.8
69.03423	16.3
69.07047	3.1
70.43948	3.2
72.08136	3.6
73.02901	2.8
79.05490	3.0
81.03419	3.6
81.07041	18.4
83.04981	7.1
84.08160	3.3
85.02889	25.4
85.06545	7.2
86.03230	2.7
86.09689	4.7
87.04486	9.3
91.05482	2.6
93.07014	3.0
95.04958	2.8
95.08604	3.4
95.66990	2.4
97.02873	12.8
97.06554	2.7
99.08105	16.4
105.07046	4.9
106.03761	2.8
107.04905	3.3
109.02862	2.8
109.06541	4.8
109.10121	4.0
109.16399	2.2
111.39075	2.4
115.03930	9.1
121.06493	3.2
127.11175	2.6
131.08533	3.4
133.04973	11.5
135.08035	5.1
137.02354	3.9
137.09645	3.1
145.04982	4.9
147.16487	2.4
149.09607	3.3
151.11201	4.1
153.12737	8.0
155.14291	24.4
163.06039	3.8
171.43144	2.4
176.20378	2.2
177.12749	4.7
179.26151	2.5
184.95384	2.2
193.10182	2.0
195.13777	9.1
218.51930	2.3
229.05020	3.5
235.47862	2.8
243.08777	4.6
253.14200	2.7
255.11566	2.9
271.15427	5.5
285.03955	2.6
289.90140	2.6
301.05878	2.5
303.04956	39.5
333.06119	2.5
378.15259	3.2
430.25897	6.7
447.17587	5.6
448.26828	8.0
465.18491	4.5
465.26291	7.2
466.27966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99226	0.4
64.15516	0.4
65.03933	4.9
67.05498	0.5
67.19854	0.4
69.03431	1.0
69.61691	1.4
81.03408	0.6
85.02904	3.7
91.07489	0.4
93.03394	1.2
93.07027	0.8
95.08577	0.6
95.73580	0.4
96.04459	0.9
96.76981	0.4
97.02859	2.1
97.06517	0.6
105.07030	0.4
107.08559	0.4
109.02829	0.7
109.10193	0.7
111.04413	1.2
121.02850	69.7
122.03193	1.2
124.03929	6.0
126.80909	0.4
127.03900	0.7
133.10077	0.4
139.03883	0.9
145.10107	0.6
148.03900	0.4
152.03406	100.0
153.03760	1.7
161.17255	0.4
164.03430	1.1
166.04959	1.0
170.64803	0.4
178.01372	2.5
184.06030	12.3
184.07660	0.8
194.04468	1.5
199.37445	0.5
230.04482	0.8
242.04388	0.6
260.05560	0.5
272.05499	39.8
273.06088	1.1
310.08954	1.3
314.08679	9.0
315.09012	0.5
332.19714	0.4
346.11298	5.2
426.97369	0.4
434.10745	7.3
466.28329	2.5
466.38708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42704	0.4
55.01864	0.6
55.85750	0.4
56.05027	4.5
57.05361	0.8
58.06592	23.8
59.06935	3.0
67.05489	1.7
68.05833	0.5
69.03427	0.5
69.44031	1.6
70.06581	69.1
70.13686	0.5
71.04987	1.9
71.06918	0.8
72.08150	3.8
73.08472	0.9
79.05482	2.0
79.15835	0.5
80.05020	0.6
80.05809	1.1
81.03407	1.5
81.07039	1.1
82.06607	0.5
84.08131	2.2
85.02896	1.8
86.09710	0.8
91.05477	5.1
92.05801	1.6
93.07033	1.6
94.07371	0.9
95.04953	1.0
97.02860	0.7
98.09682	8.2
99.10021	2.3
102.09161	1.1
103.05460	1.0
105.07039	2.3
106.07378	0.9
107.04926	1.2
107.08589	0.9
107.47942	0.5
108.05251	0.5
108.08115	6.9
109.02866	2.5
109.06487	1.1
109.08449	1.1
112.07587	58.8
113.07929	0.7
115.05400	0.5
116.07069	1.2
117.07018	1.8
118.07339	0.6
119.04917	2.4
119.08576	1.0
121.06524	0.8
122.09662	1.2
124.11226	2.0
125.11572	0.9
127.03884	0.6
128.06180	0.9
128.10719	1.1
129.06956	1.9
130.07365	0.8
131.08549	2.3
132.08905	1.3
135.07997	0.7
137.02354	0.6
137.05942	1.1
140.07040	37.5
141.07034	1.6
142.07332	1.0
143.08566	2.3
144.08929	1.2
145.10106	0.9
146.10468	1.0
147.04372	5.9
152.03461	0.6
152.10704	0.8
153.06934	0.9
154.12260	1.8
155.08498	1.7
155.12656	1.0
156.08931	1.2
157.10123	1.6
158.06895	0.8
158.08095	6.1
158.10393	0.6
159.08101	0.8
165.07048	0.7
166.07735	0.7
167.08502	1.8
168.08931	0.7
169.09978	0.6
170.10480	1.1
171.11653	0.6
179.08459	1.8
180.08971	0.8
181.10098	1.5
182.10464	0.8
183.11661	1.2
184.07384	1.5
185.09605	0.8
192.09135	0.8
193.09904	0.9
195.11732	0.6
196.11969	0.6
198.13608	1.2
203.08459	1.1
204.09001	0.8
206.10532	1.0
207.11537	0.7
208.12009	0.8
210.13457	0.6
211.11029	0.7
217.09882	0.5
218.10567	0.7
219.11418	0.9
230.05200	0.6
230.10452	0.6
231.11249	0.6
233.13008	0.7
234.13585	0.6
235.14464	0.5
242.10291	0.6
246.13533	0.8
248.15253	0.6
266.10184	2.2
266.16284	0.9
284.11282	4.2
302.12140	0.5
303.05008	3.3
304.05283	6.7
341.23257	0.9
355.24884	0.9
359.24466	0.6
373.25961	0.7
401.25021	1.9
402.25494	0.7
405.24274	0.6
415.26505	1.7
416.27267	0.6
432.27240	1.0
433.27734	21.9
434.28134	11.8
448.27130	0.9
465.30368	100.0
466.30869	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
56.05017	7.1
56.96554	2.1
57.03429	19.0
58.06592	46.0
59.04981	3.8
61.02908	7.2
65.03951	3.0
66.88721	1.9
67.05495	3.7
69.03419	64.0
69.07040	2.7
70.06568	5.0
71.04954	3.0
71.55350	2.7
72.08139	5.0
73.02910	26.2
75.04440	2.7
79.05472	5.9
81.03397	9.9
83.04946	2.2
85.02892	62.8
87.04462	31.3
91.05470	15.8
95.04928	3.5
97.02883	58.0
98.09692	3.0
98.97551	3.9
99.04422	4.1
105.07028	6.0
107.04907	4.9
108.08077	4.3
109.02843	4.4
109.44088	2.7
111.04448	2.7
115.03919	48.7
115.05498	2.6
116.98608	2.3
119.04924	9.5
120.08050	2.6
121.06462	4.9
123.04430	5.1
127.03915	11.0
128.06165	3.1
129.06940	5.4
131.08530	4.9
133.04953	46.3
133.05981	3.1
133.06430	3.5
137.02327	3.4
137.05957	100.0
138.06383	2.6
141.06906	5.3
142.08667	4.8
143.08479	2.5
145.04967	12.7
145.06502	3.8
145.94577	2.6
147.04343	3.2
147.08046	2.8
149.05942	6.0
150.07619	8.3
151.03822	3.5
151.07555	9.4
155.07022	13.3
155.08167	2.1
157.06476	5.1
161.05989	6.2
161.09569	3.8
163.06009	3.5
165.05446	17.7
165.06874	3.8
167.07059	4.3
167.08508	2.4
175.07523	6.3
179.06981	18.3
184.09647	3.7
187.07457	3.4
191.06903	2.6
195.11804	2.3
203.06961	5.8
205.08536	3.2
221.08014	5.3
233.08069	12.9
249.12727	3.2
251.09012	13.4
259.08270	2.8
263.09103	5.9
268.11688	4.4
281.10147	4.2
286.12860	2.8
304.13687	8.1
362.68433	2.5
374.22916	3.1
388.24957	5.4
390.19058	2.8
406.26001	2.8
427.75006	2.7
434.25775	4.7
448.21744	3.7
448.27713	13.8
466.23380	38.3
466.27905	98.4
467.28522	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2431
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
56.05029	7.9
58.06593	6.6
58.77082	0.4
65.03938	0.9
67.05508	0.7
69.28459	1.5
70.06593	1.0
71.04993	0.6
72.08160	0.9
75.04487	0.4
79.05500	0.9
80.05016	0.5
81.07035	0.4
82.06551	0.5
84.08147	0.4
85.02914	0.4
88.07619	0.5
89.96066	0.4
91.05492	1.3
93.03396	3.0
93.06998	0.6
94.06578	0.6
94.48246	0.4
96.08130	0.4
97.06519	0.5
98.09707	0.6
98.23485	0.5
102.09170	1.7
103.05494	0.5
105.07057	0.6
108.08098	5.2
111.04439	0.5
117.07014	0.9
119.08531	0.4
122.09704	1.1
124.11233	0.5
125.05962	2.2
128.06258	0.6
129.07002	1.5
131.08577	1.3
141.06990	1.2
142.07756	0.5
143.08562	1.2
145.10040	0.5
146.09625	0.6
154.12274	1.6
155.08549	1.2
157.06453	0.6
159.08112	0.7
165.06981	1.1
166.07867	0.5
167.08592	1.2
169.06453	0.8
169.10150	1.1
171.08057	0.9
173.09654	0.4
178.07785	0.7
179.08539	1.7
181.10158	1.5
183.08131	0.7
183.11687	0.4
185.09697	0.6
186.12747	0.6
191.08533	0.9
192.09363	0.8
193.10106	2.2
195.11656	2.3
197.09619	0.4
199.59158	0.4
200.14294	0.6
201.09100	0.5
203.08534	0.8
204.09435	0.6
205.10103	1.9
207.11688	2.5
209.09637	0.6
211.11147	0.6
217.10057	0.7
218.66670	0.4
221.09669	1.0
223.11174	1.1
225.12820	0.6
233.09641	0.9
235.11145	2.1
237.12766	0.6
239.10757	0.6
241.12346	0.4
253.12251	0.7
255.13860	1.0
263.10733	0.7
267.13751	0.9
281.11871	0.5
283.13022	0.5
296.16385	0.6
303.05038	1.2
304.05341	2.7
384.17856	0.8
386.19751	0.6
416.20435	5.2
448.23138	53.0
449.23401	2.7
466.23837	100.0
467.24197	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	466.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.7
57.03435	11.4
57.07052	1.4
58.06583	2.1
61.02905	2.1
67.05493	4.1
69.03069	1.6
69.03427	31.6
71.04980	1.8
73.02917	11.1
79.05482	6.0
81.03432	1.8
81.07049	92.5
82.07404	1.5
85.02404	2.1
85.02901	36.7
87.04457	20.5
91.05489	1.7
93.07077	1.3
94.19643	1.1
95.08591	10.3
97.02887	33.5
99.04441	1.7
105.03364	3.4
105.06997	1.5
109.02827	1.3
109.06526	1.6
115.03925	37.7
121.10132	1.2
127.03937	9.2
130.04919	2.4
133.03940	1.9
133.04956	41.3
137.13239	100.0
138.13576	3.3
145.04956	10.7
149.05972	5.9
150.07593	6.2
163.06015	6.2
223.05977	2.3
238.63635	1.0
241.07059	2.3
259.08102	5.3
277.09009	2.8
295.10208	4.8
317.19366	1.4
330.20963	1.1
448.27048	2.4
457.73300	1.2
466.22327	2.2
466.28403	23.1
467.28482	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02345	1.6
57.03425	4.1
59.04968	1.8
61.76563	1.1
61.90452	1.3
67.05482	2.3
69.03419	14.8
73.02911	2.1
73.63175	1.4
79.05465	7.2
80.11329	1.2
81.07043	100.0
81.10383	1.4
85.02898	17.4
87.04440	9.6
91.05463	1.5
93.07074	2.0
93.26389	1.3
95.08585	9.0
97.02882	14.9
105.03365	10.3
115.03913	26.5
123.11668	1.4
127.03933	2.7
133.04941	27.3
137.13234	29.3
145.04930	5.0
149.05969	17.4
150.06293	3.5
150.07495	2.9
151.06517	1.7
163.05965	2.9
183.07993	1.5
241.06934	1.8
250.83688	1.4
259.08084	3.3
295.10181	4.1
317.19550	1.6
344.25510	2.2
360.43216	1.2
431.94586	1.3
442.13226	1.2
466.28732	41.3
467.29022	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	4.6
57.07056	1.8
61.02924	1.2
65.60081	1.0
67.05500	3.0
69.03417	13.3
69.07051	3.2
69.13818	7.2
73.02911	2.0
79.05487	8.9
80.11935	1.0
81.07043	100.0
82.07359	1.2
85.02893	13.0
87.04457	10.2
91.05492	1.1
93.07022	2.7
95.04948	1.4
95.08582	16.5
97.02882	11.5
107.08595	1.5
109.06506	1.1
109.10138	3.9
115.03910	19.4
119.08553	1.3
127.03904	3.0
129.99866	1.0
133.04951	20.8
137.13245	21.0
145.04951	3.3
152.03452	2.2
155.14268	1.6
163.06104	1.2
183.13618	1.0
259.08118	1.9
272.89328	1.1
448.26785	1.6
466.22253	1.5
466.28308	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	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05499	1.1
57.03422	4.0
57.07054	2.4
65.03911	1.4
67.05501	5.8
69.03416	20.6
69.07061	3.6
69.21377	6.7
69.53071	1.1
73.02895	1.6
79.05482	7.8
81.07043	100.0
85.02892	15.9
87.04461	15.4
95.08598	20.6
97.02879	16.8
98.23431	1.9
109.02836	1.1
115.03907	24.8
119.08585	0.9
121.02846	11.8
124.03922	1.3
127.03891	2.0
133.04945	32.8
137.13239	23.7
145.04924	3.9
150.07579	3.5
152.03389	13.4
163.06042	1.6
184.06059	3.2
241.07094	1.3
253.20547	1.0
259.08109	1.1
272.05560	4.8
277.09201	1.7
295.10153	2.0
304.08109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56705	0.3
56.05021	2.0
58.06593	6.3
62.01458	0.3
67.05480	0.6
68.05000	0.3
69.20104	0.9
69.20505	0.9
69.55793	0.3
72.08150	2.0
75.04481	0.4
79.05471	0.8
81.07032	0.4
83.47604	0.3
84.08149	1.6
85.02892	0.4
88.07629	0.9
91.05470	2.3
93.07048	0.8
96.08118	1.9
98.09686	0.5
98.22638	0.6
101.36469	0.3
102.09190	0.9
103.08082	0.3
105.07030	1.4
107.04944	1.4
108.08092	3.1
109.06542	0.4
110.09687	0.9
114.09157	1.0
115.05466	0.7
117.07023	1.5
118.99421	0.3
119.04922	0.4
119.08599	0.6
121.06468	0.5
122.09647	1.3
123.08103	0.4
126.09133	0.7
128.06219	0.9
129.06996	2.6
131.08540	1.3
133.10060	0.4
134.09656	0.6
135.07999	0.8
137.05974	0.8
138.09140	1.2
140.10686	4.9
141.06975	1.4
143.08531	1.7
145.10078	0.5
147.08040	0.7
151.07587	0.4
153.07013	0.4
155.08562	1.6
157.10152	1.1
159.08070	0.3
161.09715	0.3
164.10608	0.5
165.06940	0.4
166.07697	0.4
167.08600	1.5
169.10115	0.8
172.11226	0.4
174.12802	0.7
178.07819	0.5
179.08572	1.6
180.09354	0.3
181.10085	1.6
183.11668	0.5
186.12784	0.7
191.08475	0.3
192.09305	0.6
193.10143	1.2
195.11693	0.6
197.09579	0.4
200.14264	1.6
201.15112	1.0
203.08661	0.4
204.09244	0.4
205.10086	0.8
207.11699	0.9
211.10945	0.4
214.32048	0.3
221.09619	0.4
221.13322	0.8
223.11229	0.7
225.12646	0.4
235.11270	0.4
237.12762	0.6
251.14240	0.6
251.61452	0.3
281.15289	0.4
294.18640	0.5
309.50500	0.3
310.18219	0.3
312.19638	0.4
324.19662	0.6
326.21133	1.0
330.20813	0.4
338.21115	0.7
356.22327	1.1
374.23340	0.5
384.21487	0.6
386.23227	1.2
388.25012	0.7
390.22678	0.9
398.23138	1.6
406.25888	0.6
416.24176	4.1
417.24207	0.5
430.26315	0.7
448.26886	12.9
449.27194	1.0
466.27954	100.0
467.28241	7.7
487.64178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2795
Annotation	Lys Tyr Arg
Peak:m/z	Relative Intensity
56.05026	1.5
58.06595	8.3
64.64214	0.4
67.05495	0.5
69.49538	0.7
69.49912	0.7
71.04980	0.9
72.08161	2.9
79.05508	1.1
80.22771	0.4
84.08139	1.1
85.02888	0.7
85.05595	0.4
86.09695	4.0
88.07626	0.6
91.05454	2.3
93.07050	0.7
98.09697	0.8
102.09188	1.2
102.87646	0.4
103.05454	0.5
105.07058	1.0
107.04939	1.4
108.08099	4.4
109.06528	0.8
110.09640	0.6
114.09199	0.6
115.05353	0.5
117.07007	1.2
119.08591	0.8
121.06520	0.9
122.09657	1.8
124.11191	2.0
128.06219	1.0
129.02689	0.4
129.06987	2.2
131.08543	2.3
135.08067	0.6
137.05972	1.2
141.06999	1.4
143.08575	1.1
147.08052	0.5
148.11218	0.4
152.10687	0.4
154.07742	0.4
154.12251	3.9
155.08525	2.0
157.10143	0.9
159.08015	0.5
161.09656	0.4
165.06923	0.7
166.07840	0.4
167.08553	2.0
169.10097	0.7
171.08066	0.5
172.11378	0.5
174.12762	0.5
179.08563	1.1
181.10095	1.3
183.11697	1.0
191.08638	0.7
192.09357	0.5
193.10106	1.2
195.11725	0.9
197.09616	0.5
200.14429	0.7
203.08478	0.5
204.09358	0.5
207.07928	0.4
207.11754	1.1
209.13199	0.4
211.11208	0.9
217.10069	0.6
219.11711	0.5
223.11205	0.6
225.12753	0.7
249.12762	0.8
271.13400	0.6
302.99969	0.5
306.18460	0.8
338.21167	0.7
398.23251	2.9
412.24698	0.7
416.24234	0.9
430.25732	5.3
431.26407	0.5
448.26865	10.5
449.27289	0.9
466.27948	100.0
467.28287	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	466.2797
Annotation	Lys Tyr Arg
Peak:m/z	Relative Intensity
52.84763	0.3
56.05024	2.0
56.05260	0.4
58.06594	6.3
67.05489	1.0
69.45700	1.5
71.04970	1.0
72.08147	3.2
75.04443	0.3
79.05475	1.0
79.64097	0.3
80.05032	0.4
81.07087	0.4
84.08129	1.1
86.09733	0.4
90.74815	0.3
91.05478	2.0
93.07034	0.6
95.04941	0.5
96.08131	0.5
98.09685	0.9
102.09167	2.7
105.07024	1.2
107.04949	0.8
107.08537	0.3
108.08101	4.9
110.09601	0.3
115.05423	0.4
117.06994	1.2
119.04931	0.5
119.08562	0.4
121.06509	0.6
122.09660	2.2
123.04439	0.5
124.11265	1.7
128.06207	0.8
129.06984	1.4
131.08575	1.4
133.06488	0.3
135.08017	0.3
136.07451	0.4
137.02290	0.4
137.09625	0.4
141.06956	1.5
142.07809	0.4
143.08543	1.8
145.10078	0.9
152.10706	1.2
153.06981	0.6
154.12242	4.8
155.08508	1.7
156.09389	0.3
157.10097	0.9
159.08069	0.3
165.06985	0.8
166.07816	0.3
167.08531	1.5
169.10146	1.0
171.11818	0.4
174.12729	0.7
178.07726	0.7
179.08521	1.2
180.09102	0.3
181.10098	1.4
183.11691	0.7
186.12784	0.7
192.09390	0.4
193.10121	0.9
195.11665	0.4
197.13263	0.5
199.11153	0.4
200.14456	0.7
204.09370	0.4
205.10085	0.5
207.11848	0.6
209.09613	0.4
211.11090	0.3
212.14333	0.5
213.15031	0.5
216.09225	0.4
219.11758	0.4
221.13199	0.7
223.11165	0.5
233.13197	0.6
235.14763	0.4
237.12933	0.3
239.10933	0.3
268.48416	0.3
304.05441	0.8
312.19659	0.4
324.19608	0.4
325.70383	0.4
356.22272	0.7
384.21533	2.5
388.20932	0.7
390.22668	1.0
398.23126	1.1
400.04123	0.4
412.24976	0.3
416.24237	5.3
420.24506	0.4
430.25540	1.0
434.25293	0.7
448.26877	13.4
449.27097	1.0
466.27948	100.0
467.28299	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	466.2795
Annotation	Dehydrodeltatsine
Peak:m/z	Relative Intensity
58.06593	32.9
67.05490	0.6
69.03425	1.0
70.05381	1.2
71.04984	0.6
73.02897	1.0
79.05499	1.5
81.07039	0.7
84.08156	0.5
85.02874	2.1
91.05459	3.4
93.07034	2.1
95.04964	1.0
96.08110	0.9
97.02901	1.4
98.09686	2.7
103.05475	1.1
105.07012	1.7
107.04968	0.8
108.08079	0.7
109.06505	0.8
111.55815	0.5
115.03918	0.9
117.07011	1.3
119.04934	0.8
119.08547	0.5
121.06494	0.6
126.09119	0.5
128.06238	0.8
129.06985	1.7
131.08612	1.5
133.04947	0.6
134.09651	0.5
135.08055	1.1
137.05937	3.6
138.09163	1.0
141.07002	0.5
143.08545	1.5
145.04929	0.5
145.10118	0.5
147.08022	1.2
147.26421	0.4
148.70221	0.4
155.08551	1.3
157.10133	0.8
159.08049	0.9
160.11134	0.5
161.09633	1.9
164.10608	0.7
165.06990	1.0
167.08586	1.4
169.10117	0.6
171.08031	0.8
173.09679	1.3
178.07895	0.7
179.07140	0.7
179.08592	1.5
181.10150	1.0
183.08023	0.6
191.08542	0.6
192.09386	0.7
193.10095	1.0
195.11728	0.9
198.12811	0.6
203.08675	0.5
204.09270	0.5
205.10107	0.8
207.11702	1.7
208.13388	0.6
209.09708	0.6
212.99632	0.5
218.10939	0.5
219.11581	0.6
221.13324	1.2
223.11192	1.1
223.14949	0.6
231.11850	0.7
233.13144	0.8
235.11209	0.6
236.16510	0.9
237.12738	0.7
249.12627	2.8
251.09120	0.6
261.12900	0.6
267.13992	0.6
281.15500	0.7
324.19458	0.7
338.21112	0.8
342.20993	0.6
356.22284	1.0
370.23660	1.0
398.23489	0.6
416.24429	1.5
430.25882	1.8
434.25403	1.5
448.26953	21.8
449.27304	1.6
466.28006	100.0
467.28412	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	467.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96281	1.1
56.96552	11.6
57.97307	0.6
62.86857	0.7
70.30536	1.0
70.30860	0.6
72.32490	0.5
84.96015	6.3
98.22799	0.8
98.97565	100.0
99.97836	1.0
100.99133	1.2
107.04932	0.8
110.97548	7.3
112.99105	12.6
116.98601	39.0
119.00130	1.0
124.99131	1.8
128.98584	8.5
131.00139	10.7
134.99638	8.0
136.08928	0.6
136.26118	0.6
137.01118	0.7
140.98561	2.5
143.00130	5.9
144.98024	0.9
146.99648	3.1
149.01195	3.6
152.98572	1.9
155.00110	0.7
156.98108	0.6
158.99637	9.2
161.01190	13.4
161.02478	1.1
162.12366	0.6
162.99170	0.9
165.31467	0.7
168.97945	0.7
170.99602	3.6
172.94357	0.9
173.01184	6.1
174.99149	1.1
177.00664	7.7
179.02238	30.0
182.99596	0.8
185.01213	2.1
187.02762	1.3
189.00740	2.2
190.80223	0.6
191.02275	4.4
191.82829	0.6
194.99623	1.2
195.01511	0.7
197.03296	16.5
201.00682	5.8
203.02252	2.8
205.03931	0.9
207.01695	0.8
213.00613	1.1
218.99582	1.4
219.01720	25.9
221.03230	4.2
232.96465	0.6
233.03311	3.2
235.04997	0.7
237.02774	33.0
238.03250	0.8
239.04364	1.0
243.01695	0.7
243.87692	0.6
245.03244	1.3
255.03848	1.8
257.03351	1.4
261.02783	5.1
263.04291	7.7
265.05655	0.9
274.97699	1.0
275.04321	2.3
279.03809	4.6
281.05423	6.5
287.04193	0.8
293.05490	2.9
305.05371	5.3
323.06421	70.7
324.06732	1.7
341.07483	55.1
342.07666	1.4
363.05917	2.7
365.07495	59.0
366.07837	2.1
383.08527	24.5
389.07401	1.1
407.08536	28.4
408.08957	0.8
467.11157	9.5
468.26422	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	467.1163
Annotation	BENFOTIAMINE
Peak:m/z	Relative Intensity
56.42724	0.6
56.96549	0.6
57.11021	0.6
71.34253	0.6
71.42743	0.7
72.78079	0.7
75.51250	0.7
76.12950	0.6
98.97567	5.9
112.99084	1.0
115.50363	0.6
116.98560	2.1
131.00159	1.4
136.89102	0.6
141.06850	0.8
146.31107	0.7
149.01216	1.5
161.01241	1.2
179.02248	1.7
196.33786	0.6
197.03267	0.8
219.01744	2.4
237.02689	2.0
281.32089	0.7
293.05310	2.1
293.08566	0.8
310.94476	0.9
311.06424	1.0
323.06354	4.1
341.07516	2.9
365.07367	3.0
383.08545	1.5
407.08667	2.1
467.11404	100.0
468.11588	5.0
468.25745	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2483
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
57.03423	1.8
59.04991	1.5
59.91598	1.4
64.12332	1.7
69.03415	4.4
69.07057	5.9
69.34843	6.1
71.08623	56.0
76.91882	1.4
81.03414	1.4
81.07046	3.1
85.02887	6.4
91.37490	1.3
95.08625	2.6
97.02872	4.4
99.08083	100.0
105.06998	1.5
107.08549	1.6
115.03897	3.0
129.12770	11.6
133.04936	2.0
133.10162	1.5
155.14244	1.8
167.02184	1.5
173.15355	45.7
177.40170	1.4
236.21126	1.5
269.22644	1.8
303.07001	1.5
380.08060	1.6
405.64087	1.7
435.16077	3.8
467.18323	3.3
467.28387	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52663	1.6
55.05489	6.8
57.03425	7.8
57.06811	2.8
57.07068	37.2
58.95868	1.5
67.05496	12.5
69.07051	8.9
71.08620	22.8
74.28771	1.8
81.07044	12.6
83.08607	11.6
85.10164	14.0
89.06023	19.2
91.05519	1.7
95.08598	20.3
97.10133	2.4
98.98451	56.5
102.25179	1.8
104.77164	1.7
109.10114	9.2
123.11671	3.3
133.08559	9.6
136.99953	4.4
155.01025	58.8
173.11900	1.9
175.39220	1.9
177.11209	3.7
195.78123	1.9
239.23689	6.7
283.17493	9.3
293.13229	2.0
313.27322	100.0
314.27686	3.9
449.26450	15.9
467.28619	4.0
467.35028	8.7
468.28967	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	468.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.5
56.87071	0.4
56.96563	8.8
58.06571	0.7
62.44746	0.3
67.05466	0.5
70.98097	0.7
71.95258	0.6
80.06709	0.4
83.97611	2.9
97.99159	1.3
98.91934	0.6
98.97575	13.2
98.98224	0.7
104.82865	0.3
111.35880	0.4
116.00202	6.2
116.98600	11.4
134.01247	2.2
134.99635	7.2
140.00185	0.6
153.00650	0.9
166.04971	1.4
169.03662	0.5
177.09033	0.4
187.03854	0.5
192.02890	4.4
195.01601	1.5
203.67288	0.4
215.03378	0.8
225.01785	1.0
248.08966	0.5
261.01978	0.5
271.02362	5.3
278.02469	1.3
281.04858	0.4
293.04767	0.6
296.03528	3.7
297.04428	0.5
298.04990	0.7
298.69077	0.4
308.03397	0.6
309.04318	0.6
310.04996	0.4
311.05902	1.3
312.03006	0.7
313.04077	0.4
314.04617	1.1
321.04080	3.1
323.05621	0.6
324.03018	1.6
324.06647	1.5
325.03726	0.8
325.07297	0.6
326.04507	2.5
327.05240	2.1
329.07068	0.7
330.04214	0.7
332.05341	0.6
336.02698	0.5
337.03589	0.5
338.04211	0.9
339.05334	6.5
340.02448	0.9
340.06091	0.4
341.03186	1.1
341.07031	0.6
342.04068	2.9
342.07651	0.7
343.04568	0.5
345.06271	0.5
348.05487	0.5
350.07010	0.9
351.05173	0.5
353.06235	0.5
354.03818	0.8
354.07678	2.2
355.04852	2.4
356.05576	0.8
357.06393	34.8
358.06812	1.7
359.04022	1.0
359.08072	0.6
360.05011	0.8
362.06866	1.3
363.07642	1.8
364.04636	0.6
364.08560	2.6
366.03253	2.0
368.08115	0.8
369.06247	1.8
370.07309	0.7
371.08041	0.8
372.08777	0.9
373.05923	1.1
375.07446	23.2
376.07825	1.2
378.06311	2.3
380.08157	6.8
381.08984	3.6
382.09573	8.0
384.04941	6.2
387.07281	0.7
392.07910	0.9
393.09256	0.5
395.07831	1.8
396.07474	3.6
397.08224	0.9
398.09219	6.6
399.09283	0.5
400.10242	1.0
403.10193	0.5
408.11038	12.7
409.11380	0.7
410.08972	2.6
411.10251	3.0
413.08939	3.0
414.08640	1.7
425.07944	3.5
426.12183	100.0
427.12662	5.5
429.10864	2.1
436.06503	4.0
440.95300	0.4
444.13263	29.1
445.13562	1.6
449.13861	6.5
450.13940	0.8
453.10751	1.3
467.14777	1.1
468.13251	48.9
468.29282	3.8
468.63165	0.4
469.13455	3.1
486.14291	12.6
487.14392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.5
56.96565	0.6
58.06327	0.6
58.06593	6.0
61.02908	0.6
67.05481	0.7
68.05025	0.7
71.04980	0.4
72.08142	2.3
79.05480	2.3
80.05013	0.4
81.03412	0.4
81.07043	0.7
84.08128	2.7
85.02892	1.4
86.09695	0.9
91.05462	1.9
93.07005	0.9
95.04980	0.8
96.08096	1.7
103.05424	0.4
105.06989	1.9
107.04939	10.4
108.08099	5.0
110.09654	0.5
111.08051	1.0
114.09179	0.8
115.05480	0.7
119.08536	0.7
120.08087	0.5
121.02824	0.7
121.06503	0.7
122.09663	1.2
124.11213	0.9
125.05978	0.5
126.09138	1.8
128.06215	1.0
129.06992	1.7
131.08536	2.1
133.06522	0.9
133.10149	0.4
137.05945	0.9
138.09131	1.3
140.10741	1.4
141.07022	0.7
143.08542	1.1
144.56053	0.3
145.02881	0.7
145.06483	0.9
145.10135	0.4
149.19926	0.4
154.12148	0.8
155.08548	0.8
157.06447	0.7
157.10149	0.4
159.08067	1.0
160.11227	0.7
165.06949	0.7
166.07750	0.4
166.80943	0.4
167.07132	0.5
167.08554	1.0
169.10120	0.5
171.08023	0.4
171.11740	0.4
172.11301	0.7
174.12769	0.6
177.05495	0.8
179.08560	1.1
181.10155	0.7
185.09532	0.5
188.14302	0.7
191.08514	0.4
192.09293	0.7
193.10133	1.2
195.11613	0.7
197.09547	0.8
202.12241	1.0
205.10107	0.6
206.15500	0.5
207.11714	0.8
211.11163	0.7
223.11250	0.6
237.12744	0.5
298.17831	0.4
340.19153	1.1
344.18448	0.9
354.20560	0.7
358.20169	0.9
372.21695	2.0
390.22754	2.7
414.22821	0.6
418.22406	0.6
424.12000	0.5
432.23767	2.6
436.23199	1.4
450.24805	16.6
451.25232	1.6
468.25888	100.0
469.26474	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	468.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.4
56.05034	1.8
58.06593	5.5
65.03932	0.8
67.05491	0.7
69.03409	0.6
69.78579	0.5
69.78910	0.5
70.06583	1.2
71.04987	1.3
72.08142	1.2
75.04461	0.8
79.05486	1.5
80.04993	0.6
81.03399	0.6
81.07028	0.4
83.04981	0.5
84.08140	0.9
85.02898	2.5
89.03905	0.4
91.05469	1.4
91.05988	0.3
93.03407	1.5
93.07021	0.5
95.04951	1.0
96.08108	0.6
97.02907	0.6
97.06535	0.4
98.09668	0.3
102.09193	2.1
103.05460	0.4
105.07007	0.9
107.04946	1.2
108.08109	5.0
109.02874	0.5
109.06480	0.8
110.09637	0.4
111.04425	0.7
111.08056	0.7
112.07607	0.9
114.10295	1.1
115.05454	1.0
120.08118	0.4
121.02859	1.2
121.08841	0.5
122.09671	1.2
123.04415	1.3
124.11233	0.7
127.03893	0.6
128.06221	0.9
129.06985	2.0
131.04907	0.3
131.08577	1.6
131.12910	0.6
133.06450	0.6
133.50452	0.3
135.04411	0.4
136.03899	0.9
138.09125	0.6
139.03917	0.8
139.48494	0.3
140.10686	0.4
141.07002	1.2
143.08568	1.6
145.02834	5.5
145.06549	0.4
145.10094	0.8
146.09682	0.4
149.05902	0.6
151.07613	0.4
152.10699	0.8
153.05493	1.0
154.12312	0.9
155.08546	0.7
156.08043	0.4
158.09628	0.9
159.10361	0.5
160.11157	0.8
161.09650	0.4
162.01869	1.4
162.09140	0.4
165.07019	0.4
167.08533	0.9
168.06577	0.5
169.06458	0.4
172.11218	0.4
174.12741	0.9
177.05441	10.6
179.08569	0.7
181.10156	0.4
183.08070	0.5
183.11685	0.3
186.12784	1.2
188.14359	0.5
190.12230	0.7
191.08543	0.4
193.10146	0.5
195.08035	0.5
197.09547	0.7
200.07039	1.4
205.10133	0.4
207.08139	0.5
210.12831	0.3
214.04951	0.8
218.15393	0.5
220.16997	0.4
223.11189	0.5
228.06467	1.8
233.09689	0.4
235.11217	0.5
245.69621	0.3
248.12860	0.3
256.06027	8.0
274.07080	3.4
288.08591	1.6
290.14981	0.9
307.17603	1.7
386.19537	0.7
399.00934	0.4
400.21399	0.7
406.22098	0.5
418.22244	5.3
432.23694	1.0
436.12320	0.6
436.23438	1.3
450.24850	22.5
451.25195	1.5
468.25876	100.0
469.22794	4.2
469.26373	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	468.2951
Annotation	Browniine
Peak:m/z	Relative Intensity
50.04783	0.3
56.05024	0.9
57.60946	0.3
58.06594	4.1
59.04982	0.6
61.02911	0.7
67.05486	0.4
68.05017	0.3
69.10281	2.1
69.10674	0.7
70.07722	0.3
71.04967	1.4
72.08138	0.8
75.04485	0.8
79.05494	0.7
82.06545	0.4
84.08120	1.6
85.02908	0.3
86.03168	0.3
88.07620	0.4
91.05466	1.6
93.07021	0.6
95.04961	0.5
96.08115	0.7
100.07559	0.4
102.09140	0.6
105.07024	1.1
107.04955	0.5
108.08090	1.7
109.06486	0.7
119.04885	0.4
122.09621	1.6
123.04436	0.6
123.08049	0.5
124.07571	0.4
128.06224	0.6
129.06987	1.4
131.08575	0.8
133.76233	0.3
134.55057	0.3
135.08011	0.3
137.06009	0.9
141.06924	0.8
142.07767	0.4
143.08531	0.6
146.09671	0.4
152.10687	1.5
153.06985	0.6
154.12270	0.4
155.08516	1.5
157.06377	0.3
157.10017	0.4
158.09677	0.6
159.08046	0.5
160.11232	0.4
165.07030	0.7
166.07748	0.4
167.08554	1.2
169.10094	1.1
171.08051	0.5
172.11217	1.2
173.09744	0.5
178.07678	0.7
179.08569	1.1
181.10117	0.8
182.11757	0.9
183.07925	0.4
184.11264	0.7
185.09583	0.6
185.11949	0.6
186.12761	0.6
190.12219	0.5
191.08517	0.8
193.10141	1.1
195.11713	0.7
196.11179	0.4
204.09364	0.4
205.10156	0.5
207.11749	0.7
210.12694	0.4
212.14360	0.5
219.11697	1.0
221.09755	0.5
222.12869	0.4
223.11137	0.6
233.13312	0.3
247.11143	0.4
272.80267	0.4
279.13675	0.4
292.16949	0.7
296.16599	0.4
297.14661	0.6
322.17899	0.8
328.19287	0.6
336.19434	0.6
340.19101	0.4
342.20700	0.6
354.20480	1.6
360.21735	1.3
368.22177	0.6
372.21713	1.3
378.23001	0.4
386.23047	3.6
404.24268	3.1
418.25815	9.0
419.26154	0.5
436.26810	3.6
450.28607	2.1
468.29517	100.0
469.29715	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	468.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	1.6
58.06590	6.2
61.02915	0.9
69.91278	1.1
71.04980	1.3
72.08160	2.8
79.05476	1.3
80.05018	0.6
82.06542	0.5
84.08132	2.5
86.09706	1.7
91.05470	1.9
93.07043	0.5
95.04942	0.9
96.08097	0.7
96.27981	0.4
102.09171	3.6
105.07023	1.2
107.04945	10.8
108.08115	5.8
114.09140	0.5
119.08517	0.6
121.02868	1.2
121.06509	0.8
122.09658	1.6
124.11260	0.8
128.06216	1.4
129.07001	2.3
130.38297	0.4
131.08559	1.7
133.06589	0.6
140.10649	0.6
141.06984	1.0
143.08566	1.2
145.10086	1.0
146.09569	0.5
152.10652	0.6
153.05453	0.5
154.12274	1.7
155.08543	1.3
158.09669	0.7
160.11168	1.2
167.08540	0.9
171.08090	0.9
172.11296	0.6
174.12770	0.8
175.11079	0.5
178.07802	0.9
179.08528	1.2
181.10138	0.6
185.09608	0.7
186.12784	1.0
188.14320	1.1
191.08569	0.5
193.10138	0.8
197.09631	0.7
202.12196	0.9
203.08533	0.5
204.09373	0.5
205.10098	1.3
207.11702	0.6
209.09576	0.7
211.11426	0.5
214.12148	0.6
215.12947	0.6
219.11696	0.8
220.16949	0.5
228.13797	0.5
235.11163	0.5
238.15974	0.6
239.10645	0.8
247.11130	0.5
260.16504	1.2
265.12195	0.5
279.13846	0.5
322.18005	1.0
346.86365	0.6
354.20624	1.8
372.21341	0.8
386.23441	2.6
404.24182	3.5
405.24512	0.6
418.25674	1.2
436.26917	23.0
437.27258	1.4
468.29523	100.0
469.29892	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	468.3081
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	0.6
56.05033	1.1
57.03430	1.0
57.07067	3.5
58.06589	1.6
60.07868	0.9
60.08154	15.8
62.02795	0.4
67.05486	1.4
69.07050	0.8
71.07359	5.9
71.08614	2.0
79.05420	0.7
81.07026	1.2
85.10177	1.0
86.09692	48.8
89.05997	0.6
91.05474	0.6
95.08588	1.9
98.22595	0.8
98.98449	3.6
104.10726	95.9
105.11050	0.8
107.08601	0.6
109.10123	0.8
115.57341	0.5
124.99985	26.6
160.64799	0.5
184.07315	100.0
185.07669	0.9
208.94997	0.5
258.11029	1.1
285.24179	1.9
323.32910	0.5
353.70267	0.5
450.29626	7.7
468.30658	23.2
469.30893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36874	1.4
54.81348	1.3
55.05510	5.6
57.07071	72.1
62.06092	4.2
67.05499	2.7
69.07053	8.9
71.04987	2.2
71.08624	49.9
73.06550	4.4
79.05497	3.0
81.07044	14.3
83.08612	5.9
85.09683	3.1
85.10170	39.1
87.04482	4.5
87.52388	1.5
87.54125	1.4
89.06023	100.0
92.82979	1.3
93.07038	1.9
95.08599	5.2
97.10159	4.4
98.98476	3.4
99.11734	8.4
99.12290	1.5
103.49427	1.7
107.07051	4.4
109.10156	3.3
111.11709	6.0
113.13271	5.4
117.09113	3.3
121.10148	2.0
130.08656	2.6
133.08586	62.5
136.12016	1.8
139.09204	1.4
139.72234	1.5
155.01024	3.6
169.19537	1.7
177.11208	23.7
195.12225	4.0
213.22063	1.7
221.13824	2.2
239.14920	4.0
257.24701	3.7
283.17490	27.3
294.27560	1.9
301.27316	2.2
314.27612	3.2
327.28955	17.4
407.33749	1.7
451.36172	23.1
452.36465	2.3
468.30460	5.1
468.38382	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06610	0.7
60.05655	1.7
69.03408	0.5
69.65504	0.4
70.06593	0.8
70.56528	0.5
72.08147	5.9
77.01826	0.3
79.86459	0.3
81.03461	0.4
84.08166	0.4
85.02913	1.2
89.03897	2.6
91.05507	0.4
95.96410	0.4
97.07645	1.9
98.06050	0.8
103.05463	0.4
108.08110	1.0
109.08427	0.4
110.07153	0.7
114.10271	13.1
115.08683	3.7
117.03361	10.9
123.04385	0.4
131.12900	3.6
135.04420	0.9
145.02826	51.6
146.03146	1.3
149.05957	4.6
151.07460	0.5
154.12241	0.6
157.10796	1.2
163.03874	0.6
177.05446	100.0
178.05763	2.8
179.73404	0.4
193.09969	0.4
232.12067	0.5
239.11243	0.4
247.14453	3.0
248.12764	4.8
257.06253	0.5
265.15543	0.4
290.14938	7.0
305.83047	0.3
307.17618	14.5
335.40805	0.4
419.22083	0.6
420.23532	0.6
438.24792	0.4
451.25287	2.7
452.26199	0.9
469.22540	72.7
470.12607	0.6
470.21664	1.6
470.28122	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	469.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15540	0.3
65.86575	0.4
70.06583	100.0
70.67966	0.5
70.68309	0.4
71.06918	1.4
77.58941	0.4
81.07065	0.4
86.06068	0.7
86.09695	31.3
87.10018	0.4
142.21426	0.3
146.11737	3.6
183.14917	1.5
211.14445	0.9
227.13852	1.2
243.17004	58.8
244.17273	1.6
324.19073	0.7
356.25327	1.5
470.28653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57403	0.9
55.05506	2.8
55.16599	1.1
57.03432	7.6
58.06589	2.3
65.53613	0.9
67.05496	7.5
68.42789	1.1
69.03425	17.4
69.07063	14.7
69.19713	6.2
73.02908	2.5
73.06566	1.1
79.05499	1.9
81.07050	18.9
85.02894	27.6
87.04459	10.1
95.08591	81.9
96.08945	1.9
97.02251	2.1
97.02877	38.6
97.06537	4.4
99.04450	4.8
99.08083	3.2
103.03968	2.6
111.08053	1.8
113.09610	8.1
115.03915	26.6
115.04688	1.6
115.07562	24.7
116.04364	1.1
123.08056	39.0
127.03957	1.9
129.09084	2.2
133.04942	9.1
141.09087	84.2
142.09453	2.9
145.05013	1.3
150.07603	1.3
157.08647	1.1
159.10144	100.0
160.10582	2.0
164.07048	1.7
170.52640	1.2
194.54523	1.0
217.47842	1.0
219.10251	1.0
255.12473	1.7
264.70407	0.9
266.15604	1.2
289.11429	1.2
291.14194	1.2
321.15582	1.3
470.13361	2.2
470.29041	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	470.2744
Annotation	Ser His Val Lys
Peak:m/z	Relative Intensity
56.05018	0.4
57.07019	0.2
58.06588	1.1
59.46248	0.2
67.01966	0.2
67.05515	0.5
69.54412	0.8
70.06570	0.8
70.87851	0.2
71.04980	0.9
75.04462	0.3
79.05465	0.4
82.06519	0.2
84.08121	0.7
85.02905	1.4
87.04459	0.4
88.07611	1.1
91.05469	1.1
91.74025	0.2
93.07047	0.4
94.06552	3.9
95.04942	0.3
95.07404	0.3
96.08119	0.3
97.02882	0.3
97.06512	0.4
100.11235	0.4
105.07012	0.7
107.04974	0.6
108.08105	1.7
109.06538	0.5
110.09679	0.7
111.04494	0.2
115.05434	0.3
117.07021	0.7
119.04923	0.3
120.08047	0.4
125.02328	1.8
128.06218	0.7
129.05356	0.2
129.06989	1.2
131.08562	1.0
134.09604	0.3
137.05998	0.2
138.09113	0.7
140.10670	2.2
141.06975	1.2
142.07777	0.2
143.08527	1.7
145.06473	0.4
145.10179	0.3
146.09630	0.4
153.06895	0.5
154.07774	0.6
155.08600	1.5
157.10153	0.6
159.08031	0.5
160.11157	0.4
161.09665	0.3
165.06987	0.7
166.07671	0.4
167.08568	1.0
169.10112	1.0
170.09685	0.3
171.08057	0.5
171.11668	0.6
172.11130	0.4
173.09604	0.3
174.12747	0.3
178.07793	0.5
179.08571	1.2
181.10143	0.9
182.11060	0.3
183.08145	0.4
183.11655	0.3
185.09583	0.5
189.12776	0.3
191.08516	0.4
192.09184	0.3
193.10175	1.1
195.08078	0.3
195.11691	0.9
197.09642	0.4
198.12785	0.9
199.11223	0.4
202.07799	0.3
203.08542	0.4
204.09268	0.4
205.10054	0.5
207.08105	0.5
207.11620	0.7
209.09575	0.7
211.11125	0.3
217.10056	0.5
220.08775	0.3
221.09615	0.6
221.13255	0.3
223.11128	0.4
235.11078	0.7
247.11081	0.5
249.12720	0.3
267.13800	0.4
310.15039	0.3
324.15945	0.4
342.16977	0.3
356.18414	0.8
359.48172	0.3
374.19595	0.8
376.21164	0.4
378.19189	0.9
388.21170	0.8
406.22189	3.8
408.23944	0.4
410.21655	0.2
420.23813	0.6
438.24817	21.7
439.25262	1.5
470.27420	100.0
471.27792	5.9
486.75427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2745
Annotation	Ser His Val Lys
Peak:m/z	Relative Intensity
56.05021	0.6
56.96545	0.3
58.06328	0.5
58.06593	5.7
61.02923	0.3
69.03385	0.3
69.28477	1.4
71.01329	0.3
71.04981	0.5
72.08141	0.7
79.05465	0.9
79.84602	0.3
84.08122	1.6
85.02881	1.0
86.09648	0.3
91.05449	1.2
93.03385	0.5
95.04948	0.4
96.08139	0.7
97.06481	0.4
98.97575	0.5
100.07556	0.4
101.19208	0.3
105.06987	0.6
107.04930	7.0
108.08090	1.3
112.07631	0.3
115.05422	0.4
117.07021	1.0
122.09667	0.4
126.09169	0.3
129.06978	1.5
130.07802	0.3
131.08549	0.9
136.07570	0.5
136.13284	0.3
138.09102	1.5
140.10677	0.7
141.06969	0.8
143.08589	0.5
145.06454	0.5
146.09579	0.4
147.08025	0.4
152.10649	0.4
153.06970	0.4
155.08601	0.8
157.06517	0.5
157.10132	0.3
158.09628	0.7
159.08028	0.7
160.11183	1.0
165.06960	0.3
166.35295	0.3
167.08528	1.0
169.06491	0.5
171.08054	0.5
172.11154	1.7
174.12790	0.7
177.05426	0.7
178.07703	0.6
179.08530	0.8
181.10103	0.6
183.08046	0.4
184.11137	0.4
185.05663	0.3
185.11934	0.5
186.12773	0.6
188.10757	0.5
189.00725	0.3
191.08549	0.8
193.10088	0.5
200.10666	0.4
202.12256	0.8
204.13792	0.7
209.09637	0.5
217.10109	0.5
219.01657	0.4
221.09654	0.7
223.11136	0.4
228.13782	0.5
235.11261	0.4
237.09059	0.5
251.10771	0.4
254.15524	0.5
270.72696	0.3
272.24478	0.3
282.14639	0.3
308.16357	0.4
338.17487	1.3
340.19025	1.2
344.18448	0.7
356.18848	0.3
356.25952	0.3
358.20175	0.5
370.19968	0.9
388.21069	1.9
390.22623	0.6
402.22824	0.6
406.22244	0.7
420.23761	7.7
421.23770	0.4
434.25464	0.6
438.24683	3.1
450.56320	0.3
452.26559	1.9
470.27441	100.0
471.27789	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	470.2744
Annotation	Ser His Val Lys
Peak:m/z	Relative Intensity
50.17840	0.3
55.17197	0.4
56.05022	0.9
58.06593	4.9
61.02912	0.6
66.93603	0.3
70.56469	0.3
72.08151	0.4
75.04456	0.4
79.05478	0.6
81.07066	0.4
81.26666	0.4
83.04935	0.4
84.08128	1.1
85.02881	0.4
88.07594	0.6
91.05467	0.8
105.07019	1.1
107.04939	6.1
107.26622	0.3
108.08102	1.3
115.05458	0.5
117.07023	0.9
118.59052	0.3
119.08616	0.4
121.02840	0.4
122.09673	0.4
128.06190	0.7
129.06982	2.3
131.08549	1.0
131.51297	0.3
138.09142	0.8
140.10727	0.4
141.06976	1.2
143.08583	0.6
145.06480	0.6
145.22031	0.3
152.10660	0.5
154.07687	0.4
155.08522	0.7
158.09616	0.7
159.08148	0.5
160.11218	0.7
165.07007	0.7
167.08559	0.8
169.24702	0.4
172.11270	1.3
174.12808	0.4
179.08537	0.5
181.10161	0.5
182.11807	0.5
184.11249	0.6
185.09616	0.5
185.11954	0.6
186.12743	0.8
191.08539	0.6
193.10130	1.0
195.11754	0.4
202.12213	0.5
204.13937	0.3
205.10214	0.4
212.10735	0.5
214.12312	0.5
216.13852	0.4
217.10081	0.5
219.11627	0.4
221.09654	0.4
223.11195	0.4
228.14018	0.4
230.11833	0.4
283.79947	0.4
308.16571	0.4
320.16486	0.5
338.17474	1.1
340.19131	0.5
344.18619	0.7
352.19208	0.5
362.19269	0.5
370.19980	1.3
388.21109	2.1
402.22598	1.2
406.21924	0.5
420.23807	8.5
420.29233	0.6
421.24167	0.9
434.25189	0.7
438.24817	3.1
452.26462	2.2
470.27463	100.0
471.27853	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	470.2745
Annotation	Ser His Val Lys
Peak:m/z	Relative Intensity
56.05025	0.6
58.06335	0.3
58.06586	2.3
59.04988	0.4
61.02913	0.9
64.38228	0.3
67.05503	0.3
69.03403	0.5
69.43626	1.0
70.06577	2.4
71.01347	0.5
71.04978	0.9
72.08141	0.7
74.06062	0.5
75.04475	0.6
79.05482	1.1
81.03394	0.5
82.06577	0.7
84.08134	0.7
85.02892	0.9
85.45826	0.3
86.09716	0.3
88.07616	0.8
91.05468	1.2
94.06548	1.4
95.04961	1.0
95.08601	0.3
96.08101	0.5
97.06531	0.8
105.07035	0.9
107.04945	0.8
107.07333	0.4
108.08122	1.9
109.02884	0.8
109.06551	0.4
113.06023	0.4
114.10287	0.5
116.24247	0.4
117.07010	0.7
119.04990	0.4
120.08039	0.6
121.06486	0.6
122.09656	0.5
123.04390	0.8
123.08073	0.5
124.07585	0.7
126.09193	0.3
127.03933	0.3
128.06221	0.6
129.06973	1.7
131.08543	0.9
134.09703	0.3
135.08054	0.5
137.05994	0.4
138.09145	1.1
141.06955	0.8
143.08527	1.3
144.08089	0.8
145.02835	0.7
145.06476	0.6
145.08850	0.4
145.10060	0.4
146.03145	0.5
146.09671	0.6
152.10678	0.4
153.05429	0.3
153.07027	0.6
155.08565	1.4
157.08859	0.7
157.10126	0.5
158.09679	1.3
159.08043	0.6
159.10289	0.7
161.09731	0.4
161.83861	0.3
164.07079	0.4
164.10721	0.3
165.06981	0.9
167.08569	1.0
168.10211	0.7
169.10120	0.4
170.09621	1.5
171.08058	0.5
171.10394	0.8
172.11218	1.3
173.09659	0.6
176.10622	0.7
177.05389	1.6
178.05798	1.7
178.07649	0.6
179.08557	1.0
181.10141	0.9
183.08049	0.6
184.11229	0.9
186.12848	0.5
187.11159	0.6
188.10687	0.4
192.09346	0.4
193.10126	0.9
196.11198	0.7
197.09599	0.9
198.12744	1.1
202.07861	0.5
202.12178	0.5
203.08745	0.4
204.09393	0.4
205.10075	0.5
207.11749	0.5
209.09581	0.4
214.12273	0.5
217.10188	0.3
219.11688	0.5
221.09621	0.8
223.11270	0.7
233.09911	0.4
245.30627	0.3
247.11179	0.3
249.12642	0.6
252.13721	0.4
294.14932	0.8
306.15210	0.5
312.15686	0.4
324.15536	0.5
327.15805	0.4
330.16983	0.4
338.17560	0.5
344.18643	0.9
345.16870	0.7
356.18216	1.5
362.19687	1.1
374.19455	1.8
388.21127	4.5
402.22614	0.6
406.22324	2.5
420.23761	8.8
420.29193	0.6
421.24207	0.4
438.24762	4.4
452.26266	4.6
470.27466	100.0
471.27802	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	471.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.2
58.06586	6.0
67.05502	16.4
69.03421	15.0
69.07067	4.6
69.54053	6.1
69.54424	6.5
70.06582	6.0
71.04987	58.1
72.08134	4.6
79.05527	4.5
81.03416	11.3
81.07045	40.0
82.31975	3.8
84.08159	4.4
85.02897	20.9
85.06536	15.5
89.29384	3.1
91.05471	6.0
95.04968	4.2
95.08611	10.1
96.08935	3.7
97.02879	11.5
97.06599	4.1
98.97585	3.5
99.04475	4.5
108.08089	3.7
109.02905	9.0
115.03898	7.6
119.04924	23.6
123.11705	12.7
127.03974	6.1
129.09145	4.1
137.05988	3.9
141.09109	5.3
141.12732	64.0
142.09483	5.6
145.05016	4.5
147.04385	100.0
159.10120	6.7
159.13803	36.6
160.10555	5.9
165.05481	8.1
166.73564	3.5
177.05516	6.1
177.10213	4.0
177.14839	45.3
222.97371	3.6
241.01941	3.5
247.14368	9.8
291.08636	17.0
297.08466	7.4
309.09702	11.4
309.18170	5.4
389.45087	3.5
453.26788	6.5
471.13828	5.9
471.22198	4.8
471.27863	77.1
472.25537	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	472.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67838	0.3
64.70923	0.3
67.05476	0.4
70.06566	0.7
70.64354	0.4
71.04985	0.4
75.04479	0.5
79.05486	0.4
81.03419	0.3
84.08124	0.4
85.02908	1.1
87.04459	0.5
91.05471	0.4
94.06570	1.0
95.04947	0.7
97.02911	0.4
105.07059	0.4
107.04923	0.4
108.08128	0.5
109.06596	0.3
111.04433	0.3
117.07019	0.7
117.59113	0.3
123.04362	0.3
124.07561	0.3
125.02372	0.8
125.95755	0.3
128.06250	0.4
129.07045	1.2
131.08539	0.5
138.09142	1.4
139.03964	0.3
141.06989	1.0
143.08554	0.6
144.08038	0.4
145.06503	0.6
154.07640	0.5
155.08546	0.9
157.06392	0.3
158.09663	0.5
159.08067	0.5
162.09109	0.3
165.06950	0.8
166.07777	0.4
167.08548	1.3
169.06514	0.4
169.10123	0.4
170.09676	0.4
171.08057	0.6
172.11267	0.5
179.08488	0.8
181.10107	1.0
183.08031	0.4
193.10173	0.7
195.08090	0.5
196.11131	0.5
197.09528	0.4
198.12798	0.4
202.07858	0.4
205.10103	0.8
207.08083	0.7
209.09671	0.6
215.08720	0.4
217.10266	0.5
221.09630	0.5
223.11148	0.4
226.12242	0.5
233.09653	0.5
235.11171	0.5
304.08865	0.3
310.14474	0.6
328.15317	0.3
340.15219	0.3
342.16797	0.5
346.16406	0.4
348.18018	0.4
354.16843	0.5
360.18060	0.5
364.17444	3.9
372.18015	0.7
378.18915	1.4
390.19043	1.3
404.20578	3.1
408.20105	0.7
422.21619	2.3
436.23291	5.4
437.23700	0.5
440.22763	2.6
454.24353	4.1
472.25360	100.0
473.25803	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	472.2537
Annotation	Glucolanomycin
Peak:m/z	Relative Intensity
51.07388	0.3
54.39838	0.3
55.01860	0.4
58.06590	0.9
64.16422	0.3
67.05448	0.3
70.06573	0.8
74.06059	0.6
79.05481	0.6
81.03391	0.5
82.06578	1.1
85.02886	1.4
86.06073	0.3
87.04440	0.7
88.07616	0.4
91.05489	0.7
94.06553	1.6
95.04943	0.7
96.08147	0.4
97.02896	0.8
103.05518	0.3
104.07063	0.3
105.07009	0.7
107.04940	0.4
108.08100	0.7
109.02823	0.3
109.06506	0.5
114.24374	0.3
117.06989	0.6
123.04414	0.4
124.07603	0.6
125.02333	1.1
126.09144	1.1
129.06979	1.2
131.08568	1.2
132.08125	0.4
138.09122	0.4
141.06982	0.9
143.08580	0.9
145.10112	0.5
147.08020	0.4
155.08524	0.7
157.06435	0.5
157.10085	0.4
158.09673	0.3
159.08002	0.3
160.11182	0.5
161.05922	0.3
165.06964	0.6
167.08603	0.9
169.06369	0.4
170.09607	0.4
171.08003	0.8
172.11160	0.4
179.08527	1.0
181.06427	0.4
181.10121	0.7
182.07222	0.3
183.07988	0.5
188.10704	0.3
191.08586	0.4
193.10086	0.7
195.11739	0.4
197.09644	0.5
202.07726	0.3
205.10077	0.7
207.08032	0.5
209.09601	0.9
211.11127	0.3
221.09502	0.6
225.09035	0.5
233.09630	0.4
235.11255	0.4
237.09070	0.3
251.10696	0.6
286.08493	0.3
358.16385	0.4
360.17920	0.4
364.17468	1.9
372.18005	0.9
374.51208	0.3
378.19083	0.5
386.19446	0.3
390.19141	1.8
392.20840	0.4
404.20294	1.5
408.20200	1.4
422.21643	4.3
436.23230	2.5
440.22748	9.4
441.23206	0.5
454.24255	2.5
472.25336	100.0
473.25714	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	472.2536
Annotation	Glucolanomycin
Peak:m/z	Relative Intensity
55.01881	0.5
57.95605	0.3
69.07877	0.4
69.65003	1.4
70.06572	0.6
71.04961	0.5
74.06061	0.5
75.04479	0.5
79.05503	0.7
82.06571	0.8
85.02898	1.1
87.04479	0.6
91.05465	0.7
94.06585	1.1
95.04948	0.5
98.22763	0.8
107.07317	0.5
108.08115	1.2
117.06989	0.5
117.50246	0.4
124.07584	0.7
125.02356	1.5
128.06183	0.8
129.06996	0.8
131.04883	0.4
131.08595	0.7
138.09146	1.5
141.06978	1.2
143.08556	0.7
144.08096	0.6
145.06419	0.7
147.07950	0.4
154.07745	0.5
155.08571	1.0
157.06548	0.6
158.09673	0.4
159.08005	0.6
165.06956	0.5
166.07768	0.6
167.08568	1.8
169.10126	0.6
170.09592	0.7
171.08020	0.5
172.11221	0.5
173.09509	0.7
176.10722	0.4
178.07721	0.4
179.08572	1.3
181.06528	0.5
181.10123	1.0
183.08051	0.9
191.08635	0.5
193.10098	0.9
195.11781	0.4
202.12320	0.8
205.10110	0.9
207.07948	0.6
207.11658	0.7
209.09634	0.5
217.10132	0.6
233.09587	0.7
235.11203	0.7
310.14288	0.4
336.17813	0.5
354.17166	0.8
364.17538	4.0
372.18076	1.0
373.87323	0.5
378.19122	1.4
390.19006	1.4
404.20602	3.3
408.20160	1.1
422.21744	2.1
436.23224	7.5
440.22629	2.1
454.24335	4.6
472.25351	100.0
473.25726	7.4
495.59793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.5
55.01851	2.6
57.03429	3.6
60.38985	2.2
67.05491	5.2
69.03430	16.8
69.07047	4.0
69.23004	4.7
69.23408	8.6
71.04961	2.4
79.05491	2.9
81.03403	24.0
81.07035	14.6
83.61720	2.4
85.02895	100.0
86.06037	2.3
87.00815	8.1
89.82994	1.9
90.25050	2.1
91.05487	3.9
93.06995	2.9
95.08588	5.3
97.02884	11.7
98.23384	5.0
99.04455	9.1
103.03958	3.5
105.01837	6.2
105.06998	6.0
109.02853	19.9
109.06496	3.0
109.10138	13.5
119.08552	5.0
121.06474	2.8
121.10072	7.0
123.11691	81.9
124.12033	2.9
125.05969	7.2
127.03900	25.9
131.08624	2.4
145.04985	6.1
145.10143	3.5
147.04385	4.0
147.11642	4.9
149.09590	6.6
151.07521	5.1
166.40924	2.3
167.10701	7.6
189.12743	6.6
190.81190	2.4
198.11200	6.0
207.13782	47.6
221.72484	2.2
225.14821	44.4
231.04955	4.9
360.16452	7.9
366.39658	2.3
455.19147	2.9
473.19778	9.7
474.28247	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01865	3.7
55.05504	66.5
57.03432	27.4
57.07068	50.8
58.06607	1.2
59.04998	2.7
59.17133	1.2
65.03931	2.2
67.05495	71.9
69.03432	1.4
69.07059	85.8
69.24346	6.7
71.04984	4.8
71.08260	2.1
71.08624	26.3
73.06557	2.8
74.04424	1.2
74.98412	1.2
75.04471	8.5
78.89577	1.1
79.05480	30.6
81.07045	91.1
82.07392	2.2
83.04976	5.5
83.08610	64.2
85.06537	4.7
85.10171	16.6
87.04456	2.3
89.06055	2.1
89.64687	1.1
91.05487	8.3
93.07031	38.8
93.07590	2.3
95.04945	4.1
95.08592	100.0
96.08908	1.8
97.06525	19.7
97.10159	44.9
99.08074	4.4
99.11745	1.8
101.06010	3.4
105.04510	1.7
105.07030	4.3
107.08579	33.1
109.06519	1.5
109.10139	41.7
111.08073	12.9
111.11703	12.4
113.06010	1.9
115.07590	4.2
119.08565	2.5
121.10132	42.8
123.11693	21.0
125.09607	12.3
125.13277	3.6
129.07066	1.4
129.09143	3.6
131.07031	3.5
131.08580	3.2
133.10141	3.9
135.10687	1.0
135.11668	28.4
137.09622	1.3
137.13216	5.8
139.11189	11.1
143.10663	3.5
147.11674	3.0
149.13228	19.4
151.14841	4.4
153.12718	9.6
157.12242	3.3
161.13220	1.3
163.14798	12.9
165.16478	2.4
167.14326	6.9
171.13737	2.0
175.14856	3.3
177.16403	5.2
179.17735	1.4
181.15808	6.2
189.16412	2.6
191.17982	4.3
195.17497	3.3
197.08234	1.8
199.16917	2.9
205.19514	4.1
207.17455	2.2
209.18964	3.1
213.18430	2.2
215.58627	1.3
223.20558	1.4
227.20093	2.9
261.25751	18.0
271.24289	2.5
279.26740	18.7
289.25256	13.2
297.27789	2.6
307.26285	24.1
316.86261	1.1
323.67703	1.2
325.27689	3.4
337.87054	1.3
343.28375	96.6
344.28674	2.3
347.36362	1.4
368.16248	1.3
381.29971	51.7
382.30457	4.6
387.61850	1.5
399.31036	63.1
400.31445	3.7
455.33734	11.5
473.34698	52.1
474.35037	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	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27488	0.2
52.19213	0.3
58.06582	0.2
59.78279	0.2
65.03912	0.4
66.37853	0.2
69.03416	0.3
70.06579	0.7
71.43389	0.3
74.06068	0.4
79.05478	0.4
81.03399	0.4
82.06567	0.3
83.04991	0.3
85.02881	0.8
85.03335	0.2
86.06054	0.4
86.09685	0.3
87.04468	0.3
91.05476	0.8
91.96017	0.2
94.06551	0.9
95.04948	0.7
97.02866	0.6
105.07040	0.4
107.04941	0.3
109.02876	0.5
110.06017	0.3
110.97541	0.2
111.04446	0.7
115.05420	0.7
117.07002	0.8
121.06489	0.4
123.04433	0.7
124.07587	0.5
125.02275	0.4
125.05972	0.4
128.06206	0.5
128.98608	0.3
129.07025	1.8
131.04892	0.3
131.07382	0.3
131.08545	1.6
133.06459	0.3
137.06003	0.4
139.03877	0.6
139.19318	0.2
141.06967	1.0
143.08534	0.4
144.08098	0.5
145.06464	1.0
145.08855	0.8
146.09636	0.6
147.08052	0.5
153.05446	0.5
153.06937	0.5
155.08507	0.6
157.06477	0.4
158.09628	0.7
159.08046	0.5
160.11176	0.5
162.09145	0.5
165.06973	0.5
166.07613	0.3
167.08559	0.5
169.06447	0.5
171.08040	0.8
172.11264	0.4
179.08478	0.6
181.10129	0.4
183.08095	0.5
185.09673	0.6
188.10709	0.7
190.12218	0.3
191.08514	0.4
193.10074	0.4
195.08038	0.6
196.11194	0.3
197.09569	0.5
200.10556	0.3
203.08537	0.3
205.10104	0.6
206.10043	0.3
207.08022	0.6
209.09651	0.5
211.07587	0.3
212.10664	0.4
219.08084	0.5
221.09575	0.9
225.09074	0.4
226.12260	0.4
232.13216	0.4
233.09599	0.5
235.07497	0.3
237.09212	0.4
238.12059	0.4
263.73862	0.3
356.14795	0.4
358.16891	0.3
362.16052	0.9
370.16476	0.5
380.16980	0.7
388.17374	1.0
394.18045	0.3
406.18546	2.8
420.20337	0.6
424.19550	1.1
426.21005	0.4
438.21149	7.7
439.21613	0.5
456.22192	5.1
474.23260	100.0
475.23593	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	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	0.3
58.06580	0.3
59.14728	0.2
65.03952	0.3
70.06568	0.5
71.43156	0.2
74.06072	0.3
79.05485	0.3
81.03413	0.4
82.06567	0.4
84.08138	0.3
85.02895	0.7
87.04463	0.4
91.05472	0.9
93.07026	0.2
94.06578	1.1
95.04944	0.5
97.02893	0.6
97.06537	0.3
97.80911	0.2
98.97562	0.4
105.07054	0.3
107.04955	0.3
109.02862	0.4
111.04425	0.4
112.07571	0.3
115.05429	0.5
117.07017	1.0
119.04926	0.3
119.08556	0.3
121.02862	0.5
121.06463	0.2
123.04408	0.7
124.07592	0.9
125.02310	0.7
125.05999	0.5
126.09126	0.2
128.06215	0.6
129.06992	1.6
131.04890	0.2
131.08530	1.5
132.08104	0.2
133.06456	0.4
137.05968	0.3
139.03940	0.3
141.06964	0.9
142.71216	0.2
143.08563	0.5
144.08084	0.3
145.06490	0.9
145.08890	0.4
146.09634	1.0
147.07983	0.5
153.06960	0.2
155.04865	0.3
155.08582	0.8
157.06483	0.6
157.08823	0.2
158.09648	0.9
159.08044	0.6
159.10454	0.3
160.07574	0.2
160.11227	0.5
162.09065	0.2
164.10649	0.3
165.07063	0.3
167.08543	0.5
169.06531	0.3
170.09647	0.6
171.08064	0.7
172.11223	0.3
176.10794	0.3
178.07747	0.5
179.08548	0.7
181.10100	0.3
183.08020	0.4
185.06024	0.3
185.09627	0.3
186.09145	0.4
186.99220	0.2
187.07558	0.3
188.10733	0.6
190.12325	0.4
191.08591	0.3
193.10139	0.7
195.08032	0.6
196.11188	0.2
197.09660	0.7
200.10738	0.4
205.10321	0.2
207.08035	0.6
209.09592	0.4
211.07628	0.2
214.12215	0.2
219.08041	0.5
220.13307	0.2
221.09584	0.9
223.11247	0.2
225.09105	0.4
226.12202	0.2
231.08154	0.3
232.13365	0.3
233.09618	0.4
237.09035	0.4
244.13460	0.2
249.09073	0.5
358.16718	0.4
362.15958	1.0
376.17334	0.2
380.16928	0.9
388.17520	0.9
406.18637	2.3
408.20212	0.4
420.20239	0.7
424.19528	1.1
426.20990	0.4
438.15131	0.4
438.21179	8.5
439.21494	0.7
456.22174	4.8
457.22562	0.3
474.23273	100.0
475.23630	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	474.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78044	0.3
58.06590	0.9
59.04985	0.9
61.02920	0.3
67.05503	0.3
67.09218	0.3
69.03405	0.5
69.07079	0.4
72.08155	0.4
79.05492	0.6
80.05019	0.3
81.03386	1.0
81.07056	0.6
85.02894	1.7
85.84435	0.3
86.06036	0.6
86.09680	0.6
87.04435	0.4
91.05454	0.9
93.07030	0.8
94.06528	0.5
95.04937	0.4
95.08561	0.3
97.02856	0.6
99.04454	0.6
105.07017	1.1
107.08618	0.3
108.52159	0.3
109.02908	0.5
109.06478	0.4
116.10730	0.3
117.07040	0.5
119.08569	0.5
120.08082	0.4
121.06488	0.5
123.11668	0.4
125.05941	0.6
127.03902	0.4
131.08588	0.5
143.08588	0.7
144.08058	0.3
147.04388	1.1
155.08499	0.5
157.10030	0.4
169.10197	0.4
171.08073	0.4
181.10147	0.3
193.10219	0.7
195.11766	0.4
196.78580	0.3
198.11266	0.5
207.11757	0.4
207.13667	0.5
208.14134	0.4
209.15283	0.6
219.11838	0.3
223.11255	0.4
225.14803	0.7
226.15077	0.6
253.15900	0.4
282.18488	1.4
292.16827	0.6
301.07010	0.3
310.17941	5.1
310.21378	0.4
312.19543	1.9
328.19022	13.1
329.19183	0.8
346.19879	0.7
352.18915	0.4
357.44839	0.3
360.16595	0.6
366.89246	0.3
370.20096	0.9
382.20023	0.3
385.59442	0.3
388.21112	37.1
389.21381	2.6
414.22888	0.8
474.24792	100.0
475.19540	0.4
475.25351	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	474.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78044	0.3
58.06590	0.9
59.04985	0.9
61.02920	0.3
67.05503	0.3
67.09218	0.3
69.03405	0.5
69.07079	0.4
72.08155	0.4
79.05492	0.6
80.05019	0.3
81.03386	1.0
81.07056	0.6
85.02894	1.7
85.84435	0.3
86.06036	0.6
86.09680	0.6
87.04435	0.4
91.05454	0.9
93.07030	0.8
94.06528	0.5
95.04937	0.4
95.08561	0.3
97.02856	0.6
99.04454	0.6
105.07017	1.1
107.08618	0.3
108.52159	0.3
109.02908	0.5
109.06478	0.4
116.10730	0.3
117.07040	0.5
119.08569	0.5
120.08082	0.4
121.06488	0.5
123.11668	0.4
125.05941	0.6
127.03902	0.4
131.08588	0.5
143.08588	0.7
144.08058	0.3
147.04388	1.1
155.08499	0.5
157.10030	0.4
169.10197	0.4
171.08073	0.4
181.10147	0.3
193.10219	0.7
195.11766	0.4
196.78580	0.3
198.11266	0.5
207.11757	0.4
207.13667	0.5
208.14134	0.4
209.15283	0.6
219.11838	0.3
223.11255	0.4
225.14803	0.7
226.15077	0.6
253.15900	0.4
282.18488	1.4
292.16827	0.6
301.07010	0.3
310.17941	5.1
310.21378	0.4
312.19543	1.9
328.19022	13.1
329.19183	0.8
346.19879	0.7
352.18915	0.4
357.44839	0.3
360.16595	0.6
366.89246	0.3
370.20096	0.9
382.20023	0.3
385.59442	0.3
388.21112	37.1
389.21381	2.6
414.22888	0.8
474.24792	100.0
475.19540	0.4
475.25351	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	474.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05508	6.4
57.03430	7.6
57.06820	0.6
57.07068	8.6
58.81172	0.7
59.04979	1.9
64.15275	0.6
69.03059	1.4
69.03424	23.5
69.20069	4.2
71.01350	0.8
71.04987	0.8
72.08115	0.9
73.02911	1.3
79.05467	1.1
81.03384	1.4
83.08597	2.6
84.04456	0.7
85.02397	1.1
85.02895	18.3
86.06053	2.3
86.09709	1.0
87.03960	1.2
87.04459	16.9
89.06023	24.9
89.78561	0.6
91.05470	1.1
97.02876	16.9
98.22701	1.6
99.04364	0.9
101.09646	10.7
105.07001	0.9
107.07056	25.8
109.02882	1.1
109.06450	0.7
115.03922	22.7
116.10707	1.1
127.03903	1.6
133.04955	18.8
145.04970	1.9
147.04367	0.9
150.07600	1.5
163.13280	100.0
164.13669	2.0
169.04994	1.4
198.11250	4.6
280.11002	0.8
360.16602	4.0
369.22678	0.7
456.23544	2.1
474.24484	4.2
485.01831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.05509	12.9
57.07065	7.2
58.75317	4.2
67.05494	95.7
69.03422	11.9
69.07059	12.0
71.04995	5.7
77.13943	4.8
79.05474	49.5
81.06564	5.0
81.07041	100.0
83.08601	9.1
85.02891	22.8
85.06562	5.3
91.05453	24.5
93.07034	55.3
95.04979	7.5
95.08591	73.8
97.02885	6.4
99.04455	4.9
105.07018	20.4
107.08586	32.1
109.10140	44.3
114.10846	4.5
117.06986	11.3
119.08569	16.4
121.10135	33.0
123.11678	32.6
127.03910	6.5
131.08507	26.3
133.10083	24.1
135.11664	37.5
137.13278	9.9
145.10109	20.5
147.11670	11.8
149.09624	6.5
149.13229	28.9
159.11707	26.4
163.11121	7.6
173.13255	14.5
185.47272	4.5
189.16335	8.6
200.20091	9.1
205.19476	11.2
215.17888	68.3
220.27916	4.4
220.92766	5.0
233.18961	51.6
250.41451	4.9
256.26306	6.4
294.20953	4.4
295.22589	31.0
368.75961	5.0
425.12558	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	26.9
64.35922	2.4
68.05029	3.2
70.02950	17.4
71.01344	14.1
74.02438	2.8
78.10090	2.6
83.27856	2.7
88.03983	20.3
89.02407	7.0
96.00839	26.3
96.03872	3.8
96.04480	53.4
98.02413	23.5
98.23472	6.7
99.00802	15.0
108.93185	2.4
114.05535	7.6
116.03463	5.0
122.02355	13.3
126.01882	29.0
130.01360	3.5
140.03407	63.3
144.02908	100.0
144.10196	10.1
146.81781	2.7
158.04500	11.7
167.07097	2.6
168.02939	10.8
172.02367	12.5
182.08090	3.0
186.03989	9.4
196.09686	63.3
200.09103	13.3
214.10710	8.6
217.41174	2.4
228.08670	5.0
242.10153	17.2
245.88683	2.6
256.15475	8.6
270.17044	6.9
298.16443	93.7
302.15952	3.8
358.22214	60.5
372.23761	82.7
474.30530	63.6
475.30945	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	474.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
57.03426	5.9
57.07067	9.7
57.07330	0.4
58.06591	37.1
58.06868	1.3
58.60070	0.3
59.07373	10.8
60.08155	11.0
65.13491	0.3
67.05495	2.8
69.07061	1.9
70.49570	0.3
71.08623	5.4
73.02869	1.0
75.04470	3.3
79.05449	1.2
81.07045	3.6
83.04938	0.4
83.08599	1.7
84.08114	0.5
85.02883	2.1
85.10168	3.1
87.04457	4.6
91.05428	1.1
93.06990	1.2
95.04904	0.6
95.08591	3.6
97.06498	0.3
97.10120	0.8
100.11227	0.6
103.03884	0.8
105.05447	0.9
105.06979	0.4
107.08575	0.4
109.10116	1.3
113.05965	0.7
119.08583	0.5
123.11613	0.5
123.48758	0.4
131.07004	1.7
141.95294	0.3
144.10179	9.3
149.13246	0.4
162.11288	2.0
171.11681	0.5
177.89967	0.4
199.59731	0.3
200.12709	0.7
218.13896	0.7
236.14879	93.5
237.15198	2.2
313.27261	1.0
351.91220	0.3
398.09244	0.4
412.37671	0.8
456.36755	26.5
457.37155	1.0
474.37836	100.0
475.31104	0.9
475.38135	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01865	8.8
55.05253	2.1
55.05504	26.6
57.03419	6.7
57.07059	1.5
58.06577	5.0
59.04975	1.8
60.53693	1.4
65.03941	1.7
67.05491	34.7
69.03417	3.5
69.07052	9.1
69.14935	4.6
69.15343	5.6
70.06568	2.1
70.57877	1.3
71.04962	2.8
72.08137	3.5
75.04469	2.6
79.05482	37.2
79.94836	1.4
81.03406	17.6
81.07047	29.7
83.04964	4.9
83.08595	14.2
84.08133	1.8
85.06524	2.3
88.08600	1.5
88.45814	1.3
91.05468	28.9
93.07028	22.5
94.06590	1.5
95.04950	20.0
95.08585	15.2
97.06530	4.4
97.10153	16.7
102.09161	1.9
103.05456	2.4
105.03396	5.2
105.07011	19.3
107.04948	12.0
107.08588	15.1
108.08093	3.5
109.02862	9.1
109.06511	6.7
109.10147	13.6
111.08067	5.5
115.05410	3.8
117.07016	15.8
119.04918	3.0
119.08564	12.3
121.02821	2.2
121.06511	10.2
121.10133	6.1
123.04398	2.8
123.08058	6.3
125.02336	3.8
125.09593	8.8
128.06201	3.3
129.07010	13.4
131.04903	4.6
131.08543	14.9
133.06480	8.7
133.10139	3.0
135.04417	2.5
135.07994	7.2
135.11667	4.3
137.05983	3.5
137.09589	1.9
141.06978	5.6
142.07806	2.6
143.08566	6.3
145.06424	13.7
145.10078	10.5
147.04402	4.6
147.08028	10.7
147.11665	4.2
149.05989	2.4
149.09608	5.3
151.07564	2.3
153.09091	2.2
155.08525	8.0
157.06474	3.8
157.10110	6.0
158.07298	2.6
159.04427	1.6
159.08070	6.8
159.11697	3.8
160.05183	3.5
161.05954	25.1
161.09637	2.7
163.07568	2.0
163.11186	8.7
165.09135	3.8
166.07942	1.8
167.08543	5.0
169.06447	2.4
169.10141	4.2
171.08070	4.6
172.11078	1.7
173.05945	4.1
173.09579	7.5
173.11760	2.7
173.13129	1.7
175.07503	5.3
175.11188	3.2
177.09077	2.1
178.07816	2.2
179.08597	3.5
181.10121	4.7
183.08031	3.7
183.11743	2.9
185.09549	3.3
185.13289	2.5
187.07547	3.6
187.11241	2.5
189.09134	2.8
189.11130	4.0
191.09007	1.5
191.10646	2.9
193.10291	3.2
193.12234	8.6
195.11697	2.5
197.09637	1.8
199.11110	2.1
201.09180	2.2
203.10501	1.5
205.10286	2.0
205.12201	2.5
207.11700	1.8
211.07567	1.4
211.11095	3.6
213.12671	3.2
215.08621	2.1
219.13687	1.4
221.09462	2.0
225.12711	3.0
227.10686	2.1
229.12248	3.1
231.11626	2.4
231.13820	3.7
235.11101	2.1
237.13036	2.1
243.13754	5.8
269.15359	5.9
271.13293	6.0
273.14807	4.4
287.16318	2.1
289.14246	15.8
294.18375	2.0
337.21606	3.0
338.21411	2.5
355.22675	6.1
365.21176	13.1
370.23792	1.6
372.29303	1.8
380.21896	1.9
383.22089	71.3
384.22229	4.9
393.24234	2.4
401.23163	27.5
403.22546	2.3
412.24759	6.9
416.24182	6.8
419.24084	3.8
421.23682	4.1
431.24188	6.7
439.24835	9.6
440.25534	2.2
444.27353	30.3
445.25851	2.8
457.25809	45.2
458.25839	3.9
475.26859	65.6
476.24655	8.4
476.30112	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3415
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.03937	1.0
53.79619	0.5
55.01865	0.9
55.05504	5.7
57.07063	1.6
59.04982	0.7
65.03917	0.8
67.05497	9.8
67.05851	0.6
69.03416	1.9
69.07064	6.4
69.22894	3.0
71.04984	1.6
71.08617	0.7
76.11281	0.5
79.05043	0.7
79.05485	7.8
81.03418	2.5
81.07053	12.1
83.04966	1.2
83.08614	3.2
85.02889	1.6
85.06543	0.9
87.04494	0.5
88.98122	0.5
91.05472	6.6
93.07037	11.2
95.04955	3.5
95.08595	12.9
97.02888	0.7
97.06537	1.9
97.10180	1.4
98.22654	0.7
99.08087	0.9
105.03413	0.7
105.07019	10.8
107.04950	1.5
107.08584	12.1
109.06484	3.1
109.10133	9.6
111.04390	0.5
111.08077	1.7
117.07001	2.8
119.08569	10.0
121.06514	3.6
121.10138	6.4
122.20541	0.5
123.08062	3.2
123.11694	3.9
125.09626	1.1
127.03892	0.6
128.06189	0.6
129.07008	2.3
130.07779	0.8
131.08562	5.1
133.06508	1.3
133.10092	4.8
135.08025	4.1
135.11690	3.6
137.09584	1.3
139.07523	0.8
139.11151	0.8
141.07008	1.1
142.07744	1.2
143.08557	3.6
145.06462	1.9
145.10109	6.3
147.08040	3.0
147.11661	9.6
149.09624	1.6
149.13225	5.6
151.07584	0.8
155.06900	0.5
155.08540	1.7
157.10118	4.3
159.08038	2.3
159.11656	4.1
161.05968	1.0
161.09581	2.4
161.13258	2.1
163.11208	1.5
163.14792	1.0
165.09085	1.2
167.08527	0.7
169.08725	0.8
169.10130	1.9
171.08003	2.2
171.11679	3.4
173.09596	3.4
173.13245	2.1
175.11171	2.9
175.14836	1.2
177.16426	0.6
179.08572	0.7
181.10103	1.2
183.11726	1.4
185.09628	1.1
185.13289	1.6
187.11151	3.1
187.14822	0.8
189.12701	2.5
189.16370	0.6
191.10638	0.7
193.12244	1.2
195.11653	1.8
196.12471	0.6
197.09625	0.6
197.13249	1.5
199.11172	1.4
199.14804	1.6
201.12761	1.9
201.16455	0.6
203.14270	0.7
205.12196	0.5
207.11668	0.6
209.09813	0.6
209.13292	0.8
211.11038	0.8
211.14893	0.6
213.12747	3.4
213.16200	0.6
215.14304	0.8
221.13187	0.8
225.12862	1.1
227.14352	1.5
231.13757	1.7
234.52028	0.6
241.15901	1.0
245.15349	1.2
249.14722	0.6
261.14792	0.7
275.16440	0.6
277.17966	0.9
287.05585	1.6
297.22180	0.6
315.19452	1.0
317.21057	1.9
329.21237	0.6
333.24216	4.2
355.22665	0.6
369.24249	0.6
383.22107	1.3
421.31079	1.3
439.32138	2.0
457.26501	1.2
457.33118	2.9
475.34113	100.0
476.34680	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	476.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.06593	86.0
62.37961	0.4
69.03432	1.8
69.48454	0.7
69.48819	0.7
73.02905	0.5
81.03397	0.5
85.02876	2.2
90.82874	0.4
91.05469	1.2
95.04947	0.6
96.09373	0.4
97.02881	1.2
102.66614	0.4
107.04939	25.3
108.05245	0.6
109.27022	0.4
115.05450	1.4
117.07020	0.9
121.06480	4.1
127.03932	0.6
131.04903	1.0
137.05980	3.5
143.04916	2.4
145.06464	3.5
147.04398	0.6
147.08035	1.4
149.06020	0.5
150.06842	0.4
151.07520	1.6
160.05177	0.9
162.79518	0.4
163.07567	0.7
164.07048	1.1
175.07536	5.7
177.62338	0.5
191.08607	0.7
192.10225	1.9
193.10989	0.8
194.07204	0.8
209.09601	3.4
211.11150	0.7
219.08125	0.7
237.09024	3.6
239.10605	1.4
254.09418	0.6
269.11670	11.3
270.12054	0.7
271.13257	3.3
314.13983	0.7
314.17422	8.9
476.22717	100.0
477.23151	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	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.05489	4.7
57.07056	1.8
58.06578	3.2
58.07375	1.7
60.04507	4.4
67.05497	7.4
69.03423	2.6
69.07053	5.9
71.61166	1.8
79.05477	5.6
81.07047	8.5
83.08624	2.3
85.02893	3.9
86.06033	3.0
91.05466	7.8
93.07024	7.7
95.04950	2.5
95.08595	21.3
97.02912	3.0
105.07017	10.7
107.04936	3.0
107.08575	5.6
108.29948	1.9
109.02885	2.1
109.10140	22.3
111.04362	2.1
119.04967	1.9
119.08561	39.9
121.10091	3.4
123.11769	2.2
127.03867	4.4
132.08955	2.0
133.10110	46.6
133.11134	2.6
135.11668	9.0
136.07556	2.0
137.05942	4.7
137.09598	8.7
138.06302	2.1
145.04939	2.2
145.10129	2.4
147.04381	3.1
147.11633	10.1
149.13231	2.5
151.14778	4.5
154.08543	2.2
160.12479	3.4
161.05978	4.2
175.14789	100.0
176.15147	5.6
189.09077	2.5
193.15863	29.0
207.06448	3.5
210.35832	2.0
402.64267	1.9
440.29929	4.6
458.31180	4.1
476.20319	2.5
476.32480	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	476.2768
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
53.03926	0.9
55.01862	0.7
55.05507	8.1
57.03176	0.5
57.03431	6.5
57.07058	0.5
58.06578	0.4
62.06060	0.4
62.60171	0.3
65.03922	1.4
67.05494	28.4
68.05830	0.6
69.06709	0.5
69.07063	7.6
71.04988	0.7
76.26543	0.4
79.05483	15.0
81.07045	24.0
83.04987	0.7
83.08614	2.3
85.06514	0.9
88.64772	0.4
91.05466	7.7
93.06443	0.9
93.07033	15.6
95.04965	2.4
95.08593	19.2
97.06519	0.9
97.10151	0.7
98.06059	0.7
98.23444	1.3
98.98476	0.6
103.98182	0.4
105.04482	1.0
105.07020	4.4
107.08589	6.4
109.06482	0.3
109.10139	6.8
111.08046	0.6
114.09951	0.4
115.43537	0.4
117.07005	1.2
119.08575	3.4
121.10130	5.8
123.08025	0.8
123.11685	1.9
124.01569	0.8
125.35669	0.3
130.15567	0.4
131.08530	2.1
133.10120	2.3
135.11671	3.0
137.13243	0.6
145.10075	1.3
147.11665	1.6
149.13242	1.6
159.11682	0.7
161.13246	1.2
173.13255	1.0
187.14798	0.5
193.42172	0.4
198.05270	0.4
216.06319	0.8
261.22073	0.8
274.73672	0.4
298.29871	0.4
304.26401	3.0
335.25748	100.0
336.26114	4.2
458.39877	0.5
476.30035	0.5
476.40924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04103	1.4
53.17885	1.4
55.05505	10.3
57.03424	5.4
59.31795	1.3
62.06084	31.9
62.10820	1.4
62.51012	1.3
67.05499	33.8
69.07058	11.1
74.92847	1.4
79.05485	23.3
81.03378	2.0
81.07044	29.4
83.08613	4.7
91.05463	11.3
93.07037	23.1
95.04956	3.4
95.08594	21.5
97.06493	1.4
98.06039	6.7
98.22716	4.1
98.98451	10.7
105.07008	10.5
107.08577	12.1
109.10165	6.4
111.08092	1.7
117.06998	3.4
118.79576	1.4
119.08521	6.8
121.10128	9.8
123.11679	2.9
124.01575	2.0
131.08545	4.3
133.10126	5.9
135.11659	6.0
145.10042	2.6
147.11690	3.6
149.13239	4.2
155.01062	2.8
159.11662	2.5
161.13194	3.2
163.14821	1.9
173.02097	2.8
207.67822	1.9
216.06383	2.9
243.21109	2.1
261.22040	7.3
304.26303	32.3
305.26682	2.5
317.24826	2.0
319.00653	1.7
335.25748	100.0
336.26175	2.4
449.29770	1.5
458.26218	2.2
458.39981	10.7
476.28079	2.2
476.40735	8.4
477.28082	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3002
Annotation	Progeldanamycin
Peak:m/z	Relative Intensity
51.89461	0.3
54.80878	0.3
56.04989	1.0
58.06594	9.1
59.04972	0.4
67.05466	0.6
69.03389	0.4
69.23926	1.9
70.06557	0.8
70.62561	0.3
71.04945	0.5
72.08148	9.3
72.08520	0.3
79.05443	1.2
80.76441	0.3
81.07001	1.0
81.07436	0.3
82.06545	0.7
83.08582	0.4
84.08104	0.5
86.06013	1.0
91.05466	2.7
93.06995	1.3
95.04950	0.7
95.08575	0.9
96.08093	0.4
97.02828	0.3
98.09686	2.2
103.05447	0.5
105.07018	3.3
107.08553	0.7
109.06503	0.8
109.10104	0.5
110.09678	1.6
117.06956	1.0
121.06435	0.8
122.09655	1.5
124.11147	1.3
129.06975	1.9
131.08514	1.4
133.10066	0.9
135.08038	1.6
135.10416	0.8
135.11606	0.3
135.95450	0.4
137.05910	0.4
141.06937	0.6
143.08472	1.3
145.10071	0.8
146.09624	0.4
147.07979	0.6
147.11607	0.5
148.11168	0.5
153.01805	0.4
153.06979	0.6
155.08481	1.0
157.10031	0.8
158.09592	1.1
159.11617	0.6
160.11134	0.7
161.09491	0.3
162.12776	0.6
163.45418	0.3
165.06929	0.9
166.07701	0.5
167.08508	1.1
168.09341	0.4
169.10057	1.2
172.11162	0.9
175.07603	0.8
175.11142	0.4
176.10597	0.6
178.07646	0.4
179.08499	1.2
181.10060	1.4
183.11610	0.8
190.70056	0.4
191.08501	0.5
192.09212	0.4
193.10124	1.2
195.11737	0.6
201.12422	0.3
203.08588	0.5
205.10007	0.8
206.10947	0.6
207.11641	0.7
209.13368	0.5
217.10022	0.6
220.12433	0.4
221.13216	0.7
225.12708	0.6
226.15921	0.5
232.12468	0.5
235.14748	0.5
235.32416	0.3
236.14415	0.5
239.14281	0.4
249.16306	0.7
251.10915	0.4
262.15805	0.3
264.17435	0.7
277.18484	0.4
279.10153	0.6
287.05453	1.0
288.05847	2.1
292.20496	2.0
296.20004	1.3
303.04950	1.2
310.21527	0.9
317.10156	0.4
324.23145	1.4
342.24344	0.4
352.22656	15.5
353.22958	1.2
356.17731	0.5
356.22134	10.1
356.26379	0.6
384.25269	47.3
385.25568	2.7
402.26489	1.1
416.27936	17.1
417.28131	1.3
431.14856	0.8
444.27420	3.5
451.96338	0.4
458.31354	0.6
476.30011	100.0
477.30289	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	476.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	1.4
69.03409	0.8
69.23122	3.3
73.06541	1.6
77.17146	0.6
79.89574	0.7
81.08263	0.7
87.04462	5.3
88.34692	0.7
89.06024	100.0
91.07542	0.9
94.71375	0.7
105.07031	0.7
107.07051	2.1
127.26949	0.7
131.07040	2.3
133.08592	59.6
134.08867	1.1
150.10251	0.8
157.50542	0.8
175.09656	1.8
177.11206	22.1
177.12770	1.2
221.13844	3.2
249.88727	0.7
265.16525	0.8
275.44250	0.7
283.17572	1.2
310.21704	1.2
327.20096	1.3
371.22839	1.2
398.23532	1.5
415.25400	1.6
416.24594	1.0
427.56827	0.7
438.24417	0.7
459.28018	10.5
476.26520	6.3
494.09805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17334	1.3
53.03937	1.2
57.03416	1.8
57.90390	1.2
58.06595	1.3
58.49864	1.0
63.39283	1.1
65.03916	1.2
67.05498	1.3
69.03429	5.1
69.56151	2.4
69.56540	2.6
70.06581	1.9
71.30518	1.0
75.00995	0.9
76.01287	0.9
76.84733	0.9
79.05498	2.8
81.03411	2.5
81.07021	1.0
84.08153	1.1
85.02901	9.0
91.05482	2.0
92.04979	1.4
93.07022	4.2
94.06553	3.5
95.04930	1.3
95.07326	1.3
95.08594	1.1
96.08121	5.7
97.02878	4.1
98.22704	2.0
103.05443	1.1
105.03373	2.5
105.07014	1.7
108.08113	11.8
109.02861	1.4
110.09666	9.0
115.03935	1.2
116.04961	1.3
119.04917	1.2
120.04468	8.3
120.08086	9.4
121.06470	1.0
123.06814	1.1
126.09096	1.6
127.03926	2.5
131.41280	1.0
134.05978	3.0
136.07555	25.0
138.05455	1.6
138.09149	10.2
144.04466	1.1
145.04926	1.6
148.07552	5.7
154.08611	25.9
162.05479	100.0
163.05815	2.6
166.08611	30.7
167.07088	1.5
167.08940	1.2
227.11719	4.4
255.11157	3.8
269.12872	4.2
273.12305	2.8
287.13922	3.3
297.12274	13.7
303.04971	3.6
315.13345	57.4
316.13770	2.2
399.23154	1.4
417.24359	1.3
476.26096	1.7
477.18994	6.3
477.26587	5.7
478.27988	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39882	7.9
55.05503	21.1
57.03424	16.3
57.07074	78.8
66.57903	9.2
67.05492	13.8
69.03407	24.5
69.07018	10.4
70.36687	10.3
73.02908	15.7
79.05483	20.5
81.03404	31.6
81.07040	81.0
83.04962	25.5
83.08604	8.1
85.02892	59.9
85.06535	33.6
91.05478	17.2
93.07034	15.8
95.04948	13.5
95.08589	11.7
97.02879	27.4
99.04439	37.2
99.08080	53.2
103.03923	47.8
105.06983	15.7
107.08593	20.3
109.02871	21.5
109.06529	15.6
109.10153	18.6
121.06501	12.6
127.03883	68.7
131.08487	10.8
135.08028	22.4
137.09622	8.4
145.04939	38.3
147.08005	9.1
152.51506	9.8
153.12723	50.0
155.14276	100.0
171.13712	11.8
177.09160	10.9
177.12761	18.5
193.12184	12.1
195.13766	31.4
235.13264	19.2
237.14876	12.9
256.26935	8.2
287.07761	9.0
334.58115	9.4
400.24774	12.5
476.32599	13.1
477.22812	14.3
477.32782	21.2
478.27866	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	1.5
56.16204	0.5
57.79942	0.5
64.89332	0.5
67.05477	1.6
69.07057	0.8
70.39831	0.5
74.61613	0.5
79.05466	0.9
81.03383	0.8
81.07038	2.5
82.23944	0.5
83.08600	0.6
91.05453	1.3
93.06993	1.4
95.08590	0.9
97.10164	1.1
105.06989	0.7
107.04929	0.8
107.08576	1.3
109.10136	0.7
121.10156	0.6
125.09569	1.0
131.08521	0.8
139.44603	0.5
145.10097	0.5
185.04195	4.3
189.11389	0.5
189.56116	0.5
315.19263	92.0
316.19531	4.4
333.19186	0.9
367.22720	1.1
385.23743	1.5
445.27997	0.5
459.27594	0.8
477.24496	100.0
477.29721	4.0
478.24750	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.6
55.05256	4.6
55.05506	80.2
55.64135	3.0
57.03411	15.1
58.06599	3.6
60.64022	2.9
65.03938	6.2
67.05159	4.9
67.05496	80.4
69.03402	11.2
69.07053	25.1
70.43150	6.0
71.04983	7.8
79.05486	78.7
79.99595	3.1
81.03405	100.0
81.07051	71.7
82.07436	3.1
83.04961	16.7
83.08611	47.7
83.56728	3.2
85.02885	10.7
85.06531	5.0
86.63826	3.1
91.05471	71.0
93.07036	54.0
95.04952	57.8
95.08611	40.1
97.02871	3.6
97.06517	9.7
97.10150	48.4
103.05464	4.7
105.03350	3.9
105.04517	4.2
105.07018	47.6
107.04946	37.6
107.08578	35.9
109.06493	18.0
109.10149	23.0
111.04450	4.9
111.08069	15.8
115.05411	5.6
117.07018	21.3
119.04874	3.8
119.08567	38.0
121.06493	41.2
121.10127	14.6
123.04430	6.2
123.08042	9.5
123.11633	3.1
125.09612	47.8
128.06227	6.2
129.06982	29.5
131.04892	12.9
131.08557	35.2
133.06448	19.0
133.10156	18.9
135.08057	16.3
135.11697	8.7
137.09593	9.1
141.06963	10.0
142.07736	5.3
142.39449	3.2
142.58209	3.6
143.08549	7.9
145.06497	27.0
145.10100	12.8
145.21686	3.2
147.04343	4.4
147.08022	13.3
147.11696	20.7
149.05949	4.8
149.09599	13.7
151.07501	5.4
153.09097	10.8
155.08568	9.2
157.06482	7.1
157.10097	22.5
159.07994	11.1
159.11635	7.7
161.09586	7.2
161.13249	4.2
163.11188	4.4
165.06976	3.6
169.10120	11.8
171.08032	6.7
171.11670	10.0
173.09615	7.4
173.11694	3.9
173.13258	3.8
175.07484	3.8
175.11159	19.7
175.14854	2.9
178.36652	3.3
181.10086	6.9
183.11728	6.6
185.09573	4.9
185.13225	7.2
187.11160	4.7
189.11201	29.6
189.12672	5.7
193.12210	67.2
195.11613	6.0
197.09613	5.5
197.13269	5.3
199.11180	7.4
205.12256	5.8
209.09612	4.4
211.11522	4.5
211.13185	22.3
213.12732	6.3
215.14238	8.6
217.12129	5.4
217.15973	3.7
223.13268	3.7
227.12637	21.5
231.13736	6.4
233.15309	25.2
241.14279	7.4
245.15477	4.4
249.14810	9.4
255.13754	4.7
267.15869	31.9
273.14853	14.8
339.23138	14.7
341.21036	7.0
349.21536	23.5
357.24240	17.8
367.22623	55.0
375.25742	4.2
385.23648	97.6
386.23962	7.1
403.24707	35.5
415.24384	4.5
433.25650	11.5
441.26135	7.2
459.27380	88.9
459.33829	4.6
460.26999	5.9
477.21506	4.0
477.28497	74.3
477.35400	4.3
478.28159	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	478.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23540	0.8
53.03936	10.2
55.01865	12.2
55.05488	1.4
57.03427	8.4
60.04510	2.0
61.02917	7.5
67.05494	1.9
68.27685	0.8
68.99780	4.6
69.03419	34.9
69.07047	0.9
69.87886	0.8
69.88208	2.0
71.04987	5.8
73.02904	10.1
79.05458	1.3
81.03407	40.2
81.07044	1.7
83.01318	1.6
83.04955	1.1
85.02893	100.0
86.03208	1.7
87.00816	40.1
87.04460	1.4
91.03932	4.3
91.05470	1.4
93.07029	1.8
95.04924	1.0
96.04488	0.8
96.19400	0.7
97.02877	49.8
98.06035	2.0
99.04442	17.5
105.01855	39.1
105.07015	0.9
107.48214	0.8
108.04467	16.0
109.02860	37.3
115.03920	1.4
117.01830	5.7
125.01522	3.3
126.05512	6.5
127.03897	81.2
128.04240	1.4
129.01778	4.8
144.06540	2.0
145.04938	46.7
146.15274	0.9
147.02838	5.0
159.02861	28.7
163.36388	0.7
167.06221	1.2
177.03897	2.0
189.04045	1.2
201.07555	0.8
212.05562	1.3
213.03947	4.3
230.06587	4.8
231.04968	18.7
248.07571	6.9
249.06151	2.3
266.08508	1.6
366.50677	0.9
478.28577	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01853	1.7
55.50836	0.8
57.03429	4.8
58.06581	1.7
58.23291	0.8
59.04968	0.9
60.04536	0.9
61.02921	8.5
63.47103	0.7
69.03417	18.1
69.12052	3.3
69.12458	2.0
70.06572	2.7
70.59504	0.8
71.04971	2.6
73.02899	3.2
81.03406	7.8
84.08135	1.3
85.02893	100.0
86.03181	1.1
86.09675	0.9
87.04449	3.4
91.03933	5.5
91.05470	13.6
95.04946	0.9
95.08587	0.8
97.02881	31.7
98.06069	0.8
98.23433	1.5
99.04428	4.9
103.03911	1.3
109.02865	9.4
115.03883	1.6
119.04898	1.2
119.08608	0.9
120.08057	0.8
121.02816	1.0
121.06450	0.7
126.05540	1.3
127.03898	31.7
131.08546	3.7
136.07588	1.0
137.05946	13.1
144.06526	3.9
145.04939	48.7
146.05235	1.4
149.09576	1.5
151.03859	0.8
151.07475	0.9
153.01831	2.5
162.07594	2.3
163.03926	1.5
163.05998	20.0
163.07294	0.8
178.08687	0.8
180.06500	1.1
180.08623	2.2
227.57750	0.8
263.13400	0.8
274.04639	1.4
280.20435	1.8
280.65753	1.0
281.10172	1.9
282.22153	4.7
285.03879	1.9
298.21555	1.2
302.04199	3.8
317.06506	28.8
325.11438	1.2
460.27325	6.0
478.28302	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	478.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60103	0.6
53.03911	1.0
55.01864	0.7
55.39513	0.5
57.03416	1.2
58.06572	1.3
59.04985	0.4
60.67363	0.5
61.02890	1.9
69.03422	6.9
69.66637	1.8
73.02886	1.8
81.03418	2.3
83.03726	0.5
85.02394	0.6
85.02885	6.8
87.04449	1.1
91.05477	2.3
95.04947	0.5
97.02872	3.7
98.22658	0.6
99.04417	0.6
105.10931	0.4
107.04925	0.8
107.37615	0.5
109.02855	1.0
115.05437	6.9
119.04893	2.0
121.06489	1.3
122.03620	0.9
123.04409	21.9
125.27200	0.6
125.77776	0.5
127.03892	1.6
131.04913	1.4
133.06451	0.8
135.04362	0.6
137.05952	26.3
143.04897	22.7
147.04362	0.7
149.05939	1.6
151.07486	4.6
160.05208	1.2
160.07487	0.5
161.05956	16.5
163.06270	0.7
163.07516	1.5
167.08510	1.0
173.31985	0.5
175.07520	9.4
177.07831	6.1
178.08601	64.4
179.08798	3.0
181.06445	0.5
192.10156	37.9
193.10541	1.5
195.08054	2.0
207.07991	2.3
210.06871	0.6
213.09073	2.5
223.07538	1.2
225.09143	2.1
227.10599	0.6
235.07552	0.9
241.08565	1.8
253.08536	2.9
273.11209	1.5
285.11148	9.5
287.12878	0.5
300.08463	1.0
301.09460	0.9
316.11948	1.9
316.15363	33.2
317.15787	1.2
340.13818	16.2
341.14148	0.7
353.92889	0.5
478.20670	100.0
479.21112	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	478.2795
Annotation	Anthriscifolcine A
Peak:m/z	Relative Intensity
51.29414	0.3
53.03950	0.3
56.05027	2.0
58.06596	4.5
60.04512	0.3
67.05497	0.6
67.77206	0.3
69.16151	1.6
70.06580	0.3
71.04967	0.8
71.82536	0.2
72.08109	0.7
79.05473	0.9
81.07043	0.4
84.08133	12.0
85.02892	0.7
86.06070	0.4
88.07613	0.9
91.05462	2.6
93.07037	0.6
94.06570	0.4
95.03976	0.3
95.04967	0.5
96.08141	0.9
98.09714	0.3
105.06994	1.3
106.06635	0.3
107.04955	0.8
107.08600	0.3
108.08116	1.0
109.06528	0.4
110.09660	0.4
112.07592	1.6
114.09145	0.3
115.05428	0.4
117.07006	1.3
119.04936	0.3
119.08586	0.7
121.06496	0.6
122.09651	0.9
122.12932	0.3
123.27734	0.3
128.06221	0.8
129.06999	2.3
131.08548	1.5
134.09637	0.4
135.08067	0.6
137.05960	0.7
138.09143	0.8
140.10680	0.3
141.06970	1.2
142.07716	0.4
143.08543	0.9
145.06497	0.6
145.10069	0.5
146.09631	0.5
147.07994	0.5
151.07578	0.5
153.06992	0.6
155.08513	1.3
157.06543	0.4
157.10143	0.7
158.09683	0.4
159.08052	0.5
160.11211	0.4
161.09598	1.1
165.06956	0.7
166.07774	0.4
167.08574	1.2
169.10123	0.8
172.11230	0.6
173.11905	0.3
174.12793	0.9
178.07794	0.5
179.08521	1.1
181.10107	1.0
183.11732	0.4
184.11235	0.4
185.09579	0.5
187.11151	0.5
191.08534	0.4
192.09424	0.4
193.10115	1.1
195.07938	0.3
195.11693	0.7
197.09544	0.5
199.11183	0.5
200.14339	1.1
201.15132	0.4
203.08530	0.5
204.09270	0.3
205.10124	0.8
207.11720	1.0
209.09624	0.5
209.13307	0.8
210.67674	0.4
211.11203	0.7
219.11592	0.5
221.13252	0.7
222.12720	0.3
223.11156	0.5
235.11244	0.4
237.12775	1.2
239.10568	0.3
248.12096	0.3
251.14360	0.6
255.13725	0.3
263.14313	0.4
276.17358	0.3
281.15338	0.6
294.18478	0.4
308.19943	0.6
312.19495	0.6
326.21014	0.5
336.19409	0.4
354.20554	0.7
368.22189	2.5
372.21573	1.1
381.13470	0.3
386.23367	1.2
396.21722	0.4
400.24756	6.0
401.25171	0.4
414.22574	2.4
418.25952	3.6
428.24692	0.4
446.25314	14.5
447.25574	0.8
460.26871	0.7
478.27948	100.0
479.28284	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	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.68803	0.4
53.03938	0.5
55.01860	0.7
55.05503	14.2
57.03174	0.7
57.03429	7.6
57.07056	1.9
57.95561	0.5
62.06063	0.5
65.03903	0.7
67.05494	26.9
68.05817	0.4
69.07056	14.4
71.04973	0.6
71.08616	1.1
71.19643	0.7
79.05483	7.7
81.07042	25.5
83.04973	0.9
83.08604	8.2
91.05453	4.2
93.07030	7.3
95.04944	0.9
95.08591	19.1
96.09013	0.5
97.06493	2.2
97.10131	3.0
98.98466	0.6
99.08068	0.5
104.39484	0.4
105.06998	4.0
107.08569	3.6
107.39905	0.4
109.10135	6.9
110.93354	0.4
111.11732	0.5
119.08567	2.5
121.10127	3.1
123.11671	2.9
133.10094	3.0
135.11673	1.3
137.13239	0.9
147.11668	1.2
149.13132	1.0
161.13234	1.2
163.14816	0.7
205.13866	0.5
245.22574	0.5
263.23761	0.9
306.27795	2.3
337.27298	100.0
338.27621	4.6
478.28256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2923
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.45199	1.1
53.03929	1.6
55.01859	1.4
55.05505	10.9
57.03426	4.5
57.07082	1.7
62.06079	31.1
62.12298	1.2
65.03944	1.3
67.05495	33.8
69.07057	16.0
73.20017	1.1
79.05488	10.5
81.07045	34.0
83.08611	6.6
91.05473	6.7
93.07031	9.0
95.04961	2.3
95.08591	25.0
97.06483	2.4
97.10168	2.4
98.06042	3.1
98.98436	8.4
105.07019	4.4
107.08607	6.3
109.10147	9.4
111.08057	1.3
119.08586	3.6
121.10123	4.4
123.11672	4.6
124.01594	1.4
133.10117	2.9
135.11707	3.3
136.54495	1.2
137.13261	2.3
147.11629	3.0
149.13367	1.5
155.01016	5.7
198.05232	1.7
216.06290	4.1
245.22655	2.4
263.23648	6.1
306.27884	25.6
307.28207	2.2
337.27307	100.0
338.27563	4.5
424.69901	1.4
460.27966	3.1
478.28549	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2928
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
52.23556	0.8
55.05508	5.8
57.07069	2.1
58.06584	1.4
62.06100	1.7
67.05493	6.0
69.07061	5.3
70.06604	1.1
79.05499	2.8
81.07058	6.4
83.08630	2.2
85.05262	2.1
85.18814	1.0
87.36192	1.0
91.05496	1.3
93.07046	1.7
95.08608	4.6
98.06041	11.2
98.98478	1.9
105.07007	1.5
112.07626	2.0
119.07307	1.0
121.10150	1.4
123.11745	0.9
135.11676	1.0
135.61180	0.9
137.36554	0.9
149.02333	2.9
152.58127	0.8
184.36418	0.9
193.04955	2.3
243.07425	0.9
243.56682	0.9
246.47256	1.0
256.26303	2.4
277.23779	1.0
306.27878	100.0
307.28256	3.6
312.32614	1.3
337.27261	1.0
434.25897	1.6
459.60339	0.9
478.31851	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	479.1182
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03934	0.8
53.67102	0.4
55.01868	1.0
57.03425	0.7
57.25754	0.5
58.06583	1.7
61.02909	1.5
69.03416	2.9
70.64248	0.5
71.86281	0.4
73.02925	0.8
73.35492	0.4
81.03401	1.7
85.02895	9.4
87.04453	0.6
92.02627	1.5
93.03384	1.3
95.05003	0.6
96.49307	0.5
97.02869	3.2
99.04424	0.6
105.03397	0.6
109.02851	1.1
121.02843	0.7
122.96456	0.5
126.03137	0.5
127.03888	2.3
137.02371	0.5
139.03911	0.8
145.04941	1.7
149.05997	0.7
151.03836	0.8
153.01808	7.5
155.08434	0.5
165.01793	0.6
200.04749	0.5
201.05449	1.0
217.04919	1.2
218.05730	0.6
228.04190	1.4
229.04927	3.8
231.02972	0.5
245.04359	1.2
246.05167	1.9
257.04523	2.4
260.02963	0.4
273.03818	2.2
274.04648	4.3
285.03830	4.9
302.04144	13.4
317.06503	100.0
318.06870	4.8
377.47617	0.4
446.25699	0.8
447.25546	0.5
466.88245	0.5
478.27716	3.1
479.21667	0.7
479.27878	3.3
480.29819	2.6
491.25272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	2.5
55.27364	1.2
57.03428	5.4
61.02918	10.1
69.03421	19.4
70.56255	1.7
71.04984	2.1
73.02903	3.6
76.18415	1.3
81.03410	7.9
85.02892	100.0
87.04462	2.5
91.03956	4.7
91.05481	4.0
93.07027	2.9
97.02877	26.5
99.04459	4.2
103.05460	2.2
109.02886	9.2
115.03959	1.7
121.06497	66.0
122.06825	1.6
127.03904	25.3
129.06947	1.3
137.06009	1.4
141.07030	2.0
141.82983	1.4
145.04944	44.4
145.06458	4.2
151.07510	1.3
157.06442	1.8
159.08022	5.3
163.06006	15.7
163.07312	2.0
169.04803	1.2
169.06441	1.4
171.07953	1.2
175.07544	2.8
179.07048	2.7
185.05917	1.9
187.07513	21.4
201.09187	1.9
205.08574	19.0
205.88440	1.4
211.07567	1.9
217.08546	2.1
229.08603	7.7
235.09627	1.7
247.09599	9.0
265.10690	7.5
308.55966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10984	0.6
53.03930	1.5
55.01865	3.1
57.03431	5.1
58.06593	1.2
61.02919	9.3
66.52235	0.6
68.05031	0.8
69.03421	14.3
69.90013	1.5
70.06618	0.8
71.01353	0.9
71.04966	2.4
72.08169	0.7
73.02908	3.1
75.38583	0.6
81.03404	7.7
85.02893	100.0
86.03210	1.1
87.04443	2.1
91.03954	3.8
91.05463	3.3
93.07050	2.0
95.04960	1.0
97.02881	26.9
99.04443	4.0
103.03886	1.1
103.05466	2.6
104.33905	0.7
105.06973	1.0
109.02869	8.4
109.89035	0.6
115.03931	1.5
119.04887	1.5
121.06487	53.4
122.06829	0.9
123.04424	1.3
127.03896	22.1
129.06976	1.1
131.08551	1.5
135.04443	0.8
137.05971	6.4
140.03404	1.2
141.07001	0.8
145.04941	38.6
145.06293	1.5
145.06551	1.7
151.07516	1.2
155.08553	1.0
157.06465	1.9
159.08038	4.2
163.05992	14.4
169.06464	1.3
170.02798	0.6
171.08073	0.9
175.07533	1.9
178.08727	0.8
179.07040	2.7
180.06306	0.9
183.08035	0.9
185.05904	1.1
187.07515	18.2
201.09039	1.3
205.08575	15.3
205.10417	1.1
217.08549	2.0
229.08585	4.8
235.09554	2.0
247.09602	7.6
265.10669	5.9
269.07983	0.9
271.08258	0.7
300.12503	1.4
318.13333	2.5
319.15176	1.5
324.10358	1.6
325.11298	1.0
402.22583	1.0
420.23398	1.3
480.11978	4.1
480.19180	2.3
480.25922	5.8
481.19791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	25.1
58.06582	4.9
59.04994	6.6
60.35596	2.7
65.14783	2.8
67.05500	7.2
69.03062	5.6
69.03424	95.9
69.07062	47.5
69.34094	13.8
71.04951	4.4
81.07059	20.5
85.02905	66.5
87.04457	63.8
87.04939	6.4
93.07003	6.2
95.08582	9.1
97.02882	86.7
97.03480	5.7
98.23538	3.9
101.23920	3.1
105.03349	3.6
105.07015	5.1
109.10146	8.3
115.03915	94.6
121.10107	3.2
121.52838	3.2
123.11707	50.4
127.03889	8.9
133.04953	100.0
145.04968	9.0
150.07599	4.3
151.11177	51.7
154.05240	3.3
163.14862	3.2
219.13808	4.1
241.06966	3.8
247.13330	6.6
254.39761	4.4
259.08038	4.2
265.14163	4.4
283.15393	8.0
319.87469	3.5
354.46835	3.4
372.34726	3.7
480.29825	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01865	2.2
55.05499	4.7
57.03427	14.6
57.07076	2.5
58.06582	2.4
61.02907	3.0
67.05163	2.1
67.05492	9.4
69.03416	11.8
69.07059	14.7
69.37679	1.9
71.01333	1.7
71.04986	40.4
73.02908	14.8
75.04463	4.9
77.02890	1.7
79.05487	13.3
81.03407	4.5
81.07043	100.0
83.04970	4.9
85.02895	81.5
85.03408	4.3
87.04441	3.8
91.05473	4.9
93.07051	3.2
95.04962	6.1
95.08592	24.1
96.74678	2.2
97.02868	18.7
97.06510	2.5
99.04417	2.4
105.03385	8.9
105.07008	2.6
107.08595	2.3
109.09492	1.8
109.10133	9.0
111.04435	4.9
115.03924	11.2
117.07059	1.9
119.08517	2.3
120.62775	2.1
122.09697	2.2
123.11694	17.7
127.03907	7.7
129.05466	28.2
133.04973	5.4
133.10066	3.0
135.04367	8.8
136.03917	3.9
137.05986	2.6
137.13211	23.8
145.04916	6.8
147.06509	17.2
147.07686	2.8
147.52654	2.1
151.03889	6.5
151.11171	7.9
152.03412	3.4
155.08557	2.4
162.93153	1.8
164.09157	7.3
167.08504	1.7
167.10623	1.9
180.61211	1.9
182.23552	1.9
183.11583	2.2
241.06883	2.6
283.14984	2.9
336.64429	1.9
358.20157	2.5
462.28537	4.2
462.36588	1.9
480.23575	11.1
480.29385	22.2
481.30142	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2952
Annotation	Talitine B
Peak:m/z	Relative Intensity
53.27452	0.4
55.61801	0.4
56.05021	1.7
58.06591	20.0
63.97120	0.4
67.05504	1.1
69.25623	0.7
69.26020	2.1
70.06578	3.7
71.04984	1.5
72.08144	11.1
73.55432	0.4
79.05496	1.2
82.06575	0.7
84.08138	3.7
85.02888	1.3
86.24718	0.4
87.98042	0.4
88.07621	0.6
91.05476	3.0
93.07036	0.9
95.04952	0.9
96.08126	1.6
98.09679	10.4
102.09148	2.1
103.05491	0.7
105.07014	1.5
107.04953	1.1
108.08093	1.0
109.06522	0.5
110.09686	0.4
112.07590	3.2
115.05482	0.5
117.07013	1.5
119.04919	0.5
119.08601	0.7
121.06526	0.8
122.09666	1.2
123.08048	0.4
125.88237	0.4
128.06204	0.7
129.06970	2.6
131.08563	1.8
133.06514	0.8
134.65880	0.4
135.08051	0.6
136.11256	0.5
137.05986	1.7
140.07097	1.6
141.07013	1.4
143.08551	1.3
145.06427	0.7
145.10136	0.6
147.08037	1.0
147.99295	0.4
151.07510	2.3
152.10732	1.1
153.07027	0.8
154.12259	0.8
155.08556	1.6
157.06480	0.6
157.10143	1.0
159.08043	0.9
165.06944	0.9
167.08594	1.4
169.10118	1.3
171.08041	0.8
173.09529	0.6
178.07797	0.4
179.08557	1.1
180.06497	0.6
181.10120	0.8
183.11787	0.5
185.09583	0.9
191.08658	0.4
193.10190	0.7
195.07976	0.5
195.11685	1.0
197.09479	0.7
204.09422	0.6
205.10155	1.2
207.11620	1.1
209.09625	0.7
211.11198	0.6
216.09465	0.9
217.10043	0.5
219.11618	0.6
221.13222	0.7
223.11215	1.2
225.12746	0.8
231.11652	0.9
239.10600	0.5
239.14374	0.6
249.12747	1.3
267.13821	0.5
281.15250	0.4
298.18054	0.5
306.18549	0.6
318.06775	0.8
338.21069	0.9
356.22183	1.7
384.21997	0.8
388.24896	0.6
398.23221	3.1
416.24246	16.3
416.96970	0.4
417.24792	1.5
430.25873	4.4
448.26877	27.8
449.27011	2.1
462.24551	0.8
480.29575	100.0
481.29959	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	480.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.6
58.06301	0.5
58.06593	9.1
67.05526	0.5
69.11888	2.7
69.12273	0.6
70.06588	1.0
71.04973	1.4
72.08135	1.6
79.05482	1.8
81.07039	0.6
84.08128	1.8
85.02895	0.7
88.07588	0.6
90.53851	0.5
91.05480	2.7
93.07033	0.9
94.06532	0.7
95.04961	1.1
96.46987	0.4
98.09682	3.0
98.22702	0.9
102.09161	0.7
103.05492	0.6
105.07038	1.3
106.94001	0.5
107.04976	0.5
108.08105	2.0
109.06497	0.9
111.85569	0.5
115.05492	0.5
117.07026	1.2
119.08554	0.4
121.06444	1.0
122.09660	4.2
124.07524	0.6
129.06989	2.6
131.08572	1.5
135.08011	0.5
137.05969	0.8
141.07021	1.5
143.08554	1.4
147.08054	0.5
152.10701	1.1
154.12225	3.5
155.08521	1.3
157.10146	1.3
159.08131	0.7
165.06978	1.0
166.07787	0.5
167.08571	1.5
169.10123	0.7
171.07968	0.6
179.08475	1.1
181.10083	0.8
185.09602	0.5
191.08501	0.9
193.10089	1.0
195.11557	0.6
197.09599	0.5
203.08498	1.0
205.10118	1.1
206.04517	0.8
207.11636	0.9
211.11131	0.5
212.14288	0.6
213.12965	0.5
213.15147	0.6
216.09450	0.8
217.10132	0.7
219.11873	0.5
221.13139	0.5
231.11690	1.5
233.13335	0.8
260.02255	0.5
263.14185	0.6
277.19202	0.5
278.18491	0.5
281.20035	0.4
324.19397	0.7
342.20673	0.6
356.22147	1.8
370.23749	1.1
374.23203	1.8
386.23010	0.6
388.24768	5.0
392.24115	1.3
398.23340	0.9
406.66248	0.4
416.23444	0.6
420.27261	5.8
430.25775	9.4
430.31372	0.8
431.26355	0.5
439.76172	0.5
448.26874	7.3
462.28729	1.1
480.29501	100.0
481.29776	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	480.295
Annotation	Delcorine
Peak:m/z	Relative Intensity
51.06655	0.2
55.01875	0.3
55.68167	0.2
56.05024	2.3
58.06594	6.9
59.04987	0.4
61.02895	0.2
67.05503	0.7
69.16618	0.2
69.37429	0.9
70.06576	0.4
71.04983	1.0
72.08143	3.8
75.04462	0.5
79.05489	1.2
80.05014	0.5
81.07042	0.3
84.08129	1.4
85.02904	0.9
91.05465	1.9
93.07043	0.5
94.06565	0.4
95.04948	0.5
96.08105	0.6
98.09689	0.6
102.09161	2.9
103.03949	0.3
103.05479	0.5
105.07019	1.4
107.04939	0.9
108.08105	5.4
108.14290	0.2
109.06506	0.5
110.09698	0.3
114.09156	0.6
115.05418	0.5
116.56841	0.2
117.07018	1.4
119.04992	0.3
121.06502	0.4
121.08906	0.5
122.09644	2.6
123.08062	0.3
124.11206	2.1
125.05970	0.3
128.06198	0.3
128.10709	0.6
129.06989	2.2
131.08553	1.4
133.06523	0.3
134.09644	0.5
135.08044	1.0
137.05951	1.5
141.06979	1.4
143.08562	1.3
145.06442	0.2
147.08073	0.6
152.10701	1.2
153.06990	0.6
154.07820	0.3
154.12244	6.0
155.08571	2.0
157.10127	0.7
159.08055	0.5
161.09596	0.6
165.07025	0.7
166.07744	0.3
167.08516	1.4
168.09338	0.4
169.10103	1.0
171.08083	0.4
171.11760	0.4
172.11218	0.4
173.09691	0.5
174.12773	0.5
174.17299	0.2
178.07750	0.2
179.08530	1.4
180.09319	0.4
181.10109	1.3
183.08023	0.3
183.11674	0.6
185.09634	0.3
185.11900	0.3
186.12811	0.6
186.78096	0.2
187.13435	0.4
188.14365	0.3
191.08522	0.6
192.09387	0.6
193.10161	1.3
195.11649	1.2
197.09601	0.4
198.12692	0.3
200.14334	0.9
202.07826	0.3
203.08549	0.5
204.09355	0.5
205.10143	1.0
207.11636	1.2
209.13246	0.6
211.11235	0.3
212.14348	0.4
213.12807	0.4
213.15099	0.4
216.09270	0.4
216.13866	0.3
217.10068	0.5
218.10854	0.3
219.11707	0.7
221.09715	0.3
221.13239	1.0
223.11107	0.7
225.12753	0.4
229.10112	0.3
230.10789	0.3
231.11678	0.5
233.13242	0.5
235.11171	0.5
241.12369	0.3
249.12741	0.8
251.14265	0.3
253.12447	0.3
255.13878	0.4
263.14359	0.3
265.15771	0.2
267.13812	0.3
268.17139	0.2
278.15323	0.3
287.12997	0.3
288.17776	0.4
306.18762	0.5
320.19952	0.4
324.19531	0.4
326.20972	0.3
338.21014	0.8
346.48422	0.3
352.22781	0.5
356.22308	0.3
366.20474	0.4
370.19714	0.5
370.24036	0.8
370.57031	0.2
380.21933	0.3
384.21674	0.6
398.23233	3.0
399.23566	0.3
402.22348	0.4
402.26794	0.4
404.24338	1.3
408.77908	0.3
412.24731	1.1
430.25854	7.3
431.26105	0.8
444.27493	0.5
462.28448	14.2
463.28891	1.1
480.29501	100.0
481.29807	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	480.2951
Annotation	Talitine B
Peak:m/z	Relative Intensity
50.66315	0.3
51.94355	0.3
55.65544	0.3
56.05015	0.6
58.06593	6.7
67.05489	0.9
71.04971	1.4
72.08144	3.5
74.63173	0.3
79.05469	1.8
80.04984	0.4
80.41539	0.4
81.03387	0.8
81.07011	0.4
84.08121	0.8
85.06527	0.4
91.05476	3.7
93.07026	1.4
95.04945	0.9
98.09694	1.1
105.07021	2.8
107.04918	2.1
108.08105	3.3
109.06500	0.7
112.07616	0.4
115.05463	0.5
117.06973	2.6
119.08548	0.8
121.06493	1.0
122.09646	0.8
124.11224	0.7
128.06169	0.6
129.06970	2.2
131.04897	0.4
131.08548	2.4
135.08051	0.8
136.11171	0.5
137.05971	0.4
141.06984	1.0
143.08545	1.3
145.06465	0.8
145.10095	0.8
147.08020	0.7
152.10701	0.4
153.06982	1.0
154.07780	0.4
154.12231	0.9
155.08510	1.5
157.10139	0.6
159.08102	0.5
160.11182	0.5
165.06946	0.5
166.07767	0.7
167.08533	1.2
169.10094	1.1
171.07999	0.6
172.11269	0.5
178.07756	0.5
179.08510	1.7
180.09399	0.5
181.10101	1.3
183.11658	0.5
191.08574	1.2
192.09236	0.7
193.10136	1.4
195.11713	1.2
197.09604	0.4
203.08583	0.7
205.10159	1.4
207.11725	0.8
209.09753	0.4
211.11150	0.4
218.15280	0.4
219.11707	0.7
221.09612	0.5
221.13219	1.3
223.11270	0.5
233.13258	0.7
234.30441	0.4
237.12778	0.5
243.11693	0.4
249.12737	0.5
251.14343	0.5
267.13696	0.4
300.19431	0.4
306.18625	0.5
324.19513	1.4
328.19046	3.1
328.22510	0.7
329.19687	0.4
338.21091	0.7
356.22144	6.4
357.22760	0.6
360.21436	0.8
370.23651	3.0
370.27557	0.4
388.24759	27.1
389.25189	2.1
402.26440	1.2
420.27353	36.5
421.27576	2.6
448.26968	3.5
462.06061	0.4
480.29495	100.0
481.23276	0.7
481.29861	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	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35554	1.5
55.05512	14.3
57.03422	5.7
57.07070	4.9
60.42936	1.5
62.06087	31.0
66.60380	1.8
67.05500	13.9
69.07065	20.7
69.20397	5.5
69.20800	4.2
71.08618	2.2
79.05480	5.8
81.07052	13.9
83.08614	11.6
91.05433	2.2
93.07035	6.5
95.08584	12.9
97.06554	2.2
97.10175	8.2
98.06051	1.6
98.98457	8.0
107.08578	4.1
109.10164	8.3
111.11713	2.4
121.10148	7.0
123.11674	1.8
131.24866	1.5
135.11690	2.7
150.40453	2.1
155.01004	8.0
216.06281	4.0
242.21667	1.8
265.25269	4.9
293.42508	1.7
308.29428	21.1
339.28900	100.0
340.28912	2.1
352.94913	1.9
396.78259	1.7
460.65277	1.9
462.29233	2.4
480.29382	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	480.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04451	0.6
55.05252	1.0
55.05505	14.4
55.92556	0.8
57.03434	7.4
57.06861	0.5
57.07067	7.0
58.06582	0.9
59.74635	0.7
67.05498	11.4
68.07201	0.6
69.07059	20.2
69.87353	1.9
71.04969	1.0
71.08616	3.7
72.45511	0.7
79.05489	4.5
81.06615	1.0
81.07047	11.7
83.05010	1.1
83.08607	14.2
85.06506	1.6
85.10158	1.7
85.91424	0.7
86.09679	0.8
91.05481	0.8
93.07024	7.8
95.04948	1.1
95.08584	13.1
97.06476	1.9
97.10157	7.4
107.08584	5.0
107.72104	0.7
109.10143	5.5
111.08086	1.2
111.11707	1.7
119.08523	0.7
121.10138	7.4
123.11683	0.9
125.09621	0.7
132.75298	0.6
135.11667	5.2
137.28545	0.6
149.13226	2.0
163.14806	0.9
216.06317	0.8
247.24339	0.9
265.25174	1.2
306.09131	0.7
308.29370	2.9
339.28888	100.0
340.29276	5.8
480.29413	2.8
481.10583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
55.92249	0.7
57.03419	1.2
58.06593	2.7
60.08154	15.9
66.94474	0.7
67.05502	1.5
69.07048	1.3
69.10313	1.9
69.10719	2.8
71.07372	5.6
72.87228	0.7
79.05474	2.9
81.07021	2.2
83.08592	1.4
86.09693	53.7
93.07029	1.4
97.06496	1.0
98.98442	2.9
104.10728	91.0
105.11065	0.9
112.51189	0.7
121.10113	1.3
124.99982	27.7
184.07317	100.0
185.07693	0.9
196.12106	0.8
205.59279	0.8
258.10999	1.2
262.50488	0.8
297.24072	0.9
440.85657	0.8
462.29636	7.6
463.30225	0.9
463.94327	0.8
480.25739	9.8
480.30716	16.5
481.22882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14225	0.6
51.07640	0.7
53.03931	2.5
55.01855	2.0
57.03426	5.2
58.06581	2.8
60.57535	0.7
61.02911	8.7
67.05486	1.4
69.03416	15.6
69.09938	4.3
71.04980	2.1
73.02901	3.3
75.11414	0.7
79.05493	1.2
81.03403	7.0
81.07047	1.2
84.08142	1.3
85.02889	100.0
86.03231	1.1
86.09707	0.8
86.87150	0.8
87.04461	2.1
91.03925	4.6
95.04938	1.5
97.02880	26.5
99.04444	4.6
103.03918	1.0
108.08113	3.0
109.02854	9.6
122.06022	2.9
123.03143	12.8
125.05955	1.7
126.05541	1.1
127.03897	27.1
136.07539	3.5
137.02232	0.8
138.09088	1.0
140.03401	38.7
140.07036	17.3
140.10677	0.8
145.04930	48.7
146.05293	1.2
150.09172	1.8
152.07062	2.5
154.08714	1.1
163.05986	15.2
164.07082	4.6
178.08604	2.5
180.08627	1.7
182.08090	23.1
182.09636	1.3
206.08118	13.4
218.08118	1.1
236.09273	1.0
248.09187	2.5
259.11884	0.8
266.00302	0.8
266.10175	1.2
266.87003	0.9
277.13068	1.8
284.11356	2.4
302.12103	5.0
319.15100	1.4
464.26764	1.6
480.25879	1.1
481.20148	1.5
481.26123	5.7
482.27463	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	481.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14225	0.6
51.07640	0.7
53.03931	2.5
55.01855	2.0
57.03426	5.2
58.06581	2.8
60.57535	0.7
61.02911	8.7
67.05486	1.4
69.03416	15.6
69.09938	4.3
71.04980	2.1
73.02901	3.3
75.11414	0.7
79.05493	1.2
81.03403	7.0
81.07047	1.2
84.08142	1.3
85.02889	100.0
86.03231	1.1
86.09707	0.8
86.87150	0.8
87.04461	2.1
91.03925	4.6
95.04938	1.5
97.02880	26.5
99.04444	4.6
103.03918	1.0
108.08113	3.0
109.02854	9.6
122.06022	2.9
123.03143	12.8
125.05955	1.7
126.05541	1.1
127.03897	27.1
136.07539	3.5
137.02232	0.8
138.09088	1.0
140.03401	38.7
140.07036	17.3
140.10677	0.8
145.04930	48.7
146.05293	1.2
150.09172	1.8
152.07062	2.5
154.08714	1.1
163.05986	15.2
164.07082	4.6
178.08604	2.5
180.08627	1.7
182.08090	23.1
182.09636	1.3
206.08118	13.4
218.08118	1.1
236.09273	1.0
248.09187	2.5
259.11884	0.8
266.00302	0.8
266.10175	1.2
266.87003	0.9
277.13068	1.8
284.11356	2.4
302.12103	5.0
319.15100	1.4
464.26764	1.6
480.25879	1.1
481.20148	1.5
481.26123	5.7
482.27463	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	481.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01860	1.9
56.05022	1.0
57.03435	5.5
58.06588	2.4
61.02917	7.6
65.03030	0.8
67.05495	1.7
69.03419	15.2
69.07034	0.9
69.56060	3.7
70.06567	1.1
71.01338	1.2
71.04973	2.9
73.02901	3.9
79.05470	2.2
79.95039	0.8
81.03408	7.7
81.07037	3.2
84.08140	1.6
85.02892	100.0
86.09701	1.5
87.04429	1.6
88.86626	0.9
91.03943	5.0
91.05471	1.0
93.07029	1.3
95.04967	2.2
97.02875	29.0
99.04432	4.3
103.03925	1.8
108.08102	6.1
109.02851	11.4
115.03928	1.7
122.06004	3.3
122.09669	1.0
123.03152	5.9
125.05975	3.9
126.05520	2.1
126.09132	2.2
127.03898	26.6
136.07570	8.6
140.02466	0.7
140.03403	21.9
140.07040	37.9
140.10709	1.0
145.04933	43.3
150.09111	1.2
152.03433	1.3
152.07010	6.8
154.08633	2.8
160.39948	0.8
163.03928	1.2
163.05994	20.0
163.07301	1.7
164.07051	10.8
168.06601	1.6
178.08607	11.5
180.08655	0.9
182.08101	58.6
183.08408	1.1
206.08102	27.8
218.08099	3.4
231.07681	0.9
236.09140	2.8
248.09151	7.0
266.10223	3.2
277.12912	3.7
281.02170	0.9
284.11234	5.7
302.12329	10.3
319.14929	3.2
386.68375	1.0
446.07275	0.8
463.17630	0.9
464.26419	2.7
480.26077	1.2
481.19778	2.6
481.26324	6.6
482.27478	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01875	2.6
57.03423	4.4
58.06585	2.7
61.02925	8.9
65.03922	0.9
67.05502	2.4
69.03415	16.8
69.57378	2.6
71.04985	2.1
73.02898	2.9
79.05497	2.1
81.03423	7.1
81.07029	2.8
83.01318	1.2
84.08118	1.7
85.02891	100.0
86.03214	1.6
87.04480	1.2
91.03944	4.8
91.05435	1.3
93.06988	1.3
94.06509	1.1
95.04980	1.4
97.02879	33.2
99.04441	3.8
103.03918	3.0
108.08099	6.0
109.02860	10.9
109.06450	1.0
110.06061	1.4
122.06007	3.4
123.03161	7.1
125.05965	3.2
126.05499	3.3
126.09103	1.6
127.03896	25.3
136.07562	8.6
137.02298	1.4
140.03400	23.6
140.07033	45.6
140.10556	1.5
145.04936	44.4
150.09149	2.6
152.07054	7.4
154.08609	3.1
163.03894	1.3
163.05984	17.2
164.07021	10.7
165.46262	1.1
178.08595	10.4
182.08104	59.8
206.08080	28.5
218.08089	4.3
231.07599	1.3
236.09132	3.0
242.04430	1.4
248.09201	7.0
266.10214	2.0
277.12894	2.9
284.11240	6.2
291.22772	1.2
302.12268	7.0
319.15137	3.1
320.07794	1.2
459.35327	1.2
463.25095	1.3
464.26340	2.6
480.25516	1.6
481.20038	2.1
481.26291	4.9
482.27463	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52289	0.4
56.05030	3.4
57.63432	0.5
58.06547	1.9
60.05587	1.9
69.03409	0.9
69.04499	0.7
70.06551	1.1
72.08102	0.6
79.05431	0.8
83.06044	1.4
85.02834	1.9
95.06036	1.4
96.08092	0.8
97.02844	1.0
97.07558	0.6
106.06499	0.5
107.04894	1.6
108.03114	0.5
108.08033	1.4
111.05550	5.5
113.07110	2.9
120.04424	1.5
123.05438	0.7
126.06564	2.2
127.07327	1.0
129.06976	0.8
132.04449	9.3
132.08037	1.0
134.05986	3.4
137.04568	0.8
140.07047	1.2
140.08160	1.6
148.03915	0.6
150.05515	3.8
151.06139	4.3
155.81482	0.5
164.07031	0.9
165.06551	1.3
168.08868	0.6
171.91870	0.5
176.06999	0.9
182.08055	1.0
187.08661	3.3
194.07309	0.6
202.09782	3.2
203.08174	1.3
216.11208	1.2
219.07373	0.5
230.09204	2.7
231.07622	19.2
232.08008	0.7
232.10718	1.5
233.09148	1.1
233.13931	6.2
234.12288	1.3
242.09238	2.1
246.08521	0.8
257.10330	2.9
259.11877	23.6
260.10110	0.7
277.12924	82.2
278.13269	2.6
284.11337	4.4
301.14038	2.3
302.12439	45.9
303.12766	1.7
304.12982	0.5
319.15097	100.0
320.15369	4.5
402.22482	0.6
403.23099	1.0
464.26245	2.5
481.20416	40.1
481.26370	3.3
482.21140	1.2
482.27536	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	481.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
56.05013	1.3
57.03417	1.9
58.06593	4.0
61.02922	3.0
65.03908	1.3
67.05490	13.7
69.03419	9.2
69.07060	4.8
69.58263	1.5
69.58598	4.4
70.06622	1.3
71.05016	1.3
72.08161	2.2
80.36806	1.2
81.03419	3.1
84.08134	1.5
85.02898	25.5
91.47247	1.1
94.06556	1.8
95.04958	26.7
97.02879	19.8
103.03931	2.1
107.04950	3.1
108.08097	5.0
109.02872	4.1
112.07594	24.6
113.06001	2.8
114.10299	1.2
115.04583	1.0
122.09661	2.5
124.07619	1.6
127.03889	6.2
132.04494	1.1
136.07562	1.1
136.58922	1.1
140.07043	100.0
141.07303	1.1
145.02834	1.9
145.04942	4.7
150.09174	1.2
152.10638	1.3
154.08620	4.3
154.12270	3.0
163.06076	1.3
164.07077	1.9
177.05402	2.2
178.08661	2.2
182.08096	44.4
206.08078	9.2
218.08002	1.8
220.16957	1.3
231.07655	1.8
236.09138	1.4
248.09166	7.0
259.11801	1.8
266.10138	2.2
277.12955	9.2
284.11298	4.2
289.11664	1.3
302.12299	51.7
317.11282	2.2
319.15054	11.4
320.07373	1.4
373.13776	1.8
386.23077	1.7
404.24054	3.7
463.16675	1.4
464.26416	2.3
481.19186	8.0
481.26440	2.1
482.20480	2.4
482.27475	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
57.03428	0.5
58.59912	0.5
67.05485	0.8
68.01368	0.8
69.03422	1.1
69.07066	0.6
71.44601	0.5
72.08141	0.9
79.05482	0.8
81.03415	0.8
81.07033	1.2
85.02888	3.3
89.03931	0.6
91.05475	1.6
93.07021	0.8
95.04974	0.9
95.08577	0.8
97.02864	0.9
97.06539	0.5
105.03371	0.6
105.07019	0.5
106.06464	0.4
107.04942	12.5
116.04163	0.6
116.04964	9.1
117.05743	0.6
120.04472	2.2
128.04993	1.2
129.04475	2.8
130.06435	0.4
131.05981	0.8
134.05969	3.0
137.69957	0.4
146.06006	2.6
155.06006	1.3
156.04402	1.6
156.06853	1.1
174.03987	1.0
174.05486	19.8
183.05507	1.8
192.49725	0.4
199.05080	0.6
218.20839	0.4
235.08640	1.0
302.09192	100.0
303.09500	5.3
320.10266	8.7
321.45822	0.4
481.30157	0.6
482.23178	1.5
482.29031	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.2
57.03418	10.3
58.06582	1.7
59.04986	4.3
61.02911	1.7
67.05492	6.4
69.03419	27.5
69.07058	3.5
69.30157	2.7
69.30553	3.5
71.04984	7.6
73.02910	3.8
75.53762	1.1
79.05489	6.6
81.03423	1.4
81.07043	18.4
81.98058	1.0
83.04965	2.4
83.08604	9.6
83.23123	1.3
85.02888	19.6
87.04454	17.6
91.05469	2.7
93.07030	34.6
95.04958	1.8
95.08594	25.5
97.02878	21.2
97.06516	19.5
101.09644	3.7
105.07024	2.5
107.08579	52.7
109.02874	1.6
109.10140	33.7
111.08090	1.8
115.03914	24.6
115.04697	1.9
119.78627	1.1
123.11682	15.0
127.03893	2.7
133.04947	23.0
135.11674	87.0
136.12012	1.2
137.02338	6.1
141.12724	3.3
145.04930	3.3
150.07594	3.5
152.03404	5.2
153.12717	55.2
161.82751	1.3
171.13779	100.0
172.14119	2.0
178.04855	1.3
182.65723	1.1
184.06075	2.4
194.97000	1.1
206.04459	2.1
259.08139	1.8
288.05023	4.3
464.26581	1.8
482.20654	1.9
482.27518	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	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
57.03423	3.3
58.06593	1.0
59.05004	1.3
69.03418	14.0
69.03762	1.8
69.07057	2.3
70.60894	1.7
71.04984	13.0
73.06541	3.9
79.05474	2.7
81.03414	2.6
81.07045	15.5
82.10866	0.9
83.04990	1.3
84.69994	0.9
85.02885	11.4
87.04450	10.4
91.05459	1.2
93.07034	9.8
95.08614	1.8
97.02875	16.3
97.06510	1.2
107.08566	7.5
109.02866	1.3
109.10166	1.6
111.04449	1.2
115.03908	26.0
123.64169	1.0
127.03930	2.3
133.04948	23.6
135.11673	19.3
145.04950	3.8
153.12714	100.0
154.13098	2.8
178.53409	1.0
179.31721	0.9
184.73444	1.0
219.01059	0.9
259.07956	1.4
285.16901	2.2
295.10083	1.8
482.30084	5.1
499.65219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65049	2.5
56.07582	2.4
57.03437	16.1
59.05009	3.7
60.04517	2.9
61.02918	3.3
67.05501	5.9
68.93425	2.2
69.03065	3.1
69.03426	59.4
69.07054	8.4
70.40214	2.6
72.49852	2.1
78.41689	2.4
79.05495	5.0
81.03409	4.9
81.07026	4.1
85.02897	45.6
87.04457	39.4
93.07047	5.2
95.08585	6.8
97.02887	49.3
97.06527	2.8
98.22707	7.6
99.04430	2.7
105.07060	2.8
107.08558	3.0
111.11718	3.1
115.03917	73.6
127.03923	4.2
133.04956	100.0
135.11671	4.3
136.74409	2.4
143.08549	2.5
145.04932	6.8
150.07645	5.7
152.50992	2.3
153.12714	10.9
165.09235	2.4
171.13795	16.4
186.54543	2.4
195.13699	3.2
221.03645	2.6
228.84850	2.4
241.98885	2.7
249.14876	5.5
259.08075	2.9
267.15894	4.7
285.16769	3.2
304.82544	2.5
482.28552	3.6
483.22009	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	482.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
56.05028	1.5
58.06596	6.7
61.02912	1.1
65.14510	0.4
67.05500	0.7
69.03415	0.7
69.14993	2.7
70.06577	0.6
71.01335	0.4
71.04980	0.9
72.08138	0.7
79.05477	1.4
81.03438	0.7
81.07047	0.9
84.08137	1.4
85.02889	3.1
86.09682	0.5
88.07595	0.6
91.05476	2.2
93.07025	0.9
93.60186	0.4
94.06545	0.5
94.47056	0.5
95.04918	0.7
96.08141	1.2
97.02890	1.3
97.06474	0.4
103.05450	0.4
105.07024	1.5
107.04968	1.6
108.08135	2.1
108.97156	0.4
109.02901	0.6
109.06504	0.7
110.06049	0.4
110.09691	0.7
111.08096	0.9
112.07601	0.8
117.07020	1.2
119.04986	0.5
121.06551	0.7
121.08898	0.5
122.09672	1.7
123.04441	0.6
123.08092	0.7
127.03926	1.0
128.06226	1.0
129.06995	1.8
131.08574	1.1
134.94225	0.4
136.07603	0.7
137.02336	2.3
137.05960	1.0
138.09145	0.8
140.07077	1.8
140.10712	1.7
141.07008	0.8
143.08568	0.9
145.04980	0.6
147.04405	0.6
147.07986	0.5
152.03452	2.6
155.08566	1.4
157.10167	0.8
159.10419	0.6
162.19987	0.4
163.06059	0.5
164.07072	1.5
165.07024	1.0
167.08553	1.2
169.10098	0.7
171.10246	0.5
172.11232	0.7
173.09715	0.7
178.07735	0.6
179.08652	1.5
181.10159	0.8
182.08154	1.5
183.08304	1.2
184.06041	0.5
184.11302	0.6
186.12802	0.6
191.08650	0.9
193.10135	0.9
195.11655	0.6
200.14270	0.5
204.09438	0.5
205.10075	0.5
207.08450	0.7
209.09532	0.6
219.11726	0.9
221.13309	0.7
223.11183	0.5
249.12724	0.5
261.31787	0.5
277.12216	0.4
279.49652	0.4
288.05139	1.3
302.06522	0.5
303.09680	0.4
303.13046	0.9
305.61057	0.5
320.07669	0.5
322.18262	0.5
338.01468	0.4
346.20279	1.6
354.20511	0.7
370.19919	0.5
372.21753	1.0
386.22989	0.6
388.21219	0.6
390.22791	1.1
404.24277	1.2
414.22968	1.4
418.22281	0.6
422.25275	1.1
432.23755	1.2
446.25580	2.5
447.25439	0.4
450.24911	4.1
464.26523	7.8
482.27490	100.0
483.18127	0.7
483.20547	0.8
483.27731	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	482.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01860	0.4
56.04773	0.5
56.05028	6.3
57.03430	0.4
58.06594	7.0
58.06890	0.3
59.04979	0.3
62.91523	0.2
65.03934	0.2
67.05496	0.9
69.03402	0.3
69.49741	1.1
70.06593	0.3
71.04985	1.5
72.08131	0.8
74.06042	0.3
75.04474	0.5
76.29463	0.2
79.05472	0.9
80.05016	0.3
81.03374	0.6
81.07053	0.6
84.08123	0.3
85.02890	0.9
85.06528	0.3
87.04469	0.6
91.05443	0.9
93.07005	0.5
94.06578	0.2
95.04948	0.3
96.08107	0.4
97.02891	0.4
97.06527	0.4
98.09669	0.5
98.23396	0.6
99.04442	0.5
102.09184	1.6
103.54021	0.3
105.07018	0.7
106.26409	0.2
107.04938	0.4
107.08570	0.4
108.08105	6.2
109.02921	0.3
109.06509	1.2
111.08057	0.4
115.03938	0.3
117.07018	0.7
119.04925	0.3
119.08588	0.4
121.06483	0.4
122.09666	1.4
123.04434	0.4
123.08052	0.3
124.03962	0.4
124.11229	0.9
125.02353	0.7
127.03904	0.9
128.06186	0.9
128.10681	0.3
129.06969	1.4
131.04927	0.3
131.08539	1.1
134.09685	0.3
137.02342	1.8
137.05972	0.5
140.10619	0.3
141.06918	1.3
142.07816	0.5
143.08549	1.4
145.05013	0.3
145.06433	0.3
145.10123	0.4
149.06032	0.4
149.09619	0.3
152.03387	2.9
152.10678	0.6
153.06982	0.7
154.07726	0.6
154.12216	1.3
155.08522	1.2
157.06487	0.4
157.10109	0.7
158.09665	0.3
159.08025	0.5
161.09558	0.4
165.06972	0.7
166.07759	0.6
167.08527	1.2
169.06520	0.3
169.10146	0.8
171.08051	0.9
172.11278	0.3
173.09663	0.4
178.04967	1.0
178.07710	0.5
179.08545	0.9
181.06404	0.3
181.10095	1.1
183.08040	0.6
184.05997	0.4
185.09659	0.4
185.13327	0.3
186.09036	0.3
187.07591	0.2
190.07739	0.3
191.08533	0.7
192.09338	0.5
193.10146	1.1
195.08098	1.0
196.08759	0.3
197.09532	0.6
202.07845	0.6
202.29993	0.3
203.08485	0.6
205.10120	0.7
206.04405	2.2
207.08043	0.4
207.11632	0.3
208.08719	0.4
209.09537	0.6
210.12840	0.3
211.07568	0.4
211.11137	0.6
215.08540	0.3
217.10129	0.4
221.09641	0.6
223.11099	0.9
226.09601	0.3
233.09735	0.4
235.11137	0.4
239.10674	0.4
251.10869	0.4
267.10593	0.3
288.05038	1.2
340.19077	0.4
358.20364	0.3
372.17914	0.4
376.99631	0.3
386.19583	0.4
390.19067	0.9
418.22183	2.9
422.21799	0.5
436.14813	0.3
450.24820	27.9
451.25430	1.4
471.17841	0.3
482.27411	100.0
483.14420	0.3
483.27716	7.6
502.54706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2744
Annotation	18-Demethylpubescenine
Peak:m/z	Relative Intensity
56.05033	1.0
58.06594	5.5
61.02927	0.4
62.84806	0.3
67.05505	1.0
69.03431	0.4
69.07104	0.3
69.40211	0.5
69.40568	1.5
70.06603	0.4
71.01350	0.4
71.04985	1.1
72.08158	0.8
75.04508	0.3
79.05478	1.7
80.05013	0.3
81.03424	0.9
81.07056	0.8
84.08145	1.2
85.02898	0.7
86.09715	0.3
87.04454	0.4
91.05494	1.6
93.07054	0.8
95.04974	1.0
96.08118	0.6
98.09705	0.6
105.07012	1.0
107.04970	1.6
108.08091	2.1
109.02898	0.5
109.06495	0.5
111.08092	1.1
112.07590	0.5
115.05392	0.5
117.07023	1.3
119.04948	0.6
119.08560	0.4
121.06507	0.6
121.08957	0.4
122.09704	1.0
123.04421	0.5
123.08050	0.6
128.06236	1.0
129.06984	2.1
131.08566	1.7
133.06473	0.6
136.07658	0.4
137.02327	1.1
137.05995	0.6
138.09119	0.7
140.07086	0.4
140.10722	0.9
141.07010	0.9
141.98326	0.3
142.07747	0.4
143.07495	0.3
143.08559	1.1
145.06490	0.7
145.10149	0.5
147.08051	0.6
148.11139	0.5
152.03419	2.2
152.10681	0.4
153.06976	0.9
154.12263	1.0
155.08499	1.8
157.06502	0.6
157.10063	0.5
160.11264	0.5
161.09544	0.3
163.88411	0.3
165.07037	1.0
167.08542	1.0
169.06587	0.4
169.10118	0.4
171.08095	0.6
171.11644	0.4
172.11241	0.8
173.09654	0.3
173.59628	0.3
174.12831	0.8
178.07742	0.5
179.08594	1.1
181.10092	0.8
183.08081	0.6
184.11223	0.5
185.09546	0.6
186.12819	0.6
190.08025	0.4
191.08630	0.6
192.09369	0.4
193.10179	0.9
195.11824	0.7
197.09579	0.4
198.12862	0.3
200.14349	1.3
203.08604	0.3
203.10710	0.3
204.09425	0.4
205.10118	0.9
206.04611	0.4
207.11740	0.5
209.09677	0.8
209.13242	0.4
217.10274	0.3
219.11690	0.6
220.16885	0.4
221.13304	0.6
237.12759	0.4
239.14197	0.4
249.12889	0.3
260.70270	0.3
265.12088	0.5
267.11185	0.4
267.13889	0.6
277.12454	0.4
285.12369	0.7
288.05017	1.1
303.13440	0.8
322.17966	0.6
326.21353	0.4
336.19577	0.3
344.22131	2.2
346.20078	0.8
354.20667	1.4
362.23114	2.0
372.21716	1.8
382.20044	0.3
386.23407	0.8
388.21155	0.5
390.22604	2.5
404.24258	4.6
414.22864	1.1
422.25305	8.3
423.25677	0.6
432.23801	1.2
446.25537	2.8
450.24982	1.1
456.21988	0.4
464.26410	5.6
482.27496	100.0
483.18393	0.8
483.27765	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	482.2744
Annotation	18-Demethylpubescenine
Peak:m/z	Relative Intensity
56.05033	2.7
58.06331	0.6
58.06596	9.0
62.88063	0.3
67.05506	0.7
70.06594	0.4
71.04978	1.1
72.08144	1.3
79.05492	1.6
84.08123	0.8
85.02922	0.4
88.07657	0.3
91.05479	2.3
93.07051	0.7
95.04961	0.7
96.08118	0.5
98.09702	0.5
105.07042	1.4
107.04951	1.1
108.08101	3.9
109.06520	1.0
110.09667	0.5
115.05482	0.7
117.07031	1.4
119.04936	0.7
119.08652	0.4
121.08933	0.4
122.09667	0.9
124.11215	1.1
128.06178	0.6
129.06992	1.6
129.07857	0.3
131.04935	0.4
131.08577	1.5
133.06477	0.4
135.04337	0.4
135.08101	0.4
137.02309	0.3
141.06990	1.4
143.08560	1.5
145.06523	0.6
152.10736	0.7
153.06966	0.7
154.12216	1.9
155.08524	1.4
157.06555	0.4
157.10184	1.0
159.08064	0.8
159.11879	0.4
165.07051	1.1
167.08569	1.4
169.10115	1.2
171.08018	0.6
173.09613	0.5
179.08519	1.3
181.10149	0.9
183.08028	0.5
186.12703	0.5
191.08630	0.6
192.09268	0.5
193.10159	0.8
195.08047	0.4
195.11728	0.8
197.09634	0.5
203.08568	0.4
204.09471	0.6
205.10121	0.5
207.11696	0.5
209.09625	0.6
209.13239	0.6
219.11671	0.8
221.13213	0.5
231.11696	0.5
233.13278	0.4
237.12859	0.6
354.20535	0.5
362.23120	0.4
382.20032	0.4
386.23306	0.6
404.24756	0.7
414.22653	1.2
422.25363	1.7
428.24506	0.6
432.23792	1.0
446.25320	2.7
450.24872	1.4
464.26367	11.4
465.26669	1.1
482.27448	100.0
483.27747	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	482.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.9
57.03423	0.4
58.06593	5.9
61.02932	0.8
67.05494	0.5
69.03417	1.0
70.03734	0.4
70.77394	0.4
70.77719	0.4
71.04972	0.7
72.08138	0.9
73.02921	0.5
73.38727	0.3
75.48660	0.3
78.96161	0.3
79.05492	1.1
81.03410	1.0
81.07034	0.6
84.08135	1.4
85.02897	5.1
86.03237	0.9
86.09657	0.3
91.05486	1.4
91.45757	0.3
93.07045	0.6
94.06577	0.5
95.04965	0.5
96.08134	1.0
97.02880	1.5
98.03221	0.5
98.09714	0.4
103.03904	0.4
105.07039	1.0
107.04949	1.0
108.08118	2.3
108.08789	0.4
109.02868	0.5
109.06501	0.8
110.07179	0.3
110.09645	0.6
111.08092	0.3
112.07614	0.6
115.05456	0.8
117.07022	1.4
119.04951	0.4
121.06526	0.8
122.09634	0.4
127.03910	1.2
128.06218	0.6
129.06995	2.0
131.08577	0.8
133.06445	0.4
137.02336	0.6
137.06013	1.3
138.09140	2.2
140.03426	1.0
140.07066	1.2
140.10728	0.8
141.03725	0.5
141.07065	1.0
143.08508	0.8
145.04919	1.7
145.06561	0.7
146.05321	1.0
146.09659	0.5
147.08069	0.5
152.03471	0.5
152.10704	0.4
153.06987	0.7
155.08589	0.9
157.10161	0.4
158.09686	0.6
159.08070	0.6
160.11278	0.4
163.05992	0.4
164.07069	0.6
165.07002	1.0
167.08519	0.8
169.10109	0.4
171.08044	0.5
172.11243	0.9
178.07840	0.5
179.08598	1.7
181.10121	1.2
182.08139	0.8
183.08240	0.4
184.11221	0.8
191.08546	0.7
192.09122	0.4
193.10216	0.9
195.07994	0.5
198.12698	0.7
202.12247	0.4
203.08510	0.6
204.09303	0.6
204.13828	0.7
205.10107	1.0
206.08231	0.8
207.08366	0.4
216.10080	0.4
217.10110	0.5
219.11714	1.0
221.09319	0.3
235.11189	0.4
237.12671	0.4
247.11115	0.3
249.12831	0.5
258.51276	0.3
266.86948	0.3
267.11301	0.7
285.12317	1.0
303.13245	1.6
310.18094	0.4
321.14618	0.3
322.17880	0.4
324.19638	0.5
326.29855	0.4
336.19513	0.3
352.18845	0.3
354.20605	0.6
365.67090	0.4
372.21548	0.4
382.20050	0.5
384.21701	0.4
386.23566	0.4
388.21109	2.2
396.21649	0.6
402.22903	0.6
414.22751	2.9
416.24158	0.5
432.23837	2.0
434.25043	0.5
446.25412	5.7
447.25430	0.5
461.05728	0.3
464.26413	5.6
482.27441	100.0
483.27768	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	482.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42849	0.4
52.14862	0.3
55.05508	0.5
56.05038	0.8
57.07071	3.2
58.06601	1.6
60.08156	16.2
67.05494	1.3
71.07365	5.7
71.08614	1.4
81.03419	0.5
81.07044	1.3
83.08612	0.9
85.10180	1.0
86.09693	49.7
87.10031	0.9
89.05997	0.4
95.08587	1.0
97.10130	0.4
98.98450	2.9
104.10728	100.0
104.84585	0.4
105.11082	0.7
109.10111	0.7
123.11624	0.4
124.99984	27.0
150.62512	0.4
163.01637	0.5
184.07314	96.3
185.07675	0.8
240.35880	0.4
242.86497	0.4
258.11053	1.1
299.25754	2.1
344.27948	0.4
386.24219	0.4
405.24017	0.5
464.31287	8.8
482.32352	26.7
483.32672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
55.05500	24.7
57.03422	2.7
57.07061	21.8
63.36461	2.9
65.54757	2.2
67.05492	29.3
69.03407	3.8
69.07054	19.1
71.08630	21.9
78.73184	2.4
79.05485	17.9
81.03432	3.1
81.07044	25.3
83.04960	3.5
83.08604	14.1
85.10193	9.9
86.09676	3.1
87.16182	2.6
89.06011	26.9
91.05473	24.7
93.07040	27.1
95.04955	22.2
95.08601	19.0
97.06529	6.9
97.10143	5.1
99.78026	2.5
105.07014	28.6
107.04958	12.4
107.08573	17.0
109.06509	4.8
109.10164	9.2
110.49659	2.8
111.08102	3.7
117.07018	8.4
119.08586	22.9
121.06520	4.8
121.10139	8.5
123.08048	4.1
125.09601	6.6
130.07846	2.7
131.08578	12.3
133.08607	18.7
133.10115	19.8
135.08031	9.0
135.11629	5.5
137.09633	6.8
143.08566	3.0
145.10071	20.9
147.11674	9.5
149.09586	15.3
149.13287	2.7
154.54495	2.9
157.10088	2.8
159.11687	9.1
161.13345	3.2
163.11179	23.4
165.12747	3.8
171.11641	4.9
173.11792	6.0
173.13275	4.3
177.11188	8.7
177.12703	5.2
183.11644	3.4
189.11156	3.8
191.14244	2.8
199.12183	2.7
201.12700	3.5
205.12196	2.7
211.47250	3.0
223.13220	13.5
239.15219	3.0
239.17921	10.4
257.18906	13.5
275.20044	100.0
276.20438	4.0
283.17432	14.2
293.21078	36.3
345.56192	3.1
465.37540	9.4
482.38321	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	482.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
56.93034	1.1
57.07069	67.6
69.07047	6.9
69.84805	3.3
70.42900	1.0
71.08622	60.4
72.08957	1.2
73.06566	3.4
83.08607	4.4
84.82275	1.1
85.10172	37.4
87.04467	2.7
87.76936	1.0
89.06019	100.0
91.05468	1.2
94.48109	1.2
97.10153	2.8
99.11707	8.1
107.07031	2.4
111.11713	3.5
113.13275	4.5
117.09124	1.7
125.13258	1.3
126.99727	1.0
127.14803	4.8
130.08630	1.7
133.08591	54.3
151.09669	1.3
177.11212	23.1
178.11618	1.4
183.21106	1.1
185.77814	1.1
195.12285	2.9
221.13792	3.7
239.14880	4.0
243.91544	1.2
265.16718	1.3
271.26343	2.3
283.17493	30.8
315.28879	2.3
421.34903	1.1
465.37796	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	483.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00237	1.5
55.01867	2.8
57.03431	4.4
58.06586	4.3
60.20855	1.5
61.02912	3.0
62.30323	1.9
69.03426	11.3
69.07055	2.5
70.06584	30.7
71.00386	2.2
71.04993	1.8
72.08138	3.1
81.03409	4.4
84.08111	2.0
85.02897	25.3
87.04444	2.0
91.05460	3.0
92.91370	1.6
94.06554	4.3
97.02882	9.6
97.06533	3.0
107.04976	2.8
108.08120	8.0
109.02863	5.0
111.08100	2.0
112.07588	34.9
118.06558	6.4
122.06000	4.4
127.03870	4.0
128.05040	1.7
136.07570	4.7
137.06010	2.9
140.07062	20.0
142.08630	6.7
145.04922	3.8
145.07587	8.0
145.56044	1.7
146.06013	6.3
146.08382	3.6
152.03378	1.5
152.07097	2.2
158.08116	2.4
158.09541	2.6
164.07083	2.7
173.07092	53.2
174.07869	6.2
174.11646	1.7
182.09764	1.6
184.09807	4.5
184.11333	2.3
189.10173	11.1
194.04573	2.0
196.09863	3.3
201.10164	3.5
202.10896	7.6
203.11737	8.4
206.08459	6.3
211.12366	6.5
219.99712	1.5
220.09915	2.2
221.10846	4.0
223.08691	2.3
224.09442	4.4
227.08223	1.9
229.13477	4.6
232.12097	3.2
237.10272	2.8
238.10997	4.6
239.11763	16.0
244.12051	11.4
257.12851	22.8
258.11121	2.9
259.19635	1.5
262.13080	6.3
267.11258	31.9
268.11423	2.4
272.11554	1.8
275.13840	24.4
284.11328	2.5
285.12292	43.4
285.15363	2.4
287.13937	2.0
290.12466	7.9
293.14969	3.7
303.13342	100.0
304.08209	4.6
304.13763	8.7
321.14410	84.0
322.14810	3.6
389.21463	2.1
447.25778	2.4
455.20490	2.2
465.26608	4.1
483.13623	2.2
483.20187	5.2
483.27798	55.0
484.29434	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03432	3.0
58.06589	2.0
60.92057	1.1
61.02914	4.9
69.03415	11.7
69.07064	5.5
70.06585	36.2
71.08617	1.6
72.08156	3.8
73.02907	2.7
79.05480	1.4
79.43738	1.3
81.03407	5.9
84.04493	1.4
84.08128	2.8
85.02892	31.9
87.04446	3.1
94.06563	5.1
95.04935	1.5
97.02887	11.7
97.06505	3.9
99.04438	3.1
101.06033	1.8
103.03917	1.9
104.04998	1.6
105.07068	2.3
107.04932	3.4
108.08109	6.0
108.08763	1.3
109.02890	5.8
109.52741	1.1
111.08079	2.4
112.07591	32.4
114.09164	2.4
118.06516	4.7
121.05238	1.4
122.06005	4.5
125.63522	1.3
127.03897	7.3
128.04997	1.4
133.71234	1.2
136.07529	6.8
137.02333	2.1
137.05942	2.2
140.07045	23.1
142.08609	26.8
145.04973	5.5
145.07576	9.0
146.06021	6.3
146.08357	2.7
158.08128	4.3
158.09665	2.6
164.07126	2.5
168.06578	1.5
170.09644	1.8
173.05576	2.7
173.07086	49.3
173.10674	3.3
174.07832	6.1
174.11542	1.8
175.12323	2.0
176.03632	1.4
177.05479	2.6
178.19958	1.4
184.09711	12.1
184.11118	2.0
189.10193	13.7
194.04457	3.8
196.09941	5.8
201.10260	1.9
202.10806	6.4
203.11763	8.6
204.84322	1.6
206.08310	7.9
208.09718	3.0
211.12303	8.8
220.09856	2.1
221.10722	4.3
223.08731	2.4
224.09425	4.9
227.08128	1.8
229.09900	1.7
229.13316	4.1
230.11719	2.4
232.12074	4.6
238.10968	5.0
239.08151	1.7
239.11810	13.8
240.10144	2.0
241.13326	1.4
244.12051	12.8
247.14233	1.9
257.12787	20.0
258.11194	2.7
262.10217	1.2
262.12900	6.6
267.11224	26.7
268.11688	1.9
275.13855	22.4
284.11313	3.2
285.12289	46.8
285.15387	2.9
286.12714	2.5
290.12582	10.2
303.13342	100.0
304.08093	4.5
304.13873	17.7
321.14404	84.5
322.14862	2.7
324.01031	1.4
423.15421	1.7
447.25830	2.0
452.26263	4.1
465.26572	2.8
483.19769	7.2
483.27667	32.1
484.29291	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	483.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19796	1.2
55.01878	1.5
56.69568	1.2
57.03433	3.2
58.06588	2.4
60.04536	3.0
61.02921	4.0
69.03419	13.9
69.07063	17.6
69.33475	5.2
70.06580	18.3
71.04985	2.0
71.08620	12.4
73.02908	2.6
74.53784	1.2
81.03403	6.4
83.01328	1.9
85.02895	49.2
86.02423	3.4
87.04502	1.8
94.06564	1.2
96.08109	2.8
97.02882	22.0
97.06524	3.8
99.04461	3.7
101.05951	1.5
103.03947	2.8
109.02840	8.7
112.07597	12.1
114.09148	12.7
127.03905	12.8
138.09116	2.6
140.07047	6.0
142.08617	100.0
143.08928	2.2
143.83736	1.4
145.04944	9.9
152.10709	1.8
156.10185	2.9
163.05992	1.8
173.07112	5.4
173.86372	1.2
174.07773	1.6
184.09673	56.4
194.21501	1.3
198.75172	1.1
206.08325	1.9
208.09650	13.0
211.12399	1.6
220.09744	2.8
230.16101	1.4
235.04459	1.2
238.10921	2.6
239.11853	3.0
240.12233	1.3
244.12119	2.5
250.10693	8.6
257.12924	3.1
267.11267	4.3
268.11792	2.4
275.13947	4.4
285.12280	4.8
286.12799	3.6
303.13321	8.7
304.13876	43.6
321.14410	8.4
483.20660	2.3
483.27728	19.2
484.28735	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	483.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	26.0
57.03431	6.5
57.07061	11.8
67.05505	6.6
69.07059	33.0
69.62172	4.5
79.05483	9.1
79.88857	4.0
81.07034	11.6
83.08612	24.7
93.07060	9.9
95.08612	6.8
97.06467	5.1
97.10160	15.2
98.98457	13.3
107.08525	5.3
121.10178	8.2
131.08528	5.7
131.20709	4.7
150.08141	4.7
155.01016	6.6
210.82549	4.6
227.20045	7.0
282.11133	5.4
295.69467	5.1
311.25739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05495	16.3
57.63347	2.7
67.05499	21.4
68.18560	2.8
69.07059	10.5
77.10679	3.1
79.05481	22.3
81.03434	4.2
81.07045	45.2
83.04964	5.2
83.08592	13.4
91.05460	18.6
93.07037	20.4
95.04952	20.3
95.08609	15.4
97.06523	5.1
97.61789	2.8
98.22598	6.6
98.78281	2.9
105.07023	26.1
107.04933	7.6
107.08582	9.8
109.06503	13.5
109.10143	12.3
111.08080	4.3
117.07013	8.9
119.08572	23.5
121.06501	3.4
121.10119	11.9
123.08042	7.0
125.09595	2.6
129.07037	3.2
131.08578	11.9
133.10129	14.3
135.08052	4.9
135.11658	5.9
143.08499	2.8
145.10101	13.1
147.08044	3.1
147.11688	13.7
149.09610	13.0
157.10178	5.0
157.47902	3.0
159.11662	8.9
163.11133	13.5
165.12701	4.7
173.13298	5.4
189.11186	4.1
193.12279	3.4
200.91878	2.9
223.13316	10.3
229.19473	3.6
247.20540	3.8
257.19043	14.2
275.20023	100.0
276.20523	3.9
293.21082	26.8
339.68845	3.3
358.63306	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01865	3.5
55.05507	16.2
55.51387	2.0
58.78566	1.4
67.05494	22.7
69.07068	10.1
79.05489	18.7
80.66062	1.7
81.03419	8.2
81.07049	22.6
83.04983	6.1
83.08603	17.4
91.05460	23.8
93.07033	29.2
94.67080	1.7
95.04955	25.6
95.08594	15.9
97.06519	6.1
97.10188	4.5
98.22691	5.0
105.07011	25.0
107.04950	7.6
107.08569	14.2
109.06533	4.8
109.10147	9.2
111.00833	2.3
111.08054	3.8
117.07022	7.9
119.08579	18.2
121.06491	4.9
121.10143	12.5
121.86031	2.1
123.08089	3.5
123.11712	2.2
125.09656	4.5
129.06985	2.2
131.08557	9.3
133.10094	20.8
135.08080	4.5
135.11696	6.2
137.09566	4.9
139.00273	3.2
141.06984	1.8
143.08574	2.6
145.10118	21.2
147.08113	2.0
147.11693	8.3
149.09590	24.9
149.13196	2.1
151.11134	4.2
155.08612	2.2
157.01282	3.5
157.10179	2.5
159.11682	9.2
163.11139	23.1
165.12781	3.3
169.10112	2.5
171.11678	2.5
173.09584	4.6
173.13234	3.1
177.12733	3.4
177.24004	1.8
183.11661	3.4
185.13396	2.1
187.11235	3.2
189.11174	5.0
189.12717	2.4
205.12115	2.6
215.18054	1.9
223.13240	19.6
229.19565	4.0
239.17856	9.8
257.18954	17.3
275.20026	100.0
276.20383	6.8
293.21097	33.2
302.55286	2.0
430.98642	2.0
484.29050	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	484.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17464	2.1
53.03914	2.7
55.01886	2.7
55.05503	10.3
58.91018	2.4
61.52564	2.3
67.05496	21.3
69.03420	3.1
69.07049	14.8
69.86938	6.9
71.04945	3.4
77.03898	2.6
79.05476	22.5
81.03419	8.0
81.07042	38.5
83.04961	5.1
83.08589	4.3
87.74042	2.7
91.05476	19.2
93.07043	23.3
95.04964	7.7
95.08593	17.1
97.10162	4.1
105.07008	23.5
107.04939	14.8
107.08582	13.1
109.06502	10.1
109.10152	4.0
117.06986	7.5
119.08561	18.9
121.06508	4.4
121.10128	13.2
123.07998	3.1
123.11698	5.3
131.08530	9.4
133.10103	12.8
135.08043	8.5
135.11728	3.7
139.00262	2.8
139.11224	3.9
145.10147	6.1
147.11668	11.8
149.09616	6.9
154.43365	2.3
157.10110	3.3
159.11690	4.8
163.11172	3.1
171.11736	4.0
203.12764	3.3
237.14757	5.8
239.17958	3.7
257.19031	4.8
275.16998	5.5
275.20026	100.0
276.20316	6.9
293.21057	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	484.269
Annotation	Sczukitine
Peak:m/z	Relative Intensity
53.53352	0.3
55.05515	0.3
56.05029	0.4
57.07067	5.5
58.06585	0.5
66.99885	0.3
67.05491	0.5
69.03409	0.4
70.06582	0.5
70.63422	0.5
72.26368	0.2
74.06068	1.7
79.05482	0.8
81.07041	0.8
84.08100	0.3
85.02885	0.5
86.06084	0.3
86.09703	0.3
91.05461	1.5
93.07033	1.1
94.06545	1.4
95.04955	0.4
95.08593	0.6
96.08103	0.3
97.02879	0.4
97.06516	0.4
99.08080	0.3
104.10732	0.8
105.07005	1.8
107.08568	0.3
108.08102	0.5
109.06504	0.3
109.10172	0.2
110.06033	0.7
115.05450	0.3
116.07095	0.5
117.07001	0.9
119.08581	0.8
120.08100	0.3
124.07573	0.3
128.06198	0.4
129.06989	0.6
130.05067	0.3
131.08580	0.8
132.08089	1.6
133.10175	0.4
134.09633	0.5
141.06993	0.4
143.08542	1.0
144.08060	0.7
145.08908	0.5
145.10059	0.5
146.09634	0.8
147.08052	0.5
148.11172	0.6
149.08362	0.3
153.06966	0.4
155.08528	3.2
157.08850	2.5
157.10120	0.8
158.09631	7.3
159.10406	0.6
160.11182	0.7
162.09135	0.8
165.07004	0.8
166.07791	0.4
167.08501	0.6
169.10101	0.9
172.11145	0.2
174.09065	1.7
176.10704	0.6
177.09050	0.3
178.07857	0.5
179.08539	0.9
180.09338	0.5
181.10083	1.6
183.11688	0.6
184.07297	0.4
184.11281	0.2
190.12239	0.5
192.09319	0.7
193.10074	1.4
194.10945	0.4
195.08151	0.3
195.11726	1.8
196.11049	0.3
197.09698	0.5
204.09415	0.4
205.10182	0.6
206.10909	0.8
207.11655	0.7
209.13292	1.1
216.10068	0.4
217.10327	0.5
218.11760	0.3
219.11713	0.8
220.13254	0.5
221.13193	1.0
223.11221	0.3
223.14732	0.4
224.14345	0.5
230.10797	0.5
233.13394	0.3
235.14793	0.8
236.14380	0.3
237.12744	0.4
245.13229	0.7
247.14896	0.2
250.15884	0.5
251.14351	0.3
252.13904	0.7
255.06870	0.3
256.06314	0.2
263.14221	0.7
264.17566	0.5
266.15308	0.3
266.18924	0.4
276.17416	1.4
278.15286	0.4
292.16803	0.3
293.17657	0.3
294.18466	2.0
304.16910	0.9
312.19537	0.6
322.17963	4.1
340.18918	1.8
354.20584	0.9
364.18933	0.8
382.20047	9.2
383.20328	0.5
400.21271	1.0
424.24597	0.3
437.12128	0.3
442.26184	0.5
452.16907	0.4
456.27493	0.4
484.26871	100.0
485.19849	0.5
485.27225	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	484.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.5
57.07068	54.1
58.54120	0.7
67.05503	1.0
69.03422	10.1
71.04974	2.0
71.44531	0.8
73.02898	2.3
79.05459	1.2
81.03397	1.5
81.07038	3.4
85.02895	9.3
85.06528	14.6
87.00793	0.9
87.04436	4.2
93.07014	1.3
95.08588	2.8
97.02881	8.2
99.04449	1.2
105.06993	2.0
109.02887	1.7
115.03912	8.1
121.10188	0.8
127.03898	1.9
127.11166	0.7
133.04930	5.5
133.10149	1.8
137.13266	3.9
145.04926	1.8
147.11664	1.3
150.07526	0.9
155.14285	100.0
156.14639	2.2
173.15353	44.6
174.15694	1.3
191.14349	1.0
324.33344	1.0
339.17151	0.9
342.01782	0.9
378.14627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93739	1.3
57.03422	4.6
57.07066	68.0
69.03425	12.5
71.05009	3.2
73.02910	2.0
81.03397	1.6
81.07056	2.6
81.69832	1.2
85.02881	9.6
85.06523	14.2
87.04460	6.1
95.08603	2.7
97.02872	10.1
97.32294	1.5
115.03921	6.5
133.04958	5.9
137.13264	3.2
155.14284	100.0
166.05058	1.7
173.15352	26.5
441.47119	1.4
484.22015	3.9
484.28772	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	484.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	1.1
55.07224	1.2
57.03429	7.7
59.04991	1.4
69.03421	22.3
69.07057	4.4
70.28067	1.0
71.08624	55.1
73.02902	2.1
76.90302	1.1
77.54639	1.0
85.02899	16.6
87.04457	15.1
97.02882	17.3
98.23432	2.5
99.08082	100.0
100.05095	2.0
100.08400	1.8
115.03912	20.8
116.78333	1.1
127.03819	1.4
129.12727	12.7
133.04953	16.5
145.04955	1.4
155.08551	2.9
155.14307	2.6
173.15349	60.7
174.15654	1.4
199.09586	1.2
259.07932	1.2
274.00906	1.1
321.56937	1.4
334.95523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.29
Annotation	Thr Val His Lys
Peak:m/z	Relative Intensity
51.63921	0.4
56.05021	0.8
56.24915	0.4
58.06594	6.2
61.02924	0.7
66.46940	0.4
69.60238	1.5
69.60591	0.8
71.04944	0.6
72.08137	0.7
73.62120	0.4
75.04471	1.5
79.05477	1.2
80.04996	0.5
84.08134	1.4
85.02888	1.0
88.07641	0.4
91.05473	1.2
93.22437	0.4
95.04948	0.5
96.08132	0.4
96.31225	0.4
98.09695	0.4
102.09183	0.5
105.07006	0.9
107.04936	7.6
108.08116	1.5
115.05465	0.7
117.06997	1.0
121.02888	0.4
122.09659	1.2
125.06060	0.5
128.06183	0.7
129.06998	2.6
130.07741	0.5
131.08565	0.9
141.06972	1.4
143.08607	1.0
145.06454	0.5
151.56805	0.4
152.10710	1.7
155.08525	0.7
158.09621	0.6
159.08005	1.0
160.11249	1.4
161.09589	0.8
162.09045	0.4
165.06949	0.5
167.08565	0.4
171.08107	0.6
172.11214	1.8
179.08472	1.0
182.11858	0.7
184.11169	1.1
185.12057	0.9
186.12805	1.6
187.07671	0.4
188.10658	0.5
191.08551	1.1
193.10086	1.0
195.08052	0.7
202.12357	0.8
203.08496	0.5
205.10246	0.4
209.09552	0.5
212.10709	0.5
213.11713	0.4
214.12267	0.9
216.13872	0.9
217.10152	0.6
219.08003	0.7
219.11658	0.5
223.11162	0.5
223.99068	0.4
247.11012	0.5
265.12326	0.5
308.16281	0.7
344.18457	0.9
352.19064	1.4
370.20114	1.0
384.21564	1.1
388.21329	1.0
402.22617	2.9
420.23691	2.1
434.25290	9.3
435.25763	0.5
452.26257	3.8
466.28137	2.1
484.28998	100.0
485.29288	4.7
506.01721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.29
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
58.06595	5.9
59.05002	0.4
61.02903	0.7
65.03933	0.4
69.60177	1.0
69.60537	0.4
71.01348	0.5
71.04991	0.7
72.08144	0.7
75.04477	1.2
79.05479	1.5
80.04991	0.4
81.07083	0.4
84.08144	1.1
85.02888	0.8
86.09689	0.3
88.07613	0.4
91.05470	1.0
93.03387	0.3
95.04950	0.5
96.08151	0.4
98.09649	0.4
100.07610	0.4
102.09156	0.7
105.07040	0.5
107.04945	7.7
108.08096	1.4
109.06499	0.4
112.07601	0.4
115.05431	0.6
117.07008	0.9
122.09676	0.7
125.05967	0.5
126.09126	0.4
128.06219	0.7
128.10710	0.6
129.06989	2.1
131.08565	0.9
133.06538	0.4
134.09621	0.4
141.06996	1.1
143.08569	1.0
145.06451	0.6
147.08073	0.4
152.10680	1.4
153.06876	0.3
155.08572	0.8
158.09615	0.9
159.08067	0.8
160.11168	1.5
161.09618	0.7
165.07066	0.7
167.08586	0.6
171.08017	0.5
172.11180	1.1
173.09628	0.6
173.11914	0.5
178.07721	0.7
179.08572	0.9
181.10184	0.6
182.11702	0.8
184.11215	1.1
185.09608	0.6
185.11975	0.7
186.12810	1.8
191.08525	1.0
192.09306	0.3
193.10089	0.7
195.08054	0.7
197.09692	0.3
202.12236	0.6
203.08597	0.6
204.09261	0.3
205.10168	0.7
207.11772	0.3
208.08862	0.4
208.51981	0.3
209.09474	0.5
211.11240	0.6
212.10658	0.5
214.12248	0.6
215.08578	0.4
216.13858	0.5
217.10115	0.9
218.15375	0.7
219.08131	0.3
221.09572	0.5
223.11252	0.6
229.10283	0.6
231.08002	0.4
235.11223	0.7
247.11278	0.5
249.12720	0.3
263.10727	0.5
264.04010	0.3
265.12207	0.4
277.12280	0.3
280.54474	0.3
308.16449	0.5
310.18137	0.5
320.16510	1.0
327.15866	0.4
334.21097	0.3
338.17490	0.4
340.19083	0.6
344.18738	0.5
352.18985	1.3
370.20041	1.0
376.21295	0.4
384.21616	0.8
388.21173	1.2
402.22610	3.9
402.27448	0.5
416.24316	0.6
420.23761	2.0
434.25351	11.3
435.25955	0.7
452.26422	4.0
453.26947	0.4
466.28052	2.2
484.28989	100.0
485.29327	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	484.2901
Annotation	Thr Val His Lys
Peak:m/z	Relative Intensity
53.03927	0.5
56.05031	4.9
57.03422	0.5
57.94054	0.3
58.06594	7.6
61.02920	0.3
65.82766	0.3
67.05500	0.8
69.03420	0.8
69.07043	0.8
69.94006	0.4
71.01346	0.4
71.04974	0.7
72.08138	0.7
75.04469	0.4
75.34882	0.4
77.84860	0.4
79.05477	1.2
81.03409	0.4
81.07036	1.6
83.08607	0.7
84.08136	0.5
85.02888	2.8
85.06516	0.5
87.04449	0.4
91.05486	0.9
93.07021	0.7
94.24616	0.3
95.04958	0.5
95.08591	0.6
97.02876	1.3
97.06512	0.4
97.95207	0.3
98.09670	0.5
102.09145	0.9
105.06969	0.7
107.04932	1.2
107.08539	0.8
108.08105	4.0
109.06516	0.7
109.10140	0.5
111.04419	0.5
111.08105	0.4
117.06964	0.6
122.09660	1.1
124.11194	0.8
125.02345	1.6
125.09634	1.0
127.03868	0.4
127.11283	0.3
128.06223	0.8
129.06984	1.3
130.40804	0.4
131.08531	1.0
134.09651	0.4
137.05891	0.4
141.06989	1.2
143.08531	1.0
143.10663	0.8
144.08084	0.6
145.04977	0.6
145.06483	0.4
145.10075	0.5
149.13332	0.4
152.10722	0.8
153.06944	0.5
154.12254	1.7
155.08539	1.2
155.10641	0.6
157.10120	0.6
158.10854	0.4
159.08095	0.5
165.06921	0.8
167.08534	0.9
167.14291	0.7
169.10101	1.2
171.07982	0.4
173.11777	0.7
178.07686	0.6
179.08528	0.8
181.10139	0.9
183.08098	0.4
183.11722	0.3
191.16501	0.4
193.10089	0.9
195.07999	0.5
197.09596	0.4
205.10132	0.4
207.08067	0.6
207.11853	0.5
209.09515	0.5
211.11162	0.5
218.15309	0.4
223.11269	0.4
311.37167	0.3
323.13840	0.4
338.17392	0.3
360.17700	0.4
370.20361	0.4
388.21063	0.5
392.20990	0.6
402.22961	0.6
420.23691	3.0
424.23596	0.4
452.26340	19.3
453.26855	1.2
484.28986	100.0
485.29318	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	484.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
57.07069	28.0
67.05487	0.8
70.06438	1.8
71.08621	27.5
71.21078	0.7
73.06544	7.4
81.07038	1.0
83.08596	3.3
85.10172	24.5
87.04451	3.1
89.06021	100.0
97.10165	1.2
99.11718	3.0
107.07036	3.5
117.09093	3.6
130.08623	1.3
131.07010	1.1
132.05067	0.7
132.07239	0.8
133.08592	48.2
135.10152	1.1
141.16377	3.8
177.11188	17.0
185.18976	6.5
185.54674	0.9
195.12343	1.1
212.81946	0.8
221.13828	3.1
229.21631	7.7
239.14871	2.6
256.66669	0.7
273.24194	4.7
283.17496	1.9
327.20020	6.7
379.30338	1.1
423.33447	0.7
462.12866	0.7
467.35846	10.7
484.37570	1.2
484.47144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
57.07069	34.3
58.06593	3.3
67.05492	6.0
68.04994	1.8
69.07068	6.1
70.06191	1.5
70.06581	29.9
71.08624	17.0
72.08157	1.4
73.02905	3.0
79.05470	1.2
81.07053	6.0
83.08621	4.5
85.10169	8.6
88.07618	45.5
95.08576	7.8
97.10163	3.8
99.94400	1.1
102.09167	29.7
106.08649	2.0
109.10152	2.6
177.73083	1.0
200.20070	31.2
218.21231	2.5
228.23184	60.7
229.23567	2.4
246.24283	6.7
255.23177	6.0
256.26318	3.0
283.26257	65.9
284.26633	2.0
311.29382	30.5
484.47189	100.0
485.47760	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	484.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
55.95673	0.3
57.06811	0.7
57.07071	8.9
58.06578	1.1
63.19117	0.4
67.05495	1.2
69.07056	1.7
70.06230	0.5
70.06586	8.1
71.08622	4.5
73.02907	1.1
81.07042	1.3
83.08615	1.4
85.10153	2.0
88.07620	11.3
95.08599	1.5
97.10175	0.7
102.09166	7.7
106.08653	0.4
109.10143	0.6
112.72086	0.3
135.78983	0.4
151.73857	0.4
200.18201	0.9
200.20067	17.4
218.21211	1.4
228.23201	19.2
229.23486	0.6
246.24271	1.7
255.23195	1.5
256.26346	1.1
283.26273	18.8
284.26724	0.6
311.29391	15.7
312.29620	0.5
352.31097	0.4
484.47186	100.0
485.47504	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	485.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.9
57.07054	23.0
59.04989	5.9
59.39473	4.1
67.05499	9.6
68.47649	4.7
69.03419	15.4
69.07068	19.4
69.59333	17.0
71.04980	5.1
73.06552	5.6
75.57809	4.4
78.96241	4.5
79.05502	5.4
81.07044	70.2
85.02908	23.3
85.06541	85.6
87.04488	5.8
95.04987	5.9
95.08572	36.8
97.02899	10.3
97.10167	8.1
99.08079	77.2
115.03934	5.2
120.01546	4.6
125.09642	10.7
125.29945	4.4
126.09966	7.4
137.13226	28.7
147.04477	4.4
155.14285	65.5
162.75829	4.5
173.15385	32.7
184.35512	5.4
191.14619	8.1
191.16379	100.0
207.06404	7.2
289.02890	4.2
370.51068	5.1
384.65860	4.5
425.07535	6.3
470.93951	4.6
485.29605	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95329	3.1
55.05502	11.5
57.03421	8.4
57.07062	26.8
59.04981	4.5
67.05493	10.2
69.03427	17.9
69.07057	11.6
71.04976	16.3
71.57510	3.9
73.02917	6.0
79.05491	4.6
81.03407	7.4
81.07050	83.1
83.04958	3.9
85.02888	16.4
85.06528	28.9
87.04406	4.7
91.05463	12.2
93.07005	5.0
95.08596	50.2
97.02862	14.2
97.10152	13.0
99.08080	88.1
107.08559	5.5
109.10100	5.2
111.04380	3.8
120.08125	4.6
121.53587	3.5
127.03894	4.7
133.04904	5.6
137.09581	6.4
137.13216	35.6
155.10739	6.2
155.14288	77.4
173.11650	4.9
173.15320	35.6
191.07031	3.7
191.14499	8.7
191.16386	100.0
207.06393	5.3
260.48044	3.9
276.18130	3.7
292.98364	3.8
305.14948	8.1
311.09644	11.4
323.15918	5.3
425.07681	7.7
425.13104	9.2
485.29050	15.2
501.99829	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	485.287
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.22418	2.4
57.03416	7.4
57.07067	25.5
67.05484	6.3
68.04473	2.4
69.07061	5.5
69.16602	2.2
71.08622	15.0
79.05497	2.7
81.07047	9.0
83.08596	5.6
85.10175	8.4
85.60442	2.4
89.06011	8.1
95.08591	10.4
95.46985	2.4
98.23445	9.3
98.98444	7.9
105.07035	4.0
107.08549	2.6
109.10114	5.8
121.06477	2.6
133.08604	4.7
133.10094	4.0
155.01030	3.4
160.00098	2.6
199.74742	2.5
276.53616	3.3
276.71564	2.9
313.27341	100.0
422.75562	2.7
440.50726	2.5
484.47122	2.9
485.32895	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	486.2692
Annotation	Mesaconine
Peak:m/z	Relative Intensity
69.46150	0.4
69.46741	1.5
70.06557	0.6
71.04964	0.5
72.18620	0.4
74.06041	0.4
75.04462	0.8
79.05456	0.6
83.54614	0.4
85.02899	1.6
87.04449	0.7
91.05460	1.0
94.06560	1.5
95.04953	0.7
96.01957	0.4
96.08091	0.5
98.23451	0.8
105.07027	0.9
107.07290	0.5
107.37256	0.4
108.08121	1.2
108.22594	0.4
109.51136	0.5
111.04370	0.5
115.05434	0.6
117.07053	0.5
121.06532	0.5
122.14484	0.4
125.02316	2.4
128.06204	0.8
129.06963	2.0
131.08566	0.7
138.09097	1.4
141.07008	1.0
143.08562	0.7
143.37776	0.4
145.06509	0.8
147.08017	0.5
153.06929	0.6
155.08546	1.4
157.06491	0.6
157.10095	0.4
158.09621	0.9
159.08023	1.1
161.05992	0.4
165.06950	0.9
166.07698	0.5
167.08586	1.5
168.10248	0.6
169.10129	0.8
171.08136	0.8
171.10469	0.7
172.11180	0.9
173.09557	0.6
176.10681	0.5
178.07808	0.6
179.08545	1.6
181.06398	0.5
181.10173	1.2
183.08046	0.9
185.09642	1.1
187.11121	0.8
188.10739	0.5
190.07753	1.0
191.08409	0.8
192.09346	0.5
195.08037	0.8
197.09601	0.7
198.12868	0.6
202.12383	0.7
203.08546	1.0
205.10114	1.7
207.08075	0.5
209.09602	1.2
217.10069	0.6
221.09593	0.7
223.11356	0.7
233.09550	0.4
235.11166	0.7
237.08969	0.7
253.50676	0.4
265.12238	0.5
310.14423	0.6
311.12799	0.7
372.18210	1.4
378.19193	1.5
390.19073	0.9
404.20618	4.5
406.21964	0.6
420.03152	0.4
422.21729	2.7
436.23239	11.5
437.23477	0.7
454.24365	4.0
468.25824	1.5
486.26923	100.0
487.27246	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	486.2693
Annotation	Mesaconine
Peak:m/z	Relative Intensity
56.05011	0.5
56.96545	0.5
58.06583	1.7
61.28525	0.3
62.98685	0.4
70.06581	0.6
70.66291	0.6
75.04478	1.0
76.88576	0.3
78.11215	0.3
79.05476	0.4
82.06583	0.4
84.08139	0.5
85.02893	1.5
87.04438	0.4
91.05463	0.8
94.06537	0.7
95.04959	0.5
96.08134	0.3
97.02885	0.5
98.75723	0.3
98.97559	1.3
105.07024	0.6
107.04887	0.5
108.08118	0.8
110.97569	0.5
111.04490	0.4
114.46510	0.4
116.98589	0.4
117.07008	0.5
121.06493	0.5
125.02332	1.3
126.09167	0.3
127.03979	0.3
128.98532	0.5
129.06992	1.1
131.08571	0.5
132.08040	0.4
138.09125	1.0
141.06973	0.8
143.08577	0.6
153.06908	0.6
155.08527	1.1
158.09656	0.6
159.08072	0.5
165.07033	0.6
167.08580	1.2
170.09666	0.7
171.08052	0.4
172.11307	0.4
173.09662	0.4
179.08530	1.0
181.10092	0.6
185.09621	0.6
187.11156	0.4
191.08496	0.5
193.10121	0.7
195.08047	0.6
200.14426	0.4
201.00726	0.4
205.10143	1.1
207.08165	0.5
207.11621	0.5
208.08955	0.4
209.09674	0.8
217.01331	0.4
217.10133	0.4
221.09641	0.4
225.09082	0.5
233.09674	0.6
237.02759	0.4
237.09019	0.6
238.12416	0.4
245.09779	0.4
251.10789	0.5
261.02686	0.9
274.06976	0.4
283.13345	0.4
310.14548	0.4
311.12692	0.5
314.52750	0.4
322.55383	0.4
360.18130	0.5
372.17902	0.8
378.19174	1.2
386.19672	0.6
390.18793	0.5
404.20673	2.9
422.21701	1.9
436.23242	9.0
437.23712	0.6
450.24554	0.5
454.24402	3.8
468.26080	2.1
486.26917	100.0
487.27170	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	486.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83706	0.3
58.03182	0.3
58.06575	0.4
69.46526	1.8
70.06569	0.7
71.04972	0.4
74.06064	0.4
75.04468	1.0
79.05474	0.8
81.03400	0.5
82.06577	0.4
83.14260	0.4
85.02905	1.3
87.04459	0.6
88.07616	0.5
90.60487	0.4
91.05468	1.0
94.06554	1.4
95.04966	0.7
97.02878	0.4
97.06534	0.6
105.07042	0.6
107.04989	0.4
108.08099	1.1
109.06526	0.6
111.04463	0.4
112.69091	0.3
115.05478	0.5
117.07034	0.5
121.06432	0.4
124.07577	0.6
125.02354	1.2
128.06230	0.5
129.06990	1.7
130.75478	0.4
131.08517	0.6
138.09106	0.8
141.06952	0.8
143.08562	1.0
144.08069	0.5
145.06500	0.5
145.08934	0.5
152.06065	0.4
155.08563	1.4
159.08110	0.8
161.09541	0.4
165.07068	0.5
167.08537	1.0
168.10184	0.4
169.10095	0.5
170.09663	0.8
171.08054	0.6
172.11224	0.8
176.10736	0.5
178.07658	0.4
179.08569	0.9
181.10088	0.5
184.11153	0.5
185.09654	0.5
191.08502	0.5
193.10112	0.7
195.08034	0.6
195.11800	0.4
197.09604	0.8
198.12697	0.6
205.10040	0.9
207.08128	0.8
209.09644	0.7
215.08670	0.5
217.10143	0.4
218.32076	0.3
221.09616	0.9
223.11227	0.7
224.10797	0.5
228.92523	0.5
230.08081	0.4
233.09552	0.5
245.09599	0.4
259.28839	0.4
263.10623	0.4
340.15378	0.4
360.18338	0.5
372.18024	1.4
378.19077	1.1
390.19272	0.8
404.20706	4.2
405.20303	0.4
422.21515	2.2
436.23315	8.8
437.23682	0.9
454.24265	4.2
468.25632	1.6
486.26938	100.0
487.27310	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	486.2849
Annotation	Staplabin
Peak:m/z	Relative Intensity
55.79387	0.4
57.07069	6.4
58.06581	0.8
62.24888	0.4
69.21389	2.0
70.06561	0.9
79.05476	0.6
81.07047	0.9
86.06042	1.0
87.04439	0.9
91.05463	1.1
93.07031	0.5
94.06552	1.0
95.08565	0.7
105.07016	2.9
107.08569	0.5
108.08081	0.4
110.17799	0.4
119.08576	0.6
129.06992	0.6
131.08543	1.0
132.08037	0.5
139.11272	0.4
141.06999	0.5
143.08556	0.8
145.10103	1.0
146.09663	0.7
155.08556	1.3
157.10095	0.9
158.09619	1.3
162.12778	0.4
165.06938	0.6
167.08530	0.5
169.10146	1.0
179.08531	1.0
180.09248	0.7
181.10141	0.8
190.12292	0.7
192.09364	0.8
193.10097	0.8
195.11668	1.8
205.10121	0.6
206.10837	0.6
207.11644	0.9
211.14677	0.4
217.10037	0.6
219.11676	0.6
221.13287	1.1
247.14819	0.6
262.15723	0.5
278.19025	1.8
280.20581	0.4
294.18335	0.8
296.20139	1.4
306.18585	2.7
324.19485	5.7
329.18793	0.4
339.00748	0.5
342.20547	1.1
366.20602	0.7
384.21600	4.2
440.28003	4.1
468.27374	20.2
469.27652	1.2
486.28403	100.0
487.28659	6.9
513.87701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58501	0.4
55.25607	0.4
58.46476	0.4
61.27246	0.4
63.05003	0.4
67.05492	0.9
69.83791	0.4
69.84109	0.6
79.05453	0.4
81.07068	1.1
93.07022	0.5
95.57458	0.4
101.48518	0.4
105.07033	0.4
107.08592	0.4
108.40222	0.4
117.07115	0.3
140.57837	0.4
159.11623	0.5
170.34935	0.4
203.05283	0.7
240.35745	0.4
259.07928	0.6
277.86255	0.4
286.86377	0.4
360.07089	0.4
487.28705	100.0
488.29044	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	487.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37702	5.7
53.01925	5.7
55.01880	6.2
55.05513	21.6
57.03419	13.0
57.07072	7.1
59.19931	5.3
61.02925	10.2
62.75901	5.7
64.38026	5.2
67.05495	88.6
67.05819	8.7
69.03421	10.8
69.07063	18.3
71.04998	7.0
79.05476	85.6
79.56509	5.5
81.07043	100.0
83.08627	18.5
87.79889	5.3
91.05456	50.9
93.07024	93.1
95.04966	16.7
95.08579	58.9
96.61945	5.8
99.08114	8.2
103.40442	5.4
105.07006	40.2
107.08581	53.0
109.06509	6.8
109.10145	45.0
117.07023	17.0
119.08556	30.1
121.10124	57.6
122.29405	5.2
123.11729	19.4
125.09686	7.0
130.18163	5.6
131.08560	36.5
133.10152	25.4
135.11671	59.5
135.13324	7.0
137.09621	5.9
137.13301	9.6
141.03526	6.1
145.10100	37.7
147.11703	22.3
149.13235	32.6
159.11707	24.0
173.13310	25.3
187.14883	8.6
195.60078	5.8
215.17899	57.8
233.18959	52.6
275.72815	6.1
307.22696	16.0
325.23511	8.6
398.56665	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	487.3413
Annotation	Acerinol
Peak:m/z	Relative Intensity
51.02360	3.6
53.03933	4.8
55.01857	4.8
55.05503	24.9
57.03425	10.9
57.07065	3.6
59.04987	1.3
61.21333	1.2
65.03937	3.5
67.05497	65.0
67.05857	3.3
68.06758	1.3
69.07058	19.3
71.01346	2.5
71.04964	5.3
72.92181	1.2
77.03905	2.2
77.49316	1.3
79.05480	93.2
81.03403	3.6
81.07046	51.5
81.07435	0.8
83.04971	11.9
83.08607	9.2
85.06539	4.5
87.27858	1.2
91.05466	42.4
93.07030	100.0
94.07332	1.5
95.04955	17.8
95.08591	27.1
97.06525	10.9
97.10159	12.1
99.08103	3.5
105.04483	4.4
105.07004	27.8
107.04993	1.6
107.08572	42.3
109.06516	2.8
109.10139	14.8
111.08068	4.1
117.06983	13.5
119.08560	19.0
121.06491	2.3
121.10133	41.4
123.08079	2.3
123.11687	2.2
125.09608	4.8
128.06226	1.4
129.06969	6.1
131.08537	13.4
133.10110	13.2
135.08018	1.4
135.11671	57.8
136.11996	1.4
137.09590	3.5
141.06917	1.4
143.08551	6.0
145.10112	21.8
145.12062	1.2
146.99814	1.5
147.11658	8.5
149.09604	1.7
149.13266	3.2
153.12741	5.8
155.08505	1.3
157.10092	5.5
159.11678	11.9
161.13252	2.5
163.11140	9.0
167.08559	1.2
169.10152	2.6
171.11632	5.2
173.13261	6.0
181.12213	6.4
183.11630	2.6
185.13191	3.7
195.11639	1.7
197.13210	2.3
199.14836	2.5
209.13181	1.7
215.17874	6.6
233.18991	4.6
255.15848	3.9
271.20703	2.0
289.21521	1.4
307.22678	1.5
377.28302	2.7
389.27008	1.9
395.29352	8.9
413.30408	2.2
423.70508	1.3
425.82224	1.3
451.31818	1.5
469.33087	4.4
487.34558	96.7
488.34708	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	488.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.5
64.99931	0.3
65.03913	0.3
67.05489	0.3
69.03407	0.4
69.33314	1.2
70.06574	0.6
74.06053	0.4
80.05013	0.2
82.06561	0.7
83.04975	0.3
85.02892	0.9
87.04475	0.4
90.87952	0.2
91.05476	0.9
94.06551	0.9
94.60730	0.2
95.04953	0.5
96.08082	0.3
97.02859	0.6
98.23434	0.4
105.07031	0.6
107.04926	0.3
108.08102	0.4
109.02850	0.4
111.04458	0.6
115.05448	0.7
117.07003	0.9
121.02842	0.4
121.06478	0.3
123.04406	0.7
124.07606	0.7
124.43270	0.2
125.02338	1.0
125.05970	0.3
128.06172	0.4
129.06978	1.8
131.04927	0.3
131.07257	0.2
131.08536	1.4
136.59846	0.2
138.14340	0.2
139.03851	0.5
141.06975	0.8
143.08505	0.5
144.08057	0.6
145.06467	0.6
145.08839	0.5
146.09628	0.9
146.57359	0.3
147.08034	0.3
149.02292	0.5
153.06958	0.5
155.08513	0.7
157.06454	0.6
157.08916	0.3
158.09648	0.9
159.08005	0.6
160.11229	0.6
161.09619	0.4
162.09044	0.3
164.06993	0.3
165.06970	0.6
167.08606	0.7
169.06473	0.3
170.09660	0.7
171.07945	0.6
172.11224	0.5
178.07811	0.4
179.08514	0.6
181.06459	0.4
181.10199	0.3
183.08127	0.6
184.11224	0.3
186.09042	0.3
188.10706	0.8
190.12274	0.3
191.08594	0.7
193.10094	1.0
195.08049	0.7
196.11169	0.3
197.09671	0.6
200.10582	0.3
203.08557	0.7
205.10112	0.5
207.08058	0.5
209.09598	0.5
211.11404	0.4
212.10693	0.4
214.12202	0.3
216.10097	0.3
219.01697	0.3
221.09615	0.9
225.09085	0.4
231.08022	0.3
233.09528	0.4
235.07506	0.3
237.09193	0.5
239.10747	0.3
244.13284	0.3
249.09142	0.3
251.10617	0.3
258.11264	0.3
264.13766	0.3
280.13483	0.3
318.37564	0.3
326.13837	0.3
340.15695	0.3
344.00607	0.3
358.16394	0.6
362.15927	0.9
370.16336	0.6
376.17572	0.4
380.17114	0.5
388.17609	1.0
394.18533	0.5
402.18900	0.3
406.18561	3.0
408.19928	0.3
420.20047	0.9
424.19629	0.5
438.21188	9.8
439.21500	0.4
452.22842	1.6
456.22049	1.6
470.23853	2.6
488.24823	100.0
489.25113	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31161	0.3
64.52702	0.4
65.03918	0.4
67.05496	0.3
69.03432	0.4
69.77099	1.0
70.06568	0.5
73.90922	0.3
74.06059	0.8
77.18187	0.3
79.05487	0.3
81.03397	0.4
82.06586	0.6
85.02897	0.4
87.04461	0.4
91.05463	1.1
94.06534	1.0
95.04939	0.4
97.02881	0.6
105.07007	0.4
109.06506	0.4
111.04439	0.7
115.05471	0.6
117.07001	0.9
123.04422	0.8
124.07581	0.7
125.02334	0.7
125.05981	0.8
128.06210	0.8
129.06985	2.0
131.07399	0.3
131.08548	1.3
132.08055	0.3
139.03867	0.7
141.06981	1.3
143.08530	1.1
144.08047	0.7
145.06467	0.6
145.08868	0.5
146.09631	0.6
147.04398	0.3
147.08057	0.3
151.07487	0.3
153.06992	0.5
155.08540	1.0
157.06505	0.9
158.09641	1.2
159.08032	0.8
160.11197	0.7
165.06970	0.4
167.08588	0.6
169.06514	0.6
170.09625	0.4
171.07974	0.4
172.11102	0.4
178.07774	0.7
179.08519	0.8
183.07968	0.6
187.07486	0.4
188.10707	0.7
190.12259	0.4
193.10141	0.8
195.07990	0.9
197.09612	0.4
200.10690	0.6
200.35048	0.3
201.09239	0.3
202.12152	0.4
203.08553	0.7
205.10083	0.4
207.08054	0.8
207.16956	0.3
209.09627	0.7
211.07529	0.4
214.12177	0.5
219.08031	0.4
221.09599	1.0
225.09082	0.5
231.07962	0.4
233.09689	0.5
235.07623	0.4
237.09117	0.4
249.09102	0.5
265.08569	0.3
274.73654	0.3
277.08331	0.3
281.11804	0.4
297.11536	0.3
309.11349	0.3
360.18134	0.4
362.15891	0.9
370.16495	0.6
388.17490	1.0
406.18500	2.9
408.20248	0.6
420.19806	0.7
438.21161	10.6
439.21362	0.8
440.22476	0.4
452.22922	0.4
456.22192	2.6
457.21893	0.4
470.23779	2.1
471.23993	0.3
476.45844	0.3
488.24826	100.0
489.25229	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	488.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62008	0.3
58.06578	0.5
65.03921	0.3
70.06588	0.7
70.18278	0.5
71.04974	0.5
74.06073	0.4
75.04475	0.8
79.05502	0.4
80.56391	0.2
81.37509	0.3
85.02901	0.5
88.07603	0.3
91.05477	0.4
93.03385	0.4
94.06564	1.1
95.04982	0.4
96.08134	0.3
97.02882	0.5
98.06039	0.4
105.07088	0.4
107.55307	0.3
108.08105	0.5
109.06506	0.4
110.06057	0.5
111.04449	0.5
115.05445	0.5
117.06962	0.7
119.08584	0.3
121.02885	0.4
121.06464	0.3
123.04429	0.4
124.07562	0.5
125.02344	0.8
125.05990	0.6
128.06226	0.5
129.06978	1.6
131.08577	1.2
138.09169	0.7
139.03882	0.5
141.06987	1.1
143.08531	0.8
144.08115	0.8
145.06494	0.8
146.09607	0.8
147.08075	0.4
154.08591	0.4
155.08572	0.9
157.06519	0.3
158.09637	0.6
159.08058	0.9
161.09641	0.6
162.09146	0.5
164.34256	0.3
165.06932	0.4
167.08606	0.7
168.08055	0.3
169.06464	0.4
170.09671	1.1
171.08037	0.7
171.10384	0.4
172.11194	0.5
173.09605	0.6
178.07727	0.4
179.08574	0.8
183.08043	0.6
186.09169	0.3
187.07509	0.4
188.10722	0.4
191.08585	0.4
193.10159	0.3
195.08043	0.7
196.11229	0.5
197.09648	0.3
200.35628	0.2
202.12296	0.3
205.10216	0.5
207.08098	0.7
209.09601	0.8
211.11418	0.3
218.11818	0.4
219.08051	0.6
221.09505	0.5
225.09193	0.5
228.10175	0.4
228.13898	0.3
233.09604	0.6
235.07693	0.4
236.10765	0.3
237.09132	0.5
249.09091	0.6
251.10828	0.3
265.03882	0.3
300.52124	0.4
338.14069	0.5
352.15500	0.3
360.95862	0.3
362.16180	0.5
365.90005	0.3
370.16437	0.7
380.16965	1.8
388.17480	0.7
402.19232	0.4
406.18707	0.4
420.20215	3.9
424.19766	1.1
438.21097	2.4
452.22714	7.9
456.22253	1.4
470.23865	4.1
488.24857	100.0
489.25180	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	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02375	0.6
53.03933	1.4
55.01863	1.5
55.05504	17.8
55.35712	0.8
57.03430	5.3
57.07063	2.8
59.05005	1.1
65.03922	2.3
67.05496	46.4
69.07059	16.2
71.04987	2.0
71.08633	0.7
71.64902	0.6
79.05482	27.6
81.07046	36.7
83.04963	1.5
83.08604	10.5
85.06538	3.1
91.05468	25.4
93.07032	30.8
94.03553	0.8
95.04947	4.5
95.08591	28.5
96.08968	0.9
97.06537	4.2
97.10164	3.7
99.08118	1.5
101.05984	0.7
105.07015	28.3
105.07722	1.7
107.04929	0.7
107.08582	19.1
109.06509	2.2
109.10146	18.4
111.08083	2.6
115.05403	1.1
117.06994	11.4
119.08563	27.3
119.09413	1.5
121.06481	1.3
121.10130	18.7
123.08016	1.7
123.11709	4.3
125.09613	1.9
128.06207	0.8
129.06999	6.2
131.08551	19.3
133.10107	21.9
135.08078	1.0
135.11665	9.1
137.09584	1.2
139.11165	0.8
141.07013	1.7
143.08549	8.0
145.10100	19.7
147.11661	15.6
149.09584	1.2
149.13226	6.6
155.08562	2.8
156.63486	0.8
157.10097	9.5
159.11684	15.3
160.12173	0.8
161.09633	1.2
161.13232	9.3
163.11180	1.3
163.14839	3.3
165.12680	1.1
169.10052	4.5
171.11659	9.4
173.11740	2.9
173.13271	11.5
175.11206	1.3
175.14838	4.0
177.12730	1.6
177.16403	1.1
181.10150	1.3
183.11690	4.7
185.11755	1.4
185.13245	8.0
187.11188	1.2
187.14813	6.4
189.16463	2.0
195.11662	1.4
197.13206	4.0
199.13306	0.8
199.14799	4.2
201.12714	1.0
201.16385	2.8
203.14284	1.8
209.13246	1.2
211.14822	2.4
213.14627	1.2
213.16394	4.8
214.10640	0.7
215.17915	1.5
217.15892	1.1
219.17406	0.8
221.13159	0.7
223.14864	0.9
225.16322	1.6
227.18066	1.5
231.17325	3.8
233.18967	1.2
241.17831	1.6
245.18983	1.9
253.19449	0.9
255.21176	0.9
257.18973	1.6
259.20621	3.0
261.22220	0.8
267.20871	0.7
271.20490	2.1
273.22125	1.8
275.20081	1.1
281.22830	0.8
285.22028	4.6
287.20068	1.0
287.23602	1.4
289.21664	1.5
293.21158	0.7
293.26508	0.7
299.23685	3.1
299.81592	0.7
301.21692	0.9
303.23203	1.7
313.25223	1.1
315.23227	1.6
317.24710	1.6
327.23093	1.1
331.26151	1.0
333.23962	0.8
334.06454	0.8
373.27402	1.0
377.26929	4.2
379.29849	8.6
391.28500	4.4
394.64310	0.7
397.30969	20.3
397.36017	1.4
398.31070	0.9
415.32065	5.7
433.33066	1.7
453.33652	1.5
471.34671	19.4
472.34949	2.1
489.35690	100.0
490.35974	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	489.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36163	1.7
53.03917	2.1
55.01873	2.6
55.05500	20.9
57.03426	5.6
57.07074	2.8
59.04992	1.7
65.03929	3.1
66.92561	1.7
67.05493	53.1
69.07063	18.5
71.04991	4.1
79.05481	30.7
81.03379	3.0
81.07044	41.9
83.08616	10.3
87.04479	1.6
89.17725	1.7
91.05467	26.5
92.59116	1.5
93.07036	30.0
95.04956	5.6
95.08597	25.0
97.06519	4.6
97.10167	5.4
99.08083	1.5
105.07016	30.4
107.08576	18.2
108.13784	1.7
109.06539	2.2
109.10146	24.5
111.08093	2.2
115.05462	2.7
117.07003	11.7
119.08562	41.6
121.10104	15.9
123.08098	4.1
123.11742	4.0
125.09630	3.4
129.06953	9.1
131.08557	20.8
133.10100	17.1
135.03258	1.6
135.11678	10.6
137.09560	2.8
137.13297	2.6
141.06932	1.8
143.08543	8.5
145.10115	20.4
147.11633	12.9
149.09579	2.6
149.13243	3.9
155.08530	4.2
157.10085	10.7
159.11684	11.9
161.09624	2.5
161.13226	9.0
163.11244	1.8
163.14856	3.6
169.10138	4.3
171.11627	7.7
173.11742	4.7
173.13268	9.1
175.11197	2.1
175.14900	5.7
177.12715	3.1
181.10083	2.3
183.11713	5.4
185.13237	9.6
187.14827	6.8
189.16530	1.7
197.13272	3.1
199.14874	6.3
199.45554	1.6
201.16434	2.4
211.14890	4.5
213.16454	3.7
221.15405	1.7
241.19568	2.6
243.21017	2.4
253.19560	2.0
259.20691	2.4
261.22180	4.3
266.04092	2.0
267.21042	3.0
273.22479	2.3
275.20172	2.8
277.21869	1.9
283.20630	1.9
285.22147	4.9
289.21756	2.2
299.23767	3.2
313.25195	1.9
317.24695	3.1
329.24863	1.7
354.77551	1.8
377.27026	4.8
379.29898	16.5
391.28488	2.2
397.30902	26.4
399.32901	2.2
415.32141	6.1
433.33258	3.8
471.34628	16.1
489.35809	100.0
490.36203	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	489.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01872	1.6
55.05503	18.0
57.03427	3.5
57.07064	2.5
57.15596	0.6
57.49082	0.6
59.04998	3.8
65.03932	4.7
67.05496	100.0
68.05836	1.5
69.03432	1.4
69.07063	11.9
69.41930	0.6
71.04984	3.3
71.08630	1.1
79.05482	31.2
81.07045	41.6
83.04972	1.2
83.08614	9.9
85.06550	2.5
85.96232	0.7
91.05469	24.0
93.07032	37.6
95.04955	4.4
95.08593	27.7
97.06519	2.3
97.10170	4.7
99.08089	1.6
105.04525	1.0
105.07018	17.7
107.08577	21.8
109.06524	2.5
109.10139	62.0
111.08070	3.8
111.11689	0.8
117.06995	9.2
119.08561	22.0
121.10124	14.8
123.08074	1.4
123.11723	2.3
125.09636	1.5
129.07010	2.7
131.08536	15.0
131.09453	1.1
133.10114	11.4
135.07996	1.0
135.11687	8.8
135.93921	0.6
137.09599	3.5
137.13275	0.8
139.11174	1.2
141.07007	1.3
143.08553	3.5
145.10095	12.6
147.11665	8.9
149.13261	5.8
155.08572	2.1
155.10587	3.3
157.10127	4.4
159.11688	7.9
161.13237	5.6
163.14830	1.6
169.10173	1.8
171.11719	3.3
173.11743	18.5
173.13263	7.1
175.14841	2.4
177.16475	0.7
183.11653	1.9
185.13277	3.2
187.14824	3.4
189.12657	0.8
189.16444	1.3
197.13271	1.9
199.14876	2.0
201.16313	0.9
211.14877	1.2
213.14658	1.0
213.16496	1.0
225.16553	1.2
227.18011	0.7
229.14316	1.7
241.19534	1.6
243.21120	2.5
253.19563	1.0
255.17616	0.7
255.21422	0.7
259.20459	1.1
261.22086	8.4
273.22095	1.2
285.22119	1.2
295.00851	0.9
299.23691	1.8
317.24753	2.2
333.24246	0.9
363.25729	1.0
377.26700	1.8
379.29822	4.5
397.30923	10.9
415.31760	3.2
433.33047	1.3
452.12750	0.7
471.34515	5.9
489.35666	85.1
490.35968	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.64795	1.5
53.03930	3.7
55.01863	3.5
55.05503	21.6
57.03431	7.3
57.07061	3.7
67.05492	44.6
69.07057	17.4
69.18227	7.5
69.18626	2.6
71.04996	3.6
73.10729	1.5
79.05481	29.0
81.07047	44.4
83.04976	2.2
83.08610	12.8
85.06536	2.7
91.05464	32.6
93.07028	38.0
93.79395	1.5
95.04961	7.0
95.08591	33.5
97.06527	3.7
97.10157	5.9
99.08067	2.4
103.05391	1.7
105.04475	1.7
105.07023	34.1
105.83585	1.7
107.05018	2.1
107.08578	25.5
109.10140	25.7
111.08065	3.3
114.05478	1.8
117.06992	13.9
119.08556	32.7
120.08923	1.7
121.10131	18.2
123.11721	5.0
129.06989	10.2
131.08551	21.6
132.09050	1.4
133.10104	25.6
135.11679	13.8
141.06963	1.9
143.08560	6.4
145.10103	19.8
147.11665	18.2
149.13278	6.9
155.08545	4.5
157.10088	9.7
159.11668	19.6
161.13235	9.3
163.11130	1.7
163.14766	2.5
169.10156	5.7
171.11665	12.2
173.11816	2.8
173.13208	12.0
175.14867	4.3
177.16446	1.7
183.11690	6.8
185.13245	11.9
187.14758	8.9
189.12833	2.3
189.16447	3.3
197.13310	4.4
199.14854	5.3
201.16406	4.6
203.18033	1.6
211.14821	2.1
213.16423	6.4
215.18001	2.9
224.24461	1.6
225.16382	4.2
227.18088	2.0
231.17484	4.3
241.17822	3.1
259.20654	3.9
275.20074	2.1
285.22195	6.1
289.21622	1.9
293.21136	1.9
299.23639	5.1
377.26801	5.3
379.29816	9.2
391.28421	6.4
397.30875	18.6
415.32031	4.9
471.34604	23.6
489.35693	100.0
490.36084	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	489.3569
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03934	1.4
55.01864	2.4
55.05500	17.0
57.03419	5.8
65.03938	2.1
67.05494	44.0
69.03417	1.9
69.07060	16.2
69.18533	6.3
70.06549	0.9
71.04987	3.0
73.67045	1.0
75.81237	1.1
77.03924	1.0
79.05486	27.0
81.03420	1.6
81.07045	39.6
83.04965	2.4
83.08608	9.6
85.06527	2.7
91.05466	32.2
93.07031	34.1
95.04951	5.0
95.08588	32.0
97.06521	4.4
97.10166	4.7
99.08088	1.6
105.04493	1.4
105.07015	25.4
107.04902	1.5
107.08571	19.2
109.06498	1.3
109.10150	14.7
111.08075	1.9
117.07001	9.8
119.08559	28.0
121.06460	1.3
121.10130	18.7
123.08102	1.9
123.11674	3.4
128.06210	1.6
129.06984	6.1
131.08537	22.9
131.09444	1.9
133.10103	19.5
135.11670	9.3
137.09605	6.1
137.13213	1.1
139.11203	2.0
141.06985	3.2
143.08528	8.1
144.09286	1.2
145.10089	21.1
147.08073	1.7
147.11658	16.0
149.09624	2.9
149.13240	6.4
155.08569	4.2
157.10088	9.0
159.11670	19.7
161.09576	1.8
161.13229	9.8
163.11147	1.5
163.14774	2.4
169.10115	5.0
171.10300	1.7
171.11658	10.7
173.11833	1.9
173.13231	14.1
175.11166	1.3
175.14827	4.1
177.12627	2.2
183.11671	5.6
185.11801	1.9
185.13202	8.2
187.14804	7.5
189.12721	1.5
189.16431	2.1
191.14293	2.0
195.11703	1.6
197.13300	3.4
199.13300	1.2
199.14796	6.2
201.16379	3.2
205.15923	1.2
209.13135	1.6
211.13115	2.0
211.14810	3.0
213.14783	2.7
213.16415	3.6
215.17969	1.8
217.15874	1.9
225.16428	2.4
227.18050	1.8
231.17432	1.3
235.16925	1.4
239.18011	1.7
241.19551	2.7
243.21121	1.7
245.19061	2.2
259.20621	3.7
261.22137	1.7
267.21179	1.1
273.22287	1.2
285.22095	4.9
287.23544	1.8
299.23599	5.6
301.21487	1.2
303.23279	1.4
313.21478	1.0
313.25143	2.2
315.23373	1.4
317.24722	2.1
327.23343	1.6
335.26065	1.3
359.25674	1.2
363.25208	1.2
377.26886	4.3
379.29810	11.1
387.28705	1.3
391.28278	6.0
397.30972	30.7
398.31311	2.6
405.30099	2.7
415.32120	6.1
419.28134	1.4
435.32376	1.3
453.18954	1.0
453.33929	1.6
459.35562	1.2
471.34607	27.2
472.34680	2.1
483.63470	1.1
489.35718	100.0
490.36044	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	489.357
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03935	2.2
53.83577	0.8
55.01859	2.0
55.05256	1.8
55.05505	22.5
57.03426	3.1
57.07076	1.5
59.05000	2.6
65.03929	3.9
67.05493	94.1
68.63963	0.9
69.07059	13.6
69.76017	3.0
70.58775	1.0
71.04987	3.9
73.41920	0.9
77.03939	1.1
79.05031	2.0
79.05484	32.3
81.07043	39.0
83.08611	11.3
85.06531	3.4
85.68317	1.0
90.57393	1.0
91.05461	28.2
93.07027	35.5
93.07595	2.1
95.04949	6.9
95.08591	31.6
97.06519	3.6
97.10166	3.9
98.23401	1.7
99.08087	1.4
103.05457	1.2
105.07015	25.5
105.07721	1.4
107.04932	1.1
107.07914	1.9
107.08579	22.4
109.06525	1.4
109.10136	49.1
111.08082	3.6
117.06988	9.6
119.08567	28.3
119.09427	2.2
120.37394	1.0
121.10128	15.3
123.11670	3.0
125.09641	2.6
129.06993	4.9
130.07797	1.3
131.08543	16.4
133.10106	19.6
135.08095	1.2
135.11646	10.4
137.09604	3.6
141.06992	1.8
143.08492	4.9
145.10101	17.7
147.11662	12.6
149.13248	6.4
151.11302	1.1
155.08565	3.0
155.10658	2.4
157.10127	4.4
159.11659	9.4
161.12119	1.4
161.13226	7.3
163.11145	1.1
163.14850	2.3
169.10107	3.8
171.11696	4.1
173.11722	13.2
173.13264	9.7
175.14825	3.7
183.11688	4.0
185.13239	5.0
187.14815	5.0
195.11658	1.2
199.14842	2.2
201.16353	1.8
211.14812	1.4
213.16429	1.7
215.17908	1.1
225.16405	1.9
227.18098	1.1
229.14328	1.2
243.21152	3.1
245.18945	1.3
261.22083	8.6
273.21924	1.1
275.19833	1.1
285.22089	2.2
299.23511	2.2
317.24701	2.8
377.26736	1.5
379.29971	10.5
391.28833	1.3
397.30994	13.9
398.31754	1.1
413.46680	1.1
415.32077	3.5
433.33304	1.5
435.33008	1.4
453.33261	1.7
471.34616	11.3
489.35663	100.0
490.36221	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	490.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.0
58.06596	23.1
68.16863	0.4
69.03410	0.9
70.56493	0.7
72.10223	0.4
79.12727	0.4
85.02888	1.2
85.52959	0.5
92.60701	0.3
100.63031	0.4
137.05951	1.1
145.02814	0.4
145.08896	0.5
157.60439	0.4
159.72990	0.4
162.09126	3.3
165.07002	1.3
174.09154	0.5
177.07988	0.8
181.06461	0.9
183.07997	1.3
190.08679	2.9
191.09467	4.3
192.10184	10.4
193.06386	0.4
193.10703	0.4
194.07253	0.8
196.03726	1.5
198.06850	0.5
200.08347	0.9
205.06470	5.8
207.07948	0.6
211.07538	6.4
212.08319	1.8
213.09146	1.2
215.10614	0.5
222.06776	2.3
223.07483	0.5
225.05641	0.5
225.09149	1.9
227.06949	3.8
228.07742	2.0
233.05971	2.6
234.06758	1.2
237.09058	7.6
239.06979	4.5
240.07552	1.0
242.09384	0.9
242.11752	0.6
243.10098	5.2
250.06284	0.8
251.06979	2.3
253.08617	1.7
253.11011	0.5
254.09409	1.8
255.06508	2.8
256.07242	0.6
257.11905	0.6
265.08563	9.5
265.11191	0.7
265.89267	0.4
266.09232	3.1
267.06473	1.6
267.09708	0.5
270.08832	4.2
271.09604	5.8
282.08936	3.8
285.11163	6.8
296.12589	0.7
297.11179	7.3
328.15390	25.6
329.15518	0.8
490.14200	3.4
490.20645	100.0
491.20944	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	490.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
54.41702	1.2
55.05504	5.4
57.02714	1.2
57.03432	1.7
57.07088	1.2
58.06596	6.9
59.05007	1.8
65.03923	1.6
67.05497	5.4
67.66589	1.3
69.03423	4.3
69.07054	2.5
69.28440	7.3
70.06593	1.4
71.04971	1.8
79.05473	6.8
81.03419	2.5
81.07046	5.9
83.04982	2.3
85.02892	9.4
85.06546	7.7
87.00838	1.6
89.03919	1.6
91.05472	17.5
93.07033	7.7
95.04961	2.2
95.08588	10.4
97.02850	3.1
98.23502	2.6
99.04478	1.8
103.05500	3.1
105.01853	5.8
105.07022	58.5
105.07734	2.8
107.08584	12.8
109.02879	3.3
109.06488	18.3
109.10143	1.8
113.25282	1.4
116.06219	1.5
117.03350	2.9
117.07015	7.0
119.08569	69.6
121.10120	14.0
123.08044	10.1
123.11709	6.1
127.03906	5.0
128.06224	1.5
130.07707	2.4
131.08540	9.0
132.09334	2.4
133.06512	4.1
133.10120	2.6
137.09586	7.7
143.08635	2.8
145.02881	7.4
145.04961	1.6
145.10136	15.9
147.11668	88.7
149.09615	12.2
151.07542	3.9
156.09358	6.0
159.07996	2.7
161.05910	2.6
161.09604	3.4
161.13226	2.9
163.11189	6.2
165.12749	5.0
171.11662	6.6
174.10408	4.1
177.05466	14.9
189.12721	79.3
190.13042	2.8
207.13780	100.0
208.14119	3.0
225.14868	3.6
231.05048	1.8
249.06096	4.1
284.09784	1.3
287.05405	2.4
328.11942	2.0
490.20663	2.2
490.31891	36.4
491.31842	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44842	1.4
53.03923	2.8
55.01861	4.8
55.05507	10.7
57.03421	3.2
59.66180	1.6
67.05496	23.0
69.03423	3.0
69.07053	12.3
71.04982	2.8
71.20026	1.5
79.05480	19.5
81.03408	5.4
81.07048	49.6
83.04959	3.7
83.08609	8.4
85.02892	10.8
86.92348	1.5
91.05470	19.3
93.07034	16.1
95.04973	10.5
95.08600	15.8
95.45367	1.6
97.02881	4.6
97.06500	4.6
97.10100	3.0
105.03370	2.2
105.04497	2.1
105.07033	19.0
107.04926	8.9
107.08573	11.3
109.02846	1.7
109.06503	17.7
109.10132	6.4
111.08063	4.5
117.06985	6.1
119.08575	17.1
121.06484	4.4
121.10155	8.3
123.08028	6.8
123.11691	6.0
127.03899	3.0
129.06989	2.0
130.07709	1.5
131.08563	8.4
133.06439	2.1
133.10110	15.4
135.08023	5.4
135.11671	3.3
136.09291	1.6
137.09581	6.4
145.05017	2.0
145.10109	9.5
147.07988	3.2
147.11685	14.5
149.09610	6.5
149.13260	5.3
151.11177	3.2
157.10182	3.1
159.11668	4.9
161.13161	2.0
163.11186	5.6
165.12764	5.9
169.10120	2.6
171.11583	1.6
173.13240	4.7
175.11211	3.7
177.12740	2.5
180.08714	2.7
193.12274	1.8
229.19598	1.9
239.17960	4.1
247.20578	3.8
257.18991	5.5
275.20032	100.0
276.20334	3.4
277.93552	1.9
293.21051	58.5
370.20071	11.4
387.46027	1.8
400.21054	3.8
490.27951	13.0
491.26730	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3157
Annotation	(-)-Oxysporidinone
Peak:m/z	Relative Intensity
56.93954	0.2
57.03429	0.3
58.06589	40.9
59.04980	0.3
59.06919	0.4
61.02917	0.6
69.03420	1.8
72.08160	0.4
73.02907	0.5
79.05478	0.6
81.03385	0.3
81.07053	0.9
85.02895	1.8
87.04496	0.4
91.05479	0.6
93.07027	1.2
95.08596	0.5
97.02849	0.5
98.09694	0.2
98.22718	0.8
99.04436	0.3
105.07024	0.4
105.34770	0.2
107.08589	0.8
109.02840	0.3
109.36805	0.2
113.70057	0.2
117.07016	0.6
119.08553	0.5
121.10146	0.4
126.36987	0.3
127.03921	0.4
129.07021	0.5
131.08549	0.6
133.10129	0.6
135.08017	0.8
143.08495	0.5
145.10095	0.6
146.29176	0.3
147.11700	0.4
151.11214	0.2
157.10141	0.5
159.11694	0.6
171.11646	0.4
173.13254	0.4
177.16341	0.3
178.16693	0.3
197.13306	0.3
233.98190	0.3
265.19574	0.4
284.23679	0.5
287.05429	0.4
310.22079	0.3
310.25159	1.3
312.26843	1.7
328.26279	3.0
490.31540	100.0
491.31927	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	491.1182
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.08491	0.3
53.03927	0.8
55.05498	0.5
57.00682	0.4
57.03401	0.5
58.06583	0.9
61.02916	0.7
61.18962	0.4
67.05470	0.4
68.99774	0.9
69.03417	3.2
70.21083	0.3
71.04972	0.4
73.02886	1.2
79.05447	0.7
81.03411	4.3
81.07027	0.6
85.02898	3.9
91.05456	0.6
93.07006	0.3
95.04963	0.5
95.08579	0.8
97.02875	16.4
99.04438	1.4
105.07005	0.9
105.33763	0.4
107.04924	1.0
107.08582	0.5
109.02846	2.2
109.10110	0.5
111.00797	0.6
111.08063	0.3
119.08581	0.5
121.02845	3.8
121.06511	0.4
121.10116	0.5
123.08006	0.5
127.03905	4.1
129.06932	0.4
131.08505	0.5
133.02863	0.6
133.04875	0.4
137.02278	0.9
145.04890	0.6
145.06506	0.5
145.10120	0.5
147.04341	0.7
153.01799	5.4
157.06425	0.7
165.01797	2.2
167.06923	0.4
171.04308	0.5
181.04829	0.4
183.02859	1.5
185.05920	0.5
187.05981	2.6
205.07051	0.4
213.05450	1.9
231.06380	0.5
241.04933	0.8
243.06493	0.4
246.41331	0.4
254.98380	0.4
258.05173	1.0
259.06073	0.4
287.05441	100.0
288.05817	3.9
490.31497	0.8
491.32666	0.5
492.29526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.118
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
50.95738	0.2
53.03939	2.2
55.01851	0.7
57.03419	0.7
58.06612	0.2
59.26378	0.2
61.02910	0.8
67.01822	0.2
68.99786	0.8
69.03420	7.6
71.04973	0.7
72.96326	0.2
73.02887	0.8
79.05510	0.2
81.03405	9.4
85.02487	0.2
85.02893	6.3
85.15100	0.2
93.07011	0.2
95.04907	0.2
97.02878	6.0
99.04447	1.6
101.02361	0.2
105.03370	0.3
107.04922	0.3
109.02864	6.2
111.00780	0.7
115.03887	0.3
117.06966	0.2
121.02863	3.0
121.03835	0.3
127.03892	6.4
128.80939	0.2
129.07031	0.2
130.37828	0.2
133.02824	0.4
133.05014	0.2
137.02316	0.9
142.64046	0.2
145.04929	1.2
145.06407	0.2
147.04375	0.8
153.01799	4.0
157.06473	0.5
165.01801	2.2
171.04373	0.3
171.38220	0.2
173.05952	0.2
176.32367	0.2
183.02829	0.9
185.05989	0.5
187.05988	5.6
205.07018	0.3
213.05447	1.3
231.06467	0.6
241.04948	0.7
258.05264	1.2
259.05881	0.4
287.05444	100.0
288.05777	4.0
297.09229	0.2
299.05469	0.4
329.06454	0.4
329.11884	0.4
333.39322	0.2
365.06485	0.3
395.07452	0.4
492.29611	0.9
513.17200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1178
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03940	3.6
61.02913	2.0
68.99783	1.2
69.03420	18.3
69.13300	4.8
71.04968	2.1
72.45224	0.8
73.02878	0.8
81.03403	8.9
83.01324	0.9
85.02892	19.9
97.02880	24.2
99.04446	4.9
105.29002	0.8
109.02864	28.7
113.69981	0.8
121.02799	4.0
127.03899	16.8
133.02824	1.0
139.03860	2.2
145.04947	10.2
147.04372	0.9
153.01782	5.5
164.59044	0.7
165.01779	1.8
169.04941	3.1
187.05957	3.7
205.07050	3.1
213.05515	1.6
241.05043	1.1
251.11571	0.8
258.05206	1.6
268.90659	0.8
287.05450	100.0
288.05753	4.1
329.05588	0.8
500.10858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.175
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
57.03403	1.2
67.00778	1.1
67.04220	1.2
69.03419	2.0
70.06564	1.3
81.03408	2.7
85.02880	4.3
86.09689	1.9
87.04452	1.4
89.03895	7.6
99.33846	1.1
107.04879	1.5
109.02866	2.2
117.03342	19.6
126.50407	1.4
127.03876	2.2
135.04414	1.9
145.01668	2.6
145.02817	48.0
147.04395	1.9
149.05911	7.3
153.48813	1.2
177.05437	100.0
178.05879	1.7
187.07518	1.9
198.11292	1.5
216.12341	1.7
321.09387	2.2
328.12662	1.7
329.11523	1.7
339.10764	4.1
365.17319	1.5
459.29321	1.4
485.23068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97742	2.2
57.03413	3.3
58.06598	46.5
59.06903	3.3
69.03405	6.1
69.25367	14.6
74.79252	2.3
85.02910	16.2
87.79824	2.1
91.05486	2.7
97.02841	6.4
98.23443	5.1
100.47282	2.4
103.03913	4.4
103.05408	2.3
111.04417	2.8
115.05466	3.5
117.03344	2.5
123.04385	8.9
127.03882	2.8
135.04395	12.0
137.02176	2.4
137.05942	6.9
143.04878	10.9
145.02776	3.7
147.04372	13.4
157.06407	2.4
161.05945	20.1
163.03891	68.5
164.07051	6.3
165.05438	2.5
175.03838	9.9
175.07532	5.0
177.05414	10.0
178.08578	10.0
181.04996	3.8
185.06041	2.8
187.03743	2.3
189.05432	28.8
190.05722	3.6
191.03227	2.4
191.09392	2.7
192.10019	7.4
193.04942	24.0
193.10553	2.8
201.05331	2.7
203.07042	2.8
205.04871	3.6
211.07442	3.3
213.05406	12.4
215.06929	5.7
217.04932	11.1
231.06497	15.0
235.05956	27.1
237.09116	2.9
239.09749	3.1
244.49504	2.4
249.07460	3.9
259.06003	20.6
266.09164	3.2
267.09201	3.6
272.09689	2.5
277.06952	15.1
284.09821	2.3
285.11218	4.2
295.04971	3.8
295.08093	57.9
295.11371	3.8
296.08575	3.8
298.11362	2.7
299.11639	3.8
328.15320	5.2
329.15729	7.4
330.16238	14.6
330.20514	26.8
372.39020	2.2
491.20575	3.3
492.21271	100.0
493.21909	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	492.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46840	7.1
55.05499	17.3
58.06594	10.7
58.89608	7.7
60.18444	9.8
61.02915	10.6
67.05495	88.4
69.07051	21.3
79.05479	37.2
79.96040	7.6
81.07047	99.6
83.08617	17.1
89.61393	8.5
91.05485	24.8
93.07041	27.9
93.76108	8.3
95.08594	70.3
96.08954	10.2
97.10149	11.2
99.08070	12.7
105.07042	28.3
107.08582	15.9
109.06537	9.6
109.10137	27.0
111.08000	13.7
113.09594	9.7
119.08583	24.3
121.10123	30.2
123.11678	21.3
133.10121	20.0
135.11665	11.1
137.13251	23.5
147.11632	21.7
201.38684	9.9
203.17912	100.0
221.18945	91.6
229.19907	9.9
295.22583	61.5
313.23590	15.8
379.25500	9.3
424.61206	11.1
492.29248	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	493.2789
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.75015	0.8
51.02373	1.2
51.02644	0.7
53.03931	3.2
53.89230	0.9
55.01862	15.9
55.05502	35.3
57.03428	14.0
57.07052	2.8
59.05001	4.9
60.06620	0.7
65.03924	2.9
67.05492	38.4
69.03419	5.2
69.07054	12.2
71.01340	1.8
71.04980	9.1
73.02890	0.9
77.03901	1.2
79.05479	50.9
80.05803	0.8
81.03403	78.5
81.07044	44.2
83.01331	9.9
83.04464	0.9
83.04967	28.3
83.08603	35.0
85.02891	31.6
85.03405	1.8
85.06518	3.2
88.17410	0.9
91.05465	48.8
93.07028	46.5
95.04955	40.3
95.05431	0.6
95.08588	17.8
96.21947	0.8
97.02887	6.8
97.06512	11.0
97.10141	5.8
97.88985	0.8
99.04440	3.5
99.08067	1.7
101.05945	1.1
103.05460	1.7
105.03378	1.1
105.04494	2.0
105.07012	35.2
105.07729	1.8
107.04936	17.8
107.08570	22.4
109.02865	1.3
109.06503	10.4
109.10120	5.7
111.04439	8.9
111.08065	16.6
113.05981	2.3
115.05421	3.0
116.19636	0.8
117.06991	12.2
118.81893	0.7
119.08559	30.3
121.06484	6.4
121.10128	18.1
123.08054	12.9
123.11689	2.4
125.05973	3.4
125.09589	5.0
128.06210	2.0
129.06996	14.0
130.07770	1.6
131.04941	1.1
131.08559	16.7
133.06476	3.2
133.10110	11.1
135.08037	4.0
135.11665	15.9
137.05928	0.9
137.09595	3.5
137.13234	1.0
137.37199	0.8
139.07504	1.4
142.07712	2.1
145.06410	2.2
145.10103	20.6
147.08020	5.1
147.11662	13.0
149.09586	6.4
153.12730	4.8
155.08504	2.5
157.10098	12.9
163.11165	34.0
165.09207	1.2
165.12726	3.6
173.09546	4.8
175.11154	16.1
181.12225	6.7
191.10657	5.8
193.12212	68.5
194.12521	1.5
209.11722	9.6
211.13260	69.5
212.13655	1.3
217.38483	0.9
223.32277	0.9
227.12708	5.4
249.15009	2.0
265.14182	1.0
267.15903	3.5
283.15411	4.5
373.23795	1.0
383.22073	4.3
401.23111	2.4
457.25333	1.2
475.26685	2.7
493.27936	100.0
494.28598	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	494.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
55.01851	2.2
56.96547	2.2
57.03424	4.2
58.06593	1.1
61.02676	0.9
61.02918	9.6
62.13699	0.8
69.03060	1.4
69.03417	22.5
71.04966	3.0
71.24661	1.3
73.02896	3.9
81.03404	10.0
83.01329	1.2
85.02890	100.0
86.03192	0.9
87.04447	2.8
91.03945	5.2
97.02877	29.3
98.97576	4.0
99.04459	4.5
107.04937	56.6
108.05305	1.6
109.02857	8.9
116.98604	1.6
120.08103	1.6
127.03890	28.7
137.05977	1.6
138.50087	0.9
143.00111	1.2
145.04935	48.5
147.08029	2.7
149.06003	2.3
153.05446	20.6
163.05992	14.6
164.06956	0.9
170.08026	1.2
173.05963	8.1
176.07054	1.8
177.05455	3.6
180.08662	6.8
191.07011	1.4
195.06534	2.5
201.00633	1.1
215.06987	1.3
217.76192	1.0
218.01822	0.9
219.01830	1.9
219.06517	11.5
230.06508	0.9
233.08058	1.9
237.02977	1.6
249.07574	1.4
254.98512	1.1
255.10205	1.8
261.07520	3.3
274.97491	1.2
279.08624	6.3
291.03711	1.9
297.09262	5.8
315.12213	1.5
332.14709	5.4
348.77042	0.9
435.11646	2.6
494.19287	1.8
504.81696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2746
Annotation	Anthriscifolcine D
Peak:m/z	Relative Intensity
50.45105	0.3
55.78750	0.3
56.05031	3.1
57.30387	0.3
58.06325	0.6
58.06595	6.7
67.05508	0.6
69.64376	1.1
71.04977	1.4
72.08138	1.0
75.04447	0.4
79.05481	1.5
80.04988	0.5
81.03413	0.4
81.07026	0.3
84.08140	0.9
85.02908	0.4
91.05466	1.3
94.06542	0.8
95.04943	0.7
98.09671	0.6
102.09151	2.1
105.07018	0.7
107.04950	1.0
108.08114	5.2
109.02850	0.7
109.06508	0.6
110.80824	0.3
115.05454	0.6
117.06994	0.5
121.06501	0.8
121.08864	0.6
122.09669	2.0
123.04394	0.5
124.11220	1.4
127.03901	1.2
128.06143	0.8
129.07040	1.0
131.08562	1.0
135.58672	0.3
141.06992	1.5
142.07809	0.4
143.08525	1.6
144.12787	0.3
145.06485	0.5
145.10176	0.7
147.08043	0.4
152.10675	2.1
153.05515	0.4
153.06987	0.9
154.07706	0.7
154.12276	2.8
155.08495	1.8
157.04944	0.4
157.06427	0.4
157.10110	0.8
158.07349	0.4
159.07997	0.8
165.06989	0.9
166.12306	0.3
167.08556	1.0
169.10121	1.2
171.08029	0.9
178.07693	0.6
179.08505	1.0
181.10168	0.6
183.11682	0.4
185.09636	0.4
186.12743	0.6
187.11215	0.4
191.08640	0.5
192.09203	0.4
193.10085	0.8
195.08083	0.4
197.09605	0.4
202.12285	0.4
203.08493	0.4
204.09296	0.5
205.10045	0.7
207.11725	0.4
216.09402	0.4
219.08232	0.4
219.11646	0.9
231.11800	0.3
247.11424	0.4
265.12131	0.4
340.18787	0.4
370.19986	0.4
384.21924	0.6
409.17596	0.4
412.21210	0.9
416.19916	0.6
434.25879	0.4
444.23895	3.8
446.25113	0.5
447.80191	0.4
462.24640	0.5
476.26379	17.0
477.26868	1.2
494.27383	100.0
495.27762	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	494.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.7
53.66502	0.6
55.01847	0.7
55.05528	0.7
56.05028	12.3
56.83855	0.6
57.07057	1.8
58.06592	19.4
59.04994	0.8
67.05507	1.6
69.03432	0.6
71.04990	2.5
72.08151	3.0
72.36648	0.7
75.04489	0.8
79.05487	3.5
80.04995	1.5
81.06245	0.8
81.07047	1.4
82.75900	0.8
83.04968	0.8
84.08159	1.6
85.06561	1.4
86.09693	1.4
88.07630	1.5
90.15948	0.6
91.05469	5.2
91.52653	0.6
92.36382	0.7
93.07056	1.4
94.06548	1.0
95.04958	1.6
96.08122	1.8
98.09697	1.5
98.22703	1.5
102.09206	3.6
103.05441	1.0
105.03391	1.3
105.07018	2.4
107.04980	2.1
107.08627	0.9
108.08107	14.3
109.06493	1.5
111.04471	0.8
114.09126	1.2
115.05450	1.2
117.07037	2.6
121.06511	1.1
122.09663	4.1
123.04408	3.8
124.11218	2.0
126.09187	1.3
127.03868	1.1
128.06210	2.0
129.06987	4.5
131.08546	2.8
133.10097	0.8
134.09639	1.6
135.08023	1.2
137.02335	1.4
137.05963	1.0
138.09158	1.2
140.10696	5.2
141.07008	3.6
142.07735	1.0
143.08559	4.0
143.84979	0.7
145.06497	1.2
145.10094	1.5
147.08015	0.7
147.11607	0.8
148.11189	1.1
152.10699	2.2
153.05664	0.7
153.07004	1.6
154.07732	1.6
154.12251	3.3
155.08519	4.9
157.06464	1.0
157.10132	3.0
159.08099	0.8
160.11230	1.1
165.06972	1.9
166.07689	0.8
167.08623	3.0
169.10114	2.6
171.08023	1.5
172.11182	1.2
173.09654	1.3
174.12769	0.8
175.07642	0.7
178.07816	1.7
178.12242	0.7
179.08545	2.3
180.09302	0.7
181.06480	1.0
181.10170	2.1
183.07953	1.2
183.11676	0.7
184.11166	1.0
185.09647	0.9
186.12775	1.8
191.08536	1.7
192.09282	1.7
193.10124	2.8
195.08006	0.9
195.11725	1.8
196.06055	1.0
196.11069	0.8
197.09659	1.6
198.12833	0.8
199.07489	0.8
200.14301	1.7
202.07791	0.8
203.08517	1.4
204.09349	2.3
205.10114	2.2
206.04465	0.9
206.10789	1.0
207.11687	1.9
208.08856	0.8
209.09520	1.1
210.12872	0.7
213.09061	0.9
215.08725	0.7
216.09233	0.7
217.10178	1.6
219.07927	0.8
219.11710	1.8
221.09612	1.1
221.13252	1.2
223.11131	0.8
231.11786	1.2
233.09552	0.9
233.13239	0.9
235.11301	1.6
237.12709	1.2
247.11075	0.8
249.12592	1.3
251.14339	1.6
265.12131	1.2
306.18811	0.9
312.19476	3.8
316.19131	1.0
324.19574	2.4
342.20679	7.0
352.19104	0.9
356.22205	3.8
370.20114	1.0
374.23196	31.3
375.23584	2.0
384.17841	1.1
392.24216	19.7
416.20163	3.5
444.23477	6.1
476.25888	36.1
477.26706	2.8
494.27341	100.0
494.31201	77.1
495.27609	6.7
495.31516	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	494.2742
Annotation	Anthriscifolcine D
Peak:m/z	Relative Intensity
56.05022	1.3
58.06594	12.0
60.08155	0.4
67.05502	0.9
71.04965	0.4
72.08144	2.8
73.69669	0.3
79.05480	1.4
80.05019	0.4
82.06561	1.0
84.08132	3.0
85.02891	1.4
86.09676	0.4
88.07633	1.6
91.05460	2.7
93.07044	1.3
94.06528	0.6
95.04946	0.8
96.08154	1.6
98.09661	0.7
103.05444	0.5
105.07037	1.6
107.04954	2.0
108.08105	4.6
109.06499	0.7
109.08929	0.4
110.06039	0.5
110.09669	2.6
114.09159	1.2
115.05469	0.6
117.07017	1.4
119.08556	0.9
120.08118	0.4
121.06563	0.7
122.09662	3.4
124.11218	0.3
125.05923	0.4
126.09151	0.4
128.06210	1.3
129.07004	2.7
131.08585	1.4
133.06477	0.5
133.10138	0.5
134.09663	0.6
135.07991	0.5
136.07631	0.6
137.05928	1.7
138.09123	2.3
140.10678	14.9
141.06985	1.3
141.11055	0.5
142.07779	0.5
143.08569	2.1
145.06480	0.9
145.10063	0.6
147.08049	0.5
151.07481	0.4
153.06987	1.0
153.68149	0.4
155.08542	1.9
157.06496	0.6
157.10138	1.0
158.09613	0.6
159.08095	0.5
159.11621	0.3
165.06931	1.5
166.07657	0.3
167.08549	2.1
167.88341	0.3
169.08641	0.3
169.10089	1.3
171.07991	0.3
171.10345	0.4
172.11200	1.1
174.12666	1.7
176.10722	0.4
178.07729	0.6
179.08530	1.9
180.09315	0.7
181.10110	1.5
183.08171	0.8
185.09610	0.7
186.12793	0.9
187.53969	0.4
188.14261	0.4
191.08638	0.9
192.09363	0.5
193.10094	1.6
195.08043	0.4
195.11700	1.0
198.12769	0.4
200.14279	3.0
201.15099	1.2
203.08647	0.3
204.09428	0.5
205.10121	1.0
207.08105	0.4
207.11708	1.2
209.09636	0.7
211.11275	0.5
212.14334	0.4
213.12575	0.3
215.08653	0.5
217.10088	0.4
219.11734	0.8
221.09721	0.4
221.13264	1.0
223.11156	1.2
225.12709	0.6
230.15469	0.3
231.11606	0.6
233.13260	0.7
235.11198	0.6
237.12709	0.6
241.12210	0.4
249.12790	0.9
251.14380	0.3
264.13879	0.4
267.13852	0.3
294.18500	1.1
298.18225	0.4
324.19580	1.1
326.21097	2.3
338.21118	0.8
339.16080	0.3
342.20514	0.6
354.20419	0.5
356.22272	1.1
366.20648	0.7
374.23621	0.4
384.21613	1.6
386.23157	2.2
388.21140	0.4
398.23175	2.7
407.56598	0.3
412.20724	0.4
416.24292	14.6
417.24564	1.2
426.22607	0.5
430.21970	0.6
434.25174	1.0
458.25385	0.5
462.25003	0.8
476.26309	4.0
494.27423	100.0
495.27762	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	494.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18521	0.3
56.05030	0.9
57.26107	0.3
58.06593	6.5
67.05484	1.0
69.03431	0.5
70.06570	0.4
71.00948	0.4
72.08149	1.9
72.11663	0.3
79.05457	1.6
81.03432	0.5
81.07040	0.8
84.08143	1.4
85.02879	0.6
88.07642	0.3
90.96593	0.3
91.05473	3.6
93.07023	1.7
95.04964	0.4
95.08587	0.6
96.08128	0.7
97.02911	0.4
98.09695	0.3
105.07008	2.4
107.04923	0.9
107.08611	0.5
108.08098	3.3
110.09642	0.6
113.60083	0.3
115.05454	1.0
117.06990	1.9
119.04937	0.6
119.08564	1.2
120.08073	0.5
121.06503	1.0
122.09660	2.0
124.11234	0.8
127.03889	0.6
128.06210	0.7
129.06996	2.5
129.10266	0.4
131.08556	2.3
133.06534	0.6
133.10135	0.4
134.09619	0.4
135.08012	0.6
136.07567	0.6
137.05992	0.3
138.09140	0.4
140.10699	2.8
141.06938	1.9
142.07730	0.4
143.08540	2.1
145.06453	0.5
145.10106	0.8
147.08034	0.7
148.11188	0.3
152.10762	0.5
153.05800	0.3
153.06987	0.9
154.07765	0.4
154.12259	1.3
155.08527	2.3
157.06552	0.4
157.10115	0.8
158.09712	0.5
158.30345	0.4
159.08038	0.3
160.11151	0.4
163.14630	0.3
165.07037	1.2
166.07663	0.5
167.08504	2.0
169.10072	1.1
170.15381	0.5
172.11214	0.5
173.09695	0.5
174.12761	0.6
178.04967	0.7
178.07841	0.4
179.08533	1.6
181.10123	1.4
183.08043	0.5
183.11696	0.6
185.09657	0.4
191.08528	0.8
192.09332	0.6
193.10130	1.4
194.10851	0.4
195.08154	0.4
195.11679	1.1
197.09642	0.4
199.11136	0.3
203.08479	0.8
204.09348	0.7
205.10115	1.1
206.04474	0.8
206.10915	0.3
207.08168	0.3
207.11713	1.3
211.11137	0.4
216.09328	0.5
217.10249	0.5
219.11713	0.6
221.09781	0.3
221.13231	1.1
228.13977	0.5
233.13251	0.5
239.14316	0.4
249.12816	1.2
251.14433	0.4
267.13849	0.5
268.17010	0.4
284.16208	0.3
296.20120	0.3
306.18500	0.7
324.19604	0.4
328.19131	0.4
338.21191	0.8
356.18488	2.4
356.22189	1.2
366.20578	0.8
369.19312	0.3
384.21567	1.5
388.21030	1.1
398.23260	3.1
402.22543	0.4
416.24255	29.8
417.24704	1.5
434.25336	20.0
435.25638	1.5
462.24835	0.4
476.26157	1.8
494.27405	100.0
495.27707	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	494.3108
Annotation	Zygadenine
Peak:m/z	Relative Intensity
55.66336	0.4
56.05029	3.8
57.07076	2.1
58.06596	7.7
63.26869	0.4
64.78631	0.4
65.03925	0.4
67.05486	0.8
68.05020	0.4
69.98300	0.7
71.04981	0.7
72.08144	1.7
79.05486	1.6
81.07041	0.6
84.08126	0.8
86.09690	0.6
88.07626	0.6
91.05468	2.1
93.07037	1.2
95.04964	0.5
96.08119	1.3
98.09745	0.6
102.09164	1.1
105.07036	2.0
107.04948	0.9
107.08619	0.4
108.08099	5.2
109.06480	0.6
110.09720	0.9
114.09146	1.1
115.05406	0.8
117.07011	1.2
119.04950	0.7
119.08558	0.5
122.09647	2.2
123.04402	3.6
128.06247	0.7
129.07021	2.1
131.08562	2.8
133.10127	0.7
137.05971	0.5
138.09154	1.2
140.10687	4.0
140.16379	0.4
141.06967	1.7
143.08496	2.1
145.06456	1.0
145.10092	0.9
147.11594	0.5
148.11011	0.4
153.06892	0.8
154.07817	0.7
154.12274	1.7
155.08553	2.1
157.10123	1.0
159.08051	0.6
159.11578	0.4
159.80927	0.4
160.11272	0.6
165.07025	1.0
166.07671	0.5
167.08546	1.8
169.10135	1.4
172.11188	0.5
174.12776	0.9
178.07796	0.5
179.08507	0.9
181.10138	0.9
183.11739	0.6
185.09587	0.6
186.12854	0.9
187.11124	0.5
191.08507	0.7
193.10060	0.9
195.11746	0.5
200.14293	1.0
201.15201	0.7
203.08578	0.8
204.09329	0.6
205.10077	0.7
207.11720	1.3
212.14316	0.6
215.08560	0.6
216.09335	0.5
219.11736	0.9
220.08691	0.5
221.13300	0.6
241.94817	0.5
251.14319	0.5
294.18518	0.8
306.18588	0.6
306.43008	0.4
312.19504	1.9
314.17493	0.8
324.19592	2.4
342.20551	5.1
343.21066	0.5
356.22119	3.5
358.80316	0.4
374.23224	26.8
375.23425	0.9
392.24255	16.7
393.24448	0.7
416.20679	1.2
476.25888	1.9
476.29858	8.2
494.31424	100.0
495.31790	6.0
511.93784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3105
Annotation	Delbrusine
Peak:m/z	Relative Intensity
54.73553	0.4
54.99405	0.4
56.05019	1.7
58.06595	5.9
65.03915	0.4
67.05480	0.7
69.15411	2.6
71.04985	1.3
72.08141	3.1
75.04466	0.5
79.05479	0.9
80.04979	0.6
84.08115	1.1
85.02892	0.6
91.05483	1.8
93.07018	0.7
95.04960	0.5
97.04046	0.4
98.09688	0.8
102.09169	2.7
103.05405	0.4
105.07001	1.0
107.04955	0.9
108.08097	4.9
109.06481	0.5
115.05434	0.4
117.07007	1.0
121.06474	0.7
122.09641	2.6
124.11214	1.2
128.06239	0.6
128.10672	0.7
129.06966	2.1
131.08562	1.4
137.05946	0.6
141.06989	1.3
143.08545	1.4
152.10686	0.7
153.07008	0.7
154.12262	3.6
155.08559	1.6
157.10110	0.7
158.07278	0.4
161.09698	0.4
165.06990	1.0
167.08562	1.5
169.10149	1.3
174.12772	0.8
179.08524	1.4
180.09285	0.6
181.10092	0.8
186.12801	0.7
191.08611	0.5
193.10106	1.4
195.11723	0.9
198.12819	0.6
200.14357	0.8
203.08717	0.5
204.09190	0.4
205.10133	1.1
207.11668	0.8
209.13216	0.7
212.14395	0.5
216.09447	0.7
217.10092	0.6
221.13252	0.8
231.11615	0.5
247.70937	0.5
248.11780	0.4
251.14319	0.5
263.14224	0.6
310.17902	0.5
324.20407	0.4
370.23901	0.9
398.23434	2.6
402.22598	0.6
404.24179	1.4
412.24762	1.0
430.25742	4.2
444.27621	0.5
462.28445	11.9
463.29025	0.9
494.31055	100.0
495.31406	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	494.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.6
57.78684	0.4
58.06594	6.6
58.73265	0.4
67.30461	0.3
69.14543	2.5
70.06599	0.4
71.04983	1.2
72.08137	4.1
74.02915	0.4
75.04462	0.6
77.66403	0.4
79.05491	0.7
80.05008	0.5
81.07055	0.4
84.08138	1.3
85.02920	0.8
90.94228	0.4
91.05470	1.9
93.07046	1.0
93.39723	0.4
98.09707	1.0
102.09171	2.6
105.07014	1.2
107.04946	0.5
108.08105	5.1
114.53640	0.4
117.07023	1.1
119.04920	0.5
121.06483	1.0
122.09657	2.7
124.11244	2.3
128.06219	1.1
128.10699	0.8
129.07013	2.5
131.08531	1.0
134.09731	0.5
135.08099	0.6
137.06021	0.7
141.06998	1.6
143.08554	1.1
147.08061	0.6
152.10658	1.1
153.07068	0.5
154.07735	0.5
154.12228	4.2
155.08545	1.7
157.10133	0.8
160.64842	0.4
161.09593	0.5
165.06949	0.9
167.08524	2.0
169.10150	1.0
171.08118	0.4
174.12791	0.6
179.08557	1.5
181.10139	1.5
183.11752	0.6
184.11176	0.5
186.12776	0.7
187.11240	0.4
187.13402	0.4
191.08548	0.8
192.09315	0.7
193.10132	1.3
195.11626	0.8
200.14359	0.9
203.08508	0.6
204.09346	0.6
205.10100	1.1
207.11726	1.1
209.13326	0.5
212.14391	0.6
216.09407	0.5
217.10107	0.5
219.11774	0.7
221.13260	0.8
223.11179	0.6
231.11711	0.6
233.13361	0.7
249.12743	0.5
250.13069	0.4
263.14157	0.5
306.18491	0.7
312.19519	0.5
338.21060	0.8
366.20544	0.8
370.19775	0.6
370.23819	1.1
380.22272	0.6
388.24603	0.6
398.23190	2.5
402.22522	0.5
404.24274	1.8
412.24899	1.2
427.87140	0.4
430.25787	5.3
431.26138	0.7
444.27264	0.5
462.28418	13.7
463.28757	0.9
494.31061	100.0
495.31396	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	494.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68674	7.0
52.86848	6.9
55.05502	16.0
58.06589	12.0
67.05496	18.5
69.07059	11.2
70.06580	10.1
79.05461	9.9
81.07052	21.1
83.08604	16.8
86.09687	11.4
93.07042	22.2
95.08598	17.7
102.09173	7.4
104.10709	37.1
105.07057	7.8
107.08583	18.6
109.10146	10.1
121.10124	23.0
123.11687	9.0
135.11726	21.2
149.02293	23.2
184.07358	25.9
193.04932	22.2
205.19545	28.9
223.20569	33.5
237.07561	14.6
241.21581	14.9
297.24176	19.8
315.25278	16.3
354.14706	9.5
462.28717	9.0
494.30930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
54.95254	0.6
55.01867	1.1
55.05505	2.2
56.05030	6.1
57.03423	2.4
57.07064	0.8
58.06596	4.4
60.04517	83.0
61.02920	2.6
67.05495	9.2
68.05004	0.7
69.03421	7.9
69.07069	3.8
70.00451	1.2
70.00779	0.9
70.06574	1.8
71.04985	2.0
72.04504	2.8
72.08149	2.4
73.02898	1.4
74.06068	2.9
79.05477	5.9
80.05004	1.8
81.03397	3.4
81.07045	10.6
82.06569	2.3
83.04977	0.8
83.08615	1.9
83.23782	0.5
84.04517	1.2
84.08131	1.4
85.02894	20.3
85.06534	0.6
86.06053	1.7
87.04453	1.1
90.05540	1.0
91.03911	0.6
91.05465	4.8
93.07033	5.4
94.06559	2.1
94.28149	0.6
95.04951	2.1
95.08584	7.2
96.08134	1.7
97.02872	7.4
98.09673	1.0
99.04461	1.6
102.05531	1.6
102.09164	1.7
104.07098	1.8
105.07029	1.6
107.04930	1.4
107.08559	2.8
108.08118	3.5
109.02883	2.6
109.06537	0.9
109.10160	2.6
112.07581	1.2
115.05383	0.8
116.07105	0.6
117.06974	1.0
119.08564	1.7
120.08154	0.6
121.06477	0.7
121.10132	3.2
122.09644	1.3
123.11719	0.9
124.07605	0.6
124.11217	1.0
127.03884	4.7
128.06148	0.8
129.07001	1.2
131.08571	2.0
132.08139	0.6
133.10135	1.2
135.07993	0.6
135.11690	1.2
137.05949	1.0
141.06935	1.1
143.08543	1.3
145.04903	1.2
145.10098	1.1
147.11673	1.0
149.13264	0.6
152.10686	0.7
153.12816	0.6
154.12271	3.2
155.08565	1.8
165.07004	2.0
179.08516	0.7
181.10164	1.1
186.12801	0.6
188.08984	0.6
193.10025	0.8
195.06407	0.7
195.11855	0.8
197.09578	0.7
200.14429	0.7
201.89354	0.8
205.10094	0.8
206.10342	0.8
217.10027	0.7
224.11345	2.4
233.13173	0.7
248.23610	0.9
260.23792	2.2
266.24765	0.7
278.24686	5.8
296.25803	8.2
314.26816	13.9
332.27896	100.0
333.28140	4.5
356.27707	0.8
374.28937	2.5
398.23016	2.0
412.24890	0.6
430.25952	3.2
440.29944	2.1
458.31177	1.5
462.28387	9.0
463.28598	1.2
474.42642	0.7
476.32339	4.5
494.31711	84.0
495.31732	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	495.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.05493	0.7
66.59505	0.4
67.05471	1.4
67.15599	0.4
69.07056	0.5
79.05457	1.3
81.03404	1.1
81.07017	1.2
85.02882	0.5
91.05454	1.4
93.07031	0.9
95.08578	0.7
97.06506	0.4
104.57505	0.4
105.07000	0.8
109.10091	0.6
127.67857	0.4
133.10071	0.6
185.04195	1.2
193.12196	0.7
199.06136	0.5
211.13280	0.8
263.12720	0.5
270.81262	0.5
302.60553	0.4
310.12057	0.4
333.20291	100.0
334.20715	4.7
396.82782	0.4
463.28851	0.5
495.25504	83.2
496.25598	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	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.2
53.85078	0.9
55.01869	4.8
55.05252	2.0
55.05505	24.3
57.03432	14.6
58.06585	1.5
59.05006	1.7
59.47065	1.1
65.03926	2.4
65.87596	1.1
67.05495	32.0
69.03423	5.8
69.07059	7.3
70.05947	1.0
71.04994	7.8
71.44922	1.2
74.79597	1.0
77.03885	1.1
77.05275	1.0
79.05480	37.8
79.05943	1.9
81.03406	79.2
81.07043	38.5
82.07420	1.2
83.04970	18.1
83.08608	28.8
83.09090	1.9
85.02893	43.1
85.06525	2.2
91.05470	48.3
91.06052	2.6
93.07031	24.3
95.04958	37.7
95.08589	15.7
97.02889	3.6
97.06518	5.8
97.10180	3.7
99.08076	1.7
103.05524	1.0
105.04503	2.0
105.07014	34.4
107.04945	6.8
107.08566	7.7
109.06513	6.2
109.10120	6.2
110.87335	1.1
111.04452	3.3
111.08064	18.3
113.06004	4.7
115.05458	2.9
117.07011	1.7
119.08560	26.8
121.06511	1.4
121.10128	10.7
123.08063	3.4
123.11715	2.3
125.09618	3.0
129.06979	14.0
131.08549	16.7
133.06485	3.5
133.10107	11.9
135.11691	1.3
137.09570	2.2
137.37390	1.1
142.07762	3.6
145.10107	1.6
147.08060	2.8
147.11662	22.8
149.09644	6.4
151.11165	1.4
157.10115	16.8
157.11371	1.5
165.12735	3.4
165.14890	1.0
175.11180	19.8
188.37154	1.0
193.12212	91.4
194.12553	1.8
211.13264	100.0
212.13579	2.3
249.72627	1.1
267.15863	4.1
285.16983	4.6
299.12274	1.3
459.27328	2.1
463.28513	1.5
477.28516	3.0
495.29526	70.6
496.29834	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	496.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
56.05038	2.7
56.70832	1.2
57.03426	3.7
58.06586	2.6
60.04520	28.3
61.04847	3.5
65.68011	1.2
67.05502	2.8
69.03437	3.3
69.07059	2.2
69.49426	3.9
69.49848	2.2
73.02914	3.6
73.08512	1.5
79.05489	1.9
81.07046	4.6
85.02900	7.5
86.03187	1.2
91.05465	3.0
93.07034	3.1
95.04937	1.4
95.08613	3.3
97.02897	2.5
98.22712	2.5
105.03381	4.6
107.08559	1.4
108.08140	2.1
109.02860	1.6
120.04440	4.4
127.03938	2.6
129.06972	1.6
132.04448	22.2
132.05418	0.9
133.02835	2.8
142.38248	1.3
146.32857	1.1
155.08661	1.3
156.04439	2.5
163.07538	1.5
167.08589	1.9
171.05592	1.6
172.03905	20.1
187.04945	7.0
198.06712	2.4
204.08972	1.8
275.08096	4.6
296.25473	1.7
300.07672	3.9
301.08429	23.6
301.11755	1.8
302.09125	4.0
314.26779	2.7
315.27203	2.9
318.08762	8.8
332.27856	10.0
333.28226	22.9
333.31793	1.6
334.28500	5.6
346.08163	100.0
347.08603	4.5
364.09225	35.3
365.09601	2.3
441.09521	1.4
463.28882	2.2
495.31998	24.8
496.31039	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	496.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40751	0.3
57.03431	0.5
63.90294	0.2
65.03938	1.5
67.05484	0.9
69.03427	1.4
69.10948	1.9
81.03405	0.3
85.02901	2.7
87.04443	0.5
95.04957	14.7
96.04506	0.5
97.02872	1.8
98.03625	0.3
108.02082	1.4
109.02854	0.4
110.03631	0.7
110.93356	0.3
111.04407	0.3
115.03910	0.5
123.03516	0.3
123.04414	6.9
124.03941	4.8
124.04745	0.2
127.03893	0.6
133.04967	0.7
141.05450	4.3
145.04942	0.7
151.03883	100.0
152.03394	61.7
152.05951	0.4
153.03746	1.1
166.04987	0.3
169.04988	0.4
178.01353	1.7
184.06017	8.9
194.04491	0.5
208.23085	0.3
242.04393	0.5
270.03922	0.8
302.06540	26.6
303.06824	1.0
314.08737	1.1
334.09100	4.4
346.11273	3.6
402.51727	0.3
412.51572	0.3
442.26382	0.2
464.11646	0.4
496.28168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
53.03933	0.4
55.01846	0.3
57.03418	0.6
58.06589	0.4
60.04507	0.2
65.03938	2.0
67.05499	3.6
69.03416	0.8
69.27271	0.6
70.06585	0.2
73.02902	0.3
76.32172	0.1
77.03923	0.7
79.05516	0.2
81.03402	0.5
81.07044	0.5
85.02884	1.0
87.04463	0.3
91.05470	0.4
91.44383	0.2
93.03391	0.4
93.07033	0.3
95.04958	3.4
95.08601	0.3
96.04530	0.2
97.02888	1.0
98.22712	0.4
105.03384	2.5
105.04477	1.0
105.07011	0.5
107.04938	0.2
108.02088	3.8
111.04439	1.7
115.03916	0.5
120.21919	0.1
121.03961	0.8
123.04427	0.4
123.08022	0.2
124.03944	1.2
125.01530	1.6
126.03117	0.5
127.03921	0.3
131.08594	0.3
133.04958	0.4
133.10173	0.2
134.09677	0.2
136.01527	1.4
139.03015	0.2
145.04944	0.4
145.10037	0.3
151.03888	100.0
152.03369	15.4
153.03749	0.3
154.02597	3.1
155.14299	0.4
167.06216	0.7
167.08479	0.4
169.05006	0.3
178.01340	1.5
184.05998	1.8
194.04486	0.4
226.07082	0.3
250.16022	0.2
274.07016	0.2
278.19122	0.3
287.04242	0.4
296.20020	0.4
302.06546	21.3
303.06842	0.6
310.08981	0.2
314.08521	0.4
334.09149	3.2
346.11401	1.0
399.30054	0.2
404.22141	0.6
464.11523	0.7
478.25854	1.4
495.31573	0.9
496.15164	0.2
496.26724	4.0
497.26865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01872	1.7
56.05027	1.0
56.35806	0.7
57.03421	1.9
58.06570	2.3
61.02912	2.8
66.14502	0.7
66.65590	0.6
69.03421	6.5
71.04983	1.3
73.02876	0.7
81.03412	6.2
85.02895	20.8
87.04440	1.0
91.03925	1.4
97.02897	6.5
99.04428	1.2
105.06964	0.7
107.01296	1.9
108.08091	1.1
109.02877	4.6
111.04436	2.0
127.03894	5.4
131.08374	0.7
137.02319	77.0
138.02686	1.1
138.05502	7.6
145.04932	3.1
149.05957	0.8
154.12242	0.7
165.09047	0.7
166.04976	100.0
192.02908	3.5
198.07593	40.1
198.84508	0.6
199.07846	0.8
302.06543	59.8
303.06924	2.3
312.64755	0.6
334.09180	10.6
344.17337	0.7
431.26160	1.4
463.28812	2.8
464.28799	0.9
495.31415	18.0
496.31989	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	496.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
52.03163	0.3
52.33549	0.2
55.01857	0.4
55.05483	0.3
58.06606	0.4
65.03930	1.9
67.05504	1.4
69.03419	1.0
71.04987	0.4
71.08609	0.7
79.05492	0.3
80.02626	0.3
81.03404	1.3
81.07012	0.7
85.02885	4.2
91.05482	0.4
93.07024	0.5
95.04954	18.4
95.08584	0.4
96.04476	0.7
96.05330	0.3
97.02890	2.3
97.06490	0.3
98.21861	0.3
98.22641	0.3
99.04448	1.5
99.08078	1.5
103.03932	2.8
105.03355	1.7
105.06966	0.3
108.02071	1.7
109.02885	0.8
109.10156	0.5
110.03661	0.6
111.04443	0.3
119.08582	0.4
122.02372	0.3
123.04412	7.7
124.03935	6.1
127.03907	3.4
134.09575	0.3
141.05447	5.3
145.04947	2.1
151.03880	100.0
152.03391	77.7
153.03726	1.5
163.06004	1.9
164.03406	0.8
166.04968	1.0
169.04927	0.8
173.15332	0.6
178.01344	2.2
184.06015	8.9
191.99156	0.3
194.04465	1.4
218.04500	0.3
226.07080	0.7
230.04587	0.4
242.04469	1.5
258.07999	0.3
260.05533	0.5
270.03867	0.9
274.07028	1.0
295.08102	0.4
302.06540	36.5
303.06802	0.9
306.09412	0.3
307.10223	0.5
310.09164	0.5
314.08646	6.5
315.41281	0.4
334.08981	0.6
346.11295	3.1
464.11841	6.1
464.27649	0.3
466.04486	0.3
478.25797	0.3
495.31042	0.8
496.22141	0.4
496.30121	1.6
512.14648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01858	0.6
56.05024	2.7
57.05343	0.6
58.06327	0.9
58.06592	10.4
59.06923	1.6
67.05504	1.4
69.03416	1.0
71.04979	1.8
71.45477	0.6
72.08140	4.8
73.08486	1.1
75.04508	0.7
79.05478	1.7
81.03411	4.8
81.07045	1.3
84.08137	1.5
85.02900	4.3
85.06544	0.8
91.05457	3.4
92.05819	0.9
93.07040	1.7
94.07374	0.7
94.62188	0.5
95.04959	1.1
97.02888	1.3
98.09655	1.0
102.09164	3.8
105.03383	1.5
105.07037	1.1
107.04932	0.7
108.08109	5.5
109.02875	2.2
109.06498	0.9
109.08446	2.2
111.04467	0.7
117.07024	1.3
118.07361	0.7
122.09650	2.3
123.08080	0.6
123.09957	1.1
124.11216	1.8
125.11590	0.9
127.03894	3.5
128.06252	0.8
129.06999	1.8
130.07332	1.3
131.08542	1.3
132.08914	1.1
135.09941	0.6
137.02318	48.7
137.05917	0.9
138.02693	0.9
138.05466	3.1
141.06996	2.1
142.07365	1.1
143.08553	1.3
144.08896	1.1
145.04945	0.9
149.13226	0.6
151.03908	0.5
152.10704	1.2
153.06966	0.7
154.12288	3.5
155.03352	2.6
155.08511	1.8
155.12613	1.9
156.08923	1.6
157.10066	0.6
159.11656	0.6
161.09688	0.5
165.06963	0.9
166.04970	35.3
167.05429	0.8
167.08521	1.2
167.14337	1.3
168.08911	1.1
169.10022	1.0
170.10393	0.6
173.09518	0.6
179.08400	1.5
180.08946	1.1
181.10103	1.5
182.10352	0.7
183.11713	0.6
186.12506	0.7
187.11400	0.7
187.13205	0.6
189.14729	0.7
192.02921	1.0
192.09131	1.1
193.10066	1.3
194.10524	1.0
195.11665	0.9
196.11967	0.6
196.90085	0.6
198.07620	8.8
198.13441	0.6
200.14316	1.0
203.08394	0.5
204.08878	0.7
205.09879	0.7
206.10492	1.5
209.09456	0.6
212.14270	0.8
214.00584	0.6
216.09143	0.7
217.09933	0.6
218.10490	0.8
220.11967	0.7
221.13199	0.9
223.11133	0.8
232.12070	0.7
250.13016	0.8
266.15692	0.6
287.04343	0.6
290.54648	0.7
302.06537	36.3
303.06900	1.2
327.21219	0.8
334.09134	4.6
339.21695	1.1
371.24084	0.8
387.23145	0.5
389.24832	0.6
398.23071	0.8
399.23386	3.2
400.23749	0.7
404.24152	0.7
405.24457	1.1
407.26056	0.7
413.25278	0.9
430.25534	0.6
431.26294	5.3
432.26294	2.4
445.27872	0.9
463.28763	13.4
464.11713	0.7
464.29074	6.0
495.31378	100.0
496.31750	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	496.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01858	0.6
56.05024	2.7
57.05343	0.6
58.06327	0.9
58.06592	10.4
59.06923	1.6
67.05504	1.4
69.03416	1.0
71.04979	1.8
71.45477	0.6
72.08140	4.8
73.08486	1.1
75.04508	0.7
79.05478	1.7
81.03411	4.8
81.07045	1.3
84.08137	1.5
85.02900	4.3
85.06544	0.8
91.05457	3.4
92.05819	0.9
93.07040	1.7
94.07374	0.7
94.62188	0.5
95.04959	1.1
97.02888	1.3
98.09655	1.0
102.09164	3.8
105.03383	1.5
105.07037	1.1
107.04932	0.7
108.08109	5.5
109.02875	2.2
109.06498	0.9
109.08446	2.2
111.04467	0.7
117.07024	1.3
118.07361	0.7
122.09650	2.3
123.08080	0.6
123.09957	1.1
124.11216	1.8
125.11590	0.9
127.03894	3.5
128.06252	0.8
129.06999	1.8
130.07332	1.3
131.08542	1.3
132.08914	1.1
135.09941	0.6
137.02318	48.7
137.05917	0.9
138.02693	0.9
138.05466	3.1
141.06996	2.1
142.07365	1.1
143.08553	1.3
144.08896	1.1
145.04945	0.9
149.13226	0.6
151.03908	0.5
152.10704	1.2
153.06966	0.7
154.12288	3.5
155.03352	2.6
155.08511	1.8
155.12613	1.9
156.08923	1.6
157.10066	0.6
159.11656	0.6
161.09688	0.5
165.06963	0.9
166.04970	35.3
167.05429	0.8
167.08521	1.2
167.14337	1.3
168.08911	1.1
169.10022	1.0
170.10393	0.6
173.09518	0.6
179.08400	1.5
180.08946	1.1
181.10103	1.5
182.10352	0.7
183.11713	0.6
186.12506	0.7
187.11400	0.7
187.13205	0.6
189.14729	0.7
192.02921	1.0
192.09131	1.1
193.10066	1.3
194.10524	1.0
195.11665	0.9
196.11967	0.6
196.90085	0.6
198.07620	8.8
198.13441	0.6
200.14316	1.0
203.08394	0.5
204.08878	0.7
205.09879	0.7
206.10492	1.5
209.09456	0.6
212.14270	0.8
214.00584	0.6
216.09143	0.7
217.09933	0.6
218.10490	0.8
220.11967	0.7
221.13199	0.9
223.11133	0.8
232.12070	0.7
250.13016	0.8
266.15692	0.6
287.04343	0.6
290.54648	0.7
302.06537	36.3
303.06900	1.2
327.21219	0.8
334.09134	4.6
339.21695	1.1
371.24084	0.8
387.23145	0.5
389.24832	0.6
398.23071	0.8
399.23386	3.2
400.23749	0.7
404.24152	0.7
405.24457	1.1
407.26056	0.7
413.25278	0.9
430.25534	0.6
431.26294	5.3
432.26294	2.4
445.27872	0.9
463.28763	13.4
464.11713	0.7
464.29074	6.0
495.31378	100.0
496.31750	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	496.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
56.05028	3.9
58.06598	9.1
61.02924	1.5
67.05482	1.2
67.90720	0.7
69.03423	3.1
70.06580	3.4
71.04988	2.5
71.90610	0.8
72.08157	1.6
75.04439	1.1
79.05502	2.2
81.03413	4.9
81.07046	1.4
85.02895	6.5
87.04421	0.8
91.05475	2.5
93.07033	3.2
95.05006	0.8
97.02879	3.2
98.09710	0.8
98.54550	0.8
99.65633	0.8
102.09181	1.0
105.07018	1.7
105.26890	0.8
107.08595	1.6
108.08112	4.8
109.02881	2.2
112.07578	2.0
115.03841	0.9
117.07027	0.9
121.10088	1.1
122.09657	2.3
124.11243	1.0
127.03936	3.4
129.07007	1.6
131.08569	2.6
135.11636	1.6
137.02318	38.7
137.09584	0.8
138.05499	1.7
140.07080	1.2
141.07014	1.0
143.08618	1.4
145.04893	1.2
147.08096	1.0
154.12236	2.4
155.08542	2.2
157.10182	1.0
166.04979	36.5
167.08524	1.4
169.03722	2.8
169.10098	1.4
171.76717	0.8
173.32777	0.8
179.08566	1.2
181.10091	1.7
183.11433	0.9
191.08676	1.1
192.02881	4.3
198.07684	4.2
207.11713	0.8
209.84607	0.9
247.11195	1.1
287.04233	1.3
289.05356	3.8
290.05783	1.9
293.15509	1.0
302.06549	44.0
334.09299	1.5
344.22321	1.7
376.24673	1.6
404.24222	1.7
414.72745	0.9
418.22177	1.3
436.26917	6.1
446.25516	2.4
478.27966	15.6
495.27466	1.1
496.19028	7.3
496.29013	100.0
497.29163	5.6
522.89862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40898	0.6
53.03932	1.0
55.01853	1.4
57.03420	1.8
61.02919	3.6
69.03415	6.8
71.34761	0.7
73.02895	1.2
73.67397	0.6
81.03405	3.5
84.08112	0.6
85.02889	35.4
87.77722	0.5
91.03925	1.6
91.04871	0.7
91.05463	13.9
97.02870	10.0
98.97571	0.6
99.04455	1.4
109.02829	2.6
119.04929	9.6
120.05302	0.5
127.03885	7.2
129.06952	0.7
133.06441	1.1
137.05952	100.0
138.06277	2.3
143.04982	0.6
145.04927	11.2
149.05968	1.3
151.07516	1.8
155.06998	13.3
157.06464	1.0
161.05939	1.9
163.05991	5.0
165.05490	1.3
167.06996	1.6
175.07558	1.5
179.07043	3.9
185.05904	0.7
189.05423	0.6
191.07040	1.0
203.06987	2.7
211.20383	0.5
217.08594	1.0
221.08005	2.7
233.08029	0.6
245.08028	2.0
251.09224	1.0
263.09103	5.2
281.10129	2.6
299.11139	1.1
302.06879	0.7
317.12302	0.7
357.19543	0.6
398.03098	0.6
460.18384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01850	1.3
57.03418	2.1
61.02920	3.1
69.03410	6.0
70.38714	1.0
70.39044	0.6
71.04970	0.7
73.02918	1.0
77.75995	0.5
81.03398	3.1
82.41505	0.5
85.02888	31.7
87.04437	0.7
91.03949	1.2
91.05466	11.3
97.02870	7.9
97.75227	0.6
99.04418	1.4
102.39889	0.5
109.02846	2.9
109.06501	0.6
109.08759	0.5
119.04908	7.6
127.03900	7.0
137.05949	100.0
138.06290	1.4
145.04927	10.5
149.05931	1.1
151.07541	2.4
155.05823	1.1
155.07014	16.4
157.06487	1.1
161.05908	1.4
163.05995	6.4
165.05365	1.2
167.07040	1.1
175.07501	0.9
179.07001	6.0
191.07018	0.7
203.07019	3.4
217.08791	0.6
221.08038	3.4
222.25787	0.5
227.06970	0.8
233.08038	1.1
245.08003	2.5
251.09239	1.1
261.64340	0.6
263.09119	6.2
281.10193	4.6
299.11133	1.3
317.12381	1.3
325.11276	0.8
441.37180	0.7
462.99786	0.6
466.26245	0.6
503.38986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.29
Annotation	Talitine A
Peak:m/z	Relative Intensity
56.05038	1.1
58.06592	13.2
65.02622	0.5
67.05479	0.6
68.05022	1.2
69.03410	1.4
69.44968	2.0
70.06601	0.7
71.04990	1.1
72.08138	1.8
75.04485	0.5
79.05482	1.9
80.05018	0.5
81.03413	1.5
84.08134	2.0
85.02896	2.2
86.09703	1.2
88.07645	0.6
91.05462	2.6
93.07030	1.5
95.04957	1.0
96.08119	3.0
97.02937	0.5
98.09663	0.7
98.23484	0.6
99.04430	0.5
102.09176	0.7
103.05449	0.5
105.07017	1.8
107.04935	4.5
107.08607	0.7
108.08097	4.0
109.06490	1.1
109.60130	0.5
110.09680	0.9
111.04452	0.5
112.07588	0.7
115.05460	1.1
117.07037	1.3
119.04929	1.2
119.08611	0.7
121.06486	1.3
122.09657	1.3
126.09132	0.5
127.03874	0.9
128.06223	1.0
129.07001	2.1
131.04855	0.6
131.08548	1.9
133.06511	0.6
135.08023	1.2
137.02312	6.7
137.05959	1.4
138.09131	1.0
140.10667	0.9
141.06960	1.1
142.07744	0.5
143.08537	1.6
145.06491	2.4
146.09601	0.5
147.08009	1.0
151.02710	0.6
152.06107	0.5
153.06938	0.5
155.08618	1.6
158.09648	0.7
159.08051	1.1
160.11177	0.9
161.06038	0.6
165.06956	1.2
166.04968	5.1
166.07785	0.6
167.08557	1.2
169.03711	1.2
169.10107	0.6
171.07997	0.7
172.11229	1.0
178.07776	0.9
179.08578	1.5
181.06470	0.5
181.10153	1.3
183.07925	0.5
184.11211	1.0
185.09550	0.7
191.08565	0.8
192.02859	0.6
193.10149	1.9
195.08029	0.8
196.09068	0.5
197.09709	0.8
203.08565	1.1
204.09189	0.6
205.10110	1.3
207.11690	0.9
209.09610	1.0
211.11234	0.6
217.10117	0.7
219.11710	1.3
221.09700	0.9
223.11299	1.1
225.84451	0.5
231.11867	0.6
235.11133	1.0
237.12798	1.0
247.11098	1.1
249.12825	0.8
251.10570	0.6
260.14435	0.5
265.12305	0.7
275.05988	1.6
286.15808	0.7
302.06543	6.6
304.17157	0.7
328.19028	0.7
336.19733	0.8
354.20813	1.1
368.22104	0.6
372.21677	1.4
386.23062	1.5
388.20929	1.2
389.75180	0.5
396.21643	1.3
404.24213	3.3
409.11703	3.8
414.22717	2.6
428.24240	0.8
432.23904	1.6
436.26883	1.8
446.25409	4.6
460.26712	0.8
464.11816	0.8
464.26318	7.9
478.28012	10.8
479.28781	0.6
496.28958	100.0
497.29276	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	496.2898
Annotation	Talitine A
Peak:m/z	Relative Intensity
56.05026	0.8
58.06589	5.3
58.35381	0.3
60.76113	0.4
70.81485	0.5
71.04993	0.6
72.08141	0.5
75.04462	0.8
79.05495	0.8
84.08144	1.3
85.02890	0.8
86.11981	0.3
91.05456	2.4
93.07028	1.1
95.04944	0.5
96.08118	0.5
102.09200	1.0
103.05519	0.3
105.07031	1.3
107.04951	0.8
108.08117	1.7
109.06491	0.8
112.07616	0.6
115.05448	0.8
117.06988	1.0
119.04933	0.4
121.06507	0.7
122.09680	0.9
128.06186	0.5
129.06996	1.9
131.08560	1.1
135.08022	0.4
137.05997	0.8
141.06995	1.3
143.08549	1.1
145.06474	0.9
146.09619	0.6
147.08020	0.4
152.10712	1.5
153.06987	0.9
155.08562	1.4
158.09703	0.7
159.08107	0.8
165.06992	1.1
166.07805	0.3
167.07349	0.4
167.08580	1.5
169.10109	0.6
171.08086	0.6
172.11215	1.3
173.09685	0.4
178.07828	0.4
179.08597	1.2
181.02513	0.4
181.10127	0.3
184.11125	0.8
185.09599	0.5
185.11972	0.4
185.20988	0.3
191.08588	0.9
193.10217	0.9
195.07996	0.7
195.11792	0.5
197.09570	0.7
198.12747	0.6
202.12285	0.5
203.08580	0.8
204.09355	0.7
205.10133	0.6
207.11650	0.8
210.12868	0.5
211.13504	0.5
217.10107	0.5
219.11662	1.2
223.11275	0.7
229.10164	0.7
231.11728	0.5
237.12849	0.4
247.11063	0.6
249.12759	0.6
256.79248	0.4
279.13605	0.4
305.04657	0.3
308.16202	0.4
336.19785	0.5
354.20688	0.4
360.21246	0.4
368.22238	0.6
370.20306	0.6
388.21088	3.7
396.21826	0.8
402.22626	1.1
414.22672	1.1
420.23895	0.5
428.24301	2.2
432.23761	1.3
446.25122	2.1
460.27164	4.2
461.27167	0.4
464.26340	2.5
478.28284	4.3
496.29004	100.0
497.29343	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	496.2899
Annotation	6-O-Acetyl-14-O-methyldelphinifoline
Peak:m/z	Relative Intensity
52.84479	0.4
53.20884	0.6
56.05025	0.7
58.06588	5.6
63.76748	0.4
67.05489	0.5
71.04982	1.2
72.08139	1.0
79.05479	1.4
81.03423	0.6
84.08130	0.6
86.82976	0.4
91.05471	3.2
93.07024	0.9
95.04964	1.5
98.09616	0.7
105.07023	1.6
107.04976	1.0
108.08099	1.5
109.79221	0.4
117.06998	2.7
119.04919	0.5
119.08543	0.7
121.06535	1.0
122.09635	0.8
123.04409	0.8
123.08028	0.7
124.11198	0.6
128.06201	1.1
129.06982	2.5
131.08536	2.2
137.05959	0.7
141.06995	1.7
143.08537	2.2
145.10115	0.6
147.04352	0.7
147.08023	0.9
153.06992	0.7
154.07686	0.6
154.12274	1.2
155.08519	2.4
157.10132	1.0
159.08049	0.8
160.11261	0.4
165.06973	1.4
166.07703	0.5
167.08554	1.3
169.06398	0.5
169.10219	0.5
171.07927	0.5
173.37494	0.5
178.07751	0.9
179.08539	1.8
180.09184	0.5
181.06403	0.5
181.10097	1.7
183.08173	0.5
183.11725	0.6
191.08487	0.9
192.09279	0.5
193.10120	1.4
200.14307	4.3
201.09187	0.6
203.08528	0.8
205.10098	0.9
221.13191	1.4
231.11574	0.9
235.11195	0.7
237.12651	0.7
245.17755	2.2
247.11081	0.5
249.12761	1.6
265.12256	0.9
267.13751	0.9
295.13217	0.6
312.19852	0.6
316.19083	0.6
326.21179	1.3
327.15869	0.6
344.18411	0.7
344.22098	4.5
354.20453	3.0
358.23715	1.7
372.21762	2.2
376.20288	0.7
376.24777	10.1
386.23251	1.3
404.24286	10.4
418.25906	0.6
436.26874	31.0
437.27213	3.1
460.26755	0.6
464.26178	0.5
496.28964	100.0
497.29294	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	496.2901
Annotation	Talitine A
Peak:m/z	Relative Intensity
56.05032	3.9
57.18554	0.4
58.06332	0.6
58.06594	8.6
58.35630	0.4
67.05512	0.4
69.12225	1.6
69.12646	1.4
71.04982	1.1
72.08146	1.2
73.27271	0.3
79.05486	1.0
80.04990	0.4
84.08125	0.6
86.98045	0.4
91.05471	1.8
93.07028	0.5
95.04951	0.9
98.23428	0.9
102.09173	0.8
105.07008	1.2
107.04876	0.4
108.08099	4.8
109.06464	0.6
117.06986	1.0
118.57764	0.4
119.88567	0.4
121.06517	0.6
122.09657	2.3
123.04381	0.5
124.11224	1.4
127.03912	0.5
128.06194	1.0
129.06998	1.6
131.08563	1.4
141.06952	1.6
143.08578	0.9
152.10690	0.7
153.06984	0.8
154.07661	0.5
154.12248	3.0
155.08545	1.9
157.10062	0.6
158.07263	0.4
165.06853	1.0
167.08569	1.0
178.07722	0.6
179.08467	1.0
181.10153	0.7
181.26343	0.4
183.08044	0.5
187.11348	0.6
191.08534	1.0
192.09399	0.5
193.10159	1.0
195.11800	0.6
202.07703	0.6
203.08624	1.0
204.09421	0.7
205.10155	1.0
207.11626	0.6
209.13205	0.5
211.11293	0.6
214.15959	0.4
215.08673	0.5
219.11656	1.3
221.09697	0.5
221.13168	0.6
231.11772	0.7
233.13300	0.5
247.11194	0.7
249.12607	0.6
279.13785	0.4
297.15067	0.4
354.20670	0.6
376.25021	0.5
382.19550	0.5
400.20676	0.5
414.22723	1.0
418.21780	1.0
428.24197	0.8
436.27106	0.7
446.25259	2.1
450.24936	0.5
478.27945	16.4
478.34885	0.9
479.28256	1.0
496.28973	100.0
497.29288	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	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
56.64446	0.1
57.03432	0.2
57.07071	0.8
58.06623	0.6
60.08157	6.3
65.92654	0.1
67.05498	0.3
69.07069	0.2
69.47197	0.1
69.75256	0.3
71.07365	3.0
71.08628	0.4
81.07037	0.3
83.08643	0.1
85.10159	0.2
86.09697	31.0
87.10004	0.2
89.05998	0.2
95.08618	0.3
98.98453	3.2
98.99088	0.2
104.10731	3.0
109.10123	0.1
122.20360	0.1
124.99989	21.5
143.00990	0.3
158.23300	0.1
184.07320	100.0
185.07802	0.8
258.10986	0.2
313.27313	0.3
478.32715	0.9
496.34238	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3391
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05483	0.3
56.05027	1.5
57.03427	0.7
57.07072	2.7
58.06570	1.4
59.07373	0.4
60.08154	16.6
67.05489	0.4
69.07050	0.6
69.79787	0.7
70.06555	0.2
70.47782	0.2
71.07364	6.3
71.08617	1.7
76.64075	0.2
81.07053	0.6
83.08614	0.7
85.10168	0.7
86.09691	49.4
87.10037	0.3
95.08595	1.0
97.10203	0.3
98.98454	3.4
104.10725	100.0
105.11068	0.9
109.10131	0.4
124.99982	26.5
137.68735	0.3
163.01535	0.5
168.51382	0.3
180.03781	0.3
181.02533	0.3
184.07309	98.3
185.07637	0.9
195.32083	0.3
240.09642	0.3
258.11005	1.3
261.29800	0.3
313.27353	1.6
419.25684	0.5
478.32846	8.9
478.63199	0.3
496.33893	27.3
497.34250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03936	0.5
53.03947	0.6
55.01865	39.0
55.05499	2.4
65.03912	0.5
67.05154	0.8
67.05497	15.8
67.05859	0.8
68.05022	33.1
68.90323	0.4
69.03429	0.5
69.05788	1.7
69.07061	3.6
69.83663	1.4
70.06583	4.4
70.07487	0.4
71.04975	0.7
79.05029	0.8
79.05479	10.8
80.05009	5.2
81.03431	0.5
81.07046	10.7
82.06568	4.9
83.04948	1.1
91.05464	4.1
92.04992	0.7
93.05765	2.2
93.06516	0.4
93.07020	3.5
93.07504	0.6
94.06557	6.4
95.04957	2.9
95.07328	3.2
95.08588	2.0
96.04465	1.5
96.08121	4.5
97.06518	11.1
98.09676	5.5
99.08083	0.8
100.45741	0.5
104.05034	0.5
105.04487	0.7
105.05733	0.8
105.07012	2.9
106.06541	17.4
107.04968	1.3
107.07346	0.6
107.08580	2.3
108.08112	10.4
109.06501	1.8
109.10149	6.5
117.05759	0.8
117.07001	1.3
118.06519	5.5
119.07310	1.1
119.08598	1.4
120.04456	2.6
120.08073	6.3
121.06516	1.1
121.08854	1.4
121.10071	0.6
122.06012	100.0
123.06361	0.7
124.07576	18.9
126.05434	0.6
130.06520	1.2
131.08551	1.1
132.08084	1.7
133.08856	1.6
133.10031	1.2
134.06055	2.9
134.09645	5.1
135.06799	1.1
135.08000	1.6
136.07558	26.6
136.11174	1.5
137.07877	0.6
137.09622	0.7
140.43584	0.6
141.25829	0.6
144.08032	0.7
145.10112	0.6
146.09583	1.4
147.10434	0.9
147.11626	0.7
148.07562	1.9
148.11174	3.3
150.12750	0.6
152.07051	5.6
153.07817	5.8
159.11676	0.8
174.09128	0.6
176.14320	49.4
177.14624	0.8
186.12741	0.8
194.15306	0.9
204.13805	50.1
205.14185	1.2
222.14857	94.7
223.15254	2.2
257.18933	0.6
275.20096	4.8
313.04208	0.6
376.52634	0.5
496.34152	43.6
497.34412	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	496.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42159	0.3
55.01841	0.5
55.05474	1.5
57.03430	6.7
57.95099	0.3
58.06594	30.0
59.07373	10.1
60.08157	9.7
65.03915	0.4
67.05494	4.0
69.07024	1.3
69.97336	0.7
73.02890	1.1
73.49856	0.4
75.04469	3.8
79.05484	3.1
81.07061	3.2
83.08590	0.4
84.08117	0.6
85.02904	2.1
85.03318	0.4
87.04455	4.7
91.05470	1.8
93.05479	0.3
93.07030	3.0
95.04935	0.7
95.08602	2.0
97.06503	0.7
102.05502	0.5
103.03900	0.7
105.05473	0.8
105.06988	1.0
107.08567	1.0
107.50117	0.4
109.10126	0.5
117.75893	0.3
121.10101	0.7
131.07030	2.6
131.08533	0.5
134.15845	0.4
137.91425	0.3
144.10172	7.7
158.15373	0.3
159.06543	0.4
162.11218	4.4
200.12761	0.5
218.13896	0.7
236.14890	100.0
237.15253	1.5
322.19159	0.3
359.09525	0.4
417.14624	0.4
434.36414	0.8
464.93146	0.4
478.35214	24.1
479.35559	0.8
496.36258	67.9
497.36682	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	496.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93904	4.1
55.05507	18.1
57.03438	7.7
57.07076	14.0
62.25413	4.3
67.05500	100.0
69.07050	7.8
71.08619	8.0
74.53469	4.2
79.05476	33.6
81.07050	37.2
83.08604	11.2
89.06038	18.9
91.05468	21.9
93.07036	39.5
95.08574	22.7
98.23478	12.4
105.07046	6.2
107.08588	15.4
109.10139	66.7
119.08553	6.2
121.10122	12.8
125.00055	4.9
131.08580	10.0
133.08604	9.7
133.10170	8.7
135.11684	13.3
145.10088	6.0
149.13312	5.2
155.10677	5.6
173.11734	20.6
212.23657	29.4
215.17929	14.1
229.14337	52.0
233.18936	10.6
243.60670	4.5
267.37811	5.5
283.17630	5.9
283.57080	5.3
284.29117	7.1
307.22681	63.6
351.28104	4.6
461.32617	24.8
478.49756	8.1
523.38251	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	497.2718
Annotation	Leu His Ile Asp
Peak:m/z	Relative Intensity
54.08084	0.4
55.01866	0.5
55.05498	0.7
61.02888	0.3
67.05492	1.1
69.03407	0.6
69.07079	0.4
79.05477	0.8
81.07041	1.3
85.02886	0.6
89.44522	0.3
91.05489	0.7
93.07043	0.9
93.79470	0.3
95.08591	1.0
97.02911	0.4
105.07007	0.7
107.08516	0.4
119.08578	0.6
121.02880	0.4
131.08553	0.7
133.10120	0.5
138.03270	0.3
145.10040	0.4
152.03384	0.5
166.71385	0.3
167.08713	0.4
203.05312	0.6
215.56310	0.4
259.08051	0.4
262.10544	0.4
497.27148	100.0
498.27576	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14529	0.4
53.03922	1.0
55.01873	0.5
55.05505	4.6
65.03934	0.5
67.05494	4.2
68.76467	0.4
69.03060	0.8
69.03419	13.7
69.07047	1.4
70.37106	0.8
77.03931	0.7
78.03448	3.8
79.05470	3.4
80.05021	2.4
81.03410	6.7
81.07039	5.3
83.04971	10.0
83.08620	0.8
85.02882	0.6
91.05464	5.4
93.07037	4.7
95.04966	2.2
95.08595	6.3
95.40527	0.4
96.04502	3.2
97.06512	0.6
98.23347	0.6
105.07024	6.2
106.02913	6.3
107.04938	0.5
107.08584	4.9
109.06506	1.6
109.10124	1.7
111.04430	14.6
113.05991	0.5
115.05444	0.8
117.07001	2.7
119.05906	0.4
119.08566	8.5
120.81317	0.4
121.06452	1.4
121.10117	2.9
123.08034	0.8
124.03936	100.0
125.04279	1.6
128.06192	0.5
129.06966	2.5
131.08566	6.4
133.10121	4.4
135.08018	1.1
135.11711	1.1
141.06958	1.2
142.07741	2.0
143.08560	4.3
144.09277	0.6
145.06445	0.8
145.10106	10.1
147.08002	1.0
147.11650	2.8
149.09521	0.7
153.06987	0.7
154.07741	1.2
155.08534	3.5
156.09302	1.7
156.10480	0.4
157.10100	6.4
158.10832	0.5
159.07965	0.6
159.11661	6.8
161.09586	1.2
161.13240	2.6
163.11131	0.9
165.06979	1.0
166.07854	0.5
167.08582	1.4
168.09302	0.9
169.10081	4.4
170.10826	0.9
171.08093	0.7
171.11722	2.8
173.09570	0.7
173.13240	1.9
175.11208	1.0
175.14828	1.1
177.16388	1.9
179.08519	0.8
180.09212	0.8
181.10080	3.4
182.10896	1.1
183.11671	2.6
185.09560	0.5
185.13223	2.8
187.11224	1.1
187.14796	12.6
189.12706	0.9
189.16284	0.6
193.10065	1.7
194.10954	1.1
195.11685	2.8
196.12392	1.3
197.09457	0.6
197.13242	3.8
199.11116	1.1
199.14772	1.6
201.12637	1.0
201.16354	1.3
203.14301	1.4
205.10178	0.7
205.15862	6.9
207.11703	1.2
208.12694	0.5
209.09529	0.6
209.13199	2.1
210.14087	0.5
211.14748	3.1
213.12788	0.8
213.16345	0.9
215.14307	2.5
219.11652	0.8
220.12659	0.6
221.13223	0.6
223.11362	0.6
223.14766	1.3
225.12839	0.5
225.16272	1.1
227.14284	1.2
229.15796	2.3
231.11684	0.5
233.13191	0.5
235.14702	1.3
236.15663	0.7
237.16431	0.6
239.14276	0.5
241.19398	1.0
251.14192	0.6
251.17819	2.8
253.15897	1.9
261.16327	0.6
267.17599	0.6
269.19031	2.4
279.17432	2.7
280.17737	0.6
297.18466	5.2
315.19373	1.1
328.18985	5.2
420.21545	0.7
438.22653	1.5
498.39352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64301	0.6
55.05512	1.7
56.70398	0.7
57.03436	3.6
57.07054	0.8
58.06579	2.7
59.05001	1.0
60.04507	1.1
67.05494	10.6
69.03418	12.6
69.07053	2.5
70.06575	2.1
70.90227	0.7
71.04983	20.1
73.02901	0.7
79.05466	2.8
81.07043	7.7
83.04951	1.1
85.02895	8.3
85.06531	29.6
87.04455	5.9
91.05463	9.0
93.07032	3.3
95.04956	0.9
95.08595	1.4
97.02869	7.0
98.72817	0.8
99.04420	0.8
105.07012	9.0
107.08579	8.4
108.08082	0.7
109.06474	2.5
109.10137	17.5
111.22219	0.8
115.03917	8.1
123.11671	4.2
125.09590	1.6
127.03951	1.2
133.04942	5.0
133.10109	32.0
139.11153	1.9
140.07062	1.3
150.07510	1.6
151.11156	27.9
169.12210	29.7
170.12607	0.9
176.61525	0.7
187.13263	100.0
188.13602	2.3
221.76518	0.7
259.84662	0.7
286.83798	0.6
421.47324	0.8
480.28491	3.0
498.18094	0.9
498.29730	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	498.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.05530	1.8
55.46331	1.6
57.03424	7.3
57.07056	1.4
58.06588	7.0
59.04990	2.4
60.06475	1.7
67.05508	8.9
69.03422	35.2
69.06703	3.1
69.07059	43.3
69.99144	4.9
71.04978	7.3
79.05472	3.5
81.03411	3.9
81.07051	7.8
85.02898	22.9
87.04459	19.2
93.07027	1.7
94.62621	1.6
95.04941	5.5
95.08582	3.1
96.08149	1.6
97.02887	27.1
98.09682	2.8
105.03374	21.0
105.07014	2.3
107.08562	8.8
108.08127	2.3
109.10142	100.0
113.05997	2.2
115.03922	24.2
117.06926	1.7
123.11699	13.7
127.03908	4.6
127.11191	29.8
133.04950	22.5
133.10101	2.7
137.02313	4.1
145.04973	3.3
150.07655	1.6
151.11130	10.2
164.97134	1.7
166.04929	10.2
167.05336	5.6
169.10049	2.0
169.12222	37.4
169.15739	2.2
175.95541	1.9
187.13266	49.1
198.07672	2.4
223.13112	1.7
265.14075	2.0
301.16354	2.0
302.06445	2.0
303.07010	3.5
304.07196	3.8
406.59262	1.5
424.32706	1.6
462.26465	2.2
480.27573	16.2
498.28384	68.2
499.21512	6.3
499.28671	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	498.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.01860	9.3
55.05511	9.6
57.03440	13.4
57.07062	9.8
59.04994	32.0
61.02919	11.1
67.05499	7.9
68.71385	2.6
69.03426	34.0
69.07053	37.5
70.06592	3.5
71.04984	6.7
71.08619	5.6
73.02911	25.6
73.06556	9.1
75.17597	3.1
79.05495	3.9
81.03410	25.1
81.07039	10.6
85.02894	100.0
85.06557	3.8
87.00824	43.5
87.04462	8.1
91.05465	9.2
95.08579	6.9
97.01165	3.4
97.02879	48.8
97.88242	3.1
98.23423	9.1
99.04451	13.4
103.05444	12.6
105.01855	56.1
105.03372	8.1
105.05484	12.2
105.07039	3.3
107.08584	4.0
109.02857	32.9
109.10170	4.4
111.11707	41.4
115.03901	7.6
116.61946	3.0
119.08617	4.6
121.10140	4.5
123.11691	3.9
125.01529	7.7
126.01875	4.1
127.01231	50.1
127.02041	4.8
127.03907	60.6
128.01578	3.0
129.12744	74.1
131.04904	44.1
132.04546	3.8
133.05046	7.6
135.08151	3.5
136.76814	3.3
141.02808	4.4
141.06953	5.3
145.04947	31.1
150.07593	3.8
154.07758	5.4
159.02913	7.5
169.05920	29.4
169.10100	47.3
169.15883	9.1
170.10516	3.4
178.04984	38.5
206.04448	44.0
213.03873	4.2
215.16393	7.2
231.04953	17.9
241.04787	3.5
244.09680	5.2
249.05946	4.6
268.92749	3.0
312.19580	11.0
344.22305	6.3
361.02307	5.2
393.77271	3.3
461.64798	3.0
498.28909	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	498.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
55.87368	0.4
56.05034	3.4
57.03421	0.7
58.06590	6.4
59.04979	1.1
60.94265	0.3
65.03917	0.4
66.81893	0.4
67.05487	1.2
69.03422	2.7
69.73863	1.1
69.74213	0.8
70.06589	0.5
71.04978	1.3
72.08141	0.9
73.25492	0.4
74.96525	0.5
75.04459	0.8
79.05505	0.8
81.03413	0.7
81.07036	2.9
83.04965	0.9
83.08593	0.5
84.08127	0.7
85.02870	2.7
87.04442	1.7
91.05476	2.4
93.07035	5.0
95.04958	1.4
95.08573	0.9
97.02842	2.5
97.06473	0.5
98.09641	0.6
99.04435	0.9
102.09163	1.5
104.31116	0.5
105.07027	2.3
106.47103	0.4
107.08532	1.1
108.08108	6.0
109.02831	0.7
109.10115	0.5
111.04424	0.5
111.08062	1.6
113.05970	0.5
115.03915	1.6
115.05462	0.6
117.07001	0.9
119.08578	0.6
121.06451	1.2
121.10102	1.1
122.09697	0.8
123.11678	0.8
124.85920	0.5
125.06024	0.4
127.03905	1.5
128.06230	1.3
128.10788	0.6
129.06979	2.5
131.08569	2.1
133.04901	1.1
133.10101	1.3
135.08060	0.4
139.03915	0.6
141.06976	1.3
143.08575	2.3
145.05029	0.6
145.10092	1.2
151.11107	2.0
152.10727	0.7
154.12270	0.8
155.08498	0.7
158.09621	1.2
159.07994	0.6
160.11240	0.5
166.07658	0.4
167.08488	0.5
169.06516	0.5
169.10106	0.9
169.12195	3.0
172.11121	0.6
174.12733	1.0
175.11157	0.5
177.05421	0.5
178.04955	1.9
181.10097	0.7
183.07932	0.5
186.12836	0.8
189.08980	0.5
193.10072	0.8
197.09532	0.6
198.12680	0.4
206.04440	3.6
210.67136	0.5
221.09647	0.7
223.11150	0.6
229.39035	0.5
249.87402	0.5
384.17938	0.5
434.21744	4.5
448.23074	0.7
466.24310	32.1
467.24655	1.6
498.26849	100.0
499.27106	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	498.2843
Annotation	Lassiocarpine
Peak:m/z	Relative Intensity
51.02379	0.5
51.39899	0.4
53.03932	0.7
55.05511	0.4
56.05024	1.3
58.06592	3.3
67.05500	1.2
69.07090	0.6
69.28003	2.5
70.06571	1.2
72.08142	2.3
77.03947	1.2
77.39375	0.4
79.05489	1.5
81.07059	1.6
84.08146	2.2
85.02889	0.7
91.05484	2.0
93.07030	1.1
95.04955	4.3
95.08584	0.8
98.09683	1.4
105.03384	30.3
105.04527	1.3
105.07008	1.9
107.08598	0.6
108.08121	0.7
109.10136	0.6
110.09689	0.8
112.07600	1.2
117.07001	0.9
119.08556	0.8
122.09671	0.5
129.06993	1.3
131.08572	1.0
133.10091	0.7
140.06995	0.5
141.06963	1.1
143.08531	1.6
145.10132	1.4
147.11703	0.7
155.08548	1.9
157.10191	0.9
167.08598	1.3
169.10126	2.1
169.12270	0.9
171.11623	0.7
178.07695	0.8
179.08595	1.3
180.09232	0.6
181.10100	1.5
183.11688	0.6
186.12825	0.5
187.13379	0.6
193.10159	0.9
194.10942	0.9
195.11707	1.3
197.13289	0.5
207.11652	0.7
209.13339	1.1
211.14798	1.9
219.11748	0.5
221.13310	0.7
223.14941	0.7
226.15796	0.7
237.16447	0.5
239.14322	0.6
240.17487	0.8
249.12697	0.9
249.16360	0.7
268.20642	3.1
312.23328	0.5
322.21582	3.7
323.21976	0.5
330.24072	0.6
336.34000	0.5
340.22617	3.8
355.99655	0.4
358.23740	1.0
444.25870	0.6
453.34198	0.7
462.26382	3.9
480.27411	63.1
481.27606	4.5
498.28467	100.0
499.28827	7.5
508.29889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01096	0.3
53.03926	0.6
56.05017	1.4
58.06595	3.6
67.05490	0.6
70.06590	2.0
70.34003	0.4
72.08157	2.3
77.03931	0.4
79.05473	1.1
81.07050	1.4
84.08128	1.1
85.02901	0.6
86.81037	0.3
91.05441	1.4
93.07017	1.2
94.82513	0.4
95.04942	3.8
95.08602	1.0
98.09663	1.3
105.03380	26.9
105.04489	1.0
105.07013	1.5
107.08524	0.4
109.10163	0.5
110.09651	0.7
112.07581	0.9
113.07907	0.3
117.06991	1.0
119.08595	0.4
124.11194	0.4
129.06996	0.9
131.08546	1.1
133.10052	0.5
137.02325	0.5
140.07088	0.4
141.07016	1.4
142.07684	0.5
143.08572	1.2
145.10100	1.0
153.07036	0.6
155.08521	1.6
157.10129	1.0
159.11696	0.4
165.06973	0.9
166.07765	0.4
167.08553	1.7
168.09189	0.5
169.10072	1.8
171.11678	0.5
172.11206	0.5
179.08556	1.2
181.10106	1.4
183.11664	1.6
186.12823	0.7
191.08444	0.5
193.10210	1.4
194.10760	0.5
195.11714	1.1
197.09628	0.8
200.14391	0.5
207.11676	1.1
208.12413	0.5
209.13315	0.8
211.14795	0.6
217.10127	0.7
218.10901	0.6
219.11722	0.8
221.13306	0.9
223.14873	0.5
224.14302	0.6
233.13316	0.5
249.16296	0.8
250.15799	0.5
252.17462	0.6
261.13058	0.4
263.16800	0.5
264.17444	0.9
266.19064	1.1
268.20654	0.8
280.20596	0.6
281.21320	1.4
283.15353	0.5
292.17007	0.5
292.20587	0.5
292.75122	0.4
294.18591	0.5
300.19611	0.6
322.21677	4.3
328.22781	0.6
340.22684	9.1
358.23578	2.1
444.25345	2.2
462.26416	3.8
480.27396	47.6
481.27579	2.0
498.28433	100.0
499.28717	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	498.2845
Annotation	Lassiocarpine
Peak:m/z	Relative Intensity
51.02360	0.5
53.03936	0.3
55.05504	0.3
56.05034	1.8
56.10572	0.3
57.17195	0.2
58.06591	11.7
59.03136	0.2
60.50769	0.2
67.05498	1.4
68.22136	0.2
70.06581	0.6
71.04993	0.4
72.08144	3.3
77.03923	0.7
79.05468	1.6
80.05001	0.5
81.07054	0.9
84.08134	1.6
85.02908	0.5
88.07591	0.3
90.89777	0.2
91.05467	2.4
93.07028	1.6
95.04945	3.1
95.08591	0.4
98.09671	5.8
102.09183	0.8
105.03378	23.6
105.04510	1.1
105.07014	1.9
106.03702	0.3
107.04952	0.6
107.08550	0.4
108.08102	5.5
109.06523	0.3
109.10149	0.4
110.09671	0.4
115.05391	0.4
117.06979	1.2
119.08592	0.8
121.06532	0.3
122.09644	1.5
123.04384	0.5
123.11706	0.5
124.11212	1.4
128.06248	0.4
128.10699	0.7
129.07001	1.9
131.08553	1.9
133.10110	0.7
134.09612	0.3
135.08087	0.3
140.10695	0.3
141.06966	1.3
142.07747	0.4
143.08569	2.1
145.06456	0.3
145.10127	1.0
147.08003	0.3
148.11127	0.3
152.10721	0.5
154.07787	0.3
154.12247	2.2
155.08484	1.3
157.10083	1.1
159.11690	0.6
160.11339	0.3
165.06967	0.4
166.07736	0.5
167.08542	1.0
169.10100	1.4
171.08083	0.4
171.11580	0.6
179.08528	0.8
180.09258	0.5
181.10094	1.1
183.08049	0.3
183.11681	0.8
186.12787	0.4
187.13423	0.4
188.14317	0.5
193.10110	0.7
195.11668	0.5
197.13196	0.5
203.08621	0.3
205.10069	0.5
207.11714	0.6
209.13268	0.3
219.11696	0.3
220.12369	0.3
220.17017	0.3
221.13252	0.3
223.14908	0.5
225.12750	0.6
235.14769	0.4
251.14137	0.5
308.20139	0.5
312.19623	0.3
314.95749	0.3
326.21094	0.4
330.24344	0.3
340.22577	1.4
358.23776	1.1
395.30429	0.3
430.24042	0.4
444.25421	0.6
448.24899	1.2
452.24164	0.5
462.26392	2.4
480.27399	25.5
481.27344	1.3
498.28387	100.0
499.28723	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	498.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02023	0.5
55.05503	0.8
57.03429	1.1
57.45213	0.6
58.06578	0.7
60.04531	0.8
64.24572	0.5
67.05509	1.5
69.03400	0.8
69.10182	4.2
70.06577	1.9
71.04988	2.7
74.06072	5.6
79.05480	2.9
80.05032	1.3
81.03379	0.7
81.07047	2.3
81.07607	0.6
85.02914	1.5
85.06525	0.8
91.04984	0.5
91.05446	3.6
91.97953	0.6
93.07028	2.2
94.06552	1.1
95.04960	2.8
95.08598	1.9
97.02890	0.8
102.70110	0.7
105.03376	11.3
105.07022	2.9
107.08585	1.1
115.05360	0.8
117.07004	3.6
119.08597	2.0
121.06488	1.2
128.06252	1.1
129.06987	3.4
129.12762	0.7
131.08557	2.8
132.08073	1.0
135.08000	0.7
137.06038	1.0
141.07004	2.1
142.07701	0.6
143.08524	3.4
144.08107	1.7
145.10130	0.9
147.08058	1.4
149.09546	0.9
151.14835	0.7
155.08470	2.9
157.10135	1.8
165.06979	2.1
167.08546	2.9
169.10133	2.6
169.15849	4.7
179.08560	2.2
180.09247	0.9
181.10075	3.1
187.16945	1.5
191.08534	1.2
192.09346	0.9
193.10091	1.8
195.11661	3.5
197.13277	0.7
205.10219	0.8
207.11768	1.7
209.09485	0.7
209.13199	0.9
215.08554	1.2
218.10860	0.9
220.11130	0.7
221.13240	1.3
223.14711	1.5
233.13234	1.6
235.14914	1.4
239.14352	0.7
245.13145	0.9
251.14349	2.1
262.15878	1.1
266.15598	0.7
280.16983	1.9
283.16913	1.5
312.19513	60.0
313.19876	2.7
315.19711	1.0
316.19101	2.2
344.22162	29.1
345.22687	1.3
376.24756	11.1
434.23495	0.8
466.25839	4.0
480.26855	1.1
498.28442	100.0
499.28925	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	498.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.7
55.05508	2.3
65.03870	2.2
67.05486	8.7
68.05016	5.6
69.07059	8.2
70.02943	6.7
70.06575	11.4
71.04984	17.8
71.44778	2.2
79.05473	9.0
81.07041	7.8
86.06047	2.2
89.06001	3.3
91.05463	6.8
93.07040	2.5
94.06537	3.4
95.04911	3.1
95.08587	3.3
96.08105	3.9
97.06528	21.1
98.09694	14.3
105.07020	3.9
106.06525	5.9
107.08578	2.3
108.08090	6.8
109.10138	2.1
119.08598	3.7
120.08063	4.5
122.06018	17.6
122.09683	2.3
124.07574	40.4
133.10121	1.9
136.07559	74.7
140.07037	24.2
145.09981	2.1
148.07556	2.9
148.11180	2.2
153.07802	3.6
153.31519	1.9
157.10280	1.8
176.14357	7.3
194.15411	8.3
204.13800	16.0
222.14862	100.0
223.15218	4.1
224.16315	3.1
240.15962	5.5
275.89612	2.2
394.17184	2.0
398.26755	3.9
452.34619	2.3
480.34641	53.6
481.34705	4.6
498.35794	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	498.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.8
55.05499	3.6
56.05008	0.4
57.03426	7.6
57.07036	0.8
58.06590	40.4
58.06857	1.5
58.06998	1.2
59.04959	0.5
59.07369	11.6
60.08153	12.9
65.03931	0.4
66.95555	0.4
67.05492	11.1
69.07063	4.2
70.06561	0.6
71.08563	0.4
73.02870	0.8
75.04465	3.5
79.05479	3.7
81.07037	10.5
83.08572	1.2
84.08092	1.2
85.02897	2.7
86.09651	1.4
87.04449	4.9
89.05963	0.4
91.05472	2.2
93.05427	0.5
93.07034	3.0
95.04928	0.5
95.08028	0.5
95.08592	6.9
97.06485	0.6
97.10155	0.7
98.22678	0.8
100.11211	0.4
103.03914	0.7
104.10678	2.4
105.05440	1.2
105.06977	1.0
105.11033	0.7
107.08523	1.3
109.10132	2.2
113.05955	0.9
114.65054	0.3
116.82058	0.3
119.08529	1.1
121.10120	0.9
123.11665	0.8
124.99948	0.6
131.06972	1.5
133.08540	0.4
133.10077	1.1
135.11595	0.6
136.07491	0.6
137.13274	0.4
137.17984	0.3
144.09052	0.5
144.10165	10.1
147.11586	0.7
154.00323	0.3
159.06479	0.6
162.11232	2.5
184.07338	1.7
185.07678	0.7
186.07639	0.6
200.12703	0.8
218.13829	1.0
222.14870	0.4
236.14871	97.1
237.15233	1.7
381.17017	0.4
436.37762	0.6
470.36905	0.5
480.36792	24.2
481.37201	1.6
498.37823	100.0
499.38190	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37396	0.2
54.16126	0.2
55.01889	0.3
55.05509	2.1
57.03432	8.1
57.07067	0.4
58.06595	33.3
59.04977	0.3
59.07376	11.2
60.08160	9.6
65.03915	0.3
67.05498	5.6
67.05860	0.3
69.07063	2.0
69.66698	0.9
72.71439	0.2
73.02924	1.1
75.04470	4.6
79.05492	2.2
81.07054	5.1
83.04966	0.2
83.08624	0.6
84.08138	0.4
85.02902	2.7
87.04461	5.3
91.05479	1.2
93.05508	0.6
93.07038	1.5
95.08594	2.8
97.06548	0.4
99.28231	0.2
100.11211	0.3
101.06012	0.4
102.05544	0.3
103.03940	0.7
105.05500	0.9
105.07024	0.7
107.08611	0.7
109.10151	1.2
113.06008	0.5
119.08593	0.5
121.10162	0.5
123.11724	0.4
123.46855	0.2
124.12793	0.2
129.05438	0.3
131.07030	2.4
133.10146	0.4
137.39342	0.2
144.10178	8.5
147.11678	0.2
159.06557	0.4
162.11247	4.2
193.12114	0.2
200.12862	0.7
218.13943	0.7
235.29431	0.2
236.14897	100.0
237.15280	1.9
255.71103	0.2
289.22528	0.3
337.27225	0.2
374.56644	0.2
436.37961	0.5
480.36801	24.0
481.37076	1.5
498.37848	66.4
499.38489	3.5
511.32446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40249	0.5
55.05497	2.4
57.07070	39.3
58.30315	0.5
59.04989	1.0
61.32582	0.6
64.79633	0.6
66.78065	0.7
67.05486	0.9
69.07059	2.3
71.08624	27.4
73.06548	6.3
79.23022	0.7
81.07043	1.0
83.08596	2.7
85.10172	21.3
85.10693	1.0
87.04459	3.5
89.06020	100.0
90.06377	0.6
93.07064	0.8
95.08635	0.8
97.10160	4.4
98.22624	1.3
99.11725	4.8
101.93549	0.6
107.07081	2.9
113.13289	1.7
117.09106	3.8
130.08623	1.7
131.06982	1.1
133.08588	48.9
134.08908	0.7
135.10155	0.8
140.12550	0.6
155.17921	4.5
177.11195	17.3
178.11586	0.6
184.07475	0.5
195.12230	1.1
196.77127	0.7
199.20537	3.9
221.13861	2.7
236.14807	0.9
239.14870	2.4
239.44183	0.6
240.23172	0.6
243.23160	6.9
266.99234	0.6
283.17526	2.3
287.25900	4.0
327.20056	8.5
437.34973	0.8
481.37302	8.7
499.33914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	4.1
56.97440	0.5
63.90879	0.5
68.03424	0.5
85.04184	0.5
98.97571	24.6
99.20519	0.5
108.89980	0.5
112.92266	0.8
116.98608	14.0
130.93303	4.5
134.99684	5.1
148.94334	0.9
154.93413	0.6
156.96564	0.7
172.94341	11.2
174.97639	2.5
188.92291	0.9
190.95381	11.0
192.98718	1.7
206.93364	2.4
208.96436	3.2
214.95396	6.9
216.98732	1.9
224.94450	1.4
230.93352	14.7
232.96469	25.9
233.96796	1.1
234.99663	2.8
248.94423	16.9
250.97539	15.3
254.93457	0.8
256.96539	11.1
257.96631	0.6
258.99771	1.1
266.95480	5.7
272.94397	20.1
273.94614	0.8
274.97565	43.1
275.97827	2.3
276.97791	0.6
277.00903	1.6
280.96786	1.2
288.92557	0.7
290.95465	31.0
291.95645	1.1
292.98557	15.0
293.98920	1.4
296.94580	1.6
297.99207	0.7
298.97690	17.5
299.97928	1.5
306.93420	2.2
308.96466	6.4
314.95435	28.4
315.95740	1.3
316.95074	1.4
316.98761	24.9
317.98886	1.5
330.93359	1.9
332.96506	39.0
333.96521	1.9
335.00064	1.0
340.00806	0.6
348.94571	4.0
349.94580	0.6
350.97595	2.3
354.93393	0.8
356.96478	6.2
358.99899	1.4
372.94562	5.0
373.94836	0.6
374.97586	12.6
375.97903	0.7
390.95535	13.1
391.95493	0.9
392.98550	1.6
396.94299	1.4
398.97577	0.9
414.95557	10.0
416.99020	0.9
432.96564	18.2
433.96832	1.7
438.95425	5.2
450.97665	1.1
456.96594	100.0
457.96661	7.4
474.97659	36.6
475.97711	3.2
492.98505	1.0
497.99240	1.1
498.97833	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	499.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
54.03196	2.3
55.01864	8.9
55.05506	36.4
57.03432	28.4
57.07061	10.1
58.06589	24.9
59.07368	6.3
60.08169	14.7
61.02625	4.5
61.02920	60.1
61.08492	2.7
65.03929	4.7
67.05496	91.3
68.05804	2.4
69.03422	36.3
69.07067	38.9
71.01344	6.4
71.04981	7.7
71.07353	2.5
71.08608	4.5
73.02909	25.6
75.04466	3.1
79.05486	43.2
81.03408	32.2
81.07049	100.0
83.04964	6.7
83.08613	23.1
85.02891	57.4
85.06525	2.9
85.10190	3.0
86.09697	21.4
86.83429	2.3
87.04461	5.4
87.10027	6.4
91.03945	41.7
91.05473	33.0
93.00204	2.4
93.07032	43.0
95.04954	13.4
95.08597	72.5
97.02882	55.2
97.06518	6.5
97.10157	13.4
99.04458	12.6
101.02372	10.8
103.03931	7.2
104.10740	35.4
105.07018	29.0
105.11053	14.7
106.11330	2.5
107.04948	2.9
107.08566	25.8
109.02881	9.3
109.10137	29.4
111.04392	3.3
111.08063	4.2
115.03912	6.6
117.06998	6.2
119.08539	18.1
121.06525	4.1
121.10135	24.0
123.11713	14.1
124.99992	9.2
127.00409	3.8
127.03904	20.9
129.05441	4.6
129.07014	5.4
131.08560	11.4
133.06473	2.4
133.10124	15.9
135.11676	10.8
137.09601	2.4
137.13245	6.0
139.11150	3.4
143.08568	4.4
144.10242	4.0
145.04906	7.3
145.10118	8.8
147.08040	3.4
147.11659	8.9
149.13258	9.7
151.11090	3.0
151.14812	3.2
157.10115	5.2
159.11644	6.6
161.13226	10.4
163.14812	7.5
165.12746	3.2
166.31662	2.4
173.13345	4.6
175.14832	7.8
183.06511	5.2
183.11627	3.3
184.07303	26.8
185.07710	12.8
185.13298	2.4
186.07756	17.4
187.07988	3.4
193.12268	3.4
198.61630	2.5
201.07594	4.1
201.16264	2.4
215.18057	2.8
228.54636	2.6
236.14874	49.7
237.15250	27.1
245.22528	10.4
263.23611	18.5
303.23074	2.6
335.25790	2.9
337.27301	73.7
365.26804	4.8
371.25998	4.6
407.28714	2.6
445.28687	3.9
481.31195	4.3
481.36868	13.5
499.32678	19.7
499.38071	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73683	4.3
55.05511	36.0
57.03424	5.2
57.07068	8.4
58.06594	11.3
60.05959	4.1
65.03948	8.1
67.05495	64.1
69.06723	6.9
69.07044	33.5
69.62138	9.2
69.62489	13.6
79.05482	50.3
81.03403	5.8
81.07045	100.0
83.08618	25.6
91.05465	48.3
93.07032	61.9
93.88264	4.7
95.04964	19.7
95.08587	79.5
97.06535	7.8
97.10163	12.0
98.74117	4.5
103.05476	5.6
105.04550	5.7
105.06999	84.1
107.04946	10.6
107.08577	90.0
109.06496	15.0
109.10138	86.7
111.08027	6.1
111.11712	5.0
115.05449	5.1
117.07023	18.7
119.04961	8.2
119.08546	48.0
121.06498	50.6
121.10128	48.6
123.08065	16.4
123.11697	53.6
129.07025	10.1
130.07806	5.7
131.08572	27.6
133.06480	17.5
133.10129	22.0
135.08037	20.9
135.11673	17.2
140.03139	4.7
142.07788	8.7
143.08562	26.5
145.06474	13.7
145.10107	54.8
147.08055	17.4
147.11690	20.9
149.09641	11.3
149.13235	14.2
149.70303	5.1
154.86929	4.8
155.08492	11.3
156.09364	6.1
157.06458	14.2
157.10120	28.9
159.08073	21.7
159.11659	32.8
161.09639	19.1
161.13274	6.2
163.11224	5.5
163.14844	9.6
167.08551	11.2
169.10135	14.7
171.08110	13.4
171.11691	23.4
173.09593	95.6
173.13210	9.3
175.11205	34.8
175.14732	5.8
177.16371	14.3
179.08540	5.2
181.10149	11.0
183.08083	7.6
183.11725	12.4
185.09561	16.4
185.13303	18.6
187.11182	29.6
187.14796	6.8
189.12741	12.5
193.10115	6.0
195.11679	7.1
197.09561	7.5
197.13249	8.6
199.11195	12.9
199.14842	13.5
201.12764	18.9
207.11627	5.5
209.13258	12.6
211.14632	6.7
213.12650	35.0
213.16344	5.8
215.14409	9.3
217.15887	5.4
221.13214	6.3
227.14297	28.6
231.13737	26.5
237.16382	5.1
239.14349	6.9
245.15405	17.6
249.14873	8.3
263.16342	29.3
275.16385	27.9
277.18063	10.9
289.17960	5.5
297.22137	19.4
299.16446	8.1
301.18082	7.1
313.17871	23.7
315.19482	81.0
317.20999	38.6
326.22821	4.9
327.19470	6.0
329.21066	22.8
341.21103	6.6
343.22623	14.5
355.22607	13.3
357.24271	14.0
369.24149	22.2
421.30957	10.8
426.26154	10.9
439.31927	34.9
440.32053	5.4
457.33438	8.7
499.27859	11.4
499.34088	53.2
500.30444	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	500.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78613	0.4
55.05468	0.4
58.06576	0.8
60.30566	0.4
61.02887	0.7
69.03410	1.7
69.25280	2.6
69.86483	0.5
70.06563	0.9
71.04976	0.5
73.02899	0.6
79.05470	0.5
79.63115	0.4
81.03389	1.5
84.08111	0.5
85.02906	4.5
91.05454	1.3
94.04158	1.5
94.12029	0.4
95.04971	0.7
97.02866	2.0
105.19521	0.4
107.04946	0.8
109.02881	0.6
117.03332	0.8
119.04897	0.6
121.06487	1.7
122.03603	4.8
123.08012	0.7
127.03915	0.9
129.06908	0.6
135.04399	1.2
137.05957	100.0
138.06303	1.9
145.02788	3.5
145.04906	1.1
147.04401	1.3
149.05959	6.2
151.07503	3.2
152.06200	0.6
153.06975	3.2
159.10182	0.6
164.07114	1.1
167.08572	0.6
177.05452	7.0
178.04935	2.2
179.07053	1.0
180.05582	0.7
181.06467	7.3
190.08730	0.5
195.08136	1.3
198.06801	0.9
198.08649	0.5
206.04433	5.1
209.06001	1.9
213.09113	5.8
223.07607	0.6
241.08560	7.4
253.08479	1.0
273.11179	32.4
274.11536	1.3
285.11365	0.9
299.13644	0.5
303.12326	0.8
321.09839	2.3
339.11292	1.4
450.25348	0.9
492.40381	0.5
500.28650	15.2
501.16571	0.6
501.29028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12685	2.3
53.49105	2.1
53.93903	1.9
55.01854	8.4
55.05492	8.1
55.18716	2.1
59.04989	24.9
67.05502	15.8
68.70426	2.1
69.03435	3.6
69.07051	15.9
69.89336	4.8
69.89737	4.4
71.04947	2.5
74.29803	2.2
79.05488	26.5
81.03394	9.6
81.07035	10.1
82.50582	2.7
82.89518	2.1
83.04964	6.2
83.08594	2.3
91.05471	16.3
93.07020	22.9
95.04951	8.7
95.08584	13.2
97.06512	7.5
97.10145	3.7
99.04453	3.7
105.07005	12.1
107.04938	50.6
107.08585	14.3
109.06496	4.1
109.10138	7.9
111.04419	7.5
111.09292	2.1
117.06989	6.1
117.09143	10.6
119.08538	12.9
121.06499	3.2
121.10136	9.8
123.08096	2.4
125.09629	3.1
129.06956	2.5
131.08534	7.3
133.10112	7.6
135.08020	14.8
135.11604	2.9
137.09586	8.8
139.11145	4.7
143.08548	2.6
145.10094	6.6
147.08023	3.1
149.09595	22.7
153.09062	2.6
157.10060	3.4
159.11652	5.6
161.09616	3.3
163.11139	2.9
165.09119	4.0
172.24387	2.2
173.11591	2.3
175.11163	2.8
185.13196	3.8
221.15320	2.6
226.35071	2.3
245.18974	2.1
253.92081	2.5
263.20026	2.5
273.18484	27.1
291.19510	100.0
309.20505	8.1
321.69913	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61335	0.3
58.06597	0.5
60.32882	0.3
62.23961	0.5
67.05482	0.7
68.05025	0.4
69.03413	0.4
69.15298	2.4
70.06586	1.0
71.04970	0.6
72.58691	0.3
75.04465	1.0
79.05462	1.0
80.05008	1.4
81.03404	1.0
81.07005	0.4
84.04452	0.3
84.08121	0.5
85.02888	2.6
87.04468	0.9
91.05474	1.6
94.06555	1.4
95.04946	1.1
97.02892	0.4
97.06509	0.6
98.22701	0.8
105.07022	1.2
107.04922	0.8
109.06499	1.2
112.07570	0.6
115.05418	0.5
117.06990	1.0
118.06552	0.5
119.04915	0.5
119.08543	0.6
120.08079	0.7
121.06481	0.7
123.04411	1.0
123.08035	0.7
124.07613	0.5
128.06224	0.9
129.07008	1.8
131.04909	0.5
131.08545	0.8
132.08073	0.6
133.02907	0.5
133.06432	0.6
134.06059	0.4
135.04388	0.6
136.07590	0.4
137.05954	1.0
141.06992	1.3
141.09119	0.5
143.08522	0.9
145.06473	1.3
147.04407	0.4
147.08022	0.8
149.05928	0.4
151.03923	0.5
151.76941	0.4
153.05602	0.4
153.06981	1.3
154.07796	0.4
155.08549	1.5
156.08072	0.5
157.06465	0.7
158.09595	0.9
159.08083	0.7
161.05972	0.6
161.09645	0.4
164.07082	0.3
165.05634	0.3
165.06950	1.8
166.07724	0.7
167.07324	0.4
167.08586	1.3
169.06508	0.8
169.10118	0.8
170.09596	0.6
171.08055	1.1
174.09065	0.5
177.05472	0.7
178.07808	1.0
179.08578	2.1
181.06467	0.6
181.10085	2.0
182.07208	0.4
182.09630	0.6
183.08133	0.6
184.11165	0.5
185.09544	0.7
188.10725	0.9
190.07785	0.7
191.08560	1.4
192.09326	0.5
193.10104	1.5
194.07190	0.6
194.09674	0.5
195.08046	1.1
195.11746	0.7
196.08850	0.4
196.11162	0.5
197.09561	0.7
198.09190	0.5
199.11169	0.5
201.05505	0.4
202.07668	0.5
203.08531	0.8
205.10115	1.7
207.08026	1.0
207.11714	0.9
208.08792	0.5
208.11186	0.7
209.09644	1.7
211.11272	0.5
213.09018	0.6
215.08621	0.5
217.10170	0.6
218.09579	0.4
219.08051	0.9
220.11235	0.4
221.09578	1.3
223.07605	0.5
223.11148	1.3
225.09093	0.9
226.12227	0.5
227.10828	0.4
232.08949	0.4
233.09546	1.6
235.07483	0.5
235.11058	1.2
236.10727	0.6
237.09023	0.7
238.12309	0.5
239.10822	0.4
250.12190	0.4
251.10634	1.8
253.12195	0.8
254.11696	0.6
261.09113	0.6
262.12250	0.6
263.10632	0.8
265.12131	0.4
267.10007	0.4
268.13538	0.4
272.12973	0.4
279.10059	0.8
280.13226	0.7
290.11636	0.5
293.11719	0.7
298.14230	0.4
304.15372	2.5
308.13110	0.5
311.12717	0.8
314.13626	0.5
322.14374	0.6
326.13742	0.7
330.16727	0.9
332.14838	0.6
340.15329	1.7
346.15945	0.5
351.21283	0.4
358.16479	2.0
372.17957	1.6
375.17862	0.4
376.17545	0.8
390.19064	3.2
392.16714	0.7
404.20493	1.0
408.20120	1.5
422.21680	2.4
432.20178	1.2
436.19528	0.7
440.22781	9.0
441.23187	0.5
482.23822	1.1
500.24768	100.0
501.25226	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	500.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09565	3.1
55.01859	5.9
55.05506	16.1
55.61963	3.1
59.04993	19.4
62.97026	3.1
65.31924	3.0
67.05499	17.8
69.03442	4.8
69.07061	10.0
79.05480	26.7
81.03416	5.5
81.07047	48.6
83.04977	7.1
83.08610	9.9
84.04512	3.8
86.49789	3.9
91.05460	16.8
93.07017	18.8
95.04971	11.7
95.08592	8.5
97.06529	4.1
97.10166	10.4
98.22625	8.1
105.07055	13.9
107.04945	8.1
107.08598	17.6
109.06485	5.3
109.10135	7.6
110.93154	3.3
111.04433	7.0
117.07016	9.4
117.09118	5.9
119.08545	20.1
119.82630	3.3
121.06510	8.3
121.10149	11.1
123.08061	6.1
125.09633	11.3
129.06985	5.4
131.08580	10.8
133.10121	5.5
135.08003	8.0
141.09016	3.7
143.08656	3.4
143.70418	3.7
145.10081	13.1
147.08035	10.6
149.09612	6.0
153.12756	4.8
159.11699	5.1
161.09604	6.2
163.11156	7.5
173.09651	7.4
189.11205	11.4
191.10643	5.0
219.65201	3.3
223.13348	5.1
227.12711	6.2
273.18457	27.4
276.55585	3.3
291.16235	6.4
291.19485	100.0
292.19836	5.0
342.87637	3.5
500.20596	7.2
500.28220	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	500.2641
Annotation	Malycorin B
Peak:m/z	Relative Intensity
53.03929	0.5
55.01851	0.4
55.05503	0.5
56.05027	1.8
57.13255	0.4
58.06595	8.5
67.05485	1.3
69.03418	0.5
70.06581	0.7
72.08134	1.5
79.05476	1.9
80.05014	0.8
81.03397	0.8
81.07023	0.9
82.06559	0.4
83.04977	0.8
84.08141	2.5
85.02878	1.2
91.05471	2.6
93.07031	1.2
94.06548	0.7
95.04945	2.1
96.08113	0.7
97.02818	0.4
98.09673	1.2
105.03381	10.0
105.04477	0.9
105.07019	1.8
105.85197	0.4
107.04945	8.4
108.08103	6.8
110.09672	0.7
110.72731	0.4
114.40162	0.3
117.07008	1.3
119.08539	0.8
121.08872	0.9
122.09648	4.1
123.10438	0.7
124.11230	2.3
128.06215	0.9
129.06985	1.8
131.08539	2.5
133.06490	0.5
133.10117	1.2
141.06993	1.3
143.08504	1.8
145.10126	1.5
153.06990	0.5
154.07805	0.6
155.08488	1.3
157.06528	0.5
157.10127	1.3
159.08109	0.5
160.11099	0.5
165.04231	0.7
165.06979	0.7
166.05000	1.4
167.08534	0.9
169.10030	1.9
171.13858	0.5
173.09602	0.5
177.05453	0.5
179.08562	0.9
181.10088	0.9
183.11621	0.6
188.14276	0.5
189.15173	0.6
193.10112	0.6
195.11668	0.9
197.06876	0.5
207.11696	1.1
214.48990	0.4
219.11740	0.5
221.13251	0.7
242.11815	0.5
244.13382	0.5
267.13791	0.5
324.19571	1.4
342.20572	2.8
346.20422	0.5
360.21774	1.2
378.22699	1.1
446.23276	1.3
455.93683	0.4
456.27670	0.4
464.24271	6.9
482.25299	22.8
483.25537	1.0
500.26346	100.0
501.19537	0.8
501.26657	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	500.2654
Annotation	Malycorin B
Peak:m/z	Relative Intensity
56.05016	0.6
57.03435	0.7
58.06590	3.7
64.05481	0.5
67.05492	1.3
69.03405	2.1
69.33519	2.7
69.33852	1.0
71.04993	0.9
71.08640	1.3
72.08151	1.4
79.05482	1.8
80.05046	0.7
81.07050	1.1
84.08138	0.8
85.02884	1.9
87.04458	1.6
91.05451	2.2
93.58795	0.8
95.04961	1.4
97.02865	1.1
98.22697	1.2
99.08060	1.8
103.05501	0.6
105.03383	13.0
105.04501	1.1
105.07021	1.6
107.04921	0.8
108.08115	2.9
109.10114	1.6
114.09140	0.6
115.03920	1.8
116.11802	0.6
121.08890	0.7
122.09647	6.6
127.03931	0.6
129.07013	0.7
131.08536	1.4
133.04941	1.5
140.10669	0.7
141.06990	1.1
143.08525	1.8
145.12213	5.9
148.13928	0.7
155.08513	2.1
159.08051	0.8
167.08488	1.2
172.15169	0.6
179.08551	0.9
181.10147	1.1
184.11198	0.6
189.14784	3.1
195.11604	1.0
197.66045	0.6
207.11710	0.9
244.13379	0.9
324.19626	0.8
342.20596	3.0
360.21625	1.8
378.22690	1.1
446.23169	0.7
464.24252	4.4
482.25415	6.7
500.26340	100.0
501.26611	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	500.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.6
57.03435	0.7
58.06590	3.7
64.05481	0.5
67.05492	1.3
69.03405	2.1
69.33519	2.7
69.33852	1.0
71.04993	0.9
71.08640	1.3
72.08151	1.4
79.05482	1.8
80.05046	0.7
81.07050	1.1
84.08138	0.8
85.02884	1.9
87.04458	1.6
91.05451	2.2
93.58795	0.8
95.04961	1.4
97.02865	1.1
98.22697	1.2
99.08060	1.8
103.05501	0.6
105.03383	13.0
105.04501	1.1
105.07021	1.6
107.04921	0.8
108.08115	2.9
109.10114	1.6
114.09140	0.6
115.03920	1.8
116.11802	0.6
121.08890	0.7
122.09647	6.6
127.03931	0.6
129.07013	0.7
131.08536	1.4
133.04941	1.5
140.10669	0.7
141.06990	1.1
143.08525	1.8
145.12213	5.9
148.13928	0.7
155.08513	2.1
159.08051	0.8
167.08488	1.2
172.15169	0.6
179.08551	0.9
181.10147	1.1
184.11198	0.6
189.14784	3.1
195.11604	1.0
197.66045	0.6
207.11710	0.9
244.13379	0.9
324.19626	0.8
342.20596	3.0
360.21625	1.8
378.22690	1.1
446.23169	0.7
464.24252	4.4
482.25415	6.7
500.26340	100.0
501.26611	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	500.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	8.3
58.06587	6.4
59.04982	2.0
62.79708	1.6
63.07702	1.7
67.05489	8.9
69.03427	19.9
69.07068	2.2
70.57284	3.9
71.04984	14.0
71.08625	13.8
72.08141	1.9
79.05471	2.6
80.96996	1.9
81.07011	2.3
83.08600	5.7
85.02887	15.5
87.04441	11.9
91.05457	2.8
93.07049	2.7
95.04950	4.2
97.02882	15.0
99.04475	2.7
99.08067	16.8
105.03391	15.4
105.06969	3.1
108.08089	2.4
109.10156	30.8
110.76186	2.0
115.03916	18.3
119.08546	2.3
122.09644	7.3
123.04372	1.9
127.03899	5.2
127.11190	5.4
129.06921	2.3
130.05026	3.0
131.08632	3.0
133.04933	19.0
133.06500	2.2
143.08488	2.3
145.12222	66.2
155.08517	2.2
171.13771	12.0
189.14833	27.2
241.14473	3.7
342.20605	3.7
344.85141	2.0
464.24084	4.0
482.25009	10.0
500.26343	100.0
501.26767	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	500.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99050	7.5
55.05494	10.2
57.03425	22.2
57.07068	10.9
58.06582	8.1
58.42363	7.3
62.84480	7.3
67.05492	10.2
69.03420	17.6
69.07064	19.7
69.59957	34.8
70.06572	26.3
72.85110	8.6
73.02907	9.5
81.07043	11.0
85.02886	20.8
85.06555	7.9
95.08622	12.1
97.02871	15.0
97.06540	14.8
98.23403	18.2
99.08084	7.8
109.10143	53.8
127.11170	35.9
145.02829	12.0
153.12727	54.6
155.14290	33.3
165.32164	7.6
171.13803	99.2
177.05481	31.5
284.27936	8.6
393.65579	9.3
407.42593	11.0
468.26096	13.7
500.21796	11.1
500.28506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17839	3.3
55.05490	3.7
57.03433	9.6
58.06591	9.4
67.05490	6.1
69.03427	6.5
69.07039	6.1
70.06604	5.4
70.79872	3.8
71.04979	5.9
81.03416	7.3
81.07051	9.7
83.04964	4.5
85.02895	15.8
87.04485	3.9
91.05472	6.0
95.05006	4.1
97.02880	7.6
99.08109	7.3
105.03386	11.5
109.10138	14.9
115.03918	4.2
119.04926	21.7
119.42081	3.6
123.11729	4.1
127.11198	18.5
133.04932	4.6
136.49248	3.6
141.12752	7.2
145.04996	3.8
147.04395	100.0
153.12746	9.3
155.14304	18.2
171.13774	33.7
177.05452	5.7
183.11539	3.7
194.04424	3.9
218.42732	3.4
482.25699	4.2
500.25934	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
57.03426	17.1
57.07066	3.1
58.06593	5.8
61.02922	8.1
65.15034	3.1
67.05498	11.3
69.03418	21.9
69.07049	7.9
71.04989	16.7
71.08612	18.7
73.02914	34.1
79.05498	5.5
81.03413	8.9
81.07066	9.5
81.51620	3.0
83.08607	7.5
85.02893	40.8
86.09692	3.1
89.56322	3.2
90.71564	2.9
91.05478	5.3
95.05001	3.3
97.02890	32.6
97.06541	5.2
98.22593	6.3
99.08078	24.1
104.10750	6.9
104.90798	3.1
105.03403	7.5
105.04130	3.3
105.07011	4.1
107.08609	4.7
109.02869	6.5
109.10134	38.6
115.03924	14.8
121.06498	5.8
125.00073	3.1
127.03920	12.7
127.11189	8.5
130.04967	5.2
133.04965	17.4
133.06485	23.4
135.07985	4.0
137.05989	4.0
145.04976	14.5
145.12221	100.0
145.13368	6.0
147.08212	3.8
163.06029	7.3
171.13802	16.8
177.05544	6.3
184.07312	6.3
189.12808	16.4
189.14879	51.2
191.14265	17.5
207.13812	19.5
223.06047	5.0
239.99103	2.9
313.13031	3.1
314.41101	3.2
338.10059	7.7
339.12210	8.3
341.31427	3.2
482.26251	3.6
500.27032	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2848
Annotation	Aconine
Peak:m/z	Relative Intensity
55.01854	0.3
56.05023	1.1
58.06594	4.9
61.94960	0.2
66.44675	0.2
67.05489	0.4
69.03395	0.2
69.85303	0.6
70.06580	0.6
75.04462	0.6
79.05482	0.7
81.03423	0.2
81.07025	0.3
83.04955	0.2
84.08131	0.5
85.02905	1.3
87.04465	0.6
88.07613	0.4
91.05463	0.8
95.04991	0.4
97.02888	0.4
97.06499	0.2
98.23409	0.3
99.04423	0.4
102.09204	0.3
105.07029	0.5
107.04929	0.3
108.08118	0.9
109.06525	0.6
111.04425	0.3
115.05427	0.3
117.07009	0.8
121.06499	0.4
122.09655	0.6
125.02367	1.0
128.06219	0.4
129.06953	1.2
131.08522	0.5
133.06485	0.3
134.31461	0.3
137.05969	0.5
138.09131	0.5
141.06985	0.6
143.08563	0.6
145.06384	0.3
147.08025	0.3
152.10693	0.8
153.06987	0.4
154.07706	0.5
155.08522	1.4
157.06458	0.4
157.10063	0.3
158.09587	0.3
159.08052	0.6
160.11217	0.3
161.09535	0.3
165.06973	0.8
166.07742	0.5
167.08589	1.2
169.10124	0.4
171.08104	0.5
172.11205	0.5
173.09637	0.4
177.05513	0.3
178.07770	0.3
179.08519	0.9
181.06602	0.3
181.10138	0.5
182.11789	0.6
183.08047	0.6
184.11194	0.3
185.09647	0.7
186.12718	0.4
187.07532	0.3
187.11182	0.3
190.07834	0.3
190.12233	0.4
191.08574	0.6
192.09288	0.3
193.10133	0.8
195.08026	0.6
195.11752	0.4
196.11189	0.3
197.09605	0.7
198.12794	0.4
199.07463	0.3
199.11171	0.2
201.08989	0.3
202.07722	0.4
203.08492	0.5
204.09271	0.5
205.10120	0.8
207.08063	0.3
207.11694	0.4
209.09523	0.6
211.11198	0.3
213.09138	0.3
215.08511	0.3
216.13805	0.3
217.10172	0.4
221.09685	0.2
223.11243	0.4
227.10869	0.3
233.09526	0.7
235.11212	0.4
245.09534	0.3
251.10677	0.4
261.09122	0.3
265.12161	0.3
324.15924	0.6
334.66959	0.3
374.19678	0.6
376.20782	0.2
386.19696	0.7
392.20645	1.1
404.20724	0.8
406.22247	0.3
418.22229	3.0
424.84232	0.3
436.23215	1.5
440.22949	0.3
450.24826	10.8
451.25006	0.8
468.25806	3.6
482.27377	1.6
500.28476	100.0
501.28818	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	500.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.7
58.06591	5.2
61.44827	0.3
61.87775	0.3
70.06597	1.1
70.75848	0.4
71.05005	0.3
75.04489	1.0
79.05518	0.7
81.03409	0.4
84.08149	0.7
85.02895	1.5
87.04485	0.5
91.05502	1.2
93.23019	0.3
94.06564	0.3
95.04990	0.6
95.08655	0.4
97.06548	0.6
102.75632	0.3
103.05469	0.4
105.07083	0.7
107.05016	0.4
108.08141	1.2
109.02936	0.4
109.06528	0.8
111.04496	0.3
112.07634	0.5
115.05477	0.5
117.07034	1.2
121.06561	0.4
122.09699	0.8
125.02401	1.2
128.06241	0.5
129.07050	1.3
131.08617	0.8
133.06534	0.5
137.06000	1.0
139.36873	0.3
141.07050	1.2
141.09109	0.5
143.08600	1.0
145.06516	0.5
152.10765	1.1
153.07011	0.9
155.08594	1.3
157.06525	0.4
158.09702	0.4
159.08090	0.5
165.07060	0.8
166.07901	0.4
167.08633	1.3
169.06508	0.6
169.10077	0.6
171.08072	0.6
172.11371	0.4
178.07758	0.7
179.08583	1.8
181.10214	0.9
183.08112	0.9
184.11177	0.8
185.09654	0.8
186.12650	0.4
187.07573	0.4
187.11293	0.7
190.12299	0.6
191.08640	0.5
192.09444	0.6
193.10130	0.8
195.08044	0.6
195.11798	0.4
196.11398	0.3
197.09741	0.6
198.12816	0.4
202.12430	0.4
202.46535	0.3
203.08717	0.5
203.21313	0.3
205.10236	1.2
207.08075	0.4
207.11766	0.4
209.09697	0.7
210.12874	0.4
217.10287	0.6
219.11548	0.4
221.09735	0.6
225.09138	0.4
226.87297	0.3
233.09673	0.8
235.11284	0.7
239.10893	0.4
245.09843	0.4
251.10869	0.4
304.15588	0.4
372.18274	0.4
386.19757	1.0
390.19351	0.6
392.21069	1.2
404.20853	0.9
408.19550	0.4
418.22205	3.1
418.26572	0.3
420.32724	0.3
422.21893	0.4
436.23514	1.5
440.22845	1.3
450.24863	9.6
450.30719	0.6
468.25864	3.2
482.27924	0.8
500.28745	100.0
501.28967	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	500.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46380	0.3
55.74489	0.3
57.07069	4.6
57.76683	0.3
58.06604	1.8
65.95009	0.3
67.05497	0.8
69.07060	0.4
70.06606	0.8
75.48085	0.3
79.05487	1.5
79.74720	0.3
81.07058	1.2
82.06567	0.3
84.08154	0.4
86.06100	0.5
88.97218	0.3
91.05460	2.1
93.07035	1.3
94.06583	0.4
95.04958	0.5
95.08601	0.7
96.08154	0.5
98.22631	0.8
105.07012	3.0
107.08603	0.7
108.08122	1.1
109.10170	0.4
109.31006	0.3
110.06056	0.7
112.07613	0.3
117.07007	0.9
119.08591	1.3
121.06430	0.3
121.10194	0.5
124.07561	0.3
128.06213	0.7
129.06964	1.4
131.08534	1.9
132.08125	0.4
133.10147	0.4
134.09647	0.6
135.08047	0.3
141.06990	0.9
142.07811	0.3
143.08537	2.0
144.08020	0.5
145.08981	0.8
145.10135	1.2
146.09685	1.3
148.01155	0.3
148.11227	0.6
149.09573	0.7
152.29982	0.3
153.07001	0.5
154.07819	0.5
155.08534	2.5
156.92050	0.3
157.08961	0.4
157.10159	1.2
158.09650	6.4
159.10381	0.5
160.11209	2.4
162.09236	0.4
162.12703	0.4
165.07054	1.1
167.08533	1.4
169.10159	1.8
171.11732	0.9
173.24521	0.3
174.09196	0.5
176.10796	0.4
178.12250	0.4
179.08591	1.1
180.09389	0.9
181.10132	1.6
183.11697	0.7
190.12215	0.7
191.08559	0.6
192.09357	0.9
193.10042	1.8
194.10918	0.5
195.11662	3.5
197.13289	0.6
204.09483	0.3
205.10132	0.6
206.10977	0.6
207.11745	1.0
209.13254	1.5
210.28091	0.3
211.14848	0.5
217.10056	0.4
219.11710	0.8
221.13264	1.4
222.12637	0.4
223.11250	0.3
231.11775	0.5
233.13251	0.3
237.12968	0.3
237.16341	0.9
239.14737	0.3
239.17905	0.3
247.14815	0.6
254.15475	0.3
266.19073	0.4
268.20679	0.4
278.19086	1.0
280.17078	0.5
296.20090	4.9
306.18399	2.5
324.19519	12.4
325.19986	0.7
329.81631	0.4
342.20624	1.6
398.23151	0.7
398.27139	6.5
408.25531	0.4
426.26324	29.0
427.26645	2.1
482.25513	1.2
500.30130	100.0
501.16776	0.9
501.30444	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	500.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.6
60.90693	3.3
67.05509	6.7
67.50965	2.9
69.07051	5.3
70.02931	4.1
70.06586	8.3
71.04980	16.3
79.05480	5.0
81.07031	4.2
85.53922	2.6
93.07027	4.0
94.06562	3.3
96.08094	5.5
97.06522	13.9
98.06068	2.9
98.09692	8.2
108.08130	5.8
122.06007	12.5
124.07582	24.5
136.07544	57.8
140.07039	23.4
179.37178	2.6
194.15376	5.4
195.39658	2.5
204.13818	15.4
222.14841	100.0
240.15906	4.0
336.17740	2.8
383.57202	2.7
434.23907	3.2
482.36108	47.1
489.40265	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16430	0.5
55.05489	2.8
57.03431	7.3
57.07047	1.1
58.06590	31.6
59.07373	11.2
60.08156	9.2
67.05497	2.7
69.07050	4.2
69.70933	1.8
69.82264	0.5
73.02881	1.4
75.04460	4.8
79.05444	1.1
80.34550	0.5
81.07015	1.6
83.08627	2.6
85.02865	2.0
87.04443	5.3
91.05430	0.7
93.06995	1.5
94.02399	0.5
94.63923	0.5
95.08585	2.6
97.10139	0.8
98.22644	0.7
100.11242	0.6
101.06010	0.6
102.05552	0.7
103.03918	0.8
105.05437	0.6
107.08560	1.0
109.10162	0.9
115.35566	0.5
121.10126	1.0
131.07010	2.3
135.11739	0.6
144.10170	7.7
159.06476	0.6
162.11227	4.6
175.26964	0.5
236.14879	100.0
237.15189	1.5
287.34094	0.6
331.26004	0.6
482.38321	24.4
483.38617	1.3
500.39380	74.5
501.39963	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	501.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	6.8
61.02887	5.6
67.05521	9.8
69.07051	6.9
69.23898	31.8
79.05483	17.3
79.92452	5.1
81.07059	13.7
91.05469	16.2
93.07036	17.7
95.04984	9.0
95.08618	10.2
105.07014	18.9
107.04923	6.3
107.08559	11.0
109.10171	10.1
117.06994	6.6
119.08594	12.2
121.10101	8.5
123.89744	4.9
131.08597	15.4
131.74910	5.1
132.41843	5.8
133.10144	13.2
135.24593	5.0
145.10110	22.3
147.11639	6.9
149.09583	14.1
151.11168	8.2
159.11667	10.6
163.11157	29.8
173.09621	5.3
175.11194	5.9
179.10648	9.6
201.16367	7.9
202.16725	5.6
219.17442	9.8
247.16992	22.3
258.16351	5.9
265.17960	32.8
288.53644	5.4
321.20587	100.0
339.21603	56.7
404.07944	6.8
528.86603	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	502.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70956	0.3
50.88243	0.4
53.61032	0.4
56.05049	0.4
58.06593	1.2
62.46262	0.3
65.03944	0.4
66.54970	0.3
70.06588	0.7
70.93442	0.4
70.93811	0.5
74.16868	0.3
75.04472	0.8
77.30254	0.3
79.05479	0.4
83.01358	0.4
84.08135	0.5
85.02889	0.8
85.50295	0.3
87.04453	0.6
88.07648	0.5
91.05476	0.6
94.06567	1.0
95.04980	0.6
97.02897	0.9
98.06081	0.4
101.27025	0.3
105.07010	0.5
108.08117	0.5
109.06518	0.5
111.04443	0.6
115.05400	0.6
117.07016	0.9
121.02856	0.4
123.04418	0.7
125.02351	0.8
125.06010	0.5
128.06230	0.5
129.06984	2.3
131.08568	1.0
138.09120	0.8
139.03960	0.8
141.07010	1.1
143.03603	0.4
143.08591	1.0
144.08063	0.5
145.06467	0.6
145.08856	0.5
146.09627	0.8
147.08095	0.5
149.02426	0.5
153.06973	0.6
155.08562	1.0
157.06487	0.4
158.09668	0.7
159.08081	0.8
165.07051	0.5
167.08624	0.8
170.09671	1.2
171.08044	0.6
172.11215	1.1
173.09566	0.4
176.10637	0.5
178.07816	0.5
178.12288	0.4
179.08615	1.2
181.06425	0.5
183.08165	0.6
186.09158	0.5
187.07605	0.5
191.08554	0.6
193.10210	0.6
195.08136	0.6
198.09181	0.6
201.09102	0.5
202.12308	0.6
203.08542	0.5
205.64388	0.4
207.08112	0.8
209.09621	0.5
211.07513	0.5
219.08112	0.6
221.09668	0.6
227.10568	0.4
233.09744	0.5
233.83748	0.4
239.10587	0.6
249.09192	0.6
263.10767	0.6
353.22501	0.4
362.15988	0.8
370.16644	0.7
373.46878	0.4
384.17874	0.5
388.17477	0.7
402.18988	1.0
406.18423	0.6
420.20135	5.1
429.67258	0.4
434.21933	0.6
438.21228	1.1
452.22769	11.7
453.22919	0.7
466.24457	0.4
470.23969	3.7
484.25253	2.7
502.26410	100.0
503.26703	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	502.2642
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
58.06588	0.7
61.99447	0.4
65.03894	0.4
70.68486	0.6
75.04469	1.3
85.02905	0.6
87.04459	0.4
91.05473	0.7
94.06558	0.8
95.04969	0.5
97.02879	0.5
100.07600	0.3
105.07032	0.5
108.08095	0.5
109.02852	0.3
111.04433	0.5
114.02262	0.4
115.05438	0.7
117.07025	0.6
121.02929	0.3
125.02372	0.7
125.05969	0.8
128.06232	0.5
129.06975	2.0
131.08578	0.6
135.07957	0.4
141.06981	1.0
143.08553	0.5
143.19197	0.4
144.08069	0.6
145.06468	0.4
146.09642	0.9
153.05472	0.4
153.06964	0.6
155.08575	0.7
157.06454	0.7
158.09618	0.5
159.08067	1.0
161.09705	0.4
165.06963	0.6
167.08588	0.7
169.06468	0.4
170.09647	1.4
171.07993	0.6
172.11165	1.0
173.09659	0.9
178.07780	0.5
179.08563	0.7
182.54692	0.3
183.08041	0.6
184.11340	0.4
188.10742	0.4
193.10110	0.5
195.08136	0.6
196.11182	0.5
200.10866	0.6
203.08714	0.4
205.10120	0.4
207.08124	0.4
209.09555	0.5
214.12328	0.7
221.09462	0.6
225.09004	0.4
231.08141	0.5
233.09715	0.7
237.08954	0.5
239.10887	0.3
251.10522	0.4
308.67374	0.4
370.16351	0.8
388.17642	0.6
394.18951	0.4
402.18958	0.6
406.18491	0.6
420.20135	5.3
434.21811	0.4
438.21185	1.3
452.22708	9.8
453.23132	0.4
466.24249	0.7
470.23666	2.8
484.25266	2.7
502.26389	100.0
503.26730	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	502.2644
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
56.05027	0.6
57.32727	0.3
58.06589	1.0
65.03942	0.3
69.03417	0.4
70.06577	0.4
75.04488	1.0
84.08136	0.6
85.02890	0.7
87.04486	0.4
88.07615	0.4
91.05473	0.6
93.03387	0.4
94.06554	0.5
95.04972	0.5
96.08140	0.3
97.02937	0.5
98.06081	0.4
105.06994	0.5
108.08071	0.6
109.02884	0.3
109.06504	0.4
111.04465	0.7
115.05460	0.4
117.07025	1.0
120.76293	0.3
121.02828	0.5
121.06531	0.3
123.04409	0.6
124.07662	0.3
125.02299	0.5
125.05974	0.7
128.06232	0.9
129.06976	1.8
131.08566	0.8
138.09122	0.4
139.03914	0.6
141.06987	0.9
143.08565	1.1
144.08055	0.3
145.06454	0.4
145.08842	0.4
146.09634	1.0
147.07945	0.4
149.06003	0.3
153.07007	0.3
155.08545	0.8
157.06535	0.4
157.08925	0.3
158.09637	0.6
159.08044	1.1
165.06972	0.7
167.08618	0.5
169.06444	0.3
170.09674	1.8
171.08075	0.7
171.10309	0.3
172.11192	0.9
173.09612	0.5
176.10634	0.3
178.07733	0.4
179.08577	0.9
181.06494	0.5
183.08118	0.3
185.05832	0.3
185.09660	0.4
186.09180	0.3
187.07579	0.5
188.10631	0.4
191.08586	0.5
193.10257	0.6
195.08022	0.7
200.10698	0.4
202.12299	0.5
203.08665	0.4
207.08076	0.4
209.09666	0.7
214.12280	0.4
219.08099	0.6
221.09608	0.8
231.08058	0.3
235.11018	0.4
237.09102	0.3
251.10727	0.4
267.10025	0.3
302.86557	0.3
326.13892	0.4
362.16125	0.6
367.55920	0.3
370.16556	0.6
388.17566	0.6
402.19138	0.7
406.18954	0.3
420.20129	5.0
422.21460	0.3
438.21280	1.2
452.22748	9.8
453.23016	0.6
466.24640	0.4
470.23877	2.4
484.25427	2.4
502.26404	100.0
503.16058	0.5
503.26740	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	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18403	0.3
65.44598	0.3
67.05482	0.7
69.03411	0.5
70.00066	0.9
73.02898	1.1
85.02826	0.3
91.05463	1.1
92.30525	0.3
97.02912	0.4
105.07017	1.3
111.02907	0.3
117.07050	0.6
119.08557	4.3
120.29274	0.3
122.52010	0.3
128.06161	0.9
129.06990	1.9
130.07742	0.5
131.08548	8.7
133.05045	0.3
133.10086	2.3
142.07693	0.4
143.08537	11.2
144.09331	2.6
145.10112	6.1
156.09354	0.4
157.10086	1.0
158.10887	30.7
159.11273	1.0
171.11655	0.6
173.13229	100.0
174.13583	2.2
219.39676	0.4
276.04135	0.3
311.05203	0.3
362.59842	0.3
370.62930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	5.9
58.06586	0.6
64.06444	0.4
74.06078	0.8
79.05470	0.9
80.60773	0.5
81.07063	0.6
85.02905	0.5
91.05451	0.9
93.07037	1.0
94.06548	0.7
96.08102	0.5
97.02872	1.4
105.07018	1.8
108.08131	0.6
116.07066	0.7
117.07037	0.9
119.04955	0.6
119.08556	0.9
129.06978	1.2
131.08554	1.5
132.08105	1.6
134.09615	0.6
141.07039	0.9
142.12288	0.5
143.08542	1.1
145.10144	0.7
146.09642	1.3
148.11191	0.6
155.08530	1.9
157.08878	1.9
158.09637	6.0
160.11192	0.8
162.09096	0.9
165.06976	0.7
167.08559	1.1
169.10083	1.0
174.09154	1.9
176.10765	1.1
179.08531	1.3
180.09380	1.0
181.10162	1.6
193.10199	1.8
194.10863	0.4
195.11731	1.9
207.11659	1.7
209.13341	0.8
216.10039	0.8
219.11678	0.9
221.13275	1.0
222.12646	0.8
233.13284	0.5
235.14801	1.2
245.12851	0.4
248.14291	0.6
263.14307	0.5
276.17596	1.2
287.05573	1.5
294.18420	3.4
299.05420	0.6
304.17004	0.7
306.43024	0.5
312.19586	0.9
322.18024	4.7
340.19101	1.9
354.20566	1.4
364.19083	0.8
382.20078	8.8
383.07663	0.6
383.20645	0.9
400.21164	3.0
456.27393	2.1
484.26892	21.5
485.27118	1.3
502.27945	100.0
503.28268	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	502.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03432	7.3
57.07066	13.8
57.07328	1.1
58.06607	1.2
59.04992	100.0
61.02928	2.2
63.26985	0.9
69.03423	18.5
69.07073	1.0
73.02899	5.9
79.05511	1.2
81.03436	1.1
81.07060	1.1
85.02898	19.6
86.06068	1.3
87.04456	11.1
91.05475	1.1
93.07025	1.0
97.02881	21.9
97.03471	1.6
98.09662	0.9
98.23436	2.0
105.07027	1.6
109.02869	1.4
115.03910	16.9
115.11185	26.3
115.11933	1.7
117.09129	2.0
127.03909	4.5
133.04944	17.5
133.10164	1.0
139.03922	1.1
145.04951	4.2
145.10144	1.6
163.05975	2.0
173.15379	4.0
181.10161	0.9
191.16385	62.6
192.16809	1.3
231.32092	0.9
241.07278	1.1
266.84131	1.2
270.46539	0.8
275.86801	1.0
276.17706	0.9
277.22159	1.2
287.05426	4.5
287.20108	1.1
294.18741	1.8
305.99762	0.9
322.17999	1.1
340.19171	2.4
364.58820	0.9
372.21725	1.9
382.20111	1.8
388.19867	2.7
392.85550	0.9
400.21182	5.7
411.50308	1.0
442.25937	1.9
484.27359	2.0
502.28085	34.6
503.28555	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	502.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01878	1.8
55.05513	11.5
57.03430	2.3
57.07069	2.8
57.28111	1.6
61.02917	2.8
65.03930	1.9
67.05498	96.9
69.03422	4.0
69.07063	15.0
71.04994	1.9
71.20644	1.8
79.05478	33.6
81.03395	3.5
81.07047	100.0
82.05005	1.6
83.08613	8.8
83.09025	1.5
85.02896	14.7
85.06527	2.3
85.76015	1.6
88.07587	1.7
91.05469	22.7
93.07034	35.3
95.04941	4.3
95.08594	77.8
95.41962	1.6
97.02880	7.4
97.06509	3.9
97.10160	3.9
105.07014	14.5
107.08582	21.6
109.06525	2.6
109.10145	44.4
117.07017	7.4
119.08549	15.5
121.10139	26.5
123.11691	24.5
127.03897	1.9
131.08554	16.7
131.76146	1.7
133.10110	13.2
135.11658	15.1
137.09685	2.8
137.13255	12.2
145.10117	10.8
147.11646	11.0
149.13252	12.5
151.11273	1.6
151.14835	3.0
159.11699	9.1
161.13254	9.5
161.21913	1.5
163.11177	2.8
163.14793	10.5
165.12729	5.0
171.11600	1.8
173.13228	10.9
175.14835	2.8
177.12695	2.9
177.16397	4.8
179.14433	1.9
187.14789	9.8
191.14212	2.4
201.16270	2.6
205.15903	2.2
228.23114	2.8
243.21060	23.0
251.10585	1.9
256.26270	3.2
261.22125	52.8
262.22681	3.1
264.16281	1.7
271.10315	2.2
294.12460	2.7
299.05966	1.9
323.25751	31.7
502.30652	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	502.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	10.4
69.03410	9.3
69.07040	3.7
69.90302	2.9
69.90641	6.8
79.05470	7.1
81.03402	3.7
81.07043	12.1
85.02882	18.5
91.05462	9.3
93.07042	12.7
95.08592	29.1
97.02884	13.6
97.65809	2.1
105.07014	11.8
107.08604	11.1
107.53889	2.5
109.02887	2.5
109.10138	31.6
110.86242	1.9
117.07031	4.7
119.08557	9.0
121.02793	3.3
121.10117	8.5
123.11654	4.5
127.03883	6.1
131.08543	5.7
133.10107	8.1
135.11688	16.6
139.03877	2.2
139.11171	3.1
143.08536	3.5
145.04980	5.5
145.06424	2.4
145.10120	4.8
147.11644	8.9
153.01790	5.9
157.04977	3.3
157.10069	2.8
159.11687	2.9
165.01765	3.7
165.12717	3.1
171.11673	3.5
173.13261	7.6
175.14752	3.1
187.14674	3.8
199.14781	3.6
201.16223	2.7
227.17787	3.2
229.19518	18.7
247.20467	3.0
257.22662	4.7
269.22586	25.3
275.23648	2.8
287.05441	100.0
287.23593	31.8
299.05713	4.2
305.24631	33.4
342.52142	2.4
472.11871	6.2
484.26321	3.4
486.13382	5.1
502.16641	15.8
502.27023	20.8
503.20999	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	502.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.7
57.03416	4.6
57.07071	4.4
58.52712	2.7
59.04993	5.2
61.02910	6.9
67.05501	3.2
69.03432	16.4
69.07077	5.4
77.10156	2.4
79.05463	6.9
81.03391	6.3
81.07035	9.4
84.42856	2.5
85.02404	5.8
85.02897	100.0
91.05467	7.4
93.07017	12.2
95.04903	3.3
95.08578	8.3
97.02861	20.1
99.04401	3.0
105.07005	9.5
107.08578	4.7
109.02844	8.3
109.10161	7.3
117.06995	5.7
118.03653	2.7
119.08575	5.0
121.02849	4.1
121.10104	6.3
127.03899	24.8
129.02299	2.6
131.08572	7.2
133.10115	5.2
135.11638	4.2
137.13179	4.4
143.08528	3.3
145.04922	27.8
145.10098	6.5
147.11644	5.5
149.13286	2.8
157.10146	3.6
159.11661	5.4
161.13245	3.8
163.05971	24.8
173.13245	6.7
175.14804	3.0
185.13219	4.0
187.14856	5.2
189.16269	3.6
199.14757	3.9
213.16339	6.0
220.05815	3.0
227.17798	3.3
233.70837	3.0
269.19705	4.3
269.22592	84.6
269.40103	2.9
270.23004	3.7
287.23645	32.0
299.05536	5.5
311.05389	4.6
329.06613	4.1
335.12308	2.5
335.67459	3.0
340.07678	3.3
340.11594	2.5
365.06332	4.7
383.07672	3.2
431.27719	6.8
449.28976	5.3
502.12726	8.1
502.28033	28.3
503.12225	2.8
503.20508	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	502.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10392	1.9
55.05507	8.8
57.03431	18.0
57.07069	39.8
59.04999	4.0
59.95404	2.5
65.03930	3.1
67.05497	94.4
69.07062	8.3
69.43357	9.8
71.04980	4.8
71.08620	27.5
79.05486	2.0
81.07050	22.9
83.08614	11.1
85.06535	3.9
85.10167	17.3
89.06007	7.8
91.05479	6.5
93.07011	4.9
95.08597	25.6
97.10169	6.3
98.22718	4.4
107.08576	2.9
109.10141	96.4
109.59726	2.2
119.08573	7.9
121.06485	3.2
123.11704	2.7
136.11275	2.6
137.09579	4.4
155.10663	4.5
173.11725	26.1
229.14316	100.0
230.14795	2.4
313.27319	99.2
314.27716	5.5
387.05014	2.4
439.67715	2.7
467.37277	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	503.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
59.43367	3.1
66.26086	2.3
69.03424	30.2
69.70345	7.0
73.02900	6.3
85.02899	30.4
91.05454	4.1
97.02879	85.8
97.03474	5.4
98.22802	4.3
107.08578	3.2
111.52369	2.5
112.88889	2.6
115.03905	54.3
115.04688	3.1
119.08571	6.2
121.02838	4.0
127.03902	4.8
138.34383	2.7
147.18968	2.8
157.04939	100.0
175.14821	4.3
287.05478	38.9
299.05585	10.3
365.06631	3.8
383.07211	3.9
522.37933	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	503.118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	27.0
74.08331	0.5
79.05503	0.6
97.02879	100.0
98.03215	1.0
98.23506	1.2
99.13495	0.5
106.99715	0.4
111.04456	0.5
115.03907	1.8
121.02843	1.7
146.02487	0.5
153.01849	2.5
154.92831	0.5
157.04936	7.6
165.01807	1.3
213.05608	0.7
217.07101	0.8
241.04961	0.6
258.05368	0.8
287.05466	56.8
288.05771	1.8
365.06662	1.1
464.14093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.1
55.05494	0.2
67.05481	0.4
68.99463	0.1
68.99775	0.7
69.03425	1.1
69.07030	0.3
79.05472	0.4
81.03407	0.2
81.07037	0.2
85.02877	0.6
85.06525	0.2
91.05455	0.4
93.07043	0.2
95.04955	0.3
95.08583	1.0
97.02882	6.1
102.04620	0.1
105.03375	0.4
105.07003	0.5
107.04945	0.3
107.08575	0.4
109.02854	0.2
109.10143	0.3
111.00777	0.8
111.04389	0.1
115.03909	0.5
117.06977	0.2
118.26202	0.1
119.08543	0.4
121.02848	3.0
121.03805	0.2
121.10130	0.3
122.52157	0.1
127.03902	0.3
129.07024	0.2
131.08553	0.4
133.02832	0.5
133.04953	0.2
133.06404	0.3
133.10115	0.2
135.04364	0.1
135.11629	0.1
137.02347	0.8
139.03865	1.2
143.08498	0.1
145.06494	0.3
145.10083	0.3
147.04410	0.6
147.08081	0.2
147.11661	0.3
151.04001	0.1
153.01796	4.5
155.08508	0.1
157.04933	1.3
157.06445	0.6
157.10149	0.2
159.07993	0.2
159.11668	0.2
161.06013	0.2
165.01804	2.0
169.10065	0.1
171.04398	0.2
171.11641	0.1
173.09560	0.2
173.13252	0.3
183.02840	0.8
185.05956	0.4
189.05493	0.2
194.02037	0.1
203.07047	0.2
213.05391	1.6
213.16254	0.1
217.07069	0.6
231.06465	0.8
241.04814	0.7
255.06494	1.1
256.83011	0.1
258.05197	1.2
259.05963	0.5
261.14816	0.4
269.04202	0.2
287.05450	100.0
288.05753	2.8
299.05481	0.2
311.05399	0.3
329.06415	0.1
340.28192	0.1
365.06555	0.3
368.04034	0.1
407.29608	0.2
425.30438	0.5
503.11658	0.4
503.20032	0.3
503.33945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47952	1.0
58.06588	2.4
62.22856	1.0
69.03424	15.7
69.07041	1.1
69.11189	3.9
69.11610	3.1
73.02910	1.3
78.25106	0.9
79.40918	0.9
81.07041	2.1
85.02882	4.1
85.78432	1.0
95.08622	0.9
97.02882	100.0
97.06522	1.3
98.22691	1.7
107.08514	2.0
112.39780	1.2
113.52667	1.1
115.03921	2.4
119.08592	1.1
133.10165	2.0
135.11603	1.1
139.02844	1.8
139.03882	26.2
145.10068	1.1
157.04939	16.3
173.13286	4.8
217.07039	9.1
287.05554	1.6
311.05457	1.2
341.26889	2.1
365.07101	1.2
435.84390	1.0
471.32822	1.0
503.28464	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2482
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
67.05482	2.2
69.03419	4.2
69.07057	2.1
69.13606	2.1
69.13811	3.7
69.14206	10.8
75.11909	1.8
79.05466	3.6
81.07037	2.9
91.05491	3.9
96.07145	1.9
107.08592	14.4
109.06488	4.4
109.10130	3.2
110.25639	2.1
116.92203	2.4
117.06979	2.6
121.10119	8.5
133.10106	100.0
135.08020	8.0
137.09596	47.6
149.13237	10.8
173.13188	5.7
180.89600	2.0
181.31161	1.9
191.14268	51.8
209.15329	23.0
344.77875	2.0
465.36639	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18673	2.7
50.59995	2.6
54.31879	2.4
55.01867	2.7
56.98724	2.4
58.06588	12.7
58.46732	3.2
66.99790	2.7
67.05473	2.9
69.07063	11.3
69.11689	11.6
69.12095	4.8
79.00303	2.3
79.05514	2.9
81.07047	4.1
82.45832	2.5
88.45708	3.1
91.05447	4.2
93.07024	7.8
105.06972	3.7
105.44328	3.1
107.08574	10.1
116.65257	3.2
119.08569	4.5
121.06493	12.6
121.10139	7.7
131.08556	3.6
133.10132	4.5
135.08078	4.1
135.11691	6.4
137.05966	2.6
147.11671	26.5
149.09506	3.2
149.13254	5.8
161.09607	3.6
165.83495	2.6
173.13206	7.7
191.14267	100.0
192.14594	4.1
209.15332	27.8
213.72653	2.7
225.86748	2.5
340.12531	16.2
493.87540	3.1
503.24484	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	503.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01864	3.2
55.05502	2.5
57.03429	5.8
58.06585	3.4
61.02914	4.8
65.03938	1.8
67.05487	2.8
69.03418	11.4
69.07036	1.8
69.61739	3.6
70.06587	1.3
71.01336	1.6
71.04983	3.9
72.32503	0.8
73.02905	25.0
73.04726	0.9
74.06049	0.8
78.61424	0.8
79.05495	1.5
81.03400	3.6
81.07044	2.4
83.04961	3.5
83.08602	2.0
84.08109	1.0
85.02889	17.1
85.06539	1.6
86.09686	1.9
87.04458	1.9
91.05463	2.8
93.07034	3.5
95.04956	100.0
95.08592	2.5
96.05279	1.2
97.02884	13.3
97.06482	1.5
98.23417	1.5
99.04443	22.5
103.03896	1.0
105.07019	3.0
107.04961	1.2
107.08569	3.2
109.02866	2.4
109.06504	1.5
109.10136	11.4
111.04420	1.1
111.08042	1.2
115.03943	5.6
117.06892	1.1
119.04889	1.0
119.08601	2.0
121.10133	3.6
123.04440	1.0
125.05978	1.7
127.03898	4.0
129.07016	1.1
131.08521	1.1
133.04959	5.4
133.10126	3.5
135.08051	4.3
136.07506	1.7
137.05923	3.9
139.11140	4.5
141.39778	0.8
145.04951	3.7
145.10075	1.1
147.04382	3.6
149.06042	1.1
149.13271	1.3
151.07512	1.6
151.11183	1.1
153.09082	30.6
163.05966	1.7
167.14355	1.3
173.13252	4.2
177.05461	2.2
177.09042	1.1
181.12224	3.5
185.08138	1.6
191.14357	4.0
195.10249	0.8
205.06993	1.1
207.07870	1.3
209.15337	55.6
210.15764	1.5
233.15297	2.4
249.05836	0.9
251.16489	0.9
263.16580	1.2
265.08615	2.7
267.12262	0.9
279.10132	2.7
280.10922	5.5
281.08051	3.5
291.10211	1.4
292.08212	0.9
296.10275	3.9
299.06149	1.3
305.11386	1.1
311.12695	6.0
315.14093	1.5
323.12476	3.1
335.18488	1.9
341.13422	4.7
341.19803	1.5
342.13269	1.4
342.16922	1.6
371.20612	7.2
451.25092	1.0
453.25555	3.1
473.17963	1.7
502.29044	5.0
503.21008	4.5
503.29257	33.0
504.22134	3.5
504.29648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2485
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03944	1.4
55.01859	4.0
55.05503	4.2
57.03420	7.3
57.07066	1.3
58.06582	1.3
59.05000	1.9
60.89806	1.0
61.02924	7.1
67.05502	3.8
69.03420	15.8
69.07057	3.9
69.44440	5.5
71.01335	2.1
71.04975	7.1
73.02909	38.6
79.05481	4.6
81.03408	3.1
81.07043	6.1
83.04964	6.9
83.08610	7.0
85.02895	23.7
85.06535	3.3
86.09706	2.4
87.04454	4.3
91.05479	4.0
93.07030	12.0
95.04956	100.0
95.08596	3.8
96.05304	1.9
97.02871	16.6
97.06532	3.7
98.06033	1.6
98.22709	1.5
99.04439	20.3
103.03920	2.4
105.07032	4.4
107.08582	12.2
109.02869	1.5
109.06479	6.0
109.10143	15.4
111.04464	1.4
111.08086	3.3
114.26162	1.1
115.03896	10.5
117.07003	1.4
119.08570	4.1
121.10122	24.7
123.08057	4.2
123.11681	1.5
123.46047	1.1
125.05977	2.2
125.09624	2.3
127.03922	6.0
131.08578	3.0
133.04930	8.1
133.10127	7.1
135.08041	11.9
135.11658	2.6
136.16789	1.0
137.05965	2.9
139.11183	4.9
145.04907	6.6
145.10107	1.2
147.04375	1.3
147.08188	1.1
147.11699	1.5
149.05917	1.4
149.09579	2.0
149.13237	4.1
151.07663	1.1
151.11172	4.1
153.09077	30.7
161.09743	1.4
163.05850	1.2
163.14767	5.8
167.14313	3.7
169.12239	3.0
173.13277	5.4
177.09122	1.6
179.45279	1.2
181.12219	6.5
185.08061	3.6
191.14261	10.5
195.10104	1.3
209.15338	67.0
210.15686	1.4
233.15359	4.7
235.25346	1.1
263.16171	1.4
275.16528	1.7
296.80069	1.3
305.17468	2.1
323.18369	1.6
326.24731	27.5
335.18439	2.4
342.13339	1.8
353.19476	1.7
371.20612	7.0
441.40903	1.3
503.21002	9.1
503.29190	2.3
504.29483	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	503.2483
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.86133	2.8
54.28820	2.5
55.01860	4.0
55.05496	6.2
57.03419	9.5
58.06571	4.5
60.17350	2.7
61.02922	7.9
61.97519	2.6
67.05492	6.0
69.03423	14.2
69.22673	5.3
69.23081	11.6
70.84775	2.7
71.04988	5.1
73.02903	43.6
76.04009	2.9
79.05495	5.6
81.03406	3.3
81.07047	5.3
83.04958	5.1
83.08576	4.8
85.02901	26.8
86.09705	6.9
91.05460	7.7
93.07032	9.4
95.04955	100.0
95.08621	4.9
97.02887	18.3
99.04443	19.0
105.07026	4.0
107.08578	12.4
107.29552	2.7
109.02882	3.2
109.06480	2.7
109.10123	10.5
111.08132	3.5
115.03891	13.0
119.08604	3.2
121.10126	26.7
123.08065	3.2
123.11715	3.0
123.49429	2.6
125.09574	4.2
127.03901	6.7
133.04915	8.0
133.10092	9.8
135.08020	13.9
137.05991	3.2
139.11160	5.4
145.04947	8.0
151.07521	3.1
151.11221	3.2
153.09077	32.7
155.10730	2.7
163.14777	7.9
167.14314	5.2
173.13261	8.3
181.12283	6.8
183.60550	3.0
191.14297	12.3
193.15895	3.2
209.15334	76.6
220.08755	3.0
233.15364	4.4
251.10641	10.8
279.10068	19.7
311.12631	15.8
314.02448	2.4
326.24637	15.7
341.19547	3.6
342.17117	5.9
371.20569	5.6
400.55847	2.9
503.21118	7.8
504.22086	10.5
504.29382	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	503.2483
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03931	3.4
54.54643	0.9
55.01864	11.4
55.05503	15.4
57.03177	1.3
57.03432	15.6
57.07071	4.7
58.06569	1.5
59.04992	3.7
61.02920	14.8
61.63735	0.9
61.88398	0.9
64.97514	0.9
65.03925	1.6
67.05504	6.9
68.13224	0.8
69.03058	1.9
69.03420	30.8
69.07059	8.2
69.80984	0.9
71.01349	4.5
71.04985	3.1
73.02908	100.0
74.03195	0.9
79.05482	14.3
81.03416	6.9
81.07047	27.1
83.04971	22.6
83.08608	23.6
85.02895	47.1
85.06538	3.2
86.09757	1.2
87.04454	5.6
91.03946	1.7
91.05461	14.4
93.07034	28.4
95.04956	59.1
95.08599	14.7
97.02879	32.5
97.06509	10.2
99.04440	11.3
99.08079	1.5
103.03930	8.9
105.07011	10.7
107.04929	4.2
107.08579	38.8
109.02895	5.0
109.06502	17.6
109.10146	17.6
111.04415	1.6
111.08078	8.4
113.05990	1.6
113.09628	3.1
115.03915	21.9
115.05356	1.8
117.05495	1.0
117.07001	5.6
119.04922	2.7
119.06074	1.2
119.08548	9.6
121.06506	6.9
121.10126	18.8
122.03636	1.4
123.04397	3.2
123.08060	9.3
123.11694	6.6
125.05979	10.5
125.09615	10.4
125.13253	1.3
127.03905	12.3
127.11173	1.6
128.06221	1.2
129.06917	2.0
131.08557	5.4
133.04936	12.8
133.06491	2.4
133.10104	11.4
135.08034	71.8
135.11646	2.3
137.05951	14.3
137.09576	2.2
137.13217	1.9
139.03856	1.0
139.07504	1.8
139.11147	16.3
143.07048	0.9
143.08530	1.3
144.05705	0.9
145.04926	12.1
145.06482	1.5
145.10103	4.1
147.04364	3.6
147.07991	3.7
147.11665	4.3
147.31531	0.9
149.05945	2.2
149.09624	7.8
149.13225	13.1
151.07523	4.3
151.11153	14.1
153.09097	22.6
155.06999	3.5
157.04962	3.4
157.06310	1.2
158.10815	2.2
159.07997	1.4
159.11684	1.6
161.05949	1.3
161.09654	1.6
161.13289	1.6
163.06024	1.5
163.07410	1.6
163.11151	2.7
163.14824	6.0
165.12746	1.7
167.07011	5.1
167.14296	19.5
169.12236	9.4
171.10158	2.3
172.05081	1.2
173.08090	4.1
173.09526	1.6
173.13246	10.7
174.06761	2.7
175.06004	2.4
175.07469	1.5
175.11165	2.0
175.14789	1.2
177.09032	2.3
177.12645	1.2
178.04955	1.3
181.12206	25.5
181.15791	1.6
185.08041	8.5
185.13165	1.1
187.07492	6.6
189.09116	3.4
189.12675	2.0
191.14275	25.3
195.10117	5.2
197.11620	1.3
199.05940	3.2
199.07620	1.2
201.09056	1.2
203.09067	2.9
203.14355	1.6
206.04390	3.1
207.13741	2.1
209.15341	57.9
210.15648	2.3
215.14342	1.3
217.06828	2.2
217.08759	4.6
219.08003	1.6
221.15308	2.3
231.08017	2.3
233.15294	9.7
235.08028	4.0
239.16371	1.1
241.07037	1.4
245.15337	1.6
247.07477	1.6
248.08302	2.6
251.10590	1.7
251.16260	1.3
261.08911	1.2
261.14752	1.2
263.10583	2.4
263.16333	5.0
264.07813	1.2
271.09555	1.3
275.16336	5.7
276.08008	1.9
279.10019	3.1
291.10086	4.4
292.10376	1.1
295.15347	3.6
296.10376	2.0
305.17380	2.2
311.12607	4.4
313.16275	2.3
315.14297	1.6
317.17426	3.0
323.12714	9.8
323.18515	3.6
326.24771	1.7
335.18521	8.6
341.13715	3.8
341.19452	4.6
353.19571	5.9
371.20563	10.7
485.23535	1.5
503.20135	9.0
504.28928	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53167	3.0
53.03938	7.0
55.01861	7.0
55.05508	24.1
55.05754	4.9
58.06581	4.2
61.34208	2.9
62.43162	3.0
65.03926	5.7
67.05497	100.0
69.03416	4.0
69.07059	18.7
70.06566	2.8
71.04977	10.5
77.03924	3.1
79.05047	4.1
79.05481	67.5
81.03407	7.3
81.07047	83.0
83.04964	8.0
83.08616	10.1
85.06522	8.7
88.07627	4.1
91.05455	61.6
91.14225	3.1
93.07032	78.9
95.04960	18.3
95.08588	34.1
97.06506	4.8
99.04418	4.0
99.08069	5.1
105.07014	65.5
107.08585	56.1
109.06503	9.5
109.10143	81.7
111.08118	3.7
117.07006	11.0
119.08563	27.8
121.06578	2.7
121.10124	36.6
123.11663	16.3
125.09573	4.5
127.07575	3.6
131.08559	13.8
133.10114	92.6
135.11655	19.4
143.08551	4.3
145.10072	13.3
147.11659	10.7
149.09622	3.9
149.13208	8.2
151.11143	43.0
157.10100	6.6
159.11642	12.3
161.13187	4.9
163.11185	3.9
167.05577	4.2
169.12216	8.6
171.11656	4.5
173.11734	4.8
173.13222	7.6
175.14818	3.3
185.47734	2.9
193.12157	4.9
200.20055	7.1
215.12802	3.8
215.17892	15.1
233.18997	16.0
253.14307	62.6
271.15198	7.3
275.20047	13.8
289.21442	3.8
299.06015	4.2
411.28711	4.0
429.30185	4.2
485.32507	12.1
503.33691	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.6
58.06573	0.8
59.07140	0.3
61.02892	1.1
69.03426	2.9
69.24737	0.9
69.25139	1.5
73.02886	0.6
73.25896	0.4
81.03384	0.9
85.02894	6.0
97.02843	1.6
99.04412	0.5
109.02863	0.9
127.03860	1.5
145.04890	0.7
147.04428	0.4
179.08536	0.4
191.08488	0.7
194.07281	0.7
205.06419	0.5
207.08012	0.7
208.08768	0.7
209.09505	0.9
219.08058	1.1
220.08693	0.7
221.05894	0.9
221.09595	0.9
222.06734	0.6
223.11194	0.4
224.08328	0.5
225.09183	2.1
233.05847	1.2
233.70830	0.4
235.07478	1.1
236.08290	2.9
237.09058	15.9
237.11473	0.8
238.09602	0.7
247.07553	0.8
248.08412	0.5
249.05377	1.0
249.09065	1.4
250.09702	0.5
251.10690	2.9
252.07735	1.0
253.08554	8.6
254.08797	0.6
263.06943	1.8
264.07709	1.8
265.08548	52.5
266.08942	2.0
267.06750	0.9
267.10117	1.6
268.10886	1.2
279.10077	4.3
280.10889	100.0
281.08075	41.3
281.11237	4.0
282.08630	2.3
284.10406	1.0
295.09579	0.7
296.10370	53.1
297.10687	1.6
299.12918	1.0
309.11356	0.4
311.12708	87.5
312.13040	2.8
326.24738	1.3
329.12943	0.4
342.16907	0.5
447.24637	0.4
473.17999	23.0
474.18396	1.1
504.22214	30.2
504.28961	2.0
505.22696	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07440	0.4
58.06595	65.0
59.06944	0.6
65.02326	0.4
69.03408	0.8
69.34511	2.4
70.06600	0.9
72.08134	0.8
74.81796	0.5
80.15757	0.5
85.02881	0.9
86.09676	0.9
95.04948	1.0
98.97595	0.7
115.56991	0.5
147.04387	1.1
152.03432	1.4
165.07053	1.0
166.07695	0.6
178.07735	0.7
179.08560	2.2
181.10165	1.4
190.07800	0.8
191.08554	6.9
194.07315	1.2
205.06485	2.6
207.08066	4.7
208.08867	1.5
209.09636	4.2
218.07349	0.6
219.08002	5.6
222.06744	7.9
223.07574	0.7
223.64980	0.6
224.08481	0.5
233.05963	1.8
235.07526	2.0
236.08334	2.0
237.09056	9.9
239.06950	1.1
247.07564	2.1
250.06357	1.6
251.07233	0.7
251.10681	1.8
252.07721	0.7
255.10153	1.1
263.07034	1.0
264.07788	1.2
265.08569	34.7
266.09195	1.9
267.06516	2.4
267.10147	1.6
269.11728	0.9
275.06924	0.5
279.10120	6.0
280.10751	0.8
281.08090	0.8
281.11581	0.5
282.08804	13.4
282.11813	0.7
284.10440	2.0
289.08533	0.5
291.06839	0.6
296.10400	0.8
297.11169	39.0
298.11612	1.7
299.12714	5.5
306.08881	1.5
311.12851	2.1
342.16956	100.0
343.17310	4.0
459.16364	0.7
504.22302	37.5
504.28787	1.5
505.22552	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	64.6
67.95023	0.6
69.03436	1.7
69.51983	2.8
77.46126	0.8
81.03400	0.9
85.02878	3.7
87.88180	0.6
97.02886	2.2
98.97565	1.0
122.04212	0.7
127.03918	0.7
135.08115	0.9
137.05995	1.3
161.06007	1.1
180.00577	0.8
210.15053	0.9
211.07593	1.4
217.05054	1.0
219.07942	1.0
223.07521	4.3
233.06059	0.8
235.07478	1.8
236.08260	1.3
237.09079	2.1
239.07050	3.2
239.57866	0.6
247.07668	1.0
249.05446	1.4
249.09081	1.0
250.06267	1.2
251.06990	10.5
251.10701	1.4
253.04974	1.6
253.08659	2.7
264.07806	1.1
265.08569	9.1
266.09332	52.9
267.06519	25.6
267.09769	2.8
268.07144	2.6
279.10114	4.4
280.10999	3.2
281.08051	1.7
282.08823	40.9
283.09457	2.4
293.06491	0.8
296.10345	2.0
297.11172	55.2
298.11533	1.5
311.12753	3.6
324.12820	0.8
326.24673	6.1
342.13345	1.9
342.17062	4.0
459.16476	16.8
504.22250	100.0
504.29324	8.1
505.22754	5.9
534.41815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07440	0.4
58.06595	65.0
59.06944	0.6
65.02326	0.4
69.03408	0.8
69.34511	2.4
70.06600	0.9
72.08134	0.8
74.81796	0.5
80.15757	0.5
85.02881	0.9
86.09676	0.9
95.04948	1.0
98.97595	0.7
115.56991	0.5
147.04387	1.1
152.03432	1.4
165.07053	1.0
166.07695	0.6
178.07735	0.7
179.08560	2.2
181.10165	1.4
190.07800	0.8
191.08554	6.9
194.07315	1.2
205.06485	2.6
207.08066	4.7
208.08867	1.5
209.09636	4.2
218.07349	0.6
219.08002	5.6
222.06744	7.9
223.07574	0.7
223.64980	0.6
224.08481	0.5
233.05963	1.8
235.07526	2.0
236.08334	2.0
237.09056	9.9
239.06950	1.1
247.07564	2.1
250.06357	1.6
251.07233	0.7
251.10681	1.8
252.07721	0.7
255.10153	1.1
263.07034	1.0
264.07788	1.2
265.08569	34.7
266.09195	1.9
267.06516	2.4
267.10147	1.6
269.11728	0.9
275.06924	0.5
279.10120	6.0
280.10751	0.8
281.08090	0.8
281.11581	0.5
282.08804	13.4
282.11813	0.7
284.10440	2.0
289.08533	0.5
291.06839	0.6
296.10400	0.8
297.11169	39.0
298.11612	1.7
299.12714	5.5
306.08881	1.5
311.12851	2.1
342.16956	100.0
343.17310	4.0
459.16364	0.7
504.22302	37.5
504.28787	1.5
505.22552	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01851	0.5
55.05505	3.0
57.03424	1.0
58.06587	0.4
61.02913	1.2
61.28795	0.3
65.03916	0.6
67.05512	2.2
67.15835	0.3
69.03428	2.5
69.07063	4.2
69.68491	0.6
69.68885	0.5
70.06567	1.0
71.01331	0.3
71.04957	0.4
71.51671	0.3
73.02903	5.5
77.03912	0.3
79.05476	2.1
81.07045	4.7
82.46413	0.3
83.08591	0.9
85.02893	5.2
91.05466	13.5
92.05771	0.3
93.07023	3.6
95.04966	0.9
95.08597	8.7
97.02879	4.5
99.04425	0.4
100.67249	0.3
103.03901	0.3
103.05437	1.1
104.06257	0.7
105.07018	18.4
106.07360	0.4
107.08579	17.1
109.02879	0.5
109.06514	0.5
109.08894	0.3
109.10152	2.1
115.03914	2.7
115.05408	0.6
117.07004	5.2
119.08562	100.0
120.08892	2.0
121.10132	1.7
127.03904	2.3
131.08582	1.1
133.04930	2.7
133.10109	9.0
136.74098	0.3
145.04912	2.5
145.10104	0.6
147.11676	2.0
150.07597	0.4
153.01794	0.4
153.54768	0.3
161.13258	1.5
163.05957	1.8
173.13211	0.5
175.14790	28.0
176.15155	0.9
187.14775	0.4
212.06534	0.3
223.05891	0.8
241.07037	0.8
259.08081	1.5
262.64645	0.3
287.05457	3.4
288.05798	4.7
295.10123	1.0
458.56827	0.3
464.55768	0.3
504.23569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05499	5.9
57.03434	1.2
58.06585	0.7
65.03914	0.8
67.05500	2.6
68.37455	0.6
69.03408	2.5
69.07059	10.4
70.06594	1.0
73.02907	5.5
79.05481	2.7
81.07046	5.3
83.08611	4.1
85.02890	6.8
91.05466	13.2
93.07030	3.1
95.04922	0.9
95.08591	8.3
97.02882	3.5
103.05444	1.3
105.07016	20.9
107.08579	16.1
109.02863	1.1
109.06504	1.3
109.10150	3.0
115.03908	2.3
117.07002	6.0
119.08563	100.0
120.08913	2.1
121.10117	5.7
127.03910	2.1
131.08516	2.4
133.04945	3.7
133.10112	26.4
134.10452	0.9
145.04951	2.1
145.10071	2.1
147.11662	4.3
159.11667	0.7
159.62155	0.7
161.13232	1.4
163.03864	1.7
163.06010	2.6
175.14796	83.3
176.15121	2.0
223.05983	0.9
241.07095	0.9
259.07977	2.1
265.08493	2.2
271.17017	0.6
280.10764	3.9
281.08060	1.5
295.10135	2.2
296.10260	2.1
310.10373	0.7
311.12613	3.0
449.39545	0.8
473.17719	0.8
504.21362	0.8
504.28287	1.4
533.73083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03431	0.4
56.05009	0.9
56.96544	0.6
58.06598	2.1
63.88340	0.4
67.05466	0.4
69.71449	1.1
70.02202	0.3
74.06084	1.8
78.45236	0.3
79.05462	0.6
81.07024	0.8
88.17845	0.3
91.05457	0.5
93.07033	0.6
95.04913	0.5
95.08577	0.7
98.06012	1.4
98.23378	0.7
98.97577	2.2
100.07574	0.7
102.09126	0.5
105.07011	3.1
107.08548	0.7
109.10103	0.4
110.51062	0.3
116.98563	0.6
119.08569	0.5
131.08502	1.3
143.08514	0.6
145.10037	0.5
155.08499	0.9
157.10062	0.8
158.99606	0.5
164.10704	0.3
169.10025	0.5
176.14337	0.6
177.00632	0.6
178.12309	0.6
181.09966	0.4
183.11722	0.5
190.15775	0.4
192.13763	0.5
195.11646	0.6
206.15395	0.6
207.06531	0.4
207.16150	0.6
208.16904	0.6
209.13322	0.5
211.06555	0.4
217.04890	0.4
225.07909	0.5
229.07410	0.5
238.15858	0.7
266.09262	1.1
266.18936	0.7
267.09134	0.7
279.10110	0.7
280.20517	0.5
282.08792	0.6
282.18600	0.5
282.22073	0.7
283.18839	0.4
296.09406	0.6
297.11264	1.2
311.12680	0.5
325.13202	2.1
326.24728	100.0
327.10880	0.5
327.25058	4.3
342.13254	1.7
342.17029	0.7
342.24185	2.2
343.14200	0.8
350.63098	0.4
385.15320	0.5
445.17487	0.4
471.22589	0.4
487.38815	0.4
504.22852	3.6
504.29468	97.2
505.19522	1.0
505.29892	6.2
526.05109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.7
57.07059	6.6
58.06596	7.1
67.05500	73.3
67.91141	4.7
69.07063	12.3
79.05491	67.7
81.03423	6.9
81.07046	74.0
82.07362	6.1
85.02876	9.0
85.06544	10.0
91.03977	6.1
91.05477	40.1
93.07030	88.9
93.64223	5.5
95.04980	11.2
95.08607	62.3
97.10176	7.3
99.08115	10.0
104.80862	4.9
105.07042	32.0
107.08575	43.7
109.06484	5.7
109.10166	35.0
111.08073	6.0
112.65348	6.4
117.07036	16.2
119.08584	27.8
121.09342	9.3
121.10126	64.2
123.11713	17.9
131.08542	35.4
133.10107	33.0
135.11697	57.3
145.10098	27.9
147.11670	19.2
149.13217	32.6
157.10136	6.2
159.11652	30.7
161.13229	5.3
173.13232	31.1
175.41248	5.2
177.12666	7.7
187.14777	9.6
202.70865	6.2
205.19478	11.3
215.17941	100.0
233.18947	79.8
241.12990	5.9
307.22681	14.3
325.23660	19.3
341.20959	10.8
351.81018	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	505.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82773	0.3
58.06598	0.7
63.38570	0.4
67.05488	0.7
67.73395	0.4
69.03416	1.1
70.62807	0.7
73.02905	0.8
79.05484	0.4
81.03415	0.6
81.07039	0.8
83.04958	0.5
85.02880	1.1
86.09676	0.4
87.04461	0.4
91.05473	0.6
93.07022	0.4
95.04946	1.2
95.08586	0.6
97.02906	1.0
99.08072	0.7
105.07023	0.4
109.10113	2.2
113.84686	0.4
115.03912	0.5
117.03343	0.4
119.04845	0.5
133.10106	1.2
135.08092	0.4
137.05949	0.7
137.09642	2.0
142.41283	0.4
145.02893	0.6
156.07164	0.3
167.09023	0.4
177.05479	0.9
182.44974	0.4
193.15898	2.7
199.41522	0.4
204.23776	0.4
207.34340	0.4
211.16908	1.2
253.12746	0.4
277.44308	0.4
293.12112	0.6
311.13004	0.5
317.08401	0.5
326.13965	0.4
326.24854	1.1
327.24945	0.9
335.09793	0.5
373.18243	2.5
378.80188	0.4
481.76266	0.4
505.22452	100.0
506.22717	4.3
506.30835	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2251
Annotation	Lys Glu Asn Asp
Peak:m/z	Relative Intensity
54.11212	0.4
58.06591	1.5
61.92318	0.4
69.03423	0.7
84.08135	0.5
85.02908	1.3
91.05474	0.9
97.02907	0.7
107.04964	0.8
110.06051	0.5
110.20654	0.4
119.04968	0.7
127.03931	0.4
134.21173	0.4
138.05507	0.7
147.04448	1.3
163.03955	0.4
173.02417	0.6
173.18239	0.4
175.03928	0.6
178.05031	0.6
190.05002	0.5
195.10191	0.4
206.04529	0.5
207.06532	0.9
213.16135	0.4
252.64806	0.4
253.09998	0.5
280.10748	0.6
289.68161	0.4
293.12360	0.7
309.06070	1.0
317.08447	0.5
327.25198	0.8
335.09430	0.6
343.13181	1.4
343.24490	0.7
373.18237	6.3
382.02338	0.4
504.29578	1.7
505.22528	100.0
505.29514	7.4
506.22827	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	505.2638
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
55.05505	6.3
56.45201	2.1
57.07061	2.3
58.06596	2.8
59.04992	2.0
61.15403	2.1
67.05491	15.8
69.03422	8.3
69.07055	13.5
71.04996	4.2
73.02908	2.8
79.05487	2.6
80.59038	2.4
81.07065	14.7
83.04956	10.6
83.08619	2.2
85.02901	5.2
85.06534	3.0
91.05484	4.3
93.07035	7.7
95.08606	28.6
97.02891	3.3
103.03971	2.9
105.07051	5.0
107.08584	22.0
109.06520	8.4
109.10139	81.3
111.08073	3.6
111.92889	2.5
119.08559	33.3
121.10140	11.9
123.08067	11.4
123.11712	7.5
127.03900	4.2
128.51862	2.3
133.10114	19.1
135.11670	100.0
137.09586	11.4
139.11191	2.8
149.02336	8.8
149.13237	8.0
150.02650	2.8
151.11160	5.9
151.14799	9.6
163.03900	3.8
164.04257	3.8
165.16371	3.8
175.14803	39.9
181.04979	2.8
182.05354	2.7
193.15865	65.7
211.16895	99.5
214.72522	2.2
316.32312	2.3
343.22745	2.7
373.22083	3.0
500.51303	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2638
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.05500	1.8
57.03411	1.8
58.06603	0.9
67.05493	2.1
69.03400	2.2
69.07057	2.0
69.98880	2.2
79.05453	1.2
81.07050	5.3
83.04969	1.8
83.08612	2.2
85.02886	5.3
85.06538	0.8
91.05470	1.5
93.07052	1.3
95.08596	9.1
97.06520	1.4
98.23316	1.1
105.07007	1.5
107.08584	6.0
109.06502	1.3
109.10148	15.4
111.08066	7.1
115.38783	1.2
119.08553	8.3
121.10117	4.2
123.08070	7.0
123.11702	2.4
125.09562	1.0
127.03927	1.1
133.10123	9.9
135.11667	10.0
137.09596	17.7
138.10347	1.4
145.04979	1.1
147.11649	1.1
149.13210	3.2
151.11142	1.2
151.14809	2.0
165.12677	2.7
175.14804	14.7
180.74857	0.9
181.12180	1.0
193.15855	12.6
211.16898	100.0
212.17232	2.9
296.03067	1.0
368.85965	1.0
373.22095	1.6
506.30743	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01863	0.9
55.05502	15.0
57.03433	1.4
57.07065	4.3
58.06583	1.0
65.03936	2.5
67.05490	27.1
69.03410	2.4
69.07054	34.6
69.47540	2.5
71.04994	1.6
71.08613	2.2
73.06530	1.2
77.03893	1.6
79.05476	17.5
80.11040	0.9
81.07043	46.7
83.04939	1.5
83.08595	6.4
85.02889	1.1
85.06521	2.3
91.05457	15.0
93.03375	1.3
93.07026	17.8
95.04957	4.8
95.08588	64.8
97.06507	2.7
97.10134	2.1
105.03342	1.1
105.04472	1.6
105.07005	40.3
107.04909	4.5
107.08568	20.2
109.06492	9.7
109.10133	38.5
111.08062	1.7
111.11694	1.9
112.16877	0.8
115.05438	1.5
115.19849	0.8
117.06989	7.3
119.04929	6.1
119.08554	22.5
121.06487	29.2
121.10120	10.9
123.08027	10.3
123.11678	6.2
125.05994	2.7
128.06204	3.6
129.06982	7.8
130.07776	4.2
131.07635	1.6
131.08540	18.1
133.06470	9.9
133.10098	13.3
135.08029	17.6
135.11668	3.0
137.05978	1.1
137.09615	1.9
137.13246	2.8
139.11160	1.5
141.06967	3.6
142.07771	3.8
143.08540	16.5
144.09299	1.9
145.06436	10.2
145.10094	24.5
147.08014	13.5
147.11664	11.6
149.09581	7.2
149.13303	1.5
151.07486	1.6
151.14836	4.6
153.06897	1.2
153.12744	1.0
154.07761	1.1
155.07355	1.3
155.08499	7.0
156.09230	1.0
157.06485	3.3
157.10117	13.1
158.07246	1.8
159.08028	18.0
159.11661	14.9
159.87338	1.0
161.08327	1.7
161.09589	14.6
161.13223	4.8
163.11172	1.8
163.14787	3.1
165.07040	1.5
165.09106	1.3
165.16362	8.2
167.08528	3.3
168.09306	1.3
169.10092	8.1
170.10867	1.9
171.08009	8.3
171.11668	12.5
172.08821	1.5
173.09586	46.3
173.13193	6.4
174.10185	1.3
175.11145	22.4
175.14796	3.1
177.16309	1.2
179.08524	3.2
179.17867	1.1
180.09344	1.7
181.10124	4.8
182.10915	1.9
183.08069	2.9
183.11653	7.4
184.08777	2.1
185.09584	9.2
185.13217	10.3
186.10384	1.2
187.09598	1.4
187.11150	18.9
187.14774	3.4
189.09138	0.9
189.12733	6.5
193.10135	1.7
194.10983	1.6
195.08011	1.1
195.11681	6.7
196.12471	2.0
197.09648	3.0
197.13237	4.9
198.10345	3.0
199.11159	5.1
199.14807	6.0
200.11952	1.3
201.12735	11.0
201.16315	2.0
203.14308	3.7
206.10887	1.9
207.11624	1.9
208.12505	1.2
209.09584	1.2
209.13199	3.7
210.10268	1.3
211.11206	2.4
211.14789	3.2
213.12694	20.8
213.16362	2.5
214.13120	1.6
215.14281	5.7
215.17908	1.0
217.15910	2.8
221.13229	2.5
223.14732	2.9
224.11992	1.3
225.12740	2.7
225.16302	2.1
227.14265	16.2
229.15816	4.6
231.13748	19.0
235.14708	1.2
237.12782	1.4
237.16402	1.9
239.14258	6.7
239.17917	1.8
241.15787	2.3
243.17317	1.2
245.15356	12.3
247.14783	2.0
249.14674	7.7
251.17978	1.4
255.17390	1.2
257.15378	4.8
257.22540	2.9
259.16821	1.4
261.14633	6.3
263.16339	23.1
265.18027	1.3
267.21063	2.0
269.19135	1.1
271.16943	1.5
271.20398	2.1
275.16351	20.2
277.17865	10.8
279.17432	2.4
281.19147	1.3
285.22028	19.2
285.24872	0.7
287.05582	1.2
287.19714	1.1
288.05756	1.3
289.17935	6.2
291.19620	4.2
297.18372	2.8
299.19983	2.9
301.17841	4.1
303.19421	6.1
315.19485	30.0
315.23135	2.0
316.20044	1.6
317.21039	20.6
329.21033	9.2
331.22577	4.5
335.92865	1.1
343.22598	5.6
345.24063	4.8
353.24796	2.5
357.24033	3.2
359.25858	1.4
371.25684	3.9
373.28912	1.5
391.30054	4.2
409.30954	12.7
427.31989	100.0
428.32370	5.8
445.33087	9.9
487.34116	21.8
488.34879	1.1
505.35376	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.7
57.07070	4.3
58.06579	1.9
65.03909	2.1
67.05158	2.0
67.05498	29.6
69.03419	4.3
69.07059	30.7
69.13365	9.8
71.04987	2.4
71.08591	2.0
79.05492	14.3
81.07050	44.6
82.08604	1.5
83.04937	1.7
83.08607	7.9
85.02911	1.5
86.92937	1.4
91.05466	22.0
92.05793	2.5
93.07032	20.1
95.04940	4.6
95.08594	56.4
97.02843	3.4
98.22707	3.8
103.05446	2.2
105.03373	1.8
105.07020	38.8
106.07344	3.8
107.04930	3.5
107.08575	25.1
108.08891	3.2
109.06496	7.2
109.10141	33.4
111.08067	2.1
111.11675	2.2
115.03915	3.3
117.06986	10.4
119.04935	3.6
119.08566	54.4
120.08906	19.2
121.06486	26.4
121.10136	10.8
123.08048	9.5
123.11692	4.8
128.06209	4.6
129.06990	6.6
130.07701	2.7
131.08556	16.3
133.04971	3.3
133.06450	8.3
133.10126	16.1
134.10445	3.5
135.08029	12.9
135.11690	2.0
137.09619	2.1
137.13225	1.9
139.07596	2.4
139.11148	2.6
141.07048	2.5
142.07779	2.8
143.08545	12.8
145.06476	6.5
145.10095	22.3
147.08002	13.6
147.11688	10.5
149.09587	4.9
149.13237	2.6
151.14781	4.4
153.06978	1.7
155.07027	1.8
155.08530	5.6
156.09317	3.2
157.10146	12.8
159.08035	13.6
159.11673	12.1
160.08722	2.3
161.09595	12.3
161.13240	4.6
163.14778	1.8
165.16389	3.9
167.08365	1.8
169.10115	7.3
171.08031	7.3
171.11676	8.0
173.09598	41.0
173.13226	7.5
175.11179	23.5
175.14771	11.9
176.15125	10.3
177.16412	1.9
179.17937	2.3
181.10098	3.8
183.08034	1.9
183.11653	4.7
185.09624	7.0
185.13255	7.3
187.11174	13.7
187.14777	2.4
189.12703	6.5
195.11647	5.4
197.09694	2.0
197.13264	6.4
198.10356	2.0
199.11183	4.6
199.14734	3.6
201.12750	9.6
201.16330	2.6
203.14447	2.7
206.11015	1.8
209.13194	6.9
211.14803	4.7
213.12723	17.2
213.16339	2.7
215.14320	4.9
223.14799	2.3
225.12747	3.3
225.16322	2.4
227.14233	11.5
229.15771	3.7
231.13693	16.5
239.14293	4.9
239.17831	2.3
241.15968	2.1
245.15405	11.3
249.14822	6.6
257.15356	4.6
257.22601	2.5
259.16940	2.4
261.14798	3.8
263.16364	24.6
269.18839	1.8
271.20618	3.1
275.16357	19.8
277.18002	11.2
285.19006	2.6
285.22028	16.8
289.17996	5.0
291.19550	2.8
297.18503	3.3
301.17908	4.0
303.19492	2.9
315.19449	27.8
317.21039	18.0
329.21051	6.5
331.22632	5.0
333.24448	2.3
343.22617	5.1
345.24271	4.2
353.24725	2.2
357.24313	2.3
359.25488	3.6
371.25757	4.0
391.29745	5.2
409.30981	13.9
427.32010	100.0
428.32309	4.6
445.33115	9.3
487.34351	21.1
501.42636	1.9
505.23511	2.0
505.35040	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	506.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63984	0.8
57.03426	1.5
58.06591	5.6
61.02921	1.2
69.03420	4.6
69.76105	1.0
70.06583	8.1
71.04984	1.1
72.08142	2.0
75.30775	0.9
81.03412	1.6
84.08111	1.1
85.02898	9.6
86.09650	1.1
89.06019	4.5
91.05452	2.1
94.65597	1.0
95.04960	1.9
97.02879	3.2
99.04504	1.0
103.05460	1.6
105.07014	1.3
112.07584	2.4
115.05425	6.8
117.07064	1.1
119.04922	2.6
121.06482	1.2
127.03879	1.9
129.06990	1.7
131.04884	1.9
133.08594	3.0
140.07011	2.0
141.06923	1.2
143.04910	15.2
145.02827	1.8
145.06435	2.5
147.04370	5.7
147.08113	1.1
149.05930	2.4
153.05457	1.2
157.06500	1.3
159.04440	1.5
160.05188	3.9
161.05945	13.7
163.07605	1.2
164.07004	1.2
169.06416	1.6
171.04405	12.3
175.07501	24.9
176.04739	1.8
177.05458	11.3
178.04985	2.9
179.07089	1.2
187.07518	2.7
189.05472	7.7
189.58601	1.0
191.07001	7.8
199.07599	2.0
201.05479	2.6
201.09108	1.2
203.06992	51.9
205.04868	1.7
205.08498	1.6
206.04431	3.2
207.06529	2.1
212.04523	1.4
215.07045	2.8
217.04837	6.5
217.08536	2.4
219.06497	3.5
220.05258	1.3
221.08052	3.4
227.06958	6.6
229.08554	3.2
231.06488	10.3
245.07986	7.7
247.06041	2.4
249.07533	100.0
250.07884	3.0
251.02496	1.1
261.07547	2.1
263.06821	5.3
263.09213	2.8
273.07523	12.9
280.10843	1.7
281.08078	1.6
281.10968	2.3
282.08466	1.5
282.11441	1.5
291.08545	9.1
295.09567	3.7
297.10980	1.5
308.19910	2.4
309.06146	1.7
309.09491	7.2
311.12558	1.4
312.12894	1.3
313.13269	1.6
326.13879	1.6
326.21048	24.8
327.20212	3.4
328.26196	2.6
341.09946	1.1
344.18027	2.2
344.22125	31.8
345.22540	2.0
372.14069	1.5
488.26266	6.5
506.16324	1.9
506.26743	14.0
507.19098	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
57.03410	1.0
57.11747	0.5
58.06597	16.7
58.06873	0.6
61.02894	1.9
65.03905	0.7
65.35213	0.6
69.03423	4.2
70.94895	0.9
81.03381	1.8
85.02895	14.1
89.03889	2.4
91.05466	9.1
91.64796	0.6
97.02872	4.1
99.04424	0.8
101.30630	0.7
109.02855	1.2
117.03376	4.3
119.04929	21.8
123.04438	1.5
127.03863	2.6
131.08516	0.7
145.02832	9.1
145.04922	4.4
147.04388	100.0
148.04745	2.5
149.05943	1.8
163.05984	1.0
165.05466	39.8
166.05769	0.9
167.08586	0.6
175.07639	1.5
177.05446	20.5
178.65233	0.7
180.08717	1.3
183.08063	0.7
189.05438	0.6
197.06036	0.7
203.06992	1.5
211.07506	1.7
221.05968	1.4
223.56535	0.7
225.05403	1.3
231.06644	1.4
238.06265	1.0
239.07036	4.9
249.05312	1.2
249.07729	3.3
251.07230	0.8
253.08684	1.7
266.05627	0.9
267.06445	5.7
267.08875	0.7
268.07175	0.9
269.08212	0.7
273.07492	0.9
281.08060	5.0
284.06696	1.4
299.09091	5.6
309.09714	2.4
326.10400	0.8
327.56796	0.6
344.11356	0.9
344.22369	1.6
461.14246	2.8
465.72955	0.6
506.20377	23.3
506.27859	5.6
507.20407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	4.4
57.03419	22.5
58.06568	5.1
59.04977	6.3
60.04494	3.8
60.26943	3.4
64.34320	3.0
67.05515	3.5
69.03056	5.2
69.03422	81.4
69.07053	4.3
75.04454	3.5
80.82088	3.0
81.03400	6.3
81.07043	5.5
85.02893	60.9
87.03962	4.7
87.04458	58.6
91.05464	4.9
93.07033	4.3
95.04908	3.3
96.40880	2.7
97.02880	63.2
99.04464	3.4
105.03385	12.3
109.10159	3.7
115.03107	6.2
115.03915	87.0
119.08559	4.2
127.03880	5.2
133.04951	100.0
137.09628	4.6
145.04919	7.1
150.07602	26.6
165.09134	6.6
167.08588	11.5
177.06979	9.3
191.08556	24.3
195.08023	77.9
199.07521	3.5
219.08012	40.3
221.32188	3.5
231.08018	13.8
233.09587	6.8
237.09042	16.8
241.06982	3.4
245.09549	3.7
259.07986	5.1
261.09122	6.4
273.09100	13.3
291.10092	10.5
320.73874	3.1
425.44073	3.2
428.32947	3.8
488.29819	7.2
506.21426	13.8
506.30878	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	506.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
56.96552	3.5
58.06587	2.9
69.03406	1.6
69.69415	3.0
69.69750	1.1
70.06556	2.0
73.06545	1.1
81.03379	1.3
85.02881	6.2
87.04453	3.7
89.06020	100.0
91.05436	1.5
95.42221	1.0
97.02892	1.3
98.22665	2.2
98.97568	8.5
106.36013	1.0
107.07072	1.6
116.98589	3.7
121.06589	1.2
127.03914	1.0
131.07005	1.8
133.08591	57.6
134.99657	1.2
158.99686	2.4
161.05934	1.2
177.00601	1.8
177.05481	1.6
177.11208	18.1
203.06985	2.0
221.13808	4.6
226.08356	1.5
229.07457	1.3
239.14790	4.3
243.08855	1.0
249.07561	3.0
254.08093	1.0
283.17484	4.1
284.12457	2.6
325.13107	1.1
326.13589	4.6
326.21112	2.2
327.20068	65.0
328.20776	1.2
328.25449	2.4
332.21313	1.1
343.13962	1.0
344.14468	2.5
344.21948	1.3
390.34290	1.0
431.49683	1.0
446.17612	2.3
464.18286	1.7
506.19214	2.0
506.25589	0.8
506.30936	6.9
507.20041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43399	0.2
57.03406	0.3
58.06595	19.6
59.06929	0.3
61.02923	0.3
67.05505	0.6
69.03436	1.0
70.06572	0.7
70.14160	0.5
70.14499	0.2
71.04955	0.3
72.08149	1.8
73.02911	0.3
79.05492	0.4
81.03391	0.4
81.07049	0.5
84.08141	0.5
85.02901	1.1
86.09656	0.3
91.05471	2.7
93.07034	1.0
95.08611	1.2
97.02885	0.7
98.09685	0.4
98.97592	0.3
105.07014	1.4
107.08589	0.5
109.02841	0.3
109.10130	0.2
112.07578	0.7
112.34816	0.2
115.05497	0.3
117.03411	0.2
117.07051	0.4
119.04926	5.1
119.08582	0.9
127.03891	0.3
129.06975	0.5
131.08539	1.3
133.10118	0.4
135.08049	0.2
139.61029	0.2
140.07039	0.4
143.08540	0.9
145.10097	0.7
147.04388	27.0
147.11684	0.5
148.04759	0.9
151.07550	0.4
153.05412	0.5
153.06750	0.2
155.08559	0.4
156.22916	0.2
157.10101	0.4
159.11684	0.3
165.05470	0.8
165.06873	0.3
167.08540	0.3
169.10107	0.3
171.11682	0.4
173.09570	0.2
173.13290	0.4
177.05467	0.7
178.05014	0.4
181.10135	0.4
183.11722	0.3
195.11708	0.4
202.31569	0.3
203.07089	0.3
206.04510	0.4
206.10974	0.3
209.13342	0.3
217.03346	0.3
227.07104	0.3
235.14796	0.5
239.07109	0.4
249.07632	0.6
282.22220	0.7
291.08640	0.4
300.23178	5.1
309.09772	0.9
326.17621	0.7
328.26312	19.4
329.26678	1.0
344.18536	0.2
344.22177	0.4
344.25842	2.3
449.17105	0.3
506.31094	100.0
507.20340	0.4
507.31448	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	506.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01857	0.5
56.05017	0.7
57.03429	1.1
58.06590	11.7
61.02915	1.3
65.03947	0.2
67.05487	0.8
69.03422	4.0
70.79903	0.4
71.04986	0.7
72.08140	1.9
73.02889	0.9
79.05471	1.4
81.03403	1.4
81.07049	1.8
82.06554	0.5
83.01328	0.3
84.08132	1.1
85.02892	5.1
86.09687	0.3
87.04450	1.3
91.03938	0.5
91.05443	1.3
93.07024	1.9
93.72071	0.2
95.08588	1.1
97.02876	2.9
98.09677	3.4
99.04436	0.8
101.02403	0.2
105.07025	1.7
107.08571	1.6
109.02851	0.7
109.06528	0.6
109.10111	0.5
110.09673	1.8
117.06992	0.7
119.08555	1.1
121.10162	0.3
122.09660	1.6
123.08058	0.5
124.11201	2.5
125.12014	0.4
127.03883	1.2
128.06230	0.2
129.06985	0.7
131.08548	1.1
133.06491	0.4
133.10091	0.9
135.08029	3.9
135.11661	0.2
137.05939	0.4
138.06342	0.3
141.06984	0.6
142.07744	0.3
143.08504	1.1
145.04918	0.4
145.10095	0.9
147.08130	0.4
147.11714	0.7
148.11043	0.2
149.09584	0.2
154.50476	0.2
155.08568	0.9
157.10139	0.6
159.08055	0.2
159.11676	0.8
162.12727	0.3
169.10094	1.1
171.11693	0.8
173.13350	0.3
175.11147	0.2
179.08478	0.2
181.10138	0.4
183.11670	0.6
185.13242	0.6
187.58676	0.2
193.10139	0.3
195.11769	0.2
196.30424	0.2
197.13254	0.3
201.12779	0.2
207.11636	0.3
209.13263	0.3
216.17421	0.4
225.16522	0.2
243.17377	0.4
263.17847	0.3
265.19510	0.4
280.20572	0.5
281.18777	0.2
298.21661	0.8
308.23657	5.4
309.23959	0.4
310.25085	0.3
326.24716	21.3
327.25122	0.7
344.25793	0.7
365.68713	0.2
398.26910	0.2
419.16196	0.2
470.28165	0.2
488.29965	9.5
489.30307	0.6
506.31049	100.0
507.31433	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	506.3109
Annotation	14-Acetylperegrine
Peak:m/z	Relative Intensity
53.03931	0.4
55.05487	0.4
56.05028	1.0
57.07061	1.1
58.06592	9.4
58.65552	0.3
59.04990	0.6
67.05475	0.5
69.03413	0.9
70.06587	2.5
70.57842	0.8
71.04980	0.9
72.08150	1.0
74.56394	0.4
79.05484	1.4
80.05013	0.4
81.03413	0.5
81.07043	1.5
83.05008	0.4
85.02888	1.6
85.06511	0.5
86.09666	0.6
91.05447	2.7
93.07038	1.4
95.04971	0.7
95.08617	0.9
97.02877	0.6
98.09680	1.5
99.04441	0.4
102.09168	9.2
103.05424	1.0
105.07028	2.2
107.08566	1.0
108.08113	3.0
109.02837	0.7
109.06523	0.5
109.10166	0.4
110.09687	0.6
115.05432	0.5
117.07030	1.8
119.08554	1.4
120.08061	0.6
121.06555	0.9
121.08885	0.5
122.09655	0.8
123.11639	0.4
124.11214	0.4
127.03955	0.6
128.06190	0.6
128.10623	0.4
129.07005	1.5
131.08556	1.7
133.10112	0.6
135.08011	2.2
136.00238	0.4
137.05995	0.6
137.09579	0.4
139.55060	0.4
141.06999	1.2
143.08557	1.7
145.10097	0.7
152.10722	0.5
153.06911	0.4
155.08580	1.6
157.10107	0.8
158.09644	1.2
159.08023	0.7
160.11160	0.7
161.09618	0.9
165.06989	0.7
167.08562	1.4
169.10170	1.2
172.11165	1.1
173.09540	0.5
174.12781	0.5
176.57713	0.4
178.07811	0.7
179.08553	1.8
181.10129	1.0
185.09734	0.7
191.08525	1.2
193.10139	1.2
195.11722	0.4
195.13756	0.7
196.11281	0.4
197.09637	0.5
202.07790	0.6
203.08542	0.9
204.09412	0.7
205.10110	1.4
206.11018	0.5
207.11629	1.3
213.83650	0.4
217.10123	0.9
219.11641	1.0
221.13284	0.5
230.10901	0.5
233.13222	1.0
235.14835	0.8
236.14487	0.7
245.13306	0.6
246.13208	0.4
247.14821	0.7
251.14366	0.7
265.15872	0.8
278.18973	0.5
290.18857	0.9
294.18433	0.7
303.04855	0.7
322.21579	1.3
326.21222	1.3
340.22916	0.6
344.25394	1.4
350.21143	0.6
354.24210	0.8
382.18869	0.6
382.23767	11.3
383.23911	0.8
386.23227	6.6
414.26321	39.4
415.26544	2.2
432.27475	0.8
446.28973	16.9
447.29437	0.9
461.15665	0.5
474.28360	3.7
488.30099	1.7
498.57562	0.5
506.31073	100.0
507.31543	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	506.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.0
57.03422	5.5
57.07066	12.5
60.08151	15.5
61.02909	6.2
65.94804	4.5
67.05495	84.3
69.07047	24.6
71.07348	5.6
79.05491	28.5
81.07040	92.1
83.08624	12.7
85.02924	6.1
85.06512	7.9
86.09690	51.0
91.03923	4.9
91.05479	24.8
93.06999	31.7
95.08601	70.3
96.82648	6.2
97.06527	10.2
97.10145	6.2
98.22668	15.5
99.08113	5.9
104.10728	100.0
104.11787	5.1
105.07016	17.3
107.08559	15.8
109.06493	5.3
109.10113	29.9
113.09614	7.2
119.08581	20.1
120.09018	5.4
121.10120	21.4
123.11711	14.5
124.99995	29.2
127.11230	7.7
133.10114	22.5
135.11667	17.3
137.13248	18.2
147.11658	11.6
151.14815	15.0
161.13226	18.6
175.14769	5.9
184.07314	99.7
215.25415	5.4
217.19478	79.9
235.20526	81.7
309.24200	43.2
327.25214	6.3
379.34821	4.7
471.29797	6.8
488.30997	7.0
506.32333	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	507.1129
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.66774	0.2
53.03738	0.2
53.03938	2.6
55.01851	0.9
57.03418	1.0
61.02905	1.0
65.03912	0.3
68.99793	0.7
69.03420	10.3
69.07037	0.2
69.28906	1.2
71.04971	0.6
73.02887	1.0
81.03403	14.5
82.03726	0.3
85.02892	5.5
94.99481	0.2
95.04888	0.3
95.08573	0.3
96.30141	0.2
97.02875	4.5
99.04448	2.1
105.06989	0.3
109.02866	8.1
111.00769	1.0
115.03858	0.3
121.02833	1.2
121.10211	0.2
123.04398	0.3
125.26360	0.2
127.03893	7.2
137.02324	3.4
137.05898	0.3
145.04956	1.0
145.06448	0.4
149.02336	0.6
153.01810	4.5
155.04854	0.4
159.60628	0.2
161.05905	0.4
163.03880	0.9
165.01801	2.5
166.02631	0.4
171.80525	0.2
177.16338	0.4
182.96248	0.3
183.02844	0.7
183.04282	0.3
187.04198	0.3
187.05992	6.5
201.05402	2.5
205.07010	0.3
219.06378	0.4
228.04121	0.3
229.04924	4.8
230.05142	0.2
247.05992	0.8
257.04370	3.3
274.04691	0.7
275.05295	0.3
285.03842	1.2
286.04538	0.3
303.04935	100.0
304.05231	3.4
345.05881	0.3
368.42056	0.3
448.13559	0.3
480.04095	0.3
506.30838	0.4
507.31259	0.2
508.29404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1127
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
51.46200	0.2
53.03931	1.0
55.01860	0.5
57.03419	0.8
61.02916	1.5
65.03918	0.2
68.99763	0.7
69.03422	5.0
71.01323	0.3
71.04973	0.9
73.02905	2.9
81.03409	3.8
85.02887	8.9
93.03384	0.4
94.74264	0.3
95.08611	0.4
97.02876	3.3
99.04432	1.2
103.03928	0.6
105.03366	0.3
109.02864	2.6
111.00776	1.2
113.73178	0.3
115.03909	0.6
119.08543	0.3
121.02834	1.2
123.04368	0.4
127.03886	6.3
133.04951	0.6
137.02322	3.7
144.91882	0.3
145.04953	2.3
153.01791	4.5
163.03833	0.6
165.01808	2.7
173.05937	0.6
183.02856	1.0
183.04366	0.4
187.04167	0.5
187.05983	3.9
195.02728	0.3
201.05444	2.3
205.05185	0.3
205.07063	0.9
207.02809	0.3
219.06601	0.3
229.04919	4.9
247.06068	0.8
249.82634	0.3
257.04367	3.4
266.63522	0.3
274.04694	0.8
285.03897	1.1
289.37463	0.3
303.04929	100.0
304.05267	4.1
326.82837	0.3
341.06790	0.4
411.06952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1127
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03898	4.0
69.03416	32.8
69.07057	5.2
69.71795	4.3
69.72157	5.4
79.05461	4.2
81.03416	13.2
81.07039	10.5
85.02889	42.9
90.98587	2.9
91.24818	3.5
95.08600	6.4
97.02877	38.9
98.22717	4.5
99.04446	10.4
105.07026	5.4
109.02864	100.0
109.10130	3.2
127.03899	51.9
139.03883	4.3
145.04919	14.5
153.01762	3.7
169.04982	9.6
187.06013	13.1
205.07104	20.0
229.04803	4.3
303.04956	89.5
303.08484	5.0
304.05276	3.5
345.05777	3.8
388.24884	7.8
406.25671	6.2
463.61832	3.3
508.32614	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	507.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63288	0.4
57.65924	0.4
65.25053	0.4
69.03419	0.7
70.06582	100.0
70.42862	0.6
71.06911	0.7
81.03405	1.5
97.02866	0.8
109.02876	3.4
112.07588	86.9
113.07937	1.5
116.07076	1.8
127.03922	0.4
132.04437	5.9
136.33095	0.5
140.07043	57.6
141.07425	1.0
158.08107	10.3
162.05490	0.5
178.04965	50.4
179.05334	1.0
190.04948	0.5
198.82973	0.4
206.04459	61.6
207.04779	1.7
212.09062	0.8
230.10086	0.8
266.10217	3.1
266.86023	0.4
284.11203	7.2
302.12201	0.9
319.80054	0.5
507.15741	0.9
507.23666	1.3
507.30945	0.8
530.12415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56506	0.8
55.05494	6.5
57.03435	5.6
57.06808	1.4
57.07070	18.0
67.05494	16.7
69.07063	5.7
69.53061	0.9
69.53410	3.8
71.08254	1.3
71.08622	12.5
79.05473	6.8
81.03403	1.1
81.07047	13.9
83.04943	1.0
83.08598	5.0
85.06531	1.0
85.10164	5.1
89.06052	0.9
91.05472	3.8
93.07033	7.5
95.04956	1.6
95.08593	12.7
96.08196	0.8
97.06506	1.5
97.10146	4.7
105.07023	2.9
107.08591	4.7
109.06541	0.9
109.10141	9.0
111.08029	0.9
115.03625	1.4
117.07035	1.1
119.08596	2.8
121.10132	3.0
123.11712	1.8
125.09605	2.7
131.08540	2.0
133.10101	2.2
135.11632	2.2
137.13324	1.0
145.10132	1.3
147.11705	1.6
149.13274	1.3
159.11752	1.3
173.11755	1.5
173.13240	1.5
174.98557	1.0
176.99210	4.7
189.11227	1.1
195.00267	100.0
212.99904	1.1
227.12779	1.6
229.14348	4.5
233.15469	1.1
243.21019	1.3
248.47807	1.1
261.22119	3.1
275.20087	1.4
313.27335	25.5
335.25696	3.4
435.57376	1.2
489.35388	2.7
505.73495	1.0
507.26648	10.4
507.33636	1.2
507.36407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2796
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
53.03948	1.8
55.05501	7.0
56.94440	2.0
57.03432	6.5
61.02927	2.6
62.42696	2.1
65.42125	2.0
69.03407	9.4
69.07063	6.8
69.23757	3.6
69.24165	7.8
73.02899	10.1
79.05478	5.4
81.07056	10.6
83.08623	6.0
85.02901	21.7
85.06516	3.6
90.33660	1.8
91.05478	2.8
92.62971	1.8
93.07044	11.2
95.08592	23.3
97.02900	15.0
97.10160	3.6
97.99561	2.2
99.08104	8.6
106.55819	2.3
107.08582	25.0
109.02909	2.7
109.10150	5.9
111.08060	4.2
115.03930	2.9
121.10125	39.0
123.11705	3.7
125.09621	2.3
126.93254	2.2
127.03899	4.9
133.04970	6.4
135.11693	7.6
135.55501	1.9
137.13287	5.0
145.04967	6.1
149.13239	4.0
163.06053	3.0
177.16364	100.0
178.16821	2.7
195.17415	16.9
213.18437	31.5
213.20285	3.0
261.47418	2.2
311.41922	1.9
474.72000	2.2
507.24060	2.5
507.31314	7.5
508.28644	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	507.2924
Annotation	Ixabepilone  
Peak:m/z	Relative Intensity
55.05481	1.1
57.03423	0.6
58.06580	0.8
58.27315	0.6
63.79888	0.6
67.05485	2.0
67.29901	0.7
69.67637	0.8
69.91386	1.6
81.07039	1.7
83.08618	0.8
84.98970	0.6
86.09688	1.2
93.07042	1.2
95.08599	1.7
98.23422	0.9
104.10738	1.9
104.44901	0.6
105.07013	0.8
107.08622	0.7
109.10183	1.6
120.28756	0.7
124.99989	1.2
154.90233	0.6
184.07355	2.6
211.09035	0.6
221.15277	0.8
309.17081	0.7
466.07401	0.7
477.08304	0.8
507.29205	100.0
508.29193	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	507.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.4
57.07074	8.5
59.06959	4.7
67.05501	26.3
69.03440	7.0
69.07072	45.2
69.13497	28.0
71.05013	5.0
77.27077	4.9
79.05489	11.1
80.53994	4.8
81.07047	100.0
83.08595	25.5
85.02884	11.7
85.06541	18.5
91.05464	7.3
92.49561	4.7
93.07031	25.1
95.04980	7.2
95.08602	60.1
97.06520	11.0
97.10191	5.5
99.08077	13.3
105.03362	14.6
105.07019	7.5
107.08595	25.3
109.10176	31.3
111.08077	15.8
111.11691	12.3
119.08611	8.2
121.10123	18.5
123.11666	32.6
135.11725	9.8
137.13261	31.0
149.13243	29.5
153.12701	22.1
155.14297	6.9
160.81259	4.8
163.14813	9.2
167.14320	6.1
253.87303	6.1
279.98450	5.1
291.26801	22.0
309.27890	42.7
327.28882	10.6
345.29684	5.8
507.21695	17.7
507.31030	7.3
508.32465	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	508.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66264	0.2
65.08310	0.2
69.23643	1.2
77.24940	0.2
85.02881	0.3
96.84872	0.2
98.23527	0.5
107.04916	0.7
109.02914	0.2
122.03603	0.3
137.04939	0.3
137.05957	4.7
143.04901	0.7
147.06750	1.6
148.07500	0.4
166.08618	0.7
175.06256	8.9
176.07018	5.8
189.07704	0.6
190.08597	100.0
191.09232	5.5
204.10207	0.6
205.06450	0.5
227.31242	0.3
237.09004	1.7
250.06158	0.3
265.08551	1.6
279.68195	0.3
297.10999	0.4
311.11179	0.3
328.15381	34.1
329.15817	1.4
343.89490	0.2
456.38336	0.3
468.07321	0.2
499.68475	0.3
503.92654	0.3
504.74289	0.2
508.21747	1.4
508.28909	0.3
524.57361	0.3
529.06976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2691
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
50.44012	0.4
51.02364	0.7
53.03934	0.8
55.05510	0.6
56.05020	0.5
58.06586	4.1
59.04946	0.5
64.32059	0.4
67.05483	1.4
69.03407	0.7
69.07057	0.6
69.33561	1.2
69.33974	1.2
70.06564	0.5
71.04981	4.9
71.98217	0.4
72.08138	1.4
73.28819	0.4
74.82170	0.4
77.03907	0.8
79.05480	1.5
81.03411	0.6
81.07066	0.6
83.05032	0.5
88.07596	0.5
91.05473	1.4
93.07038	0.6
93.43534	0.5
95.04942	3.4
95.08640	0.7
96.08116	0.5
97.02888	0.5
97.06541	1.3
98.09692	0.8
98.23467	0.8
105.03378	23.1
105.04489	0.9
105.07011	0.9
107.08583	0.8
108.08105	1.0
109.06503	1.6
111.04457	0.5
115.03932	0.4
117.05853	0.4
117.06973	0.8
121.06528	0.6
121.49879	0.4
129.06976	1.3
131.08556	0.6
133.06517	0.4
141.06932	2.2
143.08545	0.7
153.06915	0.7
155.08568	1.8
158.09624	0.7
160.11258	1.3
164.10693	0.4
165.06990	1.0
165.09117	1.7
166.07861	0.6
166.09338	0.8
167.08566	1.4
169.10139	0.6
172.11218	0.8
178.07773	1.1
179.08521	3.9
180.13899	0.6
181.06445	0.8
181.10121	0.6
183.07993	0.8
184.11217	0.9
190.07756	0.7
191.08618	0.9
193.10123	2.1
195.08043	1.0
204.09276	0.7
205.10133	1.5
207.11685	1.5
209.11714	0.5
210.12866	1.2
212.14449	0.5
219.11725	0.9
221.09634	1.1
221.13319	0.5
222.12762	1.0
223.11220	0.4
223.13524	0.7
224.14360	1.1
226.12123	0.6
229.10150	0.4
230.15408	0.6
232.16937	0.9
234.12767	0.7
236.14404	0.9
237.12875	0.5
237.15173	0.6
238.15753	0.5
240.13850	0.5
242.15359	0.7
247.11166	0.6
248.14339	0.4
250.15913	1.6
252.13847	0.5
258.14688	0.4
266.15402	0.6
267.16037	0.5
268.17010	1.7
280.17017	0.8
282.18369	2.1
292.16937	0.7
294.18524	1.0
296.16391	0.8
298.18393	0.8
298.21741	1.8
308.19986	2.6
310.17847	0.8
321.31732	0.5
322.18198	1.6
324.19586	1.3
326.21048	2.8
336.19653	0.6
342.20526	0.8
354.20541	13.0
385.98831	0.5
386.23230	1.1
388.19022	1.3
390.20615	2.3
402.20828	2.9
404.22052	4.9
416.22412	0.8
418.20105	1.4
428.22278	1.0
430.23709	2.0
434.23383	0.6
444.21814	2.5
446.23151	6.3
448.24744	4.9
458.23312	1.4
460.25253	0.8
462.26340	10.4
462.32349	0.8
474.22806	1.0
476.24240	7.7
478.25739	2.7
480.27444	2.2
490.26224	1.1
506.25314	0.5
508.26941	100.0
509.27374	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	508.29
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.06595	1.3
61.02920	0.3
65.17318	0.2
65.86920	0.2
67.05497	0.4
69.03418	1.3
69.07057	0.3
69.74265	0.3
69.74615	1.0
70.06591	0.9
71.05002	0.4
72.08146	0.5
73.02879	0.2
77.60139	0.3
79.05476	0.8
81.03419	0.5
81.07056	0.6
83.10169	0.3
84.08150	0.4
85.02882	1.9
85.08241	0.3
87.04489	0.5
91.05470	0.7
93.07050	0.8
95.04965	0.4
95.06264	0.3
95.08625	0.4
97.02882	1.1
99.04427	0.3
105.07018	1.0
107.08624	0.3
108.08162	0.4
109.02871	0.6
112.07610	0.7
117.07034	0.6
119.04953	0.8
119.08586	0.8
120.08115	0.4
121.06529	0.4
125.42717	0.3
127.03886	0.7
129.07076	0.4
129.10265	0.3
129.98045	0.2
131.08578	0.7
133.10168	0.3
137.05988	0.5
143.08565	0.4
144.08073	0.3
145.10146	0.5
147.04398	0.3
167.07233	0.3
175.06261	0.5
178.04985	0.3
179.05344	0.3
183.71402	0.3
189.12767	0.3
190.08601	6.1
191.09235	0.5
195.11546	0.3
206.04494	0.7
207.13855	0.4
213.09142	1.2
237.53259	0.3
249.07669	0.8
250.07971	0.4
251.08199	0.5
251.18102	0.4
255.67172	0.3
300.19562	0.5
310.18176	0.4
310.21576	0.5
328.15579	3.1
328.19110	0.5
328.22562	6.6
329.16022	0.3
330.20499	0.3
346.13034	0.5
346.20068	0.9
346.23651	7.7
377.53778	0.3
508.29117	100.0
509.29459	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	508.2901
Annotation	Deltaline
Peak:m/z	Relative Intensity
50.87107	0.4
56.05013	1.0
58.06593	12.0
60.08157	0.4
60.16743	0.3
65.03895	0.3
67.05481	0.6
68.04978	0.3
69.24837	1.5
70.06576	0.6
71.04965	1.0
72.08142	3.9
72.30641	0.3
79.05476	0.7
80.05006	0.5
82.06576	0.3
84.08132	1.5
84.53229	0.3
85.02888	1.3
85.06535	0.3
90.20827	0.2
91.05462	2.2
93.07044	0.8
94.06546	0.7
95.04928	0.6
96.08112	0.7
98.09660	1.6
102.09168	3.3
103.05424	0.5
105.07043	1.1
107.04955	1.0
108.08099	5.7
109.06509	0.6
110.09670	0.4
115.05461	1.0
115.18527	0.3
117.07014	1.1
119.04897	0.5
119.08591	0.4
121.06510	0.7
121.08884	0.5
122.09648	7.3
123.07987	0.5
124.11207	3.9
125.06007	0.3
125.11974	0.4
128.06207	1.3
128.10672	0.5
129.06978	3.2
131.04858	0.4
131.08545	2.3
134.09625	0.5
135.08000	0.5
137.05951	1.2
141.06992	1.9
142.07745	0.3
143.08554	1.7
145.06477	0.3
145.10097	0.4
146.09619	0.4
147.08015	0.3
151.07567	0.6
152.10652	1.9
153.06952	0.9
154.07791	0.3
154.12245	12.0
154.18059	0.3
155.08539	1.8
157.06427	0.4
157.08942	0.4
157.10118	1.1
158.09685	0.3
159.08047	0.3
160.11099	0.3
161.09599	0.4
164.10680	0.3
165.06953	1.4
166.07779	0.6
167.08563	1.9
168.09207	0.4
169.10117	1.4
171.08032	0.4
171.11789	0.4
172.11197	0.9
173.11870	0.3
174.12781	1.6
178.07756	0.9
179.08534	1.6
180.09250	0.5
181.06468	0.4
181.10138	1.8
183.08040	0.4
183.11722	0.6
184.11206	0.3
185.09613	0.6
186.12782	1.1
187.13509	0.7
188.14363	0.4
191.08568	0.7
192.09253	0.6
193.10071	1.6
195.08078	0.4
195.11743	1.3
197.13356	0.3
199.13567	0.5
200.14276	1.7
201.15031	0.4
202.07748	0.3
202.12349	0.4
203.08632	0.4
204.09329	0.6
205.10129	1.5
206.10907	0.8
207.11642	1.7
209.13243	0.3
211.11235	0.4
212.14374	0.7
213.15140	0.6
216.09380	0.3
217.10097	0.4
219.11653	0.9
221.13217	1.1
223.11325	0.5
224.14229	0.4
231.11659	0.9
233.13255	0.5
235.11078	0.4
245.13239	0.3
249.12683	0.9
251.14240	0.3
253.15877	0.3
255.13805	0.5
261.12637	0.3
263.14355	0.6
267.13864	0.7
281.15302	0.5
306.18573	0.8
324.19736	0.7
338.21149	1.4
352.22717	0.6
356.22006	0.4
366.20688	1.2
370.19919	0.7
370.23935	1.1
384.21539	0.5
388.24658	0.4
398.23178	6.4
399.23306	0.5
412.24771	1.6
430.25848	16.5
431.26147	0.9
448.26828	1.4
472.26480	0.6
490.27957	4.3
491.28409	0.5
508.28995	100.0
509.29343	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	508.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56506	0.4
53.03952	0.5
55.01853	0.7
56.05028	2.9
57.03421	0.6
57.07075	2.2
58.06597	6.8
61.02925	0.7
67.05514	0.5
69.03416	5.7
69.07079	0.5
70.00792	1.4
70.03747	0.8
71.04984	1.0
72.08139	2.5
79.05501	1.5
80.05000	0.4
81.03404	2.6
81.07040	1.2
81.95612	0.5
82.03741	0.4
84.08128	1.1
85.02898	6.2
86.03222	1.3
88.07610	0.6
91.05473	2.8
93.07021	1.2
95.04996	0.5
95.08600	0.7
96.08112	0.5
97.02885	5.5
98.03209	1.3
98.09685	1.0
98.23402	0.5
99.04467	1.8
102.09144	2.3
105.03340	0.5
105.07027	1.6
106.34195	0.4
107.04982	0.6
107.08549	0.6
108.08109	4.9
109.02870	13.2
110.03188	4.6
115.05441	0.5
117.07007	1.7
119.04935	0.7
121.06498	0.8
122.09669	2.6
123.04395	3.5
124.11205	1.4
127.03895	7.7
128.04260	2.5
128.06198	0.8
128.10663	0.7
129.06995	2.5
131.08557	2.8
137.05943	0.8
138.02766	0.4
139.03914	0.5
141.06972	1.1
143.08560	1.9
145.04961	1.9
145.10114	0.9
145.93510	0.4
146.05217	0.7
152.10744	0.7
154.07776	0.5
154.12245	5.2
155.08542	1.6
157.10161	1.1
165.06908	0.6
167.08582	1.4
169.04993	1.4
169.10158	1.2
170.05296	0.5
172.11235	0.6
174.12782	0.5
179.08594	0.9
181.10120	1.1
183.11546	0.6
186.12766	0.9
187.06039	1.9
188.06404	0.5
191.08504	0.9
193.10065	0.8
194.77437	0.4
205.06992	2.2
205.10147	0.9
206.07385	1.2
207.11615	1.1
214.15921	0.5
219.11810	0.7
221.09648	0.6
233.13316	0.6
296.16489	0.8
303.05020	6.3
304.05273	10.6
305.05710	0.8
324.19604	3.4
328.19046	1.1
330.20792	0.5
338.21323	0.5
356.22134	8.9
360.21558	0.6
370.23788	0.9
387.05283	0.5
388.24774	22.7
389.25366	1.3
406.25790	13.9
407.26022	0.8
456.50635	0.6
490.31476	7.9
508.32669	100.0
509.33023	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	508.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03400	0.4
58.06593	48.8
61.02921	0.3
67.05499	0.3
68.99291	0.3
69.03407	0.8
69.55080	1.4
70.06580	0.4
71.56454	0.3
72.08141	1.0
73.55507	0.4
81.23254	0.3
85.02911	1.3
91.05473	0.4
93.07073	0.5
95.08629	0.4
97.02904	0.9
107.08595	0.4
111.26958	0.3
116.70457	0.3
117.07088	0.3
119.08567	0.5
121.10141	0.4
122.13012	0.3
131.08560	0.4
133.10126	0.5
135.11665	0.4
137.05972	0.4
178.04985	0.6
180.06561	0.7
190.08624	0.7
197.11745	0.8
206.04553	0.8
223.04837	0.3
223.07159	0.4
235.11923	0.3
271.20596	0.5
310.24573	0.4
326.24973	0.4
327.25006	0.9
328.25562	1.9
346.27307	0.7
347.12399	0.4
490.30350	0.6
508.32602	100.0
509.32977	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	508.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.5
56.86984	3.9
57.03435	9.0
57.07061	10.8
60.08152	20.9
67.05507	36.3
69.07061	29.2
69.23724	10.4
69.24126	15.3
79.05473	18.3
81.07052	42.8
83.08604	33.1
85.10171	5.0
86.09691	51.6
93.07035	18.8
95.08607	26.3
97.06490	10.1
97.10170	9.2
98.23438	7.3
99.08070	4.3
104.10733	93.0
107.08593	17.8
109.10126	14.1
111.08063	4.3
115.11163	4.1
121.10129	39.4
123.11649	10.6
124.99987	26.9
135.11682	27.0
135.37833	5.1
137.13210	4.7
137.42397	3.9
149.13240	10.3
163.14861	5.1
184.07324	100.0
199.59985	4.4
219.21030	35.5
222.15849	5.5
222.27039	4.3
237.22089	59.6
255.23253	10.4
267.57465	4.3
297.24915	4.9
311.25742	49.1
329.26779	15.6
375.80841	4.9
439.12405	4.7
490.32986	4.8
508.34766	22.2
534.71783	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	508.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55378	5.9
53.46959	5.5
55.05502	22.8
56.40145	5.7
57.03423	6.7
57.07070	28.3
60.08161	9.8
67.05497	28.1
69.07067	43.3
71.08619	14.2
73.51139	6.7
79.05487	19.2
81.07046	45.1
83.08597	33.5
86.09696	17.9
93.07009	20.5
95.08587	48.0
97.06523	8.5
97.10159	23.9
98.65029	6.8
104.10742	22.1
105.07004	10.4
107.08590	20.5
109.10147	17.2
111.08044	10.2
121.10134	22.3
123.11708	8.5
130.75394	6.0
135.11684	26.3
149.13210	10.2
158.40117	6.7
184.07281	28.5
343.28448	46.7
381.29962	79.4
399.31113	61.1
400.31094	13.3
455.33401	11.9
473.34741	100.0
508.29776	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	509.2718
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
55.01883	0.5
55.05501	0.8
58.06599	0.6
58.36906	0.5
58.82579	0.5
60.93007	0.5
67.05489	1.1
69.98123	1.6
75.10357	0.4
79.05466	0.7
81.07052	1.0
86.94406	0.5
91.05470	0.8
93.07020	1.0
105.07034	1.0
107.08582	1.1
109.10177	0.6
133.10167	0.6
135.11682	0.6
137.24098	0.4
155.58134	0.5
189.11147	0.5
207.70056	0.5
227.07919	0.5
310.01227	0.5
466.32135	0.5
509.27173	100.0
510.27390	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	510.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21733	0.7
52.27131	0.8
53.03940	1.6
55.01843	1.3
57.03421	2.5
58.06582	3.4
67.05482	2.9
69.03426	4.3
69.07051	1.4
70.06586	1.0
71.04980	3.3
73.02892	1.9
77.03941	0.7
79.05479	2.9
80.14310	0.7
81.03399	9.8
81.07037	3.2
85.02887	12.2
85.06552	0.8
87.04430	1.6
91.05458	2.7
93.07037	2.2
95.04937	3.1
95.08558	2.0
96.02095	1.9
97.02905	5.9
97.06505	1.4
98.23412	2.6
99.04446	1.2
105.03384	7.1
105.06998	1.5
106.03628	1.1
107.04965	1.3
107.08562	1.7
109.02863	4.3
109.06480	0.9
109.10120	1.5
111.08063	5.5
115.03903	2.4
117.06985	1.0
121.10116	1.3
122.09628	1.4
125.05960	3.0
127.03905	6.1
133.10075	1.5
137.02316	100.0
138.02673	1.5
138.05463	0.9
144.24277	1.0
145.04950	3.1
145.10152	1.6
151.03885	8.9
152.07040	10.4
155.03362	5.4
155.08521	1.2
157.08571	1.3
163.11125	1.0
165.06918	2.6
166.04907	2.6
166.07811	4.1
179.08507	3.0
180.06526	84.0
181.06795	2.4
181.08551	1.3
181.10092	19.9
206.04488	1.6
212.09145	15.9
227.12735	2.7
245.13753	4.4
298.07016	1.2
316.08099	61.1
317.08368	1.7
324.49545	0.9
348.10919	6.0
368.93588	1.0
415.62036	0.9
478.13077	2.8
478.24866	1.3
492.23349	1.2
499.09265	1.0
509.26984	3.9
510.29227	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	510.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	4.5
65.59995	1.8
69.03433	2.3
69.78194	2.9
69.78546	5.9
73.01402	1.7
74.83452	1.8
81.07035	2.9
85.02882	6.1
88.77542	1.9
91.05503	2.0
95.04964	17.0
95.08646	2.7
97.02883	3.0
105.03375	3.3
105.80750	1.6
109.02867	4.2
123.04400	8.2
127.03869	2.7
138.05472	5.0
141.05455	4.4
150.92407	1.8
151.03882	100.0
152.04268	3.7
166.04979	54.1
181.15802	2.8
198.07652	9.8
199.17110	2.5
210.53586	1.7
316.08096	45.0
348.10687	5.4
361.02167	5.6
509.32642	3.1
510.31229	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	510.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06579	4.8
81.03439	8.6
85.02895	9.0
95.08584	3.8
97.02847	3.4
104.10046	3.1
105.03294	3.0
109.02882	3.7
119.04903	2.9
121.10138	5.7
122.04448	2.9
125.05990	3.8
127.03919	4.0
137.02316	64.0
151.03862	3.4
152.07062	12.1
180.06528	100.0
181.06689	3.2
212.09154	19.4
258.15411	3.1
316.08084	68.6
316.11465	5.4
331.15216	4.2
332.17477	3.0
347.78607	2.8
348.10748	6.8
411.23721	3.4
509.29224	4.5
510.23691	3.6
510.30847	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	510.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
57.03420	1.2
58.06603	1.3
58.54199	0.6
63.80339	0.5
65.03938	2.2
67.05503	2.5
69.03425	2.2
69.07064	2.5
71.04984	0.7
79.05508	1.0
81.03423	1.5
81.07050	2.1
83.08621	0.9
85.02909	5.7
89.06047	1.3
91.05479	0.9
93.07038	1.9
95.04958	19.5
95.08612	2.1
97.02895	3.3
98.23614	0.9
102.55335	0.6
105.03386	2.0
105.07040	1.0
107.04987	0.6
107.08575	1.3
107.90958	0.5
108.02084	1.8
109.02875	1.0
109.10139	1.3
110.03677	1.8
111.04443	2.9
111.08125	0.8
111.11714	1.9
112.87033	0.6
115.03942	1.3
119.08587	1.0
120.04499	0.7
121.10088	0.7
123.04429	8.2
123.11670	0.7
127.03892	1.9
129.06918	0.6
129.12791	0.7
133.04950	1.6
133.10077	0.7
138.05490	9.6
141.05461	5.9
145.04988	0.7
147.11681	0.7
151.03888	100.0
152.04295	1.4
166.04979	98.2
167.05339	1.7
169.04930	2.3
174.41661	0.6
178.04977	3.8
180.06522	2.5
181.10109	4.7
192.02852	2.6
196.05984	0.6
198.07602	14.0
201.14859	0.7
208.06036	5.1
228.06487	0.6
232.05981	0.8
240.08559	1.6
244.06042	1.4
256.06015	5.0
274.07010	1.9
288.08585	1.3
295.07968	0.8
316.08121	30.6
317.08383	1.0
346.11426	0.7
348.10669	1.8
398.81528	0.6
444.01797	0.6
478.12964	1.8
501.30273	0.8
510.30643	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	510.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.5
55.28793	0.4
57.03448	0.7
58.06580	1.6
63.02374	0.5
69.03403	1.4
70.27572	1.0
70.27929	0.8
73.75122	0.4
79.05492	0.6
79.58774	0.5
81.03391	0.7
85.02885	2.1
89.03900	6.5
91.05462	1.4
93.07051	0.5
95.04947	0.6
95.08584	0.7
97.02886	0.9
99.04384	0.6
105.03369	0.7
106.04151	0.9
107.08569	1.4
109.10136	0.5
115.05375	0.6
117.03362	21.6
121.10138	0.8
123.04438	0.6
129.01093	0.5
129.07062	0.5
133.10179	0.6
134.03601	1.5
135.04398	1.4
137.05984	0.9
145.02826	52.6
146.03142	1.4
149.05954	7.0
151.11218	1.2
177.05440	100.0
178.05762	1.5
195.06470	1.1
199.05161	0.5
291.25305	0.5
321.09720	0.8
339.10547	1.3
357.22180	0.7
389.24954	1.3
389.94183	0.5
390.25336	1.0
407.25970	1.1
491.31741	0.6
492.31750	0.5
509.25812	0.8
509.32916	8.9
510.24298	1.4
510.32120	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	510.3057
Annotation	Veracevine
Peak:m/z	Relative Intensity
53.03922	0.7
53.59610	0.6
55.01886	0.6
55.05507	0.7
56.05030	3.5
56.11344	0.5
57.21505	0.5
58.06335	0.8
58.06598	9.7
67.05497	0.7
68.05031	0.6
70.35207	0.6
71.04990	3.4
72.08147	5.4
75.04466	1.7
77.03943	0.7
79.05495	1.3
80.05029	0.6
80.19630	0.5
83.04945	0.5
84.08163	1.0
85.02884	1.4
91.05449	2.8
93.07034	0.9
95.04954	0.6
96.08120	1.4
98.09685	2.4
102.09153	1.6
105.07030	1.0
106.80952	0.5
107.04970	1.3
107.05719	0.7
107.32244	0.5
108.08112	6.7
109.06509	1.5
110.09680	1.1
112.07589	0.7
114.09174	1.0
114.45511	0.5
115.05471	0.8
117.07035	1.8
118.53668	0.5
119.04987	0.6
120.08021	0.6
121.06497	1.1
121.08893	0.6
122.09653	1.9
123.08054	0.9
124.11348	0.6
128.06221	1.3
128.10698	1.4
129.06996	2.7
131.08604	0.8
135.08037	0.9
137.05971	0.8
138.09100	1.4
141.06984	1.9
143.08545	1.1
145.06508	1.0
145.10101	0.7
147.08028	1.1
151.07576	0.8
152.10699	1.4
153.07054	1.4
154.07814	0.6
154.12239	1.3
155.08548	2.0
157.10086	1.0
159.08063	1.0
160.11295	0.9
165.06898	1.1
166.07765	0.7
167.08553	1.6
169.10107	0.7
172.11214	1.1
173.09665	1.1
174.12646	0.8
178.07698	0.6
179.08528	2.4
181.10110	1.7
183.08043	0.8
184.11363	0.7
184.13275	1.1
186.12856	0.9
187.07529	0.7
191.08548	1.0
193.10150	1.3
195.11641	0.9
197.09653	0.6
203.08527	0.7
205.10153	1.1
207.11647	0.8
216.09526	0.6
217.10185	0.8
223.11385	1.1
231.11757	1.0
233.09645	0.6
235.11148	1.0
246.09865	0.7
247.10992	1.0
312.10690	1.0
328.19232	0.6
330.11548	0.7
348.12701	1.9
362.99103	0.6
368.21860	0.7
372.21713	0.7
400.21033	0.7
402.22424	0.8
414.22653	1.7
428.24783	0.9
446.25284	5.2
450.24658	0.9
460.22131	2.7
478.28137	10.7
479.27884	0.7
492.25381	8.3
510.30252	100.0
511.30588	5.1
528.55585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3056
Annotation	NKH477
Peak:m/z	Relative Intensity
55.22866	0.4
56.05016	1.3
58.06594	4.5
60.04509	0.8
62.53180	0.4
69.66729	1.8
71.04986	0.8
72.08142	1.2
75.04473	1.2
79.05498	0.7
81.07077	0.5
84.08144	1.8
85.02900	0.5
88.95707	0.5
90.89770	0.4
91.05482	1.7
93.07038	1.0
94.06563	0.5
95.04953	0.6
96.08117	0.8
102.09163	0.6
105.07027	0.7
107.04954	1.2
108.08118	2.1
109.06523	0.7
115.05415	0.6
117.06969	1.0
121.06514	1.2
122.09647	1.3
123.07978	0.5
128.06204	0.9
129.06999	1.5
131.08551	1.2
135.08069	0.6
137.05957	1.1
141.06995	1.0
143.08559	1.4
152.10732	1.5
153.07007	0.8
154.12239	0.7
155.08546	1.4
158.07281	0.4
159.08026	1.7
165.07048	0.5
165.51714	0.5
167.08580	1.3
169.10181	0.5
172.11241	0.8
179.08551	1.3
182.11829	0.8
184.11220	1.7
185.09615	0.9
186.12886	0.7
191.08537	0.7
192.09276	0.7
193.10095	1.2
195.11757	0.7
203.08574	0.8
204.09367	0.6
205.10262	1.0
207.11731	0.5
210.12717	0.6
217.10149	0.6
219.11755	0.9
223.11229	0.6
229.10188	0.6
231.07954	0.6
233.13455	0.8
247.11159	0.9
249.12794	0.7
260.14203	0.7
261.12735	0.6
323.89728	0.5
336.19540	0.6
342.20728	0.5
386.23566	0.6
396.21606	1.8
402.22754	1.1
404.24200	1.0
414.22879	1.3
428.24228	4.2
446.25153	2.3
460.26889	9.2
478.28036	3.9
492.29550	3.6
510.30560	100.0
511.30960	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	510.3061
Annotation	NKH477
Peak:m/z	Relative Intensity
53.05700	0.5
56.05023	2.2
58.06602	6.4
58.72926	0.5
59.04992	0.6
60.04521	1.5
61.41314	0.5
67.05483	1.1
69.03413	0.8
69.04044	0.5
69.15343	3.3
70.06571	1.2
71.04986	1.2
72.08141	0.6
75.04471	0.7
79.05487	1.7
81.03380	0.5
81.07065	1.3
84.08135	1.5
85.02889	2.1
86.09654	0.6
91.05476	2.0
93.07030	1.4
95.04972	1.4
95.08584	0.7
96.08124	0.7
97.10173	0.5
98.22704	1.1
102.09167	0.8
105.03404	0.7
105.07041	1.2
107.04914	1.2
107.08604	0.8
108.08109	2.6
109.06518	1.3
113.06017	1.0
117.07034	0.9
119.04916	0.9
119.08641	0.6
121.06481	0.8
121.10143	0.6
122.09663	1.7
127.03886	1.1
128.06183	1.0
129.06996	2.0
131.08566	1.3
133.10101	0.8
135.08107	0.7
137.05991	0.7
138.09067	0.7
141.06984	1.9
143.08542	1.1
143.10664	1.5
145.04958	0.7
145.06488	0.7
145.10114	0.9
148.11159	0.6
152.10686	1.2
153.06985	0.6
154.12300	1.2
155.08560	1.5
157.10052	0.8
159.08046	1.8
161.09673	0.8
163.11147	0.8
165.06956	0.9
167.08499	0.8
169.12242	1.3
171.08099	0.7
178.04985	0.6
178.07785	1.1
179.08531	1.6
181.10117	1.2
182.11813	0.8
184.11244	0.8
186.12663	0.6
191.08501	1.2
192.09341	0.9
193.10249	0.9
198.12749	0.7
203.08540	1.0
204.09366	0.9
205.10100	0.9
206.04562	1.2
210.12764	0.8
218.07288	0.6
219.11732	1.2
223.11185	0.5
231.11732	0.9
279.13782	0.5
285.29254	0.5
326.57465	0.5
343.88156	0.5
354.20337	0.7
358.61618	0.5
396.21793	1.2
404.24158	1.0
414.22824	1.0
428.24234	2.3
432.26553	0.7
446.25314	1.7
460.27008	4.9
478.27765	7.3
492.29526	1.8
510.30554	100.0
511.30988	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	510.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05489	1.0
56.05024	1.9
57.03426	0.9
57.07063	0.7
58.06591	6.5
59.04991	0.3
60.04517	22.6
61.02914	1.4
65.03912	0.2
67.05497	3.5
68.05030	0.3
69.03420	2.0
69.07047	0.7
69.33353	1.0
70.06577	0.3
71.01356	0.3
71.04987	1.7
72.04517	0.6
72.08133	1.0
74.06064	0.7
75.04472	0.7
77.03915	0.3
79.05482	3.6
80.05001	0.8
81.03410	1.4
81.07049	3.4
82.06563	0.9
83.08602	0.5
84.04480	0.6
84.08127	0.8
85.02893	4.4
85.06517	0.6
86.06050	0.5
86.09682	0.4
88.07619	0.6
90.05563	0.4
91.05466	3.7
93.07035	2.7
94.06557	1.0
95.04951	1.4
95.08582	2.4
96.08117	1.2
97.02885	1.3
98.06039	0.3
98.09686	0.5
98.23515	0.4
99.04443	0.3
102.05535	0.4
102.09150	0.8
103.05444	0.4
104.07091	0.6
105.04487	0.3
105.07017	2.4
107.04937	2.6
107.08583	1.5
108.08102	3.5
109.02843	0.8
109.06493	1.0
109.10136	1.0
110.09651	0.4
114.09181	0.6
115.05424	0.6
117.06995	1.0
119.04939	0.4
119.08545	1.3
120.08116	0.3
121.02821	0.3
121.06480	1.2
121.08881	0.5
121.10129	0.9
122.09657	1.8
123.04408	0.8
123.08025	0.4
123.11710	0.4
125.05937	0.4
127.03905	0.8
128.06175	0.9
128.10703	0.3
129.07004	2.4
131.08534	1.9
133.06438	0.5
133.10092	0.8
134.09595	0.6
135.08038	0.6
135.11696	0.6
137.02361	1.4
137.05962	0.7
138.09111	0.9
141.06946	1.5
142.07758	0.4
143.08531	1.7
145.06480	0.6
145.10114	0.8
146.09636	0.5
147.07977	0.5
147.11658	0.5
152.10683	2.6
153.05618	0.2
153.07002	0.9
154.12279	0.6
155.08530	1.8
157.10095	0.8
158.09575	0.6
159.08046	1.0
159.10457	0.3
159.11642	0.4
160.11189	0.5
161.09595	0.7
165.06989	1.0
167.08525	1.8
169.10117	1.1
171.07953	0.8
172.11133	1.3
173.09583	0.7
173.13315	0.3
174.12688	0.4
175.11143	0.3
176.10617	0.3
178.07794	0.8
179.08513	1.6
180.06512	1.4
180.09167	0.3
181.10063	1.1
183.08092	0.3
184.11203	1.1
185.09541	0.4
185.11874	0.4
186.12732	1.6
188.14311	0.3
190.07701	0.3
190.12248	0.7
191.08539	0.9
192.09322	0.4
193.10176	1.5
195.08174	0.3
195.11652	0.5
196.11235	0.3
197.09546	0.3
198.12688	0.6
199.11169	0.4
200.14189	0.3
202.07790	0.3
202.12228	0.6
203.08554	0.8
204.09303	0.9
204.13832	0.5
205.10056	1.3
207.08087	0.4
207.11690	0.7
209.09586	0.6
210.12798	0.6
211.11150	0.3
212.09079	0.4
216.09283	0.4
216.13802	0.5
217.10068	0.6
218.15376	0.8
219.08092	0.4
219.11610	0.8
221.09618	0.4
223.11255	0.6
224.11267	0.5
224.14279	0.3
229.10187	0.4
233.09628	0.3
233.13191	0.5
237.12637	0.3
239.10924	0.3
247.11266	0.4
248.14314	0.3
249.12630	0.4
252.23283	0.2
254.15446	0.2
258.22147	0.3
260.26337	0.3
261.12875	0.3
276.23227	1.0
279.13824	0.5
292.16925	0.7
294.24210	1.0
304.16794	0.4
310.18073	0.3
312.25317	2.1
316.08072	1.2
322.17865	0.6
328.18854	0.5
329.54492	0.3
330.26303	7.6
336.19461	0.6
340.19070	0.9
342.20496	0.3
343.80603	0.3
348.27390	18.4
349.27878	0.6
354.20660	2.1
358.19894	0.3
360.21509	0.6
368.21951	0.6
372.21603	0.8
386.23190	4.2
390.22687	4.7
390.27673	0.5
400.24554	0.4
408.23746	1.1
418.25797	11.4
419.26074	0.5
432.26523	0.4
438.28430	0.4
450.28519	3.7
451.76373	0.3
456.29181	0.8
471.63611	0.3
474.28983	0.3
478.27911	1.0
492.30576	4.0
510.30597	100.0
511.30887	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	510.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.05034	0.8
56.79829	0.4
57.03424	0.9
57.07073	3.8
58.06581	1.9
60.08157	17.3
67.05479	1.5
69.07060	1.0
69.94984	1.1
70.06560	0.4
71.07365	6.8
71.08630	2.4
81.07035	1.7
83.08608	0.9
85.10171	1.3
86.09695	50.9
87.10036	0.4
95.08611	1.9
98.98450	3.9
104.10731	100.0
105.11063	0.7
105.88200	0.6
109.10155	0.8
115.57813	0.5
124.99989	27.8
163.01584	1.0
184.07320	96.4
234.35042	0.4
239.23753	0.5
258.11002	1.6
313.27377	3.4
327.28961	1.3
338.28021	0.5
449.42523	0.4
492.34448	8.4
492.41898	0.4
493.34756	0.5
510.35590	24.2
511.36209	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19265	7.5
55.05497	16.8
57.07071	100.0
60.08142	18.5
67.05488	35.0
69.03400	14.1
69.07059	20.9
71.08628	67.2
71.26135	7.1
72.39722	7.5
81.07053	45.1
83.08610	36.0
85.02880	27.8
85.10149	40.8
86.09691	38.5
91.05468	10.5
93.07039	9.2
95.08598	72.0
97.02855	17.5
97.10159	20.7
98.23534	13.1
102.94951	9.8
104.10734	80.3
109.10156	41.3
123.11669	16.8
124.99937	19.7
127.03866	16.4
142.99081	8.7
145.04926	14.0
153.58333	8.6
184.07312	62.9
186.80934	8.7
239.23682	68.9
257.24863	9.8
307.01791	8.9
313.27335	90.2
314.27490	8.5
370.31277	8.6
383.27856	24.2
401.28961	46.5
510.36313	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	511.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37026	0.3
56.99382	0.3
69.77338	1.0
71.10406	0.3
79.05513	0.4
81.07028	0.5
102.09063	0.3
119.10261	0.3
122.28265	0.3
127.05617	0.3
185.04166	0.4
187.42798	0.3
203.05316	0.7
259.07867	0.3
511.28720	100.0
512.29150	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	512.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03174	2.1
57.03430	26.2
58.06580	5.0
59.04984	3.9
60.04500	2.5
61.02916	2.1
69.03419	82.1
71.01315	1.4
71.04962	1.5
73.02899	3.3
75.04428	2.0
79.05479	1.5
79.79379	1.3
81.03393	4.3
84.94579	1.2
85.02889	57.3
87.04453	54.9
89.06058	1.3
91.05467	2.6
93.07001	1.4
95.04950	3.4
97.02878	75.5
97.97084	1.5
98.09667	1.7
99.04424	2.2
103.03963	2.4
103.05511	1.4
105.03381	16.2
108.08109	2.8
109.02787	1.5
111.04448	1.7
115.03914	92.3
115.05415	4.0
127.03870	7.5
128.06213	4.3
128.75769	1.5
129.06975	4.3
130.07814	2.6
131.04865	2.6
132.05681	3.4
133.04945	94.7
134.05264	1.8
141.06927	3.3
142.07730	1.6
145.04935	11.0
150.07620	18.6
153.06917	6.3
154.07753	1.9
155.08485	8.3
156.62263	1.4
164.58438	1.4
165.06982	4.7
167.08493	2.0
168.05692	6.6
169.04895	2.1
169.10103	3.4
171.08051	7.2
179.08522	1.7
182.07280	3.1
183.08028	100.0
183.17401	2.5
184.08363	4.2
185.09564	3.9
195.08069	2.8
197.09586	38.9
198.09918	2.2
199.07559	2.1
201.09108	6.4
207.08112	2.3
209.09456	3.4
211.07425	2.8
213.08998	2.1
221.09596	9.7
223.11174	2.2
225.09087	28.2
235.11221	2.5
237.09061	5.9
239.10632	2.5
241.08818	2.1
249.09027	3.6
251.10561	4.5
259.08148	4.0
263.10712	2.7
267.10165	7.7
277.09216	2.3
279.10080	6.8
291.10147	2.5
293.90207	1.5
295.10165	1.5
297.11121	4.4
309.11197	6.1
311.59366	1.6
315.12225	2.2
327.12189	2.5
361.89749	1.5
480.27649	8.4
512.30188	44.6
513.30487	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	512.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01868	7.7
56.05040	1.2
57.03433	13.8
58.06594	10.7
59.05025	1.3
61.02921	11.6
67.05495	2.2
69.03424	28.2
69.07100	1.8
69.71260	1.5
71.01362	2.9
71.05000	2.6
72.08167	2.1
73.02913	67.9
77.03993	1.6
79.05505	2.6
81.03424	3.6
81.07065	1.7
83.08684	1.6
85.02898	61.6
85.03400	3.1
87.04488	5.1
89.38114	1.2
91.03983	3.6
91.05505	4.7
93.07053	2.2
95.04990	3.3
95.08634	3.0
97.02884	44.6
98.09699	4.0
98.23506	3.4
99.04481	1.9
100.44517	1.2
103.03966	1.7
105.03383	22.3
105.07034	1.7
107.04980	1.5
108.08112	3.2
109.02902	4.5
109.10161	3.1
115.03923	24.3
116.06264	2.5
117.07023	1.5
124.11251	1.9
127.03903	21.1
128.06271	5.1
129.07022	4.3
130.07767	1.3
130.64056	1.4
131.08595	2.5
131.57611	1.3
132.05713	1.9
133.04965	30.1
133.05899	2.1
137.05984	1.8
141.06993	2.6
142.07811	1.6
145.04950	28.3
145.06612	1.6
146.07193	1.6
150.07706	4.3
153.07019	5.1
154.07883	2.3
155.08539	8.4
163.06015	8.8
165.06976	8.0
165.16402	1.8
166.05038	1.5
168.05724	6.4
169.10179	1.7
171.08112	4.3
178.07826	2.0
179.08679	1.8
181.06514	1.5
181.10201	1.7
182.07298	2.5
183.08044	100.0
183.17500	5.5
184.08464	2.3
185.09668	4.2
193.04961	3.3
195.08127	3.3
197.09604	17.3
199.06067	2.3
201.09201	5.6
201.18610	2.4
207.08044	2.5
209.09724	3.2
217.07237	1.8
221.09676	7.5
223.05890	2.8
223.11131	1.5
225.09082	8.2
233.09641	2.7
237.09058	10.9
241.07201	5.7
249.09196	4.4
251.10783	2.4
259.08276	5.6
263.10803	2.7
267.10287	2.3
279.10349	3.8
291.10220	2.4
295.10379	2.1
297.11258	7.6
309.11301	6.4
327.12439	3.8
358.23871	2.2
396.96243	1.5
480.27554	12.9
481.27219	1.6
512.30243	78.6
513.30585	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	512.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01858	4.0
55.05499	14.8
57.03421	1.5
58.06586	1.7
65.03921	2.2
67.05488	11.3
69.03420	46.5
69.07068	3.1
71.04967	2.0
76.67068	1.3
78.03466	2.7
79.05466	9.6
80.04992	3.6
81.02946	2.5
81.03407	32.1
81.07047	13.4
83.04967	36.9
91.05465	18.6
93.07024	12.5
95.04944	13.3
95.08595	11.0
96.04488	2.8
97.06498	2.6
97.80481	1.5
100.39354	1.4
103.05466	2.3
105.07023	26.0
106.02857	6.7
107.04923	3.6
107.08566	10.8
109.06484	6.5
109.10152	1.4
111.04427	80.1
113.06001	1.6
115.05441	3.4
117.06997	19.2
119.04933	2.2
119.08559	17.5
121.06489	5.3
121.10123	3.7
123.08038	4.0
124.03931	100.0
125.06030	1.4
128.06219	5.3
129.06985	12.3
130.07805	2.0
131.04938	1.8
131.08542	44.3
133.06482	4.6
133.10092	7.7
135.08061	6.6
135.11725	1.7
141.06958	7.4
142.07761	7.8
143.08548	22.2
144.09311	3.0
145.06490	4.7
145.10097	35.6
147.08063	8.7
147.11676	5.2
149.02315	3.2
149.13213	2.2
150.02652	1.7
153.06998	3.0
154.07718	2.0
155.08514	13.1
156.09306	7.7
157.10100	23.8
158.10913	5.5
159.08008	5.5
159.11696	15.1
161.09618	6.2
161.13193	2.8
163.07452	1.9
163.11180	3.6
163.14793	2.1
165.06998	5.6
167.08524	5.4
168.09328	6.7
168.32280	1.5
169.10100	6.7
171.07948	3.5
171.11687	16.8
173.09590	5.7
173.13231	85.6
175.11177	4.7
175.14810	2.1
178.07813	2.0
179.08516	4.0
180.09148	2.0
181.10114	8.6
182.10797	2.1
183.11644	16.2
185.09584	3.9
185.13217	6.1
187.11162	2.5
189.08960	1.8
189.12700	13.8
191.08626	2.8
191.10674	5.7
191.14206	3.3
193.10089	6.3
195.08003	2.1
195.11696	8.7
197.09518	3.3
197.13232	7.9
199.11151	4.7
201.12701	22.8
203.14359	2.8
204.49254	1.7
205.10144	2.8
206.10898	1.9
207.11626	4.0
209.09627	3.0
209.13226	3.6
211.11214	2.4
211.14835	2.6
217.10155	2.6
217.12083	3.3
219.11754	2.8
219.13695	22.2
221.13191	3.3
223.11124	1.9
225.12683	3.1
227.14209	1.8
229.12122	3.3
232.12480	2.0
237.07553	2.2
237.12752	2.9
237.16458	3.5
238.07898	2.2
239.14313	1.9
241.12376	2.2
243.13773	2.1
247.13107	2.8
255.13860	2.0
255.17366	2.8
261.14932	1.6
263.14163	1.7
265.15903	8.2
273.14764	2.2
281.15198	1.8
283.16946	5.9
293.15305	3.3
301.17963	1.7
311.16391	11.8
324.13699	1.5
329.17508	6.9
347.18427	7.2
370.56760	1.7
389.19485	70.2
390.19672	1.6
452.20374	4.6
468.57620	1.7
511.34741	3.0
512.22638	6.2
512.34772	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	512.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	1.3
69.03410	0.6
70.06579	1.1
71.04974	0.6
74.06035	0.4
79.05476	0.6
81.03405	0.5
81.22840	0.5
82.06552	0.5
83.06010	0.4
84.04488	0.5
84.08141	0.8
85.02901	1.0
91.05465	1.2
94.06544	1.8
95.04958	0.9
96.08109	1.2
97.02880	0.5
103.41443	0.4
105.07035	0.5
107.04926	1.0
108.08087	1.8
109.06532	0.6
110.05993	0.5
117.06973	0.8
119.08556	0.5
120.08089	0.8
121.08852	0.4
124.07571	1.0
126.09129	2.1
129.07007	0.6
131.08560	0.7
132.08078	0.4
133.08809	0.6
134.09622	3.7
135.06873	0.5
135.07994	0.4
135.10397	1.4
138.09113	1.2
141.06993	0.8
144.08018	0.4
145.06447	0.7
146.09586	0.9
147.04405	0.5
147.07988	0.4
148.36095	0.5
150.09088	0.5
153.06955	0.5
155.08598	0.7
158.09656	2.3
159.10413	1.7
162.09131	0.8
164.10681	0.9
167.08487	0.5
168.08012	1.2
169.08803	0.4
170.09639	1.7
171.10289	0.5
172.11188	0.8
179.08534	1.0
182.09607	0.8
184.11168	0.8
186.09094	1.0
190.12221	0.5
197.09651	0.6
198.09131	1.0
200.10660	1.5
207.07951	0.8
209.09706	0.7
212.10632	0.9
224.10706	0.8
225.11142	0.5
228.10081	0.6
232.05743	0.5
238.12315	2.2
240.10149	0.8
242.11760	0.7
256.13232	2.6
266.11728	2.2
268.13196	0.5
272.05502	3.2
280.13385	0.5
282.14789	0.6
284.12784	4.2
286.14331	0.8
288.15955	1.0
298.14383	3.1
300.04791	0.5
312.12073	0.5
316.15387	36.4
317.16034	0.6
318.05893	0.9
318.17130	1.0
330.16916	1.6
332.07526	0.6
332.14862	0.8
342.16870	1.0
344.14856	1.2
348.17996	13.3
349.18213	0.6
350.08542	0.4
358.16507	0.5
360.17975	4.9
376.17484	29.8
377.17609	0.9
378.18561	0.5
388.17471	0.9
390.22626	1.0
392.20584	2.9
402.19043	1.7
420.20065	23.0
421.20432	1.2
436.19690	3.4
452.22684	23.9
453.22809	0.8
480.22229	5.7
512.24707	100.0
513.17651	0.7
513.25177	5.1
513.67981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2644
Annotation	Tubacetine
Peak:m/z	Relative Intensity
51.02378	0.9
53.03931	2.0
55.05497	1.4
56.05029	1.3
58.06596	1.9
67.05498	2.0
69.03433	1.3
69.07059	2.3
70.06582	3.6
70.57097	1.3
71.04978	2.0
73.02904	1.6
77.03924	2.5
79.05482	3.0
80.05018	1.5
81.03426	0.7
81.07045	4.3
82.06575	2.5
83.76681	0.7
85.02901	6.1
85.06525	0.7
91.05462	3.6
93.07043	2.9
94.06544	1.1
95.04955	8.9
95.08611	2.4
96.08098	1.1
97.02869	2.7
105.03385	69.1
105.04520	2.9
105.07002	5.0
107.08646	0.9
108.08118	1.8
109.06489	0.8
109.10123	3.9
110.09708	0.7
115.03941	0.9
116.92482	0.7
117.07013	2.1
118.11047	0.7
119.08549	1.6
121.06474	1.0
123.11686	1.3
127.03896	1.3
127.11174	1.4
129.07002	2.3
131.08577	2.1
133.10135	1.3
134.45758	0.7
136.03946	2.1
141.01033	3.0
141.06981	1.5
143.07431	0.7
143.08565	3.3
144.08105	1.5
145.04956	1.0
145.10132	2.2
146.09634	1.5
153.12747	1.0
155.08574	3.2
157.10089	1.5
158.09660	1.3
160.11188	1.1
163.03807	0.8
165.06985	1.5
166.07808	1.3
167.08621	2.7
168.06573	1.4
168.11017	0.7
169.10191	3.7
169.12216	1.9
170.09663	0.8
171.11838	1.0
172.11154	0.8
178.07813	1.7
179.08536	3.8
181.10112	3.9
183.05740	2.6
183.11716	1.8
187.13335	1.7
191.08548	1.3
192.09355	2.0
193.10098	3.5
194.10913	1.2
195.11691	2.2
195.60345	0.8
196.11136	1.0
204.09195	0.7
205.10135	1.6
206.10898	1.1
207.11694	3.0
209.13274	1.8
211.14830	1.0
215.08488	1.0
217.10202	1.6
218.10966	0.8
219.11710	2.2
221.09659	0.8
221.13293	2.9
223.14790	1.9
224.14388	0.8
231.11644	0.9
233.13245	1.1
235.14899	1.5
236.14296	0.9
237.16336	2.4
238.15912	2.0
239.14340	1.9
240.17450	3.7
247.14917	1.5
249.12712	0.8
249.16341	2.6
250.93867	0.7
251.14375	1.2
259.14929	1.6
265.15805	2.4
265.31345	0.7
266.15387	1.0
266.19122	2.9
276.17523	4.6
277.15726	1.7
284.16312	1.1
294.18481	20.0
312.19504	12.4
336.19647	3.0
354.20480	3.4
398.21368	1.4
416.22034	7.2
434.23300	10.4
450.50000	0.7
476.24393	7.4
477.24222	1.1
494.25336	94.6
495.25757	6.5
495.80093	0.8
512.26398	100.0
513.26605	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	512.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.5
58.06584	1.3
65.54967	0.3
68.88818	0.3
68.99785	0.4
69.31784	1.8
70.06588	1.1
70.61394	0.3
71.04989	0.7
75.04475	0.5
75.78399	0.3
77.68269	0.3
79.05461	0.8
84.08138	0.7
85.02905	0.8
88.07610	1.9
91.05460	1.7
93.07025	1.0
94.02507	0.3
94.06542	2.1
95.04950	0.5
96.08110	0.4
98.23399	0.8
99.61784	0.3
100.07611	0.4
107.04947	0.6
107.07320	0.5
107.08566	0.8
108.08102	1.7
109.06542	0.7
110.09690	0.7
114.09160	0.4
115.05459	0.6
117.06984	0.5
123.04471	0.4
123.08077	0.5
129.06985	1.5
131.08582	0.8
133.08894	0.4
134.09647	0.5
135.11690	0.7
137.05942	0.4
138.09164	1.0
139.03935	0.4
140.10687	2.3
141.06947	0.8
143.08585	1.0
145.10042	0.4
146.09634	0.8
147.04414	0.4
151.09877	0.5
154.07726	0.4
155.08577	1.3
156.09329	0.5
157.10107	0.8
158.09683	0.6
160.11197	0.6
161.06015	0.8
161.09584	0.5
163.03931	0.7
164.10634	0.4
165.06923	0.5
167.07185	0.4
167.08528	0.7
170.09615	0.6
171.10405	0.6
172.11180	0.4
179.08549	0.8
181.10150	0.6
184.11261	0.8
186.12755	11.5
189.09111	0.9
191.08577	0.6
193.10240	0.7
198.12828	0.9
199.13603	1.0
200.14407	0.9
206.15417	0.5
207.10011	0.5
216.13829	0.8
217.10112	0.4
219.11864	0.4
223.11145	0.5
225.09265	0.4
230.15318	0.7
231.16142	7.3
232.16634	0.4
235.11232	0.7
237.12895	0.3
247.11282	0.5
263.10693	0.7
265.12033	0.4
266.15619	0.4
282.22842	0.4
293.13943	0.5
294.14868	0.5
296.16385	0.5
310.17841	0.4
324.16016	0.5
328.15378	0.6
328.18869	3.1
328.21909	0.3
329.19537	0.4
338.17456	2.5
342.20749	0.4
356.18515	4.5
360.17914	1.6
360.21710	6.6
388.21152	4.0
392.20303	1.1
392.24539	4.9
394.53885	0.4
402.22818	0.5
420.19153	0.3
420.23758	17.9
421.24130	1.0
452.26382	26.5
453.26779	1.4
480.25946	1.3
512.28522	100.0
513.28888	6.6
521.46259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01868	0.2
56.05018	0.7
58.06590	9.5
67.05492	0.8
69.03407	0.6
70.06578	0.5
70.58064	0.2
70.70728	0.4
71.04981	1.0
72.08139	1.1
79.05467	1.4
81.03409	0.5
81.07040	0.5
82.06591	0.3
83.04952	0.3
84.08145	0.8
85.02888	1.2
87.04450	0.3
91.05458	3.6
93.07009	1.1
95.04948	1.6
95.08593	0.5
96.08124	0.2
97.02930	0.5
97.06523	0.4
98.09672	0.5
99.04458	0.3
102.09179	0.6
103.05450	0.5
105.03377	0.3
105.07011	2.2
107.04923	2.2
107.08552	0.3
108.08094	2.3
109.02860	0.7
109.06510	0.6
110.09677	0.3
111.04385	0.3
115.03924	0.4
115.05441	0.8
116.33688	0.2
117.06998	2.3
119.04924	0.8
119.08599	0.6
121.06495	1.0
122.09612	0.7
123.04405	1.4
123.08086	0.5
124.07614	0.3
124.11191	0.3
125.05963	0.3
127.03905	1.0
128.10703	0.4
129.06978	2.7
131.04924	0.7
131.08559	2.0
133.06508	0.5
134.09674	0.4
135.04407	0.3
135.08069	0.6
135.11644	0.4
137.05994	0.9
137.09598	0.2
138.09108	0.4
140.10698	0.3
141.06944	1.5
141.09171	0.2
142.07655	0.3
143.08549	1.5
145.06456	1.1
145.10144	0.3
146.09631	0.4
147.04416	0.7
147.08069	0.7
149.05998	0.5
150.09142	1.6
151.07547	0.4
152.10655	0.5
153.06903	0.5
154.07753	0.3
154.12245	0.3
155.08517	1.5
157.06458	0.5
158.09526	0.3
159.08058	1.0
160.11220	0.3
161.06026	0.4
161.09555	0.2
165.07034	0.9
167.08540	1.2
168.09277	0.3
169.06436	0.3
169.08609	2.0
169.10033	0.4
171.08060	0.7
172.11221	0.4
173.09570	0.5
174.12761	0.3
177.09125	0.3
178.07784	1.0
179.08543	1.2
181.06482	0.5
181.10065	1.1
183.08061	0.5
183.10204	0.5
183.11720	0.4
185.09653	0.5
189.07123	0.3
191.08589	0.7
192.09174	0.4
193.10123	1.2
195.07986	0.6
195.11682	0.7
197.09605	0.4
199.07539	0.5
201.09262	0.4
201.11208	1.4
202.07678	0.5
202.12247	0.4
203.08450	1.2
204.09291	0.9
205.10062	1.4
207.08025	0.3
207.11685	0.9
209.09538	0.8
209.13202	0.3
211.11153	0.3
214.12166	0.3
215.08539	0.3
216.13805	1.5
217.10136	0.6
219.08035	0.4
219.11682	1.0
220.08990	0.3
221.09627	0.9
223.11139	0.7
227.10678	0.4
229.10178	0.5
232.08600	0.3
235.11211	1.0
236.08328	0.2
237.09038	0.3
237.12694	0.7
239.10594	0.5
245.09381	0.3
247.11180	1.7
251.10597	0.8
253.12167	0.4
261.17142	0.5
263.10574	0.7
265.12201	0.9
281.11679	0.3
283.13336	0.3
293.11548	0.3
310.18051	0.4
328.15375	0.3
328.19022	0.4
336.64999	0.3
338.17532	0.7
342.20688	0.8
348.17944	2.2
360.17548	0.4
360.21631	4.1
363.20590	0.3
370.20013	2.2
374.23346	0.3
384.21677	0.3
388.21014	3.4
389.22406	0.3
392.24222	3.8
394.07129	0.3
402.22604	1.8
420.23706	12.4
421.23987	0.5
434.25400	1.1
452.26334	18.7
453.26785	1.0
453.97385	0.2
462.24756	0.3
480.25864	1.6
494.27200	0.7
512.28485	100.0
513.16327	0.4
513.21710	0.4
513.28857	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	512.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60588	0.3
56.05024	1.1
57.14204	0.3
58.06330	0.4
58.06593	5.5
61.23798	0.4
67.05492	0.7
69.03426	0.3
69.11665	2.1
71.04976	0.7
72.08144	0.9
79.05480	1.5
84.08135	1.5
85.02901	1.3
86.09706	0.5
88.07655	0.4
91.05473	2.2
93.03426	0.4
95.05006	0.8
96.08152	0.5
97.06518	0.5
100.04729	0.3
105.07019	0.5
107.04943	8.7
108.08096	1.6
109.06489	0.4
110.06042	0.4
110.09716	0.4
111.04510	0.4
117.07022	1.3
121.02892	0.6
121.06485	0.5
122.09679	0.7
129.06982	2.2
131.04915	0.6
131.08543	0.9
133.06496	0.4
137.05988	0.5
138.09157	1.5
140.10689	0.7
141.06998	1.0
144.08078	0.4
145.06508	0.4
147.08012	0.8
155.08488	0.7
157.06506	0.9
158.09645	0.6
159.08081	0.8
159.10455	0.4
160.11252	1.2
165.07040	0.7
165.09164	0.4
167.08601	0.9
169.06467	0.6
171.08009	0.4
172.11139	1.6
173.11969	0.5
174.12816	0.8
178.07787	0.5
179.08586	1.1
183.10191	0.5
184.11317	0.9
186.12796	0.9
191.07016	0.4
191.08556	1.2
192.09416	0.7
193.10139	0.9
199.06900	0.3
200.10626	0.5
202.12306	1.0
203.08572	0.8
204.13898	1.2
205.10042	0.7
209.09546	0.5
214.12122	0.5
217.10095	0.5
223.11209	0.5
228.13930	0.7
229.10237	0.5
235.11195	0.6
247.11249	0.5
249.12840	0.8
263.10645	0.3
326.17590	0.5
337.19626	0.4
338.17532	0.8
340.19061	0.7
352.19073	0.6
370.19958	0.5
386.19690	0.9
388.21143	0.4
404.20541	0.5
430.22107	1.4
432.23038	0.5
462.24832	8.7
476.26483	0.5
480.25989	1.6
494.27628	1.6
512.28564	100.0
513.16034	1.0
513.29022	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	512.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03938	0.6
56.05035	2.3
58.06592	12.6
67.05494	1.1
69.07013	0.3
69.20112	0.7
69.20515	0.8
70.06589	0.4
71.04984	0.6
72.08142	3.2
77.03928	0.8
79.05473	1.8
80.05016	0.4
81.07063	0.5
84.08128	1.5
85.06531	0.3
91.05470	2.5
93.07027	1.2
93.69137	0.3
94.06544	0.3
95.04949	3.1
95.08588	0.3
96.08067	0.3
98.09673	6.1
98.22695	0.5
100.06604	0.2
102.09176	0.7
103.05423	0.2
105.03376	25.5
105.04513	1.5
105.07000	1.7
107.04957	0.4
107.08578	0.6
108.08105	4.5
110.09663	0.3
115.05484	0.5
117.06970	1.4
119.08553	0.8
122.09657	1.5
123.04414	0.7
124.11224	1.2
128.10718	0.6
129.06987	1.5
131.08566	2.3
133.10052	0.5
140.10681	0.3
141.06992	1.2
142.07796	0.5
143.08556	1.9
145.10107	1.0
147.08057	0.4
148.11189	0.3
149.17258	0.2
152.10641	0.5
153.06978	0.4
154.07773	0.3
154.12251	1.7
155.08571	1.2
157.10042	1.2
159.08054	0.3
159.11691	0.5
165.06966	0.5
167.08501	1.3
169.10127	1.6
171.07979	0.2
171.11665	0.8
176.14386	0.3
179.08511	0.6
181.10121	1.1
182.10687	0.3
183.08018	0.4
183.11703	0.8
188.14375	0.3
193.10095	0.5
195.11697	0.9
197.13312	0.5
199.11110	0.4
203.08687	0.3
205.10086	0.6
207.11653	0.7
209.13240	0.6
219.11658	0.4
221.13167	0.5
225.12718	0.6
235.14795	0.6
237.16255	0.4
251.14365	0.6
265.15881	0.4
277.90256	0.3
317.49640	0.3
331.21368	0.2
340.22610	0.7
341.47672	0.2
358.23663	1.3
430.23767	0.7
448.24567	0.9
452.24435	0.4
462.26352	1.5
480.27380	21.2
481.27618	1.0
510.95721	0.3
512.29993	100.0
513.30383	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	512.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45788	0.4
55.01830	0.8
55.05489	0.4
57.03426	7.1
58.06588	28.3
58.06857	1.0
59.07368	10.2
60.08151	9.1
66.14898	0.4
67.05495	2.7
67.05791	0.6
69.07016	1.2
69.69206	1.1
71.08613	2.7
73.02863	0.8
75.04476	3.5
78.87534	0.4
79.05450	1.6
81.07043	2.2
83.04934	0.6
83.08577	0.6
84.08088	1.2
85.02887	2.7
87.04454	5.5
91.05444	1.1
93.07040	2.2
95.04926	0.9
95.08581	0.7
97.06493	0.7
98.22737	0.7
99.08034	1.1
100.11194	0.4
102.05493	0.9
102.09176	0.5
103.03883	0.7
105.05465	1.1
105.06976	1.3
107.08536	0.9
109.10142	1.0
113.06001	0.6
119.08540	0.7
130.08597	0.5
131.07031	2.4
133.10045	0.6
135.11650	0.5
144.10168	7.5
149.02327	0.5
151.11148	1.0
158.69298	0.4
159.06367	0.5
162.11220	4.4
163.11232	0.4
179.14197	0.7
209.20937	0.4
218.13811	1.0
236.14870	100.0
237.15208	1.7
450.35571	0.5
494.34647	15.8
495.34857	0.4
512.35730	92.2
513.30627	0.4
513.36316	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05500	8.6
55.88875	1.7
57.07067	73.1
58.06591	2.9
59.04986	1.6
67.05494	5.5
69.07043	10.1
70.06581	9.2
71.08623	53.0
73.02876	1.8
73.06533	4.2
73.95002	1.4
74.07123	1.5
79.05500	2.4
81.07037	6.1
82.06779	1.3
83.08603	7.0
85.10165	33.4
85.10635	2.6
87.04446	4.9
88.07616	15.2
89.06019	100.0
91.05471	3.0
95.08593	5.1
97.06524	2.5
97.10140	6.5
98.95527	1.5
99.11722	7.9
102.09191	8.1
107.07028	2.8
109.10130	2.8
111.11707	5.0
113.13268	5.9
117.09091	2.8
122.06055	2.0
126.96042	1.5
130.08595	2.3
131.07059	1.4
133.08585	67.2
134.71432	1.7
136.07547	2.9
151.09705	1.7
160.48665	1.6
177.11205	26.2
204.13875	2.3
213.22122	3.3
221.13857	4.8
222.14859	5.5
228.23166	3.7
239.14825	4.3
256.26309	40.3
257.24777	6.4
274.27280	3.0
283.17465	4.5
283.26266	40.5
301.27362	5.9
311.29352	2.6
327.19968	19.2
495.38910	17.9
512.33710	3.4
512.50269	82.4
513.50555	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	512.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00417	0.7
53.48653	0.7
53.73478	0.6
55.05505	2.7
57.07068	24.9
58.06583	2.5
67.05486	2.8
69.07056	2.6
70.06581	21.3
70.71385	0.8
71.08617	11.8
73.02900	1.8
77.54981	0.7
81.07034	3.0
83.08600	2.3
85.10168	5.5
88.07617	24.9
89.06021	1.4
95.08599	5.4
97.10160	1.1
102.09160	19.2
109.10149	1.7
132.70363	0.7
188.29991	0.7
196.65932	0.9
198.74947	0.7
228.23222	3.7
256.26312	51.7
274.27341	5.0
283.26260	55.2
284.26733	1.3
311.29282	4.8
318.13983	0.7
388.38956	0.8
512.50293	100.0
513.50818	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	512.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.3
56.05020	0.9
57.07065	35.2
58.06585	4.2
67.05492	5.0
69.07065	5.9
69.15784	4.6
70.06581	31.7
71.08620	17.2
73.02898	3.8
81.07040	5.2
83.08597	4.1
85.10173	7.9
88.07617	41.6
89.80891	0.8
93.07051	1.2
95.08584	6.0
97.10155	2.9
102.09168	30.2
102.09850	1.9
106.08665	1.5
109.10126	2.3
123.11697	1.2
212.23689	1.7
228.23189	8.1
256.26312	75.2
274.27380	7.1
283.26257	83.8
284.26636	2.1
311.29306	6.6
323.49649	0.9
338.25659	0.9
512.50305	100.0
513.50793	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	513.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83308	0.3
55.05491	0.6
55.08412	0.4
56.72097	0.3
57.07061	1.0
61.24876	0.3
61.47631	0.3
67.05505	0.6
69.07067	0.5
70.06583	0.8
71.08624	0.5
79.05479	0.9
79.05936	0.3
81.07037	0.9
85.10166	0.6
88.07618	0.9
93.07059	0.5
95.08618	0.9
97.10191	0.4
102.09187	0.7
105.07059	0.5
119.08590	0.5
131.08559	0.4
131.55568	0.3
142.92029	0.4
145.10136	0.6
152.34198	0.4
161.71349	0.3
185.04150	0.4
198.97432	0.7
200.63113	0.3
203.05267	1.2
214.55270	0.4
256.26285	2.8
257.26715	0.6
283.26239	2.0
284.13892	0.3
284.26532	0.5
512.50415	4.0
513.30237	100.0
513.50433	2.6
514.30566	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	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86589	4.2
55.01848	4.7
55.05498	12.6
57.03417	4.8
61.02917	12.1
67.05493	31.4
69.03438	5.4
69.07045	14.6
70.09722	6.0
70.10066	9.9
79.05474	37.8
81.03400	23.8
81.07040	40.8
83.04930	4.6
83.08610	10.8
84.24277	4.0
85.02888	8.9
91.03969	7.2
91.05460	30.6
93.07034	54.6
95.04969	13.4
95.08593	20.5
97.02882	8.5
98.23418	4.8
105.07013	35.4
107.08611	28.0
109.06488	4.8
109.10135	8.9
117.06996	12.0
119.08554	29.9
120.96754	4.5
121.10133	26.8
129.06982	10.2
131.08563	17.5
133.10130	30.7
135.11665	18.6
137.09579	7.7
143.08554	12.2
145.10106	18.2
147.11674	27.0
149.13246	20.1
157.10048	7.7
159.11702	13.6
161.13222	20.8
171.11636	7.1
173.13269	9.1
175.14816	12.2
185.04442	4.5
185.13278	13.7
199.14720	5.4
205.94728	5.9
241.19479	24.4
259.20496	44.9
269.19275	6.2
271.20453	6.3
275.19983	10.6
277.21561	8.8
333.24249	7.6
351.21292	7.1
351.25287	100.0
441.26065	6.0
459.26874	6.6
513.31384	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	513.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47732	0.3
52.60766	0.3
55.01862	0.8
55.05500	0.7
57.07063	0.7
67.05503	0.5
69.07061	0.5
70.06594	0.6
71.08627	0.5
73.33459	0.3
79.05500	0.6
81.07068	0.7
88.07632	0.7
91.05486	0.9
93.07038	0.4
94.51654	0.3
95.08607	1.0
97.06511	0.4
102.09160	0.6
105.07012	0.6
107.08554	0.4
109.10141	0.4
115.59076	0.3
119.08630	0.4
122.06004	0.7
124.07572	0.4
131.08577	0.4
133.10149	0.4
135.89114	0.3
136.07579	1.1
145.10153	0.4
157.47508	0.3
159.11696	0.4
176.14336	0.6
187.48744	0.3
204.13855	0.4
222.14917	1.6
256.26382	1.1
283.26401	1.3
284.26639	0.4
493.18506	0.4
496.34048	0.4
512.50421	1.3
513.34015	100.0
514.34412	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	514.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69125	0.6
53.69644	0.5
55.01850	0.7
58.06587	1.8
67.05484	0.9
69.03417	1.6
70.06586	4.7
70.89320	0.7
72.08157	0.8
73.02900	0.8
78.30826	0.6
79.05481	1.8
80.63802	0.6
80.95808	0.6
81.03416	1.1
81.07043	0.9
85.02910	3.3
87.04469	0.9
88.89099	0.5
91.05470	2.0
93.07027	0.9
94.06570	0.8
95.04967	1.2
96.08146	0.7
97.02874	1.1
105.03394	2.0
105.07053	1.0
107.04935	0.8
107.08582	2.6
108.08122	1.5
109.02829	0.8
109.10140	0.7
109.14058	0.6
111.04414	0.9
112.07579	2.2
112.31550	0.6
115.03894	0.7
115.05463	0.7
117.07040	1.5
119.04905	1.2
121.06475	0.7
124.07608	0.7
125.02328	0.8
127.03930	0.9
129.06992	2.9
131.04898	0.6
131.08563	0.9
137.02225	0.7
137.05968	2.1
138.09166	0.7
140.07059	2.4
141.06987	1.2
143.08546	1.0
149.09497	0.7
149.83156	0.6
151.03860	1.1
151.07619	0.8
153.06975	1.1
153.09105	2.0
155.08575	1.7
155.10616	0.9
157.06503	0.6
158.09712	1.0
159.08043	0.8
159.12625	0.5
161.05991	0.6
165.06978	1.2
167.08537	1.3
167.10623	0.9
171.07933	0.6
171.10152	3.1
174.11909	0.7
177.05396	0.8
178.07716	0.8
179.08572	1.7
181.10103	1.2
183.08029	1.0
184.11107	0.7
185.11746	1.9
189.05467	0.6
193.10106	0.8
195.07944	0.8
196.11308	0.8
202.12238	1.9
203.08577	0.8
203.12740	3.7
204.04224	0.6
205.10167	1.1
207.08078	0.7
209.09598	1.1
219.84839	0.7
221.09601	1.2
223.11182	0.9
233.09572	1.3
235.11211	0.7
237.09059	0.9
251.10519	1.1
253.12241	1.2
256.74014	0.6
263.10510	0.7
264.13635	0.6
322.14383	1.1
340.15338	0.8
344.18723	0.9
354.16830	0.9
358.20209	1.5
360.17789	1.7
362.19821	0.6
372.17810	1.3
376.21265	1.2
386.19437	1.2
390.18900	1.5
394.22021	3.0
404.20651	2.7
418.22455	3.9
422.21347	2.8
436.23322	4.4
437.23486	0.9
454.24243	21.8
482.23901	2.5
483.24298	0.8
496.26602	3.8
514.26459	100.0
515.26855	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	514.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45992	0.4
58.06598	1.3
67.05502	0.6
69.39182	2.1
70.06593	1.6
71.04990	0.6
74.06087	0.7
75.04479	1.1
79.05461	1.0
81.03414	0.5
82.06571	1.6
84.08131	0.8
85.02891	2.2
87.04428	0.6
91.05465	1.2
94.06561	1.5
95.04951	0.6
96.08129	0.4
97.02886	0.8
105.07020	0.8
107.04935	0.9
108.08114	1.5
109.06522	0.9
111.04396	0.5
115.05460	0.8
117.07021	0.8
121.06470	0.7
124.07636	0.8
125.02340	2.0
128.06210	0.8
129.06970	2.2
131.08597	0.9
135.04343	0.4
137.05936	0.9
138.09129	2.0
141.06946	1.2
143.08464	0.8
145.06479	0.9
146.09657	0.7
153.06921	0.9
155.08557	1.3
157.06435	0.8
157.10107	0.8
159.08092	0.6
162.09106	0.7
165.06984	1.0
167.08632	1.2
169.06493	0.5
169.10217	0.5
170.09593	0.8
171.08086	1.0
172.11331	0.9
179.08594	0.9
181.10178	0.9
182.09604	0.6
183.08109	1.1
184.11284	0.5
185.09700	0.8
190.07719	1.0
191.08588	1.2
193.10097	1.0
195.08032	1.0
196.11353	0.7
197.09627	0.7
198.12764	0.7
203.08492	1.1
205.10211	1.1
207.08031	0.8
208.11186	0.5
209.09486	0.5
219.08122	0.6
221.09673	0.8
223.11145	1.0
233.09583	1.6
235.11127	0.7
251.10637	1.0
276.14044	0.5
295.26636	0.5
308.76431	0.5
354.17047	0.9
372.17902	1.2
386.19727	0.6
390.19199	0.7
404.20615	1.3
406.18805	3.6
414.19272	0.5
420.20175	1.1
422.21725	2.6
432.20276	0.8
434.21701	0.5
436.23300	0.9
446.21768	1.9
450.20859	0.8
454.24252	6.5
464.22665	2.1
478.24237	5.2
482.23712	1.7
496.25601	2.9
514.26416	100.0
515.26752	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	514.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.6
61.59219	0.3
67.05489	0.6
69.03411	0.7
69.74534	0.9
70.06590	1.1
70.29307	0.3
71.04978	0.4
75.04468	0.5
79.05468	0.7
81.03416	0.4
81.07026	0.5
84.08168	0.4
85.02897	0.9
91.05472	0.9
94.06577	0.7
95.04940	0.6
96.08147	0.3
97.02890	0.5
98.03783	0.3
103.05497	0.4
105.07038	1.0
107.04932	0.8
107.08558	0.5
108.08128	0.9
109.06509	0.7
111.04434	0.6
117.07003	0.9
119.04948	0.5
119.08593	0.4
120.08119	0.6
121.06496	1.0
122.09573	0.3
123.04379	0.5
124.07639	0.3
125.05978	0.3
128.06219	0.5
129.06987	1.6
131.04912	0.3
131.07339	0.3
131.08499	0.7
133.06543	0.3
134.09656	0.5
136.06175	1.8
136.07549	0.3
137.05952	1.4
138.09123	0.9
141.06953	0.6
143.08492	0.6
144.08035	0.3
145.06451	0.7
147.08063	0.4
150.09085	0.3
151.03905	0.5
151.07555	0.3
153.06978	0.5
155.08566	0.9
157.06483	0.5
158.09660	0.5
159.08052	0.7
159.10272	0.3
165.06981	0.9
165.11516	0.3
166.07712	0.4
167.08508	1.0
169.06561	0.4
169.10109	0.5
170.09618	0.4
171.08054	0.4
171.10201	0.6
172.11270	1.0
173.09576	0.3
176.10757	0.5
178.07773	0.8
178.12227	0.3
179.08543	1.1
181.06445	0.4
181.10150	1.1
182.09671	0.5
183.08083	0.7
184.11241	0.8
191.08580	1.0
192.09332	0.4
193.10187	0.7
195.07982	0.6
195.11722	0.5
196.11226	0.4
197.09579	0.6
197.11803	0.3
202.07739	0.6
202.12251	3.1
203.08601	0.7
203.12823	0.5
204.09415	0.3
204.13930	0.5
205.10147	1.3
207.08005	0.8
209.09639	1.2
214.12256	0.4
215.08611	0.6
217.10155	0.5
219.08034	0.6
220.11798	1.0
221.09576	0.7
222.14842	0.4
223.11162	0.8
228.13795	0.4
233.09660	0.9
235.11214	0.9
237.09091	0.6
239.10803	0.6
244.09482	0.3
247.15689	0.7
250.12338	0.3
251.10635	1.1
261.09006	0.7
263.10602	0.6
265.12207	0.4
268.13379	0.7
279.10156	0.3
293.11746	0.5
307.32190	0.3
312.16074	0.4
318.16888	0.7
326.17307	0.5
328.15109	0.3
330.17007	0.8
340.15457	0.9
344.18564	1.0
346.16309	0.9
354.17007	1.2
358.20139	1.3
360.17993	1.1
362.19528	0.7
369.08575	0.3
372.17935	1.5
376.20871	1.9
382.17145	1.0
386.19354	1.4
390.18936	0.6
392.20651	1.5
394.22250	3.9
404.20569	3.0
418.22052	3.4
422.21600	2.2
436.23273	3.7
454.24280	25.7
455.24774	1.2
478.24469	0.7
496.25137	0.4
514.26398	100.0
515.26715	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	514.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
56.05031	2.5
58.06590	9.8
67.05482	1.0
71.04974	0.8
72.08134	1.3
77.03901	0.7
79.05476	1.3
80.05011	0.6
81.03363	0.4
81.07033	0.7
83.04966	1.0
84.08132	2.0
86.09673	0.6
90.24792	0.4
91.05476	3.4
93.07032	0.9
94.06521	0.7
95.04946	2.8
95.79422	0.4
96.08136	0.9
98.09686	0.8
98.22691	0.9
105.02674	1.1
105.03373	16.4
105.04483	1.0
105.07019	2.4
107.04932	6.1
108.08089	5.9
109.06496	0.5
117.07003	2.1
121.08891	0.9
122.09650	5.8
123.04427	0.6
123.10426	0.6
124.11215	1.6
128.06230	0.7
129.06989	1.7
131.08540	2.8
133.10123	1.5
140.10698	0.7
141.06955	1.7
143.08534	2.2
145.10092	2.4
147.07991	0.5
153.06937	0.5
154.07745	0.6
155.08531	2.0
157.06537	0.5
157.10118	1.5
159.08080	0.5
165.06993	1.4
167.08562	1.7
169.10117	1.8
171.11699	0.8
174.12727	0.6
178.07745	0.8
179.08525	1.5
180.09413	0.8
181.10069	0.8
188.14333	0.7
193.10143	1.0
195.11687	1.0
197.09619	0.6
197.13261	0.8
205.10036	0.6
207.11656	1.3
219.11719	0.6
221.13301	0.7
223.11205	0.7
225.86145	0.5
233.13022	0.5
233.98642	0.5
241.12231	0.4
244.13371	0.7
324.19586	1.5
342.20557	1.4
356.22275	1.0
360.21683	1.2
374.22995	0.5
446.23428	1.0
464.24280	3.5
478.25671	2.3
482.25278	16.2
483.25888	0.9
496.26880	4.0
514.27911	100.0
515.28235	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	514.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03933	0.6
56.05030	1.1
58.06593	7.1
61.59650	0.3
67.05495	0.7
69.54139	1.2
69.95648	0.2
71.04960	0.3
72.08147	3.7
72.08523	0.4
77.03925	0.9
79.05489	1.0
80.05015	0.3
81.07077	0.5
84.08134	1.0
86.09700	3.8
91.05479	2.1
93.07020	1.2
93.98976	0.2
95.04964	2.5
98.09684	0.9
102.09185	1.1
105.03383	24.2
105.04512	1.1
105.07024	1.2
106.03710	0.4
107.04965	0.7
108.08106	5.0
110.09668	0.3
111.89320	0.2
114.09167	0.3
115.05444	0.3
117.07018	0.8
119.04955	0.5
119.08590	0.7
121.06542	0.4
121.08838	0.3
122.09655	2.5
123.04438	0.3
123.10321	0.2
124.11207	2.1
125.83707	0.2
128.06216	0.8
128.10753	0.3
129.06967	1.7
131.08553	1.9
133.06468	0.3
140.10693	0.6
141.06976	1.6
142.07788	0.3
143.08549	1.4
143.62209	0.2
145.06470	0.5
145.10144	0.4
152.10721	0.9
153.06961	0.7
154.12250	4.3
155.07448	0.3
155.08502	1.5
157.10120	0.7
159.08138	0.3
161.09592	0.3
164.26099	0.3
165.06984	0.8
166.07796	0.7
167.08519	1.2
169.10118	0.9
171.08118	0.3
172.11249	0.5
174.12805	0.6
178.07794	0.6
179.08563	1.0
181.10153	0.8
183.11710	0.7
186.12791	0.6
192.09364	0.5
193.10178	0.8
194.10771	0.3
195.11723	0.9
197.13290	0.3
198.12706	0.4
200.14420	0.8
203.08600	0.3
205.10268	0.6
207.11765	0.7
211.11227	0.4
211.74619	0.2
215.08556	0.4
221.13208	0.5
223.11139	0.3
225.12735	0.5
233.79250	0.2
249.12750	0.4
251.14221	0.4
312.19623	0.4
324.19540	0.6
338.21338	0.4
356.22211	1.3
363.08243	0.2
374.23068	1.2
392.24069	0.3
446.23260	2.1
460.24673	0.9
464.24530	0.3
478.25867	5.4
496.26880	11.4
497.27179	0.8
514.27942	100.0
515.28339	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	514.3162
Annotation	(-)-Bisparthenolidine
Peak:m/z	Relative Intensity
56.50834	0.4
57.07069	5.8
58.06598	2.0
62.94696	0.4
67.05492	0.7
68.99794	0.4
70.06584	0.9
77.06124	0.4
77.94037	0.5
79.05490	1.6
81.07051	1.2
84.08154	0.4
85.02920	0.9
86.06055	0.8
91.05463	2.0
93.07044	1.8
94.06561	0.5
95.04952	0.9
95.08599	1.0
96.08101	0.6
98.06051	0.6
100.44333	0.4
105.03430	0.5
105.07020	4.3
107.08603	1.0
108.08140	1.1
109.10187	0.6
110.06092	0.7
117.07002	1.0
119.08543	2.0
120.08061	0.7
121.08856	0.5
121.10156	0.5
127.03941	0.5
129.07013	1.6
131.08521	2.2
132.08109	0.5
133.10138	0.6
133.48665	0.5
141.07011	1.0
143.08604	2.4
144.08078	0.6
144.47643	0.4
145.06447	0.6
145.10133	1.0
146.09645	1.1
149.09576	0.6
155.08545	2.5
157.10136	1.3
158.09641	6.6
159.10437	1.0
159.11719	0.9
160.11214	3.1
162.12796	0.7
165.07013	1.2
166.07791	0.6
167.08553	0.7
169.10159	1.8
171.11758	0.8
172.11252	0.5
174.12651	0.4
177.09273	0.4
179.08554	1.4
180.09390	0.8
181.10161	1.6
183.11713	1.0
185.13272	1.9
186.12709	0.6
193.10176	1.4
194.10854	0.5
195.11646	2.7
205.10083	0.6
206.10957	0.9
207.11708	0.9
209.13242	1.2
211.14723	0.9
221.13264	1.5
228.13750	0.4
247.14998	0.6
278.18896	0.5
280.17017	0.5
288.85178	0.5
296.20065	5.0
299.19855	0.6
305.09485	0.7
306.18607	2.1
317.20920	0.8
324.19528	13.5
325.19952	0.5
342.20599	1.8
396.76221	0.4
398.26813	7.8
398.31641	0.7
399.27283	0.6
408.25381	0.6
412.24805	2.2
426.26343	34.7
427.26776	2.5
444.27081	0.6
455.71133	0.5
514.31647	100.0
515.31976	7.7
516.41852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	36.9
55.05508	2.0
67.05502	14.2
68.05025	24.8
69.03416	2.6
69.07059	3.1
70.02948	3.7
70.06576	7.8
71.04989	16.7
79.05477	10.3
80.05009	4.3
81.07043	11.0
82.06588	3.5
86.09706	4.0
91.05467	4.6
92.96027	1.6
93.07051	4.6
94.06582	5.5
95.04942	3.7
95.07320	2.3
96.08109	6.1
97.06527	10.7
98.06059	2.1
98.09696	6.6
105.07012	3.0
106.06552	9.8
107.08593	4.8
108.08108	6.2
109.06532	2.0
109.10158	7.4
118.06541	3.8
119.08546	3.6
120.04446	2.0
120.08100	6.0
121.08828	1.7
122.06011	88.8
124.07569	23.3
131.08572	2.1
133.10098	2.1
134.09621	4.6
135.68242	1.9
136.07561	32.6
137.09662	2.2
140.07036	15.9
148.07600	3.3
148.11185	2.4
152.07097	4.8
153.07843	4.4
170.48306	1.5
176.14323	41.7
186.12781	3.2
194.15364	3.0
204.13799	49.9
222.14851	100.0
223.15222	1.8
275.20148	3.2
496.34131	86.4
497.34091	2.7
513.50360	2.5
514.50824	2.1
515.31842	11.2
518.42041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87830	0.5
53.03913	0.9
55.05471	0.7
56.11293	0.5
67.05463	1.2
69.03382	1.4
69.07031	1.3
71.44551	0.5
77.03909	0.6
77.33113	0.5
79.05476	3.5
79.61852	0.5
81.03406	2.8
81.06991	2.1
83.00847	0.5
83.08585	0.7
85.02839	2.0
91.05425	1.5
93.06981	1.8
95.04948	2.8
95.08542	1.9
97.02847	1.2
99.04449	0.5
105.03357	0.7
105.06977	1.9
107.04941	9.9
107.08535	1.7
109.02811	2.2
109.06469	0.7
109.10107	1.4
119.08486	1.6
121.02817	0.7
121.06438	0.8
121.10083	1.2
123.04356	1.3
125.05937	1.9
127.03860	3.4
129.06943	0.6
131.08527	0.6
133.04811	0.5
133.10048	0.8
135.04402	22.2
135.05453	1.6
145.10052	0.9
155.08464	0.8
157.09998	0.7
159.11610	0.7
165.05443	30.5
171.11522	0.6
183.11516	0.6
195.11700	0.5
197.13239	0.8
234.07808	3.6
247.06364	0.6
247.08701	1.3
262.07242	3.3
263.07996	1.8
275.08124	1.9
277.09833	0.9
278.07532	1.2
280.09473	0.7
287.05365	1.2
290.08118	14.0
291.07629	3.6
292.09714	6.0
293.09177	1.4
303.07513	2.1
305.09143	85.8
306.06506	1.1
306.10031	2.8
307.10748	8.9
308.09134	1.8
319.07239	1.2
319.10709	1.6
320.08716	0.9
321.08591	8.0
322.10236	1.6
323.11386	1.8
335.10214	10.6
336.12241	24.5
337.12305	1.1
338.13773	7.9
351.13318	100.0
352.13635	3.8
431.97137	0.6
450.89041	0.6
483.15207	1.0
514.29364	0.7
515.18066	20.8
515.26666	1.7
515.29443	1.1
515.35773	3.9
516.18567	0.7
516.29681	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05491	1.4
56.55873	0.6
57.07057	0.7
58.06591	0.7
67.05505	3.2
67.86333	0.7
69.07045	1.4
79.05464	3.4
81.07045	3.0
83.08593	0.8
91.05453	2.0
93.07010	2.7
95.08584	2.3
97.06491	0.8
98.09717	0.7
98.22776	0.6
105.06985	2.1
106.06504	0.9
107.08555	1.7
109.10124	1.0
117.07057	0.9
119.08556	2.2
121.10118	1.2
122.05989	2.1
123.06330	1.0
124.07517	2.1
129.07018	0.9
131.08571	1.1
133.10040	0.7
136.07562	3.7
137.07881	0.8
143.08521	0.7
145.10046	1.6
199.14780	0.9
203.05203	0.8
204.13860	1.4
222.14828	3.9
223.15163	2.5
310.30341	0.7
312.25998	1.1
353.89429	0.7
515.31689	100.0
516.32092	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.4
55.05506	20.1
56.80038	2.0
57.03425	9.4
57.07087	3.5
59.07510	2.7
61.02921	4.4
67.05495	95.0
69.03421	5.2
69.07051	20.0
70.28154	5.4
71.04985	2.6
72.26910	2.2
79.05477	55.4
81.03438	2.7
81.07044	100.0
83.04974	4.9
83.08605	8.9
85.02898	5.7
85.06526	2.8
91.05464	35.6
91.60710	2.3
93.07030	66.3
93.07595	4.0
95.04974	9.7
95.08592	76.1
96.41691	2.5
97.02889	5.1
97.06523	5.1
97.10164	5.1
99.08092	4.6
105.04466	2.5
105.07020	25.6
107.08583	39.5
109.06509	4.7
109.10138	40.1
109.32012	2.0
111.08102	3.7
117.07024	11.3
118.64291	2.1
119.08562	24.1
121.06463	2.6
121.10135	37.0
123.08104	3.3
123.11676	16.5
129.07040	3.0
131.08575	21.8
133.10088	18.3
134.30237	2.2
135.11678	27.2
137.09615	3.0
137.13275	5.2
143.08574	4.3
144.43715	2.3
145.10100	22.0
147.11655	12.6
149.09621	2.5
149.13235	19.7
151.14893	2.5
153.12714	2.9
155.08574	3.0
157.10167	2.7
159.11641	13.7
161.13237	9.8
163.11330	3.0
163.14793	12.9
165.12714	3.1
173.13234	14.1
175.14784	4.7
177.16364	4.4
179.14227	3.9
185.13379	2.4
187.14841	9.6
201.16385	4.8
243.21036	26.7
261.22101	67.3
262.22513	2.6
279.23282	4.1
335.25714	17.4
353.26816	12.0
497.31128	2.5
515.33417	6.4
522.31396	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
54.35272	2.2
54.84576	2.6
55.01860	4.3
55.05504	23.5
57.03428	8.8
57.07066	3.4
58.56826	2.4
61.02917	3.4
65.03943	4.1
67.05499	94.2
69.03419	6.0
69.07056	17.9
71.04951	4.5
79.05482	77.4
79.05941	4.8
81.03400	6.8
81.07048	93.9
83.04981	5.4
83.08604	13.0
85.02891	5.0
85.06498	4.2
91.05469	49.8
93.07032	74.6
95.04954	15.1
95.08015	4.5
95.08598	72.3
95.52112	2.5
97.02890	4.4
97.06526	8.3
97.10186	3.8
98.23432	7.0
99.04410	2.6
99.08112	3.4
104.31563	2.4
105.04519	3.0
105.07014	34.9
107.04960	4.0
107.08582	40.0
109.06510	7.9
109.10152	36.5
110.32510	2.7
111.08119	3.3
117.06982	13.6
119.08572	25.4
121.10120	47.8
123.08076	4.2
123.11694	15.4
125.09673	2.8
127.03902	3.1
129.06969	5.2
131.08548	31.3
133.10109	19.4
135.08058	3.3
135.11688	35.7
137.09665	3.0
137.13223	4.3
139.11143	3.5
143.08557	4.9
145.10094	26.0
147.11681	16.5
149.09540	3.1
149.13226	22.1
155.08525	3.1
159.11658	22.6
161.09612	3.0
161.13257	14.8
163.11169	4.0
163.14795	15.4
165.12712	3.0
173.13246	17.7
175.14778	6.1
177.12779	2.9
177.16403	5.0
179.14328	2.6
181.10092	2.8
185.13232	4.1
187.14769	7.3
201.16362	3.9
233.22804	3.6
243.21005	27.7
261.22104	100.0
335.25897	10.5
353.26758	12.5
369.24164	4.6
377.35965	2.5
405.26746	2.9
454.82944	2.6
466.20770	2.8
515.33844	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	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.05509	21.4
57.03435	10.4
65.03936	5.1
67.05492	89.3
69.03411	9.6
69.07052	25.5
73.02888	4.5
79.05485	60.4
80.03216	3.9
81.03417	11.2
81.07048	100.0
83.04954	7.7
83.08621	7.8
85.02882	7.3
91.05466	34.7
93.07035	63.1
95.04950	9.3
95.08591	62.5
97.02856	5.5
97.06535	5.8
99.08108	5.6
105.03479	4.4
105.07034	31.1
106.06692	4.1
107.08587	38.1
109.06509	10.6
109.10134	28.9
117.07011	14.9
118.88174	3.8
119.08571	24.0
121.10120	35.4
123.11691	17.6
129.06961	5.7
131.08542	25.6
133.10127	14.3
135.08005	6.4
135.11700	20.4
143.08537	5.4
145.10091	21.3
147.11707	10.2
149.13251	18.9
151.11176	6.5
155.08595	7.4
159.11681	18.2
161.13242	9.5
163.14835	11.7
171.30728	4.2
173.13245	20.3
187.14833	8.7
201.12752	4.4
243.21085	13.6
259.10992	4.1
261.22049	56.7
272.12506	5.0
335.25644	13.9
345.24008	4.7
353.26785	11.1
354.95468	4.1
387.25476	4.6
405.26056	4.5
497.31223	6.7
515.20544	8.4
515.33795	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	515.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	1.4
51.39834	1.0
53.03915	4.2
55.01860	7.9
55.05259	1.6
55.05500	19.8
57.03420	2.5
57.07042	1.9
65.03902	3.4
67.05492	40.8
67.66859	1.1
69.03402	2.7
69.07049	10.5
69.26163	6.7
70.06588	1.5
71.04955	3.9
77.03889	2.7
79.05478	77.8
81.03363	4.1
81.07044	39.4
83.04948	3.5
83.08606	12.0
85.06502	1.8
91.05460	33.8
93.07028	83.7
95.04951	17.8
95.08588	48.8
97.02866	3.6
97.06510	6.5
97.10145	2.6
98.09667	1.6
98.23450	1.8
99.04409	5.3
99.08064	2.0
103.05418	2.0
105.04459	4.4
105.06364	1.5
105.07006	22.0
107.04935	9.5
107.08572	38.4
108.08116	1.1
109.06470	4.1
109.10140	7.2
111.04392	1.5
111.08046	2.8
117.06989	14.9
119.08562	19.4
121.06487	6.5
121.10113	34.5
121.11409	1.4
122.05975	1.1
123.08051	1.5
123.11720	1.4
124.07549	2.9
125.05927	2.6
125.09540	1.5
129.06955	2.7
130.07751	1.6
131.08528	10.4
133.10109	9.6
135.08028	3.4
135.11665	56.4
136.07523	5.4
139.07481	2.3
143.08461	3.3
145.06548	1.2
145.08954	2.0
145.10095	36.7
147.11595	4.1
149.09560	1.6
149.13234	3.7
157.10127	2.2
159.11586	4.9
161.13188	1.3
163.11150	58.5
171.06007	1.2
171.11667	1.5
173.09593	1.3
173.13164	3.3
176.14244	1.2
181.12152	16.2
186.23909	1.2
198.97403	2.6
204.13792	2.2
205.14064	1.7
209.11623	2.9
215.17863	5.7
222.14755	5.6
223.15094	3.3
227.12738	100.0
228.12932	1.7
233.18854	3.7
283.15302	2.3
497.33466	1.6
515.22339	1.9
515.33337	44.7
516.33441	3.3
523.56830	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.7
51.02362	0.8
53.03936	3.2
55.01863	7.9
55.05507	24.6
57.03434	3.7
57.07061	2.2
59.04993	1.2
61.58240	0.6
65.03922	2.3
67.05494	34.3
68.05811	0.8
69.03419	1.7
69.07060	9.3
69.86806	1.0
69.87141	1.2
71.01364	0.7
71.04986	3.7
71.08614	0.7
74.03905	0.8
76.33630	0.7
77.03930	1.1
79.05484	47.2
81.03410	9.7
81.07047	33.0
83.01339	3.3
83.04971	7.3
83.08613	10.7
84.56721	0.7
85.02899	2.4
85.06528	1.5
89.15105	0.8
91.05468	30.0
93.07033	43.0
95.04957	14.8
95.08013	1.3
95.08598	19.6
97.06501	5.6
97.10149	9.9
99.04464	0.9
99.08058	1.1
103.05460	1.3
105.04505	3.2
105.07018	21.8
107.04955	6.2
107.08575	18.6
107.09248	1.4
109.06509	5.8
109.10130	8.0
111.04471	1.6
111.08060	2.7
113.09565	0.9
115.05424	2.3
115.07569	0.9
117.07005	14.4
119.08566	14.3
121.06477	2.9
121.10133	24.4
122.06010	0.8
123.08041	5.2
123.11695	2.4
124.07597	1.6
125.05998	1.5
125.09613	7.8
128.06210	1.2
129.05429	1.0
129.06989	6.9
130.07750	2.3
131.08549	17.8
133.10106	12.6
135.08017	3.9
135.11685	13.9
136.07559	2.2
137.07916	1.0
137.09610	2.1
139.11140	0.9
141.06927	2.2
141.19353	0.7
142.07747	1.1
143.08559	6.7
145.06456	3.2
145.10104	19.4
147.08028	2.6
147.11658	6.3
149.06026	0.7
149.09599	2.6
149.13261	2.9
153.09117	1.4
153.12724	2.7
155.08563	5.3
157.06454	1.3
157.10117	7.0
159.08034	1.7
159.11664	9.3
161.09624	1.1
161.13223	3.5
163.11148	15.2
163.12427	1.2
167.08582	1.8
169.10107	5.0
171.08038	1.8
171.10420	1.1
171.11662	5.9
173.08305	0.6
173.09552	4.1
173.13222	6.7
175.11288	1.5
176.14308	0.8
181.10133	2.3
181.12227	2.2
183.11684	2.9
185.09619	2.2
185.13243	3.5
187.11191	1.5
187.14818	2.7
189.11179	3.9
189.12720	1.5
191.10670	3.2
193.10139	1.1
193.12251	1.4
195.11664	2.3
197.13202	2.7
199.11205	1.5
199.14819	1.0
201.12666	0.8
204.13716	1.7
207.11642	1.4
209.11638	3.4
209.13393	1.3
211.14781	1.4
213.12804	2.2
213.16344	2.8
215.17896	5.0
221.13315	1.1
222.14897	2.3
223.15071	2.1
227.12640	6.2
231.17487	2.0
233.18964	3.1
237.16426	1.6
243.21118	1.1
251.17943	1.4
253.19478	1.7
255.17288	2.0
265.14371	1.3
267.15775	0.9
269.19012	0.9
271.20523	9.1
273.18381	1.9
283.15234	4.3
283.20432	1.0
305.21078	1.1
311.20148	0.8
313.21555	1.0
325.21625	1.4
327.23035	0.8
329.21063	1.5
387.26672	1.7
395.29565	0.8
405.27850	4.4
423.28748	9.0
441.29980	3.4
459.31119	1.3
479.31342	1.4
497.32611	10.0
515.33563	100.0
516.33984	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46960	1.2
55.01866	1.8
55.05495	1.5
57.03425	1.9
61.02919	1.9
65.03935	3.7
69.03430	9.3
69.95142	3.6
71.04971	1.2
71.31875	1.3
81.03397	3.3
83.04964	1.9
85.02894	28.8
86.56223	1.3
93.03392	6.6
97.02908	8.1
104.65675	1.3
106.02906	1.9
109.02873	3.9
111.04418	5.4
121.02801	6.3
127.03891	4.9
134.02359	15.8
136.03915	4.4
138.05507	9.5
145.04924	3.3
150.05470	2.6
151.02661	2.6
166.04977	51.3
170.05928	3.1
187.06276	2.6
188.03610	1.3
192.02884	45.3
194.04460	34.0
196.79805	1.3
197.04752	1.9
198.05516	4.6
198.07600	25.5
199.06239	3.5
202.08598	1.3
208.06053	1.4
210.05392	1.4
212.07043	2.7
215.05699	8.4
216.06416	2.5
217.07346	1.7
220.06047	4.4
227.05724	2.9
230.04529	2.8
230.08101	14.8
242.08093	11.2
243.05249	4.6
244.06047	10.6
246.07529	2.1
248.09143	5.0
258.04028	4.0
258.07590	20.9
268.06055	10.2
269.39053	1.6
276.08612	8.7
286.07056	84.7
287.07556	1.5
300.08633	1.4
304.08105	100.0
305.08395	4.0
318.09647	19.0
322.09171	4.8
336.10712	17.1
354.11801	1.4
386.51031	1.2
416.06647	1.4
466.13184	4.5
484.14539	4.1
516.26654	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01870	0.3
55.05510	0.4
56.05033	0.5
58.06322	0.5
58.06592	4.2
67.05466	0.6
67.59044	0.2
70.62096	0.3
72.08138	1.4
77.03928	0.4
79.05476	1.4
80.05022	0.7
81.03413	0.4
81.07062	0.6
83.04966	0.7
84.08144	1.6
86.09689	0.9
88.07629	0.4
91.05465	2.6
93.07034	0.7
94.06551	0.4
95.04954	2.3
96.08108	0.5
98.22719	0.3
103.05458	0.3
104.49074	0.3
105.03381	13.2
105.04497	0.6
105.07003	2.1
107.04943	7.9
107.05666	0.5
108.08109	6.9
109.06535	0.6
110.09678	0.4
111.04497	0.3
112.07624	0.5
112.44920	0.3
114.09194	0.7
115.05453	0.5
117.07043	1.8
119.08547	0.6
121.02831	0.8
121.06484	0.5
121.08885	0.6
122.09655	3.2
123.04453	0.5
124.11215	0.6
128.06232	1.4
130.07761	0.3
131.08553	2.3
133.06461	0.5
133.10149	0.7
135.04468	0.5
138.09067	0.3
141.06998	1.0
142.08604	0.3
143.08559	2.4
145.06503	0.8
145.10123	0.4
147.08095	0.4
153.06973	0.4
155.08565	1.1
157.06496	0.6
157.10107	0.5
158.09637	0.4
159.08105	0.8
160.11232	0.5
161.09608	0.4
165.07048	0.7
166.07791	0.7
166.09239	0.3
167.08575	1.1
168.52625	0.3
169.10139	0.4
171.08064	0.6
171.11652	0.4
172.11288	0.5
173.09595	0.4
174.12801	0.4
179.08553	0.7
180.09381	0.5
181.10141	0.9
183.08058	0.4
186.12851	0.7
187.07593	0.3
188.14284	0.7
191.08569	0.4
192.09282	0.3
193.10161	0.9
195.11722	1.0
196.11076	0.3
197.09526	0.5
203.08714	0.3
205.10126	1.0
206.60040	0.3
207.11734	0.5
211.11179	0.4
213.09009	0.3
219.11739	0.4
223.11140	0.4
239.10738	0.5
242.11755	0.4
247.10876	0.3
249.12805	0.4
265.12372	0.4
310.18005	0.4
322.18103	0.6
340.19104	1.4
358.20145	1.5
376.21252	2.8
389.32855	0.3
394.22336	0.5
444.21661	0.4
462.22791	1.8
480.23770	5.0
498.17487	0.5
498.24820	10.2
499.25391	0.6
516.25867	100.0
517.26324	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	516.259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	0.5
58.09849	0.4
67.05491	0.5
69.03409	0.5
69.43002	2.0
70.06576	0.5
72.04512	1.0
79.05480	1.1
80.04985	0.9
81.03389	0.6
81.07048	1.2
85.02901	0.5
91.05479	2.2
93.07037	1.2
94.06548	1.3
95.04971	0.6
97.06526	0.7
105.03387	0.6
105.07031	3.4
107.04975	0.4
107.08595	0.5
115.05400	0.4
117.06997	1.4
119.08572	1.7
120.08106	0.5
121.06497	1.0
121.10090	0.5
123.04504	0.5
128.06192	0.7
130.06487	0.6
131.08537	2.5
132.08054	0.5
140.98254	0.4
141.06935	0.8
143.08549	3.0
144.08043	3.0
145.10060	0.9
146.09668	1.6
147.08032	1.0
155.08572	2.9
157.08882	0.5
157.10080	1.1
158.09642	0.8
160.07512	0.5
160.84996	0.5
165.06992	1.5
167.08528	1.5
169.10146	0.9
170.09698	0.6
171.08009	0.6
178.07777	1.3
179.08516	3.0
180.09283	0.8
181.10085	2.1
182.09526	0.6
191.08376	0.8
192.09348	1.5
193.10115	4.5
194.10873	1.5
195.07993	0.6
195.11693	1.3
197.13406	0.5
203.08574	0.7
204.09311	1.3
205.10132	1.0
206.10944	1.0
207.11673	3.1
209.13248	3.7
212.10339	0.4
215.08528	0.6
218.10812	0.6
219.11746	2.1
221.13283	0.9
223.14777	0.5
229.10204	0.5
230.10878	1.4
233.13226	0.8
235.11192	0.5
235.14784	1.8
236.14215	0.5
237.12665	1.0
237.15144	0.5
245.13246	1.1
246.12819	0.7
252.17522	0.6
260.14392	0.5
262.15927	2.4
263.14197	1.0
276.17325	0.8
280.16919	5.0
290.15344	1.6
298.18106	0.5
308.16434	4.2
322.18036	1.0
326.17508	2.5
340.18994	0.9
350.17572	0.5
354.13358	1.3
362.43417	0.4
368.18604	2.7
386.19644	0.7
428.20563	4.8
429.21063	0.5
442.21924	1.1
446.21667	2.7
456.24020	0.9
516.25781	100.0
517.26068	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	516.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.8
58.06591	5.5
69.66658	1.1
75.04468	1.2
79.05481	0.5
81.03409	0.5
84.08149	0.4
85.02891	0.9
87.04433	0.7
88.07607	0.5
91.05486	1.0
95.04939	0.4
97.02879	0.5
102.09165	0.5
105.07016	0.6
108.08122	0.9
109.02882	0.4
109.06542	0.5
111.04436	0.6
112.57392	0.4
117.07043	1.0
121.02827	0.4
123.04421	0.6
125.02376	0.6
125.06020	1.1
128.06204	0.9
131.08583	0.9
137.05954	0.5
139.03894	0.6
141.06935	1.0
142.07719	0.4
143.08536	1.2
152.10687	0.7
153.06987	0.7
155.08569	0.9
156.08138	0.4
157.06468	0.6
158.07300	0.4
158.09654	0.9
159.08057	1.1
159.10448	0.4
160.11176	1.2
161.09621	0.5
165.06947	0.8
167.08540	0.8
169.06459	0.8
171.06702	0.4
171.08015	0.8
172.11131	0.9
173.09567	1.0
179.08548	1.3
181.10121	0.7
182.11810	0.6
183.08040	0.6
184.11259	1.6
186.12813	0.6
188.10640	0.5
191.08597	0.5
193.10062	0.9
195.07950	0.7
197.09505	0.7
201.09152	0.6
202.12245	0.5
205.10114	0.7
206.07231	0.5
207.08072	0.7
209.09633	0.7
210.12785	0.4
212.10667	0.5
214.12282	0.6
221.09634	1.0
223.07498	0.6
226.12257	0.4
231.08110	0.6
235.11174	0.5
239.10704	0.5
244.13332	0.7
249.09094	0.6
262.12192	0.4
281.11682	0.4
304.08289	0.5
340.15009	0.5
376.17630	0.6
384.17834	0.7
402.18848	0.5
416.20599	0.6
434.21756	4.0
452.22665	1.9
466.24332	12.5
467.24655	0.8
484.25424	3.3
498.26752	2.1
516.27979	100.0
517.28326	5.1
532.77362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49393	0.5
56.05028	1.2
57.57137	0.5
58.06594	5.4
60.78988	0.5
61.52556	0.5
64.89930	0.5
71.25299	0.6
73.86205	0.5
75.04471	1.4
84.01897	0.6
84.08125	0.6
85.02896	0.9
87.04455	0.8
87.11798	0.5
90.98176	0.5
91.05499	1.0
94.51458	0.4
95.05006	0.6
97.02901	0.7
108.08080	0.6
111.04433	1.0
122.09656	0.5
123.04441	0.7
128.06229	1.0
130.06561	0.6
131.08543	1.0
139.03873	0.6
141.06987	1.6
143.08524	1.7
145.06435	0.8
148.41003	0.5
152.10703	0.7
155.08583	1.4
158.09624	0.7
159.07991	1.2
160.11223	1.1
165.07028	0.6
167.08614	0.6
171.08107	0.8
173.09636	0.5
179.08533	0.9
181.10201	0.6
182.11763	0.5
183.07906	0.7
184.11273	0.9
186.12810	0.7
191.08614	0.7
199.07550	0.6
203.08600	0.9
214.12436	0.7
221.09630	0.7
340.15286	0.5
390.19150	0.6
402.19199	1.1
407.30975	0.5
416.20581	0.6
420.19867	0.7
434.21634	3.9
466.24258	10.4
484.25412	2.3
498.26941	1.4
516.27966	100.0
517.28235	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	516.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.2
56.05023	0.3
57.07069	5.6
58.06603	0.7
58.08754	0.2
59.03720	0.3
62.08726	0.2
64.05777	0.2
67.05493	0.5
69.03439	0.3
69.07070	0.2
69.82295	0.3
70.06592	0.4
72.04499	0.7
74.06065	1.7
79.05499	1.2
81.07049	1.0
82.06565	0.4
83.83365	0.2
91.05460	1.8
93.07029	1.4
94.06544	0.6
95.04966	0.5
95.08606	0.7
96.08115	1.0
97.06530	0.2
98.06068	0.3
105.07028	2.1
107.04908	0.3
107.07334	0.4
107.08583	0.3
108.08121	0.8
109.06531	0.3
110.06013	1.3
110.09743	0.3
112.07647	0.8
115.05402	0.3
117.07014	1.2
119.04930	0.5
119.08562	1.1
121.06493	0.8
121.08839	0.3
121.10153	0.4
122.09644	0.3
124.07574	0.3
128.06229	0.4
131.07372	0.2
131.08571	1.3
132.08083	1.1
132.88895	0.2
133.06496	0.3
133.10175	0.3
134.09654	0.6
136.07596	0.4
141.06987	0.6
143.08540	1.4
144.08076	0.4
145.06480	0.4
145.10078	0.5
146.09628	1.3
146.51268	0.2
147.08005	0.5
148.07591	0.2
148.11191	0.9
149.06020	0.2
150.12709	1.0
155.08531	2.2
157.06520	0.3
157.08897	1.2
157.10164	0.8
158.09624	5.0
159.08070	0.3
159.10410	0.4
160.07555	0.4
160.11215	0.8
161.08424	0.3
161.09654	0.5
162.09084	1.3
162.12784	0.2
164.10677	0.3
165.07036	0.8
166.07762	0.3
167.08578	1.2
169.10092	1.1
171.08069	0.3
171.11742	0.3
173.09674	0.3
174.09122	5.8
174.12862	0.4
175.09904	1.0
176.10669	2.5
177.09171	0.4
178.07837	0.7
178.12277	0.3
179.08566	0.9
180.09332	0.9
181.10091	1.8
182.10922	0.3
183.08199	0.2
183.11736	0.9
188.10658	0.3
190.12277	0.4
191.08528	0.3
192.09448	0.8
192.13780	0.3
193.10085	1.3
194.10870	0.4
195.11671	3.0
197.09717	0.3
197.13304	0.6
202.12332	0.2
204.09383	0.3
205.10150	0.5
206.10902	0.7
207.11719	0.9
209.09744	0.3
209.13290	1.2
211.11227	0.5
211.14853	0.4
217.10243	0.2
219.11702	0.9
220.13373	0.5
221.09689	0.4
221.13326	1.4
222.12805	0.3
223.11302	0.4
223.14821	0.6
224.14305	0.5
225.12718	0.3
226.12492	0.2
230.10841	0.3
233.13306	0.4
235.14775	1.1
236.14557	0.2
237.12686	0.3
237.16504	0.3
239.14290	0.3
245.13242	0.2
251.14366	0.6
252.13850	0.5
263.14301	0.4
266.03558	0.2
266.15543	0.5
266.19012	0.5
270.14810	0.2
276.17407	0.6
278.15201	0.3
284.19885	0.5
291.23105	0.4
294.18500	2.5
301.21481	0.3
304.16800	0.3
312.19525	4.1
322.17950	3.5
334.30930	0.2
340.19016	12.3
341.19492	0.5
356.18787	0.2
358.20020	2.2
408.43262	0.3
414.22668	1.1
414.26822	6.1
415.26968	0.3
424.24869	0.7
428.24493	0.3
442.25836	23.9
443.26086	1.3
460.26743	0.3
498.28177	0.3
516.29547	100.0
517.29901	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	516.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.7
55.15709	1.5
57.03438	1.8
57.07063	7.0
65.03910	1.4
67.05494	8.4
69.03420	3.4
69.07068	2.2
69.10827	9.0
70.35699	1.5
73.02892	1.3
74.06071	1.9
79.05482	6.4
81.03411	1.7
81.07037	21.2
81.07484	1.4
83.08607	1.6
85.02897	12.0
91.03971	1.9
91.05475	13.5
93.07021	14.7
95.04962	3.9
95.08591	47.2
97.02882	5.0
97.06525	2.2
97.10167	2.8
98.22700	3.6
105.07014	22.0
107.08576	11.7
109.10134	9.2
111.08084	2.9
112.07581	1.8
113.05971	1.5
115.91109	1.2
117.07042	7.9
119.08566	19.4
121.10123	13.6
123.08061	2.5
123.11700	3.4
127.03905	1.5
131.08548	12.9
132.08070	1.4
133.10088	13.7
135.11691	5.2
143.08580	7.5
145.04958	4.2
145.10109	18.5
147.08025	2.0
147.11668	21.2
148.11194	1.8
149.13264	4.3
153.78325	1.6
155.08580	3.1
157.09018	1.4
157.10086	7.7
158.09682	5.0
159.11659	16.3
161.13274	10.9
167.08534	1.6
170.46872	1.5
171.11737	5.3
173.13252	9.9
174.09215	4.9
175.14813	4.6
176.10663	3.5
177.12723	2.6
180.08569	8.7
181.10077	2.4
183.11739	2.4
185.13286	6.1
187.14836	4.2
189.16391	11.1
191.14366	4.5
195.11647	3.9
199.14719	9.2
201.16338	8.0
203.14366	4.0
205.12263	2.3
209.13347	2.2
213.16431	4.2
223.14789	1.8
225.16386	1.9
227.17873	14.1
245.19048	1.8
255.17387	1.5
255.18062	1.7
255.21042	32.9
256.21478	1.7
259.17029	2.0
265.19434	2.3
273.22073	63.4
274.22552	2.0
283.20572	9.6
291.23135	92.2
292.23569	2.5
294.18631	3.5
301.21570	94.0
302.22195	3.4
312.19705	4.5
319.22668	19.7
322.18146	4.9
340.18988	13.6
354.26367	2.4
358.20114	2.8
414.27057	7.6
442.25806	22.8
443.26157	1.8
473.16837	2.3
516.29602	100.0
517.29785	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	517.1333
Annotation	Kaempferol 3-(2'',4''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
55.01832	0.1
55.05506	0.7
58.06591	0.1
65.03937	0.2
67.05471	0.1
68.99767	0.7
69.03413	0.3
69.32100	0.2
69.32378	0.6
71.04964	0.2
79.05464	0.3
81.03415	0.1
83.04964	5.3
85.02878	0.3
87.04456	0.1
91.05431	0.2
93.07019	0.2
95.04951	0.3
95.08579	0.2
97.02879	0.2
98.03124	0.1
103.05444	0.2
105.03355	0.4
105.06979	0.2
107.04932	0.5
107.08560	0.3
109.02893	0.3
109.10164	0.1
111.00111	0.1
111.00771	0.8
111.04424	3.9
115.05436	0.1
119.08526	0.2
121.02850	3.5
121.03758	0.2
121.06481	0.2
127.03886	0.2
129.05421	0.3
129.06984	0.2
131.08560	0.2
133.02809	0.7
135.04416	0.2
137.02309	1.1
143.08548	0.1
145.02774	0.1
145.06450	0.3
145.10120	0.2
147.04414	0.9
153.01797	5.2
153.05388	0.3
157.06464	0.6
159.11574	0.1
161.05917	0.2
161.13028	0.1
165.01813	2.4
171.04405	0.3
171.06512	1.0
171.11674	0.1
180.59137	0.1
183.02864	1.1
185.05972	0.5
187.14830	0.2
188.15065	0.1
189.05499	0.1
194.01897	0.1
197.05887	0.3
203.03310	0.1
203.07089	0.2
213.05406	2.0
219.08112	0.1
229.04927	0.2
231.06456	0.9
241.04843	1.0
258.05243	1.3
259.06018	0.6
269.04501	0.1
287.05438	100.0
288.05780	2.4
455.09042	0.2
471.12170	0.2
516.31012	0.2
517.15765	0.9
519.77130	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.264
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
51.10500	1.8
55.05507	2.5
69.03415	6.7
69.07049	3.4
71.04984	4.8
79.05497	3.9
80.20166	2.3
81.03389	3.4
81.07053	5.8
81.62130	1.8
85.02905	9.8
86.09706	2.2
86.57841	2.3
91.05467	4.3
93.07024	2.3
95.08596	2.2
97.02872	2.6
105.07027	7.2
107.04905	2.5
107.08562	16.3
108.52527	2.0
109.06511	5.4
109.10162	6.2
117.06971	2.5
117.81455	2.1
119.08588	3.4
121.10149	8.6
125.94804	2.1
127.03903	2.6
129.05475	2.0
131.08592	3.2
133.10109	100.0
135.08023	9.9
137.05988	5.0
137.09599	53.2
145.02834	7.3
147.11598	2.3
149.13203	11.8
153.29102	2.1
163.14771	2.9
173.13271	5.3
177.05463	10.2
180.06491	20.8
187.11531	2.4
191.14281	52.3
209.15373	25.9
213.09557	2.3
324.10556	4.2
374.29184	2.0
517.26117	10.9
518.16284	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	517.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01857	7.1
55.05507	36.8
57.03432	10.3
57.07058	6.5
59.04979	3.3
65.03913	3.4
67.05496	70.2
69.03424	6.1
69.07066	17.3
69.70911	6.3
71.04976	7.0
79.05484	58.5
81.03407	22.4
81.07045	67.0
83.04981	8.7
83.08604	23.5
84.03066	1.7
85.06529	3.8
91.05467	40.5
93.07034	56.3
95.04955	23.6
95.08593	43.3
96.08992	2.0
97.06524	8.5
97.10158	27.0
99.08057	3.9
105.04544	3.4
105.07011	38.1
107.04929	10.7
107.08578	30.9
109.06496	10.1
109.10134	26.2
111.04408	2.4
111.08080	5.4
113.09695	2.1
115.05391	2.2
117.07005	22.1
117.81030	2.1
119.08555	29.8
121.06490	8.5
121.10126	26.6
123.04405	2.0
123.08045	6.7
123.11668	12.6
125.09601	23.1
128.06235	3.5
129.06996	12.3
131.08543	29.8
131.09439	2.5
132.33514	1.9
133.06445	5.0
133.10126	21.1
135.08055	10.8
135.11688	20.8
137.09583	4.5
137.13211	2.5
141.07018	2.2
142.07735	2.5
143.08534	11.4
145.06459	5.0
145.10100	25.3
147.08047	5.6
147.11662	17.5
149.09604	7.1
149.13263	8.0
153.09134	2.3
155.08530	3.4
157.10136	14.0
159.11700	18.5
161.09593	6.4
161.13258	10.2
163.11220	4.2
163.14748	3.5
165.12831	1.8
169.10176	7.1
171.08054	2.5
171.10388	2.2
171.11612	10.5
172.05649	2.0
172.57935	2.0
173.09599	2.6
173.11816	3.8
173.13150	13.3
175.11241	5.2
175.14824	5.3
177.12827	3.5
181.10146	2.3
183.11678	3.9
185.13278	7.4
187.11200	4.2
187.14807	5.1
189.09373	2.0
189.11214	11.7
189.12703	2.7
189.16353	2.8
191.14275	3.0
193.12202	10.1
195.11688	2.9
197.13304	3.8
199.14784	5.5
201.12814	3.0
205.19510	4.2
211.13063	3.2
211.14955	2.6
213.16512	2.2
215.17958	11.0
227.12756	14.0
233.15318	3.9
233.18925	18.6
236.41420	1.7
239.18027	2.9
247.16876	3.6
255.21204	5.5
257.19083	4.0
267.15851	23.3
271.20514	3.4
273.22083	19.8
275.20044	2.7
287.20276	2.0
289.18079	2.1
289.21722	2.4
301.18158	3.6
307.22620	17.5
313.21631	3.5
331.22610	3.4
358.86752	2.0
370.90042	2.0
389.28067	3.2
407.24496	3.6
407.29471	12.2
425.30353	17.9
443.31589	14.2
461.32513	2.4
481.32755	3.9
499.34143	61.2
500.34436	5.1
517.35211	100.0
518.35400	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	517.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.5
53.03937	4.9
55.01863	4.4
55.05505	33.8
57.03428	10.0
57.07067	2.7
59.04998	1.9
63.25705	0.8
65.03930	4.8
67.05497	64.2
68.05860	0.7
69.03421	5.4
69.07056	13.8
69.56961	2.1
69.57362	1.5
71.04984	5.9
71.08641	1.3
73.06544	0.7
77.03930	3.4
79.05484	100.0
80.05815	0.9
81.03024	0.8
81.03407	50.1
81.07047	61.3
82.07397	0.9
83.04967	10.9
83.08611	25.6
85.02895	27.1
85.06538	3.4
86.09681	1.1
91.05468	63.1
92.05763	1.0
93.07034	84.4
95.04958	40.0
95.08592	29.6
97.02863	1.8
97.06522	6.5
97.10144	8.9
98.23490	0.9
99.08082	6.1
103.05453	2.5
105.04520	6.3
105.07015	41.2
107.04933	5.6
107.08579	22.1
109.06516	6.4
109.10132	12.3
111.04466	3.0
111.08074	11.3
113.05996	2.6
115.05462	1.9
117.06997	10.4
119.08566	33.9
121.06516	2.0
121.10129	46.7
123.08035	5.1
123.11697	4.9
125.09609	7.4
128.06139	1.8
129.06995	12.0
131.08559	20.2
133.06491	2.2
133.10109	19.4
135.08072	1.6
135.11684	11.2
137.09608	2.2
139.11093	0.8
141.07010	1.3
142.07796	3.5
143.08578	3.5
144.09375	0.8
145.10112	12.0
145.11200	0.9
146.98184	1.2
147.08046	3.0
147.11665	16.4
149.09608	6.5
149.13239	2.5
151.11165	1.5
155.08604	2.4
157.10110	13.6
159.08026	0.8
159.11690	8.3
161.09680	0.8
161.13234	2.8
163.11186	2.0
165.12761	2.6
169.10188	2.9
171.11636	3.6
173.13170	5.5
175.11159	14.1
175.14810	2.0
177.12775	0.8
181.10071	1.3
182.29950	0.8
183.11707	2.8
185.13301	2.5
187.11407	1.1
187.14861	2.2
189.11285	1.9
193.12216	46.3
194.12535	1.5
195.11656	1.4
197.13251	1.6
209.13260	1.0
211.13257	48.2
212.13658	1.5
213.16483	0.9
215.17926	6.5
223.14944	0.9
227.12798	2.2
231.17473	0.9
233.18942	4.5
239.18073	1.6
245.19035	0.9
257.19070	1.9
267.15863	5.2
273.22211	2.6
283.80203	0.8
285.16867	3.6
307.22681	3.4
313.27319	1.1
341.24182	1.0
389.28323	1.5
407.29358	5.3
425.30621	4.1
443.31573	1.8
459.24841	2.3
481.32999	1.1
499.34094	16.2
517.35217	77.3
518.35077	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	517.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
54.74762	5.5
55.05503	31.3
57.03436	6.6
57.07071	13.2
59.70887	5.1
61.49220	5.2
66.15746	6.0
67.05499	62.4
69.03432	14.3
69.07060	57.3
71.05000	6.0
73.02898	8.4
79.05483	42.3
81.03400	11.7
81.07050	100.0
82.27309	5.9
83.08609	26.2
85.02879	12.6
85.06533	18.5
85.15105	5.2
91.05458	58.8
91.92735	5.5
93.07027	66.6
95.04959	17.9
95.08599	69.2
97.02887	16.2
97.06513	11.4
99.08064	9.0
103.05432	6.7
105.07018	80.0
107.04927	11.9
107.08588	64.9
109.02866	8.1
109.06506	21.9
109.10134	74.7
117.07011	18.6
119.08561	52.8
121.06485	48.6
121.10140	44.9
121.90772	5.0
123.08063	20.5
123.11692	71.1
125.09626	5.8
129.07002	8.7
131.08528	36.8
133.06482	19.0
133.10109	23.3
135.07996	27.3
135.11649	17.9
137.05914	6.8
137.09601	10.4
141.12759	10.8
142.07759	7.5
143.08563	29.4
144.58209	5.4
145.06514	12.9
145.10103	52.5
147.08020	18.8
147.11639	26.0
149.09622	11.2
149.13281	16.7
151.07494	7.2
155.08478	9.1
157.06464	8.1
157.10086	29.4
159.08044	28.5
159.11665	28.0
161.09586	24.0
161.13242	13.1
163.14810	14.0
167.08606	6.6
169.10040	14.0
171.08049	9.2
171.11694	17.7
173.09593	47.9
173.13220	14.3
175.11113	32.8
177.16377	15.4
181.10043	8.5
183.11751	10.9
185.09608	19.6
185.13136	12.3
187.11136	27.6
187.14806	11.6
189.12825	14.0
189.16243	6.3
193.10155	12.1
195.11711	16.1
197.13228	10.7
198.10504	8.1
199.11172	11.7
199.14958	8.4
201.12804	13.0
207.17288	6.0
209.13312	9.9
209.16479	6.9
211.11276	6.7
211.14726	13.4
212.12128	6.6
213.12750	38.4
213.16328	10.5
215.14235	8.6
221.13226	16.0
225.16400	11.7
227.14293	24.3
229.15868	7.6
231.13760	21.2
235.14771	6.1
239.14334	19.3
245.15376	20.2
249.14655	7.5
261.14825	7.4
263.16290	34.9
275.16327	19.9
277.17953	6.2
281.18958	10.8
289.17953	10.2
294.77441	5.5
297.21902	9.5
301.21353	6.2
303.19669	12.9
315.19525	35.7
315.22900	6.6
317.21014	35.1
329.21051	6.7
331.22586	18.9
355.22696	7.2
369.24490	7.3
379.35550	6.0
403.29730	9.8
421.30914	20.5
439.32043	41.9
457.33121	74.0
517.27252	11.7
517.35358	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.4
54.74762	5.5
55.05503	31.3
57.03436	6.6
57.07071	13.2
59.70887	5.1
61.49220	5.2
66.15746	6.0
67.05499	62.4
69.03432	14.3
69.07060	57.3
71.05000	6.0
73.02898	8.4
79.05483	42.3
81.03400	11.7
81.07050	100.0
82.27309	5.9
83.08609	26.2
85.02879	12.6
85.06533	18.5
85.15105	5.2
91.05458	58.8
91.92735	5.5
93.07027	66.6
95.04959	17.9
95.08599	69.2
97.02887	16.2
97.06513	11.4
99.08064	9.0
103.05432	6.7
105.07018	80.0
107.04927	11.9
107.08588	64.9
109.02866	8.1
109.06506	21.9
109.10134	74.7
117.07011	18.6
119.08561	52.8
121.06485	48.6
121.10140	44.9
121.90772	5.0
123.08063	20.5
123.11692	71.1
125.09626	5.8
129.07002	8.7
131.08528	36.8
133.06482	19.0
133.10109	23.3
135.07996	27.3
135.11649	17.9
137.05914	6.8
137.09601	10.4
141.12759	10.8
142.07759	7.5
143.08563	29.4
144.58209	5.4
145.06514	12.9
145.10103	52.5
147.08020	18.8
147.11639	26.0
149.09622	11.2
149.13281	16.7
151.07494	7.2
155.08478	9.1
157.06464	8.1
157.10086	29.4
159.08044	28.5
159.11665	28.0
161.09586	24.0
161.13242	13.1
163.14810	14.0
167.08606	6.6
169.10040	14.0
171.08049	9.2
171.11694	17.7
173.09593	47.9
173.13220	14.3
175.11113	32.8
177.16377	15.4
181.10043	8.5
183.11751	10.9
185.09608	19.6
185.13136	12.3
187.11136	27.6
187.14806	11.6
189.12825	14.0
189.16243	6.3
193.10155	12.1
195.11711	16.1
197.13228	10.7
198.10504	8.1
199.11172	11.7
199.14958	8.4
201.12804	13.0
207.17288	6.0
209.13312	9.9
209.16479	6.9
211.11276	6.7
211.14726	13.4
212.12128	6.6
213.12750	38.4
213.16328	10.5
215.14235	8.6
221.13226	16.0
225.16400	11.7
227.14293	24.3
229.15868	7.6
231.13760	21.2
235.14771	6.1
239.14334	19.3
245.15376	20.2
249.14655	7.5
261.14825	7.4
263.16290	34.9
275.16327	19.9
277.17953	6.2
281.18958	10.8
289.17953	10.2
294.77441	5.5
297.21902	9.5
301.21353	6.2
303.19669	12.9
315.19525	35.7
315.22900	6.6
317.21014	35.1
329.21051	6.7
331.22586	18.9
355.22696	7.2
369.24490	7.3
379.35550	6.0
403.29730	9.8
421.30914	20.5
439.32043	41.9
457.33121	74.0
517.27252	11.7
517.35358	60.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	4.6
53.03926	5.4
53.57335	3.6
55.05501	32.3
57.03404	4.6
57.07059	12.2
58.06584	3.3
58.26764	3.1
58.30020	3.3
64.28688	3.5
65.03918	6.6
65.34516	3.5
67.05490	53.7
69.03415	10.3
69.07059	43.0
71.04967	8.8
79.05477	35.5
79.93118	3.3
81.03407	6.1
81.06570	5.4
81.07044	100.0
83.08598	18.8
85.02875	10.3
85.06512	8.1
91.05470	44.0
92.05772	3.9
93.07030	64.3
95.04948	14.2
95.08591	75.9
97.06496	10.8
97.10155	10.6
98.23516	8.2
103.05437	5.2
105.03367	8.7
105.04464	3.5
105.07011	85.7
107.04945	8.6
107.08575	63.0
109.02795	3.6
109.06487	16.5
109.10142	52.1
111.08080	5.5
111.11653	4.6
115.05472	4.1
117.06961	18.0
119.04926	10.1
119.08566	41.5
121.06498	40.4
121.10123	40.7
123.08026	16.5
123.11688	74.6
125.05933	7.5
125.09624	10.6
127.03948	5.0
128.06166	8.0
129.06979	16.1
131.08568	29.8
133.06464	18.3
133.10094	31.0
135.08031	25.2
135.11679	14.4
137.05940	7.6
137.09604	7.0
137.13200	4.9
141.06932	5.9
141.12701	8.1
142.07722	7.0
143.08543	30.1
145.06422	14.1
145.10135	48.7
147.08046	21.4
147.11668	25.2
149.09613	12.5
149.13237	17.7
155.07071	4.3
155.08514	12.7
157.06541	4.4
157.10114	25.0
159.08063	20.5
159.11658	24.7
159.14674	3.7
161.09547	25.0
161.13239	6.9
163.14780	13.3
167.07137	3.6
167.08562	10.2
169.10101	14.9
171.08044	16.3
171.11676	19.5
172.08862	4.1
173.09601	51.5
173.13217	12.2
175.11139	31.4
175.14758	5.3
177.05569	6.3
177.12865	3.7
177.16312	18.5
179.08525	7.7
181.10155	8.4
182.10706	4.6
183.08012	4.6
183.11708	16.8
185.09595	16.0
185.13257	17.0
186.10201	4.0
187.11176	29.3
187.14818	7.6
189.12743	14.2
189.16295	4.2
193.10110	6.0
195.11691	14.9
197.09654	7.6
197.13211	14.6
199.11125	10.3
199.14825	10.6
201.12701	12.7
203.14412	4.0
206.10907	3.8
207.11748	5.0
207.79655	3.6
209.13229	10.5
211.11113	3.5
211.14764	10.1
213.12724	28.4
213.16228	3.7
215.14281	5.0
217.15762	5.3
219.11693	5.4
221.13193	13.1
223.11020	4.6
223.14633	5.3
225.16338	6.4
227.14270	30.9
227.17838	5.8
229.15907	4.8
231.13800	23.6
235.07481	4.1
239.14264	15.1
239.17966	4.0
241.15959	5.5
245.15291	26.7
249.14716	8.4
255.17450	6.4
257.15344	4.7
259.16931	6.3
261.14767	5.4
263.16205	30.5
265.19547	3.9
273.18280	6.2
275.16321	22.5
277.17926	12.0
281.19070	5.8
283.20352	4.5
289.17990	10.4
292.23312	8.6
299.20071	6.4
302.21933	10.9
303.19431	11.6
315.19482	24.0
315.22885	6.8
317.21088	37.8
329.21124	7.7
331.22540	19.6
341.19376	4.9
345.24258	4.2
365.24887	5.3
369.24008	4.4
383.25372	7.8
403.29889	11.9
421.30893	27.4
429.33707	5.3
439.31992	42.8
443.26028	10.1
457.33099	80.4
517.17511	8.7
517.28833	47.7
517.35217	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	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01648	0.7
53.03934	1.5
55.01864	1.6
55.05250	1.4
55.05505	20.8
57.03432	6.8
57.07067	2.7
63.17199	0.6
65.03939	1.7
67.05498	42.2
69.06699	1.4
69.07060	18.7
69.22180	2.9
71.04980	2.9
77.03942	1.9
79.05485	31.3
81.07049	49.2
83.04971	2.4
83.08614	9.8
85.06535	2.3
91.05472	27.0
93.06438	1.7
93.07035	38.6
95.04966	4.4
95.08597	39.1
97.06509	3.9
97.10150	4.0
98.22691	1.2
99.08076	2.0
103.05476	0.8
105.04526	1.9
105.07018	33.5
107.08585	26.0
109.06522	1.8
109.10142	16.6
111.08087	3.3
113.09656	0.8
115.05433	0.8
117.07016	10.5
119.08569	31.3
121.10132	19.8
122.06030	1.3
123.08093	2.4
123.11702	6.5
125.09622	2.1
128.06203	1.6
129.06944	5.7
130.07712	0.7
131.08554	21.0
133.10121	19.8
135.08044	1.6
135.11670	12.5
135.12619	0.8
137.09578	1.8
137.13263	1.2
139.11229	1.2
141.06970	1.2
143.08574	8.6
145.10110	22.4
145.11208	1.3
147.11665	17.0
149.09631	1.1
149.13254	8.0
151.11238	0.9
155.08525	2.5
157.10106	8.6
159.11674	15.8
161.09633	0.9
161.13248	8.2
163.11229	1.5
163.14745	3.4
169.10074	3.5
171.11673	8.8
173.13246	10.9
175.14796	5.2
177.16370	1.4
178.15904	2.1
183.11676	3.3
185.11696	1.1
185.13237	7.2
187.14804	6.0
189.12747	1.0
189.16414	2.5
191.14331	1.1
195.11615	0.9
197.13284	3.4
199.13290	0.9
199.14809	4.4
201.16455	2.4
205.16006	0.8
205.39471	0.8
211.14850	1.1
213.14696	1.2
213.16418	2.7
213.71098	0.8
215.17950	1.5
217.15956	1.1
219.17712	0.8
224.16437	1.1
225.16580	1.7
227.16269	1.0
229.19554	0.9
231.17316	0.8
235.17036	1.1
239.18285	1.2
241.17636	3.5
245.18948	1.8
247.16737	0.7
249.18492	0.8
257.19366	0.7
259.20566	3.7
261.22095	1.6
263.20126	0.9
271.20822	0.8
273.22208	1.2
275.19940	1.3
277.21603	1.2
281.21146	1.0
285.22165	1.5
287.23700	2.6
289.21796	1.3
295.22766	0.9
299.23645	2.3
301.25388	1.8
305.24783	0.8
313.25266	1.9
315.23297	1.4
317.24731	1.2
319.26498	1.5
325.25220	1.0
327.23233	1.0
327.26782	1.7
329.24710	1.5
333.24319	2.5
343.26407	1.3
389.26666	1.0
391.28613	1.5
405.30090	2.4
407.32971	5.1
419.31464	2.0
425.34097	15.7
426.34363	1.3
443.35260	8.7
447.31317	1.1
459.34293	0.8
461.36353	1.5
481.36774	2.1
499.37698	21.0
500.38287	1.8
517.38861	100.0
518.39105	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	517.3883
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03936	1.1
55.01869	1.2
55.05252	1.2
55.05505	20.6
57.03437	6.7
57.07058	2.6
59.45153	0.7
65.00344	0.6
65.03919	2.2
67.05495	38.0
69.03371	0.7
69.07059	17.8
71.04993	2.1
77.03899	1.0
79.05483	29.9
81.07047	44.4
83.04990	1.6
83.08606	9.4
85.06536	2.1
87.17296	0.8
91.05470	26.8
91.06045	1.4
93.07032	35.0
95.04951	4.8
95.08595	33.7
96.08949	0.9
97.06521	4.1
97.10146	4.9
99.08102	1.3
103.05444	0.9
105.04516	1.4
105.07017	27.7
107.08578	24.3
109.06516	2.4
109.10137	15.0
111.08038	2.0
111.11709	1.0
115.05399	0.8
117.06998	10.8
119.08563	30.7
121.06483	1.2
121.10129	20.0
123.08048	2.0
123.11662	4.2
125.09657	2.0
129.06995	5.1
131.07695	0.7
131.08545	20.8
133.10114	21.9
135.08069	0.9
135.11671	11.0
137.09618	0.8
137.13281	1.4
139.11192	1.2
141.06990	0.7
142.07797	0.9
143.08534	6.8
145.10109	21.5
147.11664	15.0
148.11989	0.8
149.09587	1.9
149.13226	7.3
151.11136	1.0
153.12633	1.0
155.08562	3.3
156.09309	1.0
157.10129	7.1
159.11665	13.9
161.13254	8.9
163.11166	2.3
163.14841	3.2
165.12698	1.3
169.10133	3.2
170.10887	0.9
171.11636	5.1
173.13243	10.8
175.14789	4.8
176.33986	0.8
177.16422	2.0
183.11655	3.8
185.13234	5.5
187.11182	0.9
187.14795	6.2
189.12790	1.1
189.16423	2.1
191.14299	1.2
195.11708	1.1
197.13295	2.6
199.13251	1.4
199.14868	4.3
201.16246	3.4
203.14285	0.9
203.17979	0.7
211.14810	1.8
213.14661	0.9
213.16417	2.7
215.18074	1.7
217.16029	1.0
219.17488	0.9
225.16444	1.3
227.18083	1.5
233.19034	1.3
241.17661	3.7
245.19002	1.3
259.20599	4.3
261.22125	1.6
264.92105	0.7
271.20663	1.0
273.22214	2.2
275.20065	1.2
277.21616	1.6
285.22162	1.1
287.20218	0.7
287.23737	2.6
289.21542	1.2
297.22256	0.9
299.23724	3.0
301.25217	1.2
311.80194	0.8
313.25165	2.7
315.23016	1.3
317.24594	1.5
327.26810	2.0
329.24802	0.8
333.24246	2.8
337.25061	0.9
343.26425	0.8
355.25961	0.8
361.27405	1.2
373.27203	0.9
405.29996	1.3
407.28189	1.5
407.33057	4.5
419.31668	1.3
425.34146	15.7
426.34485	1.0
443.35220	7.6
447.31192	1.0
459.35373	1.1
461.36380	2.4
481.36362	1.5
499.37872	19.9
500.38498	0.9
517.38861	100.0
518.39252	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	517.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01883	3.6
55.05506	22.0
56.05835	1.2
57.03432	8.1
57.07069	10.2
58.07402	1.4
59.34688	1.2
65.03938	2.9
67.05497	36.8
68.09892	1.4
68.55077	1.4
69.03431	4.0
69.07055	22.0
71.04980	3.5
71.43808	1.3
73.02892	2.6
79.05481	31.3
81.03395	1.9
81.07044	44.2
82.07393	1.4
83.04972	3.8
83.08611	9.2
85.02882	3.5
85.06520	11.0
91.05466	35.9
92.05821	3.3
93.07037	33.8
93.07593	2.8
95.04985	6.5
95.08593	32.3
96.08920	1.9
97.06535	4.7
97.10162	4.7
99.08086	2.2
105.07011	26.4
107.04978	1.7
107.08578	21.0
109.06528	4.6
109.10135	10.9
111.08074	8.4
114.87367	1.6
117.07016	8.8
117.59779	1.3
119.08572	25.7
121.10123	16.2
123.08089	3.2
123.11686	3.7
125.09621	2.6
127.07585	4.9
128.06241	2.0
128.07935	1.7
129.07025	4.5
131.08563	16.3
133.10110	74.3
134.10448	26.9
135.08073	2.0
135.11684	8.6
137.09607	2.4
137.13278	1.4
143.08574	5.4
145.10112	19.9
147.08025	2.5
147.11665	12.2
149.09575	19.0
149.13271	5.8
150.09933	7.2
153.09128	5.9
155.08553	2.3
157.10135	6.9
159.11662	13.4
161.13258	8.9
169.10181	2.8
171.10170	11.1
171.11731	6.1
172.10530	4.7
173.13226	9.1
175.14825	4.1
183.11708	1.6
185.13284	6.7
187.14777	6.2
189.11220	10.4
189.16364	1.9
190.11604	5.0
197.13541	2.0
199.14850	5.5
201.16466	3.4
211.14865	1.9
213.14706	1.9
213.16505	2.6
219.17424	1.9
227.18007	1.4
241.17836	2.2
247.20657	1.5
259.20526	4.1
259.72748	1.5
263.20233	1.7
273.22476	1.5
285.22064	2.2
287.23672	1.8
299.23758	2.7
301.25305	1.5
313.25177	1.5
313.32904	1.5
315.23312	1.4
329.24988	1.5
333.24133	3.1
338.20538	1.7
391.28879	1.7
405.29935	2.5
407.33066	3.3
425.34122	14.3
443.35309	6.6
486.29022	1.6
499.37891	19.8
517.38916	100.0
518.39252	4.0
538.29871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75270	1.4
53.03941	3.9
55.01865	3.5
55.05502	22.6
57.03429	7.3
57.07058	5.0
61.49913	1.4
65.03934	2.5
67.05492	51.7
68.05807	1.6
69.07064	24.4
71.04970	3.4
79.05029	3.2
79.05481	44.8
80.05826	1.6
81.03404	8.8
81.07043	56.5
83.04969	2.2
83.08626	11.8
85.06509	4.7
91.05465	37.4
93.07030	46.7
94.07355	1.5
95.04955	7.1
95.08592	46.3
97.06523	5.9
97.10157	6.2
99.08080	2.8
99.29806	1.3
103.41952	1.5
105.07009	40.6
107.04959	3.4
107.08574	28.2
109.06535	3.2
109.10146	19.8
111.08095	4.0
113.13937	1.7
115.05412	2.3
117.07009	14.7
119.08562	37.2
121.06482	3.3
121.10119	22.9
122.10421	1.9
123.08057	3.3
123.11705	7.0
125.09639	2.0
128.06233	2.0
129.06990	6.5
131.08563	25.5
133.06490	2.1
133.10112	29.0
135.08020	3.2
135.11685	16.1
137.09593	3.6
137.13185	2.1
141.07065	1.7
143.06952	1.9
143.08559	10.4
145.10088	23.6
147.08044	2.6
147.11665	19.0
149.09579	2.8
149.13228	10.0
155.08528	3.7
157.10068	7.9
159.11670	18.7
161.13269	10.6
163.11136	2.3
163.14729	2.3
165.09218	1.8
169.10127	3.8
171.11656	10.0
173.13226	12.1
175.14799	6.6
177.12737	2.7
181.10083	1.8
183.11726	5.6
185.13229	7.7
187.14813	6.6
189.16376	3.4
197.13190	2.2
199.09541	2.4
199.14815	6.0
201.16374	3.0
211.14893	2.0
213.14691	2.0
213.16432	3.0
215.17813	2.7
217.15871	1.7
221.15355	2.3
225.16399	2.6
231.17358	2.1
237.16449	1.9
239.12807	2.1
241.17905	4.7
245.19060	2.5
259.20459	4.0
261.22113	3.4
273.22083	3.4
285.21915	2.3
289.21408	2.5
299.23492	3.7
301.25058	3.3
304.29214	1.8
313.25345	1.8
315.23257	1.8
333.24457	2.2
335.25830	4.4
405.29990	3.6
407.28439	2.7
407.33276	2.5
425.34595	13.6
443.35071	5.5
481.37497	2.0
499.38458	21.2
517.39288	100.0
518.39069	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	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.7
55.05508	23.8
57.03431	8.2
57.07058	3.3
61.32731	1.5
65.03947	3.3
67.05502	48.4
69.07063	22.2
71.04993	2.3
71.44854	1.7
77.03918	1.8
77.13427	1.4
78.96920	1.4
79.05482	35.3
79.05943	2.1
81.03432	3.2
81.07045	56.1
83.04985	4.1
83.08602	12.8
85.06564	4.6
91.05469	35.9
93.07033	46.4
93.07578	2.9
95.04961	8.6
95.08592	42.2
95.09196	2.1
97.06551	5.9
97.10188	5.5
105.04571	1.8
105.07017	40.8
107.08585	27.0
109.06537	3.7
109.10144	19.0
117.07002	14.6
119.08574	35.7
121.10130	22.8
123.08095	4.2
123.11714	7.0
125.09676	2.6
129.07002	7.0
131.08543	24.8
133.10107	24.1
133.10999	1.8
135.11687	15.0
137.09554	1.7
141.06952	1.6
141.37865	1.4
143.08517	8.6
145.10097	22.3
147.11668	16.4
149.13307	8.1
155.08621	4.7
157.10056	8.8
159.11682	19.1
161.13191	10.5
163.11159	2.3
163.14885	4.0
169.10123	4.7
171.11754	7.6
173.13231	13.8
175.14862	4.5
177.16463	2.8
183.11743	4.6
185.13254	7.4
187.14879	6.3
189.16420	2.9
193.71925	1.4
197.13264	4.0
199.14955	4.7
201.16441	2.7
209.15280	1.7
211.14827	2.4
213.16481	2.7
225.16579	2.1
233.19009	1.9
239.18013	2.0
241.17903	2.0
253.79376	1.6
259.20679	5.1
261.22327	2.1
271.20560	1.7
273.22006	1.8
285.22253	2.3
287.23749	3.6
299.23810	2.9
301.25244	1.7
303.23389	1.8
313.25214	2.0
315.23471	2.1
317.24841	1.9
331.26288	1.7
333.24237	2.5
377.26797	2.1
405.30457	3.3
407.33316	5.7
425.34427	14.5
443.35507	5.0
499.38379	19.7
500.38654	3.2
517.39105	100.0
518.39227	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	518.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
55.05502	1.1
57.03422	1.0
61.02905	1.2
65.03924	1.5
65.50661	1.0
67.05490	7.7
69.03421	5.8
69.76830	2.0
69.77193	2.2
73.02924	0.9
77.64896	0.9
81.03412	3.3
83.61052	0.9
85.02888	18.6
85.06526	1.9
85.67982	1.0
95.04953	6.8
97.02864	4.8
99.04420	1.3
105.03375	2.4
109.02852	1.4
111.04411	1.6
113.05995	1.8
123.04442	2.2
123.17467	0.9
127.03891	3.2
129.99306	1.0
131.61012	0.9
134.02370	4.1
136.03940	1.9
138.05472	10.5
145.04926	2.3
147.04399	4.4
150.05452	1.3
151.02592	1.4
156.33208	1.1
163.03940	2.0
164.03433	2.0
166.04973	100.0
167.05269	1.7
169.03676	1.7
176.03409	2.8
178.04938	3.3
179.02116	1.7
184.06084	1.9
185.36247	0.9
186.05418	1.1
192.02890	17.9
192.06593	1.8
194.02695	1.5
194.04448	24.2
194.06163	1.5
198.07579	34.0
199.06250	1.7
199.07970	1.8
200.06973	2.1
203.03351	14.9
205.03676	2.0
206.04507	1.9
208.06001	5.5
214.08662	1.4
217.07338	2.5
218.08159	3.3
219.05270	1.9
220.06030	13.7
227.05757	5.0
228.06462	1.6
229.07304	1.8
230.04393	1.4
231.03035	2.2
231.05235	5.7
232.09619	1.8
233.04440	1.3
234.07593	12.3
242.08069	7.3
244.06065	5.4
244.09662	2.3
245.06717	5.5
246.07556	17.3
249.70441	1.1
255.05238	1.9
259.08463	2.7
260.05551	2.6
260.09146	9.7
261.03876	2.0
270.07587	8.8
273.06445	1.2
279.04968	2.3
288.08618	80.9
289.08899	2.6
291.05038	3.4
304.40463	1.1
306.09665	35.0
307.09818	1.7
324.10718	46.5
338.12201	4.6
339.06982	5.1
356.13516	8.2
450.13824	3.0
468.15100	6.8
486.15991	37.5
487.16040	1.5
500.17441	2.5
517.28210	1.8
518.28247	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	518.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24936	1.1
55.01877	1.3
62.66707	1.0
65.03936	1.5
67.05507	11.3
69.03416	2.6
69.92451	3.4
76.87165	1.1
81.03406	3.8
84.08173	1.6
85.02888	7.6
85.06517	1.8
95.04954	9.2
97.02888	3.1
97.51168	0.9
105.03383	3.8
110.06055	1.2
111.04391	1.1
113.05978	1.8
119.04938	2.9
123.04353	1.3
127.03916	2.0
129.10190	1.2
135.04446	1.3
140.08176	1.1
141.05449	3.2
145.02867	1.8
145.04970	1.9
147.04395	13.7
148.03896	1.3
151.02655	3.1
158.57341	1.1
163.03885	17.8
163.79936	1.2
164.04384	10.5
164.82274	1.1
166.04987	23.6
169.03693	3.5
176.03429	6.6
177.00517	1.7
177.07808	1.3
178.05017	2.5
179.02107	8.9
186.05458	1.7
192.02922	14.8
192.74968	1.3
194.04468	41.4
195.01746	2.0
196.07570	1.3
198.07594	5.2
199.06204	2.1
200.07080	1.6
202.04936	1.2
205.03709	3.3
206.04681	1.6
214.08551	1.5
217.03900	1.3
217.07423	1.5
218.08098	1.6
219.05215	6.9
220.06012	11.8
227.05788	7.9
228.06558	1.7
230.04567	4.3
231.05241	9.3
232.09679	1.4
234.07594	11.8
242.08006	6.7
244.06134	3.7
244.09776	2.0
245.06801	9.2
246.07600	19.2
251.72542	1.1
255.05185	1.6
256.09604	1.4
259.08389	3.0
260.05518	3.2
260.09134	7.3
270.07632	6.9
273.06265	5.7
284.09134	1.7
288.08640	100.0
289.08963	1.9
306.06085	2.2
306.09671	40.5
324.10742	75.8
356.13638	2.7
450.13541	1.4
468.14981	6.6
486.16028	63.1
518.16833	3.4
518.25574	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	518.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
57.03418	1.5
61.02890	1.7
68.55594	0.6
69.03419	5.2
69.80423	1.0
69.80808	1.3
71.04963	0.7
72.04538	0.7
85.02403	0.7
85.02895	11.5
95.08509	0.6
97.02886	4.0
99.04413	0.9
109.02862	1.2
127.03883	1.4
145.04926	0.6
179.08507	0.6
189.06978	0.7
193.06432	0.8
195.08078	0.6
205.06491	2.1
207.07985	2.9
208.08887	1.3
210.09169	0.9
219.08066	2.1
220.08945	3.7
221.06044	1.4
222.09116	5.5
223.07487	0.8
224.08336	1.2
232.07474	0.9
233.06041	1.1
233.08237	0.8
234.09103	1.4
235.07498	1.4
235.09793	0.6
236.08339	3.1
236.10690	2.7
238.08568	6.4
239.10626	2.4
240.10129	0.7
247.07562	1.0
247.09853	3.8
248.08224	3.4
248.10698	1.7
249.05521	0.9
249.07849	1.4
250.08571	9.1
251.10655	15.0
251.13084	1.0
252.10335	0.7
263.09341	3.0
264.07703	2.2
264.10187	13.2
265.10947	100.0
266.08115	2.9
266.11255	2.0
267.10226	3.5
268.09827	0.7
278.11743	5.9
279.10092	11.7
279.12613	5.0
280.09735	1.8
281.07938	0.7
281.10428	15.7
282.10852	0.7
293.10382	0.8
294.11258	0.8
295.12149	0.8
296.12784	53.6
297.13077	1.9
306.11267	1.6
311.12866	0.6
312.53400	0.5
324.12256	92.0
325.12561	3.2
356.14966	1.9
454.19669	0.6
518.28162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62411	0.1
52.36236	0.1
55.05490	0.1
56.05022	0.7
58.06618	0.4
59.07378	0.2
60.08155	7.0
67.05499	0.6
69.07055	0.1
69.99309	0.3
70.06559	0.1
71.07362	3.7
79.05480	0.4
81.07041	0.6
86.09692	33.8
87.10008	0.3
91.05455	0.2
93.07033	0.3
95.08588	0.4
98.98452	3.6
104.10725	2.9
105.06999	0.1
107.08588	0.2
121.10120	0.1
124.99983	24.9
125.22431	0.1
128.60701	0.1
143.01054	0.2
184.07310	100.0
185.07654	0.8
258.10986	0.2
335.25546	0.1
433.14731	0.1
500.31201	0.9
518.32288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00134	0.3
55.05493	0.6
56.05027	1.0
57.03422	0.5
58.06564	1.4
59.07349	0.3
60.08152	18.4
67.05489	3.1
69.07048	0.8
70.71331	0.6
71.07362	7.5
78.85258	0.2
79.05477	1.9
81.07037	2.1
86.09688	53.8
87.10006	0.3
90.54642	0.3
91.05445	0.7
93.07014	2.1
95.04959	0.4
95.08596	1.2
98.98450	5.3
104.10722	99.3
105.06992	0.8
105.11081	0.7
107.08598	0.8
109.10132	0.5
109.96449	0.3
115.21132	0.3
117.07003	0.3
119.08595	0.5
121.10127	0.5
124.99977	31.4
143.01062	0.4
163.01558	0.7
184.07301	100.0
185.07602	0.8
235.42793	0.3
258.10995	0.9
335.25623	0.8
352.51465	0.3
441.23767	0.4
500.31256	7.5
500.38229	0.5
518.32300	23.1
519.32397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	12.2
58.06594	8.9
67.05494	50.8
69.07043	10.1
69.13315	10.4
69.13721	29.9
79.05470	35.0
80.68404	6.2
81.07050	53.1
83.08592	5.8
85.02881	9.7
91.05470	23.0
93.07039	42.4
95.04974	8.1
95.08602	39.5
105.06999	17.4
107.08587	36.4
109.06462	6.6
109.10141	29.9
117.09872	5.9
119.08562	24.1
121.10130	51.6
123.11673	16.0
131.08531	23.5
133.10129	19.7
135.11717	61.1
137.09602	7.8
145.10086	23.8
147.11674	18.5
149.13228	24.8
159.11713	17.5
160.82037	7.5
163.11128	7.7
173.13181	18.5
187.14821	9.5
205.19482	15.5
215.17917	100.0
229.14430	8.2
233.18944	86.2
251.20128	13.2
265.84689	6.8
302.03174	8.3
307.22604	24.2
325.23831	12.7
515.72437	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	518.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.2
55.38911	3.3
57.03429	6.5
59.04980	3.6
67.05489	7.4
69.03423	10.8
70.51531	7.2
71.05007	4.5
79.05489	8.8
81.07046	13.8
85.02892	58.5
89.80274	3.6
91.05445	6.6
93.07037	11.0
95.08596	21.1
97.02897	10.4
103.03931	4.8
105.07010	12.2
107.08590	9.3
109.02889	4.9
109.10138	18.8
111.08062	36.3
115.03922	3.7
117.06987	8.3
119.08542	9.6
121.10155	10.7
121.50407	3.1
123.08050	4.3
123.11647	5.9
127.03902	12.0
129.06975	4.5
131.08542	12.4
133.10127	11.3
135.11673	5.9
143.08467	5.7
145.04897	17.0
145.10118	12.2
147.11664	5.5
148.23357	3.2
149.13249	3.7
155.08675	3.8
157.10153	5.8
161.13252	4.6
163.06018	9.6
163.11180	5.3
167.07068	4.7
171.11671	15.1
173.13278	6.3
183.11707	6.9
185.13217	4.8
189.12659	8.6
199.14697	5.4
207.13783	4.2
211.14688	5.1
213.16382	4.1
227.17908	46.8
239.17975	3.7
245.19000	25.9
255.21088	13.0
257.22684	7.5
267.21057	32.2
273.21982	6.7
285.22086	100.0
294.03214	3.5
303.23111	24.3
371.17215	3.5
518.26520	15.6
542.00702	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
57.03425	0.5
65.03927	0.5
69.03398	1.2
71.45695	0.4
81.03401	1.0
81.07045	0.7
81.83904	0.4
85.02876	2.5
89.03894	1.7
91.05465	1.0
93.07017	1.0
94.06536	1.1
95.07338	1.0
96.08112	2.2
97.02860	0.9
105.07028	0.5
108.08094	2.2
109.02797	0.6
110.09669	3.6
115.03913	0.4
116.04947	4.8
119.08530	0.5
120.08086	3.5
122.06020	2.6
123.08009	0.4
134.06029	0.4
136.07550	4.4
137.05949	1.0
138.05438	0.4
138.09087	4.4
144.04420	11.1
145.02753	0.5
145.05067	0.4
146.05959	2.2
148.03902	0.8
148.07529	1.7
162.05490	4.0
166.08598	10.5
172.03900	49.3
172.11961	0.4
173.04225	1.4
174.05550	0.8
177.05460	1.6
189.12672	0.5
190.04955	9.1
204.06523	100.0
205.06920	2.7
205.08655	0.5
207.13800	0.7
209.08005	0.7
222.07468	0.7
251.11739	0.4
279.11227	0.6
325.11710	1.7
326.06512	0.9
329.14880	1.7
334.09366	2.4
339.13336	2.1
343.12918	0.7
357.10242	0.8
357.14398	8.7
366.11606	0.5
459.18359	0.4
487.16843	1.1
501.18488	1.1
519.18701	0.4
519.24768	0.6
520.29083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.5
65.03971	2.0
65.21974	1.5
67.05476	2.8
69.03423	5.2
69.17227	5.2
69.17638	4.5
70.17353	1.7
71.04984	3.2
73.02902	3.6
79.05481	4.1
81.07068	3.4
85.02895	7.1
91.05479	6.1
93.07035	4.6
95.04979	2.7
95.08595	5.9
97.02851	2.7
99.04453	4.6
105.07008	13.4
107.08582	18.7
109.06506	3.5
109.10149	9.6
109.92188	2.0
119.08562	29.9
121.06496	4.4
121.10135	4.0
123.08048	44.2
131.08597	3.9
133.10124	7.6
135.08067	5.9
135.11690	3.0
137.09590	14.3
143.08603	3.0
144.09354	2.6
145.05023	2.9
147.04390	1.8
147.08054	4.8
147.11681	27.1
149.09680	2.8
156.09340	4.5
159.11670	16.8
161.09598	2.3
161.13231	21.8
171.11630	5.3
177.12776	10.4
189.12761	12.8
207.13788	100.0
207.15565	4.0
208.14175	2.3
208.16298	2.3
212.16454	2.0
225.14842	30.9
241.27209	1.9
271.42026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.0
58.06583	10.1
59.04971	3.5
60.77866	3.4
67.05505	20.5
69.03432	4.8
69.55264	13.7
73.02900	6.1
74.64417	3.5
77.90369	2.9
80.99971	2.9
81.07079	5.1
85.02912	10.2
85.06522	10.7
91.05492	3.1
93.07053	8.9
95.08595	75.8
97.02885	4.2
105.07019	6.9
107.08582	8.9
109.10162	4.5
113.06001	9.8
119.08567	13.2
121.10103	8.6
123.08050	30.9
123.11686	4.4
130.02289	3.3
132.23227	3.0
133.10161	4.5
135.11688	11.1
137.09669	5.3
140.31924	3.4
145.02957	4.6
147.11757	3.4
149.09604	42.7
151.07600	4.0
152.07129	3.8
161.13268	11.0
163.11192	5.2
165.12746	5.9
171.11731	3.8
189.12714	24.1
194.01321	3.6
207.13768	100.0
207.15558	6.0
214.65694	3.5
225.14886	6.0
280.10797	5.1
281.11304	7.8
297.10754	5.6
311.12778	4.3
312.12845	6.3
357.14813	3.5
519.24567	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	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.8
57.03435	1.4
58.06591	3.1
58.36182	1.3
59.67868	1.2
67.05489	2.4
69.03410	4.6
69.07063	1.5
70.06594	1.4
73.02905	6.6
77.18571	1.4
79.05460	2.7
81.03393	2.3
81.07037	5.1
85.02888	6.3
91.05466	5.4
93.07022	3.4
95.04972	2.4
96.08088	2.0
97.02885	2.6
97.06517	3.1
105.03365	1.3
105.07007	6.2
107.04955	1.6
107.08557	3.4
108.08081	2.1
109.06496	1.5
110.09666	4.1
116.04964	5.5
119.08567	3.1
120.08112	2.5
121.10102	1.6
122.06011	1.7
123.07986	2.7
125.05981	9.5
127.03925	1.5
129.07005	2.4
131.08540	9.8
133.04874	1.6
133.10106	2.0
135.08035	5.6
135.88046	1.2
136.07587	4.8
137.05978	6.4
137.09578	1.4
138.09125	4.8
143.08536	5.0
144.04437	9.5
144.41321	1.5
145.10095	4.8
146.05992	2.4
147.11653	1.6
148.07549	1.8
153.09105	6.4
158.10898	4.5
159.11758	1.9
160.12054	1.4
161.06030	1.4
162.05482	5.4
165.12729	4.8
166.08659	11.2
171.11670	3.2
172.03917	50.4
172.12015	1.9
173.13251	13.9
177.05418	4.2
179.14388	2.2
187.07402	1.8
189.12677	1.6
190.04959	9.7
191.14287	7.1
204.06526	100.0
205.06908	1.4
207.13789	10.6
225.14699	3.0
244.86655	1.4
280.10431	2.2
311.04425	1.4
325.11691	2.3
326.06604	2.2
329.14886	2.3
330.13168	2.1
334.08929	2.5
339.13220	2.5
340.11823	1.9
341.14056	1.7
343.12402	1.5
357.14386	9.6
358.12802	2.0
397.84003	1.6
487.17587	1.8
519.24078	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	519.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.8
57.03435	1.4
58.06591	3.1
58.36182	1.3
59.67868	1.2
67.05489	2.4
69.03410	4.6
69.07063	1.5
70.06594	1.4
73.02905	6.6
77.18571	1.4
79.05460	2.7
81.03393	2.3
81.07037	5.1
85.02888	6.3
91.05466	5.4
93.07022	3.4
95.04972	2.4
96.08088	2.0
97.02885	2.6
97.06517	3.1
105.03365	1.3
105.07007	6.2
107.04955	1.6
107.08557	3.4
108.08081	2.1
109.06496	1.5
110.09666	4.1
116.04964	5.5
119.08567	3.1
120.08112	2.5
121.10102	1.6
122.06011	1.7
123.07986	2.7
125.05981	9.5
127.03925	1.5
129.07005	2.4
131.08540	9.8
133.04874	1.6
133.10106	2.0
135.08035	5.6
135.88046	1.2
136.07587	4.8
137.05978	6.4
137.09578	1.4
138.09125	4.8
143.08536	5.0
144.04437	9.5
144.41321	1.5
145.10095	4.8
146.05992	2.4
147.11653	1.6
148.07549	1.8
153.09105	6.4
158.10898	4.5
159.11758	1.9
160.12054	1.4
161.06030	1.4
162.05482	5.4
165.12729	4.8
166.08659	11.2
171.11670	3.2
172.03917	50.4
172.12015	1.9
173.13251	13.9
177.05418	4.2
179.14388	2.2
187.07402	1.8
189.12677	1.6
190.04959	9.7
191.14287	7.1
204.06526	100.0
205.06908	1.4
207.13789	10.6
225.14699	3.0
244.86655	1.4
280.10431	2.2
311.04425	1.4
325.11691	2.3
326.06604	2.2
329.14886	2.3
330.13168	2.1
334.08929	2.5
339.13220	2.5
340.11823	1.9
341.14056	1.7
343.12402	1.5
357.14386	9.6
358.12802	2.0
397.84003	1.6
487.17587	1.8
519.24078	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	519.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78964	6.2
55.05503	44.3
56.83296	4.9
57.03427	9.8
57.07068	27.7
67.05499	76.3
69.07059	70.9
70.60378	6.0
71.08623	13.9
71.29959	5.4
79.05480	37.1
81.07042	67.9
83.08607	46.0
87.50553	5.4
91.05467	17.4
92.87033	5.4
93.07051	44.6
95.04954	7.2
95.08588	64.4
97.06535	13.3
97.10153	32.9
98.38030	5.0
107.08588	24.9
109.10149	38.2
111.08086	12.5
111.11720	9.0
117.06992	9.7
119.08579	8.5
121.10102	53.0
123.11703	13.7
125.09586	7.1
125.13325	5.8
133.10103	8.7
134.08833	5.6
135.11678	38.0
149.13226	23.9
157.10196	8.2
163.14861	13.1
165.16368	6.8
201.31522	6.8
247.24164	54.4
265.25223	100.0
283.26276	10.3
291.19455	6.7
299.06036	7.3
339.28922	92.0
340.28989	6.4
427.55084	7.0
519.33136	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	520.181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20198	0.6
52.12263	0.7
53.03933	2.2
55.01861	1.2
57.03423	2.4
58.06326	1.1
58.06593	12.4
61.02911	2.3
64.04318	0.6
65.51793	0.6
68.59696	0.6
69.03421	16.9
70.06564	0.7
71.04974	0.9
71.51644	0.6
73.02900	3.0
79.05471	2.1
79.13832	0.6
81.03403	13.4
85.02894	16.7
87.00806	1.8
87.04454	0.9
91.05460	4.1
93.07018	1.3
95.04942	2.6
95.86681	0.8
97.02876	9.8
99.04450	4.4
103.03923	2.6
103.05449	1.2
105.07034	2.9
107.04939	100.0
107.08566	0.9
108.05264	1.6
109.02866	12.9
109.53706	0.7
112.45766	0.6
115.05441	7.5
117.07023	1.9
119.04910	1.9
121.06472	3.2
123.04417	12.8
127.03902	11.9
129.10193	1.0
131.04887	1.7
133.06461	2.6
136.07635	0.9
137.05968	1.5
143.04893	13.2
145.04851	1.2
145.06468	10.0
147.04356	1.9
149.05984	3.2
155.06056	1.0
159.02835	1.0
161.05949	26.6
163.03915	0.7
164.07040	8.2
175.03862	0.9
179.08548	1.2
183.08017	1.0
183.24214	0.7
187.05986	7.6
191.08533	1.4
194.07246	1.1
205.06789	0.9
207.06468	1.8
207.08157	1.2
209.09599	3.9
209.15305	1.1
221.05981	1.4
227.07019	0.8
234.06726	0.7
235.07489	2.0
235.88075	0.7
237.09070	5.8
238.06218	3.2
239.06888	1.2
240.07866	1.3
251.07042	1.3
253.08562	3.8
255.10121	30.2
256.10461	1.0
266.05743	1.3
267.09860	0.8
272.12769	56.8
273.13013	1.1
281.08072	13.2
295.09515	3.4
298.08322	5.8
313.10565	2.8
338.13205	0.7
340.22693	1.8
342.24237	16.3
358.16434	2.5
358.23804	1.7
359.16943	0.8
434.18408	4.0
434.99203	0.6
475.15726	2.1
476.19092	34.1
477.19421	1.8
519.28467	0.9
520.18286	44.8
520.28949	34.3
521.19061	1.0
521.28796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.7
57.03416	3.9
57.07066	7.0
58.06584	3.4
59.04979	1.6
61.02912	3.5
67.05472	1.8
69.03417	100.0
69.07034	1.5
70.00877	3.3
70.03786	1.2
72.08139	1.6
77.03936	1.2
79.05473	2.3
81.03416	3.1
81.07042	4.2
84.08113	2.2
85.02892	11.5
87.04459	6.7
91.05438	2.7
93.07034	2.5
95.04965	5.4
95.08592	1.6
97.02880	14.4
97.06511	1.4
98.09654	1.5
105.03378	76.7
105.04487	2.4
105.06990	2.6
107.08563	2.6
109.02847	15.7
115.03885	7.8
115.61414	1.1
117.06960	1.0
117.66907	1.0
119.08552	1.5
121.10094	2.2
123.04412	3.2
123.08063	2.1
123.11657	3.8
127.03907	13.8
131.08586	2.0
133.04938	6.1
133.10147	2.7
143.08566	1.5
145.02821	1.4
145.04924	2.7
149.09593	7.6
150.07545	3.8
153.05406	6.5
169.10101	1.4
173.13188	2.8
174.49126	1.1
177.05411	2.1
181.10103	1.2
191.07001	21.4
191.14282	12.6
195.06474	8.9
209.08078	4.1
213.07535	4.9
231.08595	94.0
232.08923	1.6
267.08746	1.3
304.20572	1.5
322.21561	2.8
334.07135	1.1
340.22659	3.3
353.12262	4.7
373.17883	2.8
424.28796	1.6
442.29337	1.6
484.30362	1.8
502.31564	40.4
503.31943	1.9
520.32983	60.6
521.33350	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.9
57.47541	0.9
59.04974	1.0
62.21233	0.7
69.03413	23.6
69.03794	1.2
73.02883	1.0
77.03912	1.7
79.05483	3.0
85.02890	13.2
87.04457	11.9
95.04961	4.7
97.02869	14.0
98.23561	1.3
98.34697	0.8
99.04451	0.9
105.03372	100.0
106.03721	0.9
109.02847	1.0
112.09457	0.8
115.03906	16.4
123.04407	22.8
127.03860	2.2
133.04939	17.3
145.04892	2.1
150.07584	3.6
191.06982	24.1
209.08034	31.0
210.08443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.9
57.47541	0.9
59.04974	1.0
62.21233	0.7
69.03413	23.6
69.03794	1.2
73.02883	1.0
77.03912	1.7
79.05483	3.0
85.02890	13.2
87.04457	11.9
95.04961	4.7
97.02869	14.0
98.23561	1.3
98.34697	0.8
99.04451	0.9
105.03372	100.0
106.03721	0.9
109.02847	1.0
112.09457	0.8
115.03906	16.4
123.04407	22.8
127.03860	2.2
133.04939	17.3
145.04892	2.1
150.07584	3.6
191.06982	24.1
209.08034	31.0
210.08443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2173
Annotation	O-Methylisoalangiside
Peak:m/z	Relative Intensity
53.03936	0.7
54.57134	0.6
55.01863	1.1
57.03416	0.7
58.06594	40.0
60.59406	0.5
61.02939	0.7
65.90971	0.5
69.03422	3.8
70.59086	0.5
70.76591	1.0
72.08145	0.9
81.03385	0.7
85.02892	6.9
87.04430	0.9
97.02882	1.6
105.57376	0.6
127.03896	0.9
132.76561	0.6
152.06238	0.5
165.07001	1.0
177.06969	0.7
179.08580	2.4
182.07335	0.7
183.08058	2.1
193.06529	1.4
194.07225	0.6
195.08020	0.8
197.06067	0.8
197.09712	1.1
207.08063	5.2
209.09668	0.7
210.06744	1.4
211.07530	2.3
221.05968	4.8
222.06656	2.2
223.07527	2.4
224.08237	1.3
225.09036	3.0
234.06682	0.6
235.07498	7.1
237.05504	1.3
237.09093	5.3
238.06204	12.8
239.07021	5.9
241.04961	0.6
249.05423	5.7
251.06955	4.2
252.07820	3.7
253.08577	15.5
255.06534	1.2
262.06284	0.7
263.07028	4.3
265.04947	0.8
265.08575	1.4
266.05652	5.3
267.06558	1.4
267.10193	1.0
269.07977	0.8
279.06403	3.6
280.07361	1.5
281.08044	54.8
282.08630	2.2
283.05994	4.3
295.09616	14.8
296.06827	1.4
296.10165	0.8
297.07623	1.5
298.08307	30.5
299.08649	0.9
311.09134	2.3
312.09924	1.2
313.10675	14.6
322.08392	0.7
323.09137	0.9
336.10065	0.9
340.09573	2.3
340.22711	1.6
358.16522	1.9
475.15909	10.9
477.17514	0.9
520.21722	100.0
521.21967	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	520.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
57.03434	5.1
58.06595	4.7
59.04987	1.9
65.13242	1.6
67.05502	1.7
69.03417	27.6
73.02902	11.3
79.05489	5.3
81.07056	5.3
85.02893	11.4
87.04465	3.4
91.05462	18.0
93.07025	4.9
95.04948	3.0
95.08605	5.3
97.02886	11.8
98.23625	3.5
99.04457	7.0
105.03371	23.8
105.07012	23.2
107.08572	9.5
109.02866	4.6
109.06505	4.1
109.10173	2.8
115.03908	4.2
117.07005	5.7
119.08572	24.4
121.06512	2.2
121.10140	4.9
125.09692	1.8
127.03931	6.3
127.85683	1.6
129.07004	4.6
131.08556	32.7
131.09464	3.1
133.04938	5.0
133.10123	12.5
135.08029	38.8
135.11658	2.5
137.05972	2.0
141.07001	1.9
143.08554	16.7
144.09340	3.7
145.04959	6.0
145.10092	16.1
147.11714	4.0
149.13232	2.5
150.07709	2.2
156.09328	4.8
158.10895	17.2
159.11627	2.2
161.13272	4.9
163.14816	2.7
169.10115	2.0
171.11665	12.7
173.13243	100.0
174.13658	2.6
175.14879	5.0
179.61752	1.6
191.06973	7.7
191.14285	17.7
209.15341	9.2
215.14272	2.3
217.29282	2.0
231.08589	11.4
262.70639	1.7
305.17508	12.3
420.46436	2.0
450.65427	1.9
473.88110	2.1
520.28967	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	520.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.3
57.03434	5.1
58.06595	4.7
59.04987	1.9
65.13242	1.6
67.05502	1.7
69.03417	27.6
73.02902	11.3
79.05489	5.3
81.07056	5.3
85.02893	11.4
87.04465	3.4
91.05462	18.0
93.07025	4.9
95.04948	3.0
95.08605	5.3
97.02886	11.8
98.23625	3.5
99.04457	7.0
105.03371	23.8
105.07012	23.2
107.08572	9.5
109.02866	4.6
109.06505	4.1
109.10173	2.8
115.03908	4.2
117.07005	5.7
119.08572	24.4
121.06512	2.2
121.10140	4.9
125.09692	1.8
127.03931	6.3
127.85683	1.6
129.07004	4.6
131.08556	32.7
131.09464	3.1
133.04938	5.0
133.10123	12.5
135.08029	38.8
135.11658	2.5
137.05972	2.0
141.07001	1.9
143.08554	16.7
144.09340	3.7
145.04959	6.0
145.10092	16.1
147.11714	4.0
149.13232	2.5
150.07709	2.2
156.09328	4.8
158.10895	17.2
159.11627	2.2
161.13272	4.9
163.14816	2.7
169.10115	2.0
171.11665	12.7
173.13243	100.0
174.13658	2.6
175.14879	5.0
179.61752	1.6
191.06973	7.7
191.14285	17.7
209.15341	9.2
215.14272	2.3
217.29282	2.0
231.08589	11.4
262.70639	1.7
305.17508	12.3
420.46436	2.0
450.65427	1.9
473.88110	2.1
520.28967	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	520.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.03427	0.6
57.07062	0.5
57.54810	0.4
58.06581	0.7
59.30739	0.4
59.73376	0.4
61.02903	1.1
65.03907	0.5
67.05491	1.9
69.03419	2.7
69.07055	1.4
69.76664	1.0
69.76996	0.6
69.90454	0.4
70.06549	0.4
73.02547	0.4
73.02914	6.8
74.01565	0.4
74.41456	0.4
77.01202	0.5
79.05476	3.9
81.07042	2.2
83.04967	0.5
83.08581	0.8
85.02898	3.6
91.05467	9.3
93.07030	3.7
95.04945	1.1
95.08591	1.6
97.02894	2.3
103.05457	0.7
105.07021	11.8
107.08578	9.7
109.02860	0.6
109.06502	0.7
109.10137	0.8
115.03902	1.3
115.05416	1.2
116.06226	1.4
117.06989	4.4
119.08570	12.1
121.06467	0.5
121.10132	9.9
123.08071	1.2
125.09630	0.5
127.03875	1.3
128.06218	0.7
129.06995	4.7
130.07794	1.0
131.08554	16.9
132.09270	0.5
133.04936	1.0
133.10123	4.1
135.08037	3.4
135.11670	0.7
137.05942	0.5
137.09563	0.5
142.61581	0.4
143.08553	8.8
144.09308	2.8
145.04910	1.0
145.10109	12.0
145.11212	0.9
147.11661	5.7
149.09602	1.4
149.13228	6.2
150.07611	0.6
156.09428	0.5
158.10896	11.4
163.14847	0.5
171.11566	0.5
173.13245	22.7
174.13544	0.7
175.14772	4.6
191.14285	100.0
192.14711	2.6
204.06604	0.8
205.06793	1.0
205.37730	0.5
207.06514	0.8
209.15314	1.9
223.07625	0.6
227.16444	0.8
244.15393	0.6
277.08649	0.5
281.07956	1.0
295.09918	0.5
296.10443	1.4
305.17352	0.8
312.09894	0.7
323.18591	0.5
327.12305	2.3
358.16473	0.7
503.25256	0.5
520.21625	1.9
520.28510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01855	6.7
55.05508	20.7
57.03425	11.7
58.06586	9.3
61.02921	8.5
67.05495	14.7
69.03427	24.8
69.07056	10.3
70.56063	4.3
70.56381	4.1
71.04977	9.0
72.26674	3.3
72.80109	4.3
73.02909	22.2
79.05473	15.0
81.03410	10.7
81.07046	22.8
83.04960	4.4
83.08607	6.6
85.02892	49.5
87.00842	4.5
87.04483	4.7
91.05453	19.0
93.07034	31.0
95.04942	10.7
95.08599	21.1
97.02876	34.6
97.06525	5.7
98.23480	4.3
105.03374	11.6
105.07008	57.4
107.04951	4.2
107.08590	29.2
109.02858	9.9
109.06529	4.0
109.10135	14.7
109.46315	3.3
111.08087	5.4
115.03920	15.3
117.06998	11.3
119.08574	39.3
121.06477	4.2
121.10140	59.7
123.08089	5.7
123.11716	7.9
127.03878	25.2
131.08568	29.2
133.04962	8.2
133.10097	45.7
135.08070	6.2
135.11691	20.9
137.05946	4.3
143.08566	5.7
143.10754	4.9
145.04942	16.8
145.10075	26.3
147.11674	100.0
149.09596	7.9
149.13240	4.2
151.11172	4.6
159.11662	11.1
161.13286	5.9
163.05992	5.8
163.11160	7.1
163.14722	4.0
173.13235	59.4
175.14803	52.5
177.12767	8.6
191.14278	78.4
191.17989	5.7
201.16354	17.4
209.15364	9.2
219.13670	3.7
219.17421	17.0
221.63806	3.8
237.18608	4.0
244.81107	3.4
258.53345	3.4
259.08072	5.0
284.94934	3.5
287.13351	3.5
303.04953	14.5
304.05283	19.8
520.22363	12.3
520.32263	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	520.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	1.1
59.04998	0.7
69.03425	1.0
69.07054	0.8
70.77897	0.8
71.04977	1.8
73.02901	2.7
73.06542	1.3
79.05499	0.7
81.07063	0.7
83.05005	0.7
85.02892	1.2
85.06530	0.8
87.04457	10.4
87.04949	1.1
89.06019	100.0
91.05459	1.1
91.24739	0.6
93.07028	0.6
95.04954	0.9
95.08588	1.2
97.02886	1.3
99.04436	5.6
105.07004	0.7
107.07089	1.9
107.08579	1.6
109.06536	0.6
109.10160	0.6
109.11753	0.5
111.24055	0.6
117.09113	0.9
119.04961	1.0
119.08567	0.7
121.10082	0.6
121.95848	0.5
123.08076	1.0
123.11716	1.1
126.25964	0.6
127.03906	1.0
130.08609	0.6
131.07024	3.2
133.08586	64.2
134.08942	0.7
135.10159	0.5
137.05949	1.3
139.11174	0.9
147.04402	1.8
147.07982	0.5
147.11728	1.0
161.13400	0.6
175.03912	2.5
175.09651	2.5
177.05424	1.0
177.11194	23.3
178.05064	0.7
181.04944	0.8
183.13789	2.1
191.14273	1.3
206.04451	0.9
206.80882	0.5
207.06464	5.1
208.03810	0.7
209.15338	1.3
212.16435	1.5
221.13824	4.0
227.16362	8.0
230.17601	0.8
232.40187	0.6
237.08975	0.6
239.14824	0.8
249.09085	1.1
253.08542	0.7
265.08664	2.1
265.16418	1.2
277.08545	1.2
283.17526	1.8
292.10922	2.4
293.08008	2.2
308.10287	2.8
309.18887	0.9
313.10770	1.0
323.12701	9.8
326.06580	1.8
341.10153	1.4
358.12875	0.9
459.27625	1.8
503.30588	8.0
503.63937	0.7
520.19849	2.3
520.34375	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85200	0.1
55.05500	0.2
56.05025	0.6
57.03434	0.1
58.06620	0.5
59.07382	0.2
60.08154	6.6
61.85448	0.1
67.05484	0.7
69.07054	0.3
69.59759	0.3
71.07364	3.6
73.13918	0.1
79.05467	0.1
81.07050	0.7
84.08125	0.1
86.09693	31.7
87.10027	0.3
91.05460	0.1
93.07026	0.2
95.08605	0.5
98.98448	3.7
104.10088	0.2
104.10731	2.7
105.07070	0.1
107.08565	0.1
124.99983	22.2
143.01044	0.1
175.82121	0.1
184.07314	100.0
185.07684	0.8
224.32184	0.1
242.23512	0.1
258.11023	0.2
259.00687	0.1
333.79507	0.1
337.27264	0.3
339.40833	0.1
502.32837	0.8
520.27710	0.1
520.33887	1.3
536.65375	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	520.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.05024	1.2
57.03410	0.2
58.06572	1.2
59.07383	0.4
60.08153	16.3
61.57272	0.2
65.94789	0.2
67.05160	0.2
67.05493	3.2
67.37969	0.2
69.07050	1.2
70.06564	0.3
71.07361	6.3
79.05473	0.8
80.05530	0.2
81.07046	2.6
83.08585	0.4
86.09690	47.8
87.10025	0.5
91.05468	0.5
93.07024	1.0
95.08589	2.0
98.22617	0.5
98.98453	4.4
101.28478	0.2
104.10724	96.9
105.11057	1.0
107.08549	0.3
109.10143	0.6
111.06599	0.2
121.10086	0.3
123.11632	0.2
124.99979	28.2
130.81900	0.2
143.64851	0.2
163.01526	0.6
181.02550	0.3
184.07307	100.0
185.07675	0.8
200.61688	0.2
229.69487	0.3
250.18332	0.2
258.11050	1.1
291.58621	0.2
337.27402	1.0
443.25531	0.4
483.22830	0.2
502.32895	8.5
502.40402	0.5
503.33340	0.4
520.33893	21.1
521.34448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86729	2.8
53.03941	3.2
53.59568	3.2
55.01871	3.3
55.05503	6.5
57.03431	11.1
57.57873	3.9
58.06594	59.0
67.05498	6.7
68.93429	2.8
69.03422	23.1
69.07059	5.3
71.04991	6.8
73.02908	13.3
81.03410	4.5
81.07046	6.0
83.04982	5.4
85.02901	44.5
86.09715	4.0
91.05479	13.2
93.07042	5.3
95.04958	69.3
95.08613	7.2
96.03739	3.4
97.02874	24.0
97.06524	9.6
99.04434	28.7
99.08053	3.9
103.05441	5.4
105.07027	12.6
105.87039	3.2
107.08601	10.7
108.09006	3.6
109.02876	4.5
109.06489	15.9
109.10164	11.1
110.99966	2.9
111.08106	5.8
115.03886	6.6
115.07561	3.7
119.04967	7.0
119.08578	8.4
121.06474	3.7
121.10149	15.3
127.03902	10.2
131.04916	8.2
131.08578	7.7
133.10127	23.5
135.08012	6.9
136.78906	3.2
137.05962	13.4
139.11197	4.0
145.04959	7.4
145.10098	5.1
147.04401	6.6
147.11632	17.4
153.09094	30.1
162.05545	3.2
163.05905	3.3
163.07513	6.8
163.14784	4.9
164.07074	3.1
171.10199	5.0
173.09465	3.6
173.13243	16.8
175.03923	9.1
191.14275	23.2
199.21799	3.0
207.06482	20.2
208.06021	3.6
209.15346	100.0
227.06993	4.8
227.16386	81.7
281.08118	3.7
282.08264	5.0
288.93442	3.3
295.09811	3.8
299.08734	4.8
313.10599	3.7
314.10910	4.2
327.05969	4.2
342.24182	9.0
343.24527	6.9
358.87445	3.3
360.14352	82.2
476.16162	4.1
486.14856	3.8
521.22046	62.0
521.29248	8.3
522.22803	6.4
522.30347	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	521.2589
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
53.03946	2.5
53.99503	1.6
55.01853	4.5
55.05501	8.7
56.62704	1.5
57.03431	15.5
57.07059	3.6
58.06581	3.0
59.04979	3.6
61.02909	6.0
67.05494	5.8
69.03417	30.0
69.07064	8.5
70.84216	1.7
71.01321	2.9
71.04974	3.6
71.44688	2.3
72.56809	1.5
73.02903	21.7
79.05483	8.5
81.03404	6.2
81.07045	17.5
83.04959	10.8
83.08607	6.4
85.02891	50.2
85.06522	3.5
86.09657	2.1
87.04446	4.6
91.03963	1.9
91.05481	9.1
93.07032	12.7
95.04955	30.0
95.08604	12.2
97.02879	33.7
97.06516	28.1
97.10153	3.0
98.97549	1.8
99.04410	8.4
99.08071	7.6
103.05462	2.9
105.07013	23.6
107.08580	22.5
109.02858	6.9
109.06502	48.2
109.10133	12.6
111.08057	6.6
113.09637	2.0
115.03909	12.2
115.07550	7.5
117.07005	2.7
119.08585	15.8
120.08100	8.2
121.06481	4.5
121.10122	23.2
123.08044	6.8
123.11703	6.2
125.09599	9.2
127.03880	17.0
127.07547	3.3
131.04893	3.5
131.08546	13.0
133.04971	12.2
133.10103	50.7
134.10481	1.7
135.08066	8.8
135.11662	4.6
135.22032	1.7
137.05954	14.6
139.11111	3.3
143.08539	2.7
145.04921	15.9
145.10094	5.4
147.11659	42.4
149.09583	4.7
149.13234	8.5
151.11137	6.7
153.09077	22.2
158.10887	3.3
163.03882	8.8
163.06017	4.7
163.11150	3.4
163.14784	9.7
164.15138	2.7
165.12724	7.0
166.09427	1.7
167.14258	4.6
171.10167	4.0
173.13223	25.1
173.14603	2.9
175.07593	4.3
177.05421	2.1
187.07512	5.3
189.09093	2.9
191.14285	35.1
209.15344	100.0
210.15678	3.8
227.16382	92.9
234.17679	1.9
241.07089	3.0
259.08145	2.8
276.13440	2.7
279.09985	2.3
291.10013	2.3
323.18863	1.8
360.14127	1.6
360.25336	4.1
521.19812	15.6
522.30457	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	521.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.6
55.05496	6.0
57.07048	2.9
67.05490	5.1
69.03419	5.2
69.42928	14.5
71.04997	4.8
81.07057	7.9
83.04967	3.7
85.02884	9.5
91.05489	3.8
93.07046	7.0
95.04916	3.0
95.08614	10.2
97.02896	7.7
105.06993	4.5
107.08590	15.5
109.06503	3.7
109.10167	7.2
114.35779	3.3
119.08565	3.3
121.10145	10.3
127.03931	5.0
127.11182	13.6
133.10139	14.7
135.11635	5.4
137.05988	3.3
137.09599	5.2
137.13234	5.3
147.11685	4.6
149.09587	27.1
149.13280	13.0
151.11130	4.6
163.14792	8.8
165.12686	6.3
167.73453	3.8
173.13266	15.7
191.14323	25.7
209.15376	21.4
227.16373	100.0
521.19965	3.8
522.30060	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	521.2589
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
53.63866	1.8
55.05498	6.8
58.23018	1.9
61.02937	1.7
64.48292	2.0
67.05495	2.1
69.03426	4.8
69.07062	4.3
70.44618	4.1
71.04971	3.4
73.02910	5.4
74.83850	1.8
81.07046	5.8
83.04970	10.9
83.08602	2.7
83.64026	1.9
85.02888	15.5
85.06527	2.1
91.05435	2.0
93.07040	4.9
95.08599	5.2
97.02886	5.3
97.06543	3.7
99.04458	6.1
99.08070	15.3
99.84351	2.2
101.06006	4.1
105.07007	3.6
107.08583	13.3
109.06551	2.1
109.10161	7.1
111.08099	4.1
115.03928	2.5
118.96230	2.5
121.10110	10.3
123.08073	2.7
125.06001	2.6
125.09618	7.0
127.03977	2.6
133.10086	9.2
135.08026	3.0
137.05978	3.2
137.09630	3.8
139.07510	3.5
139.11189	2.8
141.68503	1.8
147.04327	2.2
149.09601	14.9
149.13252	6.8
151.11194	9.4
153.09099	3.9
163.14807	6.3
165.12901	2.3
167.14301	5.8
169.12233	7.7
172.03877	4.7
173.13251	6.4
177.05574	2.5
191.14308	15.1
204.06569	5.8
205.06966	5.5
209.15337	100.0
227.16360	34.3
251.16373	5.3
280.10376	1.9
281.11124	2.7
293.08267	2.0
298.11798	3.0
299.12320	2.7
360.14127	2.1
521.20740	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2587
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
54.41994	1.7
55.01865	1.9
55.05499	6.9
57.03421	6.7
57.07064	3.4
58.06593	11.5
61.02927	3.4
67.05490	5.9
69.03420	18.3
69.07053	8.2
70.06590	1.9
71.04983	2.7
73.02924	9.7
79.05472	6.3
81.03407	3.8
81.07043	8.7
83.03065	1.7
83.04967	2.8
83.08607	5.0
85.02896	29.5
85.06527	7.3
87.04462	2.6
91.03971	1.9
91.05470	9.2
93.07035	35.1
95.04956	48.7
95.08585	6.2
97.02872	21.0
97.06522	9.1
99.04441	12.0
99.08055	2.3
103.05421	2.4
105.07002	11.6
107.08586	35.0
108.57053	2.0
109.06502	14.4
109.10123	6.0
112.48590	1.7
113.05960	2.3
115.03914	8.0
115.07553	13.8
119.08546	11.4
121.10131	100.0
121.91698	1.8
122.10462	1.9
123.11683	3.7
125.09615	2.3
127.03876	7.8
131.04932	4.7
131.08566	4.4
133.04962	8.5
133.10109	17.7
135.08029	4.2
135.11641	5.5
137.05923	2.2
137.65668	1.6
145.04936	8.6
145.10080	2.2
147.11642	11.5
149.13202	4.1
151.11172	5.3
153.09085	18.8
158.10838	1.8
161.09546	3.6
163.06006	3.1
163.14795	20.2
167.14334	3.0
171.10109	2.4
173.13268	11.5
179.60172	1.7
191.14290	27.1
207.06355	1.8
209.15341	78.8
227.16394	31.1
228.16530	2.1
282.08136	2.4
303.13336	2.8
305.17258	2.3
360.14453	8.1
377.50366	2.1
521.21991	19.7
521.29028	2.8
522.30621	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	522.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53425	0.3
53.03944	0.9
55.01865	1.0
56.05025	0.8
57.03428	1.5
58.06593	62.1
59.06926	0.4
61.02922	3.1
65.03934	0.3
69.03417	8.5
69.43288	1.9
71.01329	0.4
71.04990	0.9
73.02908	1.8
77.98711	0.4
81.03402	3.0
83.04939	0.4
85.02892	15.2
87.04457	1.9
91.03938	1.0
91.05474	0.4
93.07098	0.4
95.04948	0.5
97.02887	6.8
97.45590	0.3
97.77605	0.4
98.22649	0.7
99.04440	1.6
104.22581	0.3
109.02876	1.8
109.06511	0.5
116.61948	0.3
127.03886	3.5
145.04929	1.9
165.07030	0.7
166.04944	0.5
177.03299	0.4
185.05986	0.5
193.06499	1.1
197.05801	0.4
199.07445	0.3
209.15369	0.8
210.15701	0.4
211.07559	1.2
213.05490	1.8
227.07054	1.2
227.16371	1.1
228.04099	0.4
228.16838	0.8
237.05470	0.9
241.04924	1.4
245.04399	6.8
255.06628	0.7
271.05902	0.7
287.05490	1.9
297.07562	1.0
315.08569	4.5
319.32156	0.4
342.20490	0.8
342.24280	2.1
360.14352	100.0
361.14648	3.3
366.17255	0.4
522.19971	2.9
522.29828	2.9
523.23230	0.5
542.37469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01868	1.9
57.03428	1.6
58.06577	1.2
67.05514	1.0
69.03411	5.3
69.31784	4.9
73.02892	1.6
77.03912	1.2
79.05462	1.8
81.03398	2.6
85.02895	14.3
89.98669	1.2
91.05417	1.5
93.07041	1.5
95.04946	6.4
97.02878	5.7
97.10085	1.4
99.04427	1.3
105.03378	30.3
105.04462	2.7
105.07004	1.5
107.08633	1.3
109.02853	2.2
109.71327	1.3
117.97599	1.0
127.03916	3.4
127.40976	1.0
129.07010	1.5
138.09097	1.4
145.04903	3.3
148.26784	1.0
158.09682	1.3
165.09023	1.1
174.05492	2.4
178.07794	3.6
190.07686	1.3
191.08510	3.2
192.09174	2.1
193.10147	12.2
203.08568	1.6
207.07993	2.4
209.09651	2.2
211.07591	1.2
219.08034	3.6
220.08788	5.0
221.09589	1.8
221.58994	1.1
223.07552	1.9
223.11133	3.3
233.09547	2.5
235.07516	4.6
236.08237	10.1
237.09135	5.7
239.10666	2.7
241.08566	1.3
247.07509	1.4
249.09062	3.1
250.09709	1.7
250.14709	1.1
251.06837	1.4
251.10660	17.1
252.07700	2.0
253.08511	1.9
255.10068	5.3
262.09900	1.6
263.10553	3.7
264.07651	2.3
265.08511	4.6
266.09271	2.1
267.10162	8.8
277.08606	2.4
278.09305	2.0
279.10135	30.6
280.10904	15.3
281.08490	2.5
281.11679	46.2
282.08975	1.6
282.12112	2.2
283.09601	6.8
293.11554	2.6
294.12451	68.2
295.09637	32.3
295.12836	3.2
296.10455	7.7
297.11163	22.1
298.11566	1.6
309.11154	1.3
310.11948	44.8
311.12689	15.6
312.13470	14.9
313.10620	3.2
325.14294	64.5
326.14609	2.2
328.13025	23.9
343.15356	100.0
343.96164	1.2
344.15500	2.1
367.15189	1.3
462.22562	2.3
490.22308	2.9
522.24695	45.5
523.25079	2.9
532.77069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67493	0.9
55.01857	1.2
55.05498	5.8
57.03418	2.6
58.06591	1.8
61.02904	0.9
67.05491	2.7
69.03423	3.5
69.07061	12.2
73.02908	7.4
79.05488	3.1
81.07040	10.2
83.08615	3.5
85.02895	8.3
91.03954	0.9
91.05465	12.4
93.07032	4.9
95.08602	7.1
97.02901	6.3
98.23569	1.7
99.04453	1.6
103.05456	1.6
105.07013	20.2
107.08578	13.9
108.08141	1.3
108.52341	0.8
109.10140	3.2
115.03917	3.4
117.07002	5.2
119.08560	90.4
120.08936	1.7
121.10139	3.2
123.11696	4.1
127.03898	2.7
129.06998	0.9
131.08594	2.0
133.04959	4.7
133.10112	28.4
138.91185	0.8
145.04944	4.7
145.10158	1.8
147.11627	3.9
161.13319	2.0
163.06017	3.2
175.14795	100.0
176.15134	2.7
211.70532	0.8
219.29326	0.8
241.07082	1.2
245.46410	1.0
259.08142	2.9
295.10297	3.7
354.21017	0.9
384.21878	1.1
416.24307	4.3
434.25089	1.5
504.29526	2.2
522.30554	27.9
523.30878	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05496	1.7
57.07055	1.5
67.05495	5.8
69.03373	0.7
69.07056	4.9
69.98447	1.3
69.98792	0.8
71.82890	0.6
73.02906	0.8
73.41097	0.6
79.05479	1.8
81.07047	5.9
83.08598	1.3
85.02888	1.3
86.06077	0.9
91.05453	5.6
92.39080	0.6
93.07030	3.8
95.04940	1.0
95.08591	17.4
97.02899	1.2
98.23320	1.0
103.05447	1.0
105.07016	10.8
107.08555	4.9
109.06503	0.6
109.10140	18.8
116.10708	2.2
116.97998	0.6
117.07001	2.0
119.08563	42.9
121.10120	3.8
123.08072	0.9
123.11704	1.2
131.08525	1.7
133.10109	49.4
135.11679	9.1
137.09601	6.6
145.10088	2.6
147.11664	10.2
149.13231	2.7
151.14769	3.8
160.12498	2.8
163.08264	0.7
173.13197	0.9
175.14793	100.0
176.15120	1.7
193.15851	26.2
212.35435	0.6
244.18336	0.7
250.02692	0.7
360.23657	1.7
481.89291	0.6
522.29358	2.2
532.35516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
57.07059	2.2
66.89088	1.1
67.05493	4.9
67.98201	1.0
69.03405	1.5
69.07042	4.0
69.31429	1.1
79.05470	2.1
79.22993	1.0
81.07038	4.9
85.02915	1.1
85.06480	1.5
86.06008	1.1
91.05458	5.1
93.07032	4.1
95.08595	15.9
98.22705	2.7
105.07024	8.0
107.08564	4.5
109.06462	1.1
109.10143	19.4
117.07001	1.8
119.08556	38.9
121.10106	2.6
123.11658	1.4
131.08549	1.4
133.10107	45.6
135.11696	9.1
137.09583	7.4
145.10020	1.8
147.11650	12.5
149.13226	3.5
151.14790	3.4
175.14790	100.0
193.15848	27.2
193.17528	1.9
307.11386	1.1
328.18414	1.2
341.22021	1.1
481.69070	1.3
522.29938	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	522.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.05505	6.1
57.03428	12.5
58.06586	14.9
61.02907	7.6
62.57082	4.9
67.05505	10.4
69.03429	24.8
69.07072	8.4
71.04983	13.3
71.53431	4.9
73.02908	6.2
79.05489	11.5
81.03409	7.2
81.07043	24.7
85.02908	44.4
87.04459	10.7
88.71538	5.8
91.05466	16.2
93.07045	14.4
93.47160	5.7
95.04947	23.1
95.08608	15.1
97.02879	20.8
97.06532	13.0
105.03377	100.0
105.07010	12.4
107.08585	21.3
108.08044	7.9
109.06475	6.8
109.10131	12.3
115.03950	18.5
119.08582	21.1
121.10149	11.0
123.11675	10.5
127.03880	14.5
131.08539	11.1
133.04953	8.9
133.10104	11.5
135.11696	18.0
145.04929	7.3
147.04364	6.4
147.11644	7.1
149.13249	11.9
153.12772	6.8
154.12218	7.0
165.09106	15.1
167.08627	7.8
175.14824	23.4
190.74133	6.0
193.10091	7.9
193.15895	24.0
211.16919	54.2
221.18907	7.5
229.29874	5.6
260.29733	5.5
336.19586	6.7
362.87186	5.6
368.21942	6.5
402.25940	5.5
455.57227	6.1
520.13812	6.2
522.24078	21.5
522.33917	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	522.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55080	0.6
56.05017	1.7
57.76981	0.5
58.06596	9.0
67.05508	0.7
69.12049	0.5
69.12405	3.7
72.08134	2.8
79.05484	1.1
80.05038	0.7
84.08122	1.1
86.09688	1.0
88.07618	0.9
91.05450	2.9
93.07011	0.8
96.08129	1.9
103.05465	0.6
105.07018	1.4
107.04950	2.8
108.08099	4.5
111.04406	0.5
114.01286	0.5
114.09113	0.7
115.05536	0.7
117.07004	1.9
119.08604	0.8
121.06503	1.1
122.09655	1.3
124.11176	1.0
126.09119	1.1
128.06192	1.0
129.07013	2.2
131.08554	2.0
135.57460	0.5
138.09123	1.2
140.10689	3.8
141.07013	1.4
143.08553	2.1
153.06982	1.1
154.07648	0.7
154.12141	0.6
155.08571	1.7
157.06477	1.1
157.10060	1.3
167.08574	1.6
169.10147	1.2
179.08624	0.8
181.10078	0.7
185.09489	0.8
188.14394	0.6
191.08595	0.7
192.09407	0.9
193.10248	1.1
200.14365	1.5
203.08601	0.6
205.10124	0.6
207.11708	0.7
216.09258	1.0
233.13210	0.7
251.14383	0.7
278.15503	0.6
294.18585	1.8
306.18530	1.4
322.71359	0.6
324.19598	1.7
354.20496	1.0
356.22076	0.8
366.20578	1.6
384.21521	3.9
398.23074	3.8
416.24258	18.6
417.24484	0.8
430.25940	1.2
434.25333	9.0
472.27136	0.7
504.29572	10.6
505.30386	0.6
522.30536	100.0
523.30804	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	522.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.4
58.06593	4.9
63.89720	0.3
67.05499	0.5
70.06573	0.8
70.56358	0.4
71.04992	1.5
72.08138	2.6
75.04478	1.7
75.80782	0.3
78.06069	0.3
79.05476	1.3
81.07063	0.4
81.23804	0.3
84.08118	0.6
88.07635	0.6
91.05479	2.4
93.07014	0.8
95.04946	0.8
96.08115	0.4
96.24442	0.4
97.06526	0.4
98.09685	0.6
98.22633	0.5
102.09172	2.6
103.05459	0.7
105.07009	2.1
107.04931	0.7
108.08109	3.4
109.06529	0.8
115.05470	0.7
117.07005	1.6
119.08588	0.6
121.06504	0.9
121.08908	0.6
122.09651	1.8
123.08023	0.4
124.11219	0.7
128.06174	0.7
128.10680	0.4
129.06972	2.1
131.08562	1.1
133.06485	0.8
133.10139	0.5
135.08015	1.5
136.07591	0.4
141.06973	1.2
143.08571	1.4
145.06508	0.5
146.09665	0.6
147.08047	0.9
152.10667	0.8
153.06949	0.8
154.12253	1.5
155.08531	1.4
157.06577	0.4
157.10194	0.6
158.09674	0.9
159.08054	0.5
160.11218	0.4
161.09644	0.4
165.06932	1.2
167.08559	1.1
169.10118	0.6
172.11223	1.0
173.09673	0.5
174.12805	0.4
175.14778	0.4
178.07767	1.1
178.12227	1.3
179.08525	1.8
181.10112	1.1
184.11157	0.5
185.09592	0.8
188.10725	0.4
188.69543	0.3
189.06932	0.3
191.08542	1.4
192.09319	0.8
193.10117	1.0
195.08023	0.6
197.09619	0.6
202.07739	0.4
203.08612	1.4
204.09341	0.8
205.10103	2.0
207.11719	1.0
209.09599	0.5
211.11179	0.6
213.12878	0.3
215.08580	0.8
216.09387	0.6
217.10078	1.1
218.10899	0.8
218.15193	0.5
219.11736	0.9
221.09775	0.5
223.11198	0.4
228.09380	0.5
231.11662	1.0
233.09561	0.6
233.13237	1.2
235.11217	0.5
243.11713	0.6
245.13316	0.4
247.11166	0.3
248.14403	0.4
249.12651	0.7
263.14297	0.8
276.17441	0.4
280.16937	0.5
288.17532	0.7
290.15665	0.4
292.16946	0.8
294.18747	0.4
295.16791	0.5
297.42297	0.3
306.18576	0.8
310.17950	0.4
320.20163	0.6
323.16562	0.4
338.21204	0.5
342.20679	0.6
352.18665	0.5
352.22690	1.3
354.20636	0.4
356.22000	0.4
366.20615	0.5
368.22095	0.4
370.23923	0.8
380.22128	1.2
384.21378	1.7
398.23563	0.7
412.24771	6.8
416.24216	5.2
417.24588	0.5
430.25888	3.3
444.27408	30.3
445.27835	1.3
456.55453	0.3
462.28415	23.3
463.28613	1.5
504.29764	1.9
522.30542	100.0
523.30927	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90822	0.5
55.05498	1.4
56.05032	2.1
57.07065	1.1
58.06594	7.2
59.30277	0.5
61.42233	0.5
67.05504	1.2
69.03417	1.7
69.07059	1.7
69.68764	1.6
71.04994	0.7
72.08141	1.8
73.02897	1.3
79.05474	2.0
81.03373	0.5
81.07053	2.2
84.08136	1.6
85.02892	1.9
86.09721	0.6
91.05474	4.5
93.07033	2.0
95.04958	1.0
95.08601	2.0
96.08097	1.0
97.02892	0.8
97.13966	0.6
98.22650	0.8
105.03345	0.7
105.07019	4.0
107.04957	2.3
107.08597	2.4
108.08117	4.1
109.02747	0.6
109.10146	0.7
111.04383	0.5
115.03909	0.8
117.07019	1.5
119.04893	0.6
119.08573	13.0
119.09420	0.9
121.06493	0.8
121.10170	0.7
122.09676	1.2
123.11690	0.8
127.03941	0.9
129.07010	1.8
131.08586	2.1
133.06487	0.6
133.10088	4.0
135.08032	0.6
137.06052	0.6
138.09100	0.7
140.10657	2.8
141.06967	2.1
142.07779	0.5
143.08522	1.3
145.04987	0.9
145.10115	0.7
147.11684	1.0
154.12277	0.6
155.08568	1.4
157.10132	0.9
159.08044	0.5
161.13077	0.5
162.12642	0.6
167.08560	1.2
169.10098	1.1
171.07961	0.5
175.14804	13.1
175.16324	0.7
178.07828	0.5
179.08539	0.9
186.12839	0.8
191.08566	0.7
193.10182	1.1
195.07986	0.6
200.14220	0.7
203.08435	0.8
205.10132	0.9
221.13263	0.6
249.88924	0.6
251.14209	0.6
294.18573	1.2
295.10193	0.7
306.18329	0.7
324.19672	1.5
354.20483	0.9
358.19791	0.9
366.20602	1.1
384.21643	4.6
398.23032	1.9
402.22708	3.4
416.24231	10.9
420.23773	1.2
430.25839	1.9
434.25357	4.4
462.28339	0.9
504.29489	7.4
522.30548	100.0
523.30945	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.81393	0.4
55.01854	0.5
55.05489	0.7
57.03421	1.5
58.06592	0.9
61.02908	1.4
62.06077	5.1
67.05485	1.5
68.99902	0.3
69.03418	6.1
69.07059	0.8
70.06184	0.4
70.06570	0.6
70.71471	0.6
71.04967	0.6
73.02908	0.9
74.06064	0.7
79.05482	2.1
81.03407	1.7
81.07047	3.2
83.04961	0.7
85.02882	8.8
87.04449	1.2
88.36265	0.3
89.13376	0.4
91.05476	2.7
93.07043	3.3
95.04967	1.0
95.08595	2.8
97.02891	3.8
99.04459	0.7
105.07011	5.4
107.04942	0.4
107.08550	2.3
109.02854	0.9
109.06505	1.1
109.10119	1.3
110.82320	0.4
115.03905	0.4
115.05413	0.4
117.07001	1.9
119.08546	2.6
121.10125	1.1
127.03898	2.1
129.06989	2.8
131.04984	0.6
131.08540	6.5
133.02815	1.3
133.10072	2.0
135.04347	0.9
135.11662	0.7
136.07573	0.5
137.05956	0.5
141.06982	3.9
142.07729	0.6
142.63631	0.4
143.08513	3.5
145.04961	1.4
145.10092	2.7
147.11688	1.7
149.02307	6.6
149.13251	0.9
155.08524	5.0
157.10101	3.2
159.11665	2.2
161.13278	0.6
163.03874	31.2
163.14804	0.7
164.04243	0.8
166.04933	0.5
167.08499	0.5
169.10098	2.2
171.11656	2.5
173.13235	5.1
175.11142	0.4
175.14757	2.8
178.07748	1.5
179.08467	0.7
181.04927	3.0
181.10091	1.8
183.11667	6.8
185.13260	1.4
187.11130	0.8
187.14722	0.9
189.12598	0.4
191.08493	0.9
193.10110	6.8
195.11649	1.5
197.13284	1.6
199.14804	0.7
207.11678	0.4
209.13249	0.6
211.11206	1.1
211.14815	1.7
214.18045	0.8
221.13243	0.9
223.14861	0.6
225.16280	2.3
238.95125	0.4
239.17897	1.2
247.06114	0.4
253.19450	10.5
255.21092	1.8
261.54489	0.5
263.17975	0.8
265.19550	0.7
281.19061	1.1
283.20557	1.7
325.09128	2.6
326.24786	1.0
342.24255	1.3
344.25781	7.7
360.14413	1.5
360.25293	7.7
522.30518	100.0
523.23657	0.8
523.30823	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	522.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
56.05043	0.8
57.03427	0.9
57.58962	0.8
58.06593	12.4
61.02924	2.7
69.03415	5.7
70.06582	1.1
71.66735	0.8
72.08144	2.4
73.02903	2.1
74.06068	1.9
78.02052	0.8
79.05492	1.0
79.17867	0.8
81.03407	2.6
81.07064	2.0
84.08166	2.2
85.02891	11.5
87.04453	1.0
90.80354	0.7
93.07044	1.2
95.05005	0.9
95.08627	1.2
97.02866	4.3
98.09712	1.6
98.97591	1.0
99.04468	1.4
101.59189	0.7
105.07053	2.1
107.08601	1.2
109.02886	1.1
110.09655	0.9
111.04478	1.5
113.00449	0.8
119.50995	0.9
120.28620	0.9
127.03934	1.8
129.07034	2.1
130.65593	0.8
131.08542	1.4
133.10124	0.8
135.04430	3.4
139.03920	3.3
141.07021	1.1
143.08641	2.2
145.04987	2.1
145.10118	1.3
155.08592	1.1
161.05997	1.4
163.03908	2.6
164.07050	1.0
165.06984	1.0
166.05046	1.1
166.72372	0.9
167.08533	1.0
169.10144	1.9
171.11694	1.2
173.13332	0.9
178.08606	9.2
179.08650	1.6
181.05003	2.7
181.10062	2.0
183.11723	1.1
185.06015	1.0
189.05473	1.8
193.10126	1.7
207.06569	1.1
207.11578	0.9
209.13344	1.1
221.13260	1.5
233.13203	1.0
261.66370	0.8
306.22095	1.2
324.19733	1.9
324.23132	8.1
325.09229	1.0
326.25089	1.3
333.99594	0.8
342.20538	3.9
342.24194	25.8
343.24423	1.0
344.26041	2.0
360.14359	8.1
360.21744	2.2
360.25565	1.9
486.28366	2.0
504.29489	92.5
505.29675	4.1
522.30664	100.0
523.31042	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	522.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22225	0.4
55.05503	0.5
56.05027	0.8
57.12625	0.3
58.06592	5.0
61.02925	0.5
61.40440	0.3
67.05497	1.3
69.03426	0.7
70.06584	0.7
71.04977	1.2
72.08144	2.6
75.04461	0.5
79.05489	1.3
81.03385	0.5
81.07051	0.7
84.08113	0.5
85.02887	1.8
85.06528	0.4
86.06041	0.5
87.04417	0.4
91.05461	3.7
93.07027	1.4
95.04962	1.3
95.08636	0.4
97.02868	0.6
97.06544	0.4
98.09647	0.5
99.04465	0.5
102.09190	0.5
103.05442	1.0
105.07011	2.5
107.04946	0.7
107.08537	0.5
108.08095	3.2
109.02884	0.5
109.06521	0.7
111.51144	0.4
115.05466	1.2
117.07014	2.1
119.08579	0.9
121.06490	1.5
122.09645	1.5
123.08018	0.6
124.11211	1.1
127.33846	0.3
128.06201	0.8
129.06985	3.4
131.08578	1.7
133.06487	0.8
135.08057	1.5
137.05957	1.2
141.06952	1.6
142.07791	0.4
143.08510	2.1
145.06459	0.6
145.10129	0.4
147.08073	0.7
148.11240	0.5
151.07564	0.8
152.10660	0.5
153.06985	0.6
154.12282	0.9
155.08488	1.7
157.06546	0.4
157.10080	0.7
158.09653	0.9
159.08054	0.7
160.11241	0.5
161.09637	0.8
164.10803	0.5
165.06999	1.6
166.07793	0.9
167.08508	2.3
169.10126	1.3
171.08089	0.7
173.09590	0.7
175.14813	0.7
178.07745	0.7
179.08519	1.7
180.09286	0.6
181.10133	1.6
183.07997	0.5
185.09564	0.8
188.10703	0.5
189.09180	0.9
191.08546	1.5
192.09232	0.9
193.10130	1.4
195.08051	0.4
195.11697	0.6
197.09731	0.5
199.11205	0.5
202.07692	0.4
203.08513	1.2
205.10124	1.8
207.11739	1.1
209.09634	0.5
215.08524	0.6
216.09277	0.5
217.10080	0.8
218.10892	0.9
219.11783	0.7
221.09584	0.5
221.13333	1.1
223.11205	0.8
223.14703	0.4
228.09196	0.3
231.11681	0.4
233.13321	0.8
234.12521	0.4
235.11246	0.5
237.12726	0.7
248.67741	0.4
249.12651	0.6
251.14378	0.7
254.19749	0.3
263.14203	0.6
264.97812	0.4
266.15488	0.7
278.18964	0.4
284.04266	0.4
285.04459	0.4
293.15262	0.4
306.18359	0.7
308.19742	0.4
310.17746	0.4
312.03610	0.6
313.03802	0.6
327.06061	2.0
328.06372	5.6
331.15335	0.4
338.21017	1.3
338.59900	0.4
342.20676	0.4
353.17255	0.4
359.08698	1.3
360.08994	4.4
370.20108	2.7
380.22275	0.4
398.23157	3.6
402.22577	0.5
412.24637	1.7
430.25812	25.7
431.26129	1.4
444.27362	1.2
462.28400	24.5
463.28809	1.6
490.27960	1.5
504.29199	0.4
522.30524	100.0
523.30817	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	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05489	1.4
55.19808	0.4
56.05017	1.4
57.03409	0.7
57.07062	0.7
58.06586	1.1
59.07366	0.7
60.07869	0.8
60.08155	15.8
61.65707	0.4
67.05494	1.4
69.07066	2.4
70.72315	0.6
71.07364	6.7
79.05492	0.9
81.07036	1.9
83.08609	1.5
86.09693	47.4
93.07011	1.0
93.79735	0.4
95.08594	1.8
97.10134	0.4
98.98460	4.0
104.10726	99.3
105.11055	0.8
107.08572	0.6
109.10117	0.7
121.10128	1.0
124.99981	26.1
135.11647	0.6
142.23575	0.4
144.98499	0.4
148.69713	0.4
163.01556	0.7
184.07314	100.0
185.07646	0.4
198.62224	0.4
251.23703	1.3
258.10995	1.0
325.27249	1.1
339.28879	1.5
389.93314	0.4
444.43344	0.4
504.34396	8.9
505.34497	0.6
522.35486	28.9
523.35864	1.4
529.76685	0.4
541.92938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08416	0.1
50.17059	0.1
55.05495	0.4
55.33161	0.1
55.92220	0.1
56.05031	0.7
57.03435	0.2
57.07059	0.1
57.97482	0.1
58.06615	0.6
59.07374	0.1
59.18383	0.1
60.08153	6.5
67.05487	0.6
69.07058	0.4
70.06585	0.2
70.13142	0.3
71.07365	3.2
78.41771	0.1
79.05458	0.2
81.07042	0.6
83.08595	0.4
86.09690	30.1
87.09975	0.2
92.28328	0.1
93.07017	0.3
95.08572	0.3
97.10169	0.1
98.23492	0.2
98.98445	3.3
104.10722	3.0
105.07006	0.1
107.08553	0.2
109.10172	0.1
118.34048	0.2
124.99981	21.4
129.75565	0.1
135.11598	0.1
143.01050	0.1
184.07307	100.0
185.07692	0.6
231.31750	0.1
258.10916	0.2
294.38535	0.1
339.28876	0.2
351.51093	0.1
504.34247	1.1
522.35468	1.8
523.34985	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	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65346	0.4
55.05512	2.1
56.05020	0.9
57.03418	0.7
57.07055	0.6
58.06590	1.3
60.08155	15.9
67.05497	3.1
68.29353	0.4
69.07062	3.3
71.07364	6.5
71.08621	0.6
78.47168	0.4
79.05492	1.0
81.07030	2.0
83.08598	2.0
86.09692	50.1
92.23231	0.5
93.07050	1.2
95.08594	1.5
96.35240	0.4
97.10143	0.7
98.98446	4.6
104.10725	82.2
105.06960	0.6
105.11069	1.0
107.08575	0.5
109.10157	1.6
114.81245	0.4
121.10138	1.1
124.99982	29.1
135.11653	0.7
136.99989	0.5
158.03159	0.4
163.01535	0.5
184.07312	100.0
185.07637	0.7
240.74677	0.4
258.11020	0.8
260.27972	0.4
325.27386	0.5
339.28891	0.9
376.56830	0.5
504.34317	8.5
522.35455	23.4
523.35516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.9
56.05029	1.9
57.03421	4.5
57.07059	2.6
58.06600	10.1
59.04990	8.6
61.02923	3.5
65.41140	1.3
67.05508	3.7
69.03426	13.7
69.07065	3.4
69.30338	1.4
70.06581	2.2
71.04986	5.5
72.08152	5.4
73.02923	5.1
75.04497	2.7
79.05491	6.2
81.03406	2.2
81.07053	9.2
83.08617	1.9
84.08151	2.3
85.02904	13.0
85.06532	2.2
86.09716	1.4
87.04478	5.4
91.05480	6.7
93.07016	7.2
95.04966	4.5
95.08620	6.4
96.08125	1.5
97.02895	11.0
99.04477	4.3
102.09170	3.4
103.05495	2.1
105.03393	8.9
105.04492	1.6
105.07021	8.4
107.04950	2.1
107.08598	5.4
108.08120	5.1
109.02872	2.4
109.06533	3.5
109.10152	5.2
111.08081	2.4
113.01545	3.0
115.03923	10.0
117.07061	4.3
119.08553	8.7
121.06486	2.5
121.10136	3.3
122.09649	2.4
123.08065	2.3
123.11753	3.5
124.11248	2.1
125.01534	57.1
127.03962	2.3
129.06964	4.0
130.07849	1.9
131.08549	2.3
133.04973	9.7
133.10129	9.4
135.11710	6.0
137.05986	1.8
137.09595	2.1
139.03087	8.0
141.01045	6.9
141.06943	1.5
143.08565	2.5
145.04997	4.6
145.10052	2.2
147.11697	3.4
149.09630	1.5
153.07010	1.6
154.12308	2.1
155.02704	2.4
161.13362	1.8
165.04642	35.4
165.09097	8.1
167.08615	3.3
169.00456	8.9
175.14879	6.6
176.15042	2.3
177.09251	1.5
177.16331	2.0
179.08536	2.3
181.10040	2.0
183.05765	6.5
184.68250	1.5
193.10165	2.3
193.15926	4.5
194.16206	1.4
202.21271	1.7
203.18074	1.7
205.10184	3.7
211.05185	77.6
215.08817	1.7
216.09036	1.6
229.06242	13.9
229.17690	1.6
231.11751	2.7
307.26340	1.8
370.20282	4.2
374.51279	1.6
412.24908	5.7
413.25226	5.6
416.24387	6.4
417.24857	3.2
430.26050	3.7
431.26321	3.2
440.25098	1.6
444.27432	23.3
445.27786	18.2
462.28452	21.8
463.28839	13.4
478.26077	2.7
492.23831	1.9
504.29462	4.1
505.30286	3.5
522.30536	100.0
523.21777	3.9
523.30908	93.0
524.26337	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46344	0.2
70.66469	0.3
72.79207	0.2
75.68992	0.2
97.06562	0.2
105.03394	0.8
132.38068	0.3
179.86441	0.2
179.91510	0.2
185.04236	0.2
195.11609	0.3
203.05203	0.6
204.75131	0.2
259.07953	1.1
301.95151	0.2
331.09973	0.3
361.19705	1.3
419.77243	0.2
521.31250	0.2
523.25049	100.0
524.25446	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	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.2
58.06591	10.0
64.43234	6.3
67.05476	9.0
69.07068	22.6
71.04997	7.4
79.05473	10.1
81.07038	13.4
83.10984	6.5
85.02905	16.9
91.05515	6.9
93.07034	11.8
95.05003	6.5
95.08580	17.7
97.02882	11.7
105.03391	21.2
105.04547	7.8
107.08588	14.1
109.10159	10.8
119.08544	10.8
121.10127	7.2
123.11692	8.9
133.10107	9.9
135.11667	7.2
136.11971	6.2
137.09578	10.3
149.05978	8.0
159.46513	6.0
165.09094	23.8
175.14813	8.6
193.15895	8.7
304.46600	6.1
413.25134	6.7
445.27576	22.0
463.28891	22.3
523.31171	100.0
524.23553	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
54.52927	1.5
55.01879	2.1
55.05508	23.0
57.03436	9.0
57.07071	54.4
57.10162	1.7
60.08155	1.7
65.03934	1.9
67.05499	38.9
69.03414	3.6
69.07064	16.9
71.04990	4.3
71.08622	36.2
71.85560	1.6
79.05488	22.0
81.03404	46.3
81.07050	43.6
83.04969	9.0
83.08614	32.6
85.02898	25.9
85.06551	2.5
85.10173	16.0
86.09705	5.3
91.05470	25.2
93.07023	16.8
95.04954	25.0
95.08591	39.9
97.02903	2.4
97.06528	2.8
97.10149	9.7
98.22706	5.4
99.34426	1.5
104.10733	5.4
105.07018	19.3
107.04965	3.2
107.08622	4.6
109.06507	3.4
109.10139	21.4
111.04444	2.8
111.08066	8.3
113.06001	2.3
119.08568	15.9
121.10156	9.5
123.08058	2.5
123.10073	1.5
123.11738	5.9
125.09635	2.4
129.06955	8.2
131.08513	8.1
133.06430	3.6
133.10097	8.9
137.09586	1.9
137.13319	2.8
142.07835	3.1
147.08052	2.7
147.11671	12.7
149.09615	6.3
154.94130	1.8
157.10136	11.0
172.95215	4.2
175.11153	15.5
184.07317	8.8
193.12221	47.0
193.13966	2.9
196.68004	1.6
210.97723	5.9
211.13251	57.2
235.58629	1.6
239.23727	7.3
259.50305	1.9
267.15866	6.6
313.27432	6.7
463.84451	1.8
523.23584	4.2
523.39966	100.0
524.39893	3.7
548.28839	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93192	2.7
55.05500	5.3
57.03432	11.5
57.07062	23.6
59.68045	2.6
67.05508	14.2
69.07060	9.1
71.08620	17.8
71.08981	2.6
77.60580	3.3
79.05473	8.7
81.03404	44.6
81.07051	19.3
83.08612	20.7
85.02914	3.3
85.10173	9.7
91.05474	9.6
93.07021	7.2
95.04961	12.7
95.08570	15.0
97.10152	5.3
98.54050	3.2
105.07014	7.1
109.10162	12.2
111.08076	7.9
119.08543	4.6
123.11607	3.0
124.62138	3.0
129.06914	3.1
131.08578	5.1
133.10075	3.8
147.11771	3.4
157.10165	5.3
175.11177	8.1
193.12213	47.6
211.13266	16.5
238.25253	3.3
239.23694	9.6
267.15875	91.1
313.27295	100.0
505.38794	44.7
523.39917	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01866	9.9
57.03431	21.8
59.04991	2.1
60.04514	2.0
61.02916	17.3
69.03419	37.5
71.01344	5.6
71.04993	2.1
73.02907	100.0
81.03401	4.4
84.35216	1.2
85.02893	81.4
86.95939	1.5
87.04447	5.3
91.03962	4.4
96.04473	1.8
97.02245	3.1
97.02879	64.6
98.23456	4.8
99.04449	4.8
103.03920	2.5
109.02840	7.6
115.03919	34.8
125.01506	11.2
127.03893	26.2
132.06546	1.7
133.04944	41.9
136.94409	1.3
144.06577	3.8
145.04938	38.8
146.05338	1.4
150.07622	6.6
156.06503	1.6
162.07579	4.2
163.06001	14.7
167.06206	20.1
180.08656	4.4
199.06073	1.8
213.06787	4.1
217.07016	2.6
223.06023	5.1
241.07027	5.9
259.08102	6.4
276.11014	1.5
294.11966	3.0
317.33426	1.5
524.29755	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	524.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	24.9
59.04995	5.9
60.04519	3.0
61.02925	3.2
69.03420	82.6
69.19462	13.0
72.91063	1.8
73.02891	5.9
81.03419	2.7
85.02396	4.4
85.02892	71.6
85.03407	4.5
87.04453	57.8
88.66444	2.0
97.02876	71.3
98.22752	3.3
99.04446	3.9
109.02802	2.3
115.03914	88.5
125.01563	11.3
127.03890	8.9
133.04944	100.0
145.04948	19.0
150.07571	12.4
163.06007	4.0
167.06252	10.4
171.30919	1.9
195.11696	4.6
259.07852	3.1
277.09207	2.3
374.45120	2.6
384.53650	2.2
393.65390	2.1
524.29657	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	524.2639
Annotation	19,20-Epoxycytochalasin Q
Peak:m/z	Relative Intensity
55.05495	0.6
57.03407	0.6
57.21924	0.5
58.06595	5.0
59.25163	0.5
67.05495	1.4
69.03414	1.5
71.04980	4.2
72.08143	1.4
74.23105	0.5
77.03922	0.9
79.05479	1.2
81.03400	0.8
81.07044	0.9
84.08108	0.8
85.06493	0.6
91.05457	1.2
93.07008	0.8
95.04964	4.0
97.02865	1.5
97.06516	1.4
98.22683	1.5
105.03378	23.3
105.04482	1.3
106.87948	0.6
107.04936	0.6
108.08109	2.0
110.09686	1.1
117.06998	0.9
122.09625	0.9
127.07529	0.9
129.06921	0.9
134.09561	1.1
137.05936	1.2
141.06931	0.7
148.11203	1.9
155.08514	1.3
157.06465	1.1
160.11200	1.2
165.07053	0.8
167.08563	0.7
172.11205	1.5
174.12669	0.8
180.13823	1.8
183.08070	1.3
184.11086	0.9
186.36688	0.6
190.12276	1.1
195.08076	1.0
197.09671	0.8
198.12721	0.7
200.10753	1.0
206.15366	1.6
207.16084	0.7
208.16922	2.8
210.12804	0.7
212.14149	0.6
214.12286	1.1
216.13853	0.6
221.09570	0.9
226.12157	1.2
230.15329	1.0
238.12297	1.1
240.13786	1.2
242.11676	0.9
250.12338	0.6
252.13742	1.2
256.16733	0.7
264.13681	1.2
266.15390	2.4
268.13226	0.8
281.11642	0.7
282.14832	1.0
284.16595	1.4
296.16458	1.0
298.17874	2.0
308.16183	0.7
310.18121	0.8
314.21069	0.6
322.18027	0.7
324.19693	3.0
338.17441	1.5
340.19019	1.6
342.20660	3.3
370.20065	21.4
371.20245	1.2
402.22739	1.5
404.18314	1.4
406.20187	3.0
418.20026	2.7
420.21609	6.1
432.21667	0.6
433.16800	0.8
434.20053	1.4
446.23254	1.6
446.28488	0.9
460.20935	2.0
462.22681	6.8
464.24265	3.3
474.22375	1.7
476.24191	0.8
478.25827	11.0
490.22018	1.8
492.23740	8.4
493.24316	0.9
494.25354	3.3
496.27097	2.7
506.25159	1.2
524.26257	100.0
525.26801	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	524.3003
Annotation	Pyrichalasin H
Peak:m/z	Relative Intensity
53.03941	1.2
55.05512	1.1
56.05025	1.2
58.06598	6.2
65.03918	0.7
67.05492	2.3
69.03426	1.6
69.07062	1.0
70.06583	0.8
70.56506	1.2
71.04982	1.6
72.08148	4.5
72.92464	0.7
79.05495	1.5
81.07070	3.3
82.06590	0.8
83.08584	0.7
84.08128	0.8
85.02892	2.1
91.05447	3.4
93.07030	2.2
93.55144	0.6
94.06533	0.8
95.04950	4.0
95.08601	3.1
97.02811	0.8
98.09677	1.6
102.09138	0.9
105.03380	26.4
105.04453	1.0
105.07021	2.4
107.04948	1.2
107.08595	2.1
108.08096	1.4
109.10133	3.2
110.09682	1.1
119.08586	2.6
121.06525	1.6
121.10167	1.6
122.09668	1.4
123.08024	0.7
123.11707	1.8
129.07021	1.4
133.10132	0.7
137.09569	5.8
143.08553	1.1
145.10117	0.8
147.11697	0.7
148.11201	1.1
153.06992	0.9
155.08557	1.1
157.10106	0.8
163.91289	0.9
165.09093	48.4
166.09517	0.7
167.08563	1.6
169.10062	1.2
172.11118	0.7
179.08546	1.1
181.10081	1.6
184.13287	1.0
193.10149	0.9
195.08075	2.2
195.11739	0.9
195.17480	2.5
205.10237	1.0
205.12242	1.6
206.15387	1.0
212.14938	0.7
212.17059	0.7
213.18657	0.9
219.11752	1.0
267.19669	1.0
282.18607	0.8
306.22153	0.9
310.21533	1.4
324.23352	1.2
342.20544	1.4
370.24023	1.6
374.23309	1.2
402.26340	19.6
403.26913	0.8
404.22064	4.2
432.25253	22.6
433.25684	1.1
443.31686	1.0
464.27933	4.3
471.30728	0.8
489.32275	0.8
492.27701	3.8
506.29071	7.8
524.30054	100.0
525.23071	1.3
525.30133	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	524.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.2
64.22192	4.1
67.05497	4.7
69.03414	17.5
69.07059	5.6
69.60098	11.4
81.07052	7.1
83.08620	4.5
85.02893	14.2
85.06553	3.6
87.04443	6.3
90.96764	4.9
93.07037	10.2
95.08610	24.4
95.09113	4.4
97.02878	12.3
98.23461	4.3
99.08060	7.2
105.03384	4.3
107.08569	23.8
109.10143	7.5
111.08085	7.1
115.03911	12.0
118.52316	3.6
121.10139	41.2
133.04942	12.3
135.11649	6.0
137.13223	6.0
149.13266	4.5
177.16370	100.0
195.17404	27.2
213.18471	39.9
487.12445	4.7
524.22742	4.8
525.22894	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.1
56.05016	1.5
57.03410	0.5
57.07065	3.3
57.51346	0.4
58.06591	1.3
59.69795	0.4
60.08154	16.8
67.05491	1.4
69.07052	0.7
69.32762	2.4
71.07367	6.4
71.08627	2.1
79.05467	0.5
80.21339	0.4
81.07029	1.2
83.08606	0.8
85.10160	2.0
86.09694	47.0
95.08591	1.6
97.10110	0.6
98.98454	3.9
104.10728	100.0
105.07058	0.5
107.06940	0.4
109.10165	0.9
124.99987	26.6
163.01527	1.0
184.07314	96.1
185.07616	0.7
253.25398	0.8
258.11020	1.7
327.28952	1.3
341.30426	1.2
506.35971	7.3
524.37042	24.9
525.37195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.4
57.03434	12.0
57.07068	3.0
57.96734	1.6
59.04993	5.4
65.03925	2.6
67.05499	100.0
69.03416	2.1
69.07065	10.0
69.86960	3.7
69.87352	3.1
71.04999	2.6
79.05486	20.6
81.07049	34.7
83.08611	8.3
88.36440	1.7
91.05469	15.6
93.06514	2.5
93.07039	24.9
95.04953	3.5
95.08599	27.4
97.10140	2.7
98.22803	2.0
105.06995	5.5
107.08590	12.0
109.10148	77.5
111.08080	3.1
119.08558	10.1
121.10173	8.2
123.11698	4.3
127.26392	1.5
131.08572	4.6
133.10118	4.8
135.11667	7.1
137.09625	3.0
145.10095	3.9
147.11623	2.2
149.13278	4.3
155.10652	4.4
163.14798	2.2
173.11734	23.4
173.13158	2.8
229.14328	74.2
230.14735	1.8
243.21045	3.3
261.22110	11.0
277.92981	1.7
296.13922	2.0
335.25784	61.5
489.35715	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	526.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42111	0.9
55.01862	2.9
57.03420	3.5
57.07064	1.9
58.06586	2.7
67.05492	3.5
69.03403	3.3
69.07057	11.2
70.40916	1.1
71.44781	1.1
73.02938	0.9
79.05481	8.9
81.07033	4.6
83.04973	1.6
85.02875	5.1
91.05468	13.7
93.07034	1.4
95.04932	3.7
95.08553	1.4
95.78591	1.1
97.02889	3.0
97.06519	63.8
97.10140	1.0
105.03384	7.2
105.04462	1.1
119.04928	7.3
119.08559	1.0
129.07024	2.1
131.08549	1.5
135.04366	1.3
137.05956	46.1
145.10112	1.6
147.04366	1.9
147.11681	1.2
155.08531	2.0
157.10086	1.3
159.08044	2.1
161.05975	1.5
163.07513	1.3
169.10103	1.9
171.07948	1.1
173.05956	1.8
175.07556	1.2
183.11641	3.9
187.07460	1.6
189.09146	3.5
191.06973	1.2
197.09602	1.3
197.13185	5.6
197.18961	1.9
199.07491	1.2
201.08971	1.4
203.10570	1.6
205.12207	1.2
213.09009	2.6
214.87973	1.1
215.10617	14.9
229.12234	1.9
231.10149	1.3
233.11690	100.0
234.12090	3.7
239.05205	5.2
240.05609	3.0
243.10083	1.4
267.13715	1.3
285.14935	2.5
287.12549	2.1
309.03589	1.7
310.03702	1.9
311.16309	6.8
329.17432	42.3
330.17807	1.6
347.18420	2.8
372.25259	2.7
404.24164	1.3
405.63229	1.0
494.28748	2.0
526.09973	2.4
526.28400	17.1
553.30231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88754	0.5
55.05487	0.7
56.04776	0.7
56.05030	10.8
57.03408	0.7
58.06596	9.5
59.04973	0.6
65.03914	1.1
67.05501	1.5
69.03418	1.1
69.07040	0.9
70.06574	1.4
71.04987	1.3
72.08131	1.5
79.05449	1.1
80.04996	0.5
81.07037	1.7
82.06564	0.7
84.08121	1.0
85.02895	1.8
85.06534	1.1
85.79478	0.5
86.09692	1.2
87.04459	1.1
91.05470	1.7
93.03395	2.2
93.07006	1.1
95.08604	1.3
97.02847	1.1
97.06531	0.8
98.09718	0.7
105.07018	1.3
108.08121	5.1
109.02891	0.9
109.10149	0.9
110.09677	0.8
115.03912	0.9
115.05415	0.7
119.08533	0.7
121.06445	0.6
121.10128	0.9
122.09657	1.2
124.11214	0.6
125.05957	2.0
128.06184	1.3
129.07004	2.3
131.08542	1.1
133.04968	0.5
134.09625	0.6
137.05957	0.8
141.06956	1.7
143.08549	1.8
148.11180	0.6
153.06969	0.8
155.08522	2.3
157.06438	1.1
157.10048	0.8
159.08040	0.7
165.06996	1.6
166.07646	1.0
167.08551	1.3
169.06450	1.1
169.10085	1.5
178.07840	1.4
179.07185	0.6
179.08527	3.1
181.06439	0.5
181.10095	1.5
183.08083	0.6
185.11765	0.7
186.12643	0.5
191.08516	1.0
192.09238	0.8
193.10158	2.5
195.08041	1.0
195.11667	1.1
196.20564	1.7
197.09578	1.5
197.15373	3.2
198.12852	0.6
199.13226	0.7
202.07735	0.6
203.08607	1.3
204.09325	0.9
205.10153	1.3
207.11639	2.1
214.21640	0.7
217.10097	1.3
219.11668	0.9
221.09537	1.4
223.11182	0.5
225.14865	0.6
232.22665	2.0
233.09607	1.0
235.11131	1.1
237.09102	0.6
265.12225	0.9
281.11578	1.1
312.19342	0.7
344.22284	0.7
374.61417	0.5
388.20929	1.3
390.22491	1.2
394.27936	1.3
401.88516	0.5
404.24179	0.9
414.22678	0.8
416.20477	1.5
420.23859	2.8
434.21588	1.7
441.74908	0.6
446.25299	2.0
448.23233	16.1
449.23474	0.8
452.22879	0.7
462.24777	6.6
466.24188	11.4
476.22775	2.1
480.26028	0.8
508.25345	28.2
509.25629	2.0
526.26312	100.0
527.26538	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	526.3006
Annotation	Protoverine
Peak:m/z	Relative Intensity
50.11484	0.4
53.39552	0.3
54.53275	0.4
55.01850	0.4
56.05036	1.9
58.06592	6.9
61.02910	0.8
67.05480	0.6
68.05003	0.5
69.03419	1.1
71.04984	1.1
75.04449	0.5
79.05482	1.5
81.03411	0.7
81.07040	0.8
84.08128	0.9
85.02896	1.4
86.09710	0.4
86.99041	0.4
91.05458	2.1
93.03374	0.5
93.07038	0.9
95.04955	1.1
95.08584	0.4
96.38212	0.4
97.02869	0.5
98.09636	0.5
102.09152	1.0
103.05486	0.4
105.00086	0.6
105.07017	1.7
107.04932	6.3
107.08601	0.8
108.08096	3.6
109.02875	1.1
109.06516	0.8
111.04416	0.5
112.07582	0.4
115.05444	0.8
117.06988	0.9
119.04969	0.5
120.08118	0.6
121.06512	0.7
121.08842	0.5
121.10142	3.6
122.09658	1.4
123.04391	1.9
123.11711	0.7
125.05968	0.5
127.03889	0.7
128.06186	1.4
128.10750	0.5
129.07004	3.3
131.04959	0.4
131.08563	1.6
137.05923	0.5
138.09157	0.4
139.03914	0.4
140.75842	0.4
141.06978	1.3
142.63049	0.3
143.08549	1.7
145.04967	0.4
145.10110	0.7
147.08028	0.4
149.09637	1.0
151.03864	0.4
152.10695	2.1
154.12257	0.8
155.08531	1.0
157.06516	0.7
158.07251	0.4
158.09625	0.8
159.08046	0.7
159.59668	0.4
160.11198	1.1
161.09633	0.8
165.07002	0.8
166.07764	0.6
167.08543	1.0
167.10645	1.4
169.06424	0.4
169.10054	0.5
171.08031	1.0
172.11240	1.5
173.09610	0.6
173.11879	0.5
178.07771	0.5
179.08554	0.8
183.08080	0.5
184.11298	1.0
185.09821	0.4
185.11902	0.9
186.12779	1.6
189.09158	0.4
191.08592	0.8
192.45053	0.4
193.10147	1.2
195.08069	0.6
197.09627	0.6
202.07838	0.4
203.08513	0.8
205.10133	0.9
207.11794	0.6
209.09529	0.4
212.10712	0.7
214.12254	0.7
216.13809	0.7
217.10181	1.0
218.15366	0.9
218.98582	0.4
221.09552	0.5
229.10062	0.6
233.09654	0.4
235.11018	0.4
249.12637	0.5
265.12143	0.5
277.12143	0.5
306.09555	0.4
307.12924	0.4
320.16257	0.8
340.19034	0.7
344.18326	0.5
352.18991	1.1
360.50696	0.5
384.21631	1.1
388.21091	1.2
402.22641	2.0
420.23688	6.6
425.37225	0.5
434.25372	6.0
438.24695	1.1
466.27719	1.8
476.26331	1.2
494.26938	0.8
508.29031	8.2
526.30029	100.0
527.30353	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	526.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.5
55.01848	0.3
55.05473	0.3
56.05020	1.2
57.03386	0.7
58.06592	8.0
59.04941	0.8
67.05494	1.4
69.03381	0.5
69.07036	0.5
70.06586	2.6
71.04982	4.3
72.08141	1.3
73.02866	0.5
75.04430	0.4
77.03851	0.5
79.05479	2.3
81.03371	0.4
81.06994	1.0
83.04929	0.5
84.08075	0.7
85.02885	5.0
87.04414	0.3
91.05468	3.4
91.64716	0.2
94.06528	0.3
95.04959	2.2
95.08548	0.5
96.08134	0.3
97.02834	0.7
97.06505	2.1
98.09665	1.7
99.04353	0.3
102.09162	12.3
103.03894	0.3
103.05424	0.5
105.03377	9.5
105.04458	0.8
105.07018	2.2
107.04877	1.1
107.08540	0.5
108.07487	0.2
108.08098	2.8
109.06439	0.5
109.10071	0.3
110.09644	0.4
111.04344	0.3
115.05382	0.5
117.07014	1.9
119.04920	0.3
119.08521	0.8
121.06432	0.6
121.08848	0.4
121.87182	0.2
122.09653	1.4
123.08012	0.4
124.11173	0.5
127.03859	0.5
128.06151	1.1
128.10640	0.8
129.04637	0.3
129.05478	2.3
129.06956	2.4
131.04773	0.3
131.07794	0.2
131.08527	2.3
131.45427	0.2
133.06430	0.6
133.10083	0.6
134.09593	0.6
135.07977	1.1
135.10376	0.3
137.05890	0.9
138.09081	0.5
141.06972	1.5
142.07721	0.4
143.08505	2.1
145.02809	0.5
145.04881	0.3
145.06467	0.4
145.10057	1.1
145.11082	0.3
146.09587	0.5
147.06454	1.0
147.07970	0.7
148.07515	0.3
148.11131	0.4
149.05890	0.3
152.10634	0.6
153.06918	0.7
154.07695	0.5
154.12210	0.5
155.08511	2.0
157.06445	0.3
157.10075	1.0
158.09590	0.5
159.08012	0.3
159.11575	0.4
160.11133	0.7
161.09544	0.3
162.12807	0.3
165.06943	1.1
165.11481	0.4
166.07709	0.5
167.08531	1.8
168.09245	0.3
169.10126	1.2
171.07974	0.6
171.11601	0.5
172.11168	0.9
173.05917	0.3
174.09018	0.4
175.11136	0.3
176.10645	0.4
177.05408	1.1
178.07758	0.5
179.08522	1.4
181.10033	1.4
183.08051	1.1
183.11621	0.8
185.09596	0.5
186.12752	0.5
188.10608	0.5
190.12219	0.3
191.08507	0.8
192.09253	0.6
193.10101	1.5
194.10876	0.4
195.07961	0.4
195.11670	1.2
197.04134	0.3
197.09637	0.8
197.13257	0.5
198.12766	0.3
199.11169	0.3
203.08623	0.3
204.09270	0.6
205.10103	0.6
206.10947	0.3
207.11610	1.1
209.09488	0.3
209.13275	0.6
211.10983	0.3
214.12318	0.3
215.10651	1.9
217.10086	0.3
219.11659	0.6
221.09541	0.3
221.13228	0.5
225.12593	0.3
226.15936	0.3
230.11081	0.3
233.11435	1.6
235.11140	0.3
235.14900	0.4
238.15749	0.3
251.14197	0.7
251.16641	0.3
252.17340	0.3
262.15881	0.4
263.14319	0.5
265.15665	0.5
267.10211	0.3
272.45352	0.2
279.17410	0.3
280.16840	0.5
283.16873	0.5
284.16495	0.3
284.19980	0.3
285.95041	0.3
294.18466	0.3
308.20010	1.5
311.16254	0.5
312.19397	1.3
314.21216	0.3
326.21051	0.4
327.21826	0.3
329.17252	0.4
340.22644	19.6
341.23019	0.8
344.22137	12.8
372.25259	47.6
373.25534	1.9
382.33646	0.3
404.27887	28.7
405.28192	1.3
494.29114	1.7
526.24652	5.1
526.31549	100.0
527.24896	0.6
527.31934	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	526.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01863	0.6
55.05502	0.7
56.05028	2.1
57.03438	1.1
57.04144	0.4
58.06594	13.7
61.02918	1.1
66.91171	0.5
67.05498	1.7
69.03424	2.0
69.07056	0.9
70.06580	1.0
70.94136	0.6
71.04976	1.2
71.87444	0.5
72.08136	3.7
73.02911	4.2
77.03941	0.9
79.05485	2.6
80.64280	0.4
81.07062	1.2
84.08147	1.3
85.02907	5.5
85.06564	0.5
91.05471	3.2
93.07039	1.6
95.04951	4.6
97.02877	3.0
97.06530	2.6
98.09680	5.8
102.09187	3.6
103.05527	0.9
105.03380	28.6
105.04524	2.1
105.07014	1.8
107.04994	0.9
108.08110	3.5
109.02859	0.7
109.06497	1.4
115.03932	2.0
115.05456	0.6
117.07023	1.2
119.08556	0.5
121.06485	0.7
122.09697	1.2
124.11230	0.7
124.93172	0.5
127.03925	1.6
129.06979	2.5
131.08577	1.8
133.04984	2.0
133.06467	0.5
134.09613	0.6
135.08049	0.5
137.05978	1.4
141.07008	1.8
143.08534	2.4
145.04979	1.4
145.10158	1.1
152.10678	0.7
153.01782	0.9
154.12271	1.6
155.08524	1.5
157.10123	0.8
163.06009	0.6
165.07025	1.1
167.08594	1.3
169.10155	1.2
169.31172	0.5
171.11821	0.7
173.09572	0.7
178.07619	0.6
179.08553	1.4
181.10103	0.9
183.11714	1.0
188.14301	0.6
193.10124	1.2
195.11690	0.5
197.19160	0.7
203.08533	0.8
207.11743	0.7
209.13258	0.6
216.97134	0.5
219.11656	0.8
221.13097	0.5
233.11426	2.4
235.14851	1.1
247.14816	0.9
340.22693	2.9
344.22156	1.8
354.24240	0.8
367.86789	0.6
372.25259	9.0
404.28003	3.7
444.25177	0.8
462.26324	2.5
476.27985	0.9
490.04865	0.5
494.28983	18.0
495.29404	0.9
526.31628	100.0
527.31964	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	526.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
55.05500	9.9
56.05016	3.7
57.03429	8.6
57.07059	1.2
58.06594	10.3
59.04987	1.3
60.04504	4.6
60.90118	0.9
61.02934	1.5
61.35521	0.9
67.05480	9.2
69.03418	27.6
69.07054	5.3
70.06582	7.5
71.04961	1.4
71.46360	1.0
73.02898	3.6
75.04446	1.4
75.66092	0.9
79.05483	3.3
81.03391	2.6
81.07046	14.3
83.04980	1.2
83.08598	4.9
84.08147	1.1
85.02390	2.3
85.02890	25.0
86.06052	2.6
87.04462	14.2
88.07617	1.5
91.05496	1.6
93.07047	2.2
95.08602	12.2
96.01785	1.0
96.08130	1.7
97.02879	16.9
97.10141	3.2
98.09651	1.4
101.46163	1.1
105.03379	1.2
107.04955	2.3
108.08093	4.8
109.02873	2.0
109.06492	2.2
109.10152	8.8
110.09691	1.0
115.03915	11.0
121.10090	1.3
123.11703	3.4
124.07556	4.8
125.02325	1.4
127.03945	2.8
129.07005	2.0
133.04924	10.2
136.07635	1.7
138.09140	1.8
145.04996	1.5
146.05948	1.9
152.10655	1.3
158.09564	1.0
166.08707	2.2
169.10150	1.3
172.03862	2.9
179.08549	1.9
179.18025	1.3
183.07916	1.3
190.04984	4.0
193.10118	1.3
196.20581	40.8
197.20906	1.7
204.06494	2.6
207.13689	1.4
214.21620	28.5
232.22673	61.2
238.21603	4.7
248.09026	1.3
256.22668	3.5
274.23718	8.7
297.12186	1.5
325.11774	4.6
328.24759	1.8
340.24887	1.3
358.25864	2.1
364.26968	7.0
370.19937	1.6
376.26840	3.3
394.27911	33.1
434.25143	3.2
436.28845	3.1
462.24841	1.3
494.19592	1.9
494.27274	8.6
508.30524	1.9
526.30365	100.0
527.30542	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	526.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.6
69.19074	2.5
70.06580	100.0
71.06914	0.6
86.06022	0.7
86.09689	41.4
98.23432	0.8
105.03367	1.0
114.05519	0.5
145.60555	0.4
183.14894	23.7
191.04739	0.4
203.13847	4.1
211.14383	18.7
227.13879	3.0
234.07578	0.6
282.18237	0.5
300.19128	40.7
301.19696	0.7
324.19223	4.9
324.22763	0.6
404.24066	0.5
413.27521	1.9
526.28058	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	526.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.2
56.66469	2.1
57.03427	10.0
57.07079	2.3
59.11924	2.0
59.97620	2.0
67.05160	4.2
67.05496	70.1
69.07045	9.6
69.10715	9.6
69.11117	4.5
69.42035	2.0
79.05467	4.5
79.46449	2.3
81.07043	33.2
83.08609	8.1
89.06022	6.6
91.05463	5.4
93.07024	7.7
95.08594	14.8
98.07744	2.0
98.40842	2.5
109.10142	44.5
109.10867	3.0
119.08557	6.2
133.08549	9.4
173.11690	20.0
186.68097	2.5
229.14317	100.0
263.23672	4.1
327.20227	2.5
336.47931	2.5
337.27319	77.1
491.37167	40.1
492.37613	3.3
533.57727	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	526.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.4
57.07067	62.6
60.65453	0.8
64.82932	0.8
67.05470	1.8
69.07057	8.0
71.08620	49.1
71.41906	0.8
73.06544	4.0
76.72929	0.8
79.05462	1.3
81.03455	1.1
81.07027	1.8
83.08624	3.1
85.10168	32.1
87.04463	4.1
89.06016	100.0
91.05460	1.5
93.06998	1.3
95.08618	1.9
97.10169	3.6
99.11707	7.8
107.07080	3.0
109.10120	1.0
111.11712	4.0
113.13277	6.5
117.09135	2.6
119.08570	1.7
125.13268	2.4
127.14827	3.7
130.08664	1.0
131.07053	1.2
133.08582	64.7
166.32784	0.9
177.11195	27.2
183.21083	1.5
208.89090	0.9
221.13766	4.9
227.23743	2.3
239.14877	4.0
241.42485	0.9
246.08099	0.9
271.26349	4.5
283.17554	4.7
315.29019	4.5
327.20044	21.4
400.36032	0.9
465.37817	1.3
490.27481	0.9
509.40424	16.1
510.40997	1.1
518.70154	1.3
526.42255	1.7
527.37201	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	527.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
65.03931	0.4
67.05492	1.7
69.07050	0.5
79.05482	2.0
81.03387	1.1
81.07047	2.4
83.08593	0.7
84.35947	0.3
91.05477	1.3
93.07066	1.4
95.04932	0.9
95.08589	1.2
97.10178	0.6
98.23643	0.4
105.07006	1.2
107.04884	0.3
107.08558	1.0
109.06541	0.4
109.10137	0.5
112.29989	0.3
117.07024	0.5
119.08569	1.2
119.91553	0.3
121.10138	0.6
129.06976	0.6
131.08546	0.8
133.10088	0.8
143.08549	0.5
145.10086	1.0
149.09613	0.4
149.13213	0.4
155.08476	0.5
157.10056	0.7
159.11620	0.6
169.10141	0.6
173.13269	0.5
183.11674	0.5
185.04247	0.7
185.13271	0.4
193.12161	0.5
197.13220	0.4
198.97403	1.8
199.14684	0.4
203.05324	0.9
259.08017	0.4
403.23126	0.3
435.32471	0.5
458.31784	0.3
527.31726	100.0
528.32043	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	528.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02385	0.6
53.03931	0.9
55.01868	0.3
55.05510	0.2
56.05027	1.6
58.06592	11.6
59.05003	0.5
61.02936	0.2
65.03941	0.2
67.05500	0.9
68.05022	1.0
69.03439	0.2
70.06583	0.4
71.04961	1.0
72.08147	2.7
77.03908	1.4
79.05480	1.3
80.05011	0.3
81.03401	0.3
81.07064	0.4
82.06570	0.5
84.08126	3.3
85.02906	0.7
85.06535	0.3
86.06067	0.3
86.09677	0.8
88.07610	0.8
91.05461	3.0
93.07034	1.2
94.06541	0.4
95.04956	5.9
96.08114	2.0
98.09663	0.4
102.09140	0.3
103.05450	0.6
105.03376	37.4
105.04387	2.3
105.07015	1.8
106.03712	0.5
107.04942	1.2
107.08561	0.3
108.08100	2.6
109.06513	0.6
109.08887	0.2
110.05997	0.4
110.09644	1.3
111.08065	0.1
112.07588	0.3
114.09098	0.3
115.05444	0.8
116.06184	0.2
117.07001	2.4
118.06475	0.1
119.04904	0.7
119.08588	0.9
120.08114	0.2
121.06473	0.8
122.09653	1.3
123.04427	0.2
123.08075	0.3
124.11191	0.3
125.05951	0.2
126.09108	0.2
128.06171	0.9
128.07056	0.6
129.06998	2.5
130.07791	0.2
131.04926	0.2
131.08548	1.8
132.13080	0.1
133.06439	0.5
133.10129	0.2
134.09644	0.7
135.08023	0.8
136.07576	0.9
136.11150	0.2
137.05972	0.6
138.09158	0.7
140.07010	0.7
140.10663	0.5
141.06953	1.6
142.07715	0.4
143.08540	1.7
144.08049	0.2
145.06499	0.8
145.10127	0.6
146.09605	0.4
147.08003	0.6
147.10400	0.2
148.11162	0.5
151.07483	0.3
152.07101	1.0
152.10707	0.3
153.06932	0.8
154.08621	7.7
155.08475	1.7
155.09573	0.2
156.10114	0.5
157.06422	0.5
157.10069	1.1
158.09610	0.4
159.07985	0.5
159.10381	0.2
160.11105	0.4
161.05972	0.3
161.09538	0.4
162.12746	0.2
163.07497	0.5
164.10663	0.5
165.06990	1.0
166.07730	0.6
167.07198	0.2
167.08543	1.8
168.09306	0.2
169.06442	0.3
169.08801	0.2
169.10127	1.3
171.08006	0.6
171.10291	0.2
172.11171	0.9
173.09523	0.4
173.11943	0.4
174.12737	0.9
175.07391	0.2
176.10565	0.2
177.09048	0.2
178.07684	0.6
179.08545	1.7
180.09204	0.3
181.10107	1.5
183.07976	0.5
183.10248	0.2
183.11736	0.7
184.11159	0.4
185.09521	0.5
185.11909	0.2
186.12648	0.6
187.07437	0.2
188.10588	0.2
190.12212	0.3
191.08447	0.6
192.09247	0.5
193.10066	1.3
195.07941	0.3
195.11681	1.0
197.09721	0.7
197.11284	0.1
198.12666	0.5
199.07422	0.2
199.11017	0.4
200.14359	1.0
201.15007	0.2
202.07692	0.2
202.12090	0.1
203.08481	0.7
204.09247	0.5
205.10136	0.9
206.11192	0.3
207.07918	0.3
207.11710	1.0
209.09685	0.7
209.13240	0.4
210.12686	0.3
211.11148	0.8
211.12958	0.2
212.14264	0.2
213.09000	0.2
213.12677	0.2
215.08495	0.2
216.09204	0.2
217.09995	0.4
218.10861	0.3
219.08020	0.2
219.11624	0.5
221.09610	0.2
221.13290	0.7
223.11029	0.4
223.14893	0.3
224.14159	0.2
225.12703	0.3
226.12251	0.2
227.10547	0.3
228.13692	0.3
229.09814	0.2
231.11635	0.3
233.13194	0.4
234.10341	0.2
235.11032	0.4
235.13202	0.2
236.12447	0.4
236.14525	0.2
237.09070	0.3
237.12613	0.3
238.15759	0.4
239.10567	0.4
239.14175	0.3
244.13007	0.1
245.13792	0.1
246.14702	0.2
249.12637	1.0
250.12454	0.2
250.15765	0.4
251.14095	0.5
253.12218	0.2
255.09941	0.3
263.13977	0.3
264.13632	0.2
264.17346	0.3
265.12042	0.2
265.15726	0.2
266.15262	0.2
266.18893	0.3
267.13577	0.4
268.16754	0.3
269.11505	0.2
274.15875	0.2
276.17316	0.3
281.15112	0.3
285.10989	0.3
292.16907	0.7
294.18442	0.8
296.16138	0.4
296.19702	0.2
299.12473	0.2
306.18155	0.2
308.19858	0.4
310.17813	0.8
312.15625	0.5
312.19025	0.4
316.18646	0.2
320.16336	0.2
324.16122	0.1
324.19504	1.5
326.21005	0.9
328.15506	0.1
328.19058	1.2
338.17130	0.9
338.20993	0.3
342.16675	0.2
342.20551	1.0
344.21918	0.3
352.19034	1.0
356.22150	4.4
357.22263	0.2
358.23520	0.2
360.21619	3.4
370.19937	1.3
370.23898	0.2
374.23312	0.9
388.24847	15.4
389.24643	0.6
406.25818	14.1
407.26022	0.8
416.22064	0.2
430.23117	0.2
432.21429	0.2
446.23178	0.8
448.24197	0.3
460.21149	0.9
474.22589	0.7
478.21606	0.4
492.23804	2.9
510.24615	8.0
511.24203	0.5
528.25214	100.0
529.25623	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	528.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03940	1.1
55.01872	0.6
56.05041	2.0
58.06593	14.3
59.04993	0.5
65.03890	0.5
67.05510	1.1
68.05016	1.0
69.03404	0.5
69.25404	1.9
71.04977	1.5
72.08142	4.0
77.03917	1.9
79.05475	2.4
81.03407	0.8
81.07053	1.0
82.06568	0.6
84.08133	3.8
85.06532	0.5
86.06071	0.5
86.09701	1.1
88.07603	1.8
89.31242	0.3
91.05479	5.3
93.07035	2.2
94.06564	0.5
95.04960	6.7
96.08131	2.6
98.09669	1.1
103.05471	0.7
105.03378	45.3
105.04519	2.5
105.07007	3.2
106.03738	0.6
107.04949	1.6
107.08584	0.5
108.08093	4.5
109.06511	1.3
110.06009	0.5
110.09666	2.1
114.09161	0.5
115.05451	1.1
117.07004	3.7
119.04934	0.6
119.08559	0.6
121.06503	1.6
122.09650	2.5
124.11234	0.4
126.09145	0.7
128.06239	1.2
128.07066	0.6
129.06981	4.0
131.04956	0.4
131.08542	3.0
133.06467	1.1
134.09598	0.9
135.08054	1.1
136.07600	1.0
137.06023	0.6
138.09167	1.3
140.07039	1.0
140.10657	1.1
141.06987	2.3
141.07893	0.4
142.07733	0.7
143.08554	2.1
144.08093	0.4
145.06456	1.2
145.10126	0.7
146.09622	0.6
147.08041	0.9
148.11243	0.7
149.09596	0.5
151.07664	0.4
152.07089	1.7
153.07034	1.3
154.08621	8.2
154.12292	0.4
155.08519	3.5
156.10188	0.8
157.06476	0.7
157.10133	1.7
158.09625	0.6
159.08101	0.9
160.11165	0.8
161.09712	0.5
161.20413	0.4
163.07556	0.4
164.10762	0.9
165.06967	1.9
166.07777	1.0
167.08516	3.2
168.09373	0.6
169.06310	0.4
169.10080	1.8
171.08003	0.9
172.11194	1.1
173.09641	0.7
174.09142	0.4
174.12775	1.3
176.10780	0.5
178.07761	1.5
179.08505	3.2
181.10043	2.0
183.08029	0.8
183.11736	0.7
184.11307	0.8
185.09642	1.3
186.12856	0.5
190.07706	0.7
191.08572	1.3
192.09224	0.7
193.10115	2.5
194.07132	0.4
195.08009	0.6
195.11647	1.5
197.09587	0.6
197.13406	0.4
198.12778	0.8
199.11166	0.7
200.14365	1.4
202.07799	0.5
203.08609	1.1
204.09326	0.9
205.10103	1.6
206.10747	0.6
207.11716	1.9
209.09660	0.8
209.13249	0.7
211.11159	1.1
212.14328	0.4
217.10170	0.5
218.11241	0.5
219.11742	0.9
221.09520	0.8
221.13232	1.0
225.12683	0.6
231.11824	0.7
233.13171	0.6
235.11215	0.7
237.09013	0.6
237.12764	0.6
239.10623	0.6
239.14209	0.5
242.15164	0.6
244.13312	0.6
249.12675	1.4
250.16063	0.7
251.14304	0.7
261.08722	0.4
261.12726	0.4
264.17596	0.5
265.15701	0.6
266.15588	0.7
266.18826	0.6
267.13696	0.7
268.16885	0.5
276.17368	0.5
281.15219	0.5
292.16922	1.6
294.18570	1.7
296.16446	0.8
296.19748	0.5
308.20001	0.6
310.17813	1.5
312.19733	0.5
324.19635	3.0
326.21140	1.1
328.19037	2.6
330.20456	0.5
338.17416	1.0
342.20557	1.6
352.18958	1.1
356.22183	8.2
358.23911	0.5
360.21609	8.0
370.19934	1.0
370.24069	0.9
374.23306	2.1
388.24783	37.9
389.24936	1.5
406.25797	37.2
407.26205	1.9
446.23312	0.9
460.20633	0.7
474.22467	1.1
492.23633	3.9
510.24582	8.6
528.26019	100.0
529.26422	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	528.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93103	0.4
56.00149	0.4
58.06606	0.5
58.23816	0.4
60.30746	0.4
69.49881	1.4
70.06612	0.4
71.04975	0.6
71.63763	0.4
74.06051	0.4
75.04472	1.3
79.05484	1.1
81.03399	0.7
82.06586	0.4
84.08104	0.5
84.65552	0.4
85.02901	1.7
85.06493	0.4
87.04446	0.6
88.07660	0.6
91.05467	0.7
94.06541	1.5
95.04981	0.8
97.92751	0.4
99.04525	0.4
105.06998	0.9
107.07331	0.6
108.08101	1.0
111.08042	0.4
117.06986	0.4
121.06499	0.7
123.04411	0.4
123.26832	0.4
124.07528	0.4
125.02350	2.1
128.06277	0.8
129.06996	1.5
131.08545	1.0
133.98265	0.4
135.07997	0.5
138.09126	2.1
139.03902	0.5
141.06982	0.9
143.08522	0.8
144.08096	0.9
145.06491	0.7
147.07968	0.4
153.06996	0.9
154.07768	0.4
155.08540	1.4
158.07336	0.5
158.09659	0.9
159.07985	0.7
161.09534	0.5
165.07025	1.0
166.07771	0.6
167.08582	1.7
169.08760	0.5
170.09560	0.9
171.08099	1.0
171.10365	0.6
178.07796	0.7
179.08600	1.8
181.10205	0.7
182.09590	0.5
184.11314	0.5
185.09604	1.0
190.07829	0.7
191.08533	0.7
192.09325	0.5
193.10126	0.8
195.08070	1.1
196.11237	0.5
198.12817	0.8
199.07582	0.6
202.12283	0.9
203.08611	0.8
205.10118	1.4
207.08022	0.6
209.09717	0.7
215.08647	0.5
217.10147	0.8
219.08049	0.5
221.09726	0.7
223.11096	0.6
233.09578	1.4
235.11244	0.6
237.12723	0.5
251.10846	0.7
354.17072	0.5
359.63782	0.4
360.18069	0.8
372.17993	1.4
374.19910	0.5
378.19107	1.0
386.19125	0.6
404.20599	4.7
436.23288	16.0
437.23438	0.8
468.25861	5.9
528.27979	100.0
529.28430	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	528.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
56.05048	0.8
58.06589	3.7
67.05491	0.6
69.03401	0.5
69.18391	1.7
69.18791	0.8
70.06589	0.7
71.04956	0.4
72.08119	0.4
75.04474	0.9
79.05461	0.9
80.08956	0.4
81.03371	0.4
81.07067	0.4
85.02884	1.1
87.04499	0.6
91.05483	1.5
94.06540	0.5
95.04956	1.0
97.02863	0.5
97.06480	0.6
103.05496	0.5
105.07021	1.3
107.04932	0.6
108.08125	1.0
109.06509	0.8
110.09688	0.4
121.06506	0.8
122.09650	1.1
123.04389	0.7
125.02307	0.4
125.05968	0.4
129.06996	1.7
131.08537	1.1
137.05943	1.3
138.09138	0.9
140.10710	0.7
141.07019	1.0
143.08568	0.9
145.06444	0.7
147.04414	0.6
149.05963	0.5
152.10641	0.5
153.06987	0.7
155.08505	1.0
159.08084	0.9
160.11276	0.6
165.06969	1.0
167.08585	1.1
169.06503	0.4
169.10147	0.8
170.09648	1.0
172.11264	0.9
173.09615	0.6
178.07732	0.7
179.08522	1.2
181.10156	0.7
183.08076	0.5
184.11319	0.7
186.12718	0.6
187.07501	0.5
190.07661	0.7
191.08545	1.0
192.09364	0.5
193.10149	1.0
194.07253	0.4
195.08089	0.9
197.09686	0.8
202.07755	0.6
202.12308	0.6
203.08604	0.4
204.09505	0.5
205.10165	0.9
207.08028	0.7
207.11726	0.6
209.09599	0.8
216.13760	2.4
217.10173	0.6
218.07271	0.4
218.15369	0.6
221.09512	0.8
223.11081	0.7
225.08975	0.6
228.13773	0.4
233.09706	0.9
235.11079	0.7
237.09042	0.5
237.12703	0.4
249.09048	0.5
251.10727	0.9
261.17139	0.5
265.12076	0.6
267.09879	0.5
279.10178	0.5
318.17703	0.4
318.57166	0.4
332.18640	0.7
336.15878	0.5
354.17252	0.9
358.20520	0.4
360.18121	0.9
367.33282	0.5
368.18594	0.9
372.17914	0.5
372.21817	0.9
376.21133	0.8
386.19641	1.0
390.22733	1.7
392.20453	0.6
400.21280	0.5
404.20731	1.3
408.23813	5.5
418.22293	1.6
432.23752	2.4
436.23398	5.6
450.24838	3.8
468.25867	22.6
469.26132	1.1
528.27954	100.0
529.28290	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	528.2949
Annotation	Pentagyline
Peak:m/z	Relative Intensity
53.03938	0.5
56.05030	1.1
58.06595	10.4
63.43903	0.3
67.05470	0.6
68.05045	0.4
68.31765	0.3
69.23441	0.6
69.23852	1.5
71.04994	1.7
72.08154	3.1
77.03920	0.7
77.38100	0.3
79.05486	2.5
81.03405	0.7
81.07050	1.1
81.23786	0.3
84.08142	1.5
88.07622	1.0
91.05471	5.0
93.07037	2.0
94.06582	0.7
95.04961	3.6
96.08118	1.3
97.84142	0.3
98.09692	0.6
102.09157	0.4
105.03381	17.3
105.04519	0.9
105.07016	3.1
107.04936	0.8
107.57458	0.3
108.08109	4.0
109.06515	0.9
110.09679	1.2
115.05439	1.0
117.07008	3.3
119.04945	0.6
119.08562	0.8
121.06450	1.6
121.08899	0.4
122.09649	2.4
123.08038	0.4
124.11244	0.6
128.06229	1.4
129.06996	3.8
131.08551	2.7
133.06506	1.1
133.10104	0.5
134.09630	0.6
135.08066	0.9
136.07523	0.6
137.06084	0.4
138.09143	0.9
140.10655	0.6
141.07028	2.0
142.07787	0.4
143.08571	3.1
145.06509	0.8
145.10120	0.8
146.09595	0.6
147.08006	0.5
148.11177	0.9
151.07527	0.3
152.06998	0.4
152.10767	0.6
153.06921	0.7
154.08667	2.7
154.12250	1.5
155.08534	2.9
157.06488	0.7
157.10150	1.2
159.08089	0.9
159.10281	0.4
160.11203	0.9
161.09642	0.5
163.07590	0.4
164.10797	0.7
165.06970	1.0
166.07808	0.9
167.08565	2.5
169.10117	1.5
170.78233	0.3
171.08076	1.0
172.11215	0.8
173.09566	0.5
173.11975	0.5
174.12808	0.5
176.10707	0.8
178.07794	0.4
179.08551	2.1
181.10133	2.0
183.08083	0.9
183.11703	0.7
185.09618	0.8
186.12733	0.7
188.10703	0.4
190.07631	0.3
190.12285	0.5
191.08551	1.2
192.09346	0.8
193.10150	1.6
195.11696	1.5
197.09663	0.8
199.11249	0.4
200.14360	0.4
202.07788	0.4
203.08682	0.6
204.09406	1.0
205.10074	2.1
206.10979	0.4
207.07977	0.5
207.11623	1.6
209.09598	0.4
210.12779	0.3
211.11121	0.6
211.53720	0.4
212.14325	0.4
216.09207	0.5
217.10207	0.5
218.10866	0.5
219.11592	0.6
221.09773	0.3
221.13257	0.9
223.11249	0.7
223.14871	0.5
225.12732	0.4
228.13873	0.7
231.11714	0.4
232.78856	0.3
233.13142	0.5
235.11078	0.5
237.12624	0.4
238.15985	0.4
239.14294	0.4
242.15300	0.4
248.14267	0.4
249.12744	0.6
251.14304	0.8
256.17010	0.4
292.16803	0.6
296.16544	0.4
296.19974	0.4
298.18066	0.6
300.19412	0.5
310.17838	0.7
324.19510	1.9
326.21075	0.8
328.19019	3.7
328.22446	0.5
338.21182	0.8
342.20721	0.8
347.98911	0.3
356.22147	11.9
360.21591	4.7
360.25589	0.4
370.19708	0.5
370.23782	1.9
374.23190	1.4
388.24783	45.0
389.24997	2.4
406.25836	39.0
407.26096	2.2
472.10690	0.4
492.23309	0.9
510.24002	2.0
528.30145	100.0
529.30560	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.295
Annotation	Doramapimod
Peak:m/z	Relative Intensity
56.05030	1.4
58.06590	9.3
62.11134	0.5
69.63441	1.8
71.04987	0.9
72.08147	2.9
72.37208	0.5
76.19357	0.5
77.03922	1.2
84.08142	1.6
85.02885	0.8
86.09692	3.2
88.07592	0.8
91.05456	2.8
93.07041	0.7
95.04957	4.8
96.08096	0.5
97.69363	0.4
102.09165	1.4
105.03379	29.4
105.04521	1.6
105.07039	1.1
106.03687	0.6
107.04955	1.2
108.08094	4.8
115.05473	0.6
117.07013	1.7
119.08536	0.9
122.09664	2.2
123.08140	0.5
124.11211	1.9
128.06252	0.8
129.06993	2.5
131.08569	1.8
133.10132	0.5
137.05984	1.0
140.10707	1.0
141.07013	1.6
141.59525	0.5
143.08537	1.0
145.10129	0.5
145.65039	0.5
146.09595	0.6
152.10733	0.7
153.06895	0.7
154.12238	4.0
155.08557	2.2
156.69814	0.5
157.10178	0.6
159.07979	0.5
165.06970	1.0
166.07777	0.9
167.08572	1.9
169.10132	1.3
173.09358	0.5
179.08565	1.1
179.59717	0.5
180.99588	0.6
181.10164	0.8
183.03508	0.5
183.11722	0.6
191.08601	1.0
192.09352	0.6
193.10138	1.7
200.10384	0.5
200.14331	0.8
205.10152	0.7
207.11690	1.0
209.09474	0.5
211.11096	0.6
221.13220	1.2
233.13170	0.6
249.12776	0.7
251.14287	0.5
338.20837	0.8
356.22122	1.6
370.23581	1.0
388.24689	4.6
406.25742	3.3
460.24829	2.4
474.26425	0.7
478.25851	1.4
492.27286	3.3
510.28464	9.7
510.35773	0.9
528.29504	100.0
529.29877	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	528.2951
Annotation	Doramapimod
Peak:m/z	Relative Intensity
51.02369	0.4
53.03926	0.7
55.61538	0.4
56.05017	1.4
58.06590	7.8
67.05478	0.6
69.19805	2.7
71.04983	0.7
72.08138	2.9
79.05487	1.1
88.07600	0.6
91.05482	2.3
93.07010	0.9
95.04952	3.5
96.08121	1.0
98.09681	0.5
98.22758	0.8
102.09161	2.0
105.03381	28.6
105.04510	1.6
105.07016	1.4
107.04958	1.1
108.08095	5.0
110.09637	0.8
115.05480	0.5
117.07011	1.8
121.06490	0.7
122.09618	2.8
123.04456	0.7
124.11231	1.7
126.98525	0.4
128.06210	0.6
129.06950	2.5
131.08572	1.7
133.06557	0.5
138.09177	0.6
140.10716	1.2
141.06966	1.3
142.07747	0.6
143.08549	1.2
146.51242	0.5
154.12230	4.0
155.08560	2.1
157.10126	0.8
165.07076	0.6
167.08563	1.8
168.27719	0.5
169.06544	0.5
169.10182	1.3
172.11197	0.6
174.12758	0.6
178.07764	0.5
179.08521	1.2
181.10088	1.3
186.12737	0.6
191.08444	0.4
193.10155	0.5
197.09682	0.5
200.14337	1.2
205.10132	0.8
207.11646	0.6
212.14314	0.5
217.10056	0.6
225.52654	0.5
324.19553	0.9
356.22275	0.9
388.24799	0.9
406.25595	1.2
446.23254	1.7
460.24704	1.2
478.25806	4.5
496.27048	3.9
510.20975	0.6
510.28500	9.7
528.29498	100.0
529.29742	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	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
55.05503	6.8
57.03444	6.0
57.07062	12.9
59.04990	2.1
61.02921	6.6
68.55009	1.1
69.03419	10.4
69.07059	60.4
69.61988	1.1
70.48403	1.3
70.57746	2.6
71.01331	1.8
71.05001	5.9
71.08633	9.3
73.02908	22.4
73.03290	2.0
73.06544	9.3
81.03416	2.5
83.08610	2.5
85.02892	24.9
85.10184	4.6
89.05486	1.3
89.06017	31.9
97.02874	15.6
99.11668	1.8
105.03398	2.0
109.02870	3.0
111.11702	83.3
115.03918	12.3
127.03909	6.8
129.12743	100.0
133.04936	9.1
145.04947	7.0
163.05934	3.1
199.16904	20.7
217.17969	27.5
259.08212	1.4
274.57794	1.2
528.29669	7.4
543.04449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00999	1.0
55.05499	7.2
57.03439	5.5
57.07068	13.3
58.06588	1.5
59.04989	4.3
69.03421	17.9
69.07060	53.3
69.21362	7.0
70.06542	1.1
70.07385	1.1
71.04994	4.9
71.08618	9.6
73.02879	1.9
73.06545	10.4
83.08608	3.6
85.02885	15.0
85.10173	4.2
87.04460	11.4
89.06020	36.4
94.21299	1.0
97.02873	13.1
98.23429	2.5
111.11704	81.6
112.11990	2.1
115.03905	14.4
127.03899	1.3
127.68694	1.0
129.12740	100.0
130.13055	1.6
133.04956	11.6
145.04890	1.2
199.16896	19.3
199.92339	1.3
217.17970	27.1
345.40463	1.2
528.29382	6.6
544.74707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.8
55.01874	11.8
55.05504	29.2
57.03435	23.1
58.06610	4.3
59.05028	3.5
65.03938	3.6
67.05494	43.5
69.03412	4.9
69.07071	16.2
69.75438	11.4
71.04979	9.1
73.93083	3.1
79.05476	54.2
81.03404	72.2
81.07040	46.1
83.01344	10.0
83.04984	29.4
83.08607	34.9
85.02895	26.9
85.06521	4.0
91.05470	48.8
93.07029	44.7
95.04950	40.3
95.08603	14.3
97.02886	5.9
97.06523	6.7
97.10155	4.6
98.22723	5.1
99.04496	3.4
105.03379	4.8
105.04444	4.8
105.07011	36.6
107.04945	19.5
107.08580	22.5
109.06517	17.7
109.10120	5.0
111.04469	3.7
111.08083	13.3
117.07011	13.4
117.09380	3.7
119.08575	25.7
121.06499	7.3
121.10139	14.7
123.08051	12.9
129.07011	15.1
131.08553	18.6
133.10126	14.2
135.11685	11.4
137.09642	4.1
142.07742	5.9
145.10098	23.4
147.08038	5.8
147.11662	18.7
149.09610	8.1
157.10129	17.3
163.11162	31.9
173.09607	5.6
175.11179	18.4
191.10611	3.7
193.12199	50.1
209.11588	7.1
211.13254	100.0
227.12714	8.2
257.59677	3.3
267.15933	17.6
283.15353	97.5
285.16956	61.0
458.78430	3.2
475.26816	15.0
493.27893	81.1
494.28421	4.2
528.28687	20.4
529.30774	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	528.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98338	0.6
55.05499	2.9
57.07068	25.9
67.05501	1.5
69.07052	1.5
70.00561	1.1
70.06595	0.8
71.08622	25.2
73.06545	8.2
79.05480	1.4
80.73694	0.6
81.03400	1.2
81.07031	2.3
82.80603	0.7
83.08604	3.4
85.10172	26.8
87.04465	4.4
89.06019	100.0
91.05474	1.6
92.05826	0.7
93.07016	1.7
93.07935	0.6
95.08573	0.8
97.10141	0.8
99.11732	2.8
105.07007	0.8
107.07045	3.1
107.08552	0.7
117.06999	0.9
117.09119	5.2
119.08522	0.8
121.14921	0.7
122.05967	0.9
130.08607	1.3
131.07059	1.5
133.08589	49.8
135.11713	0.8
136.07573	0.9
141.16374	4.6
145.10080	0.8
147.11697	0.7
157.10141	0.9
161.11659	1.0
177.11203	19.2
185.18979	6.3
221.13824	3.0
221.28993	0.6
222.14929	1.1
229.21599	8.7
239.14899	1.5
273.24185	4.8
283.17542	2.1
327.20227	1.7
371.22656	5.1
410.69092	0.6
423.32773	1.0
467.35901	1.4
492.58020	0.7
511.38385	8.9
528.30176	1.5
528.38000	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40387	2.8
53.03938	5.7
55.01860	11.4
55.05511	22.1
56.87071	2.3
57.03432	14.7
61.02921	35.9
66.84326	2.6
67.05497	45.4
69.03420	19.7
69.07063	28.3
71.01376	2.4
71.04969	6.0
71.69042	2.4
73.02901	15.2
79.05485	39.0
81.03403	14.8
81.07048	100.0
83.04965	9.2
83.08606	15.6
85.02886	35.1
85.06503	3.5
87.04457	3.8
91.03941	15.3
91.05465	36.2
93.07036	31.9
95.04949	12.9
95.08585	28.3
97.02885	30.1
97.06518	10.8
97.10116	2.9
99.04466	5.2
99.08079	3.3
101.02370	9.2
103.03964	3.5
105.07015	33.9
107.04955	6.9
107.08578	23.6
109.02877	8.1
109.06516	23.9
109.10137	10.4
111.08085	4.6
115.03880	2.7
117.06990	8.1
119.08569	29.5
121.06480	5.6
121.10131	16.7
123.08046	9.4
123.11677	10.1
127.03902	15.8
129.06984	5.1
131.08543	9.5
133.10121	17.2
135.08098	3.9
135.11641	7.6
137.09573	5.6
141.06960	4.0
143.08531	4.5
145.04959	4.3
145.10120	12.7
147.11642	24.1
149.09607	8.3
149.13251	11.8
151.11148	3.5
157.10078	9.7
159.11729	6.1
161.13214	5.2
163.11180	12.8
165.12720	9.9
171.11598	2.7
173.13255	4.6
175.11168	5.1
177.12715	3.5
183.06477	4.6
183.11674	4.1
187.11186	2.9
201.07475	3.5
201.16324	3.4
215.18324	2.9
229.19429	3.0
239.17984	3.2
247.20586	3.8
257.18909	5.7
275.20023	67.8
280.42023	2.7
293.21036	20.1
349.23685	15.8
367.24802	54.8
379.75122	3.5
529.15961	8.0
529.29742	14.2
530.16193	3.4
542.80499	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
55.05497	8.3
57.03428	7.4
58.16127	2.4
60.09224	2.0
61.02921	4.9
67.05493	19.9
69.03415	4.3
69.07066	14.0
73.02948	2.4
79.05489	20.2
81.03419	7.5
81.07050	25.9
83.04977	6.9
83.08604	6.5
85.02874	3.4
91.05476	23.6
93.07033	24.3
95.04957	7.3
95.08613	13.8
96.80799	2.2
97.10172	4.3
103.05504	2.3
105.07001	22.0
107.04984	12.3
107.08576	12.9
109.06511	10.8
109.10155	8.5
117.07038	4.7
118.18534	2.3
119.08568	14.8
121.06483	7.1
121.10137	6.9
123.08080	5.1
129.06985	3.9
131.08562	17.1
133.06473	3.1
133.10121	12.0
135.08023	6.1
135.11705	4.9
143.08563	4.8
145.06509	2.7
145.10124	12.6
147.08040	6.2
147.11691	12.4
149.09615	8.3
149.13242	2.6
155.08516	2.6
157.10127	4.1
159.11684	7.9
161.09616	4.1
161.13266	3.6
163.11160	6.9
169.10086	4.1
171.11568	3.1
173.13249	6.2
175.11221	4.2
177.12762	3.5
187.11180	2.7
191.14288	3.9
199.14778	3.1
219.13878	3.0
245.15359	3.5
257.19000	7.6
275.20004	56.1
293.21149	9.3
349.23691	100.0
350.24146	5.7
367.24652	3.9
427.26990	3.4
529.32092	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	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.9
55.05500	14.6
57.03426	8.6
58.06559	3.6
67.05500	25.5
68.10179	3.0
69.07050	13.0
71.04980	3.6
79.05487	26.9
81.03394	11.0
81.07042	40.9
81.09956	3.4
83.04970	10.3
83.08584	9.0
85.02888	5.1
85.47221	3.4
91.05473	26.1
93.07026	26.6
95.04943	14.4
95.08585	19.5
96.62582	3.6
97.06548	4.8
97.10195	4.4
98.23435	12.5
105.07003	22.3
107.04928	12.3
107.08578	23.8
109.06498	21.8
109.10107	7.6
109.19650	3.2
114.80066	3.9
117.07003	9.6
119.08566	22.5
121.06483	12.8
121.10122	10.6
123.08057	5.5
127.03871	4.3
131.08519	15.9
133.06442	4.7
133.10124	15.8
135.08043	7.4
135.11639	3.8
137.09613	4.3
145.06445	4.3
145.10149	16.3
147.07936	7.3
147.11665	8.8
149.09628	8.4
157.10118	5.6
159.11690	8.0
161.09532	3.5
163.11218	6.2
165.09105	4.3
169.10100	3.8
173.09628	3.8
173.13239	6.5
187.11122	4.3
193.12218	4.3
220.86005	3.9
229.19629	5.2
257.18930	9.2
275.20010	82.7
293.21021	11.5
349.23672	100.0
367.16476	27.1
367.24908	18.9
529.21344	20.9
529.30963	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	529.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.2
56.87235	2.6
57.03428	5.7
59.31807	2.5
60.92328	2.3
61.02903	4.7
63.28707	2.9
63.42954	2.7
67.05495	16.8
69.03415	2.9
69.07062	13.4
69.18310	9.2
69.18717	7.5
73.02896	2.8
79.05478	11.7
79.89133	2.2
81.07038	22.0
83.04992	3.5
83.08578	4.4
85.02905	4.7
88.41000	2.9
91.03910	2.6
91.05476	18.3
93.07052	16.1
95.04932	6.8
95.08602	17.7
96.87451	2.8
105.07019	18.8
107.04942	4.0
107.08562	11.1
109.06496	6.5
109.10155	5.4
117.07006	6.4
119.08560	10.9
121.06483	7.3
121.10097	7.3
131.08546	13.2
133.10101	12.2
135.08008	3.5
135.11653	7.3
145.10130	7.7
147.11687	7.7
149.09612	4.6
151.11172	4.0
159.11652	4.9
163.11183	6.2
173.13188	3.5
207.13737	3.7
257.19116	6.2
275.20023	54.4
293.21054	6.4
349.19437	6.1
349.23654	100.0
350.24051	5.5
367.24567	6.5
404.16531	3.1
511.28949	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	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
53.21057	1.5
53.38399	2.1
55.01861	2.5
55.05503	14.8
55.77651	1.5
55.90041	1.6
57.03428	4.3
57.07084	1.9
63.33547	1.6
67.05496	43.2
69.07060	14.8
71.04983	2.9
71.08601	2.1
79.05486	27.4
81.07050	45.5
82.22242	1.6
83.04944	1.9
83.08593	9.3
87.04453	2.7
91.05464	24.6
93.06445	2.0
93.07035	40.2
95.04967	8.1
95.08588	22.0
97.06525	4.9
105.07021	15.9
107.08570	21.7
109.06498	2.2
109.10138	8.7
111.08083	3.4
117.07031	7.6
119.08556	12.2
121.10117	17.9
123.11690	4.1
128.06183	2.3
129.07021	4.9
131.08580	15.5
133.10092	14.1
135.11688	10.6
143.08562	5.7
145.10075	10.3
147.11717	3.0
149.13231	11.6
155.08607	3.1
155.26543	1.8
157.10097	4.6
159.11703	13.2
161.13289	4.3
169.10211	4.0
171.11699	5.5
173.13284	5.7
175.14912	3.8
176.77518	1.7
177.12770	2.5
181.10046	2.9
185.13298	4.1
187.14842	2.9
190.27296	1.7
195.13815	5.8
197.13226	2.3
199.14888	2.9
201.16449	2.0
256.26447	4.3
261.22214	4.2
381.68192	2.2
437.33969	12.4
511.37994	4.5
529.38861	100.0
530.39093	5.6
546.27173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29653	1.9
69.30062	1.0
70.06585	0.9
75.04469	0.9
79.17527	0.6
87.15112	0.5
91.05487	0.7
94.06567	1.2
105.07019	1.3
108.08141	1.0
117.07029	0.8
117.87037	0.5
123.04430	0.9
129.06998	1.6
131.08557	0.7
137.05998	1.1
138.09131	0.6
145.06500	1.1
158.09755	0.7
164.10648	0.7
165.06938	0.8
170.09499	0.7
178.07753	0.6
179.08585	1.5
181.10158	0.6
183.07986	0.9
190.07780	0.7
195.08055	0.8
197.09595	0.9
203.08533	0.8
205.10179	1.5
207.08131	1.5
209.09631	0.8
211.11205	0.7
213.21339	0.6
218.11763	1.0
221.09619	1.2
224.10648	0.7
225.09148	0.9
233.09686	0.6
237.08925	0.8
249.09070	0.8
253.08661	1.0
260.67850	0.6
267.10135	1.0
281.11670	0.6
300.16199	0.7
342.16989	0.8
360.18005	0.7
370.16367	0.8
374.19699	1.2
388.17657	0.6
392.20749	1.9
402.19012	3.0
410.21719	2.1
420.20279	2.5
434.21680	4.1
452.22717	4.7
470.23801	16.0
471.24237	0.9
494.23798	0.9
530.25897	100.0
531.26245	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	530.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61015	0.4
60.93531	0.4
65.03931	0.4
67.05524	0.7
69.42752	0.8
69.43143	0.9
70.06583	0.8
74.06063	0.4
75.04476	0.5
75.38404	0.3
81.03436	0.5
82.06567	0.7
85.02900	1.1
85.85214	0.4
91.05472	1.4
94.06574	1.2
95.04973	1.1
95.51488	0.3
97.02923	0.8
98.97587	0.6
100.07685	0.4
105.07070	0.9
108.08141	0.5
109.02843	0.7
111.04455	1.0
115.05469	0.6
117.07011	1.2
119.04965	0.5
120.08132	0.5
123.04426	1.0
124.07594	1.7
125.02359	0.8
125.06018	0.8
128.06250	1.1
129.06993	3.1
131.04895	0.4
131.08565	1.7
133.06509	0.6
137.78027	0.4
139.03857	0.9
141.06978	1.8
143.08582	1.1
144.08075	0.9
145.06523	0.8
145.08896	0.6
146.09663	1.0
149.02356	0.5
153.05449	0.6
153.06964	0.6
155.04927	0.6
155.08563	1.1
158.09604	1.9
159.08060	1.2
160.11182	0.8
162.09296	0.5
165.06955	0.9
167.08618	0.8
169.06480	0.7
169.09998	0.5
170.09665	0.8
171.08099	1.3
172.11237	0.7
173.06047	0.5
173.25833	0.4
178.07640	0.6
179.08589	1.3
181.10138	0.7
183.08023	0.6
184.11238	0.4
188.10707	1.1
191.08641	0.8
193.10199	1.1
195.08125	0.8
197.09715	0.5
198.09142	0.5
203.08623	0.7
205.10149	0.6
207.08066	0.9
209.09564	0.9
211.11264	0.7
214.12166	0.6
219.01834	0.5
219.08109	0.7
221.09604	1.0
224.10687	0.5
230.11894	0.5
231.08008	0.5
233.09589	0.5
237.02936	0.4
237.09279	0.5
238.12161	0.5
239.10640	0.6
249.09145	0.8
326.13934	0.4
338.17831	0.4
362.15924	0.6
370.16495	1.0
388.17435	1.1
397.38919	0.4
397.44531	0.5
406.18634	3.6
420.20221	0.7
438.21185	11.7
440.23248	0.5
452.22522	0.6
470.23611	3.5
480.22336	0.7
530.25934	100.0
531.26379	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	530.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07961	0.3
63.29969	0.3
67.62979	0.3
69.03423	0.3
69.61340	0.8
70.06584	0.7
71.04987	0.4
71.35857	0.4
74.06068	0.6
75.04457	0.4
79.05485	0.5
82.06571	0.7
85.02902	1.5
87.04451	0.6
88.85327	0.4
91.05475	1.3
94.06551	0.6
95.04971	1.1
97.02883	1.3
99.04431	0.4
102.75114	0.3
105.07034	0.5
107.07349	1.2
107.15448	0.3
108.08102	0.8
109.02871	0.5
109.06533	0.4
111.04433	0.6
111.28946	0.3
115.05462	0.4
117.07006	1.0
119.08582	0.4
121.02866	0.5
121.06505	0.5
123.04413	0.8
124.07607	0.6
125.02344	0.8
125.05979	1.0
126.42774	0.3
128.06244	0.8
129.07004	4.4
131.07318	0.7
131.08528	1.7
132.08081	0.4
134.09648	0.6
134.56203	0.3
139.03877	0.7
141.06993	1.6
143.08540	0.7
144.08066	1.3
145.06494	1.0
145.08859	1.0
146.09601	2.6
147.08057	0.6
149.02379	0.5
152.06226	0.4
153.05569	0.5
153.06975	0.7
155.04948	0.5
155.08557	1.4
157.06459	0.8
157.08858	0.4
158.09636	0.4
159.08060	1.0
161.09631	0.8
165.06975	0.7
167.08568	0.8
168.10188	0.5
169.06488	0.8
170.09621	1.5
171.08049	1.0
171.10484	0.6
172.11252	1.2
178.07764	1.0
179.08556	1.1
181.10176	0.6
183.06332	0.3
183.08015	0.7
185.09573	0.7
187.07504	0.6
188.10652	0.6
191.08511	0.9
192.09264	0.7
193.10146	0.7
195.07957	0.7
196.11288	0.4
197.09705	0.9
199.07741	0.4
200.10667	0.5
202.07690	0.4
202.12259	0.8
203.08635	0.8
207.08072	1.5
209.09567	1.0
212.10698	0.5
219.08047	0.4
221.09656	0.9
223.11185	0.5
230.11809	0.4
231.08038	0.6
235.07652	0.6
235.11143	0.5
237.09116	0.5
238.12383	0.4
239.10583	0.5
249.09137	0.8
250.12280	0.5
251.07207	0.4
270.49478	0.4
277.08511	0.4
286.14178	0.4
309.11279	0.4
310.14420	0.4
362.15958	1.2
370.16650	1.0
386.27261	0.3
388.17303	0.8
406.18674	3.4
420.20172	2.2
430.18335	0.7
438.21313	1.3
440.61063	0.4
448.19583	0.5
452.22757	0.6
470.24127	0.4
480.22281	7.6
481.22287	0.4
498.23029	2.0
512.24786	1.4
530.25903	100.0
531.26239	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	530.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28828	0.3
55.01883	0.4
58.06606	0.5
63.34077	0.3
65.03937	0.4
69.03408	0.6
69.67265	1.3
70.06571	0.5
71.14216	0.4
71.54915	0.3
73.95050	0.4
75.04475	0.9
79.05495	0.6
82.06566	0.6
83.04983	0.4
84.08150	0.5
85.02890	1.2
88.07639	0.7
91.05473	1.5
93.03388	0.6
94.06566	1.7
95.04961	0.9
97.02892	0.4
105.07018	0.7
107.04967	0.6
108.08147	0.6
109.06505	0.5
110.06042	0.4
111.04428	0.6
115.05435	0.9
117.07029	1.1
119.08587	0.4
121.02882	0.5
123.04414	1.4
125.02358	0.6
125.06007	1.0
128.06218	1.0
129.06969	2.3
131.04916	0.5
131.07246	0.4
131.08565	1.2
134.09698	0.5
137.06001	1.5
138.09149	1.8
139.03897	0.5
141.06990	1.6
141.88997	0.4
143.08563	1.2
144.08049	0.7
145.06467	1.3
145.08855	0.4
146.09637	1.1
148.07491	0.4
153.06998	0.9
155.08565	0.9
157.06438	0.8
157.08777	0.4
158.09624	1.0
159.08115	1.1
160.11302	0.5
161.09581	0.6
165.07051	1.0
166.07784	0.5
167.07019	1.0
167.08521	1.0
169.06480	0.9
169.49937	0.3
170.09593	2.1
171.08086	1.3
171.10431	0.6
172.11293	0.7
173.09683	0.7
174.09059	0.5
175.07571	0.4
176.10661	0.4
178.07755	0.6
179.08549	1.1
181.10181	0.4
182.09648	0.4
183.08041	0.5
184.07516	0.4
185.09605	0.6
186.09079	0.6
187.07503	0.5
188.10745	0.5
191.08589	1.0
193.10219	0.7
195.08011	0.8
196.11143	0.3
197.09612	0.9
198.09212	0.7
200.10703	0.9
202.12291	0.5
203.08705	0.4
204.13921	0.5
205.10184	0.5
207.08060	0.7
208.08737	0.5
209.09578	0.6
211.07516	0.6
211.11272	0.6
212.10783	0.6
213.09279	0.4
214.12315	0.6
219.08113	0.5
221.09695	1.1
225.08984	0.5
230.11736	0.4
233.09850	0.4
237.09174	0.4
239.10725	0.7
249.09183	0.6
261.09158	0.4
277.08716	0.6
278.11862	0.5
339.23203	0.4
352.15421	0.4
362.16168	0.6
370.16565	0.9
384.17993	0.4
388.17307	0.9
394.18457	0.5
402.19247	0.7
420.20035	4.7
420.25140	0.4
438.21225	3.2
452.12021	0.4
452.22800	10.4
470.23837	11.1
471.24258	0.5
530.25922	100.0
531.26428	5.4
534.96057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2746
Annotation	13-O-Acetyl-9-deoxyglanduline
Peak:m/z	Relative Intensity
53.03931	0.7
53.34618	0.3
55.01849	0.4
56.05013	1.0
58.06593	5.3
61.02922	0.8
61.25100	0.3
65.03941	0.3
66.53076	0.3
67.05491	0.8
68.04971	0.3
69.03439	0.4
70.06577	0.7
71.01352	0.5
71.04992	0.6
72.08144	1.1
77.03928	0.7
77.85249	0.3
79.05477	2.2
80.05011	0.9
81.07053	0.8
84.08128	2.0
85.02893	1.0
85.06532	0.3
86.09692	1.1
91.05464	2.7
93.03384	0.5
93.07029	0.9
94.06536	0.4
95.04962	2.5
96.08134	0.7
97.06521	0.4
105.02664	0.7
105.03376	13.6
105.04514	1.0
105.06975	1.6
107.04939	9.5
107.08590	0.4
108.08109	6.1
108.08822	0.5
109.06509	0.4
110.09674	0.5
112.07549	0.5
114.09206	0.4
115.05444	0.9
117.07000	1.4
119.08553	0.7
121.02835	0.8
121.06528	0.4
121.08871	1.1
121.10212	0.4
122.09657	3.6
124.11228	0.8
125.06004	0.8
126.09115	0.4
127.03851	0.4
128.06224	1.2
129.07005	2.9
131.04948	0.4
131.08565	2.1
133.05405	0.4
133.06432	0.6
133.10114	0.5
137.05940	0.5
138.09070	0.3
140.10654	0.6
141.06993	1.1
142.07750	0.4
143.08575	1.7
145.06464	0.7
145.10138	0.7
147.07932	0.4
149.05939	0.4
153.05441	0.3
153.07014	0.5
155.08542	1.5
157.06520	0.6
157.10088	0.3
158.09590	0.6
159.08073	1.0
160.11185	0.7
161.09677	0.3
165.07025	1.3
166.07741	0.5
167.08527	1.0
171.08049	0.5
172.11212	0.6
178.07764	0.5
179.08524	0.8
180.09271	0.4
181.10109	1.3
182.07346	0.4
183.11691	0.5
186.12782	0.8
188.14326	0.8
191.08609	0.6
192.09370	0.4
193.10107	1.1
195.11705	1.1
199.11023	0.4
203.08572	0.5
205.10127	0.8
207.06584	0.3
207.11696	0.5
209.09587	0.4
211.11197	0.6
219.11736	0.5
221.13403	0.3
223.11150	0.6
231.11642	0.6
235.11208	0.4
237.12785	0.4
239.10623	0.4
243.10005	0.4
247.11098	0.3
265.12326	0.5
267.13745	0.4
310.17841	0.8
322.18118	0.9
354.20547	1.5
372.21704	1.3
390.22641	2.7
444.21359	0.4
462.22482	0.5
476.24271	1.3
494.25308	5.1
512.26379	8.2
513.26947	0.6
530.27411	100.0
531.27820	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	530.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
53.34618	0.3
55.01849	0.4
56.05013	1.0
58.06593	5.3
61.02922	0.8
61.25100	0.3
65.03941	0.3
66.53076	0.3
67.05491	0.8
68.04971	0.3
69.03439	0.4
70.06577	0.7
71.01352	0.5
71.04992	0.6
72.08144	1.1
77.03928	0.7
77.85249	0.3
79.05477	2.2
80.05011	0.9
81.07053	0.8
84.08128	2.0
85.02893	1.0
85.06532	0.3
86.09692	1.1
91.05464	2.7
93.03384	0.5
93.07029	0.9
94.06536	0.4
95.04962	2.5
96.08134	0.7
97.06521	0.4
105.02664	0.7
105.03376	13.6
105.04514	1.0
105.06975	1.6
107.04939	9.5
107.08590	0.4
108.08109	6.1
108.08822	0.5
109.06509	0.4
110.09674	0.5
112.07549	0.5
114.09206	0.4
115.05444	0.9
117.07000	1.4
119.08553	0.7
121.02835	0.8
121.06528	0.4
121.08871	1.1
121.10212	0.4
122.09657	3.6
124.11228	0.8
125.06004	0.8
126.09115	0.4
127.03851	0.4
128.06224	1.2
129.07005	2.9
131.04948	0.4
131.08565	2.1
133.05405	0.4
133.06432	0.6
133.10114	0.5
137.05940	0.5
138.09070	0.3
140.10654	0.6
141.06993	1.1
142.07750	0.4
143.08575	1.7
145.06464	0.7
145.10138	0.7
147.07932	0.4
149.05939	0.4
153.05441	0.3
153.07014	0.5
155.08542	1.5
157.06520	0.6
157.10088	0.3
158.09590	0.6
159.08073	1.0
160.11185	0.7
161.09677	0.3
165.07025	1.3
166.07741	0.5
167.08527	1.0
171.08049	0.5
172.11212	0.6
178.07764	0.5
179.08524	0.8
180.09271	0.4
181.10109	1.3
182.07346	0.4
183.11691	0.5
186.12782	0.8
188.14326	0.8
191.08609	0.6
192.09370	0.4
193.10107	1.1
195.11705	1.1
199.11023	0.4
203.08572	0.5
205.10127	0.8
207.06584	0.3
207.11696	0.5
209.09587	0.4
211.11197	0.6
219.11736	0.5
221.13403	0.3
223.11150	0.6
231.11642	0.6
235.11208	0.4
237.12785	0.4
239.10623	0.4
243.10005	0.4
247.11098	0.3
265.12326	0.5
267.13745	0.4
310.17841	0.8
322.18118	0.9
354.20547	1.5
372.21704	1.3
390.22641	2.7
444.21359	0.4
462.22482	0.5
476.24271	1.3
494.25308	5.1
512.26379	8.2
513.26947	0.6
530.27411	100.0
531.27820	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	530.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.2
54.75117	0.1
55.05488	0.1
56.04994	0.2
57.07068	6.0
57.07325	0.4
58.06597	0.8
58.44040	0.2
60.49989	0.1
67.05447	0.6
68.04981	0.2
69.07008	0.2
70.06548	0.5
70.69141	0.3
72.04454	0.6
74.06073	1.9
79.05479	1.1
81.03388	0.2
81.07049	1.0
82.06525	0.5
84.04454	0.2
84.08116	0.3
85.06516	0.2
86.06023	0.5
91.05463	2.0
93.07024	1.4
94.06565	0.8
95.04919	0.6
95.08543	0.5
96.05061	0.1
96.08118	0.8
97.18208	0.1
98.06017	0.2
99.37705	0.1
100.07571	0.1
105.07012	3.0
107.04935	0.2
107.07331	0.2
107.08589	0.7
108.08101	0.9
109.06416	0.2
110.06020	1.4
110.09618	0.2
112.07604	1.0
115.05415	0.4
117.07004	1.2
119.04862	0.7
119.08549	0.9
120.08031	0.5
121.06482	0.8
121.08830	0.5
121.10023	0.2
122.09608	0.4
123.06733	0.2
123.08079	0.2
124.07516	0.5
124.24082	0.2
128.06146	0.6
129.06987	1.3
131.07224	0.4
131.08492	1.6
132.08076	1.2
133.06459	0.4
133.08749	0.2
133.10063	0.4
134.09645	0.8
135.07976	0.3
136.07520	0.4
136.11179	0.2
138.09070	0.2
141.06949	0.7
142.07703	0.3
143.08551	1.4
144.07999	0.5
145.06416	0.5
145.08905	0.3
145.10048	0.9
146.09612	1.7
147.07967	0.5
147.10344	0.2
148.07498	0.3
148.11198	0.8
149.09488	0.3
150.09093	0.2
150.12776	1.0
153.06999	0.3
154.07668	0.2
155.08536	2.4
157.08783	1.4
157.10074	1.0
158.09619	4.7
159.08000	0.4
159.10358	0.3
160.07532	0.3
160.11139	0.9
161.09538	0.4
162.09096	1.1
162.12772	0.4
164.10655	0.4
165.06931	0.8
166.07742	0.4
167.08501	1.1
169.10143	0.9
171.07977	0.6
171.11620	0.4
172.11086	0.3
173.09572	0.3
174.09114	6.1
174.12801	0.2
175.09886	0.9
176.10674	2.7
177.09065	0.5
178.07703	0.6
178.12148	0.5
179.08510	1.3
180.09309	0.8
181.08733	0.2
181.10106	1.6
182.10785	0.2
183.07938	0.2
183.11726	0.8
184.11047	0.2
185.09596	0.3
185.13136	0.2
188.10637	0.2
190.12196	0.4
191.08525	0.3
192.09131	0.7
192.13754	0.4
193.08484	0.2
193.10114	1.8
194.10834	0.5
195.08003	0.3
195.11679	2.9
196.11095	0.2
197.09518	0.3
197.13147	0.5
198.12788	0.2
200.10545	0.2
202.12196	0.4
203.08418	0.2
204.09224	0.5
205.10085	0.8
206.10847	0.8
207.11745	0.8
209.09550	0.4
209.13260	1.6
211.11072	0.3
211.14754	0.5
213.16255	0.2
215.08568	0.3
217.10095	0.3
218.11346	0.2
219.11752	0.9
220.13130	0.6
221.09570	0.2
221.13257	1.3
222.12726	0.2
223.11105	0.4
223.14816	0.7
224.14307	0.2
225.16154	0.2
229.10173	0.2
230.10860	0.3
233.13231	0.6
234.12688	0.2
235.14832	0.9
237.12756	0.3
237.16339	0.3
239.14278	0.3
245.13283	0.4
248.14388	0.2
249.12646	0.3
250.15820	0.3
251.14297	0.9
252.13844	0.4
253.15889	0.3
260.14331	0.2
263.14273	0.7
264.17380	0.3
266.15402	0.3
266.18915	0.5
270.14868	0.2
276.17542	0.6
278.15421	0.4
284.20001	0.6
287.95090	0.2
294.18488	2.7
296.16449	0.3
304.16937	0.4
310.17889	0.2
312.19525	4.4
313.19733	0.2
322.17963	3.9
330.20709	0.2
340.19009	14.3
341.19345	0.2
356.18561	0.6
358.20139	1.9
414.26331	7.1
415.26758	0.4
424.24780	0.7
428.24207	3.2
442.25818	24.4
443.26233	1.2
448.76657	0.2
460.26990	0.3
493.52438	0.2
512.29877	0.2
530.31049	100.0
531.31403	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	530.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.05497	18.1
57.03422	15.3
58.06588	5.6
67.05498	28.8
69.03420	3.9
69.07059	7.3
70.19044	2.9
71.04964	9.0
71.44553	3.4
79.05483	34.6
79.45162	2.8
81.03406	76.4
81.07043	34.1
83.04971	16.6
83.08600	25.1
85.02888	30.0
85.06539	2.8
90.45255	2.5
91.05473	46.3
93.07034	22.0
95.04958	33.4
95.08582	14.6
97.02840	3.9
97.06541	5.5
97.10156	4.4
105.07021	29.2
107.04929	7.8
107.08537	7.1
109.06519	5.5
109.10133	4.1
111.08067	12.6
117.06993	3.7
119.08577	23.9
121.06522	3.4
121.10120	9.7
123.08041	3.3
129.06989	12.0
131.08539	14.6
133.10143	15.6
137.09601	2.8
142.07846	3.1
145.10037	3.2
147.08084	3.8
147.11703	16.2
149.09624	6.9
157.10109	17.1
165.12756	4.0
175.11189	19.1
187.12289	3.0
193.12219	71.1
211.13257	100.0
212.13658	3.7
267.15857	27.2
285.16898	79.7
286.17313	3.9
327.66272	3.1
343.10904	2.9
343.21066	3.1
459.26999	3.2
477.28281	9.2
488.90106	2.9
495.29419	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	530.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
53.10756	0.6
55.01867	31.7
55.02125	1.1
55.05504	3.6
56.05021	0.9
57.03416	1.1
61.31282	0.6
65.03904	1.5
67.05495	12.5
68.05021	18.6
69.07058	6.3
70.06584	8.6
71.04939	1.1
71.44187	0.8
79.05481	11.3
80.05000	4.7
81.03388	2.1
81.07041	12.0
82.06590	3.4
83.04936	1.5
83.08572	1.1
91.05468	4.6
93.05729	1.3
93.07024	5.0
94.06543	3.9
95.04917	2.8
95.07304	1.4
95.08553	2.4
96.04453	1.0
96.08109	4.6
97.06522	15.3
97.10151	0.8
98.09667	8.1
99.04383	0.8
103.05441	0.9
105.06965	2.6
106.06548	12.7
107.04913	1.7
107.08580	3.4
108.07469	0.8
108.08110	9.5
109.06469	2.1
109.10121	4.3
111.04385	0.9
117.06960	1.8
118.06478	3.0
119.07316	0.7
119.08524	2.8
120.04421	1.6
120.08087	4.9
121.06472	1.0
121.08834	1.3
121.10064	0.9
122.06013	70.1
122.09561	1.0
123.06339	1.2
124.07578	25.6
125.09621	0.9
126.05442	0.7
131.08537	1.4
133.10104	1.2
134.05948	2.3
134.09612	3.2
135.06850	1.1
135.08009	1.8
136.07558	49.6
136.11143	1.1
137.09569	0.9
140.07024	1.0
146.09593	1.1
147.10416	1.1
147.11647	0.7
148.07495	1.1
148.11197	12.7
150.12737	1.5
152.07063	3.9
153.07855	3.5
153.08937	1.0
163.11189	1.5
164.58051	0.7
174.09140	1.0
175.09868	0.9
176.14311	29.9
186.12578	0.7
189.11278	1.1
194.15405	1.3
204.13811	40.8
220.13385	0.8
222.14859	100.0
223.15207	1.8
224.21848	0.8
301.16299	0.7
315.14481	0.7
484.34375	1.0
494.32739	2.3
495.29382	0.9
512.33643	11.2
530.34747	30.5
531.35175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	1.6
66.83887	0.4
67.05460	0.7
69.03416	0.6
70.06548	0.3
77.03901	0.5
79.05482	2.5
81.07014	1.2
84.08118	0.5
85.02863	0.6
86.09678	0.4
89.11825	0.4
91.05446	1.7
93.06998	0.4
95.04937	1.5
105.03377	3.6
105.07017	0.9
106.03691	0.7
107.04950	3.4
107.08561	0.5
108.05280	0.5
108.08094	0.5
109.06465	0.8
109.10116	0.6
114.48130	0.4
117.06999	0.4
119.08554	0.8
120.02053	1.5
122.09604	0.8
125.05984	0.4
134.03647	1.9
135.04401	13.9
137.02330	0.5
137.05930	0.6
138.03067	1.6
138.29140	0.4
143.08533	0.5
163.03877	19.1
166.02612	0.6
169.10016	0.5
179.02126	1.2
179.08539	0.5
181.04930	10.1
193.10153	0.9
194.04477	6.4
208.12051	0.4
209.13315	0.5
219.06783	0.5
219.17384	0.4
234.07857	3.3
235.14481	0.5
247.06305	0.7
247.08632	0.9
249.06381	0.5
250.07266	0.6
262.07156	2.9
263.08331	1.2
275.08179	1.8
277.09824	0.5
278.07693	1.3
287.08249	0.4
289.09784	0.7
290.08063	19.8
291.07700	2.4
292.09875	2.3
293.09290	0.9
294.18414	0.6
303.07645	2.3
304.08771	0.5
305.09158	80.7
306.07001	1.8
306.09625	2.1
307.10748	8.7
317.09326	0.5
319.07303	0.9
319.10751	2.1
320.08975	1.5
321.08603	6.4
322.10321	0.4
322.17761	0.7
335.10226	9.7
336.12244	37.1
337.12482	1.3
338.13751	4.0
351.13342	100.0
352.13937	3.7
399.20309	0.6
424.10150	0.4
442.21970	0.5
443.22687	1.0
455.12308	0.6
456.16724	0.4
461.23639	1.2
483.11868	0.7
486.17453	0.5
513.16284	2.1
530.27771	9.1
531.11414	0.4
531.17566	16.3
531.27808	16.8
532.17902	0.5
532.28302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95208	0.4
57.03422	0.5
57.07064	0.7
67.05479	0.6
69.03400	0.7
69.07069	0.6
70.06581	0.9
71.44816	0.3
72.06738	0.3
73.02895	0.5
79.05463	0.6
81.07053	0.5
85.02902	0.7
92.47694	0.4
93.07062	0.4
95.04927	0.4
95.08588	1.0
97.02879	0.8
107.08542	0.4
119.08589	0.5
126.51554	0.3
127.03911	0.6
131.08554	0.7
135.08047	0.3
145.04935	0.4
174.09145	0.6
178.08571	0.6
180.08899	0.5
184.36661	0.4
218.50694	0.4
219.07997	0.4
220.11800	0.4
220.57214	0.4
295.18881	0.4
307.22760	0.4
313.19794	0.4
317.08319	1.1
323.18405	0.5
340.18893	0.5
341.19400	1.8
415.26563	0.9
429.24295	0.4
442.25726	0.5
443.26132	3.1
531.13922	1.8
531.21777	13.9
531.35229	100.0
532.22217	1.1
532.35583	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	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
53.33774	2.2
54.42963	2.5
55.01879	3.9
55.05503	27.2
57.03422	13.5
57.07059	5.6
65.03918	5.5
65.83755	3.0
67.05494	86.3
69.07066	20.0
71.04980	8.5
71.08648	2.5
73.02916	2.8
75.32135	2.3
77.03878	3.1
79.05479	98.1
81.03391	11.6
81.07043	92.5
83.04986	12.5
83.08604	10.5
85.06503	5.0
87.04436	13.3
91.05466	77.8
93.07027	100.0
95.04952	26.8
95.08588	52.9
97.06496	7.5
97.10146	3.8
99.08073	9.0
105.00070	9.7
105.04538	5.7
105.07013	44.4
107.04956	6.0
107.08575	36.3
107.36243	2.4
109.06507	7.8
109.10139	22.5
111.08074	3.4
117.07013	15.9
119.08555	27.4
121.06530	4.0
121.10130	28.3
123.08057	5.5
123.11668	5.0
125.09554	2.8
128.06230	3.3
129.07002	15.4
131.08549	16.8
133.10077	20.7
135.11658	21.2
137.09624	4.2
142.07626	2.6
143.08537	11.6
145.10052	13.9
147.11656	36.4
149.09708	2.9
149.13229	5.7
151.11127	4.4
157.10074	4.7
159.11661	9.2
161.13225	11.0
163.11069	3.0
165.09052	2.9
171.11678	23.0
173.13231	8.0
183.11725	4.2
189.12743	6.3
207.13715	16.0
213.16382	2.6
215.17888	11.4
217.85149	2.6
232.90321	2.5
233.18942	6.3
253.14403	5.0
279.15897	3.1
281.17435	25.4
286.29727	3.0
307.22656	47.7
421.30795	3.7
439.31973	4.9
501.09482	3.1
513.35657	62.1
514.35864	3.3
531.37170	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	532.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40897	1.5
55.01865	23.5
55.05492	2.8
56.02129	1.7
57.03432	1.8
57.07059	1.9
62.02266	2.0
67.05508	13.5
68.05001	4.6
69.07051	9.6
70.02954	3.1
70.06586	12.3
71.04985	23.7
71.44783	1.8
74.27135	1.6
79.05495	8.9
80.05004	3.2
81.03400	2.2
81.07052	16.6
83.08620	2.2
86.06067	2.5
91.05465	6.9
93.07040	6.6
94.06549	3.8
95.04966	3.0
95.08582	4.0
96.08114	5.3
97.06528	18.5
98.09690	10.1
105.07021	3.6
106.06537	5.2
107.08601	5.6
108.08084	5.2
109.06507	1.9
109.10133	3.2
117.06983	2.4
119.08600	4.7
120.08118	3.9
121.10114	2.1
122.06028	26.4
124.07579	36.2
131.08640	1.9
132.47577	1.9
132.69632	1.7
133.10135	2.0
136.07562	72.8
140.07056	23.2
141.37831	1.7
147.11633	2.9
148.07639	3.7
148.11183	5.2
152.07051	3.6
158.46979	1.8
176.14334	8.1
194.15384	7.1
204.13803	20.9
222.14861	100.0
223.14966	2.4
240.15840	3.2
496.33884	3.5
514.35278	71.6
515.35254	2.6
532.36792	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	533.1284
Annotation	Kaempferol 3-(3'',4''-diacetylglucoside)
Peak:m/z	Relative Intensity
53.03942	2.1
57.03422	0.3
61.02901	0.4
67.01849	0.4
68.99790	0.8
69.03420	9.0
69.64244	0.9
69.64572	0.3
71.04968	1.1
73.02944	0.2
81.03410	13.5
83.01341	0.4
83.19451	0.3
85.02399	0.5
85.02895	7.7
86.03204	0.3
95.04939	0.3
97.02882	9.5
98.22681	0.3
99.04436	2.5
105.03396	0.5
107.04932	0.5
109.02864	18.9
111.00791	1.1
111.04372	0.3
115.03866	0.5
121.02859	3.4
127.03899	11.4
127.83022	0.3
137.02316	1.6
137.09433	0.2
139.03874	0.7
145.04887	0.7
147.04385	0.8
153.01816	4.7
157.06483	0.5
161.05954	0.3
165.01831	1.9
169.04945	2.0
169.06274	0.3
171.04379	0.3
183.02875	0.9
185.05928	0.4
187.05986	6.3
203.07001	0.3
213.05353	1.2
229.05000	0.5
229.07045	1.4
231.06468	0.5
241.04866	0.9
247.08057	0.6
257.04388	0.5
258.05246	1.1
259.06033	0.5
285.04007	0.3
286.04605	1.0
287.05457	100.0
288.05820	3.4
303.04980	3.5
315.04956	0.4
317.06433	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	533.1286
Annotation	Kaempferol 3-(3'',4''-diacetylglucoside)
Peak:m/z	Relative Intensity
53.03940	5.2
53.50920	0.9
69.03435	6.2
69.72263	2.9
69.72611	1.9
71.04981	4.1
72.44165	1.0
81.03407	22.8
83.01308	1.2
85.02895	17.8
86.31638	1.0
97.02879	11.2
99.04449	13.3
103.03925	12.1
109.02865	34.6
115.03954	1.6
127.03897	100.0
128.04227	1.2
139.03853	1.2
145.04945	5.2
169.04936	11.5
187.05975	17.8
229.07066	20.7
247.08179	9.7
287.05453	35.3
311.05026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1286
Annotation	Bidenoside A
Peak:m/z	Relative Intensity
51.78984	1.8
53.03935	6.3
54.55934	2.1
69.03419	33.1
70.02074	4.0
70.02390	2.9
71.04990	3.1
81.03407	32.6
81.03847	3.8
83.01339	3.6
84.61121	1.7
85.02896	36.2
88.70617	1.9
97.02881	49.8
99.04434	17.0
103.03932	2.9
109.02864	100.0
111.42220	1.9
121.02824	2.1
127.03896	59.6
139.03894	5.8
145.04955	11.3
153.01775	3.9
155.08710	1.9
169.04996	7.5
169.58011	2.5
187.05975	25.1
229.07088	5.7
287.05460	77.4
288.05820	2.6
314.56091	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	533.2562
Annotation	Bistratamide F
Peak:m/z	Relative Intensity
55.52958	0.2
69.03391	0.3
69.20605	0.6
69.21009	1.2
73.02864	0.7
85.02880	0.3
85.06521	0.3
95.08574	0.3
109.02826	0.5
119.08547	0.3
127.03844	0.9
155.03085	0.3
185.04199	0.3
219.08519	0.3
263.73776	0.3
275.07309	0.8
287.05463	0.8
313.16156	2.4
317.08408	1.0
333.07877	0.3
335.09430	4.5
340.68958	0.3
375.12814	0.4
401.21329	0.9
405.47513	0.3
445.20410	32.0
446.20508	1.3
533.25635	100.0
534.25958	5.0
534.33673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
67.05482	0.7
69.03422	0.5
69.07058	0.5
69.61614	1.1
71.28036	0.3
73.06567	0.3
77.46603	0.3
79.05464	0.3
81.07037	0.9
85.02879	0.8
87.04499	0.3
91.05457	0.4
93.07030	0.4
95.08599	0.9
97.02885	0.4
98.22737	0.6
99.04405	0.3
105.07018	1.0
107.08571	0.9
109.10195	0.3
115.03897	0.3
119.08598	0.8
121.06506	0.5
127.03879	0.5
131.50111	0.3
143.08583	0.3
145.10126	0.5
159.11708	0.7
173.09587	0.5
183.36629	0.3
193.15866	0.3
205.10097	0.6
211.14853	0.3
275.07367	0.4
287.05539	0.7
313.15689	0.4
317.08417	0.5
335.09369	2.4
425.30576	0.4
443.31686	0.4
445.20374	23.7
446.20767	1.0
533.25623	100.0
534.26074	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	533.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71508	0.5
54.44374	0.6
55.01863	0.7
55.05497	1.4
57.03434	1.2
62.01458	0.6
67.05495	3.0
69.07058	1.0
70.06564	0.6
70.54823	0.7
75.68340	0.5
79.05480	3.0
81.03413	1.3
81.07035	2.8
83.08611	0.9
85.02894	1.3
88.74893	0.6
91.05481	1.9
93.07040	1.6
95.04944	1.7
95.08582	0.9
97.06506	0.7
104.10742	1.2
105.07034	2.4
107.04975	0.5
107.08579	1.6
109.06508	0.7
113.05955	0.6
117.07001	1.0
119.08603	1.4
121.10115	0.9
123.08100	0.6
131.08537	0.9
131.52762	0.6
133.10100	0.9
142.73158	0.5
163.11101	1.3
197.94960	0.5
239.12503	0.6
240.50740	0.6
249.10954	3.1
251.12582	5.0
285.16895	0.6
293.11697	1.0
293.40607	0.6
294.12643	1.3
295.09888	0.7
305.13638	2.8
306.59531	0.6
307.15109	6.3
310.12106	0.9
355.16470	0.7
515.29572	0.6
533.27130	100.0
534.27399	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	533.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89339	3.8
53.03945	5.8
55.01861	17.4
55.05502	58.1
57.03436	18.0
57.07060	8.3
59.60356	3.9
65.03941	4.2
67.05499	84.7
69.03428	6.0
69.07050	25.4
71.04987	14.4
71.43314	3.7
79.05482	76.2
81.03420	19.1
81.07046	89.8
81.07497	6.3
83.04968	14.8
83.08604	30.6
85.06519	4.8
87.28799	3.9
91.05467	49.7
93.07033	76.3
93.07586	7.4
95.04959	18.1
95.08600	55.6
97.06518	11.9
97.10153	40.7
99.04449	5.4
104.90120	3.9
105.04527	6.9
105.07004	45.4
107.04979	6.4
107.08578	52.3
109.06458	4.7
109.10140	32.3
111.04411	10.4
111.08077	12.7
115.05405	4.1
117.06990	26.9
119.08569	42.3
121.06505	4.4
121.10125	37.2
122.06016	5.7
123.08059	10.1
123.11706	8.9
125.09620	30.1
128.06160	4.0
129.06987	16.2
131.08546	39.7
133.10091	32.7
135.08061	6.4
135.11684	36.4
136.07561	12.0
137.09592	4.4
140.06963	5.0
143.08562	16.2
145.10107	36.7
147.11658	28.5
149.09602	8.8
149.13246	9.8
153.12727	9.3
155.08549	8.4
157.10118	14.8
159.11696	25.5
161.13240	16.3
163.11180	18.8
169.10109	4.9
171.11729	15.0
173.13278	15.8
181.12178	5.0
183.11714	9.1
185.13257	9.6
187.14809	11.3
188.51756	3.9
189.11203	21.2
191.10718	5.6
197.13249	5.7
199.11200	4.2
199.14784	6.7
205.12225	4.5
213.16325	9.5
215.17950	12.1
222.14938	13.0
223.15134	8.5
225.16299	6.4
227.12733	32.2
227.17897	7.4
231.17455	8.4
233.18993	15.4
233.86424	3.9
245.13834	5.9
245.19002	3.7
249.16223	4.2
253.19548	6.9
255.17668	4.3
271.20526	27.8
273.18555	3.9
275.00351	4.1
283.15298	18.4
289.21548	10.5
300.67316	3.9
305.21155	5.2
307.22519	11.5
311.20230	4.3
315.19379	4.8
405.27808	7.5
423.28967	13.3
441.29813	14.1
459.30798	8.6
474.73004	3.4
487.33884	8.3
497.32571	21.0
515.33667	100.0
516.34137	4.3
533.34467	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03927	1.8
55.01865	0.9
55.05490	1.8
55.60598	0.5
57.03428	7.6
59.04979	1.0
61.02917	0.9
67.94679	0.5
69.03411	10.8
71.01356	1.0
71.04980	61.5
72.05302	0.7
73.02905	1.3
75.04446	3.1
77.03917	1.5
79.05471	3.7
80.39706	0.6
81.03403	1.3
83.04964	9.3
85.02891	67.1
87.04458	2.2
95.04956	5.3
97.02876	4.0
98.22594	1.0
99.04427	1.4
101.06010	0.6
103.03910	1.1
105.03373	100.0
106.03705	1.2
111.04428	5.0
123.03510	1.2
123.04410	22.2
127.03883	2.2
129.05457	25.5
145.04921	1.4
146.08119	0.8
147.06490	12.3
147.07620	0.8
163.05952	0.7
164.09166	3.6
191.06987	29.2
195.06516	0.6
209.08041	29.7
215.09102	1.0
231.08589	3.4
255.08543	0.8
274.77576	0.5
287.05405	1.1
295.09818	0.8
374.40231	0.5
534.30316	2.0
534.43707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42590	1.4
53.03954	2.5
54.43241	1.7
55.05501	3.9
57.03434	10.3
59.04990	1.4
60.50611	1.4
61.02913	1.8
69.03418	95.6
69.28752	7.8
71.04982	86.3
73.02952	1.6
75.04474	3.6
76.02220	4.0
79.05479	2.3
81.03409	4.8
81.07040	1.9
83.04967	8.6
85.02892	96.9
87.04462	3.2
95.04957	3.3
97.02894	9.0
99.04446	5.5
105.03378	100.0
109.02859	19.4
111.04420	2.5
121.10099	2.3
123.04435	8.1
127.03902	18.7
129.05463	34.4
131.08524	1.6
141.88029	1.4
145.04962	3.6
147.06494	15.4
153.05455	4.8
162.02238	2.0
163.42432	1.9
164.09209	7.5
178.04979	6.5
179.04778	2.0
191.05309	2.2
191.07008	33.9
195.06496	11.6
206.04517	8.7
209.08067	10.0
213.07541	7.9
231.08604	92.1
288.05704	2.5
308.09390	2.4
353.12347	5.3
463.28140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91312	0.2
63.63929	0.2
79.05378	0.3
81.06928	0.3
83.66279	0.3
85.02815	0.3
90.56426	0.2
91.05345	0.4
93.06908	0.3
98.23477	0.7
105.06946	0.4
119.04832	0.3
121.02699	1.1
131.08430	0.3
145.09976	0.3
167.06935	0.4
177.05278	0.4
184.90463	0.3
201.42078	0.2
205.06459	0.4
206.07086	0.5
217.06450	0.5
218.07126	0.7
219.07936	1.0
221.09554	2.0
221.40027	0.3
222.06671	0.8
229.15300	0.3
231.07941	0.7
233.05981	1.6
234.06740	5.1
235.07378	1.1
237.09119	1.6
247.07605	1.2
248.08150	0.5
249.09068	11.2
250.06140	0.8
250.09261	0.5
261.05276	0.3
262.09845	0.6
263.06799	0.7
263.10541	0.5
264.07733	0.4
265.08569	16.2
266.08994	0.7
275.06821	0.6
276.07736	0.6
277.08557	15.4
278.09116	1.4
279.06406	0.3
279.10071	1.5
283.09436	0.3
290.09302	0.5
291.12723	0.5
291.82983	0.3
292.10886	28.8
293.08057	28.1
293.11325	2.2
294.05389	0.4
294.08432	1.1
295.06055	1.3
307.05936	1.1
307.09488	0.5
308.10364	32.4
309.07437	0.4
309.10641	1.0
321.07608	1.1
322.14136	0.3
323.12726	100.0
324.13049	4.2
325.07001	0.9
333.07599	0.5
335.08896	0.4
337.07065	0.9
345.07568	0.3
349.07007	0.7
351.08728	0.4
354.16934	19.6
355.17343	0.8
356.22247	0.8
361.07193	0.6
373.06946	0.4
375.08691	0.4
379.08270	1.2
391.07965	1.2
397.09280	1.0
409.08948	1.5
427.10141	0.7
433.09131	0.4
445.09344	0.4
451.10516	0.6
463.10254	0.4
469.11362	0.6
481.11182	1.6
499.12515	1.0
517.13232	0.3
534.27454	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	3.1
55.05502	26.8
57.03423	5.3
57.07051	10.9
60.08147	7.9
60.48072	2.4
61.02902	4.5
67.05157	5.0
67.05491	66.5
69.07054	25.2
69.17398	6.0
69.17789	8.1
71.04977	3.7
71.07335	4.6
71.08622	5.6
72.15540	2.5
79.05473	20.4
81.07040	78.9
81.56549	2.7
83.04956	4.2
83.08610	21.1
85.02894	3.0
85.10180	2.6
86.09693	21.7
91.05470	18.4
93.07038	20.7
94.57745	2.6
95.04951	3.4
95.08012	5.2
95.08588	67.2
97.06520	6.9
97.10150	12.5
97.37661	2.3
98.22610	3.8
99.08081	4.0
99.46349	2.4
100.48232	2.5
102.56317	2.5
104.10723	100.0
105.07010	10.4
107.08578	15.4
109.10126	35.1
110.98116	2.6
111.11693	4.1
113.09611	2.4
117.06985	2.4
119.08572	11.6
121.10125	17.5
123.11678	15.8
124.99988	3.3
125.09608	3.3
125.30804	2.6
127.11201	2.9
131.08510	2.8
133.10129	13.5
135.11650	16.7
137.09526	2.7
137.13219	6.1
140.94156	2.8
147.11690	8.3
149.13245	7.4
151.14775	6.0
161.13232	13.0
163.14775	8.3
165.12701	2.7
165.16328	6.1
175.14781	6.4
179.14201	2.7
184.05855	2.5
184.07321	12.7
193.15964	3.0
245.22581	53.7
263.23663	65.0
316.95880	2.6
337.27304	44.7
475.21918	18.0
534.29132	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	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78881	5.9
55.05508	30.6
57.07069	18.9
61.02904	7.3
67.05495	90.5
69.03460	6.9
69.07063	21.2
69.20258	12.2
69.20641	19.3
71.04991	12.1
71.08615	6.7
72.83792	6.1
76.44901	5.3
79.05482	39.7
79.65205	5.8
81.07046	100.0
83.08605	24.7
85.02881	8.9
91.05454	29.2
93.07030	36.4
95.04951	9.2
95.08589	91.9
97.02898	7.1
97.06528	9.1
97.10178	9.9
104.10756	7.3
105.07027	19.0
107.08587	23.9
109.10166	43.5
117.06979	6.8
119.08596	13.8
121.10141	21.8
122.06018	6.3
123.11700	20.6
123.30040	5.2
124.07548	7.0
133.10135	13.2
135.11684	17.5
141.12749	7.8
145.10060	5.9
147.11676	16.8
149.13248	10.8
151.14774	9.5
155.14259	7.5
161.13237	23.1
163.14896	6.4
165.16362	12.3
175.14841	9.7
179.17981	10.2
222.14757	6.8
245.22615	62.6
263.23697	74.0
337.27307	39.4
472.26819	6.1
505.60580	6.7
516.36145	7.6
534.11896	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	535.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.3
58.06586	3.5
61.02913	3.8
63.45094	2.0
65.03919	2.1
67.05474	2.6
69.03413	2.5
69.12798	13.3
70.06604	2.0
75.87678	1.9
79.05478	3.4
81.03380	3.3
85.02894	8.1
85.10924	1.8
85.99546	1.7
91.05464	3.6
97.02889	3.2
103.05396	3.4
107.04918	4.9
107.08595	2.1
109.02824	2.1
109.10120	2.0
119.04945	13.0
119.08584	3.5
121.02850	46.4
131.04887	2.2
136.07445	2.3
137.05954	3.8
145.02838	8.7
149.06033	2.7
151.03899	2.5
151.07500	2.5
159.04382	2.8
161.02390	2.1
171.04402	2.3
175.03934	2.4
177.01810	4.0
177.05495	2.3
179.03384	3.7
187.03926	2.4
189.01787	10.5
189.05376	2.3
191.03296	5.5
195.02869	6.2
199.03882	2.8
203.03397	20.8
205.04924	3.7
207.02847	6.6
207.06329	2.3
209.15331	5.4
213.05449	2.5
215.03343	10.6
217.04906	7.2
219.02788	3.8
221.04431	6.8
229.04997	2.3
231.02872	2.6
233.04480	6.1
243.02870	6.7
245.04443	2.1
267.06522	2.9
268.07208	2.8
269.04355	2.6
273.03851	2.7
279.06348	5.4
280.07443	3.8
281.04657	2.3
281.07959	6.3
283.05984	6.7
284.06784	2.6
287.05426	8.9
292.07321	4.2
293.08145	4.1
294.05157	17.6
295.05972	61.3
296.06558	6.9
297.07526	8.8
305.08054	4.2
307.05988	46.2
308.06638	16.6
309.07391	20.8
317.07962	6.6
319.05969	6.1
320.06747	8.0
321.07520	43.7
322.08176	7.9
323.09116	6.8
325.07013	36.2
329.07761	4.2
333.07562	26.9
334.08157	7.7
335.09003	16.2
336.06177	2.5
337.06998	33.5
339.08493	4.1
345.07550	17.4
347.09094	9.6
348.06186	2.8
349.07013	34.5
351.08597	18.1
355.08087	4.4
359.08896	4.2
361.06955	24.5
361.11047	2.3
362.07526	3.4
363.08499	17.5
365.10046	2.4
367.08038	7.6
373.07065	12.1
375.08643	13.0
379.08038	72.2
380.08170	2.6
385.08859	2.7
387.08624	10.7
389.10318	2.9
391.08044	52.6
392.08365	2.3
393.09576	3.1
397.09079	37.9
399.08636	4.5
401.10400	2.5
403.08212	11.1
405.09549	8.0
409.09076	56.6
415.08670	9.7
417.09506	6.2
421.09018	6.3
427.10312	32.3
433.09052	26.6
439.09607	2.6
445.09711	19.3
451.10181	26.1
463.10098	30.6
469.11249	32.4
481.11237	100.0
482.11469	4.4
499.12271	70.2
500.12506	3.1
517.13293	19.7
534.26746	4.5
535.27582	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	535.1442
Annotation	6,8-Di-C-alpha-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
55.01866	13.6
57.03408	2.0
58.06594	3.2
61.02912	3.8
65.03926	3.1
67.05477	3.1
69.03423	2.0
70.01070	5.9
71.04987	4.7
78.83710	2.2
79.05485	1.8
81.03433	3.0
81.07058	4.1
83.04975	3.1
85.02906	6.1
89.06031	2.0
91.05479	3.6
93.07050	2.8
94.32655	2.0
95.04985	2.2
95.08599	2.2
95.43723	1.9
97.02890	2.6
99.04465	2.5
99.08168	1.8
103.05452	2.2
105.07037	5.5
107.04929	5.3
109.02891	3.0
111.04353	2.3
112.87935	2.4
117.06982	2.6
119.04929	10.0
121.02847	43.2
121.06463	1.9
125.45873	1.9
129.05490	1.9
129.06995	2.2
131.08629	1.9
133.10112	2.3
137.05956	3.5
145.02850	7.4
145.10092	2.0
147.04457	3.2
149.06027	2.1
154.13539	2.0
159.04414	3.0
171.04298	2.1
177.01819	4.1
177.05464	4.0
185.05937	3.0
187.03830	2.6
189.01810	10.2
189.05386	2.9
191.03354	5.8
191.14177	2.4
195.02884	8.6
199.03806	2.6
203.03331	22.5
205.04987	3.6
206.76944	2.0
207.02910	6.4
209.15331	15.9
213.05429	2.8
215.03394	8.7
217.04933	8.0
219.02849	3.3
221.04446	6.8
227.03291	3.7
227.16402	6.1
229.04662	3.1
231.02884	2.3
233.04433	6.9
241.04994	3.0
242.49245	2.3
243.02876	6.4
245.04388	3.8
267.06430	2.9
268.07312	4.6
279.06528	5.6
281.07928	3.0
283.05991	6.6
287.05371	10.1
291.06497	3.6
292.07407	3.2
293.08005	6.4
294.05252	12.8
295.06012	62.9
295.09451	3.3
296.06625	4.9
297.07455	8.8
299.06021	2.9
305.08051	2.6
306.08798	5.2
307.06009	49.1
307.09351	3.0
308.06708	17.0
309.07443	20.0
313.06909	2.6
317.07977	5.2
319.05954	6.8
320.06711	9.7
321.07507	50.6
322.08160	9.1
323.09033	8.5
323.12714	4.1
325.07028	39.8
329.08093	5.0
331.06052	3.0
333.07504	32.5
334.08252	7.7
335.09082	22.4
336.06177	4.5
337.06973	35.0
337.10721	3.2
339.08615	3.6
345.07413	20.9
346.07800	3.2
347.09070	8.9
349.07013	51.1
351.08502	22.1
355.07904	5.6
356.21884	2.6
359.09244	6.2
361.07022	27.5
361.11191	1.9
362.07816	3.8
363.08527	26.7
367.08151	8.5
373.06976	19.0
375.08633	16.6
377.10504	2.6
379.08057	69.1
387.08682	11.4
391.08038	52.0
393.09433	5.4
397.09085	39.0
399.08612	5.8
403.08182	11.2
405.09741	9.1
409.09088	56.8
415.08047	10.3
417.09525	8.7
421.09125	4.0
427.10223	28.4
433.09070	33.9
445.09766	18.2
451.10208	34.3
463.10062	28.2
469.11243	61.4
470.11093	2.6
481.11270	100.0
482.11578	4.2
499.05139	4.0
499.12265	79.2
500.12015	3.4
517.13269	24.9
534.26550	6.4
535.14276	8.7
535.26917	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	535.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46188	3.6
50.77673	3.5
54.57669	3.2
55.01609	3.0
55.01865	12.3
57.03422	3.2
61.02910	8.0
65.03922	3.3
69.03400	5.6
69.12145	18.3
73.02911	6.1
85.02869	9.6
88.77512	3.7
91.05472	6.8
97.02876	8.5
98.23456	6.4
111.04414	3.3
119.04908	14.6
121.02044	6.2
121.02847	64.8
123.08038	30.2
135.04463	3.8
145.02821	10.5
147.04372	5.2
154.46678	4.0
187.03896	4.1
189.01823	12.6
191.03357	6.7
195.02827	8.6
203.03416	17.1
207.02919	5.6
207.13824	4.5
215.03349	15.6
217.05121	7.8
219.02795	7.9
221.04459	8.7
225.05473	4.4
225.14876	11.8
229.04950	4.9
233.04413	4.3
241.04793	4.0
245.04372	7.9
268.07098	7.4
273.04013	4.3
279.06454	7.3
281.08105	8.0
283.06067	8.6
287.05438	59.0
288.05637	4.0
292.07187	6.3
293.07880	8.4
294.05106	15.1
294.08188	4.2
295.05981	80.7
296.06525	7.9
297.07443	5.9
307.05966	54.2
308.06693	18.6
309.07489	27.9
317.08151	7.9
319.05978	5.4
320.06735	12.6
321.07526	61.6
322.08160	10.5
323.05597	4.4
323.09103	8.6
323.12622	4.6
325.03622	6.3
325.07053	57.7
329.08200	4.7
333.07458	35.0
334.08109	10.4
335.05475	5.7
335.09067	25.3
336.06064	9.5
337.06970	49.7
339.08386	3.8
345.07590	23.1
347.09073	12.7
347.13370	3.8
349.06992	56.0
349.10901	4.7
351.08649	31.1
355.08316	7.1
359.09048	9.8
361.06961	33.5
363.08539	37.6
367.08090	13.6
373.06934	19.1
375.08554	15.7
379.08023	86.8
380.08603	4.2
387.08524	11.6
391.08020	72.4
393.09143	6.6
397.09048	48.0
399.08560	5.7
403.07935	17.7
405.09366	11.2
409.09070	69.8
415.08398	12.6
417.09726	8.2
421.09003	10.6
427.10223	50.6
428.10550	4.4
433.09186	30.7
445.09265	23.7
451.10168	45.5
463.10165	26.7
469.11249	61.6
470.11768	4.4
473.58383	3.9
481.11230	100.0
482.11722	5.7
499.12192	67.6
500.12561	4.9
517.13312	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	535.207
Annotation	BGT-226 free base
Peak:m/z	Relative Intensity
57.02289	0.7
60.61234	0.7
67.05485	1.4
69.59470	1.5
73.04776	0.6
79.05482	0.9
81.03393	3.1
81.07043	1.5
97.06475	0.7
98.23370	1.3
108.04457	15.5
111.04296	0.6
130.52402	0.7
136.03915	100.0
136.95187	0.7
140.47246	0.7
162.01784	0.8
167.05539	1.4
168.06531	34.8
181.54820	0.6
183.61185	0.7
191.08598	1.0
207.08026	1.2
213.09129	1.1
215.37498	0.7
219.08022	1.9
220.08812	2.6
221.09605	1.0
223.11125	1.6
224.08231	1.2
233.09647	1.0
234.06662	1.0
235.07487	2.6
236.08244	5.1
237.08998	2.1
239.10561	2.2
247.07520	1.2
248.08351	0.7
249.09132	3.8
250.06206	0.7
250.09857	1.1
251.10611	6.6
252.07811	1.1
253.08598	1.0
255.10048	1.0
262.09653	0.8
263.07022	0.7
263.10727	1.7
264.07700	1.9
265.08572	2.9
267.10199	3.3
277.08456	1.7
277.11142	1.1
278.09198	1.4
279.10089	14.2
281.08118	3.0
281.11691	13.3
282.08871	1.5
283.02893	0.7
292.10764	2.1
293.07959	2.2
293.11420	1.8
294.12454	29.0
295.09668	12.8
295.12833	1.8
296.10159	1.1
297.11102	8.2
298.11896	1.9
299.06107	2.6
304.09708	4.9
308.10013	3.3
308.13385	1.2
309.07446	2.3
310.11945	14.7
323.12717	5.0
325.14261	9.9
335.11411	1.3
337.13055	10.7
337.17026	0.8
338.10150	15.4
338.14163	0.8
339.11874	1.2
350.13812	10.3
353.12485	8.4
368.14859	80.1
369.15131	2.7
474.80954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
56.36487	1.5
57.03428	2.7
61.02915	4.7
67.05480	2.6
68.88538	1.7
69.03412	12.2
71.04984	7.0
73.02908	4.0
73.04754	9.1
75.94501	1.6
77.35844	1.4
81.03403	13.9
85.02893	63.4
91.05786	18.2
97.02876	42.7
97.60770	1.6
99.04443	47.0
103.03929	70.4
105.03387	1.9
109.02859	23.5
127.03902	100.0
145.04935	73.1
149.04468	3.5
162.66530	1.8
163.05989	26.8
163.07274	2.6
167.05540	19.2
169.04953	2.3
187.06015	3.0
225.04333	4.6
225.97252	1.9
239.09447	3.4
250.64310	1.7
266.99872	6.0
271.08145	9.7
283.03101	6.2
289.09109	4.0
299.06131	40.4
300.06186	1.7
307.10037	2.8
330.84158	1.8
344.97620	10.8
359.02707	3.6
415.03534	7.5
536.32050	2.5
540.56567	1.8
542.95343	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
57.03420	0.3
58.06595	1.4
61.02911	0.3
63.02364	0.4
69.03419	1.3
69.79975	0.9
73.04736	0.8
79.20851	0.2
81.03403	1.1
82.08181	0.3
84.02521	0.3
85.02892	4.4
89.03905	4.1
91.05824	0.6
95.04942	0.3
95.08523	0.2
97.02879	1.3
99.04421	0.4
101.96677	0.3
105.07048	0.4
106.04170	0.3
109.02868	0.5
111.00785	0.3
117.03364	13.5
119.04916	0.3
123.04417	0.4
123.85037	0.3
127.03876	0.7
129.10223	0.4
129.61714	0.3
133.02840	0.4
134.03578	1.0
135.04422	0.6
145.02831	40.4
146.03149	0.6
147.04364	0.3
149.05960	5.3
151.03850	0.6
162.03156	0.3
163.03900	0.7
164.06995	0.4
167.05525	1.2
177.05447	100.0
178.05823	1.7
195.06477	1.8
234.14966	0.3
283.03174	0.4
289.63232	0.3
297.07574	0.6
299.06140	2.4
299.09268	0.3
321.09769	0.7
339.10794	2.3
340.22757	0.8
344.97702	0.5
358.23703	10.4
374.12158	0.4
374.23279	0.9
436.44907	0.3
457.96466	0.3
466.25616	0.3
536.21204	1.3
536.28473	20.4
537.29071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62553	0.3
55.01844	0.3
55.07539	0.3
57.03421	0.3
58.06575	1.2
61.02898	0.6
63.02368	0.5
69.03404	1.4
69.21245	0.8
69.21635	0.8
73.04731	0.9
74.31902	0.3
78.70296	0.3
81.03407	0.7
81.07028	0.4
84.08143	0.5
85.02883	4.2
89.03905	5.1
91.05807	0.6
97.02873	1.1
97.06484	0.3
98.22717	0.8
98.87914	0.3
105.07001	0.9
106.04143	0.5
109.02863	0.5
117.03359	13.0
119.08579	0.6
127.03898	0.8
134.03615	0.9
135.04395	1.1
145.02821	41.1
145.04860	1.2
146.03206	0.7
147.04396	0.8
149.05943	4.7
151.03867	0.3
152.10725	0.3
163.03828	0.6
167.05531	1.1
177.05438	100.0
178.05803	1.3
195.06470	2.6
207.06511	0.4
225.04198	0.6
255.21516	0.3
267.00101	0.3
267.90894	0.3
270.18369	0.5
283.03128	0.6
297.07513	0.6
299.06152	2.7
321.09583	0.5
328.11420	0.4
330.13409	0.4
339.10620	2.0
340.22626	1.9
344.97620	0.7
356.22104	0.5
358.23685	19.2
359.24039	0.4
361.77435	0.3
374.12256	0.7
374.23322	1.4
536.21539	1.9
536.28436	37.7
537.29016	1.2
542.74200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03394	2.6
58.06584	4.0
58.94059	1.8
69.03416	5.7
70.57714	2.9
70.58048	2.6
71.04957	3.9
73.04742	5.7
73.49609	2.0
79.05470	5.6
81.03439	3.2
83.04544	2.5
83.04975	15.3
85.02884	10.4
87.04417	2.3
91.05785	7.1
93.07066	2.8
93.58531	2.4
95.04949	4.7
95.08595	3.0
96.29135	1.9
97.02835	5.8
99.04459	5.8
100.11459	2.0
103.05453	6.6
105.07004	6.5
107.04943	72.1
107.08577	2.7
109.02886	4.5
115.05501	2.2
117.57742	2.0
123.04366	2.6
123.08095	2.6
127.03914	13.7
131.04929	2.9
131.08516	2.5
135.08040	21.3
137.05977	4.1
137.09607	2.7
145.07611	2.9
145.10117	2.6
149.04526	2.1
149.05873	2.3
149.09555	3.4
163.07529	82.5
164.07860	2.6
165.12675	2.1
167.05557	11.1
167.07002	100.0
175.14799	2.6
178.04999	3.2
180.07736	4.3
195.10149	79.8
207.13759	5.2
213.11191	69.0
225.14909	2.4
239.09149	6.9
266.99875	4.3
280.09979	2.2
283.02756	2.7
287.05417	7.0
288.05801	10.7
295.15378	3.7
299.06183	24.7
300.15970	4.8
321.13287	35.7
339.14432	21.2
344.97546	6.4
357.15549	3.0
415.03558	3.7
536.28754	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	536.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05069	0.5
57.07117	0.3
58.06652	0.9
59.05054	0.3
62.31884	0.2
66.94112	0.2
68.05053	0.2
69.03468	0.4
69.11378	1.6
70.06646	0.3
73.02993	0.2
73.04779	0.2
75.60344	0.2
77.03963	0.4
79.05544	0.4
81.03461	0.4
81.07107	0.5
84.08221	0.2
91.05511	0.4
93.07125	0.7
94.06626	0.5
95.04961	1.1
95.08625	0.2
96.08145	0.3
97.02924	0.5
98.22701	0.6
105.03378	8.4
105.04588	0.6
105.07133	1.0
107.05021	0.3
107.08642	0.2
108.08139	0.4
110.19019	0.2
116.23100	0.2
117.07079	0.6
119.08640	0.6
120.08186	0.5
121.06586	0.4
129.07121	0.7
131.08607	0.6
132.08153	0.4
134.09770	0.4
140.10771	0.3
141.06998	0.5
142.07901	0.4
143.08653	1.0
145.06612	0.3
145.10199	0.5
147.08131	0.5
155.08521	1.1
157.10159	0.5
158.09766	0.3
160.07680	0.5
165.07002	0.4
167.05641	0.6
167.08620	0.4
168.17783	0.2
169.10240	0.5
171.08133	0.4
172.11327	0.3
179.08627	0.7
181.10135	0.6
183.11900	0.4
192.09357	0.3
193.10260	0.7
195.11850	0.5
197.09630	0.4
205.10274	0.4
207.11830	0.4
221.09703	0.2
230.24120	0.2
233.13367	0.4
235.11200	0.4
235.14882	0.3
250.16098	0.2
263.14331	0.4
264.17563	0.8
274.15955	0.3
282.18484	2.1
287.05612	0.3
288.05951	0.8
289.06110	0.7
290.06339	0.5
290.15479	0.3
292.17023	2.2
299.06134	1.2
310.17966	4.1
312.19516	3.2
328.19028	11.8
329.19308	0.3
368.05875	0.3
384.21579	0.3
414.22696	0.8
416.24228	1.2
430.25787	0.4
432.21683	3.3
434.25150	0.3
450.22690	39.0
451.23135	1.5
463.40271	0.2
515.66956	0.3
518.30908	0.4
536.26190	100.0
537.26581	6.4
537.34387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67403	3.0
53.03941	3.1
55.01855	4.3
55.05510	4.4
57.03427	10.0
58.06589	10.7
59.04958	3.4
61.02914	5.2
61.96735	3.0
64.43170	3.0
67.05502	18.5
67.14149	3.5
69.03420	29.0
69.07059	5.9
69.78535	7.3
69.78902	5.9
70.06576	10.2
71.04980	5.1
73.02908	29.6
73.04726	9.5
78.48225	3.3
79.05486	7.4
81.03406	6.4
81.07052	4.4
83.04970	12.8
85.02896	48.7
85.06531	4.9
86.09715	3.9
87.04459	4.8
90.55289	3.0
91.05407	8.7
91.05869	5.2
93.07024	11.4
95.08597	25.5
95.44959	2.8
97.02878	28.9
97.06529	5.2
98.23413	6.8
99.04439	9.7
105.07001	26.2
107.08593	21.9
109.02885	4.8
109.06509	4.6
109.10141	32.7
112.65672	3.3
113.06004	5.6
113.77753	3.1
115.03934	19.2
117.06998	4.1
119.04878	2.7
119.08564	45.2
120.08087	5.2
121.10148	20.6
122.07277	4.0
123.08049	8.5
123.35589	3.4
127.03868	16.8
127.07526	10.1
129.05476	3.2
130.90997	3.2
131.08533	12.7
133.04939	17.9
133.10095	19.5
135.08064	16.7
135.11653	5.6
137.05949	4.7
137.09602	69.2
138.09106	4.6
143.08490	3.7
145.04956	12.4
145.10114	26.5
147.11684	18.9
149.09599	11.4
161.13252	43.6
163.05959	5.7
163.11151	15.2
165.12810	3.4
167.05536	11.0
171.11674	9.5
173.13327	3.4
179.14272	3.7
181.12036	3.3
189.12723	55.2
198.11298	5.9
207.06529	4.5
207.13766	100.0
225.14792	6.7
239.09344	4.4
241.07063	4.7
259.07907	4.9
266.99731	7.5
278.10498	3.5
295.10101	4.6
299.06082	28.4
342.54477	3.8
344.97626	4.0
356.22318	5.2
358.22800	5.7
415.03763	5.0
475.91290	4.4
536.18237	6.0
536.27448	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	536.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.79919	2.7
69.03429	15.6
69.10112	18.4
69.10503	5.6
73.02907	14.4
79.05470	7.9
85.02885	20.0
91.05434	13.9
91.27932	3.0
92.76590	2.9
93.07045	17.0
93.63814	2.8
95.08596	7.1
97.02864	5.4
103.05445	3.0
105.07009	14.1
107.07840	4.7
107.08580	100.0
107.90546	2.7
109.06470	3.9
115.03912	5.9
119.08546	6.1
121.10126	13.9
129.06992	3.2
131.08546	91.7
133.04938	6.6
137.09633	5.5
145.04962	5.1
145.10135	3.3
147.11655	21.9
148.98463	3.4
149.09598	18.5
161.13272	4.3
171.11702	3.8
175.20276	3.5
189.12723	79.1
189.13971	3.0
207.13782	54.6
254.06682	2.8
270.78131	3.4
299.06030	7.3
339.18033	7.2
344.97098	3.2
522.60278	3.4
536.16876	4.0
536.27863	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	6.1
55.05507	5.9
55.39686	3.5
57.03423	4.8
58.06592	7.8
59.05001	4.7
67.05490	14.6
69.03421	24.5
69.07063	9.0
69.29955	7.4
69.30368	9.1
71.04987	39.8
71.88270	2.9
73.02907	6.4
73.04744	4.6
79.05486	16.4
81.03403	9.0
81.07042	37.2
83.04961	5.6
85.02885	32.1
85.06533	5.0
87.00822	8.7
87.04442	4.4
87.10642	3.0
91.05383	21.4
93.07025	50.5
95.04955	100.0
95.08600	21.0
95.09122	3.3
97.02878	14.9
97.06529	8.0
97.10143	3.9
99.08093	26.1
105.01855	10.7
105.07017	35.3
107.08575	38.9
109.02863	8.4
109.06506	8.5
109.10140	30.5
112.94465	2.8
113.05933	4.1
115.03897	7.6
117.06969	5.4
119.08584	33.2
119.61999	2.9
121.06534	11.6
121.10126	23.4
123.08055	10.4
123.11710	8.9
125.09571	20.1
127.03899	19.7
127.07544	38.5
127.11183	17.9
129.06956	4.4
131.08562	28.8
133.04951	7.6
133.10114	23.1
135.08035	4.0
135.11719	3.5
137.05978	6.6
137.09552	15.7
139.07584	4.0
139.11119	3.7
143.08514	5.3
143.10640	31.4
145.04951	7.7
145.10106	38.8
147.08002	4.0
147.11667	23.9
149.09596	21.9
157.10147	8.5
159.02921	3.9
159.11670	11.9
161.09589	9.1
161.13252	8.4
163.11148	12.9
165.12700	6.7
167.05563	10.8
171.11707	4.3
175.14853	5.8
178.04987	7.0
178.57233	3.3
187.14803	4.9
189.12715	4.2
189.16422	6.8
199.14789	7.5
205.15851	21.9
206.04465	11.6
207.13823	8.6
217.15848	62.9
218.16203	3.1
223.16837	15.0
225.11267	3.3
231.04991	4.3
235.16899	73.1
253.18016	13.8
266.99854	3.8
277.17984	3.2
288.05704	11.5
297.11414	3.8
299.06082	23.5
300.15857	5.8
344.97678	5.2
483.22214	20.1
536.28357	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	536.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01863	5.7
55.05503	16.5
57.03424	6.0
61.02917	3.5
67.05505	19.9
69.03417	4.5
69.07067	20.6
69.72582	7.1
73.04771	12.0
78.53652	2.3
79.05486	19.4
81.03428	4.1
81.06564	3.1
81.07047	57.3
83.04967	2.4
83.08618	17.2
85.02880	3.9
91.05460	15.3
91.05844	8.6
93.07027	20.0
95.04963	10.5
95.08593	21.3
97.02894	5.2
97.06520	4.1
105.03381	9.1
105.07025	9.4
106.10726	2.2
107.04933	10.9
107.08591	14.0
109.06507	31.0
109.10140	10.3
111.08064	5.1
117.07011	7.2
119.08562	15.2
121.06512	6.5
121.10137	18.0
121.98823	2.0
122.07792	2.6
123.08022	3.6
129.06981	5.6
131.08585	10.7
133.10101	7.3
135.08020	13.4
135.11658	3.1
137.05998	2.4
137.09604	9.7
141.06969	2.6
145.06491	3.1
145.10095	9.8
147.08090	3.4
147.11690	3.6
149.04552	4.0
149.09601	14.7
151.11063	2.3
159.07925	2.9
159.11734	2.7
161.09581	3.7
163.07587	2.4
163.11157	8.6
167.05553	22.7
169.08533	4.8
169.10059	2.7
177.09068	3.4
185.11719	5.9
185.38358	2.3
201.16251	3.3
207.11679	3.9
208.42650	2.2
219.17369	4.9
225.04257	4.4
229.15919	3.8
247.16896	12.5
265.18011	8.0
266.99860	6.6
281.05072	3.4
283.03046	4.6
288.05704	3.6
299.06183	37.1
300.06390	4.4
321.20563	71.1
321.24020	3.9
328.19034	5.2
339.21622	100.0
339.25012	4.0
340.22043	3.4
344.97610	7.7
359.02798	4.6
415.03439	5.3
450.22684	22.1
512.66193	2.6
536.26196	56.4
536.32098	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	536.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
56.05030	2.4
57.07068	4.8
58.06592	9.1
67.05488	0.5
71.04974	0.4
72.08157	2.8
79.05492	1.4
80.05011	0.4
81.07058	0.4
82.06565	0.2
84.08138	0.8
84.51981	0.2
85.06516	0.3
86.09697	2.3
88.07632	0.6
91.05461	2.5
93.07031	0.9
94.06499	0.3
95.04963	0.9
96.08125	0.6
98.09692	0.8
100.07652	0.3
102.09169	1.2
105.07008	1.5
107.04941	2.6
107.90953	0.2
108.08107	5.7
110.09679	0.4
111.04444	0.6
115.05486	0.5
117.07020	1.5
119.04926	0.5
119.08569	0.9
121.06518	0.9
121.08895	0.4
122.09648	1.7
123.04388	0.6
124.11190	2.0
128.06197	1.0
129.06985	2.3
131.04919	0.5
131.08545	1.9
133.06488	0.4
135.08064	0.3
137.05945	0.5
140.10701	1.1
141.06975	1.4
142.07748	0.5
143.08556	1.4
145.06479	0.8
145.10114	0.6
147.08049	0.5
148.11224	0.3
149.09622	0.3
152.10716	0.8
153.07005	0.7
154.07750	0.4
154.12233	4.0
155.08539	2.0
157.06512	0.5
157.10138	0.9
159.08040	0.6
159.10286	0.3
161.09589	0.4
165.07008	0.9
166.07745	0.4
167.08534	1.8
169.06563	0.4
169.10127	1.2
171.07999	0.3
172.11258	0.5
174.12700	0.4
176.10596	0.3
178.07716	0.7
179.08524	1.7
180.09293	0.3
181.10107	0.9
183.11679	0.5
185.09581	0.4
186.12790	0.7
187.11136	0.4
188.14243	0.4
190.07755	0.4
191.08574	0.6
192.09315	0.7
193.10106	1.2
195.08086	0.3
195.11702	0.7
197.09564	0.4
198.12785	0.6
199.13573	0.4
200.14299	0.9
203.08609	0.6
204.09370	0.5
205.10115	0.8
206.10829	0.3
207.11702	1.1
209.09660	0.3
212.14247	0.5
217.10092	0.5
218.10921	0.3
218.22913	0.3
219.08022	0.3
221.09749	0.4
221.13272	0.7
223.11163	0.6
225.12753	0.3
231.11658	0.4
233.13179	0.6
235.11125	0.6
235.14920	0.3
245.13269	0.3
249.12665	0.7
251.14359	0.3
259.14795	0.3
261.12790	0.4
263.14227	0.4
267.13821	0.3
278.15552	0.5
281.15344	0.4
283.79950	0.3
292.17316	0.2
296.20163	0.3
302.48572	0.3
306.18466	1.3
321.82938	0.3
324.19568	0.3
338.21027	1.2
356.18320	0.3
356.22220	0.8
366.20621	2.0
380.22598	0.3
384.21799	1.2
398.23175	7.8
399.23639	0.3
416.24268	16.6
417.24838	0.4
434.25333	7.8
500.30124	0.7
518.31091	9.4
519.31067	0.6
536.32111	100.0
537.32379	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	537.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01859	8.4
56.11820	1.3
57.03169	1.9
57.03428	18.9
59.04978	2.5
61.02919	18.7
69.03422	34.6
71.01334	5.0
71.04979	3.3
73.02906	100.0
73.04756	1.8
76.58615	1.1
79.05468	1.5
81.03409	5.2
81.07040	2.1
83.01308	1.5
85.02889	96.4
87.04438	6.3
91.03931	5.3
91.05790	2.7
95.04950	2.5
97.02242	2.9
97.02875	57.5
99.04440	4.5
103.03941	4.0
105.03378	10.6
109.02863	9.3
109.06462	1.3
111.04393	2.4
115.03915	34.9
118.94910	1.1
127.03894	25.9
132.06544	2.7
133.04951	37.8
145.04936	53.3
150.07582	9.5
153.06990	4.0
163.05986	16.4
167.05470	1.9
169.04959	1.4
171.07982	8.3
171.33936	1.3
180.08469	1.7
181.05026	1.6
181.06488	11.3
193.04901	1.9
199.07506	14.7
208.07591	4.4
223.05852	3.0
226.08606	2.7
241.06995	6.9
250.08524	7.7
259.08109	5.7
277.08893	2.1
284.03235	1.9
292.09561	1.3
295.10080	3.1
299.06213	5.9
300.06210	4.5
329.19568	1.6
340.11557	2.9
343.11652	2.8
358.12732	13.5
370.12924	1.5
388.13675	2.6
413.03287	1.4
450.22592	1.6
451.22971	5.3
536.32043	2.0
537.26270	21.6
537.32727	4.4
538.23676	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	537.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87742	1.2
53.03955	1.3
56.48790	1.1
57.03427	23.9
59.04996	5.2
60.04515	3.0
61.02921	2.5
62.62361	1.3
65.04375	1.0
67.05503	1.8
69.03419	85.5
69.62110	5.0
71.01337	1.8
73.02908	3.8
73.04750	3.2
75.04466	3.6
79.05467	1.9
81.03421	3.2
85.02895	66.6
87.04455	58.4
91.03918	1.7
91.05837	7.0
95.08591	2.8
97.02880	76.6
99.04430	2.1
105.03357	6.4
105.07052	2.1
107.08539	1.7
109.02879	3.3
109.10139	6.1
111.71759	1.4
115.03915	89.8
116.04228	1.5
127.03891	8.6
132.04430	6.1
133.04951	100.0
145.02931	1.7
145.04953	12.1
149.04529	2.1
150.07602	16.9
157.05206	4.8
163.05954	1.7
165.82655	1.2
167.05524	4.0
168.05721	1.6
169.04982	2.8
171.08011	3.5
172.88737	1.3
177.05441	1.9
181.06529	2.8
185.10651	1.3
199.07564	3.3
209.56299	1.4
226.08603	13.5
241.06972	1.5
250.08560	10.0
259.08084	2.5
264.10416	1.5
292.09985	1.5
295.10178	1.5
299.06021	6.9
300.06143	6.6
322.86633	1.4
340.11765	21.8
341.12155	1.7
345.97589	1.7
358.12762	36.0
359.13095	1.6
451.22928	2.5
478.09488	1.3
523.97577	1.4
537.26495	13.2
537.34912	3.0
538.25745	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
54.34020	1.0
57.03433	2.4
58.06599	3.2
61.02932	1.4
65.03936	3.6
67.05492	2.5
68.42596	1.1
69.03431	4.9
69.07066	1.1
70.06583	1.3
73.02918	2.9
73.04755	1.4
79.05483	3.3
81.03403	2.4
81.07063	2.8
82.06578	1.1
85.02898	10.7
88.73322	1.0
91.05466	2.1
92.04986	2.6
93.07047	3.3
94.06557	1.9
95.04965	1.9
95.08615	2.2
96.08133	3.2
97.02889	5.9
97.06517	1.2
99.08183	1.3
105.07063	1.8
107.08584	6.8
108.08129	7.9
109.10172	1.8
110.09673	5.1
116.04985	3.2
119.08582	2.8
120.04454	8.7
120.05198	1.1
120.08085	5.8
121.06503	1.6
121.10145	2.4
122.05997	5.5
123.11784	1.3
124.07626	1.3
127.03914	2.1
131.08554	2.6
133.04982	1.4
133.10156	2.2
135.08075	1.7
136.07579	6.5
137.05952	12.8
138.09140	7.2
144.04468	8.3
145.05005	1.4
146.06073	1.4
147.11720	1.8
148.03915	100.0
149.04286	2.7
149.09634	1.7
154.08578	1.8
162.05475	6.0
163.14775	2.3
166.04977	20.7
166.08620	18.0
167.05576	1.4
167.06998	2.6
168.79411	1.2
172.03917	38.7
173.04211	1.8
173.13274	2.5
187.07706	1.4
190.04962	8.6
191.14317	4.6
195.21391	1.2
204.06535	74.0
205.06902	1.5
209.15331	3.4
227.11833	2.5
255.11249	15.6
255.13748	1.6
273.12289	12.1
283.10703	15.1
299.06070	2.4
300.06348	2.4
301.11783	69.9
302.12183	2.6
311.12921	1.2
316.35464	1.0
319.12872	3.6
325.11667	2.8
329.14835	2.5
339.13275	1.5
339.53357	1.1
343.12845	49.1
344.13318	1.8
357.14355	11.6
375.15433	2.2
537.22418	1.8
538.30090	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	538.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45716	0.8
53.03944	1.3
55.01847	1.3
55.05500	1.8
57.03431	9.1
58.06600	1.5
59.04967	0.8
61.02913	0.9
65.90228	0.8
67.05479	1.0
68.87132	0.8
69.03407	2.4
71.01363	0.9
71.04984	73.7
71.44111	1.1
73.02898	1.9
75.04460	4.7
79.74659	0.8
81.07063	1.5
83.04975	5.3
85.02894	100.0
86.03237	1.4
87.04455	2.0
91.05807	1.9
95.04945	3.6
95.08580	1.0
96.35867	0.8
97.02869	3.5
99.04446	2.2
101.05968	1.0
103.03960	1.0
104.37352	0.9
105.03379	18.5
107.04848	0.8
109.02817	1.2
109.10056	0.9
110.06020	1.1
111.04446	3.5
125.01528	2.0
127.03876	4.3
129.05460	44.7
145.04945	2.8
146.08130	1.8
147.06490	21.6
162.07524	0.9
164.09171	6.0
167.06270	1.6
169.05179	1.3
180.08560	2.1
255.08377	0.9
279.10568	0.9
299.06180	2.5
301.05865	3.4
303.94394	0.9
340.15433	1.4
417.03784	1.1
474.22128	0.9
538.28369	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	538.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.6
51.02366	1.9
53.03947	2.9
55.01855	0.9
56.05021	0.7
57.03435	0.7
58.06585	2.4
70.07288	0.4
71.04977	1.1
77.03912	3.3
79.05476	0.9
79.81149	0.4
81.03419	0.9
85.02888	12.0
86.51354	0.4
87.04472	0.7
88.07602	0.9
91.05466	2.0
95.04957	16.7
96.05366	0.5
98.23499	0.9
103.05415	0.5
105.03378	100.0
105.04400	7.0
106.03724	1.2
107.04930	1.4
108.08086	1.0
109.06506	0.6
109.08447	0.5
110.33426	0.5
113.05994	0.5
115.05398	0.8
119.04988	0.4
121.06483	1.2
122.06003	0.5
129.07007	0.5
131.08524	0.5
136.07562	0.5
137.25485	0.4
141.07028	0.6
144.08058	1.0
145.08835	0.9
147.04311	0.5
149.05948	0.6
152.06174	0.8
153.06978	0.6
158.09659	0.6
165.06950	2.8
167.08533	5.7
169.06485	0.8
169.08794	0.7
169.10132	0.6
172.07542	1.0
174.09198	0.7
176.06177	1.0
177.06961	10.8
178.07799	3.7
179.08514	8.1
181.06503	0.9
181.08768	1.0
182.09612	1.5
184.07549	1.5
186.09068	1.3
189.06998	1.5
190.07744	2.9
191.08528	9.1
192.09280	1.0
193.06490	0.7
193.10144	1.9
194.07382	0.6
194.09662	0.9
195.08023	18.2
195.09952	0.9
196.08417	0.9
196.11166	0.6
197.08389	0.6
198.09213	0.5
200.10777	0.8
202.07695	2.1
203.08519	3.0
204.32964	0.4
205.06534	1.5
205.10182	0.6
206.07217	0.8
206.09642	1.1
207.08063	9.2
207.10106	0.5
208.11266	0.6
209.09796	0.7
210.09198	1.2
211.09943	0.5
216.10152	0.6
217.10097	0.8
218.07249	1.1
218.09567	0.9
219.08047	9.3
219.10164	1.0
220.09024	0.7
220.11276	1.4
221.09595	1.8
221.11783	0.9
222.09088	0.6
222.12692	1.0
223.07520	5.4
223.09682	0.9
224.10709	1.0
231.08069	1.8
231.10446	1.2
232.09135	0.6
232.11259	1.2
233.09689	1.1
234.06857	0.7
234.09129	1.1
234.12741	1.1
235.07518	12.1
235.09799	1.2
236.08092	0.5
236.10640	1.2
238.12303	0.6
244.11240	0.5
245.09622	0.8
246.09206	0.6
246.12726	1.6
247.07567	2.6
247.09836	0.5
248.10689	1.8
249.09132	3.2
249.11378	0.7
250.12285	2.1
251.07053	0.7
251.10640	1.5
252.10004	0.6
259.07523	2.0
260.10825	0.9
261.09091	0.8
262.12247	1.3
263.10587	1.6
264.10068	0.8
264.13849	1.0
266.11548	0.8
267.10052	0.8
274.12244	0.8
276.10083	0.9
277.08469	2.2
278.11688	1.2
278.15308	0.8
279.10068	2.5
288.93668	0.5
290.11813	0.6
291.10114	1.3
292.13306	1.8
296.12683	0.7
306.11511	0.4
306.14890	0.8
308.12738	0.7
309.11172	1.0
320.12903	1.6
322.14377	1.4
324.15991	1.4
327.12390	0.4
334.14331	0.6
338.17419	1.8
352.15347	5.1
356.18369	0.7
366.17004	2.6
384.18011	6.1
401.13541	2.2
403.15396	1.0
417.24670	0.5
431.14990	3.4
431.26126	0.7
432.26236	0.9
438.92438	0.5
463.17535	1.0
474.19174	1.4
506.21628	19.5
507.21927	1.1
520.31580	1.1
531.17926	0.5
537.32526	5.7
538.24225	5.2
538.32758	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	538.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01865	4.3
55.05497	8.0
57.03440	6.9
57.07066	2.7
59.04992	1.7
61.02920	5.3
67.05489	6.4
68.03362	1.2
69.03429	15.7
69.07067	4.3
69.36659	6.7
71.04966	2.0
73.02909	27.6
79.05495	7.5
81.03406	2.6
81.07037	17.0
83.04967	13.4
83.08595	9.6
85.02891	24.0
85.06533	4.3
87.04447	4.4
91.05483	5.8
93.07021	9.7
94.78198	1.6
95.04958	12.4
95.08585	8.6
97.02882	19.9
97.06521	6.7
98.22654	3.1
99.04445	5.0
99.08053	1.8
105.07002	10.6
107.08592	18.4
109.02843	2.2
109.06506	18.6
109.10139	32.9
111.08099	4.3
113.09631	1.9
115.03911	10.2
115.07574	3.2
119.08567	6.6
121.10130	21.2
123.08079	5.9
123.11687	8.2
125.09649	5.4
127.03892	7.3
127.07526	1.9
131.08531	9.1
133.04933	11.7
133.10106	41.9
135.08043	4.7
135.11670	3.3
137.13200	3.0
139.11157	3.6
140.71918	1.3
143.08585	2.3
145.04919	10.8
145.10086	3.6
147.11702	7.2
149.13266	11.9
151.11162	13.1
153.09105	11.1
158.10887	2.2
163.06003	3.4
163.14821	5.7
165.12729	6.6
167.14299	11.0
173.13226	26.7
175.14807	6.9
181.12427	1.6
181.15901	1.7
191.14290	27.7
191.15916	2.2
209.15338	100.0
223.06017	2.6
227.16411	16.5
259.08304	2.9
281.23761	1.5
299.39651	1.5
341.19580	3.7
371.21198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05504	16.2
57.03434	4.4
58.06598	1.4
61.02911	4.0
63.69756	1.0
67.05505	2.1
69.03421	7.5
69.07045	2.0
69.31618	4.9
69.32017	1.9
71.01347	1.3
71.04986	1.3
73.02914	15.7
73.62178	1.0
79.05485	2.0
81.07029	3.2
83.04970	15.9
83.08612	10.8
85.02891	16.1
85.10941	0.9
87.04440	1.9
89.77187	0.9
91.87022	1.0
93.07035	2.6
95.04967	3.4
95.08598	1.7
97.02879	12.9
97.06527	2.6
97.10150	1.9
99.05524	1.2
105.07001	1.8
107.08573	6.9
109.02874	1.6
109.06480	2.8
109.10105	7.5
111.08082	1.9
113.09625	1.2
115.03899	5.1
121.10109	3.5
123.08044	2.0
123.11697	3.5
125.09628	3.8
127.03899	4.1
132.26279	1.1
133.04932	5.4
133.10118	4.6
134.77020	1.1
135.08064	3.3
145.04971	5.0
147.11574	1.2
149.13245	2.5
151.11166	19.5
163.06013	3.0
167.14294	25.1
169.12221	1.8
173.08192	1.8
173.13258	2.1
181.12282	1.8
191.14279	4.5
204.92981	1.1
209.15334	100.0
210.15689	3.5
213.88312	1.1
223.06123	1.2
227.16391	2.4
227.36263	1.2
241.07045	2.4
259.08148	3.0
295.10239	2.0
341.19568	4.0
348.78287	1.1
366.21765	1.2
395.37726	1.1
432.23584	1.2
436.82864	1.0
518.66089	1.1
520.28809	1.3
538.30219	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	538.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69139	0.3
54.45731	0.3
56.04974	1.6
56.60818	0.3
58.06539	9.7
66.01816	0.3
67.05453	0.6
69.03387	0.4
69.07008	0.3
70.06548	0.4
70.62246	0.6
72.08134	2.1
73.02869	0.6
79.05431	1.4
80.94585	0.3
81.03351	0.4
81.06993	1.2
82.06509	0.4
83.04930	0.4
84.08078	1.1
85.02890	1.9
86.09639	0.5
91.05425	1.8
93.07024	1.8
95.04882	0.4
95.08550	0.9
97.02821	1.0
97.06470	0.3
98.03704	0.3
98.09673	2.4
99.00771	0.4
105.07011	1.7
107.04886	0.3
107.08582	1.7
109.06456	0.5
110.09660	1.8
119.04861	0.9
119.08554	1.4
121.06434	0.6
121.10115	1.9
121.71262	0.2
122.09600	0.7
123.04380	0.3
124.11185	2.4
127.03876	0.4
129.06967	0.6
131.08545	1.5
133.10092	1.6
135.04350	0.7
135.11610	0.6
137.05885	0.6
137.09576	0.5
143.08481	1.2
145.04807	0.4
145.10036	1.4
147.04317	0.4
147.11620	0.7
149.13177	0.5
155.08525	0.7
157.10075	1.7
159.11626	0.7
163.03821	0.9
165.06894	1.1
167.05544	0.4
169.10069	0.9
170.11177	0.3
171.11559	1.1
173.13226	3.3
179.08514	0.4
181.10132	0.4
183.08037	1.9
183.11568	0.7
187.26768	0.3
191.14191	1.5
195.11607	0.6
201.16304	1.1
209.13235	0.5
209.15170	0.6
211.07515	1.9
211.14749	0.8
223.14778	0.5
227.16209	0.6
228.07730	0.7
229.15834	0.5
235.07446	0.9
243.10103	5.6
244.10417	0.3
251.17789	0.5
257.15393	0.5
263.07159	0.4
267.10168	0.3
283.16870	0.4
295.09610	1.4
295.16980	0.6
297.18365	0.6
299.06024	0.4
311.19910	0.4
312.23041	0.4
323.09125	1.5
330.20642	1.6
340.22650	6.3
345.06985	0.4
358.23691	38.3
359.23969	1.9
376.24744	100.0
377.09738	1.4
377.25153	4.1
394.41205	0.3
520.29034	1.0
538.30029	60.3
539.15356	0.5
539.30536	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	538.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.3
67.05495	20.9
69.03426	5.0
69.07082	1.7
69.25672	6.3
71.04998	5.0
73.04723	3.2
79.05484	3.9
81.07053	18.2
83.04975	3.7
85.02922	1.7
91.05475	6.3
93.07018	10.5
95.04951	9.7
95.08601	4.6
97.02868	15.5
97.06519	3.0
99.04450	1.5
105.04459	1.8
105.06998	11.4
107.08575	7.0
109.06517	4.5
109.10167	2.4
111.04455	6.1
111.08090	2.9
113.06013	4.0
117.07017	5.3
119.04932	2.2
119.08562	60.3
121.06496	2.7
121.10143	2.6
123.04445	2.7
123.08064	2.4
128.06281	2.1
129.06979	3.3
130.86583	1.2
131.08571	5.3
133.10132	10.1
135.08055	3.9
137.05945	2.1
137.09653	1.4
139.07536	1.8
141.05424	12.7
141.07045	1.7
142.07748	3.9
143.08511	8.2
145.06496	1.7
145.10117	10.2
147.11703	1.8
149.09615	2.5
151.07507	1.8
155.07030	26.2
155.08519	5.7
156.09329	4.4
157.10127	16.7
158.10847	2.5
159.07967	2.5
159.11658	16.2
161.09636	3.9
162.23315	1.3
165.07053	2.4
167.05539	5.1
167.08473	3.0
169.10094	12.5
170.10963	6.4
171.11655	17.0
173.09602	2.6
173.13240	14.5
175.11195	2.8
177.09081	2.5
179.08469	3.1
181.10092	3.5
182.10837	3.3
183.11685	12.0
184.12479	4.6
185.09628	6.0
185.13165	9.2
187.11214	3.3
187.14786	2.3
192.09305	1.7
193.10132	7.0
194.10916	3.6
195.11646	8.4
196.12453	2.4
197.13228	27.3
198.13930	1.7
199.14867	2.6
201.12698	11.0
203.14333	2.0
205.10078	3.8
206.10933	3.7
207.11678	6.9
209.09792	1.3
209.13269	9.5
210.13966	2.6
211.11218	3.7
211.14761	13.8
215.14291	4.4
219.11705	2.9
220.12421	22.0
221.13251	8.1
223.14764	4.6
225.16310	13.0
229.12102	1.9
234.14069	4.5
235.14780	37.9
238.13326	1.9
239.17894	2.1
249.16376	9.6
251.14290	2.8
253.15865	13.4
255.13870	4.1
267.17490	4.2
271.16934	9.8
277.15854	5.0
280.14639	2.5
283.02856	1.6
285.18585	4.1
285.69531	1.5
295.16864	23.9
299.06226	3.9
300.06177	2.3
301.05804	7.2
313.17920	100.0
314.18164	4.3
331.18973	13.8
411.36813	1.4
416.23749	1.4
417.03674	3.3
495.14392	1.6
538.30023	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	538.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05506	1.5
56.05021	0.9
57.03432	0.9
58.06595	7.3
65.03919	0.7
67.05503	1.1
69.03429	1.8
69.07043	1.0
69.22774	1.1
69.23185	2.4
70.06605	0.8
71.04966	1.5
71.33377	0.6
72.08133	1.3
73.02892	0.6
74.87770	0.5
79.05492	2.7
79.63541	0.6
81.03424	2.3
81.07060	2.8
83.04964	0.8
83.08593	1.0
84.08144	0.9
85.02894	6.1
86.06043	0.6
86.16613	0.6
91.05446	3.4
93.07047	1.5
95.04938	1.9
95.08618	1.7
97.02871	2.0
99.04453	1.2
103.03915	1.0
103.05463	0.7
105.03400	1.0
105.06980	2.9
107.04956	1.5
107.08605	0.9
108.08110	2.3
109.02885	0.9
109.06514	1.1
109.10161	1.6
111.04475	1.1
115.05443	1.6
117.07009	1.5
119.04924	1.5
119.08585	0.7
119.85812	0.6
121.06548	0.7
121.10128	1.2
122.09662	1.5
123.11706	1.0
123.75111	0.6
125.06017	0.9
127.03915	2.6
128.06245	0.7
129.06998	3.6
131.04926	1.1
131.08569	2.4
133.10126	1.4
137.02301	0.6
137.05965	15.9
141.07013	1.6
143.04921	1.4
143.08527	1.5
145.05006	1.2
145.06506	0.7
147.04456	1.0
147.08046	0.9
151.03870	0.7
153.05531	0.9
153.06992	0.8
154.12254	1.1
155.08566	2.1
157.10094	0.7
160.05223	2.7
165.06960	1.2
166.07732	0.7
167.08580	1.7
169.10065	0.6
175.07521	16.7
177.16382	2.3
178.07713	1.3
179.08609	1.5
181.06535	0.8
181.10086	0.8
183.08084	0.9
187.07521	6.0
189.09109	1.3
191.08566	1.0
192.09314	0.9
193.10110	1.0
196.20651	3.6
200.14398	1.8
205.08585	3.0
205.10280	0.8
207.11713	0.9
209.09502	0.7
209.13402	0.8
209.15291	1.3
214.21635	1.8
217.10204	0.7
221.13268	1.1
231.08144	0.9
232.22647	4.2
235.09651	2.1
239.07024	0.7
245.17648	1.4
247.11226	0.8
249.12752	1.3
265.12399	0.7
270.09076	0.8
284.06967	0.7
291.10089	0.9
299.09238	1.7
311.12970	0.7
323.12897	1.0
327.15863	1.3
344.14633	0.8
354.20511	1.1
364.18900	0.8
368.22186	0.9
386.23209	4.9
396.21774	3.0
400.24805	1.2
404.24072	0.7
414.22855	2.0
418.25916	8.7
428.24164	0.9
446.25330	9.3
447.25891	1.3
458.94119	0.6
478.27911	18.5
479.28323	0.7
520.29358	0.9
538.30090	100.0
539.30359	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83793	0.7
53.03922	1.0
57.96776	0.7
58.06585	4.0
59.04996	0.8
67.05507	1.3
67.99424	0.7
69.03442	1.3
69.07067	1.0
71.04990	3.4
72.08157	2.8
73.04747	1.3
75.04473	5.5
77.03943	0.7
79.05489	2.0
81.07034	2.2
85.02888	3.9
85.06531	1.7
91.05376	1.1
91.05838	2.5
93.07060	1.4
95.04969	2.7
96.67696	0.7
97.02855	1.0
103.87425	0.8
105.03375	20.6
105.04549	2.1
105.07028	2.2
108.08105	1.5
109.06522	3.2
115.03916	1.3
117.07051	1.1
121.06556	1.1
121.08904	1.3
129.06985	1.0
131.08551	1.3
134.09747	0.9
135.10442	2.0
141.09030	0.8
143.08551	1.1
147.08066	3.4
148.11218	1.9
149.11975	1.7
151.20363	0.8
152.10756	1.2
155.08559	1.3
157.10126	0.8
162.12761	0.9
165.07004	1.0
167.05617	3.1
167.08591	2.6
172.11241	1.4
177.09102	1.1
178.07768	0.8
178.12350	2.2
179.08583	2.3
181.10138	1.3
192.09337	1.1
193.14667	2.0
194.10936	1.5
195.11685	1.7
197.09691	1.5
199.11195	1.1
203.08609	0.9
205.10258	1.2
206.15378	11.9
207.11761	1.7
207.16121	1.5
208.11218	1.1
208.13255	0.9
209.09636	2.7
209.13289	8.7
222.12796	1.9
226.12173	1.1
230.15428	0.8
231.11494	1.0
238.12215	0.9
250.16052	1.3
255.81920	0.8
263.14276	0.8
266.15463	1.2
268.16888	1.0
280.16995	2.5
281.17801	0.9
282.18518	2.0
292.19238	1.5
294.18466	1.6
299.06216	3.0
300.06409	1.1
301.06067	3.0
306.18530	1.1
308.20004	1.3
312.19653	1.1
324.19534	1.7
326.21103	1.9
338.21289	4.6
339.21902	2.9
340.22662	4.4
346.97696	1.3
352.22992	1.0
356.22012	4.6
370.23935	1.6
372.25244	1.3
384.25427	4.6
388.24734	6.3
402.20694	3.5
416.28058	2.4
417.03900	1.1
420.21164	0.9
428.22275	2.4
434.23215	14.8
446.23285	1.3
448.25067	3.0
460.24985	2.3
462.16196	1.0
462.26642	1.8
474.26099	3.9
478.25851	2.8
491.26636	1.0
492.27426	3.8
506.28961	33.5
507.29681	2.4
538.31689	100.0
539.32367	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	539.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58034	1.2
58.99847	2.0
62.19752	1.1
62.74898	1.1
69.03410	2.2
69.90757	2.2
70.99841	1.4
71.82212	1.3
73.96926	1.4
77.00915	2.0
80.01952	1.2
81.03432	1.1
82.99872	4.5
94.99808	1.5
97.02876	2.1
98.22717	2.1
98.97590	1.9
101.00863	36.7
102.00893	1.7
113.00854	7.6
119.01903	54.9
120.01987	1.8
127.02421	3.9
129.03986	3.2
131.01881	23.2
137.02950	4.3
139.02454	1.5
143.01878	37.3
143.02960	2.4
145.03448	18.0
147.01353	2.5
147.05028	1.7
149.02913	2.5
155.01865	26.4
155.03009	2.1
157.03450	10.5
158.99625	2.1
161.02927	32.3
163.04504	4.0
167.01860	17.6
169.03459	4.8
171.01225	1.5
171.04999	6.2
173.02925	36.6
175.04483	2.4
179.01846	5.4
185.02927	74.4
186.03140	2.7
187.04547	7.2
189.02383	2.0
191.03973	2.4
195.01384	2.4
197.02931	18.4
203.03987	18.8
209.02957	3.0
211.04706	1.7
213.02417	34.6
215.03938	10.3
219.01822	2.3
221.03091	1.7
221.05042	7.0
225.02435	9.5
227.03976	10.6
229.05368	1.6
231.03465	30.0
237.02547	2.9
239.00294	8.7
239.04024	2.7
243.03474	3.8
244.90195	2.7
245.05028	100.0
246.05219	4.3
251.00420	2.1
255.03452	6.9
257.01376	56.1
257.04965	6.3
258.01495	1.9
263.06058	12.5
267.03516	4.2
269.01361	4.5
273.04599	2.6
275.02463	48.8
275.06024	15.1
276.02701	3.4
276.21982	1.2
281.06998	2.5
287.02386	9.2
292.48349	1.2
293.07068	5.7
297.04520	3.2
299.02536	2.6
300.86841	1.9
305.03482	5.2
305.07138	11.0
315.05594	6.1
317.03491	18.0
326.84854	1.7
335.04755	3.0
335.08243	4.5
341.03470	8.9
347.08270	1.4
359.04498	41.6
360.04892	2.5
365.09229	12.7
377.05594	45.7
377.09302	1.6
378.05957	1.4
493.20273	1.2
521.09583	3.4
539.10614	15.8
539.17255	1.4
540.11005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99870	1.3
64.62490	0.8
68.98313	0.7
71.23216	0.8
71.44575	1.4
77.00894	1.6
81.03378	0.9
82.99892	2.7
83.84011	0.8
86.99315	1.0
91.05775	1.0
97.02865	1.2
98.97575	1.4
101.00863	21.0
109.02874	2.0
113.00861	3.8
119.01901	54.3
120.01976	1.3
127.02424	2.5
129.03972	1.5
131.01884	19.4
131.25603	0.9
133.03455	2.1
137.02931	6.5
139.02403	2.0
143.01881	26.0
145.03450	16.8
147.01413	2.5
149.02946	3.7
155.01866	20.3
157.03452	12.0
161.02943	32.4
163.04526	3.1
167.01860	11.9
167.05423	1.2
168.12523	1.0
169.03444	6.2
171.01389	2.0
171.05031	4.0
173.02940	35.9
175.04521	2.9
179.01799	4.1
181.03537	1.2
185.02924	63.0
186.03119	2.0
187.04480	8.8
189.02466	1.4
191.03992	3.4
195.01392	2.4
195.05029	1.0
197.02917	19.2
198.03209	1.1
203.03952	19.3
209.02957	2.6
211.04494	1.3
213.00336	1.3
213.02394	25.3
214.95445	2.4
215.00511	1.1
215.03981	9.8
219.01527	1.1
221.03056	1.8
221.04982	7.1
223.04491	1.4
225.02422	6.6
227.03976	10.6
229.05446	1.0
229.47800	1.1
231.03461	29.9
232.03705	0.9
232.96428	5.5
233.01434	1.2
233.04990	1.7
237.02443	4.2
239.00380	4.8
239.04066	2.6
243.03511	4.8
245.05025	100.0
246.05206	3.3
249.02477	1.3
250.97769	1.3
251.00328	1.9
255.03487	4.9
257.01382	42.8
257.04999	4.8
258.01593	2.2
263.06082	13.6
267.03595	2.1
268.96490	1.1
269.01389	3.1
274.97711	1.4
275.02469	45.6
275.06055	13.1
276.02606	1.7
279.03644	1.0
286.97552	2.7
287.02393	9.3
293.07077	5.0
297.04446	2.1
299.02536	3.5
304.98483	1.9
305.03528	3.3
305.07144	11.3
315.05536	3.5
317.03555	15.7
317.07007	1.4
333.06638	1.6
334.99884	1.1
335.04474	2.5
335.08206	3.8
341.03439	6.2
358.99924	2.4
359.04498	35.4
360.04755	2.0
365.09195	11.9
371.16077	1.0
377.00790	2.1
377.05548	40.6
377.09332	1.5
378.05649	2.5
383.10287	0.9
395.06744	1.2
460.74777	0.9
521.09583	2.9
539.10956	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	539.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
60.02597	0.7
62.57439	0.8
69.76242	2.1
83.89692	0.8
98.97573	2.4
112.99165	0.9
131.00179	1.6
135.19951	0.8
151.42102	0.7
158.99641	0.9
177.00743	0.9
199.59917	0.8
270.07742	0.9
293.05350	1.2
303.12857	1.1
321.13715	5.5
363.14673	1.4
539.22430	100.0
540.22589	4.1
541.74786	0.8
550.34100	0.9
555.40228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2698
Annotation	Alangionoside O
Peak:m/z	Relative Intensity
55.05502	21.2
61.02922	4.1
69.03424	10.6
69.07069	4.7
69.33068	16.1
73.02907	10.2
79.05490	6.2
81.03414	4.3
81.07048	4.5
83.04989	8.0
83.08619	9.8
85.02903	16.4
91.05509	4.0
93.07027	20.8
95.04963	19.3
95.08573	5.1
97.02879	10.0
97.06525	6.4
99.04473	8.5
105.07052	6.9
107.08566	17.4
109.06519	5.3
109.10193	6.6
111.08092	4.6
115.07571	8.4
119.08601	5.3
121.10152	44.5
122.10392	5.6
125.09608	3.9
125.20609	3.5
127.03972	3.5
133.04965	5.7
133.10164	14.0
135.08076	6.8
135.11621	6.5
145.04930	3.9
151.11160	9.1
153.09117	10.5
156.90332	3.5
159.43094	3.2
163.14827	15.7
167.14319	15.6
173.13266	12.3
174.13576	4.2
183.39119	4.3
191.14334	18.3
192.14642	8.2
209.15321	100.0
210.15775	5.5
227.16467	7.9
229.71733	3.3
276.90372	3.4
286.33185	3.4
377.25131	7.8
390.83060	4.1
430.80576	3.7
539.30237	8.0
542.53656	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	539.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15625	0.5
55.05502	1.1
56.43754	0.5
57.07056	0.8
59.30188	0.5
67.05489	2.2
69.07070	1.3
71.08632	0.9
74.34480	0.5
79.05479	1.0
81.07047	2.2
83.08629	0.7
92.61053	0.5
93.07024	1.2
95.08603	1.1
97.10162	1.0
105.07054	0.6
107.08582	0.9
111.04401	0.6
114.34718	0.5
119.08555	0.8
121.10149	0.7
129.06918	0.6
131.08643	0.7
145.10100	0.6
157.10310	0.6
209.11734	1.7
212.71420	0.6
229.35277	0.8
232.60707	0.6
263.68243	0.5
283.15472	0.6
300.06213	0.6
301.05615	0.6
302.06293	0.6
389.61380	0.6
421.32507	0.6
539.31787	100.0
540.32355	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	539.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62524	0.2
55.05497	1.1
57.07078	0.3
64.26377	0.3
66.94543	0.2
67.05510	1.6
69.07055	0.6
69.73104	0.9
71.08594	0.2
79.05476	1.4
79.64703	0.3
81.07041	1.8
83.04955	0.3
83.08607	0.6
91.05450	0.9
93.07029	1.2
95.04950	0.7
95.08588	0.9
97.06489	0.4
98.22794	0.3
99.18002	0.3
100.69569	0.2
105.07031	0.8
107.04932	0.3
107.08566	0.6
109.10134	0.6
109.20720	0.2
113.98755	0.2
117.07040	0.3
119.08546	0.8
129.06967	0.5
131.08539	0.7
133.10156	0.4
140.35130	0.2
141.06964	0.3
143.08533	0.4
145.10130	0.6
152.01869	0.2
155.08549	0.3
157.06734	0.2
157.10132	0.2
159.11624	0.3
167.08578	0.3
169.10089	0.4
171.11636	0.3
181.10124	0.3
183.11598	0.3
183.95351	0.3
185.04160	0.6
185.13271	0.3
195.11777	0.2
197.13225	0.5
203.05261	0.9
223.95271	0.2
259.07889	0.5
275.20099	0.3
299.06097	0.3
301.06171	0.3
321.22815	0.4
407.93741	0.3
447.32355	0.5
539.31763	100.0
540.32172	4.5
561.97351	0.3
566.48730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.6
55.05496	1.2
57.03434	1.0
58.06578	2.5
58.83652	1.1
61.02925	1.2
67.05491	1.6
69.03414	4.4
73.02892	1.5
76.19501	1.1
79.05478	1.4
81.03419	1.7
81.07028	3.0
85.02890	11.4
86.68204	1.0
87.04464	1.0
91.05460	10.2
93.55411	0.9
94.04176	1.5
95.04943	2.9
95.08605	1.1
97.02852	4.4
103.05456	1.6
105.03374	2.9
105.07013	1.2
107.04920	2.3
109.06481	2.3
109.10123	1.1
117.06973	1.5
119.04931	8.1
121.06456	2.8
122.03597	2.6
123.04509	1.1
127.03907	1.6
129.07002	6.1
131.04895	3.2
133.06477	1.3
135.08028	2.2
136.05156	1.2
137.05954	43.0
145.06511	1.6
147.08125	0.9
149.05954	6.4
151.03755	1.3
151.07520	53.2
157.06462	6.4
161.05971	7.3
161.09602	2.3
163.03912	1.2
163.07520	14.9
165.06985	3.3
165.09090	2.1
167.08499	6.3
168.64464	0.9
171.07964	1.0
174.06766	3.5
175.07524	3.2
177.09113	5.5
178.07802	1.5
181.06564	1.5
189.09084	15.4
192.09276	0.9
193.06476	2.8
193.10114	3.3
195.08009	11.7
197.05870	1.5
199.11166	0.9
207.08226	1.0
207.10149	3.5
209.09637	2.2
210.06738	2.9
210.22136	2.5
211.07588	1.6
211.16914	1.8
212.08406	1.6
220.08762	1.1
221.05893	3.8
221.09578	4.0
221.11510	1.1
223.07513	5.7
224.08337	1.4
225.09050	3.7
227.06923	1.4
227.10645	17.7
228.23212	2.5
237.09192	1.4
238.06166	2.5
240.07686	2.2
246.24199	3.7
249.09036	4.1
253.08565	5.6
253.12206	8.5
254.09238	1.0
255.10141	15.5
267.10178	2.7
269.08188	1.4
272.10385	2.4
281.11667	2.8
285.11133	11.6
287.12729	26.3
299.12830	1.0
301.14230	1.2
311.13031	1.1
313.14279	28.6
314.14648	1.1
331.15338	100.0
332.15671	3.0
343.15540	4.3
408.29346	2.9
475.29135	0.9
540.18628	5.2
540.31012	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	540.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
58.06559	0.8
68.02449	0.7
69.03414	1.5
69.68261	1.6
69.68640	2.0
73.02898	1.3
79.05476	1.1
81.07052	1.6
85.02903	3.9
91.05463	3.0
93.06999	1.0
94.04153	0.9
95.04977	1.2
95.08598	1.9
97.02884	1.6
103.05461	6.5
105.03374	2.7
105.06985	1.9
107.04938	0.9
107.08597	1.3
109.06483	0.8
109.10142	2.1
115.05444	1.3
117.06984	2.9
119.04930	2.4
121.06467	0.9
122.03632	1.6
129.06953	1.6
131.04909	13.5
133.10101	1.1
135.07999	1.4
137.05956	22.2
145.04935	0.9
145.06433	1.6
149.05977	1.5
151.07520	14.4
157.06444	1.7
161.05992	2.5
162.06664	2.1
163.07516	42.6
167.08617	1.0
175.07504	4.0
175.14804	1.1
176.20052	0.9
177.09082	100.0
178.07813	1.0
178.09381	2.6
189.09016	4.2
193.15855	2.6
195.08011	2.5
195.10124	2.2
211.07690	1.0
211.16896	5.8
221.09671	1.0
221.11671	14.2
223.07472	1.5
225.08989	1.2
227.10628	3.7
246.24303	2.0
251.62750	0.9
253.08632	1.8
253.12059	1.2
255.10184	3.5
265.08578	1.3
285.11136	2.4
287.12720	5.6
311.12708	2.4
313.14267	6.4
326.42392	0.8
331.15311	16.7
343.15271	3.1
408.29416	0.9
540.28125	6.0
560.61316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39173	1.7
55.01853	3.0
55.05501	11.1
56.05832	4.0
57.03428	4.9
61.02914	3.9
67.05492	4.6
69.03415	9.9
69.07048	6.2
69.33698	7.1
70.06576	4.1
71.16391	1.7
73.02892	12.6
79.05485	2.0
81.03417	2.3
81.07041	7.1
83.04962	8.4
83.08605	6.8
83.84151	1.8
84.05299	3.5
85.02896	20.3
86.03218	2.8
90.98604	2.0
91.05464	12.7
93.07045	4.4
95.04935	5.9
95.08604	4.8
97.02878	10.7
97.10140	1.9
98.03215	1.9
103.05405	2.8
107.08598	5.5
109.02853	2.9
109.06520	2.6
109.10141	5.5
110.10498	2.1
111.08047	2.7
115.03940	4.6
115.05460	2.2
119.04919	9.2
119.08531	2.5
121.06483	2.6
122.03644	2.3
123.11669	2.1
125.05921	2.2
125.09592	4.3
127.03897	2.3
128.06180	3.1
129.06972	13.0
131.04915	4.8
131.08566	12.4
133.04961	5.3
133.10124	3.4
134.10535	2.9
135.08064	2.8
137.05962	47.0
141.06946	5.9
141.24774	2.0
145.04980	3.1
145.06554	3.1
149.05945	10.4
151.07526	57.7
151.11150	8.0
152.11504	3.0
157.06439	9.4
158.07190	3.8
159.08029	7.1
161.05963	8.4
163.06187	2.4
163.07465	11.8
165.09064	2.6
167.08556	5.8
167.14301	10.4
168.14650	6.9
169.06490	3.7
170.07315	3.4
174.06732	22.6
175.07489	7.6
177.09081	3.9
186.06706	6.0
189.09068	46.6
193.06432	3.0
195.08078	9.3
201.09050	12.1
207.10228	2.6
209.15315	24.4
210.06612	2.3
210.15669	15.5
210.22122	20.9
211.15959	7.9
219.10136	100.0
220.10489	3.1
221.05948	4.0
221.09570	4.6
223.07510	5.9
225.09033	4.8
227.10576	19.3
228.23183	14.6
246.24257	3.2
249.08888	2.5
253.08586	7.3
253.12274	6.6
255.10103	18.2
265.19580	2.0
269.11591	2.2
281.11783	4.5
285.11215	10.0
287.12766	24.9
313.14285	25.2
326.33368	2.0
331.15350	60.1
428.79758	2.2
537.94043	2.1
540.32324	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	540.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.5
51.02359	1.5
52.77264	0.5
53.03918	2.2
56.05020	1.0
56.71814	0.5
58.06596	4.8
67.05489	1.3
69.03413	0.5
69.07033	0.5
69.20150	2.4
70.06597	0.5
72.08125	0.5
75.04469	0.7
77.03924	2.5
79.05461	1.6
81.07039	1.5
82.06535	0.7
84.08131	1.4
85.02898	1.3
85.06513	0.6
91.05471	2.8
93.07044	1.1
94.63335	0.6
95.04953	13.9
95.08583	1.3
98.09657	0.9
105.03380	100.0
105.04394	5.3
105.07011	1.6
106.03700	2.6
107.04963	0.8
108.08107	1.8
115.05424	0.6
117.07030	1.1
118.06544	0.8
119.08598	0.5
121.06516	1.0
122.09647	1.2
128.06226	1.3
129.07018	1.5
131.08543	0.8
133.10190	0.7
135.04469	2.0
136.07576	2.4
137.06026	0.6
141.07007	1.8
143.08601	1.3
145.06577	0.5
145.10092	0.8
147.11568	0.5
148.07545	3.2
153.07004	0.9
155.08611	1.6
157.06662	0.9
158.07260	0.6
158.09706	0.6
159.08107	1.1
165.07042	1.4
166.08646	8.7
167.08606	2.0
168.10219	2.9
169.10196	1.0
171.11673	0.7
173.08296	0.5
173.09671	2.2
175.14851	0.6
178.07845	1.6
179.08592	1.8
180.09340	0.7
181.10187	1.5
190.07788	0.7
191.08591	1.0
192.09352	0.8
193.10112	0.8
193.15936	1.0
195.08139	1.0
195.11803	0.9
196.11200	0.6
203.08620	0.6
205.10208	1.4
206.15413	0.7
207.08270	1.0
207.11688	1.2
209.09671	1.1
211.17021	1.9
219.08031	0.7
223.11201	0.7
225.36339	0.5
233.09731	1.1
251.10545	1.2
261.09515	0.5
265.12311	0.8
279.10333	1.3
289.18994	0.6
304.20737	0.7
311.13086	0.9
322.21893	1.5
326.17776	0.6
336.79437	0.5
340.19135	1.3
340.22949	0.9
349.79935	0.5
386.23468	1.3
401.14120	0.7
418.26376	2.2
433.16782	0.9
444.25879	0.7
462.26746	1.1
476.20538	8.8
504.27771	1.2
508.23605	2.8
508.28781	0.5
522.28448	19.4
523.29272	0.7
540.29993	53.1
541.30621	3.0
544.33325	0.6
557.32062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.5
51.02359	1.5
52.77264	0.5
53.03918	2.2
56.05020	1.0
56.71814	0.5
58.06596	4.8
67.05489	1.3
69.03413	0.5
69.07033	0.5
69.20150	2.4
70.06597	0.5
72.08125	0.5
75.04469	0.7
77.03924	2.5
79.05461	1.6
81.07039	1.5
82.06535	0.7
84.08131	1.4
85.02898	1.3
85.06513	0.6
91.05471	2.8
93.07044	1.1
94.63335	0.6
95.04953	13.9
95.08583	1.3
98.09657	0.9
105.03380	100.0
105.04394	5.3
105.07011	1.6
106.03700	2.6
107.04963	0.8
108.08107	1.8
115.05424	0.6
117.07030	1.1
118.06544	0.8
119.08598	0.5
121.06516	1.0
122.09647	1.2
128.06226	1.3
129.07018	1.5
131.08543	0.8
133.10190	0.7
135.04469	2.0
136.07576	2.4
137.06026	0.6
141.07007	1.8
143.08601	1.3
145.06577	0.5
145.10092	0.8
147.11568	0.5
148.07545	3.2
153.07004	0.9
155.08611	1.6
157.06662	0.9
158.07260	0.6
158.09706	0.6
159.08107	1.1
165.07042	1.4
166.08646	8.7
167.08606	2.0
168.10219	2.9
169.10196	1.0
171.11673	0.7
173.08296	0.5
173.09671	2.2
175.14851	0.6
178.07845	1.6
179.08592	1.8
180.09340	0.7
181.10187	1.5
190.07788	0.7
191.08591	1.0
192.09352	0.8
193.10112	0.8
193.15936	1.0
195.08139	1.0
195.11803	0.9
196.11200	0.6
203.08620	0.6
205.10208	1.4
206.15413	0.7
207.08270	1.0
207.11688	1.2
209.09671	1.1
211.17021	1.9
219.08031	0.7
223.11201	0.7
225.36339	0.5
233.09731	1.1
251.10545	1.2
261.09515	0.5
265.12311	0.8
279.10333	1.3
289.18994	0.6
304.20737	0.7
311.13086	0.9
322.21893	1.5
326.17776	0.6
336.79437	0.5
340.19135	1.3
340.22949	0.9
349.79935	0.5
386.23468	1.3
401.14120	0.7
418.26376	2.2
433.16782	0.9
444.25879	0.7
462.26746	1.1
476.20538	8.8
504.27771	1.2
508.23605	2.8
508.28781	0.5
522.28448	19.4
523.29272	0.7
540.29993	53.1
541.30621	3.0
544.33325	0.6
557.32062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03929	1.0
55.05481	0.3
56.05028	1.6
58.06596	4.6
67.05489	0.9
70.06576	0.5
72.08139	2.8
77.03908	1.3
77.69030	0.3
79.05484	1.4
81.07047	1.2
82.06552	0.4
84.08134	2.4
91.05466	2.0
93.07023	0.9
95.04952	4.4
95.08602	1.0
98.09686	1.7
105.03376	33.9
105.04517	1.8
105.07013	1.8
106.03730	0.5
107.08584	0.4
108.08109	0.4
109.10141	0.4
110.09664	1.0
115.05467	0.4
117.04346	0.3
117.07018	0.9
119.08549	1.0
122.09647	0.4
124.11239	0.4
129.06981	1.3
131.08542	0.9
141.06982	1.1
143.08556	1.6
145.10121	0.9
145.65247	0.3
147.11635	0.3
153.06924	0.4
154.07761	0.5
155.08514	1.9
157.08952	0.3
157.10115	1.3
159.11617	0.5
165.06990	1.0
166.07748	0.7
167.08522	1.9
168.09323	0.5
169.10109	1.5
171.11690	0.6
172.11221	1.0
178.07726	0.6
179.08522	2.0
180.09363	0.5
181.10066	2.1
183.11740	1.1
186.12799	0.6
188.14413	0.4
191.08551	0.9
192.09290	0.6
193.10135	1.4
193.85172	0.3
195.11658	1.5
197.09659	0.5
198.12886	0.4
200.14296	0.6
202.15842	0.3
203.08598	0.8
204.09251	0.5
205.10121	1.2
206.11037	0.4
207.11728	1.3
208.12598	0.3
209.09579	0.5
209.13316	1.1
211.10966	0.4
211.15053	0.5
212.14278	0.6
215.16730	0.3
217.10149	0.6
218.10863	0.4
219.11618	1.0
220.12613	0.4
221.13283	1.2
223.11282	0.4
223.15070	0.4
224.12265	0.3
224.14352	0.7
226.15842	0.7
233.13229	0.5
234.14191	0.4
235.11162	0.4
236.14343	0.4
238.15976	0.5
240.13818	0.4
240.17488	0.5
247.14949	0.6
249.16409	1.0
250.15904	0.5
252.17574	0.5
259.14679	0.4
260.14417	0.4
264.17502	0.6
265.15781	0.6
265.18268	0.4
266.15527	0.6
266.19131	0.9
268.20499	0.9
275.16617	0.5
276.17535	1.0
277.15967	0.5
294.18756	0.7
294.22195	1.0
304.20578	1.2
312.23215	0.7
321.20810	0.4
322.21561	5.0
340.22711	4.5
364.22626	0.6
382.23755	1.1
400.25043	0.4
404.22192	0.7
426.24225	0.6
444.25323	2.6
462.26385	3.3
504.27725	2.4
522.28430	62.1
523.28741	4.0
540.29504	100.0
541.29791	5.4
563.59949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	11.3
57.03428	14.3
58.06592	5.4
59.04997	3.6
61.02909	5.1
67.05502	12.6
69.03419	36.5
69.07052	20.3
69.74514	2.1
70.06577	6.6
71.01354	2.6
71.04981	6.5
71.44655	2.3
73.02910	17.9
79.05486	4.8
81.03401	4.7
81.07050	19.8
83.08597	8.3
85.02891	42.1
85.06550	7.7
87.04455	13.0
91.05482	3.3
93.07035	8.5
95.04890	2.6
95.08591	29.7
97.02875	30.2
97.06535	3.9
97.10165	5.6
99.04460	4.1
105.07040	4.5
107.08596	10.5
109.02869	5.1
109.06479	2.0
109.10129	28.1
111.08049	4.3
115.03913	18.9
115.07564	7.5
119.08581	8.8
121.10111	4.5
123.07996	2.7
123.11685	10.4
127.03915	5.1
127.11170	3.1
129.39313	2.3
133.04936	17.1
133.10103	17.3
135.11658	26.8
137.09587	3.1
145.04979	7.6
149.13272	5.1
152.47786	2.1
153.12737	8.5
168.06546	2.9
175.14798	32.0
181.15778	2.7
193.15840	36.8
210.22127	37.1
211.16901	100.0
228.23167	43.3
229.17979	3.4
240.72844	2.4
246.24248	69.6
252.23251	5.5
260.38351	2.0
270.24191	3.1
288.25427	10.3
378.28442	11.0
390.28183	3.5
408.29510	42.4
450.30426	4.6
540.26776	4.1
540.33746	51.2
541.21295	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	540.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01188	0.4
56.05024	2.8
56.81641	0.4
57.07067	2.8
58.06596	5.4
67.05498	1.1
69.03433	0.7
69.07069	0.5
69.92152	1.2
70.06570	1.0
72.08160	0.7
79.05479	0.6
80.04987	0.5
81.03435	0.4
81.07045	0.6
84.08121	0.8
85.02905	1.1
91.05470	2.1
93.07039	0.9
95.04974	1.4
95.08637	0.4
98.09675	0.6
102.09159	0.9
105.03346	1.0
105.07032	1.4
107.04939	0.7
107.08565	0.5
108.08111	5.9
109.02895	1.1
109.06471	0.4
115.05424	0.4
117.07042	1.1
119.08595	0.7
121.06512	0.7
121.10147	0.6
122.09686	1.1
123.04413	5.0
123.93511	0.4
124.11230	0.8
127.03935	0.7
128.06201	0.7
129.06999	1.1
131.04892	0.6
131.08577	1.2
133.10147	0.7
135.04482	0.4
136.06226	0.4
137.06003	0.7
141.07002	1.1
142.07875	0.4
143.08551	1.5
145.06422	0.4
145.10147	0.9
151.03917	0.7
152.10741	0.8
154.12285	0.8
155.08612	1.0
157.06450	0.6
160.11214	0.7
165.06998	0.6
167.08578	0.9
171.08127	0.5
173.09689	0.4
179.08542	0.5
181.10042	0.6
183.08081	0.6
186.12892	0.6
188.14282	0.5
193.10158	0.5
193.15913	0.5
197.09659	0.5
198.14815	0.6
201.09134	0.5
204.09406	0.5
205.10175	0.5
207.11797	0.5
209.09663	0.6
228.16887	0.6
229.17076	0.5
238.09943	0.4
281.11707	0.6
330.53131	0.5
356.18698	0.5
360.17938	0.6
370.19962	0.8
388.21201	2.7
402.22964	0.5
420.23807	14.5
421.24164	0.6
438.25003	2.6
490.27875	2.2
504.29495	0.5
522.30536	16.9
523.31024	0.8
540.31635	100.0
541.31891	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	540.3374
Annotation	Isariin D
Peak:m/z	Relative Intensity
55.01847	1.4
55.05499	8.0
56.05036	1.5
57.03429	12.8
58.06589	3.3
61.02919	1.9
61.88820	1.2
67.05491	12.2
69.03417	36.4
69.07057	12.3
70.06580	7.8
70.43333	2.5
71.05000	1.5
73.02915	8.4
79.05470	1.4
81.03403	1.9
81.07036	15.9
83.08632	4.3
85.02892	38.1
85.03405	2.2
86.06065	2.4
87.04453	18.0
95.08593	15.1
97.02882	24.0
97.10153	6.0
99.04446	1.4
105.03395	4.4
109.02886	2.6
109.10149	8.2
115.03916	16.7
123.11705	4.7
127.03921	3.3
133.04944	12.9
137.13214	2.0
145.04956	2.4
178.00948	1.4
210.22128	65.2
213.36259	1.2
228.23195	39.8
246.24248	100.0
247.24481	2.3
252.23195	8.7
270.24115	6.2
281.96756	1.3
288.25253	14.4
342.26413	2.2
354.26419	2.2
360.27502	1.6
372.27509	4.8
378.28494	14.5
390.28516	4.9
408.29468	48.4
409.30609	1.7
450.30539	4.0
522.32629	4.3
540.26520	3.1
540.33685	64.8
541.34216	3.6
554.68604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3387
Annotation	Isariin D
Peak:m/z	Relative Intensity
53.03940	0.6
55.01854	1.0
55.05255	0.7
55.05505	8.7
56.05032	1.2
57.03430	6.0
57.07055	1.9
58.00536	0.5
58.06577	4.2
59.35447	0.6
61.02917	0.7
67.05498	8.3
69.03060	1.2
69.03419	16.1
69.06701	1.1
69.07060	13.9
70.06239	0.7
70.06588	9.3
71.04974	1.2
72.08125	0.9
73.02888	1.2
75.04449	0.6
79.05466	1.5
81.03397	0.9
81.07041	12.3
83.08608	4.7
84.08130	1.0
85.02896	15.1
86.06042	1.1
87.04457	8.0
91.05469	2.0
93.07030	1.8
95.04926	0.5
95.08595	11.2
97.02879	13.1
97.10173	5.1
98.09698	0.5
100.85413	0.6
105.07030	0.9
107.04921	0.7
107.08572	1.4
108.08080	2.0
109.02877	1.0
109.06461	0.6
109.10140	6.0
115.03915	12.6
115.07559	0.7
117.06972	0.6
119.08554	1.2
121.06506	0.8
121.10129	1.9
121.65041	0.5
122.10414	0.7
123.04401	1.7
123.10880	0.7
123.11674	2.4
127.03905	2.2
128.06190	0.8
129.07062	0.8
130.77827	0.6
131.08534	1.1
133.04951	12.5
133.10115	1.8
135.11668	0.9
137.05962	1.1
137.13242	1.2
140.10672	0.7
145.04942	2.5
163.05975	1.5
168.17574	0.6
174.06755	0.9
175.14809	1.7
189.09090	1.1
193.15871	1.9
209.15329	0.8
210.22141	70.6
211.16861	1.6
211.22462	1.8
219.10123	5.6
227.16281	0.8
228.23192	100.0
229.23601	2.5
246.24280	16.7
252.23137	3.3
259.08139	0.7
270.24252	3.6
288.25293	0.9
304.66309	0.6
342.26102	0.7
354.26541	1.5
360.27463	8.1
372.27380	0.7
378.28430	2.0
388.21103	0.7
390.28339	1.8
400.29846	0.6
408.29523	7.2
416.24103	2.1
420.23776	3.2
434.25208	1.2
522.31256	5.9
540.25977	6.2
540.32562	31.6
541.25757	0.9
541.33209	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14093	0.4
55.05495	1.9
57.07066	12.1
58.06584	0.6
61.58466	0.5
67.05491	3.0
69.07056	2.6
70.06583	8.8
70.61716	0.6
71.08621	7.0
73.02888	1.0
74.01707	0.4
79.05473	1.4
81.07038	2.0
83.08598	1.3
85.10171	1.8
87.04461	1.1
88.07617	11.7
89.06015	17.7
93.07032	1.6
95.08581	2.7
102.09169	9.3
105.06988	0.9
106.08669	0.4
107.07102	0.5
107.08579	0.9
109.10116	0.9
121.10103	0.6
123.11761	0.4
133.08583	13.6
133.09537	0.9
140.14648	0.4
150.58878	0.4
171.11627	0.6
177.11197	5.4
212.23782	1.2
221.13820	0.8
239.14804	0.7
256.26303	24.1
257.26712	0.6
274.27322	1.5
283.17474	0.9
283.26233	10.1
284.29425	8.4
302.30640	0.8
306.27899	0.5
311.29370	23.4
312.29813	0.8
322.10251	0.5
327.20038	9.5
437.76553	0.5
522.45007	0.7
540.53424	100.0
541.38684	1.1
541.53760	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	540.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70861	0.2
56.96554	6.3
57.91711	0.2
58.47738	0.2
69.79440	0.6
69.79825	0.5
78.13062	0.3
78.80417	0.2
94.17237	0.3
95.39111	0.3
98.97565	73.7
101.23634	0.2
116.98603	40.3
130.93268	0.4
134.99634	14.5
140.00157	0.3
153.00688	1.2
154.93367	0.3
158.01144	0.3
172.94307	2.5
190.95393	3.1
191.30974	0.3
197.95108	0.4
208.96469	1.0
214.95334	2.5
232.96429	7.2
240.98782	1.0
248.94365	0.5
248.99677	0.3
250.97504	3.5
256.96368	15.3
257.96777	0.4
258.99722	6.9
272.94431	0.3
274.97458	100.0
275.97772	1.4
276.97995	0.4
277.00772	9.3
278.00928	0.6
290.95428	0.4
292.98511	59.9
293.98868	1.1
294.98904	0.4
297.98950	1.3
298.97705	0.6
314.95554	0.4
316.00311	0.6
316.98724	0.8
332.96582	0.7
338.78253	0.3
382.99741	0.7
398.97537	18.5
399.97739	0.8
401.00787	2.7
416.98599	45.2
417.98767	2.5
419.01804	0.8
432.96429	0.5
434.99734	9.0
436.00119	0.3
436.96405	0.3
440.00421	0.7
440.52271	0.3
456.96774	0.8
474.97339	0.5
515.90649	0.3
534.14191	0.3
540.98761	9.7
541.98767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11381	0.4
58.06586	0.8
66.92280	0.4
67.05493	1.1
69.03414	0.4
71.04948	0.6
79.05457	0.6
80.27138	0.3
81.03510	0.4
81.07056	0.5
85.02866	0.4
91.05473	1.1
93.07040	0.9
95.04938	0.5
95.08607	0.5
98.23463	1.2
104.24642	0.4
105.03368	2.0
105.07015	0.9
106.03721	0.8
107.04962	0.4
107.08553	0.5
119.08532	0.6
121.10091	0.4
129.04385	0.4
129.07034	0.4
131.08539	0.6
133.10175	0.4
143.08621	0.4
152.69945	0.3
185.04282	0.4
203.05254	1.0
223.53238	0.4
259.07825	1.6
305.17227	0.6
317.16266	0.3
370.23648	0.9
379.20871	2.8
388.24756	0.5
402.26178	2.5
419.26498	0.4
420.27527	2.8
509.27689	0.8
523.25110	1.0
541.26025	100.0
542.25232	2.8
542.30951	6.0
563.24072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01859	5.3
55.05501	24.1
57.03426	2.9
57.07053	1.9
58.52428	1.0
59.04998	1.2
65.03922	1.4
67.05492	23.7
69.03399	1.6
69.07052	10.8
71.04987	1.7
71.07382	1.0
71.43699	1.0
73.46175	0.8
79.05475	21.5
81.03413	7.3
81.07043	22.5
82.41475	0.9
82.70535	0.8
83.04969	3.5
83.08609	12.3
85.06534	1.5
85.10235	0.9
85.68258	0.8
86.09692	5.0
88.68884	1.0
91.05461	16.0
91.34565	0.8
93.07018	15.8
95.04961	7.9
95.08582	12.8
97.06535	2.5
97.10156	13.0
105.04523	1.1
105.07002	13.8
107.04942	3.0
107.08570	12.1
109.06521	2.9
109.10133	8.6
111.08063	1.9
115.05441	2.7
117.06999	10.8
119.08555	11.3
121.06507	2.5
121.10135	5.6
123.08085	1.9
123.11687	1.6
125.09606	8.7
128.06233	3.8
129.06963	12.1
131.08543	13.6
133.06441	1.7
133.10107	7.4
135.08044	2.0
135.11711	3.4
137.09627	1.3
141.06970	3.8
142.07726	1.9
143.08540	11.5
145.06473	1.8
145.10103	9.8
146.98123	7.4
147.08041	2.4
147.11687	3.8
149.09613	2.0
151.15660	1.0
153.09074	1.4
154.07689	1.3
155.08519	7.7
156.09308	1.7
157.06445	1.1
157.10094	10.4
159.08052	2.6
159.11691	7.4
161.13286	2.1
163.11188	2.9
165.06985	1.5
167.08528	4.3
168.09335	1.6
169.10106	9.2
171.08026	2.6
171.11641	7.7
173.09663	2.0
173.13261	3.8
179.08513	1.8
181.10019	5.4
182.10727	1.2
183.08141	1.6
183.11624	6.4
185.09573	2.0
185.13208	8.2
187.11172	2.8
187.14783	1.8
189.11241	4.3
189.12759	1.3
193.10234	1.9
193.12279	0.9
195.08037	1.3
195.11649	4.8
197.09550	1.9
197.13254	5.5
199.11166	1.8
199.14925	2.7
201.12650	1.6
201.16229	0.9
205.10127	1.2
207.11690	2.3
209.13300	4.8
211.11226	1.4
211.14789	2.6
213.12732	1.8
213.16241	1.4
219.11501	1.0
221.13242	2.9
221.15666	0.9
223.14883	2.7
225.12810	1.7
227.12643	6.4
235.14825	1.9
237.16350	1.5
249.12878	1.1
249.16396	1.2
251.14307	1.0
257.18884	1.3
259.20493	1.4
269.22449	1.1
271.16882	1.1
275.20175	2.5
281.19006	1.4
295.20410	2.2
297.22012	8.9
299.19968	1.5
313.21643	1.1
315.23135	1.8
319.20685	1.4
323.19986	1.1
325.21680	1.5
337.21692	1.3
337.27310	1.6
413.28513	1.5
421.31006	2.1
431.29266	6.1
449.30420	11.9
467.31570	6.9
473.88120	1.1
483.24863	10.2
485.32532	3.6
505.33136	1.1
511.33527	1.0
513.35620	1.3
523.34137	11.9
540.53485	1.7
541.35156	100.0
541.53076	2.5
542.32751	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	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05508	21.0
57.03424	4.0
57.07067	18.1
58.06584	1.7
65.03931	1.9
67.05495	40.1
69.07062	15.9
70.06584	14.2
71.04994	2.6
71.08615	7.8
73.02943	1.6
79.05477	34.5
81.07043	34.9
83.04984	3.8
83.08593	11.8
85.10168	2.8
88.07619	18.1
89.07981	2.5
91.05468	26.1
93.07022	32.4
95.04957	9.5
95.08583	22.4
97.06533	4.3
97.10170	7.4
98.23405	5.8
99.08043	2.2
102.09193	11.4
105.04533	2.3
105.07022	20.1
106.50644	1.7
107.08566	17.3
109.06544	2.6
109.10126	9.4
117.06999	10.5
119.08551	17.0
121.10121	10.8
123.08080	2.6
125.09582	2.2
128.06209	2.2
129.06973	16.0
131.08540	18.5
133.10126	10.0
135.11700	5.2
141.06985	5.5
143.08549	18.1
145.10112	16.1
147.11626	10.4
149.13286	3.7
155.08519	11.4
156.09351	2.2
157.10135	13.3
159.11656	9.5
161.13292	4.3
167.08536	3.1
168.09302	2.4
169.10129	10.5
171.11679	11.8
172.04968	1.6
173.13255	4.5
175.14784	2.7
178.54973	1.6
181.10114	6.8
183.11679	10.6
185.13255	6.1
187.14767	2.6
188.93419	1.8
189.12689	1.9
189.16301	2.0
195.11758	7.0
197.13313	5.8
199.14868	6.0
207.13847	1.9
209.13271	4.8
211.14812	5.5
213.16536	3.2
221.13248	2.3
223.14842	4.0
225.16460	4.1
235.14949	2.8
237.16391	2.4
239.17831	2.9
249.01857	2.1
256.26315	25.9
257.26663	13.5
261.22046	3.9
275.27795	1.7
281.17313	2.5
283.26355	8.0
284.26682	5.0
284.29523	9.0
285.29837	4.6
297.22342	2.1
311.29416	19.1
312.29727	16.4
327.92609	2.2
431.33130	5.0
449.34103	15.7
467.35309	5.8
485.36038	3.9
505.36475	2.1
523.37836	8.5
540.53375	25.8
541.38910	100.0
541.53644	79.7
542.39374	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	541.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.0
51.02378	2.4
53.03937	5.3
55.01873	2.8
55.05502	25.2
57.03432	2.4
57.07064	12.8
58.07392	1.6
61.92517	1.1
65.03933	4.8
67.05495	74.6
68.64494	1.1
69.03426	2.7
69.07057	17.7
70.06581	8.9
70.60963	2.3
71.04993	3.9
71.08627	5.9
73.06531	1.8
77.03938	1.2
79.05481	100.0
79.39196	1.1
81.03408	7.6
81.07045	72.7
83.04968	13.5
83.08607	10.9
85.06545	3.4
85.10182	2.9
88.07622	11.0
89.07958	1.2
91.05467	67.4
91.25877	1.1
93.07031	96.3
95.04958	28.7
95.08593	48.5
97.06519	7.4
97.10165	4.5
99.08053	1.2
102.09159	8.4
103.05475	1.9
105.04521	5.7
105.07018	44.6
107.04983	6.9
107.08572	38.4
109.06516	6.1
109.10143	12.6
111.08089	3.0
115.05456	1.9
117.07004	12.9
119.08560	31.1
119.09403	2.0
121.06497	2.6
121.10133	21.1
121.10981	2.0
123.08052	6.0
123.11709	2.9
125.09626	1.9
127.07560	2.5
128.06233	3.1
129.07001	16.2
131.08553	15.3
133.06540	1.0
133.10103	14.1
135.08086	2.3
135.11673	11.1
141.06952	1.6
143.08525	9.5
145.10109	15.2
147.08040	2.6
147.11665	40.3
149.09596	1.6
149.13237	5.4
155.08490	1.7
157.10159	3.1
159.11665	6.1
160.81786	1.3
161.09641	4.7
161.13239	12.5
163.14783	1.6
169.10138	2.4
171.11670	26.9
173.13272	3.9
183.11714	1.4
185.13211	2.7
187.14853	1.5
189.12718	10.5
195.11748	2.1
197.13342	1.7
207.13773	27.1
211.14836	1.8
225.14894	1.8
256.26321	20.8
257.26636	10.6
259.14536	1.1
261.22189	4.7
274.27280	1.6
281.17444	1.6
283.26285	5.4
284.26715	2.5
284.29584	4.1
285.29858	3.8
311.29391	15.5
312.29694	10.7
317.24796	1.8
338.38428	1.2
376.10016	1.2
449.34009	2.1
467.35159	1.4
540.53497	22.0
541.38873	79.2
541.53552	44.5
542.39252	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	542.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95184	0.5
60.04504	0.5
60.41175	0.5
67.05492	1.0
69.03435	0.6
69.56640	2.1
70.06593	0.9
71.04977	1.2
75.04470	1.2
79.05465	1.3
80.05012	1.3
81.03384	0.7
81.07029	0.5
84.11472	0.5
85.02892	4.2
87.04439	1.2
91.05458	2.1
92.04939	0.5
93.07040	0.7
94.06547	1.4
95.04942	2.0
97.02874	1.2
97.06508	0.8
103.05486	0.6
105.07018	1.5
107.04943	1.9
108.08093	0.6
109.06499	1.6
111.04392	0.5
115.05461	1.1
117.06994	1.9
118.06522	0.9
118.97359	0.5
119.04961	0.8
119.08524	1.0
121.06493	1.7
123.04411	1.1
123.08125	0.5
124.07578	1.6
124.95524	0.5
128.06194	1.0
129.06993	2.8
130.06493	0.6
130.72267	0.5
131.08530	1.5
132.08093	0.9
133.02792	0.6
133.06500	1.1
137.05936	1.9
138.05482	0.6
139.03874	0.7
141.06976	1.9
143.08553	1.9
144.08115	0.7
145.06505	1.7
146.05957	1.2
147.07977	0.9
149.05995	0.6
150.09106	0.6
151.03876	0.6
153.06981	1.5
154.07687	0.6
155.04710	0.5
155.08557	1.6
156.08066	0.9
157.06458	1.0
157.10126	0.5
158.09659	0.9
159.08026	1.3
161.09572	0.7
163.03925	1.2
165.05592	0.9
165.06876	2.4
166.07780	1.6
167.08572	2.3
168.07973	0.7
169.06462	1.1
169.08778	0.6
169.10115	1.0
170.09604	1.9
171.07968	1.3
173.05933	0.9
175.07513	0.7
178.07771	2.1
179.08542	3.5
181.06482	1.1
181.08739	0.6
181.10100	2.3
182.09610	1.1
183.08070	1.4
185.09708	1.2
187.07449	0.6
190.07782	1.4
191.08566	2.5
191.46379	0.5
192.09383	1.1
193.10162	2.1
194.07285	1.0
194.09528	0.8
195.08052	2.5
195.11681	1.4
196.11206	0.9
197.09567	1.5
202.07755	1.8
203.08546	1.5
205.10188	3.6
207.08022	2.0
207.11765	1.0
208.08786	0.6
208.11133	0.8
209.09615	2.8
211.11290	0.8
213.09109	0.7
215.08626	1.3
217.10159	1.3
218.07211	1.0
218.09547	0.5
219.07999	0.9
220.08832	1.0
220.11119	1.0
221.09584	1.8
222.09035	0.7
223.07628	0.8
223.11139	2.2
224.10648	1.1
225.09229	1.0
225.12726	0.9
231.08072	0.8
232.11205	1.0
233.09581	3.6
235.11134	1.8
236.10783	0.9
237.09161	1.2
242.11981	0.6
245.09660	0.8
245.32840	0.5
248.10745	0.7
249.09065	0.8
250.12152	0.7
251.10744	2.5
261.08942	0.8
262.12228	1.3
263.10629	1.5
279.10159	2.1
280.13293	1.8
281.11569	1.0
283.13287	0.7
284.12714	0.6
291.10327	0.6
293.11819	1.0
294.14828	0.6
298.14691	0.6
302.13284	0.6
308.12778	1.2
311.12836	1.5
312.15955	1.2
314.13528	0.7
316.15805	0.5
326.13763	1.4
330.16949	1.9
340.15454	3.2
344.18771	0.8
346.16354	0.7
358.16513	3.7
372.17975	3.2
390.19040	4.4
404.20633	1.4
418.18524	1.2
422.21866	2.9
432.20056	4.2
450.21088	2.4
464.22757	1.7
482.23727	11.5
483.24167	0.8
492.25537	0.7
541.25098	0.6
542.25775	100.0
543.25873	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
53.03929	0.8
55.01856	0.5
56.05029	1.2
58.06591	6.0
64.22527	0.3
67.05511	0.9
69.03441	0.4
71.45456	0.4
72.08151	1.1
77.03904	0.9
78.76480	0.4
79.05473	1.2
80.05019	0.7
81.03400	0.6
81.07050	1.0
83.53838	0.5
84.08132	1.1
85.02891	1.2
89.10599	0.4
91.05470	3.4
92.83960	0.4
93.07015	0.9
94.06522	0.7
95.04955	3.5
95.08598	0.9
97.02876	0.5
100.62190	0.3
103.97857	0.4
105.03377	20.6
105.04517	1.2
105.06989	2.2
107.04958	1.1
108.08091	4.3
109.06516	0.5
110.09702	0.5
111.04533	0.4
114.09163	0.6
115.05472	0.8
117.07004	1.2
119.04934	0.8
119.08580	1.6
121.02895	0.5
121.08886	0.7
122.09648	8.7
123.04383	1.0
124.11217	1.0
128.06209	1.0
129.06978	1.9
129.77687	0.4
131.08553	3.1
133.06476	0.6
134.09575	0.4
137.05945	0.8
138.09113	0.6
139.06525	0.4
140.10695	1.0
141.06042	0.4
141.06923	2.2
142.07759	0.4
143.08574	2.2
145.06444	0.5
145.10129	0.9
147.08051	0.7
151.07573	1.0
152.07932	0.4
153.06973	1.0
155.08504	2.2
157.06461	0.7
157.10124	1.1
159.08037	0.6
165.07021	1.4
166.07747	1.2
167.08479	2.3
169.10165	1.4
171.11748	0.7
172.11140	0.5
178.07721	0.7
179.08553	1.7
181.10150	1.6
183.08003	0.8
183.11699	1.0
184.11246	0.5
185.09628	0.5
186.12747	0.8
187.13457	0.5
192.09322	0.7
193.10150	1.4
195.08171	0.5
195.11687	0.8
197.09634	0.6
197.13283	0.5
198.12691	0.5
200.14359	0.5
203.08627	0.5
205.10172	1.2
206.10896	0.5
207.11720	1.0
209.09714	0.4
211.11264	0.7
213.18430	0.5
219.07849	0.4
219.11568	0.4
221.13249	0.9
223.11243	0.5
223.14688	0.4
225.12746	0.6
227.10619	0.4
235.11188	0.5
242.11754	0.8
243.50569	0.5
244.13449	1.2
249.12691	0.8
251.14241	0.9
252.13864	0.4
267.13986	0.4
271.24670	0.4
279.13766	0.4
311.16833	0.4
324.19666	0.9
326.99609	0.4
331.15427	0.8
332.15494	0.6
333.15942	1.8
342.20667	0.7
384.21625	3.2
402.22906	2.3
420.23926	1.4
446.22702	0.6
471.48093	0.4
506.25369	4.9
510.21210	1.3
524.26434	5.4
542.27423	100.0
543.27942	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	542.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03929	0.9
55.01860	0.4
56.05037	1.4
58.06332	0.4
58.06596	6.1
65.03937	0.3
67.05493	1.0
69.03408	0.6
70.06571	0.4
71.04985	0.3
72.08149	1.2
77.03928	0.9
77.53679	0.2
79.05483	1.8
80.05007	0.8
81.03414	0.5
81.07046	1.0
83.04971	0.4
84.08127	1.5
84.38388	0.3
85.02898	0.9
86.06049	0.3
86.09689	0.8
87.00845	0.3
88.07623	0.5
91.05467	3.9
93.07050	1.4
94.06577	0.5
95.04955	4.0
95.08606	0.7
96.08113	0.6
97.02891	0.5
97.06516	0.3
98.09712	0.5
99.04444	0.4
100.07640	0.3
103.05464	0.3
104.20623	0.3
105.03378	20.7
105.04519	1.3
105.07020	2.4
107.04948	1.0
107.08595	0.3
108.08102	4.0
109.06485	0.3
110.09655	0.6
111.04493	0.4
112.07519	0.3
113.52179	0.3
114.09160	0.5
115.05456	0.4
117.07020	1.3
119.04937	0.6
119.08569	1.5
121.06510	0.8
121.08887	1.0
122.09654	9.3
122.10537	0.5
123.04445	0.7
123.10436	0.4
123.11711	0.3
124.11227	1.2
128.06206	0.8
129.07008	3.1
131.08551	3.1
133.06485	0.7
133.10132	0.5
135.08029	0.5
137.06006	0.6
138.09088	0.3
140.10706	0.8
141.06973	1.9
142.07755	0.5
143.08519	2.1
145.04955	0.3
145.06374	0.4
145.10121	0.8
147.08040	1.1
151.07568	0.5
153.06975	0.7
155.08519	2.6
157.06511	0.7
157.10097	0.9
158.09578	0.4
159.08028	0.9
160.11221	0.4
161.05939	0.3
165.07021	1.1
166.07802	0.4
167.08540	1.9
168.09401	0.5
169.10097	1.7
171.08002	0.5
171.11646	0.5
172.11160	0.5
173.09686	0.3
174.12691	0.3
178.07790	0.9
179.08525	1.7
180.09361	0.5
181.10049	1.5
182.10782	0.4
183.08090	0.4
183.11723	1.0
185.09656	0.3
186.12814	0.8
191.08591	0.8
192.09308	0.8
193.10165	1.4
195.08025	0.5
195.11737	1.2
197.09576	0.3
197.13261	0.8
198.12814	0.4
200.14326	0.4
202.07813	0.3
203.08569	0.8
204.09311	0.5
205.10130	1.0
206.10939	0.4
207.11681	1.3
209.09662	0.6
211.11264	0.5
212.14340	0.4
214.12259	0.4
217.10201	0.6
218.11053	0.3
219.11644	0.7
221.13258	0.8
223.11284	0.6
223.14720	0.4
225.12773	0.5
233.13275	0.4
235.11133	0.7
239.14241	0.3
241.12189	0.4
242.11775	0.8
244.13364	1.4
249.12711	0.4
251.14328	0.4
253.12248	0.5
253.15785	0.3
261.12753	0.3
267.13745	0.4
279.13724	0.5
281.15198	0.2
283.13232	0.3
289.13455	0.3
296.20169	0.3
306.18542	0.5
312.19696	0.4
324.19385	0.6
328.15479	0.3
332.15469	0.4
366.20627	0.4
380.13962	0.3
384.21652	2.9
402.22559	2.0
420.18497	0.4
420.23682	1.6
429.91138	0.3
432.17377	0.3
445.32333	0.3
446.23203	0.3
482.21960	0.6
488.23987	0.6
506.25284	5.0
510.21603	0.9
524.26563	6.3
525.25989	0.4
542.27448	100.0
543.27942	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	542.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.8
50.84684	0.5
51.02364	1.2
53.03930	1.9
53.18548	0.5
55.01873	0.8
58.06598	3.6
59.13174	0.5
66.67609	0.5
67.05499	0.9
69.03417	1.0
69.17961	3.4
70.06578	0.8
71.04977	1.1
72.08141	0.9
77.03892	2.6
79.05486	1.9
80.51740	0.5
84.08121	0.8
85.02888	1.9
89.19885	0.5
91.05454	3.0
93.07021	0.7
95.04956	11.1
96.08114	0.5
97.02873	0.9
100.07623	0.7
105.03378	100.0
105.04511	4.7
105.07021	1.4
106.03708	2.6
107.04935	1.8
108.08122	2.2
109.06510	0.8
115.05459	1.1
117.07004	1.8
120.08120	0.9
121.06489	1.0
121.08846	0.5
122.09685	0.9
123.04427	0.6
127.01247	1.6
128.06212	1.2
129.06975	2.8
131.08562	1.9
135.04401	6.8
137.08321	1.4
138.09134	1.7
141.06989	2.0
142.07800	0.6
143.08528	3.2
145.10135	0.6
147.08029	0.8
148.07545	2.7
152.10669	1.7
153.06964	0.8
154.59941	0.5
155.08501	2.3
158.09654	0.9
159.07967	0.7
165.07007	2.0
166.07866	0.7
167.04390	0.8
167.08580	2.8
168.10197	12.9
169.10101	0.6
171.08043	1.9
172.11087	0.5
173.09671	0.9
178.07755	1.3
179.08528	2.4
180.09270	0.9
181.10092	2.1
190.07686	0.9
191.08545	1.9
192.09355	1.4
193.10115	1.9
195.08133	0.9
195.11612	1.2
196.89394	0.6
197.09515	0.7
202.07751	2.0
203.08478	1.0
204.09427	1.0
205.10069	3.4
207.07962	0.8
207.11671	2.1
208.08856	0.9
209.09616	1.2
213.04875	2.1
217.10152	1.9
219.08209	0.7
219.11742	1.0
220.08873	0.8
221.09560	1.3
223.11183	1.2
233.09631	1.2
235.11121	4.1
237.09035	0.6
237.12779	1.3
245.09329	0.7
249.12721	1.0
251.10643	2.1
253.12238	2.1
257.08060	8.8
263.10596	5.7
265.12317	0.7
267.13837	1.1
269.11652	0.5
277.12125	1.2
281.11667	4.9
283.13382	0.6
295.13232	3.3
310.18088	0.7
320.58932	0.6
338.17249	0.6
356.22107	1.4
357.14828	0.7
373.14322	3.8
385.14175	3.3
388.20914	1.2
388.25031	6.9
389.25037	0.7
403.15292	1.8
405.16904	1.5
417.16998	2.2
420.27454	8.6
420.47113	0.6
435.17758	0.7
460.20804	3.1
460.79462	0.5
473.13614	0.6
478.22104	7.4
492.23752	0.6
510.24637	6.8
524.27179	0.7
542.27814	26.3
543.28101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.8
50.84684	0.5
51.02364	1.2
53.03930	1.9
53.18548	0.5
55.01873	0.8
58.06598	3.6
59.13174	0.5
66.67609	0.5
67.05499	0.9
69.03417	1.0
69.17961	3.4
70.06578	0.8
71.04977	1.1
72.08141	0.9
77.03892	2.6
79.05486	1.9
80.51740	0.5
84.08121	0.8
85.02888	1.9
89.19885	0.5
91.05454	3.0
93.07021	0.7
95.04956	11.1
96.08114	0.5
97.02873	0.9
100.07623	0.7
105.03378	100.0
105.04511	4.7
105.07021	1.4
106.03708	2.6
107.04935	1.8
108.08122	2.2
109.06510	0.8
115.05459	1.1
117.07004	1.8
120.08120	0.9
121.06489	1.0
121.08846	0.5
122.09685	0.9
123.04427	0.6
127.01247	1.6
128.06212	1.2
129.06975	2.8
131.08562	1.9
135.04401	6.8
137.08321	1.4
138.09134	1.7
141.06989	2.0
142.07800	0.6
143.08528	3.2
145.10135	0.6
147.08029	0.8
148.07545	2.7
152.10669	1.7
153.06964	0.8
154.59941	0.5
155.08501	2.3
158.09654	0.9
159.07967	0.7
165.07007	2.0
166.07866	0.7
167.04390	0.8
167.08580	2.8
168.10197	12.9
169.10101	0.6
171.08043	1.9
172.11087	0.5
173.09671	0.9
178.07755	1.3
179.08528	2.4
180.09270	0.9
181.10092	2.1
190.07686	0.9
191.08545	1.9
192.09355	1.4
193.10115	1.9
195.08133	0.9
195.11612	1.2
196.89394	0.6
197.09515	0.7
202.07751	2.0
203.08478	1.0
204.09427	1.0
205.10069	3.4
207.07962	0.8
207.11671	2.1
208.08856	0.9
209.09616	1.2
213.04875	2.1
217.10152	1.9
219.08209	0.7
219.11742	1.0
220.08873	0.8
221.09560	1.3
223.11183	1.2
233.09631	1.2
235.11121	4.1
237.09035	0.6
237.12779	1.3
245.09329	0.7
249.12721	1.0
251.10643	2.1
253.12238	2.1
257.08060	8.8
263.10596	5.7
265.12317	0.7
267.13837	1.1
269.11652	0.5
277.12125	1.2
281.11667	4.9
283.13382	0.6
295.13232	3.3
310.18088	0.7
320.58932	0.6
338.17249	0.6
356.22107	1.4
357.14828	0.7
373.14322	3.8
385.14175	3.3
388.20914	1.2
388.25031	6.9
389.25037	0.7
403.15292	1.8
405.16904	1.5
417.16998	2.2
420.27454	8.6
420.47113	0.6
435.17758	0.7
460.20804	3.1
460.79462	0.5
473.13614	0.6
478.22104	7.4
492.23752	0.6
510.24637	6.8
524.27179	0.7
542.27814	26.3
543.28101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.9
58.06590	5.7
70.59972	0.7
72.08139	0.5
75.04479	0.6
75.21615	0.4
79.05479	0.4
80.45474	0.4
85.02898	1.5
87.04475	0.9
91.05461	0.9
95.04964	0.5
101.58017	0.4
105.06995	0.8
106.17732	0.5
108.08116	0.6
109.06509	0.6
114.90240	0.4
117.06998	0.6
122.09687	1.2
125.02358	1.6
128.06171	1.1
129.07014	2.1
131.08586	1.0
139.03951	0.6
140.90923	0.4
141.06929	1.0
143.08553	0.9
152.10728	1.7
153.07001	1.0
155.08556	1.5
158.09665	0.6
159.08041	1.0
165.07004	0.9
167.08557	1.3
169.06551	0.6
169.10141	0.6
171.07938	0.7
172.11200	0.8
179.08536	1.6
180.09341	0.5
181.10095	0.6
183.08089	0.7
184.11186	0.7
185.09494	0.5
187.11209	0.8
190.12416	0.4
191.08565	0.5
192.09302	0.4
193.10187	0.7
195.08051	0.6
202.07758	0.8
203.08437	0.7
204.09340	0.6
205.10121	1.2
209.09608	0.7
217.10313	0.5
219.07913	0.5
221.09624	0.7
223.11246	0.8
225.09033	0.6
233.09523	0.7
324.15881	1.2
386.19720	1.1
392.20740	1.1
418.22128	5.1
450.24854	14.9
450.30942	0.8
451.25153	0.7
482.27548	1.9
542.29529	100.0
543.30304	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	542.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05023	1.5
58.06590	4.2
59.04985	0.8
59.50508	0.5
67.05488	0.9
69.71901	1.9
71.04981	1.6
72.08156	3.4
75.04462	1.7
75.51323	0.4
79.05496	1.8
81.07049	0.8
88.40202	0.5
88.76492	0.5
90.86665	0.5
91.05462	2.5
93.07048	1.2
95.04957	1.6
98.09731	0.7
102.09167	2.8
105.03375	4.8
105.07021	2.1
108.08100	3.5
110.70772	0.6
115.05447	1.2
117.07017	1.7
119.04990	0.6
119.08584	0.5
121.06490	1.2
122.09653	1.8
124.11175	0.6
128.06219	0.7
129.06992	2.4
131.08569	1.7
134.09641	0.5
135.08046	1.6
138.09119	0.6
141.07008	1.6
142.07887	0.6
143.08575	1.4
145.06458	0.7
147.08011	0.6
147.10468	0.6
148.11327	0.7
152.10722	0.7
153.06967	0.8
154.12256	1.3
155.08563	1.8
157.10121	0.6
158.09631	0.6
161.09642	0.7
162.12775	0.5
163.07549	0.7
164.10736	0.5
165.07071	1.4
167.08560	1.9
172.11232	1.0
173.09569	0.6
174.12753	0.7
178.07890	0.6
178.12259	1.5
179.08574	2.3
181.10098	1.1
184.11263	0.5
186.12849	0.5
191.08676	1.0
192.09317	0.6
192.20444	0.4
193.10110	1.8
195.11757	0.6
197.09593	0.6
199.94006	0.5
203.08594	0.9
205.10085	1.5
206.10895	0.6
207.11720	0.7
217.10004	0.5
219.11696	1.0
221.13306	0.7
222.10481	0.6
223.11143	0.7
231.11647	0.6
233.13258	1.0
249.12737	0.5
294.18762	0.9
306.18600	0.9
324.19846	0.8
326.21182	0.7
338.21136	2.5
342.20676	2.3
356.22220	1.0
370.23694	13.0
371.23923	0.8
374.23184	8.6
388.24704	4.4
402.26315	38.4
403.26776	2.1
420.27383	36.1
421.27682	1.8
492.27216	0.7
524.30157	1.1
535.24152	0.6
542.31049	100.0
543.31390	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	542.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	1.0
55.06262	0.5
56.05027	1.9
58.06596	8.4
67.05503	0.9
69.24128	1.3
69.24534	0.9
70.06581	0.9
71.04985	1.7
72.08147	3.6
75.04473	0.6
77.03927	0.9
77.53290	0.5
79.05486	1.2
80.04977	0.5
81.07050	0.6
84.08145	1.3
85.02920	0.5
88.22038	0.5
91.05460	2.4
93.07043	1.1
94.06586	0.5
95.04955	2.9
95.08626	0.8
96.08164	0.5
97.06525	0.9
98.09694	1.0
102.09179	2.3
104.99609	0.5
105.03383	27.1
105.04524	1.3
105.07044	1.8
107.04955	1.0
107.08579	0.8
108.08109	4.2
109.06538	0.8
110.09723	0.5
112.77160	0.4
117.07038	1.4
119.08570	1.0
121.06506	0.8
122.09641	2.3
123.04503	0.7
123.08057	0.5
124.11219	1.2
125.09615	2.7
128.06238	1.4
128.10713	0.6
129.07027	1.9
131.08565	2.6
135.08041	0.6
137.05986	0.4
141.06973	1.6
143.08528	1.1
147.08005	0.6
152.10750	1.8
154.07738	0.5
154.12253	2.6
155.08563	2.1
157.10197	0.7
159.08136	0.5
165.07002	1.2
166.07864	0.7
167.08603	1.7
169.10176	1.5
171.08093	0.9
171.11700	0.5
172.11227	0.7
173.09705	0.6
178.07785	0.6
179.08612	1.6
180.09387	0.5
181.10132	0.9
183.11647	0.7
191.08578	1.1
192.09402	0.9
193.10144	1.1
195.11690	1.3
200.14401	0.7
202.07730	0.6
203.08618	0.5
205.10292	1.1
207.11775	1.2
211.07666	0.5
213.14949	1.4
221.13379	0.9
261.12872	0.6
295.16962	0.4
310.18155	1.0
324.19644	0.7
328.18625	0.5
338.21283	0.7
356.22311	2.6
360.21790	1.3
370.23953	1.0
388.24792	9.0
420.27405	10.1
421.27701	0.6
425.71356	0.5
446.23370	1.7
460.24887	1.5
478.25919	3.2
492.27518	1.6
510.28595	9.3
511.28934	0.7
528.00067	0.5
542.31152	100.0
543.31616	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	542.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.0
56.28315	0.4
58.06371	0.5
58.06599	5.4
67.05527	0.6
70.06579	0.5
71.04986	1.3
72.08142	3.5
75.04469	1.3
79.05486	1.8
85.06530	0.8
88.07597	0.5
89.02010	0.4
91.05474	2.6
93.07050	1.1
95.04948	1.3
95.82719	0.5
98.09694	0.8
98.23428	1.3
99.92773	0.5
102.09169	1.7
105.03381	4.5
105.07018	1.9
108.08116	2.7
115.05444	0.6
117.07001	1.3
118.90584	0.5
119.08529	0.6
121.06515	1.1
122.09669	1.4
124.11181	0.6
129.06953	2.6
131.08553	2.0
134.09654	0.6
135.08032	0.6
138.09065	0.5
141.06995	1.6
142.07764	0.5
143.08543	1.7
145.10080	0.8
146.09654	0.9
147.07967	0.5
148.11153	0.8
152.10707	0.9
153.06976	0.6
154.12207	0.9
155.08549	1.5
157.10109	0.7
158.09552	0.6
160.11183	0.7
165.06978	1.0
167.08578	1.3
172.11171	0.6
173.09402	0.5
178.12224	0.8
179.08568	1.8
181.10191	0.9
185.09648	0.6
191.08522	0.9
192.09343	0.7
193.10231	1.6
203.08571	0.5
205.10158	1.5
206.10832	0.5
207.11774	0.9
214.09993	0.5
215.08704	0.5
219.11523	1.0
221.09474	0.6
221.13312	1.1
233.09735	0.7
249.12730	0.7
250.15715	0.5
251.14250	0.6
254.02390	0.5
266.15518	0.5
281.15506	0.6
294.18558	1.2
303.15121	0.5
306.18484	0.6
310.18161	0.8
312.19910	0.6
324.19559	0.7
338.21103	1.7
342.20700	1.4
356.22409	0.7
370.23703	10.6
371.24167	0.7
374.23212	7.0
388.24820	2.2
402.26349	37.6
403.26880	1.7
420.27380	33.1
421.27753	2.0
510.29272	0.6
524.30017	1.1
542.31061	100.0
543.31323	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	542.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80847	0.5
53.86174	0.4
56.05029	1.1
58.06591	4.8
59.77541	0.4
67.05490	0.8
69.99856	0.9
70.00191	1.1
70.06579	0.9
71.04970	1.8
72.07801	0.6
72.08137	3.7
75.04468	1.6
77.22874	0.4
79.05481	1.7
81.03410	0.5
81.07047	0.6
84.08131	1.0
85.06522	0.8
87.16905	0.4
91.05469	2.6
93.07040	1.3
95.04980	1.7
98.09650	1.0
102.09195	2.9
103.05460	0.7
105.03384	8.2
105.04496	1.1
105.07036	2.2
108.08110	3.4
109.06533	0.7
109.15516	0.5
115.05466	0.8
117.06995	1.7
119.08610	0.8
121.06542	0.8
121.26007	0.5
122.09654	2.2
124.11193	0.8
128.06210	1.2
129.07016	2.0
131.08563	2.3
135.08060	1.3
138.09131	1.1
141.06973	1.8
142.07820	0.5
143.08551	1.6
145.06541	0.6
147.08023	0.6
148.11215	0.7
152.10638	0.8
153.06975	1.1
154.07689	0.6
154.12262	1.7
155.08533	1.9
157.06509	0.6
157.10110	0.4
158.09677	0.9
159.08075	0.6
160.11174	0.7
161.09631	0.6
163.07600	0.6
165.07042	1.3
167.08565	1.5
169.10165	0.8
171.08012	0.7
172.11177	1.0
173.09576	0.7
178.07816	0.6
178.12343	0.8
179.08565	2.1
180.09280	0.6
181.10168	1.3
185.09555	0.5
186.12836	0.5
191.08562	0.9
192.09393	0.8
193.10112	1.7
195.11719	0.7
198.12839	0.6
203.08606	0.5
204.09274	0.5
205.10213	1.1
206.10905	0.7
207.11621	1.3
216.09111	0.6
217.10144	0.6
218.11046	0.5
228.09474	0.6
228.13852	0.5
231.11615	0.7
233.13397	0.6
249.12680	0.8
253.15898	0.6
263.14343	0.9
292.34344	0.5
294.18481	0.6
296.20001	0.5
298.09964	0.5
338.21194	2.0
342.20831	1.4
344.21967	0.9
356.22321	0.6
370.23727	8.8
374.23206	8.2
388.24762	2.8
402.26337	29.7
403.26703	1.4
420.27386	31.5
421.27536	1.4
478.26013	0.6
492.27020	1.1
524.29956	2.5
542.31067	100.0
543.31439	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	542.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.87307	0.4
56.05029	1.1
58.06591	7.1
61.94888	0.4
67.05497	1.1
69.03407	0.9
71.04977	1.8
72.08141	3.1
75.98279	0.3
79.05470	2.3
81.03413	0.8
81.07045	0.9
83.04951	0.4
84.08102	0.5
85.02913	0.6
85.06514	0.4
87.04462	0.4
88.07623	0.5
90.47844	0.3
91.05461	5.0
93.07032	1.3
95.04952	1.9
96.08117	0.4
98.09712	0.6
98.23599	0.6
102.09182	0.4
103.05422	0.7
105.03372	3.9
105.04489	0.7
105.07045	2.5
107.04974	0.6
107.08558	0.5
108.08101	3.1
109.06511	0.9
115.05462	0.8
116.95569	0.3
117.06992	3.1
119.08572	1.3
121.06488	1.2
122.09688	1.1
124.07549	0.4
124.11193	0.7
125.05998	0.5
127.11171	4.5
128.06194	1.1
129.06982	2.9
131.05023	0.4
131.08548	2.7
133.04962	0.5
133.06500	1.1
133.10187	0.5
134.09645	0.7
135.08031	1.1
141.06963	2.4
142.07793	0.4
143.04768	0.5
143.08508	1.8
145.06450	0.5
145.10147	1.1
145.12227	0.5
147.08031	0.8
149.09595	0.4
150.12741	0.5
152.10757	0.6
153.07033	1.1
154.07726	0.4
154.12276	1.5
155.08514	2.9
157.06525	0.5
157.10135	1.5
159.08044	0.6
160.11177	0.6
165.06993	0.9
167.08510	2.8
169.06435	0.5
169.10136	1.8
171.08058	0.7
172.11046	0.5
173.09607	0.6
174.12819	0.4
176.10655	0.6
178.07790	1.1
179.08511	2.1
181.10126	1.3
183.08038	0.4
183.11687	0.8
185.09636	1.0
191.08600	1.2
193.10114	1.4
195.08163	0.5
195.11743	1.3
197.09613	0.6
202.07791	0.4
203.08519	1.1
204.09259	0.7
205.10146	1.6
207.08185	0.4
207.11626	0.8
208.73328	0.4
209.09560	0.6
211.11185	0.6
218.10899	0.7
219.11670	0.7
221.13231	0.6
223.11331	0.5
223.14915	0.7
231.11745	0.4
231.16020	0.7
233.13280	0.7
235.11337	0.7
249.12671	0.5
251.14308	0.8
267.13821	0.4
268.16959	0.7
268.57199	0.4
272.16605	0.5
281.15320	0.5
293.28311	0.4
296.16467	0.5
296.19998	0.7
300.19543	0.8
311.16406	0.5
324.19519	1.7
326.21533	0.8
328.19058	4.3
338.21185	0.9
356.22128	7.8
357.22702	0.6
360.21695	1.4
370.23663	4.9
388.24762	33.7
389.25107	2.1
402.26471	1.6
420.27374	39.9
421.27747	2.4
510.28625	0.4
542.31097	100.0
543.23792	0.7
543.31445	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	542.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.8
57.07068	37.0
58.86300	0.5
59.04990	0.8
67.05487	2.2
69.07052	2.5
69.74217	2.1
71.08621	25.4
73.06548	6.9
79.05480	2.4
79.32336	0.6
81.07050	3.0
83.08605	2.9
85.10170	20.3
87.04457	5.1
87.08134	0.7
89.06019	100.0
91.05469	2.6
91.07574	0.7
93.07024	1.7
95.04937	0.7
95.08604	1.8
97.10161	4.2
99.11744	4.0
101.79717	0.5
105.07014	2.0
105.82523	0.6
107.07030	3.2
107.08546	1.3
113.13284	1.7
113.77554	0.6
117.09101	5.6
119.08602	1.1
121.06471	0.7
121.10201	0.7
130.08655	1.9
131.07039	1.4
131.08537	1.2
133.08585	45.6
135.10156	0.9
149.09627	0.6
155.17891	4.7
161.11754	1.0
163.11172	0.8
175.09641	0.7
177.11192	18.5
199.20537	4.5
221.13811	2.9
225.58206	0.5
239.14949	0.9
240.23131	0.9
243.23212	7.3
273.54416	0.6
283.17545	1.6
287.25806	4.5
309.19156	0.7
327.20044	1.6
371.22604	5.6
403.08560	0.6
407.64389	0.5
437.34723	0.7
481.37366	0.9
525.39893	7.8
542.31342	0.7
542.40173	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75306	0.7
55.05733	0.8
85.02873	0.9
89.23025	0.8
98.97582	2.1
116.98644	1.0
128.98622	0.8
130.00237	1.0
139.00807	0.8
145.00789	1.3
160.01237	1.0
166.01358	1.1
181.01799	1.5
187.01849	1.0
190.02403	1.9
191.82576	0.6
201.00737	0.8
202.02203	0.7
219.01811	1.7
232.03464	2.4
261.02695	1.8
279.03812	1.0
321.04932	1.1
358.64136	0.8
363.06546	2.6
381.07867	17.2
381.12515	1.1
456.89978	0.8
543.13159	100.0
544.13440	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97017	0.3
67.05473	0.4
69.28045	1.4
70.06589	0.4
70.47326	0.2
72.08145	0.4
74.28399	0.2
79.64331	0.3
81.07043	0.7
85.02882	0.5
106.04130	0.3
107.08584	0.6
109.10149	0.3
114.68913	0.3
123.11800	0.3
155.01900	0.4
155.03084	0.6
173.02983	0.5
187.58734	0.3
201.03693	0.4
203.05247	1.1
245.06441	0.5
261.02209	0.6
266.59552	0.3
275.07587	1.6
317.08356	0.4
320.28040	0.3
333.07858	3.0
335.09424	14.6
411.19971	3.7
459.17908	0.4
543.24042	100.0
544.24249	4.6
552.97937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01866	6.9
55.02095	1.2
55.05251	1.9
55.05505	27.4
57.03418	5.1
57.07067	2.9
59.04980	2.1
65.03934	3.6
67.05495	43.6
69.03461	1.1
69.07061	13.9
71.04988	3.5
71.08611	1.4
79.05477	44.1
81.03407	8.9
81.07043	42.5
83.01331	1.9
83.04967	8.2
83.08605	17.0
85.02889	1.7
85.06519	2.9
91.05466	30.6
93.07032	41.6
95.04952	12.4
95.08590	23.4
97.06522	4.8
97.10147	10.1
99.04422	1.2
103.05476	1.3
105.04542	2.4
105.07020	23.0
105.20010	0.9
107.04947	6.9
107.08576	24.5
109.06497	5.8
109.10133	11.8
111.08078	3.7
115.05479	1.4
117.07003	15.7
119.08564	20.5
121.06459	2.5
121.10123	16.8
121.53445	0.9
123.08063	4.2
123.11713	2.9
125.09608	8.3
128.06247	2.0
129.06973	6.8
130.07748	1.6
131.08548	19.4
131.09448	1.5
133.10103	11.5
135.08044	2.9
135.11685	14.9
137.09677	1.7
139.11186	1.3
141.07010	2.7
142.07748	1.7
143.08553	7.5
145.06494	1.6
145.10100	21.5
147.08041	3.0
147.11707	6.2
149.09622	2.6
149.13289	5.1
151.11108	1.2
153.12703	1.7
155.08514	5.3
156.09303	1.4
157.06400	1.1
157.10052	6.7
159.08054	2.2
159.11690	11.4
161.13266	4.3
163.11140	15.3
165.12810	1.2
167.08551	1.4
169.10121	4.4
171.08040	2.5
171.11664	5.8
172.12108	1.2
173.09656	4.5
173.13223	7.3
175.11171	1.5
175.14836	3.3
179.08543	1.3
181.12253	3.3
183.11690	2.9
185.09633	1.5
185.13249	2.0
187.11267	1.2
187.14857	3.2
189.11218	3.1
189.16319	1.2
191.10704	2.4
195.11786	1.8
197.13295	2.0
199.11176	2.2
199.14841	2.5
201.12726	1.1
201.16469	1.9
205.71895	1.1
209.11569	2.1
209.13303	1.9
211.14876	1.3
219.17371	1.1
223.14915	1.3
227.12740	7.7
241.19508	1.3
243.21042	1.4
259.20514	1.7
261.22144	6.0
267.15839	1.6
275.20154	5.0
299.23672	8.7
301.21887	1.2
317.24878	2.0
415.29926	1.9
423.32471	1.4
433.30801	4.2
451.31793	7.0
469.33151	3.4
525.35577	13.1
542.54309	1.8
543.36749	100.0
544.37000	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
58.06578	0.7
65.03925	0.3
67.05460	0.4
69.03418	0.6
69.55640	1.0
69.55980	0.3
70.06590	0.8
71.04958	0.3
74.06065	0.7
75.04460	1.6
79.05481	0.5
81.03412	0.4
81.07033	0.7
82.06578	0.5
85.02900	0.7
87.04414	0.4
88.07632	0.5
91.05470	1.2
94.06550	1.6
95.04968	0.4
97.06564	0.4
98.06045	0.5
98.22738	0.7
103.05441	0.4
105.03358	0.4
105.07016	1.8
107.04934	0.3
107.07306	0.5
108.08094	1.9
109.06534	0.8
111.04469	0.4
111.08083	0.8
114.09210	0.4
115.05404	0.7
117.06989	0.8
119.04906	0.6
120.08079	0.4
121.02802	0.3
121.08858	0.3
123.04372	0.7
124.07566	0.6
126.09130	0.4
128.06203	0.8
129.06966	1.5
131.04973	0.5
131.07283	0.5
132.08057	0.7
133.02834	0.4
133.06485	0.5
134.09636	0.4
135.04401	0.5
135.07988	0.5
137.05994	0.7
138.09106	1.1
139.03885	0.4
141.06952	1.1
144.08102	0.8
145.06442	1.0
145.08876	0.5
146.09636	1.1
147.04413	0.6
147.07968	0.8
151.03824	0.3
153.06964	0.6
155.08571	0.8
157.08865	0.4
158.09636	0.8
159.08041	0.9
163.03891	1.0
165.06984	1.2
167.08577	1.2
170.09628	0.9
171.08038	0.6
172.08798	0.3
172.11302	0.4
173.09621	0.4
176.07045	0.7
177.05394	0.4
177.08989	0.4
178.07776	1.1
179.08531	1.4
181.06480	0.6
181.10138	0.7
182.09596	0.5
183.08061	0.5
188.10692	0.5
189.07048	0.4
190.07784	0.5
191.08582	0.7
193.06587	0.3
193.10147	1.7
195.08028	0.9
197.09673	0.8
200.10727	0.6
202.07791	0.7
203.08594	1.1
205.10138	1.0
206.07124	0.4
207.08044	1.9
209.09616	0.9
212.10599	0.4
213.09102	0.5
214.12234	0.4
218.07396	0.4
218.11716	3.0
219.08017	0.4
220.08806	0.7
220.13351	0.5
221.09628	1.5
223.07536	0.7
223.11176	1.0
224.10519	0.6
225.09167	0.5
226.12268	0.6
227.10651	0.4
231.08122	0.7
233.09583	0.7
235.07536	1.2
235.11133	0.6
236.10626	0.4
237.09111	1.0
238.12177	0.6
239.10841	0.5
244.13359	0.4
248.08112	0.3
248.10635	0.5
249.09064	1.3
251.10634	0.8
253.08617	1.0
255.10320	0.3
263.10654	0.5
263.15256	0.4
267.10153	0.7
277.08469	0.7
279.09918	0.4
281.11707	0.6
286.14658	0.3
291.09903	0.4
295.09634	0.5
296.12860	0.3
309.11301	0.8
310.14560	0.6
314.13773	0.5
316.15518	0.4
328.15469	0.5
338.13824	0.7
342.16870	0.7
346.16553	0.5
360.18155	0.4
370.16360	1.1
372.17850	0.3
374.19412	2.0
374.27304	0.4
376.17578	0.5
378.19012	0.4
388.17386	1.0
392.20673	1.1
402.19073	2.0
406.22208	0.6
420.20145	2.1
424.23273	3.8
434.21713	4.2
452.22647	4.8
466.24353	1.2
484.25351	18.3
485.25687	1.0
494.23846	0.7
512.24780	0.6
544.27448	100.0
545.27795	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	0.6
69.40898	1.4
70.06547	0.4
75.04472	2.0
81.03408	0.5
84.08112	0.7
85.02892	1.0
88.07635	0.6
91.00975	0.4
91.05466	0.8
93.00962	0.5
94.06548	1.1
95.04952	0.9
97.49416	0.4
103.03918	0.4
105.07001	0.7
109.02934	0.6
109.06483	0.7
111.04440	1.2
117.07007	0.8
121.02863	0.5
123.04442	0.9
125.02341	1.1
125.05972	0.8
128.06232	1.4
129.06973	3.8
131.08617	0.8
138.09116	1.5
141.06970	1.5
143.08549	1.5
144.08051	1.2
146.09676	1.6
153.06987	1.0
155.04904	0.6
155.08548	1.3
157.06508	0.6
158.09622	1.2
159.08058	1.8
161.09669	1.0
165.07030	0.9
167.08499	0.9
169.06480	0.5
170.09686	2.3
171.08054	1.1
172.11258	1.3
173.09604	1.0
174.09120	0.7
178.07733	0.7
178.12360	0.6
179.08464	1.4
183.08029	0.7
185.09711	0.7
187.07451	0.6
188.10655	0.6
194.09639	0.5
195.08096	1.4
197.09624	0.6
198.09207	0.5
201.09047	0.5
202.12247	0.7
203.08510	0.9
205.10124	0.9
207.08087	0.6
208.08783	0.6
209.09555	0.8
211.07341	0.5
219.08041	0.9
223.11185	0.6
225.09123	0.6
233.09648	0.7
237.09183	0.5
249.09164	1.0
250.12433	0.7
251.10806	0.5
279.10211	0.7
321.16656	0.5
326.14011	0.5
362.15970	1.0
370.16690	0.8
377.16553	0.5
388.17572	0.8
392.45029	0.6
402.18930	0.8
420.20032	6.1
452.22672	12.5
453.23032	1.0
484.25452	4.9
511.36426	0.5
512.24847	1.0
544.27441	100.0
545.27716	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	544.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	7.4
69.03423	0.8
69.36485	2.5
70.06583	2.3
72.08145	0.7
76.03618	0.5
81.07042	1.0
82.43930	0.5
85.02869	1.0
86.09689	0.7
91.05462	1.2
95.04943	0.9
95.08584	0.8
105.07046	1.3
108.08105	1.3
109.06493	0.6
117.07027	0.7
122.09655	1.2
123.08041	0.8
127.16333	0.6
129.06970	1.4
131.08524	0.6
137.05971	2.2
138.09126	1.2
140.10736	0.7
143.08575	0.7
145.06483	1.4
147.08049	0.8
152.10609	0.9
160.11208	0.7
163.03873	0.7
166.04965	0.6
167.08527	0.7
171.08109	0.7
176.10738	0.7
179.08572	1.5
181.06534	0.6
181.08565	1.0
181.10033	0.7
181.55800	0.5
184.11205	0.6
188.10739	0.6
191.08525	0.6
193.10110	1.2
195.08150	0.7
197.09587	0.8
203.08545	0.6
205.10172	1.0
207.08070	1.8
209.09631	1.1
211.07556	1.1
221.09706	1.4
223.11133	0.8
225.08977	0.7
232.13280	1.2
235.07712	0.7
237.09222	1.0
249.09036	1.2
251.10684	0.8
253.08589	1.2
261.02194	0.7
267.09998	1.1
277.08731	0.7
279.09998	0.8
292.13226	0.7
293.04663	1.1
300.16431	0.5
312.93643	0.6
327.55164	0.6
356.18777	0.8
388.21286	1.5
402.19052	0.7
406.22272	1.3
416.20639	1.7
424.23166	4.9
434.21634	1.9
448.23080	3.1
452.22696	1.1
466.24332	5.7
467.95996	0.7
484.25372	18.8
485.26382	0.8
508.25739	0.6
526.26263	0.9
544.27441	100.0
545.27673	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	544.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03930	0.7
56.05030	1.7
58.06594	6.7
67.05502	0.6
68.05019	0.3
70.06581	0.3
70.79166	0.3
71.04986	0.9
72.08147	1.0
75.04479	0.4
77.03908	1.2
79.05482	1.3
80.23015	0.2
81.03391	0.4
82.06570	0.7
84.08128	1.5
85.02888	0.5
86.09715	0.5
88.07613	0.8
91.05471	2.2
93.07028	0.6
94.06552	0.5
95.04956	5.0
96.08130	0.9
97.06538	0.3
98.09689	0.4
102.09157	0.7
103.05434	0.3
105.03381	29.1
105.04520	1.7
105.07007	1.0
106.03728	0.7
107.04945	0.9
108.08115	2.8
109.02900	0.2
110.06008	0.3
110.09655	0.4
112.07597	0.3
114.09193	0.4
115.05426	0.6
117.06990	1.2
119.04922	0.5
119.08565	0.3
121.06477	0.4
121.08868	0.5
122.09669	1.7
123.04420	0.7
128.06226	0.7
129.06979	2.1
130.06505	0.3
131.08580	0.8
133.06477	0.3
135.08020	0.3
138.09166	0.7
141.06972	1.2
143.08566	1.3
145.06476	0.7
145.10129	0.3
146.09647	0.5
147.08022	0.3
148.11162	0.5
150.09189	0.2
152.10666	1.4
153.06952	0.4
154.07722	0.3
154.12219	0.6
155.08525	1.4
157.06458	0.5
157.10158	0.7
158.09642	0.5
159.08075	0.5
159.10460	0.4
160.11153	0.3
165.06969	0.8
166.07840	0.5
167.08583	0.8
168.10255	0.4
169.10152	0.6
171.08009	0.5
171.10335	0.3
172.08797	0.3
172.11266	1.0
173.09566	0.3
174.12823	0.3
178.07765	0.9
178.12335	0.3
179.08594	1.2
181.10141	0.9
182.09712	0.3
183.08057	0.5
183.11786	0.3
184.11218	1.1
185.09718	0.7
185.11987	0.3
186.12695	0.3
190.12274	0.4
191.08524	0.4
192.09389	0.4
193.10146	0.9
195.11772	0.6
196.11282	0.7
197.09592	0.4
198.12735	0.7
202.12282	0.5
203.08615	0.4
204.09351	0.4
205.10141	0.8
207.11752	0.6
209.09554	0.5
210.12843	0.7
211.13501	0.4
214.12459	0.3
216.09447	0.4
216.13889	0.4
219.11755	0.4
221.09647	0.4
221.13289	0.4
222.12779	0.3
229.10208	0.3
231.11681	0.3
235.11275	0.3
237.12555	0.5
242.11176	0.3
249.12769	0.5
250.15916	0.3
266.15463	0.3
278.15344	0.3
279.13733	0.3
296.16464	0.4
304.17059	0.4
310.18054	0.3
312.19254	0.2
322.18073	0.6
328.19073	0.3
354.20584	0.4
372.21655	0.4
373.37659	0.3
390.19650	0.3
404.24551	0.5
422.25256	0.3
436.21152	3.3
437.21411	0.3
444.21713	0.6
444.88629	0.3
459.73755	0.3
462.22754	1.0
468.23550	0.3
476.24133	1.9
480.23935	1.0
494.25140	2.2
495.25443	0.3
508.26962	5.1
509.26828	0.3
512.26550	2.0
526.27911	4.5
544.29004	100.0
545.21167	0.5
545.29321	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	544.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03939	0.6
56.05024	1.6
58.06598	5.5
65.03924	0.3
67.05502	0.7
70.06599	0.4
72.08140	1.1
76.55457	0.4
77.03919	0.4
79.05466	2.1
80.04987	0.8
81.06086	0.4
83.05002	0.9
84.08137	2.1
86.09695	0.7
91.05470	2.4
93.07026	0.5
94.06596	0.7
95.04955	2.3
96.08161	0.4
98.09707	0.6
102.09160	1.2
103.05434	0.4
105.03381	16.5
105.04496	0.7
105.07047	1.8
107.04945	9.7
108.08112	7.8
109.06507	0.6
115.05436	0.7
117.07014	1.6
121.02805	0.9
121.08904	0.8
122.09661	4.3
124.11200	0.8
128.06189	1.8
128.10666	0.4
129.06984	2.5
130.07759	0.5
131.08571	2.7
133.10117	0.6
141.06956	1.3
143.08546	3.1
144.08075	0.5
145.06433	0.4
145.10147	1.0
146.09634	0.5
153.06924	0.7
154.07689	0.6
154.12259	0.6
155.08560	1.4
157.06442	1.0
157.08838	0.4
157.10118	0.5
158.09657	0.8
159.08115	0.5
160.11201	0.8
165.06982	0.8
166.07750	0.6
167.08572	1.4
169.06471	0.7
169.10139	1.0
171.08115	0.7
172.11223	0.9
173.12061	0.7
174.12831	0.7
178.07771	1.0
179.08517	0.7
181.10060	1.0
185.09508	0.5
186.12769	2.7
187.13509	0.8
188.14316	1.6
191.08546	0.7
193.10207	1.1
195.11685	0.7
199.11353	0.4
202.12343	0.4
205.10083	1.2
207.11714	0.7
209.09538	0.5
210.12721	0.5
212.14241	0.8
214.12082	0.5
218.11667	0.4
218.15338	0.7
238.16127	0.4
239.10706	0.7
242.11694	0.6
244.13318	0.7
310.17926	0.6
312.19830	0.5
322.17944	1.2
330.16672	0.5
340.19101	2.2
354.20575	0.5
358.20187	1.1
369.03870	0.5
372.21762	0.7
390.22519	4.9
422.25305	0.4
444.21323	0.5
462.22659	1.2
480.23785	7.0
494.25610	0.8
512.26392	11.6
513.26801	0.8
544.28986	100.0
545.29382	7.1
564.55353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2902
Annotation	Gadenine
Peak:m/z	Relative Intensity
51.33061	0.2
55.01835	0.3
56.04975	1.0
57.43206	0.2
58.06540	7.2
67.05454	0.6
68.04979	0.4
68.40344	0.2
69.03374	0.4
69.57552	0.7
70.36082	0.2
71.04931	0.9
72.08135	1.6
79.05481	1.6
81.06995	0.7
84.08080	0.8
85.02881	0.5
86.05998	0.3
86.09634	0.3
88.07569	1.0
91.05457	3.0
93.06969	0.9
93.07497	0.2
93.11005	0.2
95.04950	1.6
95.08559	0.3
96.08109	2.0
96.62025	0.2
98.09656	0.3
98.23384	0.4
102.09118	0.4
103.05387	0.3
105.03378	6.2
105.04417	0.4
105.07015	1.7
106.97469	0.3
107.04905	1.5
107.08512	0.4
108.08099	4.0
109.06470	0.3
110.09606	0.5
114.09092	1.0
115.05454	1.2
117.06982	2.1
119.04865	0.5
119.08498	0.5
121.06466	1.7
122.09643	1.6
123.06758	0.4
124.11104	0.7
125.05911	0.3
126.09100	0.7
127.11157	0.4
128.06148	0.7
129.06972	2.4
129.94089	0.2
131.04855	0.4
131.08522	1.6
133.06400	0.6
133.26326	0.2
134.09576	0.7
135.08020	0.4
137.05885	0.3
138.09058	0.9
140.10614	1.2
141.06914	1.2
142.07698	0.3
143.08473	1.1
145.06390	0.6
145.10107	0.5
145.12244	0.2
146.09515	0.8
147.07906	0.7
148.11122	0.6
149.06026	0.3
151.09856	0.6
152.10588	0.4
153.06903	0.4
155.08539	2.2
156.10176	0.4
157.06433	0.4
157.10027	0.3
158.09572	0.9
159.07999	0.4
160.11157	0.5
161.09634	0.4
163.07565	0.4
165.06946	1.1
166.07632	0.4
167.07169	0.4
167.08482	1.3
169.10023	0.7
171.08060	0.6
172.11118	0.8
174.12692	0.3
176.10622	0.3
178.07655	0.7
179.08524	1.5
180.09230	0.4
181.06615	0.3
181.10083	1.5
183.07961	0.8
185.09558	0.4
188.10567	0.9
191.08452	0.9
192.09239	0.5
193.10039	1.1
195.07944	0.6
195.11702	0.7
197.09465	0.5
203.08528	0.8
204.09195	0.8
205.10077	1.4
206.10951	0.3
207.07892	0.4
207.11604	1.2
208.08693	0.4
209.09541	0.7
211.11197	0.4
215.16420	0.3
216.09273	0.4
216.67192	0.3
217.10104	0.8
218.11050	0.3
219.11705	1.4
221.09541	0.6
221.13234	0.5
222.10408	0.3
223.11104	0.6
231.11671	0.4
233.09575	0.3
234.12488	0.3
235.11031	0.9
237.12666	0.8
244.13124	0.3
247.11092	0.3
249.12608	0.6
250.15929	0.3
251.14366	0.3
255.13696	0.3
259.10983	0.4
265.12161	0.6
266.15405	0.4
267.13626	0.5
279.13596	0.4
280.17017	0.3
282.14688	0.3
292.16818	0.4
310.17911	0.7
314.17508	0.4
322.17847	0.7
324.19504	0.7
326.17383	0.7
328.19022	1.0
336.19260	0.4
340.19070	1.4
342.20560	0.5
344.18460	0.8
354.20575	1.4
358.20129	0.8
360.21820	0.5
372.21613	12.1
373.21799	0.4
374.23114	0.3
376.21033	1.5
386.23166	2.0
390.22351	0.4
404.24237	40.4
405.24670	2.0
422.25272	22.6
423.25720	1.1
526.27893	2.9
544.28961	100.0
545.29816	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	544.29
Annotation	CHEBI:66449
Peak:m/z	Relative Intensity
50.18217	0.5
56.05025	1.0
57.07066	4.1
58.06588	2.0
60.73386	0.4
69.88877	1.0
69.89236	1.2
70.06584	0.9
74.06056	1.7
79.05451	0.6
81.03436	0.5
81.07044	1.5
82.69799	0.5
84.08130	0.8
85.02876	0.6
86.06059	0.6
89.31074	0.5
91.05452	2.1
93.07030	1.3
94.06546	1.5
95.04955	1.4
95.08570	1.1
105.03384	4.7
105.04487	0.5
105.07014	3.2
106.03671	0.7
107.04971	1.2
108.08105	2.7
108.08745	0.6
110.06028	0.7
117.06997	1.0
119.08535	1.2
121.06512	0.7
122.09639	0.9
128.06189	1.0
129.06992	1.8
131.08536	1.3
132.08035	1.2
134.09622	0.6
141.06969	1.0
143.08556	1.9
144.08069	0.8
145.06384	0.7
146.09630	0.9
148.11148	0.8
149.32487	0.5
155.08577	2.5
157.08839	1.8
157.10042	0.7
158.09622	6.0
160.11182	0.9
162.09094	0.7
165.06990	1.8
167.08620	1.4
169.10104	1.1
174.09152	1.4
176.10710	1.1
178.07785	0.9
179.08522	2.2
180.09340	0.8
181.08704	0.6
181.10130	1.9
184.11145	0.9
186.12680	0.7
186.34273	0.5
188.06920	0.5
190.12009	0.5
191.08578	0.8
192.09303	0.9
193.10097	2.2
194.10950	0.8
195.11716	2.8
197.09616	0.5
197.13321	0.6
204.09285	0.7
205.10075	1.5
206.10870	0.6
207.11681	1.1
209.13161	0.9
217.10374	0.8
219.11633	1.4
221.13278	1.1
222.12788	0.7
230.10854	0.7
235.14821	0.9
235.92979	0.5
237.12717	1.0
250.15794	0.6
251.14287	0.8
263.14197	0.7
266.15469	0.7
266.18872	0.6
276.17566	1.1
294.18472	3.7
304.16794	1.0
310.33389	0.5
312.19623	1.5
322.17941	4.2
340.19073	2.0
347.18588	0.8
354.20633	1.2
382.20001	8.6
390.22659	1.3
400.20828	1.0
442.26239	1.1
456.27939	3.3
470.25421	4.8
484.26913	9.3
485.27084	0.7
512.27423	1.7
526.27698	0.6
544.28961	100.0
545.28864	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	545.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.8
69.03422	15.8
70.44213	1.7
72.46792	0.9
79.05501	1.6
81.03408	1.1
81.07047	1.6
91.05475	1.8
97.02884	100.0
98.03230	1.2
107.04920	1.0
112.66622	0.8
113.00066	0.7
121.02878	1.4
124.26540	0.8
139.03883	25.0
149.09616	0.9
157.04968	11.4
193.12279	0.9
199.05992	2.0
243.69890	1.0
257.47272	0.9
287.05466	1.1
299.05453	1.8
315.77472	0.8
337.07132	1.1
365.06592	3.7
406.15756	0.8
424.20090	0.9
449.01578	0.8
485.10434	1.1
545.30536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.05502	0.8
57.07066	4.5
58.06581	0.8
67.05489	2.3
67.86655	0.6
68.99722	0.7
69.03054	1.0
69.03418	16.1
71.04980	0.7
74.06068	0.9
79.05485	1.2
81.07047	1.4
85.02902	1.3
91.05441	2.9
93.07038	2.1
95.08608	1.1
97.02879	100.0
105.03376	1.1
105.07021	2.6
109.06486	0.7
115.03951	1.0
117.07061	0.9
119.04962	0.7
119.08543	1.6
121.02843	4.7
129.06970	0.9
131.08522	1.0
133.10103	1.4
137.05974	0.6
139.03874	26.9
141.06976	0.9
143.08553	1.4
146.09621	1.1
153.01785	0.9
155.08586	2.0
157.04956	11.7
158.09674	2.8
159.04440	0.7
159.08081	0.9
162.09128	1.0
165.07042	0.9
174.09064	3.5
176.10814	0.8
179.08635	1.5
191.06975	1.2
193.10135	1.3
194.10541	0.8
195.11703	0.9
199.06044	1.6
203.03445	0.8
205.08626	1.0
209.13278	1.2
216.08974	0.7
232.85910	0.7
261.08694	0.6
279.43347	0.6
287.05450	20.3
287.08524	1.1
299.05524	6.8
305.09329	2.1
309.07434	1.1
311.05548	2.1
312.19647	1.9
313.03860	0.9
313.07156	1.4
315.05234	0.7
322.18253	1.5
323.05737	1.0
327.08582	1.1
329.17490	0.7
330.17819	1.4
335.09796	0.7
336.12244	0.8
337.07077	2.4
340.18997	5.4
341.19299	2.9
347.18503	2.0
348.18964	1.1
351.13596	1.7
353.06659	1.5
355.08398	1.8
358.20050	0.9
365.06540	10.9
371.07767	0.8
383.07565	7.6
404.27145	1.6
414.26678	2.9
415.26907	0.9
422.28082	0.9
425.08905	1.7
426.49011	0.7
442.25891	10.3
443.09415	1.3
443.26236	4.7
485.10880	4.4
526.28076	0.7
529.15442	0.7
544.32617	45.7
545.12427	6.7
545.19391	1.8
545.33032	27.1
574.36853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01849	1.6
55.05514	3.8
56.05013	0.6
56.88863	0.6
57.03419	1.8
57.07060	1.5
57.52528	0.7
58.06580	3.0
61.02914	4.2
65.03933	0.6
67.05502	6.6
69.03412	2.9
69.07047	2.6
70.96040	1.1
71.04970	0.7
72.08141	1.3
73.02905	1.8
74.06055	1.0
76.66680	0.6
77.03915	1.6
79.05478	8.4
81.03409	3.3
81.07034	6.3
83.04979	1.7
83.08610	2.0
85.02898	4.4
91.03952	1.8
91.05454	4.9
92.05770	0.9
93.07037	3.2
94.06515	0.7
95.04967	4.6
95.08584	2.8
97.02895	4.0
97.06544	1.1
97.10153	3.3
98.75345	0.7
99.04446	0.8
99.08053	0.7
101.02359	0.9
102.09198	1.1
105.03383	7.3
105.04494	1.1
105.06980	4.8
106.03711	2.7
106.07359	1.0
107.04953	5.1
107.08570	2.3
108.08086	1.8
109.02887	1.3
109.06500	1.4
109.10159	2.0
111.04427	1.0
117.07005	1.7
117.42528	0.6
119.04909	0.6
119.08562	2.4
120.02071	3.2
121.02891	0.8
121.06445	1.7
121.10133	2.0
122.09655	0.8
123.08033	2.5
125.09578	3.1
127.03877	1.7
128.06281	1.0
129.06979	2.6
131.08545	2.6
133.10063	1.9
134.03613	5.1
135.04401	22.5
135.08038	1.1
135.11685	0.9
137.05975	1.3
138.03069	1.5
141.06944	0.8
143.08469	1.3
145.06450	1.4
145.10083	1.9
147.07988	1.0
147.11655	1.2
149.09575	1.0
153.12775	0.8
154.12238	0.7
155.08502	2.2
157.10077	1.2
158.09578	0.7
159.11671	1.2
161.09587	1.1
163.03880	39.6
163.11174	2.0
165.05522	1.6
165.06953	0.8
165.09068	1.0
167.08493	0.8
173.09593	1.1
180.09010	0.7
181.10007	1.1
181.12247	1.0
189.11247	4.2
191.10677	1.0
193.10130	1.3
193.12154	0.7
194.10405	1.0
195.06500	20.0
195.11630	1.4
203.08307	0.7
207.11607	1.0
211.13173	0.8
221.13330	1.1
222.13629	1.0
227.12775	2.8
234.07802	2.4
247.08519	1.1
262.07248	3.6
263.07983	1.1
263.20032	0.7
267.07532	0.8
267.15726	0.8
273.18359	3.3
275.08127	1.6
276.17496	1.5
277.09982	0.7
277.17691	0.7
278.06805	0.9
290.08020	14.1
291.07547	4.0
291.19452	7.5
292.09735	4.0
293.09293	0.8
303.07571	1.1
305.09143	71.2
306.06723	1.1
306.09897	1.1
307.10681	7.5
308.09137	0.9
309.20242	0.7
319.07162	1.0
319.10745	1.9
320.09290	1.0
321.08582	6.6
322.17804	1.3
323.18460	1.2
335.10196	9.1
336.12268	20.4
337.12881	0.8
338.13773	4.3
347.22089	1.2
348.18646	0.8
351.13327	100.0
352.13632	4.9
365.23035	2.0
371.24051	1.6
372.24411	1.7
373.24539	1.1
376.23804	1.9
382.19879	1.2
383.20239	1.4
383.24356	3.6
402.26230	1.1
403.26724	3.9
404.26910	6.6
405.27109	3.8
415.22842	0.9
421.27753	3.7
422.27991	9.2
423.28314	3.9
442.22040	2.4
443.22253	4.1
484.26389	1.1
485.26859	1.7
513.16492	2.1
526.30798	1.4
544.31604	35.0
545.18970	10.1
545.30249	48.4
546.19800	0.8
546.29364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	0.5
55.05462	0.7
56.04973	1.4
58.06526	7.1
59.06859	1.3
59.07133	0.4
64.44393	0.4
65.03878	0.4
66.04647	0.4
67.05441	0.7
69.03367	0.8
69.07007	0.6
70.06540	0.9
71.04912	1.9
71.61572	0.4
72.08078	4.9
73.08407	1.4
75.04399	1.8
77.03866	1.0
79.05486	3.6
80.04937	0.6
80.05743	0.7
81.03346	0.9
81.06976	1.4
83.04906	0.6
84.08090	1.1
85.02835	0.8
85.06483	1.1
86.09666	0.5
87.04401	0.5
88.07614	0.6
91.05464	5.0
92.05728	1.9
93.06962	1.6
94.04108	0.8
94.06489	0.5
94.07319	0.8
95.04967	2.3
95.08533	0.6
96.05225	1.1
96.08028	0.5
97.02820	0.6
97.06432	1.7
98.09654	0.9
98.22655	0.9
102.09153	2.5
103.09418	1.2
105.03391	7.7
105.04428	1.4
105.07011	3.1
106.03718	3.5
106.04755	0.7
106.07287	0.9
107.03852	0.5
107.04874	0.8
107.08517	1.0
108.08099	3.9
109.06437	1.1
109.08442	2.0
110.06736	0.5
110.08749	0.7
111.07967	0.5
115.05377	0.9
117.06908	1.6
118.07302	1.3
119.08511	0.9
121.02749	0.4
121.06410	1.4
122.03649	2.8
122.06775	0.7
122.09567	1.5
123.08010	0.5
123.09956	1.0
124.11147	1.2
128.06157	0.9
129.06895	2.6
130.07240	1.4
131.07600	0.5
131.08531	2.1
132.08794	1.4
133.06400	0.6
135.07964	1.2
137.02298	0.7
137.05956	8.8
138.06252	0.5
138.09026	0.8
141.06880	1.8
142.07240	0.8
143.08466	1.8
144.08774	1.1
145.06407	0.6
145.10037	0.6
147.08006	0.6
147.11530	0.4
148.08261	0.8
148.11092	0.6
149.05821	0.4
149.09592	0.6
149.11517	0.6
151.03886	2.5
153.06865	1.0
154.07259	0.7
154.12180	1.4
155.08559	2.3
155.12537	0.8
156.08850	1.0
157.08926	0.6
157.10100	0.9
158.09509	1.4
159.07892	0.5
159.09908	0.8
160.11028	0.7
161.11478	0.5
165.05464	21.5
165.06863	1.7
166.07257	1.1
166.12129	0.6
167.08348	1.5
168.08788	1.4
169.10100	0.8
170.10507	0.9
172.11075	0.6
175.57800	0.4
177.09096	0.5
178.07649	0.8
179.08308	1.7
179.12561	0.7
180.04135	6.8
180.08784	1.9
181.09914	1.2
182.10362	1.2
185.09547	0.8
185.11382	0.4
186.12596	0.4
189.09183	0.4
192.08859	0.9
192.79965	0.4
193.09862	1.5
194.10367	1.5
195.06502	31.7
195.11562	1.0
196.06827	0.6
197.09554	0.5
199.12978	0.4
203.08311	0.9
204.08893	0.9
205.09866	1.4
206.10374	1.5
207.11267	0.6
208.11896	1.1
209.12943	0.4
211.10609	0.6
216.08844	0.6
217.09828	0.8
217.22693	0.4
218.10480	0.8
219.11525	0.7
220.11737	0.6
221.17368	0.6
222.13341	0.7
223.10384	0.5
228.13550	0.4
229.09792	0.4
233.11526	0.7
234.07770	1.9
234.12074	1.1
247.06264	0.7
247.08772	0.7
251.13190	0.4
252.14250	0.5
262.07327	1.8
262.15805	0.6
263.08182	0.6
264.14523	0.5
266.15372	0.6
267.07501	0.5
275.07996	0.7
276.17450	0.5
278.07983	1.2
290.08078	19.9
291.07834	1.9
292.09668	4.3
294.18387	0.5
295.18762	1.0
303.07742	0.6
304.09360	0.5
305.09149	41.6
306.06787	2.2
306.10056	0.8
307.11206	4.3
307.18539	1.0
308.19092	0.5
312.19022	0.7
313.19791	0.9
319.07016	0.6
319.10547	1.0
320.08978	1.1
321.08569	4.1
323.11536	0.7
325.19748	0.8
326.20532	0.7
329.18082	0.5
335.06543	0.5
335.10199	5.4
336.12247	36.3
337.12653	1.3
338.13834	5.7
338.20444	0.5
339.21332	2.0
340.21848	1.4
342.20102	0.6
343.20786	1.1
344.21082	0.9
345.22278	0.5
351.13336	59.3
352.13730	2.9
357.22433	0.6
358.22638	0.9
370.23770	2.1
371.24039	5.8
372.19968	0.8
372.24365	9.7
373.24600	3.5
374.23264	1.6
375.23523	3.9
376.23874	5.9
377.24185	2.7
383.20416	0.9
388.24551	0.5
389.25119	1.8
390.25519	2.6
391.25610	1.1
402.26251	4.7
403.26672	16.1
404.26968	29.0
405.27252	14.9
420.27405	4.7
421.27707	15.6
422.28003	29.6
423.28290	13.2
485.27551	0.7
494.28366	0.7
513.16388	0.8
526.30579	1.0
527.30640	0.6
544.31714	100.0
545.18787	7.4
545.32013	76.3
546.31842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.4
55.05496	14.9
67.05495	25.1
69.07059	10.3
69.66112	22.3
70.04040	8.8
74.99864	6.9
79.05474	38.5
81.07043	91.8
83.04970	17.8
85.02898	8.6
91.05482	22.2
93.07033	16.1
95.04955	20.3
95.08589	18.9
97.02823	8.3
97.06509	6.8
97.10194	6.7
105.03368	11.1
105.07008	15.3
107.04958	7.2
107.08601	11.6
109.06502	41.5
109.10138	7.5
111.04432	18.9
119.08559	21.6
121.06464	7.3
121.10116	16.0
122.10308	6.7
125.09597	9.5
128.06262	6.1
131.08546	11.2
132.49036	7.3
145.10138	15.8
147.08052	14.7
159.11606	6.8
161.09631	8.6
163.11148	14.4
171.35110	6.8
249.14870	13.8
273.18390	23.5
291.19479	100.0
305.09338	10.6
351.13235	10.5
365.23117	48.9
545.33649	12.4
546.24414	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	545.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.4
59.38107	9.5
67.05497	29.3
70.04066	20.0
70.57574	20.0
79.05473	41.8
81.03413	12.8
81.07042	100.0
83.04955	19.6
83.08615	12.4
85.02884	15.7
91.05470	34.9
93.07029	32.1
93.29553	8.6
95.04955	16.5
95.08620	10.2
105.03427	10.2
105.07024	13.5
107.04928	11.7
107.08549	11.5
109.06505	40.4
109.10155	8.8
111.04442	16.8
117.06970	10.4
119.08568	26.1
121.06519	16.1
121.10113	17.3
131.08527	15.0
135.11621	12.6
145.10112	21.0
147.08012	12.9
153.12717	9.8
224.41017	8.5
229.14413	9.3
262.18726	9.5
273.18411	16.6
291.19482	87.0
347.22195	14.1
365.23135	68.1
545.31738	42.0
546.25195	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01864	5.3
55.05253	2.6
55.05506	36.4
56.38218	1.1
57.03435	10.8
57.07058	2.5
59.04997	1.9
60.47757	1.3
65.03925	3.8
67.05496	77.7
69.03440	6.2
69.07063	21.8
69.93921	2.9
69.94289	3.0
71.04984	7.5
71.08617	2.1
72.70398	1.2
77.03889	1.3
79.05485	69.4
81.03408	42.8
81.07046	74.5
83.04970	9.5
83.08613	30.6
85.02901	16.3
85.06549	4.0
86.09703	4.4
91.05467	54.5
93.07030	70.2
95.04961	32.1
95.08595	48.9
95.09211	2.4
97.06505	7.5
97.10161	16.8
99.08081	3.4
103.05460	2.3
104.10743	6.5
105.04524	3.6
105.07016	51.3
107.04939	8.0
107.08582	31.9
109.06507	7.9
109.10142	21.3
111.04428	1.8
111.08092	9.2
113.06026	2.0
115.05441	3.8
117.07004	17.4
117.38993	1.4
119.04956	1.8
119.08561	33.5
121.06503	5.7
121.10129	27.5
123.08066	4.3
123.11682	7.0
124.99953	2.6
125.09633	12.5
128.06235	1.7
129.06998	14.7
131.08557	26.5
133.06511	3.1
133.10106	22.5
135.08092	4.9
135.11684	15.9
137.09631	3.9
137.13281	2.0
139.11241	1.7
141.06946	2.0
142.07724	3.0
143.08531	8.6
145.06386	1.8
145.10110	20.3
147.08025	2.9
147.11659	18.8
147.12720	2.0
149.09604	5.3
149.13223	8.2
151.11201	3.5
154.11565	1.3
155.08595	3.5
157.10101	15.1
159.11696	9.4
161.09567	1.8
161.13301	7.0
163.11189	2.7
163.14812	2.8
165.12761	4.1
169.10129	4.2
171.10324	1.3
171.11693	5.0
173.13200	9.3
175.11162	9.6
175.14851	3.5
177.12772	1.3
183.11691	4.3
184.07259	7.5
185.13327	5.4
187.14865	5.3
189.09396	1.1
189.11229	5.5
193.12219	32.8
195.11693	2.2
197.13278	1.7
199.14795	3.3
201.12833	1.6
201.16408	2.6
209.13486	1.8
211.11258	1.1
211.13234	29.0
225.16341	2.4
227.12784	8.6
243.21033	1.5
253.14374	2.0
261.18478	1.3
261.19659	1.4
261.22092	10.8
267.15860	12.8
269.17511	1.4
275.20102	1.8
285.22324	3.6
287.20129	1.6
299.23511	1.7
301.25208	9.9
303.23285	2.3
335.25867	9.9
357.28198	1.9
417.31491	2.5
421.25885	2.2
435.27435	1.8
435.32584	7.9
453.33691	12.4
471.34863	8.6
475.31195	1.6
509.36472	2.9
527.37195	37.3
528.37878	2.0
545.38361	100.0
546.38007	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01857	6.5
55.05250	2.8
55.05505	39.6
55.83159	1.5
57.03424	9.8
57.07072	4.6
59.04992	1.2
63.91418	1.4
65.03934	4.2
67.05499	77.5
69.03415	5.0
69.07061	19.1
69.19347	4.0
69.19742	2.1
71.04991	4.1
71.08608	2.0
79.05031	3.1
79.05483	48.2
81.03411	31.2
81.07048	69.9
83.04963	7.6
83.08613	23.4
85.02872	2.0
85.06532	4.5
89.06018	4.0
91.05473	39.1
91.91727	1.4
93.07036	46.7
95.04958	21.4
95.08596	47.0
95.09209	2.2
97.06538	6.6
97.10165	21.9
99.08063	2.6
105.04515	2.0
105.07018	34.2
107.04948	10.2
107.08581	31.9
109.06502	7.3
109.10136	29.7
111.08085	4.9
113.09620	1.5
115.05418	1.5
117.07021	16.7
119.08573	33.6
121.06498	11.2
121.10135	19.9
123.08013	6.7
123.11707	12.8
125.09612	20.9
129.06985	12.5
131.08560	23.4
133.06477	3.6
133.10110	22.8
135.08061	7.9
135.11673	13.4
137.09601	4.8
139.11131	2.7
141.07001	3.8
142.07771	2.1
143.08575	7.1
145.06514	2.8
145.10104	25.1
147.08028	4.6
147.11662	18.6
149.09589	4.9
149.13177	7.2
151.11200	3.2
153.09105	2.1
155.08568	4.0
157.06430	1.8
157.10068	11.6
159.08066	4.4
159.11676	19.9
161.09612	2.5
161.13240	9.1
163.11140	5.5
163.14822	3.9
165.12791	2.5
167.08434	1.6
169.10100	4.8
171.10396	1.8
171.11629	6.8
173.09624	2.4
173.11914	2.3
173.13231	10.6
175.11172	4.8
175.14835	5.9
177.12744	3.1
177.16376	1.4
181.10089	1.5
183.11679	4.7
185.13289	6.0
187.11107	2.6
187.14821	7.7
189.11230	14.5
189.16383	2.1
193.12276	10.5
197.13246	4.2
199.14809	3.7
201.16380	3.0
205.12216	2.2
209.13335	2.1
211.13196	2.2
211.14941	1.9
213.16324	2.1
214.94731	1.5
223.14990	1.5
225.16394	1.4
227.12729	16.2
233.15395	2.7
243.21176	3.0
247.16927	3.0
249.14716	2.0
261.18396	2.1
261.19287	2.2
261.22122	19.1
267.15869	24.2
279.23160	2.6
280.46054	1.4
283.24084	1.4
285.22076	4.1
299.23721	2.9
301.25223	20.3
303.23126	3.5
317.24713	3.2
329.21298	1.7
329.24771	1.6
335.25769	20.5
357.27802	2.6
359.25778	3.1
417.26614	1.9
417.31659	1.8
421.25919	2.8
435.27292	2.9
435.32410	9.1
453.33514	15.6
471.34787	11.0
489.36328	1.7
501.35117	1.3
509.35947	3.2
527.37286	59.9
528.37524	2.3
545.38300	100.0
546.38519	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.3
53.03938	5.8
55.01870	7.0
55.05507	35.9
57.03422	9.6
57.07050	4.0
65.03961	3.3
67.05495	79.2
69.03419	5.7
69.07058	22.8
71.04998	6.7
71.44910	2.0
77.03906	2.9
79.05481	75.4
81.03408	46.1
81.07049	78.7
83.04974	12.8
83.08617	28.4
85.02885	26.5
85.06541	5.0
91.05467	67.0
91.06039	2.3
93.07030	75.4
93.19300	1.6
95.04961	37.7
95.05527	2.9
95.08595	50.4
97.02885	2.7
97.06528	7.9
97.10154	8.9
99.08141	3.0
103.05512	2.4
105.04554	4.5
105.07015	49.9
105.07729	2.6
107.04926	7.7
107.08576	37.9
109.06524	7.4
109.10146	21.8
111.04478	1.8
111.08063	9.1
115.05473	2.7
117.06988	15.4
119.08557	34.3
120.48576	1.7
121.06532	3.7
121.10123	36.8
121.10964	2.1
123.08093	5.3
123.11757	5.5
124.12922	1.6
125.09653	5.9
128.06207	2.3
129.06976	11.0
131.08536	24.2
131.09425	2.0
133.06454	2.8
133.10114	22.4
135.08073	2.7
135.11671	18.6
135.12451	1.4
137.09628	4.6
140.95662	1.5
141.07033	2.1
142.07751	2.4
143.08577	7.5
145.10106	17.6
147.08066	2.8
147.11668	21.5
149.09618	5.6
149.13252	9.0
155.08577	2.2
157.10106	10.4
159.11716	10.4
161.09665	3.3
161.13219	8.0
163.14835	2.0
165.12831	3.8
171.11714	5.6
173.13315	5.9
175.11127	12.5
183.11708	3.3
185.13249	4.0
187.14827	3.8
189.11224	2.4
193.12234	47.7
197.13324	4.2
199.14780	2.5
201.16461	2.3
211.13243	43.9
227.12811	3.8
227.17880	2.2
228.23338	2.5
243.21042	2.4
256.26498	3.0
261.22214	10.3
267.16028	7.5
275.20218	3.2
285.22144	2.4
299.23746	2.1
301.25348	6.9
333.24219	2.4
335.25931	4.9
417.31525	2.4
435.32401	8.2
453.33676	6.5
471.34311	3.0
509.35919	1.9
527.37311	27.8
545.38440	100.0
546.38696	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01869	6.0
55.05251	2.7
55.05503	40.8
57.03431	11.6
57.07063	4.0
58.94796	1.2
59.04984	1.3
64.36015	1.5
65.03924	3.9
67.05495	78.9
68.05867	1.3
69.03432	4.2
69.07057	20.8
70.59008	1.3
71.04985	4.7
71.08611	2.7
79.05481	48.3
81.03408	25.6
81.07044	69.5
82.07384	1.6
83.04976	7.6
83.08617	21.9
85.06529	4.8
86.09697	2.5
91.05463	44.3
93.07030	46.5
93.07596	2.7
95.04955	27.3
95.08596	45.0
95.09206	2.3
97.06509	9.3
97.10153	25.1
98.22600	2.6
99.08089	1.9
105.04521	2.3
105.07022	35.4
107.04929	9.9
107.08588	30.3
109.06505	7.7
109.10133	28.7
111.08084	5.5
115.05443	2.6
117.07019	19.8
119.08561	30.9
121.06480	9.3
121.10121	21.3
123.08057	5.4
123.11705	10.8
125.09607	18.3
128.06194	2.7
129.06993	10.0
131.08543	27.1
133.06493	3.5
133.10123	23.1
134.20941	1.3
135.08047	5.6
135.11670	14.1
137.09605	4.8
137.13228	2.5
141.06935	1.7
142.07832	2.1
143.08530	11.4
145.06496	3.5
145.10091	23.4
146.98178	4.9
147.08034	4.9
147.11647	15.5
149.09634	7.9
149.13280	6.3
151.11150	2.8
153.09081	2.0
155.08487	6.8
157.10112	12.5
159.08035	3.2
159.11664	15.6
161.09625	2.1
161.13219	8.2
163.11162	4.1
163.14879	3.2
165.12706	2.4
167.08630	2.5
169.10139	4.4
171.11668	8.8
173.09579	2.1
173.13220	13.5
175.11162	6.2
175.14819	5.5
177.16335	1.8
181.10098	1.8
183.11665	5.5
185.13246	6.3
187.11212	1.9
187.13313	1.8
187.14803	7.3
189.09055	1.5
189.11211	11.0
189.12704	2.3
189.16348	3.4
191.10631	1.7
193.10600	2.2
193.12183	12.1
195.11769	1.3
197.13289	5.0
199.14813	3.7
201.12689	1.4
201.16444	2.5
203.14349	2.0
205.12375	1.5
209.13303	2.0
211.13106	2.6
211.14917	3.0
215.14381	1.3
219.13821	1.8
225.16412	1.9
227.12708	17.1
233.15352	2.8
243.21089	2.9
245.19052	1.9
247.16982	2.6
249.14819	1.8
259.17014	1.6
259.20480	2.3
261.22122	12.7
267.15900	24.6
273.18433	2.4
277.21646	2.5
283.24063	3.0
285.22192	5.1
293.21335	2.5
295.22650	1.5
299.23669	3.1
301.21838	3.0
301.25189	24.8
303.23224	3.3
317.24796	3.1
329.21317	1.8
333.24063	1.7
335.25790	16.0
340.29535	1.5
343.22699	2.2
355.26193	1.9
359.25830	2.6
403.24866	1.8
417.31470	2.0
421.25473	2.6
435.27316	2.4
435.32538	9.3
453.33527	18.2
464.16159	1.5
471.34692	12.9
475.30875	2.3
486.26370	4.5
501.35965	2.6
509.36288	3.2
527.37262	64.2
545.38617	100.0
546.38538	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	545.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03939	4.9
55.01869	4.7
55.05505	33.5
55.05775	1.7
57.03432	11.1
57.07063	4.1
59.04989	2.2
65.03928	6.1
67.05496	82.0
69.03415	4.2
69.07057	21.2
69.47705	1.8
71.04985	7.4
71.08627	1.6
77.03912	1.6
79.05483	75.7
80.05827	0.7
81.03406	50.7
81.07045	73.3
82.07382	1.4
83.04966	13.1
83.08110	1.7
83.08607	25.8
85.02898	21.7
85.06525	3.9
89.06032	0.8
91.05016	1.1
91.05466	66.7
93.07034	71.1
95.04469	0.8
95.04955	34.2
95.08595	44.3
97.02896	2.2
97.06509	6.4
97.10160	9.2
99.08104	2.7
103.05498	1.0
105.04499	3.4
105.07018	44.6
107.04942	6.6
107.08581	34.0
109.06493	6.8
109.10150	17.4
111.04444	1.9
111.08071	11.7
113.05999	2.2
115.05450	2.9
116.06181	1.0
117.07009	13.0
119.04857	0.9
119.08560	33.0
119.09410	1.7
121.06522	3.5
121.10128	32.8
122.10450	0.8
123.08043	4.3
123.11677	6.6
125.09616	5.3
128.06219	1.7
129.06966	13.4
130.07794	1.0
131.08549	27.9
133.06503	4.0
133.07495	1.2
133.08585	1.5
133.10115	23.9
135.08041	2.5
135.11667	16.3
137.09634	3.4
137.13248	1.6
141.06987	2.6
142.07790	3.6
143.08551	3.2
145.10107	14.1
147.08040	3.4
147.11673	19.8
149.09592	6.2
149.13217	7.3
151.11176	2.2
153.12677	1.1
155.08574	2.5
157.10097	13.2
159.08098	1.2
159.11665	10.4
161.09647	1.0
161.13242	6.3
163.11218	3.4
163.14789	1.5
164.07109	0.8
165.12692	4.2
167.08578	1.0
169.10162	2.9
171.11653	4.3
173.09744	1.1
173.13258	7.2
175.11180	13.0
175.14853	3.3
177.12743	1.1
177.46222	0.8
181.10118	1.9
183.11691	2.1
185.13280	2.3
187.14836	3.2
189.11203	2.7
189.12773	1.0
189.16356	1.5
193.12218	46.5
194.12570	0.9
195.11739	1.8
197.13268	2.2
199.14882	1.7
201.16389	1.6
209.13240	0.8
211.13254	48.3
227.12691	4.4
243.21094	2.8
247.16789	0.9
261.22055	9.9
267.15857	6.9
269.17661	1.1
273.22372	0.8
275.20117	1.3
275.28204	0.7
277.21756	1.2
285.16870	1.8
285.21982	1.7
293.98972	0.9
299.23660	1.3
301.25146	6.2
303.23325	1.0
317.24750	2.2
335.25781	4.6
359.25595	1.4
386.54398	0.9
417.31424	1.6
435.32498	5.2
453.33569	5.3
471.35141	4.4
509.36008	1.6
527.37231	22.5
528.37531	1.6
533.73102	1.0
545.38367	100.0
546.38721	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	546.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01870	1.0
61.02904	1.4
62.94930	0.7
66.47047	0.7
69.03417	10.7
70.35333	0.9
70.59959	1.3
71.04966	3.2
73.02899	2.3
81.03413	10.1
84.51374	0.8
85.02893	65.1
87.04443	1.2
97.02879	17.6
99.04443	34.1
103.03927	85.5
109.02875	11.5
115.03822	0.9
118.88816	0.9
127.03899	100.0
137.80519	0.7
145.04941	58.9
163.05995	60.8
187.06004	4.1
190.21089	0.7
205.07072	3.9
253.07010	0.9
271.08112	8.5
289.09134	10.1
307.10181	20.2
318.96924	0.8
349.14944	7.4
546.28168	8.4
555.12073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01859	8.1
55.05500	10.0
57.03414	4.2
57.07059	4.1
59.06237	1.2
60.61784	1.2
61.02915	3.3
67.05499	13.4
68.99781	1.8
69.03418	26.1
69.07060	9.1
69.49895	1.1
70.30530	1.3
71.04987	4.6
72.22279	1.3
73.02898	5.6
74.06094	1.3
77.52508	1.1
79.05473	9.1
81.02958	1.8
81.03407	24.4
81.07048	27.8
83.04942	2.2
83.08604	6.8
84.28806	1.2
85.02891	67.4
85.06538	5.4
86.09708	1.7
87.00819	23.0
87.04414	1.2
91.03909	1.3
91.05466	7.4
93.07030	15.6
95.04932	2.6
95.08591	27.5
97.02878	25.9
97.10151	4.9
98.03191	1.8
99.04443	12.2
99.08082	3.4
103.05415	1.6
105.01855	26.9
105.07012	18.4
107.04935	2.6
107.08576	21.4
109.02864	25.0
109.06464	2.2
109.10140	17.1
111.04392	1.3
111.08084	2.7
115.03856	1.4
117.01823	3.3
117.07020	2.1
119.08568	21.2
121.10114	20.1
123.11705	16.6
125.09624	7.0
127.03896	47.2
129.01797	2.6
129.06931	1.4
131.08562	3.9
133.10098	16.6
135.11673	19.4
137.13242	7.5
137.96861	1.5
139.11127	1.5
143.08600	1.9
145.04945	24.0
145.10104	6.5
147.02895	1.9
147.11668	13.9
149.13237	16.3
157.10129	3.4
159.02869	15.0
159.11639	3.9
161.13228	14.4
163.14825	8.6
173.13272	1.9
175.14799	14.9
177.03960	1.9
182.65038	1.2
183.11658	1.2
184.07361	2.2
187.14760	4.0
189.04018	1.6
189.16364	19.4
191.17989	1.3
199.14807	2.4
201.16328	3.2
203.17921	8.0
205.19469	3.0
211.13162	2.3
213.03938	2.8
226.98489	1.3
231.04938	14.0
243.21062	6.3
245.22620	100.0
246.22978	2.2
247.24142	1.4
249.06001	2.8
257.22629	1.6
261.22028	3.0
263.23642	29.1
285.16891	1.8
287.05423	7.0
287.23621	1.6
288.05725	11.1
301.16507	2.0
335.23737	2.2
353.24738	5.2
457.25751	3.0
467.00745	1.3
475.26859	6.3
493.27945	3.9
504.07419	1.5
511.28741	2.3
546.24591	5.5
546.32343	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01865	28.1
55.05502	4.5
57.03434	1.6
67.05486	11.0
68.05010	7.0
69.03426	2.0
69.07065	11.2
69.10828	1.5
70.02946	5.0
70.06590	10.7
70.68658	2.7
71.04982	20.4
79.05476	11.7
80.05039	2.0
81.07034	12.1
83.08605	2.0
91.05451	9.1
93.07035	8.5
94.06575	3.0
95.04966	4.0
95.08598	5.8
96.04510	2.0
96.08112	5.1
97.06510	18.1
98.06021	2.0
98.09686	13.5
105.07021	6.6
106.06499	7.3
107.04939	1.4
107.08568	5.4
108.08102	7.6
108.08764	1.5
109.06492	4.2
109.10152	3.5
117.07025	1.6
119.08574	5.3
120.08087	3.5
121.10098	2.9
122.06012	24.9
124.07573	39.1
126.05510	1.8
131.08549	2.7
133.10088	3.3
134.06023	1.8
135.11748	1.9
136.07553	83.4
137.07892	1.8
137.09633	2.2
140.07034	19.8
145.10179	2.7
147.11696	1.8
148.07564	3.5
148.11177	2.3
149.09659	1.4
151.11145	1.7
151.99339	1.4
152.07014	2.1
153.07857	2.7
156.78632	1.4
176.14326	9.1
181.55815	1.6
194.15379	4.6
204.13820	22.3
213.54898	1.4
218.84811	1.4
222.14854	100.0
223.15240	2.5
240.15886	3.0
364.35587	1.6
372.31677	1.6
460.33383	1.5
528.33112	72.2
529.33221	3.0
546.38275	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	546.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05507	9.0
57.02966	2.0
57.03429	4.5
61.02910	7.2
67.05496	49.1
69.03421	2.0
69.07063	13.2
70.03908	6.6
71.04977	3.0
73.18486	2.1
77.49205	2.0
79.05477	28.7
81.06561	2.6
81.07050	53.8
83.08597	6.0
85.02892	5.8
85.06534	2.8
86.09682	4.2
91.03912	2.3
91.05475	17.4
93.07027	35.9
95.04976	3.6
95.08595	51.7
97.02866	5.9
97.06455	3.2
98.23459	4.4
99.08136	2.1
99.42873	2.3
105.07011	15.3
107.08601	24.2
109.10143	28.8
111.08105	3.2
117.06953	4.8
119.08562	9.6
121.10112	22.6
123.11700	17.9
125.00014	3.3
125.09627	2.6
131.08508	11.5
133.10115	11.4
135.11658	24.4
137.09605	2.3
137.13266	6.2
145.10107	12.1
147.11681	11.2
149.13249	20.6
151.11157	3.2
151.14763	4.0
159.11687	14.5
161.13225	9.5
163.14841	14.6
166.08035	2.1
173.13235	15.4
175.14752	3.2
177.16339	6.9
184.07303	11.7
187.14836	8.6
203.14717	2.1
223.94287	2.1
233.22606	2.9
234.44055	2.2
243.21069	31.0
261.22107	100.0
279.23154	5.1
335.25726	29.8
353.26779	28.5
422.41080	2.2
546.37439	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	546.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01857	9.5
55.05503	11.6
57.03433	6.4
60.08153	9.7
61.02912	9.4
67.05499	47.9
69.07060	19.4
71.04990	4.8
71.07375	6.0
79.05492	41.2
79.23454	3.4
81.07050	60.1
83.08612	7.2
85.02898	10.3
85.06538	3.5
86.09681	32.7
91.04021	5.0
91.05470	25.8
93.07027	32.6
95.04959	9.5
95.08591	42.9
97.02873	3.7
97.06534	10.7
97.10166	6.6
104.10725	67.9
105.06991	22.7
107.08584	30.3
108.08972	4.6
109.10148	34.9
117.07011	11.1
119.08562	17.7
121.10104	24.1
122.05960	8.5
123.11697	17.3
124.07596	10.1
124.99999	15.5
125.09656	5.8
131.08566	12.8
133.10072	20.8
135.08031	6.8
135.11705	21.9
136.07562	20.2
137.13258	3.8
137.65822	3.3
140.07033	8.3
145.10118	16.1
147.11601	4.7
149.09651	4.6
149.13260	16.2
159.11678	13.2
161.13310	10.2
163.14862	9.8
173.13248	12.6
177.16342	8.0
184.07317	61.5
187.14835	8.3
201.16246	3.7
204.13786	7.2
205.16006	3.8
215.45209	3.8
222.14912	30.1
233.22705	7.4
243.20961	30.8
244.44362	4.3
252.36603	3.6
261.22101	100.0
335.25848	16.0
353.26913	25.1
528.32996	26.7
546.34894	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	548.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
54.11560	1.8
57.03431	2.5
58.06584	2.5
61.02918	2.5
69.03407	6.9
70.06611	2.0
72.04500	6.4
81.03373	3.2
81.07043	3.5
85.02890	22.6
97.02858	6.1
109.02917	2.0
127.03896	3.3
145.04906	3.5
195.07996	2.5
205.06380	3.4
206.07211	3.8
207.08014	4.7
219.07967	2.3
221.09482	2.5
223.07504	4.5
225.09149	2.5
234.06723	6.9
235.07484	15.6
235.09872	10.0
236.08177	3.9
237.08928	4.2
238.09883	2.7
239.10709	3.5
248.08524	2.4
249.09114	8.7
250.10007	10.8
251.06985	10.8
251.10463	2.2
252.07809	3.2
254.09351	2.5
255.10077	2.8
262.06287	2.8
263.06955	13.0
263.09375	4.5
264.07733	2.6
265.08456	3.3
265.10989	2.8
266.09384	14.7
266.11755	4.3
267.10199	7.0
269.11765	3.4
277.08539	25.2
278.09326	23.9
279.06369	5.7
279.09723	6.6
281.11682	9.8
293.08017	5.5
294.08167	10.5
294.11633	16.8
295.09586	17.2
297.11136	3.0
309.11047	97.1
309.13699	57.9
310.11765	38.6
311.09167	6.1
326.11377	6.5
340.15381	100.0
341.13715	59.6
342.14001	2.9
354.13303	7.4
368.14871	27.6
386.15936	10.9
548.31854	17.3
549.25354	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	548.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	18.5
58.06586	2.3
59.04986	4.4
61.02906	5.6
63.10296	1.5
69.03417	65.1
69.50113	2.9
69.50517	6.2
70.40047	1.4
71.04970	2.1
73.02904	4.3
75.04465	2.2
77.22955	2.3
81.03399	5.7
85.02889	100.0
86.03221	1.8
86.09694	1.9
87.04449	48.5
91.03913	2.7
91.05441	2.3
97.02882	70.5
98.23379	3.3
99.04436	6.4
103.03928	4.0
107.04934	7.2
109.02864	6.5
109.58791	1.7
111.94936	1.7
115.03912	88.8
127.03876	20.2
129.05499	1.6
133.04944	98.2
145.02960	1.9
145.04938	40.3
147.04343	3.8
150.07567	1.9
161.05954	1.9
163.05991	19.8
164.07121	2.1
169.04944	3.0
177.05362	3.1
178.08546	2.5
180.06523	2.2
197.18384	1.6
229.06902	1.5
236.09102	2.5
237.13243	4.3
238.66321	1.8
241.06892	3.3
255.10056	1.9
259.08151	9.1
277.09167	2.9
286.14063	3.2
295.10242	10.0
325.11215	5.6
401.11642	1.9
520.05310	1.8
548.14917	2.1
548.29358	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	548.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22562	3.0
55.05500	9.6
57.03425	10.7
58.36697	3.2
59.05001	6.3
67.05489	9.4
69.03423	35.7
69.07050	6.5
70.51570	5.1
71.04969	22.3
79.05482	7.6
81.03404	7.5
81.07041	54.7
83.04972	7.2
83.08631	3.9
85.02881	26.1
85.06506	4.3
87.04465	25.1
88.34614	3.1
91.05472	20.3
93.07037	25.0
95.04980	5.8
95.08586	19.7
97.02878	34.5
97.06509	8.1
97.10151	11.1
99.04412	3.8
105.07014	63.8
107.08591	32.7
109.10127	8.5
115.03912	34.7
117.06971	6.6
119.08565	27.0
121.10112	16.4
123.11700	6.5
125.09612	71.9
127.03863	5.3
127.11185	4.6
129.06944	3.8
131.08601	7.9
133.04959	37.4
133.10121	84.6
135.11644	4.0
136.90041	3.4
137.09656	3.7
139.11194	5.2
143.10654	100.0
145.04982	3.8
145.10149	15.5
147.11659	42.9
149.13232	10.8
157.10146	6.6
159.11708	19.1
161.13264	12.5
167.10674	4.6
171.11748	4.3
183.14697	3.8
184.07318	7.2
201.16380	22.0
203.17827	6.6
205.10104	6.0
219.17433	60.5
241.07184	5.6
274.72937	3.3
287.14703	4.5
548.31793	9.8
564.86621	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	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.8
55.05500	22.2
57.03424	18.4
58.06570	5.1
58.86189	4.9
67.05488	58.2
69.07057	19.1
70.46101	4.7
71.04972	7.0
79.05478	67.6
81.03400	9.3
81.07043	68.4
81.51643	4.8
83.08612	12.3
85.02904	7.2
85.06551	4.9
91.05476	57.7
93.07021	68.5
95.04972	18.6
95.08590	53.9
97.02895	7.7
99.08053	7.1
105.07019	39.4
105.62514	4.5
107.04970	5.7
107.08572	49.8
109.06525	5.8
109.10149	22.4
111.08083	7.6
117.06998	17.0
119.08549	42.4
121.10110	32.8
125.09627	7.4
129.06964	8.2
131.08542	23.3
133.10086	26.0
135.11650	28.9
145.10115	23.8
147.11681	33.1
149.13239	15.5
151.19518	4.7
157.10106	12.9
159.11674	21.3
161.13220	14.0
171.11665	7.1
173.13251	8.4
175.14731	7.0
175.40858	4.8
177.12630	5.0
185.13216	9.2
187.14824	14.8
191.10776	5.1
201.16302	8.6
205.15802	5.7
241.19493	15.3
259.20541	47.3
269.17322	6.0
269.72836	4.8
277.21631	37.7
292.04919	4.8
333.24319	11.0
350.32004	4.5
351.25241	100.0
378.54514	5.5
395.31323	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	549.1233
Annotation	Quercetin 3-(3'',6''-diacetylgalactoside)
Peak:m/z	Relative Intensity
50.73356	0.5
52.69355	0.4
53.03701	1.0
53.03941	16.3
55.01867	0.9
57.03428	0.8
61.02902	1.7
65.03928	0.7
67.01844	2.1
67.90718	0.5
68.99767	1.0
69.03416	9.8
69.07057	0.5
69.16471	3.2
69.81654	0.5
71.04984	2.7
79.89073	0.5
81.03405	20.1
85.02896	4.8
95.08620	0.4
97.02879	16.8
99.04443	9.6
100.11261	0.8
102.93753	0.5
105.07019	0.6
109.02863	40.5
111.00797	1.3
115.03924	0.6
121.02872	1.2
127.03899	45.1
128.04205	1.3
128.75114	0.6
137.02332	3.0
137.05974	0.7
139.03920	0.5
145.04930	2.2
145.10124	0.6
153.01831	3.7
163.03845	0.7
165.01825	2.5
169.04887	3.3
183.02925	0.7
187.04192	1.1
187.05981	15.2
201.05470	2.0
229.04918	4.2
229.07094	4.5
234.08981	0.5
247.08160	0.8
255.06496	1.1
257.04504	1.9
266.08975	0.7
274.04599	0.6
278.08682	1.1
285.03870	1.7
287.05554	0.5
292.10846	0.8
293.10791	1.1
294.08301	1.0
303.04938	100.0
304.05234	3.2
309.10608	0.9
323.12747	2.7
324.13101	3.8
352.04120	0.8
369.15103	0.7
411.07040	0.5
508.87192	0.6
509.06409	0.6
548.34125	2.7
549.24866	2.0
549.32916	1.0
564.94501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01863	1.2
57.03438	1.7
61.02916	1.5
69.03411	7.5
69.86536	3.3
71.04985	3.2
73.02897	1.4
81.03406	25.7
81.57170	0.9
85.02889	30.6
91.05469	1.4
95.04958	1.1
97.02870	13.7
98.23357	1.5
99.04440	12.1
103.03927	21.2
109.02860	35.9
127.03893	100.0
137.02280	1.1
137.05983	1.5
145.04930	9.7
152.13840	1.1
153.01740	1.2
163.04030	1.0
169.04936	16.8
177.05479	1.3
187.05986	14.0
220.05611	0.9
229.04970	2.1
229.07043	19.7
247.08110	14.8
270.33441	1.0
303.04907	28.8
304.05518	1.6
332.46051	1.0
474.60516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	2.3
58.40966	1.4
67.05488	2.3
69.03416	26.1
69.07085	1.9
70.56322	2.0
71.04978	4.6
79.05494	2.7
79.55125	1.5
81.03403	25.4
81.07050	4.6
83.01329	2.5
85.02895	28.5
91.05477	4.2
91.06002	1.6
93.07050	4.6
95.04947	3.9
95.08606	3.9
97.02881	33.0
97.03481	2.2
99.04445	12.1
105.03371	14.8
105.07048	4.5
109.02863	69.8
109.10175	1.7
119.08575	3.4
121.10102	1.6
127.03897	45.9
131.08543	2.6
137.02299	2.7
137.05988	4.7
139.03920	6.1
143.08562	1.9
145.04935	8.9
145.10081	1.6
153.01782	2.5
155.08536	1.8
157.10156	2.6
165.07054	2.1
166.05005	4.9
169.04961	6.5
173.13255	2.1
179.08588	4.3
187.05983	23.3
187.07536	1.9
191.08525	2.5
191.14394	1.8
193.10001	2.2
194.10985	2.0
207.08009	3.2
207.11629	2.4
209.13264	3.1
217.06317	1.8
229.04980	1.8
229.07091	4.0
235.07484	10.9
245.05927	3.5
247.08096	1.7
250.08577	2.3
253.08501	1.9
260.07147	2.3
263.06998	20.9
277.05063	1.7
278.08084	13.2
280.16928	1.8
281.08005	2.0
282.07867	2.5
287.05426	4.7
288.06470	2.9
291.06430	12.0
296.09177	1.9
303.04932	43.3
306.07544	29.2
307.08386	4.9
308.09128	3.1
309.07495	20.7
310.07169	8.5
324.08606	19.9
334.07062	12.3
352.08109	100.0
353.08646	3.6
361.16870	1.7
428.20660	2.2
517.12195	3.3
548.31812	1.9
549.14661	15.3
549.21814	1.9
550.24261	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86852	0.2
63.98637	0.2
64.64871	0.2
65.03929	0.7
67.86001	0.2
69.03423	0.6
81.03402	0.5
83.22834	0.2
85.02885	0.7
91.05465	5.7
97.02885	0.3
105.06981	0.2
108.20718	0.2
108.72569	0.2
116.25311	0.2
117.32735	0.2
119.04925	17.0
120.05266	0.3
122.28228	0.2
127.03835	0.3
129.33649	0.2
147.04385	100.0
148.04723	1.6
165.05446	1.2
209.08073	3.8
242.16649	0.2
256.07413	0.2
291.08554	0.7
309.09656	3.8
320.47607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
52.51883	0.3
53.03927	1.2
55.01870	0.3
67.05492	0.5
68.05040	0.4
69.03423	0.3
69.07072	0.3
70.06580	0.6
72.04506	1.2
77.03915	1.6
77.34039	0.3
79.05485	1.2
79.67616	0.3
80.05006	0.7
81.03406	0.5
81.07029	0.8
91.05463	2.4
93.07049	1.3
94.06533	0.7
95.04337	0.5
95.04955	7.4
95.08585	0.5
95.61572	0.2
97.02860	0.4
105.03381	31.8
105.04406	2.1
105.07010	3.5
106.03722	0.4
107.08582	0.4
108.08083	0.3
109.02882	0.5
115.05463	0.7
117.07031	1.1
118.06528	0.7
119.08563	1.2
120.08088	0.5
121.06516	0.4
128.06212	0.6
129.06987	1.4
130.06511	0.9
131.07298	0.7
131.08559	1.8
132.08061	1.2
134.09645	0.6
141.07007	0.9
142.07739	0.6
143.07472	0.5
143.08553	2.7
144.08104	2.6
144.09180	0.4
145.06508	0.8
145.08954	0.5
145.10074	0.7
146.09630	1.9
147.08052	1.3
148.07619	0.3
149.26408	0.3
153.07036	0.6
155.08565	2.5
157.10104	1.2
158.09637	0.7
162.08995	0.4
165.06985	1.4
166.07663	0.7
167.08554	2.3
168.08043	0.4
169.10115	1.2
170.09702	0.5
171.08055	0.5
174.09172	0.9
178.07762	1.4
179.08519	2.8
180.09332	1.2
181.10089	2.2
182.09711	0.6
183.11682	0.5
184.11229	0.9
186.09180	0.3
188.10625	0.3
191.08611	0.7
192.09296	3.1
193.10091	4.4
194.09399	0.5
194.11003	1.8
195.11661	1.2
196.11234	0.4
197.13335	0.4
203.08589	0.9
204.09323	1.0
205.10121	1.0
206.10918	1.0
207.11674	3.9
209.13228	4.1
210.51845	0.3
212.10722	0.4
215.08546	1.2
217.10181	0.6
218.11002	0.7
219.11673	3.2
221.09669	0.5
221.13240	0.8
222.12755	0.4
223.14915	0.4
229.10091	0.4
230.10941	1.4
233.09355	0.4
233.13261	1.2
234.12735	0.4
235.14795	1.4
237.12671	1.0
238.12408	0.6
245.13261	1.8
246.12810	0.7
247.11230	0.5
247.13524	0.5
252.17522	0.7
253.15866	0.5
260.14200	0.4
262.15900	3.2
263.14243	0.5
265.12436	0.4
272.14313	0.4
280.16943	5.0
290.15286	1.4
304.05252	0.4
308.16373	3.8
319.32883	0.4
326.17432	2.4
340.18958	0.4
350.17450	0.7
353.19501	0.8
368.18448	2.4
386.19659	0.5
428.20630	4.7
437.47247	0.3
490.22360	1.2
550.24274	100.0
551.24695	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	550.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01875	0.3
56.05032	1.7
57.03437	0.3
57.07070	2.4
58.06594	7.8
66.38654	0.3
67.05495	0.7
68.05023	1.3
68.42550	0.3
69.03421	1.1
69.07058	0.4
72.08154	0.9
73.02923	0.4
79.05482	1.0
80.05016	0.4
81.03410	1.1
81.07038	0.5
82.03758	0.3
82.06547	0.4
84.08128	1.9
85.02894	1.5
91.05458	2.0
93.07028	0.8
95.04967	0.6
95.08582	0.5
96.08131	2.2
97.02890	1.4
97.06564	0.2
98.09697	0.3
102.09234	0.4
105.03405	0.3
105.07020	1.0
107.04935	3.3
107.08566	0.3
108.08101	1.9
109.02863	2.0
109.10167	0.3
110.03205	0.6
110.06019	0.7
110.09673	0.9
111.04457	0.5
115.03903	0.3
115.05456	0.6
117.06976	1.4
119.04974	0.9
119.08549	0.4
121.06508	0.8
122.09605	0.3
123.04440	0.7
124.03909	0.3
126.05532	0.5
127.03909	1.1
128.06227	0.4
128.07066	0.3
129.06982	2.2
131.08559	1.2
133.10100	0.7
134.09589	0.5
136.07573	0.5
137.02339	0.4
137.05952	0.6
138.09183	0.3
140.07069	0.8
141.06970	0.8
142.07765	0.4
143.08580	1.2
145.02985	0.3
145.04996	0.3
145.06389	0.4
145.10138	0.5
146.09578	0.5
147.08020	0.5
152.07072	1.1
153.06953	0.5
154.08620	7.1
155.08542	2.1
156.09346	0.4
157.06503	0.6
157.10141	1.1
159.10408	0.5
160.11246	0.3
165.06956	0.7
166.07730	0.4
167.07166	0.3
167.08557	1.1
169.06415	0.4
169.10208	0.3
171.08084	0.4
172.11206	1.1
173.12019	0.3
174.12813	0.5
179.08598	0.5
181.10136	1.2
184.11177	0.4
185.09596	0.6
186.12805	0.6
187.06038	0.6
187.07567	0.4
188.14331	0.3
191.08528	0.8
193.10123	1.0
195.07979	0.4
195.11717	0.4
197.09578	0.4
198.12833	0.3
200.14401	1.0
203.08612	0.7
204.09372	0.4
205.10107	0.5
207.08020	0.5
207.11639	0.8
209.09665	0.8
210.12801	0.2
217.10057	0.4
219.11685	0.4
221.09717	0.5
221.13260	0.8
223.11305	0.4
223.14772	0.5
230.05275	0.4
231.11708	0.7
233.13266	1.3
234.12863	0.3
237.09041	0.4
247.11147	0.4
249.12727	1.1
251.14287	0.9
265.12167	0.3
267.13901	0.5
281.11691	0.4
292.17053	1.0
294.18634	1.3
294.41061	0.3
303.04968	3.9
304.05292	5.8
310.18024	0.4
311.12888	0.3
320.16589	0.3
321.23553	0.3
338.17633	1.5
342.16376	0.5
352.18985	1.5
354.20648	1.0
370.15872	0.6
372.18115	0.5
380.18610	0.6
386.23300	0.5
398.19534	5.7
402.19690	0.3
412.21173	1.0
430.22165	19.4
431.22485	0.6
448.23224	10.4
448.29498	0.5
471.32474	0.3
532.29022	7.7
550.30017	100.0
551.30444	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	550.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48975	0.6
57.47475	0.7
58.06569	2.0
60.04514	0.7
61.02886	0.7
68.05025	0.7
69.03416	2.6
70.06583	1.4
72.08154	0.9
73.06562	1.4
84.08124	0.9
85.02906	6.2
86.09712	0.9
87.04457	4.8
89.06023	100.0
96.08110	1.0
97.02892	2.4
99.04456	0.7
100.41917	0.6
107.07042	2.1
108.59866	0.6
119.04980	0.8
127.03904	2.0
131.07019	1.6
133.08592	60.0
135.08066	0.7
137.02325	1.6
137.05969	0.9
147.04398	4.5
166.04958	3.6
171.00948	0.6
175.09618	0.9
177.05547	0.9
177.11208	24.0
191.10617	0.9
206.04463	1.0
221.13808	4.8
239.14873	1.3
265.16565	1.0
283.17508	5.0
301.88922	0.6
302.06586	3.2
326.06653	1.1
327.20087	3.6
370.19962	0.8
371.22723	58.0
372.22668	1.7
499.92615	0.7
550.28888	4.0
551.20850	1.6
565.50586	0.7
569.39014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04913	0.2
55.01847	0.4
55.05502	0.3
56.05025	3.2
56.50179	0.2
57.07064	3.3
58.06295	0.4
58.06590	8.5
67.05496	0.8
67.20844	0.2
69.03432	0.2
71.04974	0.9
72.08141	2.6
74.06026	0.2
75.04463	0.3
79.05466	1.4
80.05014	0.4
81.03420	0.2
81.07057	0.4
82.06559	0.4
84.08131	1.0
85.02863	0.3
88.07642	0.3
91.05473	2.2
93.07042	1.0
94.06543	0.3
95.04945	0.8
95.08643	0.2
96.08139	0.6
98.09679	0.6
98.23463	0.4
102.09148	2.0
103.05483	0.3
105.03387	0.8
105.07011	1.8
107.04940	2.7
107.08561	0.3
108.08099	6.2
109.10166	0.2
110.09665	0.5
111.04441	0.8
114.09168	0.3
115.05444	0.7
117.06999	1.5
119.04939	0.9
119.08552	0.5
121.06490	0.8
121.08862	0.5
122.09650	3.0
123.04414	0.8
123.08039	0.4
124.11225	2.1
128.06166	1.1
128.10701	0.6
129.06976	2.5
131.08566	1.7
134.09682	0.3
135.08034	0.3
137.05960	0.8
140.10725	0.4
141.06989	1.5
142.07790	0.7
143.08572	1.5
145.06456	0.5
145.10120	0.7
147.08038	0.3
152.06212	0.3
152.10655	1.2
153.06982	0.7
154.07782	0.6
154.12234	5.0
155.08528	1.6
157.06517	0.3
157.10129	1.1
158.09602	0.4
159.07994	0.7
160.11185	0.4
161.09621	0.5
165.06982	1.2
166.07762	0.7
167.08504	2.1
168.09299	0.3
169.10112	1.2
171.08025	0.5
172.11229	0.7
173.09589	0.4
174.12773	0.6
175.11333	0.3
178.07782	0.7
178.12288	0.3
179.08527	1.4
180.09326	0.4
181.06422	0.4
181.10136	0.9
183.08083	0.5
183.11665	0.4
184.11200	0.5
185.09546	0.4
185.12131	0.2
186.12779	0.9
187.11282	0.2
187.13493	0.3
188.14265	0.3
190.07735	0.2
191.08562	0.8
192.09291	0.6
193.09998	1.1
195.08060	0.6
195.11705	0.8
196.67790	0.3
197.09727	0.4
198.12785	0.5
199.13521	0.4
200.14357	0.5
202.07837	0.3
203.08517	1.2
204.09198	0.3
205.10083	1.1
206.10889	0.4
207.11667	0.7
208.08856	0.4
209.09654	0.4
209.13223	0.3
211.11354	0.4
212.14334	0.7
215.08502	0.5
216.09276	0.5
217.10158	0.8
219.07974	0.3
219.11659	0.6
221.09608	0.6
221.13295	0.6
223.11250	0.5
228.09335	0.3
230.10880	0.3
231.11642	0.6
233.13237	0.6
235.11133	0.5
235.14687	0.3
237.12837	0.3
244.74762	0.3
245.13248	0.5
249.12807	0.8
251.14293	0.5
261.12762	0.5
263.14285	0.6
277.15607	0.3
278.15320	0.4
281.15277	0.5
288.17358	0.4
288.95303	0.2
292.16824	0.4
294.18695	0.3
306.18448	1.5
312.19620	0.7
338.17639	0.4
338.21265	1.3
363.65219	0.3
366.20563	2.7
370.19965	0.6
370.24045	0.4
372.21558	0.8
380.22095	0.5
398.23199	7.5
399.23938	0.4
412.25040	0.5
430.25839	16.1
431.26242	1.0
448.26917	6.6
500.30209	0.7
518.97437	0.2
532.32611	8.4
533.32935	0.6
550.33698	100.0
551.26105	0.3
551.34106	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03937	0.7
55.77174	0.3
57.03429	0.7
57.07064	0.6
61.02942	0.4
64.88335	0.3
67.05495	0.5
69.03425	1.1
69.75232	1.3
70.06574	0.7
77.03897	0.6
79.05476	0.8
81.03403	0.7
81.07040	0.5
85.02892	4.6
88.07612	0.9
91.05459	5.3
93.07037	8.8
95.04947	3.3
95.08609	0.5
97.02882	0.9
99.51328	0.3
102.09152	0.6
103.05457	6.1
105.04512	1.0
107.08590	0.8
109.02894	0.4
109.10146	0.4
121.06491	100.0
122.06856	1.4
125.70606	0.3
127.03938	0.7
133.10114	0.5
135.11717	0.4
145.04967	1.2
145.10066	0.4
170.19580	0.3
181.04155	0.4
212.23541	0.3
256.26328	5.3
259.16916	1.2
371.24872	0.4
400.99207	0.4
532.43561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07565	0.4
52.97641	0.4
55.01863	0.5
55.05497	0.8
57.06815	0.6
57.07072	9.2
58.06583	1.4
62.18619	0.4
67.05507	0.8
69.07053	0.9
69.23586	2.4
70.06583	12.3
71.08624	2.5
71.66397	0.4
72.08138	0.6
74.06078	0.7
79.05499	0.9
81.07043	1.2
83.08611	1.0
85.10169	0.8
87.04449	1.6
88.07621	14.7
91.05466	0.6
93.07034	0.7
95.08597	0.7
99.04411	2.3
100.07593	0.8
102.09169	12.9
105.07006	0.7
107.08562	0.9
119.08546	1.1
121.10085	0.7
125.84064	0.5
131.08537	0.5
133.10114	1.5
147.11667	0.9
159.11739	1.0
161.09596	3.8
163.11198	0.7
175.11183	0.6
188.08304	2.1
203.10641	4.4
203.14171	1.0
212.23761	0.6
217.15805	2.4
219.17419	5.7
247.13432	0.5
247.21313	0.5
254.24767	2.0
256.26324	100.0
257.26675	3.2
259.16907	15.9
259.19592	0.8
266.52698	0.4
274.27386	2.7
303.19431	3.2
328.28259	0.8
476.37466	2.6
532.05579	0.5
532.43555	20.8
533.43951	1.0
550.44604	11.0
551.44702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03956	0.3
55.01864	3.2
55.12450	0.3
55.95952	0.3
57.03413	0.3
58.06591	0.9
63.02373	0.3
65.03930	0.7
68.60339	0.2
69.03418	0.3
71.01344	0.5
73.06505	0.4
74.36929	0.3
77.03927	0.7
79.05482	7.8
81.03392	0.6
81.07038	1.0
83.04975	0.4
85.02898	0.7
85.06519	0.4
85.37503	0.3
89.03905	0.7
90.04678	0.7
91.05455	3.1
93.03423	0.3
93.07034	0.5
95.04958	2.2
95.08590	0.4
98.23454	1.0
103.05455	7.8
104.06259	0.6
105.07016	60.6
106.07346	0.9
107.04930	2.5
107.08496	0.3
108.02144	0.5
109.02861	1.0
109.10149	0.4
110.09703	0.3
111.04417	0.3
115.05435	11.8
117.06966	0.4
118.04147	5.4
118.27889	0.3
119.04917	0.8
119.08539	0.6
120.05699	0.3
120.08084	0.4
121.06480	1.2
121.10122	0.3
122.07236	0.4
122.80579	0.3
124.05246	0.4
127.03868	0.9
129.06964	0.5
131.04927	2.3
132.05681	0.8
133.06471	57.8
134.06841	1.0
135.04428	0.8
135.08037	0.7
135.11618	0.3
135.44720	0.3
137.05951	2.0
141.05460	0.7
143.04901	1.1
143.05994	6.0
147.04478	0.7
147.07994	0.3
149.05951	1.2
150.06741	2.3
151.03883	10.5
151.04955	0.6
151.07478	0.8
151.82965	0.3
153.05397	0.6
157.06546	0.4
161.05952	100.0
162.06314	2.3
163.03827	0.5
163.07561	1.5
165.05452	0.4
165.09106	2.4
167.07008	2.6
173.05946	0.3
175.07532	0.4
177.05421	1.0
178.06227	1.1
179.07019	0.8
181.52692	0.3
187.07539	1.4
193.08575	88.7
194.08994	2.0
195.06480	0.8
195.10109	1.1
195.11754	0.3
196.07172	0.4
211.09660	1.7
213.11258	0.4
311.12534	0.6
337.12802	0.5
339.12177	1.1
343.11450	0.3
346.85260	0.3
371.14819	0.4
399.19836	0.4
431.22281	0.6
446.35464	0.4
501.41553	0.3
532.29346	0.4
550.29913	1.4
551.30017	3.7
552.31915	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	551.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91469	0.7
53.03931	1.1
53.24807	0.8
54.84208	0.8
55.01850	1.0
55.05494	2.7
56.05008	2.0
57.03427	9.4
57.07054	1.2
58.06596	3.8
59.04977	0.7
61.02911	2.2
67.05495	1.3
69.03419	2.1
71.01336	0.8
71.04985	67.4
72.05315	0.8
73.02904	2.2
75.04467	4.3
79.05508	1.5
81.03411	2.4
81.07050	1.5
82.06576	0.9
83.04973	10.5
84.04494	1.2
85.02895	100.0
87.04456	2.1
91.05471	1.5
93.07048	1.4
95.04962	1.5
95.08608	1.2
97.02867	4.0
97.06504	0.8
99.04437	1.8
101.05966	0.9
102.05546	1.3
103.03944	0.7
105.03358	1.1
105.07029	1.1
107.04974	0.9
107.08608	1.2
108.08091	2.1
109.02877	1.2
109.10137	0.8
110.06007	0.8
111.04425	5.4
116.43687	0.7
119.08590	1.2
121.06526	1.2
122.09647	0.7
127.03913	5.2
129.05467	36.3
129.06981	1.6
131.08531	1.0
141.06995	1.2
145.04936	6.2
145.10185	0.8
146.08089	1.0
147.06503	19.6
154.12276	1.1
154.44858	0.8
155.08510	0.8
163.06018	1.4
164.09224	6.2
171.08072	1.4
174.96655	0.7
181.06482	1.4
185.09512	0.8
196.36899	0.7
199.07588	2.1
205.83876	0.7
224.58247	0.7
226.08600	1.2
250.08690	2.8
255.08861	1.0
354.13458	0.9
372.14484	3.9
386.14047	1.3
398.23471	2.2
399.23724	1.2
430.26031	3.8
431.26242	4.1
448.27274	1.9
449.27478	1.6
451.23212	1.8
532.33044	2.4
533.33490	2.9
550.33820	19.7
550.42047	1.3
551.28162	2.5
551.34473	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	551.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01871	1.2
55.05508	3.4
57.03422	1.8
57.07061	2.4
60.08154	2.4
60.18984	0.9
67.05499	13.5
69.03426	5.9
69.07058	2.4
71.04990	1.1
71.43325	1.0
73.02924	1.5
74.94164	0.8
79.05498	3.9
81.03410	5.8
81.07047	12.6
81.07487	1.1
83.08613	2.3
83.36185	0.9
85.02899	9.3
85.06535	44.9
86.09686	5.7
87.00834	4.1
90.78036	0.9
91.05456	8.1
93.07039	8.7
95.08593	23.9
97.02870	5.1
97.06513	1.0
99.04463	2.1
99.08086	8.8
104.10732	5.6
105.01860	3.7
105.03342	1.5
105.07016	26.8
107.08585	6.9
107.65855	0.9
109.02888	3.9
109.06522	1.3
109.10139	4.9
111.11694	1.5
113.09650	2.3
115.05431	1.4
117.07024	7.1
119.08556	8.9
121.06509	1.1
121.10133	7.4
123.11665	1.7
124.99999	3.9
125.09641	1.0
127.03905	8.2
128.06195	1.3
129.07005	4.4
130.07773	1.6
131.08551	34.7
133.10083	6.0
135.11682	4.2
137.09329	0.8
141.06979	2.8
142.07779	2.4
143.08557	10.5
145.04971	2.7
145.10101	65.3
146.10489	1.0
147.11653	5.5
148.22455	0.9
149.13237	3.1
154.31844	0.9
155.08521	9.7
157.10104	14.7
159.02863	2.3
159.11656	9.8
161.13203	7.0
163.11130	1.3
163.14806	2.0
169.10089	4.3
171.11696	7.7
173.13240	58.5
174.13583	1.0
175.14780	4.1
183.11684	5.0
184.07332	12.5
185.07660	1.9
185.13220	7.9
187.14781	5.4
197.13208	5.2
199.14828	5.9
201.16348	11.6
211.14801	5.6
213.16098	0.9
214.04849	1.0
215.17931	1.1
225.16386	3.0
227.17975	7.5
229.19531	5.6
231.05029	2.5
239.17896	6.4
241.19446	1.8
243.04808	1.3
257.19031	3.3
257.22635	17.4
267.21027	24.9
278.03955	0.9
285.22089	100.0
286.22501	2.8
287.23926	1.1
288.05002	6.5
289.05334	10.1
302.06506	2.1
303.06787	4.3
303.23065	1.5
344.16391	1.0
394.26962	0.8
551.28070	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	552.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.9
53.03943	3.7
55.01854	1.4
56.05027	5.2
58.06592	22.5
64.92665	0.8
65.63168	0.6
67.05486	1.8
69.03428	1.5
69.07052	0.8
77.03903	2.3
78.10912	0.7
79.05482	2.1
81.03396	1.9
81.07044	3.0
82.06550	0.9
85.02890	10.8
85.06549	0.7
87.04447	1.2
91.05463	2.4
93.07040	1.7
93.32207	0.7
95.04958	17.7
95.08593	2.0
97.02879	1.0
97.06550	0.7
98.23505	1.4
105.03380	100.0
105.04407	7.4
105.07042	1.4
106.03728	1.6
107.08572	1.1
109.02872	1.0
109.06522	1.2
109.10136	1.0
113.06010	0.8
115.05443	0.7
117.07010	0.7
117.80564	0.8
119.08566	0.7
121.06529	1.2
121.10126	1.0
125.05964	0.9
127.03950	1.1
129.06981	1.2
132.07997	0.9
141.06944	1.2
144.08131	1.0
147.04346	1.1
151.11206	0.8
153.07019	1.0
158.09633	0.9
165.07005	2.1
166.07701	1.0
167.08527	4.8
172.07440	0.9
177.06956	8.4
178.07738	3.5
179.08566	7.8
180.10278	0.8
186.09102	1.0
189.06929	1.1
191.08488	7.3
192.09212	1.4
193.06424	1.1
193.10078	1.8
194.09579	1.2
195.08020	14.6
195.09872	1.1
196.08362	0.8
196.11255	0.8
200.10683	1.5
202.07800	3.0
203.08548	3.6
205.06502	1.8
205.10254	1.1
206.07184	0.7
207.08047	6.6
219.08041	6.8
220.11078	0.9
221.09497	2.0
222.12628	0.8
223.07584	4.3
223.16797	1.3
226.12373	0.8
231.08023	1.0
231.10188	0.9
233.09651	1.9
234.12877	1.1
235.07480	10.4
235.11133	1.1
236.10664	1.3
237.09099	0.9
241.18053	0.8
245.09724	0.9
246.11305	2.3
247.07481	2.0
248.10683	1.8
249.09146	2.2
250.12231	1.6
251.10730	1.7
259.07553	0.9
262.12207	2.2
263.10742	1.8
264.13864	1.6
277.08447	1.6
278.12216	0.8
278.15439	1.7
279.09976	1.9
288.13678	0.9
292.13416	1.7
306.15005	1.2
309.11230	0.9
338.17487	1.2
366.16946	3.3
380.18311	1.4
398.19678	4.9
401.13712	1.7
431.14798	3.4
450.28204	1.4
460.21152	0.9
488.20712	2.5
520.23267	42.6
521.23553	2.3
552.27118	5.7
552.31714	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	552.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
55.05503	6.8
55.16216	0.8
55.49497	0.8
56.05023	2.3
57.03431	6.7
58.06593	9.5
58.72258	0.8
61.02922	5.5
67.05499	6.1
69.03416	11.2
69.07078	1.8
70.06580	1.0
70.49791	1.7
71.01338	1.2
71.04984	4.3
72.08161	1.6
73.02911	26.5
79.05486	2.2
81.03403	2.7
81.07059	3.4
82.06562	0.8
83.04977	12.8
83.08624	1.5
84.08124	1.3
85.02900	23.8
86.09715	1.0
87.04460	1.3
89.36098	0.8
91.05480	5.2
93.07034	3.5
95.04961	2.9
95.08612	1.0
96.04468	0.9
96.08114	1.8
97.02882	18.5
97.06541	1.2
99.04451	2.5
103.04043	0.8
105.07018	2.7
107.04928	4.1
107.08577	2.5
108.08112	4.5
109.02878	3.4
109.06506	2.6
109.10149	8.8
111.08065	3.5
113.05996	1.1
115.03922	9.8
117.07037	1.9
119.08547	4.2
121.06505	1.4
121.10147	1.4
122.09622	1.8
123.08059	1.7
124.11214	0.9
125.05946	1.3
127.03886	7.5
128.06273	1.3
129.07010	2.5
131.08549	2.5
133.04953	8.4
133.10138	2.7
135.08029	1.2
135.11639	1.9
137.05986	1.2
137.09624	3.2
140.10727	2.9
141.06975	1.4
143.08568	1.6
145.04958	9.8
145.10095	2.1
147.08012	1.6
147.11745	1.3
149.09677	0.9
150.07607	1.6
154.04968	1.6
154.12260	1.5
155.08557	1.4
157.10176	1.8
161.09627	1.2
163.05994	6.7
163.11179	3.4
165.09105	1.4
167.08620	1.3
173.08139	2.5
175.14822	3.5
179.08568	1.2
181.10207	1.0
186.12724	1.0
187.11258	0.8
192.09520	0.8
195.08234	0.8
195.10126	1.2
195.11777	0.8
198.12868	1.0
205.10332	1.1
205.12282	3.6
207.54396	0.9
223.06052	1.6
223.13254	55.6
227.16425	0.9
241.07120	2.7
241.14478	0.9
249.12846	0.8
259.08173	3.7
277.09164	1.1
306.18668	1.2
354.20752	0.9
355.17752	1.3
366.20847	1.8
384.21652	2.3
398.23221	4.3
416.24249	18.7
434.25275	7.4
490.57828	0.9
534.30695	8.8
552.31647	100.0
553.32159	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	552.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98414	2.0
53.22957	2.0
55.05500	4.9
58.06584	5.5
61.26645	2.4
67.05491	3.3
69.07061	8.4
71.04985	12.2
71.07046	2.4
73.02898	2.8
79.05513	3.4
81.07053	5.3
81.17619	1.8
83.04980	10.0
83.08621	3.3
85.02893	27.7
91.05475	6.6
93.07037	4.9
95.04972	8.7
95.08604	6.7
97.02896	3.9
97.06536	3.9
105.06995	9.9
107.04969	2.7
107.08586	7.6
108.08084	2.9
109.06512	5.2
109.10162	11.3
111.04395	3.0
111.08072	3.3
114.83482	2.1
117.07011	2.9
119.08559	24.0
121.10151	7.4
123.08059	3.6
127.03902	2.3
129.05481	7.4
131.08603	2.3
133.10095	25.9
137.05989	2.0
137.09634	3.2
140.10648	2.4
143.08522	2.1
145.04955	2.5
146.88171	2.3
147.06532	4.7
147.11693	7.4
149.13257	3.0
151.11188	3.3
153.09120	3.1
167.14330	4.7
173.13274	6.6
175.14796	88.4
179.10670	2.1
191.14369	6.8
193.15881	13.0
209.15334	27.6
223.13257	3.0
227.16481	4.3
318.84628	1.9
345.18597	2.1
384.21597	6.6
416.24133	15.3
434.25439	7.5
453.24271	2.0
534.30341	9.3
552.31635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25423	1.5
55.05502	10.5
58.03441	1.5
58.06585	2.3
67.05499	3.0
69.03420	4.3
69.07054	11.7
69.51480	7.2
71.04991	12.5
77.26617	1.5
79.05487	4.4
81.03409	1.7
81.07042	9.0
83.08602	5.7
85.02898	11.8
91.05024	1.5
91.05482	14.7
93.07043	5.1
95.04957	1.8
95.08581	11.8
97.02878	2.7
98.22722	3.1
101.91487	1.4
104.06252	1.4
105.07024	27.5
107.08570	18.5
109.10165	1.7
110.83157	1.6
111.66027	1.4
117.07003	4.5
119.08567	100.0
121.10129	5.2
127.03874	2.9
129.05447	2.0
133.10101	27.9
135.11662	2.1
145.04959	4.7
145.10075	3.1
147.11644	3.3
160.12404	2.1
163.06108	1.9
175.14804	96.7
184.48512	1.5
215.09164	3.6
223.13292	2.3
233.10135	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	552.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01857	0.5
55.05489	1.2
56.04802	0.4
56.05029	4.2
57.03432	0.7
57.07059	0.8
58.06593	7.3
61.45425	0.4
67.05484	1.7
69.03420	1.7
69.07048	1.3
70.00166	0.4
70.06581	1.6
71.04980	1.4
72.08144	1.4
73.41428	0.4
79.05488	1.2
80.05023	0.7
81.03413	2.8
81.07047	2.5
84.08127	0.9
85.02889	4.7
87.00817	0.9
88.07581	0.4
91.05463	2.2
93.07037	0.9
94.33344	0.4
95.04947	0.7
95.08598	2.3
96.08109	0.6
97.02879	2.2
97.06510	1.0
98.09698	0.4
99.04445	1.6
103.03934	2.1
103.05455	0.5
105.03386	0.6
105.07024	0.7
107.04944	2.5
108.08096	5.1
109.02852	2.6
109.10112	0.9
110.09695	0.5
115.05451	0.5
117.06987	1.3
119.08545	0.7
121.06456	0.7
122.09643	1.3
123.04415	0.6
124.11182	0.6
127.03904	7.1
128.06215	0.8
129.06998	1.7
131.04930	0.7
131.08527	1.0
136.03946	1.8
137.02333	3.8
137.05965	0.6
140.10663	0.5
141.07033	0.8
142.07756	0.5
142.36877	0.4
143.08537	1.7
145.04927	1.6
145.10120	0.5
148.11218	0.6
152.10666	0.7
154.12250	1.9
155.08557	1.1
157.10153	0.5
163.05972	0.4
165.06979	0.7
167.08553	1.4
168.06522	2.3
168.17566	0.5
169.10118	0.9
171.08003	0.7
173.09604	0.5
177.05385	0.6
179.08559	0.7
181.10210	0.7
183.07996	0.5
186.12700	0.6
191.08539	0.6
193.10208	0.9
195.07864	0.5
197.09717	0.5
204.09343	0.7
205.10046	0.5
210.22150	5.8
213.04060	0.7
219.11635	1.0
223.16936	0.5
228.23210	4.1
231.11644	0.9
233.13167	0.5
246.24274	6.1
272.05634	0.9
288.25360	0.5
304.08066	1.4
322.17767	0.8
371.14569	0.4
382.20129	0.5
404.24667	0.5
409.10812	0.5
414.22754	1.9
428.24374	0.5
432.23770	1.8
446.25385	8.6
450.24701	0.5
460.27051	1.3
464.26657	2.3
492.29254	0.5
502.27466	0.7
516.29498	0.5
534.30554	12.1
535.30682	0.7
552.31622	100.0
553.32019	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	552.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01872	0.4
55.05508	0.2
56.05025	1.6
58.06593	7.4
59.04994	0.5
59.05283	0.2
61.02909	0.5
65.03920	0.2
67.05495	0.6
68.05023	0.3
69.03409	0.2
69.31940	1.0
70.06581	0.3
71.04996	1.4
72.08152	0.8
75.04469	1.9
77.03918	0.2
77.32948	0.2
79.05482	1.2
80.05004	0.3
81.03409	0.2
81.07059	0.5
82.06578	0.4
84.08141	0.9
85.02883	2.0
85.06530	0.2
87.04476	0.2
88.07611	1.1
91.05469	3.0
93.05767	0.2
93.07026	1.0
94.06575	0.6
95.04957	0.6
96.08110	1.4
97.06532	0.7
98.09698	0.4
101.06024	0.4
102.09159	1.0
103.03913	0.4
103.05457	0.3
105.03330	0.2
105.07021	1.9
107.04943	1.4
108.08109	2.5
109.06499	1.4
110.09654	0.4
112.07609	0.2
112.51524	0.2
113.40129	0.2
115.05438	1.0
117.06991	1.6
119.04961	0.7
119.08585	0.4
119.27592	0.2
120.08105	0.4
121.06497	1.4
121.08878	0.6
122.09647	2.5
123.04456	0.2
123.08065	0.6
124.07573	0.5
125.06016	0.5
128.06190	1.0
128.10712	0.5
129.06999	2.8
130.06538	0.2
131.08583	1.2
133.06508	0.4
134.09671	0.3
135.08057	1.1
136.07491	0.3
137.05942	1.7
140.10712	0.3
141.06966	1.7
142.07803	0.5
143.08525	1.2
144.05754	0.5
145.06470	0.6
145.08920	0.2
146.09662	0.6
147.08031	0.6
148.11252	0.2
149.05943	0.3
151.07571	0.6
152.06190	0.3
152.10681	3.9
153.06976	1.6
154.07767	0.6
154.12268	0.8
155.06010	0.2
155.08540	2.3
156.08060	0.3
157.06470	0.4
157.08858	0.2
157.10120	0.4
158.07288	0.4
158.09654	1.3
159.08029	2.4
159.10440	0.4
160.11250	0.6
161.05972	0.3
161.09570	0.8
163.07489	0.2
164.10677	0.2
165.06987	1.6
166.07788	0.6
167.07228	0.2
167.08534	2.2
168.08066	0.3
169.06525	0.5
169.10144	0.7
170.09660	0.5
171.08006	0.8
171.10388	0.5
172.11183	1.7
173.09650	0.5
173.12025	0.4
174.12819	0.3
176.10768	0.2
178.07776	1.4
178.12222	0.2
179.08514	1.9
180.09383	0.4
181.06465	0.3
181.10152	0.8
182.07216	0.2
182.09680	0.5
182.11775	0.6
183.08038	0.5
183.10399	0.3
184.11206	2.1
185.09608	0.9
185.11987	0.9
186.12750	1.2
187.11205	0.5
187.13486	0.2
188.10732	0.3
190.07777	0.7
190.12241	0.9
191.08557	1.6
192.09332	0.6
193.10101	1.7
195.08020	0.5
195.10268	0.3
195.11801	0.4
196.08882	0.2
196.11221	0.8
197.09628	0.6
197.11942	0.5
198.12737	1.2
199.11229	0.4
199.13469	0.3
200.10631	0.4
200.14368	0.3
202.07797	1.0
202.12216	1.2
203.08516	1.9
203.10329	0.3
204.09325	1.7
204.13742	1.0
205.10095	2.2
207.11693	0.8
208.08882	0.2
208.11195	0.4
209.09636	0.6
210.10942	0.3
210.12691	1.3
211.11243	0.5
211.13551	0.7
212.10545	0.2
212.14337	0.4
213.09094	0.4
214.12265	0.3
215.08557	0.9
215.10539	0.2
216.09329	1.1
216.13843	0.7
217.10118	1.5
217.14572	0.4
218.10852	0.6
218.15376	0.5
219.11646	2.0
220.08910	0.3
221.09618	0.6
221.13324	0.6
222.10562	0.3
222.12761	0.3
223.11214	0.5
224.14333	0.3
225.12857	0.3
227.08611	0.2
228.09367	0.4
228.13892	0.3
229.10069	1.1
231.08022	0.2
231.11713	1.0
232.08868	0.4
233.09685	0.5
233.13240	0.8
234.10521	0.2
234.12796	0.4
235.11160	0.6
237.09160	0.2
237.12741	0.5
238.12146	0.3
240.13881	0.2
242.13095	0.2
242.15370	0.2
245.09499	0.2
246.10422	0.4
246.12675	0.3
247.11151	1.2
248.14421	0.3
249.12732	0.7
250.15895	0.4
251.14378	0.4
252.13835	0.2
252.17450	0.3
253.12285	0.4
260.14352	0.3
261.12714	0.9
262.15952	0.3
263.14224	0.5
264.13919	0.3
265.12213	0.3
274.15933	0.2
278.15433	0.3
279.13760	0.8
286.15909	0.3
290.15332	0.3
291.13782	0.4
292.16898	0.3
293.15302	0.6
304.16971	0.6
306.18289	0.2
310.17990	0.4
318.18408	0.3
322.18155	0.5
324.16019	0.2
324.19537	0.4
334.18045	0.6
336.19513	1.1
350.21320	0.2
352.19006	0.2
354.20477	0.5
364.19064	0.4
366.20563	0.2
368.22287	0.7
370.20126	0.3
378.20752	0.4
384.21347	0.4
396.21649	1.9
402.22873	0.8
410.22998	0.5
428.24301	4.8
429.24423	0.3
460.26886	12.2
461.27179	0.8
488.26715	0.2
492.29434	3.3
520.29199	0.9
523.14545	0.2
552.31604	100.0
553.31940	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01865	0.4
55.05505	1.9
56.05027	3.5
57.03426	0.7
58.06594	6.5
60.04519	0.4
67.05497	2.2
68.72642	0.3
69.03409	2.1
69.07065	2.1
70.06588	1.8
71.04974	1.2
72.08138	0.9
73.02869	0.4
79.05474	1.0
80.04996	0.6
81.03437	1.8
81.07051	4.0
83.04964	0.4
83.08603	0.7
84.08121	0.8
85.02895	5.0
85.06525	0.4
88.07574	0.5
91.05476	1.6
93.07021	0.8
93.23139	0.3
95.04966	0.5
95.08593	2.8
97.02885	2.5
97.06520	0.3
97.10142	0.9
98.09679	0.3
99.04443	3.0
103.03922	3.5
105.07005	1.0
107.04898	0.7
108.08099	5.2
109.02862	2.6
109.10153	1.6
115.05444	0.7
117.07049	0.6
119.08620	0.4
122.09653	1.7
123.04443	0.6
123.11694	0.5
124.11232	1.2
127.03894	8.0
128.06226	0.5
129.07002	1.4
131.08583	1.3
137.06000	0.5
141.06955	1.0
143.08543	1.2
145.04950	1.7
145.06453	0.6
152.10651	0.8
153.06993	0.5
154.07744	0.6
154.12228	2.0
155.08568	1.2
157.06512	0.5
157.10091	0.7
163.05975	0.7
165.07027	0.8
166.07779	0.4
167.07173	0.3
167.08546	1.2
169.06470	0.3
169.10133	0.6
171.08052	0.6
172.11108	0.4
173.09637	0.4
174.12720	0.4
178.12222	0.4
179.08400	0.5
180.09216	0.4
181.10178	0.6
183.08006	0.4
183.11687	0.4
184.11157	0.5
187.05948	0.6
191.08537	0.5
193.10098	0.7
203.08646	0.7
204.09271	0.5
205.10112	0.4
207.11644	0.6
209.09482	0.4
210.22137	11.2
211.11172	0.4
217.09926	0.3
219.11674	0.8
221.13379	0.4
228.23199	9.0
231.11722	0.6
245.15251	0.4
246.24260	15.3
247.11040	0.5
247.24599	0.4
249.12718	0.7
267.13776	0.3
270.24319	0.6
288.25183	0.7
302.01868	0.3
322.17987	0.5
336.25507	0.4
337.20145	0.4
351.69238	0.3
354.20538	0.4
355.21249	1.0
361.83221	0.3
382.20233	0.7
414.22574	2.1
428.24023	0.6
432.23898	0.8
446.25314	9.2
447.26270	0.4
464.26382	2.8
474.25116	0.4
498.30817	0.6
502.27966	0.9
516.30719	0.4
534.30713	9.9
535.30939	0.6
552.31726	100.0
553.32037	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	552.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05505	2.1
56.05029	2.4
57.07066	2.8
58.06591	7.1
67.05482	1.1
68.05016	0.5
69.03429	0.8
69.88394	0.9
70.06583	1.5
71.04983	1.3
72.08141	1.5
73.02904	0.6
75.04487	0.4
76.91776	0.3
79.05477	2.1
81.03410	0.6
81.07048	1.6
82.06557	0.6
83.04994	0.4
83.08598	0.9
84.08141	1.9
84.13539	0.4
85.02881	2.1
85.06522	0.7
88.07603	0.7
88.71581	0.3
91.05480	2.4
93.07034	1.0
94.06551	0.4
95.04967	1.8
95.08588	0.8
96.08100	2.4
97.02866	1.1
97.10173	0.4
98.09717	0.4
98.22592	0.4
99.04465	0.6
99.08096	0.4
100.11237	6.6
102.09167	1.1
103.03959	0.8
103.05447	0.6
105.03379	3.0
105.07006	1.9
107.04935	11.0
107.08642	0.5
108.08097	5.7
109.02864	0.4
109.06520	0.4
109.10148	1.0
110.09689	0.5
110.88659	0.3
111.04413	0.7
112.07582	0.9
113.24652	0.3
114.09161	0.5
115.05460	0.9
116.06247	0.4
117.07009	1.4
119.04910	0.7
119.08554	0.9
121.02868	1.3
121.06530	1.0
122.09659	1.1
123.04374	0.4
123.08034	0.4
124.07563	0.5
124.11254	0.4
126.09149	1.1
127.03911	1.5
128.06221	0.8
129.06970	2.4
131.04860	0.5
131.08536	2.1
133.06537	0.4
133.10117	0.7
134.09622	0.4
135.04388	0.4
135.08025	0.8
137.05931	0.7
140.07047	0.4
140.10666	1.8
141.07025	1.1
143.08528	1.3
145.04991	0.7
145.06491	0.5
145.08835	0.4
145.10143	0.9
146.09685	0.4
147.07997	0.3
149.05981	0.5
152.10661	0.6
154.12177	0.5
155.08556	1.5
157.06508	0.5
158.09523	0.3
159.08052	1.1
161.09569	0.5
163.07445	0.4
165.06993	0.4
167.07111	0.5
167.08586	1.1
172.11200	1.2
173.09447	0.4
174.12802	1.0
178.07788	0.5
179.08514	0.8
180.09264	0.5
181.10165	0.8
182.15349	2.0
184.11224	0.6
185.09700	0.5
186.10480	0.3
186.12683	0.7
188.14267	0.5
189.08865	0.4
190.07777	0.4
191.08554	1.1
192.09172	0.4
193.10147	0.9
195.08060	0.4
197.09509	0.6
198.12764	0.7
199.11198	0.4
202.07797	0.5
203.08559	0.9
204.09352	0.8
204.13823	0.5
205.06888	0.4
205.10112	1.4
207.08104	0.7
209.09572	0.5
209.16443	1.1
210.14799	2.0
210.22124	2.7
211.11191	0.4
211.13336	0.5
211.62245	0.4
215.08662	0.3
215.10757	0.4
216.09470	0.5
217.10152	0.7
218.15315	0.5
219.11710	1.0
223.11047	0.5
223.16844	0.5
228.23172	1.9
231.11751	0.8
233.13470	0.5
235.11145	0.6
237.12724	0.4
239.10518	0.5
246.24239	1.8
247.11226	0.7
249.12666	0.6
261.12738	0.6
292.16815	0.5
310.17969	0.8
314.10193	0.7
322.18112	0.9
326.28070	0.6
340.19058	1.5
354.20529	0.5
358.03778	1.4
372.21783	0.8
382.20303	0.7
396.21255	0.5
400.21265	0.8
414.22769	1.1
415.14508	0.4
428.24451	1.2
432.23801	13.4
433.24307	0.6
442.25943	0.4
450.24826	2.6
460.26935	3.4
467.11334	0.4
481.31354	0.4
492.29910	0.4
502.28162	0.9
516.29346	0.6
534.30481	12.6
535.30896	0.5
552.31616	100.0
552.43951	8.4
553.32001	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	552.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.0
56.19036	0.4
58.06596	7.1
67.05488	0.7
69.03453	0.7
70.06570	0.7
71.04997	0.5
71.27079	0.5
72.08156	1.4
73.02905	0.6
79.05493	1.3
81.07030	0.5
83.04973	0.6
84.08148	1.4
85.02886	1.3
88.07633	0.6
91.05474	2.4
93.07039	1.0
95.04958	0.6
96.08141	2.0
97.02916	1.0
98.09686	0.9
101.52103	0.5
102.09182	1.2
105.07027	1.9
107.04951	2.5
107.05566	0.5
107.08583	1.0
108.08123	2.4
110.09691	0.5
114.09164	1.1
115.03880	0.6
117.07027	1.7
119.04950	0.6
119.08623	1.0
121.06500	0.6
123.04422	0.6
128.06262	0.5
129.07010	1.7
131.08574	1.5
133.06621	0.5
133.10144	0.7
134.42160	0.6
137.06003	0.9
140.10693	2.9
141.06956	0.8
143.08609	2.0
145.10107	0.7
154.38646	0.5
155.08549	1.6
157.10139	0.6
158.60736	0.5
165.07010	1.0
167.08606	1.1
169.10086	0.8
173.09578	0.5
174.12817	0.7
175.14886	1.1
178.07774	0.6
179.08603	0.6
181.10217	1.0
191.08665	0.5
193.10146	0.7
209.09613	0.7
223.11238	1.0
223.13206	0.9
227.16400	0.5
233.13219	1.0
245.13203	0.5
263.57993	0.5
266.12741	0.5
294.18613	1.5
296.20114	0.6
304.85486	0.5
306.18625	0.6
310.10596	0.5
324.19470	0.8
354.20605	1.8
366.20667	1.1
384.21704	4.1
386.23367	1.2
398.22989	1.1
416.24274	16.0
417.24890	0.9
434.25244	6.4
508.29132	0.7
534.30597	6.8
552.31628	100.0
553.31995	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	552.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.9
56.05026	2.1
57.03436	1.3
58.06594	6.5
59.04999	0.5
67.05498	1.3
69.03408	1.0
69.07062	1.1
69.52522	2.0
71.04984	3.5
72.08142	1.3
73.02906	1.0
73.06522	0.6
78.65575	0.5
79.05491	1.7
81.07046	1.8
83.04961	1.3
83.08610	1.0
84.08128	1.1
85.02893	6.1
88.07628	0.7
91.05473	2.8
93.07036	1.8
95.04967	1.8
95.08606	1.4
95.46371	0.5
96.08102	2.2
97.02871	1.1
97.06525	1.0
98.09693	0.4
99.04472	0.8
102.09203	1.0
103.05457	0.6
105.07018	3.8
107.04952	3.0
107.08583	2.0
107.93099	0.4
108.08105	3.1
109.06528	1.4
109.10144	1.7
110.09676	0.7
111.01215	0.5
111.04424	0.8
111.08039	0.5
114.09168	1.1
115.05444	0.7
117.07001	2.0
119.04935	0.6
119.08558	6.0
121.06502	0.8
121.10133	1.6
122.09686	1.5
123.08043	1.8
123.11718	0.6
126.09138	0.6
127.03931	0.4
128.06241	1.0
129.05498	1.2
129.06961	2.6
131.08568	2.1
133.10110	7.0
135.08025	0.9
137.06015	0.6
137.09589	0.6
140.10677	4.0
141.06975	1.2
142.07790	0.6
143.08549	1.6
145.04938	0.5
145.10149	1.4
147.06482	0.6
147.08078	0.5
147.11670	1.2
151.11124	0.9
153.07056	1.0
153.09096	0.8
154.07793	0.5
155.08546	1.9
157.10121	1.1
159.08051	0.7
159.11633	0.6
163.14819	0.4
165.06961	0.8
166.07730	0.5
167.08568	1.5
167.14284	0.7
169.10124	0.6
172.11194	0.7
173.13278	1.7
174.12779	0.8
175.14793	17.9
176.15317	0.5
178.07796	0.8
179.08600	1.2
181.10135	0.9
188.14380	0.5
191.14334	1.1
192.09288	0.5
193.10172	1.3
193.15866	2.9
200.14326	0.8
200.33441	0.4
205.10205	0.4
207.11682	0.8
209.15297	4.2
218.11029	0.6
223.11258	0.8
223.13263	0.8
227.16496	0.9
233.13365	0.5
235.18552	0.5
241.12218	0.8
241.14389	0.7
249.12866	0.6
251.14482	0.7
261.12936	0.6
288.17426	0.5
294.18546	1.8
306.18695	0.7
312.19730	0.4
324.19601	1.4
338.21152	0.5
342.20755	0.6
354.20740	1.7
356.18460	0.8
358.19980	0.8
366.20612	1.1
374.22903	0.7
384.21664	5.3
388.21335	0.5
391.01147	0.5
398.23267	1.6
416.24246	17.5
434.25360	7.3
534.30585	7.3
552.31610	100.0
553.24127	0.8
553.31915	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	552.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
54.46766	0.2
55.01869	0.4
55.05503	0.7
56.05022	2.0
57.03436	0.8
58.06591	7.9
58.06864	0.6
61.02908	0.4
62.67830	0.3
67.05487	0.8
67.21831	0.2
67.45467	0.2
69.03410	0.7
69.38029	0.3
69.96988	0.3
70.06573	0.5
71.04993	0.8
71.44375	0.4
72.08138	1.3
73.02924	0.6
73.06593	0.3
77.05476	0.2
79.05486	1.0
83.04950	0.7
84.08139	1.0
85.02903	1.4
86.09713	0.6
91.05463	2.3
93.07047	1.1
95.04946	0.7
95.08625	0.3
96.08113	1.7
97.02901	1.0
98.09665	0.4
99.04510	0.3
101.06038	0.4
101.59595	0.3
102.09155	0.9
103.05428	0.4
105.07027	1.2
107.04937	2.7
107.08601	0.8
108.08099	2.9
109.06458	0.3
110.09673	0.9
110.13505	0.3
111.04475	0.5
114.09167	0.7
115.03884	0.3
115.05431	0.7
117.07042	1.5
119.04956	0.7
119.08584	0.8
121.06487	1.0
122.09654	1.3
123.04428	0.4
126.09155	0.9
127.03911	0.3
129.06955	2.2
131.08531	1.7
133.04958	0.4
133.06482	0.4
133.10167	0.6
135.08022	0.4
137.05984	0.7
140.10712	3.1
141.06990	1.1
143.08568	1.4
145.06555	0.7
145.10147	0.8
147.08051	0.4
148.11238	0.4
153.07016	0.5
154.12267	0.6
155.08505	1.8
157.06483	0.6
157.10143	0.8
165.07024	0.4
166.07715	0.5
167.07182	0.4
167.08476	1.4
169.10132	0.9
171.08058	0.4
172.11226	0.8
174.12799	0.6
175.14853	0.3
178.07800	0.3
179.08571	1.1
180.09250	0.4
181.10143	0.6
183.08067	0.6
183.11652	0.5
184.11253	0.3
185.09587	0.5
186.12827	0.9
188.14285	0.3
191.08519	0.4
193.10143	0.8
195.08170	0.4
195.11574	0.6
197.09587	0.4
198.12715	0.4
200.14363	0.8
201.15164	0.3
203.08498	0.4
205.10229	0.7
207.11742	0.8
209.09721	0.4
212.14272	0.4
214.12213	0.3
216.09482	0.4
218.11037	0.3
219.11745	0.3
221.13298	0.4
222.49342	0.3
223.11307	0.6
223.13313	1.4
228.16763	0.4
231.11629	0.7
233.13234	0.8
235.11243	0.4
235.14899	0.3
249.12860	0.4
251.14459	0.5
278.15491	0.3
281.15271	0.4
285.14120	0.3
294.18500	2.1
306.18576	0.9
324.19406	1.4
344.36246	0.3
354.20667	1.2
356.18311	0.5
356.22202	0.7
358.20169	0.7
366.20676	1.2
384.21609	4.2
386.23196	0.7
398.23083	1.9
402.22629	0.5
404.24265	0.4
416.24249	15.6
417.24655	0.5
434.25250	7.4
435.25735	0.4
489.37082	0.3
492.26160	0.5
534.30585	7.5
535.30768	0.6
552.31610	100.0
553.23846	0.4
553.31934	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	552.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01855	1.7
55.05500	7.0
56.05022	1.8
57.03437	4.1
57.07067	1.8
58.06594	6.2
60.04509	1.0
61.02912	1.6
67.05502	8.6
69.03414	11.4
69.07059	7.6
70.06590	6.7
71.04987	2.4
73.02912	1.5
79.05486	3.2
81.03408	9.3
81.07047	14.3
83.01302	1.0
83.05003	1.0
83.08611	3.0
84.08118	2.2
85.02892	29.3
91.05468	2.1
91.89539	0.7
93.07034	1.8
94.06586	0.9
95.04919	1.9
95.08597	13.5
96.08120	1.4
97.02869	11.1
97.10161	2.8
99.04442	14.8
103.03919	16.4
103.05513	0.9
105.07017	1.8
107.04939	4.3
108.08087	2.0
109.02856	8.9
109.10133	6.5
112.48654	1.0
119.08600	1.1
122.09673	0.9
123.08089	1.1
123.11725	1.9
127.03894	29.6
128.06204	1.3
129.06963	1.3
131.08620	0.9
136.07553	2.0
137.05954	3.0
143.08588	1.9
145.04933	8.8
163.06030	2.3
164.35251	0.9
167.07057	3.3
177.05405	0.9
187.05980	2.0
207.11679	1.1
210.22127	43.0
228.23193	29.5
246.24248	54.4
251.11989	0.9
252.23291	1.2
271.08188	1.6
288.25351	4.2
318.24854	1.4
336.25293	1.6
371.14819	1.2
372.15054	4.9
417.10687	1.0
432.23883	5.0
460.26871	1.7
492.28781	1.0
498.30542	2.1
516.31464	1.8
534.31836	10.7
552.32867	100.0
553.32941	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05506	5.7
56.05007	1.3
57.03407	1.5
57.07051	1.1
58.06598	4.6
61.02903	0.7
67.05499	5.3
69.03419	3.3
69.06704	0.6
69.07056	8.1
70.06579	6.3
71.04973	1.6
71.44753	0.4
72.08147	0.7
73.02904	1.1
75.04460	0.6
79.05483	1.0
81.03403	3.7
81.07047	10.4
83.08619	3.0
84.08108	1.0
85.02407	0.7
85.02895	12.9
85.06540	0.5
87.04411	0.4
88.07619	0.6
91.05443	1.3
93.07007	0.9
95.04932	0.5
95.08597	10.1
96.08093	0.7
97.02877	5.5
97.10157	3.0
98.09665	0.5
99.04439	6.3
102.09183	0.5
103.03928	12.2
105.03378	0.4
105.06993	1.1
107.04906	0.7
108.08082	1.3
109.02859	4.1
109.06502	0.8
109.10143	4.1
111.11692	0.6
119.08563	0.5
121.06447	0.6
121.08817	0.5
122.09641	0.5
123.11715	1.4
127.03900	17.6
128.06137	0.4
129.06953	1.9
133.06389	0.4
134.09631	0.6
135.08003	0.7
135.55507	0.4
137.05872	0.6
137.13258	0.6
141.06987	0.7
143.08592	0.7
144.72670	0.4
145.03827	0.6
145.04933	9.0
151.07605	0.5
152.10654	1.4
153.06992	0.6
154.12231	0.5
155.08522	1.4
158.09622	0.6
159.08015	0.9
163.05998	6.5
165.07002	1.1
167.08551	1.0
171.08046	0.5
172.11197	0.6
173.09529	0.7
174.12563	0.5
178.07727	0.7
179.08516	0.7
181.10146	0.6
184.11116	0.6
185.11896	0.4
186.12675	0.7
187.06013	1.3
191.08437	0.6
193.10146	0.8
195.08038	0.5
197.09610	0.5
198.12814	0.5
202.12248	0.6
203.08513	1.2
205.06995	0.9
205.10120	1.0
210.22142	60.5
211.22455	1.4
216.09320	0.5
219.11617	0.7
228.23193	100.0
229.09973	0.5
229.23503	2.0
231.11641	0.8
246.24240	6.2
247.11288	0.6
271.08099	1.7
288.53662	0.4
289.09210	1.0
293.15259	0.5
307.10117	1.9
318.18719	0.6
336.19437	0.7
396.21268	0.7
428.24426	2.1
432.23599	1.1
460.26797	5.1
492.29303	1.4
534.32611	3.4
552.31970	60.5
553.32074	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	552.4021
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
53.94991	0.3
55.05487	1.1
56.05017	1.4
57.03434	0.5
57.07065	3.0
58.06588	1.6
60.08156	16.2
63.79539	0.3
65.47387	0.4
65.68960	0.3
67.05492	1.1
69.07043	1.0
71.07369	6.4
71.08612	1.8
81.07050	1.8
83.08589	0.8
84.92712	0.3
85.10168	0.7
86.09694	45.5
87.10043	0.7
88.97536	0.4
95.08589	2.0
98.22688	0.9
98.98449	3.9
104.10729	100.0
105.11047	1.0
109.10116	0.8
124.99986	26.0
140.83495	0.4
163.01530	0.5
184.07318	97.0
185.07677	0.6
208.81503	0.4
251.19536	0.4
258.11011	1.6
369.33646	1.8
474.85657	0.4
534.39124	6.8
547.83789	0.3
552.40210	34.5
553.40521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2981
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.34591	0.5
52.33418	0.4
55.01841	0.4
55.05512	0.5
56.46413	0.4
62.00198	0.5
67.05492	1.9
67.05818	0.4
74.42593	0.5
79.05479	0.7
81.07042	0.7
83.01077	0.6
86.69234	0.4
93.07082	0.6
93.09836	0.4
95.01109	0.6
95.04968	0.6
96.99598	0.4
107.08546	0.6
109.10161	1.7
125.72405	0.5
135.08044	0.6
184.03464	0.6
185.04240	1.6
201.03741	1.2
203.05281	1.8
218.69176	0.5
259.07880	1.5
322.98807	0.5
331.09818	3.2
342.89963	0.4
345.11362	0.8
359.13242	0.7
373.14786	0.6
391.24533	0.7
415.19128	0.9
483.22119	2.3
553.29761	100.0
554.29950	5.6
579.75940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2978
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.81250	0.3
52.99559	0.3
55.01830	0.3
55.05518	0.4
56.65829	0.3
77.85181	0.3
81.07043	0.4
82.71465	0.3
83.75446	0.3
83.93414	0.3
85.36104	0.3
91.85757	0.3
107.08601	0.3
108.02007	0.4
115.76669	0.3
119.87720	0.3
125.91626	0.3
203.05249	0.8
232.58789	0.3
259.07788	0.8
391.24466	1.0
432.23364	0.3
553.29736	100.0
554.30090	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	554.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01854	2.4
55.05492	0.7
56.05015	1.2
57.03427	5.7
58.06590	5.8
60.04515	0.8
61.02628	0.6
61.02918	8.1
67.05482	1.4
69.03419	17.3
69.07056	0.5
71.04984	2.7
71.44595	0.5
72.08138	0.5
73.02908	4.1
73.06535	0.8
77.80415	0.4
79.05470	1.1
80.05021	0.6
81.03407	9.7
81.07037	1.6
83.01327	0.8
84.04478	0.7
84.08135	0.8
85.02892	100.0
87.04458	2.7
89.44816	0.5
91.03944	4.8
91.05446	2.2
93.07034	1.3
95.04967	2.3
95.08608	1.0
96.04494	0.5
97.02880	29.3
98.06064	0.4
98.09682	1.7
99.04438	4.8
101.02361	0.5
101.43166	0.4
103.03929	0.9
105.03375	10.4
105.04485	0.5
105.07031	1.6
107.08592	0.7
108.08105	1.7
109.02859	9.2
109.06493	0.6
109.10160	1.5
115.03957	1.1
115.71597	0.4
117.06972	0.9
119.08605	0.8
119.31389	0.4
121.06476	0.6
121.86960	0.4
122.09664	1.7
123.11697	0.5
124.11266	0.8
125.01528	12.5
125.02386	0.8
126.05578	0.5
127.03898	28.4
128.06201	0.7
129.07024	1.4
131.08589	1.3
133.10121	0.4
135.08028	0.6
137.05933	0.5
139.03098	0.8
141.07008	0.9
141.12776	0.5
143.08582	1.2
144.06549	2.8
145.04936	47.5
145.10136	0.8
146.05269	0.7
147.11676	0.6
153.07063	0.4
155.08549	0.8
157.10143	0.6
160.11174	0.6
162.07669	1.3
163.05995	14.1
165.16437	1.0
167.06207	15.5
167.08571	0.8
168.06651	0.6
169.10114	0.8
174.14452	0.4
179.08629	0.9
180.08699	1.7
181.10165	0.9
183.11780	0.8
189.16426	0.6
195.11775	0.6
205.10097	0.5
207.17422	0.9
211.16931	0.6
213.06657	2.1
217.10208	0.5
225.12805	1.1
225.18576	1.2
233.13414	0.9
269.06268	7.0
271.08182	0.8
294.18610	0.6
301.22699	0.5
308.03009	0.5
309.03970	1.4
324.13046	0.5
339.10175	1.2
357.10837	2.2
368.22137	0.5
400.25024	1.2
406.26093	0.5
522.28613	5.5
536.26892	0.7
554.31342	35.8
555.10968	4.0
555.31537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.0
51.02380	1.8
53.03912	2.1
55.01859	1.2
55.05489	1.6
56.05016	2.1
58.06594	79.6
67.05486	3.3
67.76422	1.0
69.03415	1.3
69.07069	1.2
70.03297	1.1
70.06569	3.0
70.71976	1.2
75.04457	1.0
77.03877	2.4
79.05471	4.5
81.03401	2.3
81.07032	4.6
82.06555	1.8
84.08124	1.4
85.02888	2.1
91.05460	5.1
93.07002	4.1
94.06519	1.5
95.04957	12.8
95.08560	3.0
96.08113	2.2
96.58338	0.9
103.05444	1.4
105.03380	100.0
105.04383	6.0
105.07013	9.7
106.03692	2.4
107.08581	1.7
108.08087	2.3
109.06442	2.0
115.05389	1.9
117.06986	4.6
119.08554	3.2
121.06484	1.4
123.04383	1.4
128.06143	3.1
129.06961	4.8
131.04933	1.7
131.08545	5.4
133.10101	1.2
134.09659	1.5
141.06929	3.4
142.07712	2.1
143.07344	1.0
143.08511	5.8
144.08040	3.1
145.06448	1.3
146.09596	3.4
147.08061	1.5
150.09058	2.7
151.11043	1.3
153.06960	2.0
155.08524	3.5
157.06512	1.3
157.10077	2.7
158.09599	3.4
160.11180	4.4
162.09097	3.3
165.06926	3.4
166.07733	2.1
167.08522	3.8
169.10081	4.2
172.11194	1.2
173.09607	2.5
178.07657	2.3
179.08562	6.0
180.10251	11.9
181.10123	4.8
182.11684	4.5
183.08025	1.5
183.11627	1.7
186.12646	1.0
189.06874	1.2
190.07614	1.7
191.08467	3.2
192.09221	3.3
193.10078	4.0
194.11000	1.2
195.07988	2.0
195.11597	3.6
197.09645	1.0
197.13185	1.8
203.08482	2.3
205.10107	4.7
207.07970	1.0
207.11749	5.6
209.09555	2.4
209.13257	2.0
211.11055	1.2
212.10634	1.5
215.08456	1.0
217.10059	1.4
219.11626	1.9
221.13206	3.0
222.12741	1.8
223.11113	2.8
223.14783	1.4
225.18489	2.2
229.10007	1.7
233.09512	1.7
235.14792	1.1
237.12711	1.5
238.15839	2.0
249.08984	1.1
249.16365	2.2
259.14423	1.7
265.15826	2.6
266.15268	3.1
266.18823	2.3
276.17392	2.5
277.15695	1.5
279.09937	2.9
284.16382	2.0
293.17551	1.2
294.15308	1.8
294.18488	30.7
312.19528	20.0
326.20932	1.5
336.19492	4.6
354.16528	1.8
354.20575	23.6
372.21658	4.7
388.20062	1.2
388.24622	3.9
396.21628	2.0
400.20673	1.2
406.25488	3.2
414.22696	30.8
415.22580	1.2
432.23514	1.6
490.22247	11.0
522.24396	3.8
536.26385	33.8
537.26501	1.9
554.27124	79.7
555.27490	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	554.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.9
55.05505	21.8
57.03433	16.6
58.06571	5.4
61.02911	14.3
62.87834	3.0
67.05489	8.2
69.03420	51.5
69.07055	10.1
70.06558	3.5
70.31793	6.3
70.32108	3.5
71.01332	6.5
71.04971	11.9
73.02544	3.7
73.02912	54.4
77.54398	3.2
79.05484	12.8
81.03415	7.9
81.07040	11.6
83.04961	20.4
83.08594	7.2
85.02894	92.2
87.04459	6.0
91.05459	19.3
93.07028	13.8
95.04958	11.8
95.08588	16.0
96.04445	5.8
97.02879	72.1
97.06510	8.9
99.04423	21.4
103.05424	3.9
105.07019	51.0
107.08576	24.3
109.02858	6.7
109.06519	10.7
109.10168	16.8
111.04387	3.1
115.03915	28.9
117.07020	5.4
119.08565	64.1
121.06472	6.1
121.10110	17.7
121.13358	3.8
123.08028	11.1
123.11694	8.7
125.09652	5.4
127.03882	29.9
130.27179	3.6
131.08490	7.9
133.04939	35.5
133.10083	21.8
135.08032	9.0
135.11682	13.1
137.09564	7.0
137.13248	22.4
143.08479	4.3
144.09309	4.3
145.04947	39.7
145.10095	12.0
147.08032	6.1
147.11668	23.4
149.09604	30.5
156.09358	11.8
159.11664	16.4
161.09624	4.1
161.13242	67.9
163.05995	24.6
163.11220	8.0
165.12723	7.0
171.11679	15.3
172.72366	3.6
174.10429	4.7
179.14265	10.2
189.12700	70.1
207.13777	100.0
216.06627	3.9
223.06108	8.0
225.14825	62.4
241.07059	9.2
243.15857	5.5
259.07831	24.5
295.10062	16.5
311.09067	5.5
321.16925	8.4
339.08542	5.7
339.17923	3.8
392.20389	5.6
554.21448	6.2
554.29535	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01853	2.2
55.05257	1.0
55.05505	13.2
57.03430	6.0
58.06576	1.3
59.04971	0.6
61.02919	3.7
64.08247	0.6
67.05504	2.8
69.03420	8.8
69.07059	1.3
69.75043	1.6
71.01337	1.4
71.04965	2.8
73.02905	17.9
79.05476	1.6
81.03393	2.5
81.07039	3.2
83.04967	23.2
83.08614	0.7
85.02893	20.3
85.06495	0.8
87.04449	4.1
91.05460	1.9
93.07047	2.7
95.04942	2.6
95.08591	2.2
97.02878	14.6
97.06504	1.1
98.87641	0.6
99.04446	5.4
103.03908	1.3
105.07022	3.2
107.04948	0.7
107.08566	6.0
109.02866	2.4
109.06500	3.7
109.10153	6.2
110.07151	1.2
111.08080	1.6
115.03910	7.3
117.05517	0.6
119.08546	2.6
121.06478	1.0
121.10132	3.5
123.08038	8.5
123.11680	1.2
125.05989	1.0
125.09605	4.2
127.03893	8.3
127.07546	0.7
131.08557	1.8
133.04941	6.3
133.10086	1.2
135.08011	2.7
135.11700	0.8
137.05931	0.9
137.09593	2.1
137.13261	1.4
139.11162	1.0
139.72279	0.5
145.04932	8.1
145.10106	1.6
147.08006	0.6
147.11658	4.1
149.09589	5.6
150.07538	0.8
151.03888	1.2
151.07527	2.2
152.08252	2.1
153.09035	0.9
155.07011	0.8
156.09262	0.6
159.11658	1.8
161.09569	1.2
161.13251	1.8
163.05981	4.9
163.11261	2.6
165.12682	3.7
167.10635	2.3
171.10269	0.7
171.11710	2.0
173.08055	1.9
177.12787	0.6
185.11642	0.6
189.12727	4.8
195.06532	0.7
197.11684	2.2
207.13821	7.8
211.09671	0.6
223.05971	1.6
223.13252	0.7
225.14818	100.0
226.15152	1.8
231.13824	1.0
241.07033	1.9
241.14297	1.6
249.14719	0.5
259.07999	3.7
295.10132	1.6
321.16675	1.0
339.08258	0.7
339.18069	0.7
357.18948	5.2
392.24222	2.6
487.53207	0.6
554.12518	1.1
554.28851	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	554.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01862	2.2
55.05503	43.1
55.05772	2.1
57.03431	2.8
59.04981	1.2
61.02915	3.7
67.05490	3.2
69.03414	14.3
69.07056	2.0
69.19693	3.7
69.20097	3.0
71.04983	11.5
73.02903	13.4
73.66921	1.1
79.05480	4.0
81.03413	2.1
81.07069	6.4
83.04965	38.6
83.08579	1.4
85.02886	17.9
87.04468	1.8
91.05463	3.1
93.03804	1.2
93.07010	7.7
95.04947	5.3
95.08607	3.0
97.02877	12.0
97.06519	1.9
99.04438	33.8
105.07001	6.5
107.08579	8.5
109.02876	1.7
109.06505	4.2
109.10143	8.3
111.08096	1.9
114.53190	1.2
115.03918	5.5
119.08555	5.2
121.06564	1.2
121.10127	7.7
123.08043	6.9
123.11681	6.3
125.09624	14.6
127.03896	5.8
127.11159	1.9
131.08551	3.3
133.04984	6.1
135.08005	2.1
135.11621	1.7
137.09579	3.4
143.10670	2.3
145.04932	5.6
145.10147	1.7
147.11685	3.7
149.09590	72.8
151.11163	3.3
153.09094	2.3
161.13269	2.0
163.05977	3.6
165.12717	5.0
173.08141	1.5
173.24724	1.2
189.12709	3.2
207.13757	48.5
223.06023	1.9
225.14810	100.0
226.15063	2.1
241.07060	2.1
243.15930	3.5
259.08072	3.3
295.10422	1.8
321.16830	1.4
422.44492	1.5
518.66803	1.5
554.29663	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	554.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
56.05029	0.9
56.42618	0.7
58.06588	6.3
67.05483	1.8
69.25543	0.7
71.04973	1.9
71.45432	0.6
72.08144	3.3
79.05473	2.7
81.07050	1.2
85.06516	1.1
91.05461	4.1
93.07013	2.3
95.04947	3.3
95.17342	0.6
103.05447	4.6
105.03382	6.5
105.07002	3.2
108.08087	1.9
109.06532	0.8
110.09657	0.9
110.60497	0.7
117.07024	3.6
119.08553	1.1
121.06469	1.7
122.09651	1.8
128.06197	1.4
129.06973	3.2
131.04916	6.4
131.08524	2.1
133.06467	1.2
134.09657	1.1
141.06956	2.2
143.08548	2.2
145.10144	0.9
147.08041	1.1
148.11188	1.5
153.06987	1.2
154.12225	2.2
155.08479	3.1
157.10059	1.2
159.08040	0.8
165.06937	0.8
166.07768	0.9
167.08524	2.5
169.10089	1.5
172.11176	1.1
176.39522	0.6
179.08543	2.5
181.06476	0.8
181.10135	2.0
183.07980	0.7
185.09706	0.7
186.12691	0.8
191.08522	1.6
192.09222	0.9
193.10101	1.7
195.11774	1.2
197.09518	0.7
198.12823	0.9
203.08534	0.7
205.10081	1.4
207.11568	1.1
217.10141	1.0
219.11763	0.8
221.13239	0.9
223.11021	0.9
239.14240	0.7
264.17511	0.9
296.16495	0.9
324.19492	1.4
328.19055	6.6
356.22122	7.7
360.21552	1.6
370.23752	3.6
388.24747	37.9
389.24976	1.8
400.21152	1.1
406.25787	42.1
407.26007	1.8
432.23663	5.7
436.21259	1.6
494.25006	1.2
522.24451	0.9
536.16211	0.7
554.31348	100.0
555.31885	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	554.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05492	0.5
56.05033	2.8
58.06592	12.5
65.12495	0.4
67.05498	1.6
69.18577	1.0
69.18993	2.4
71.04978	0.8
72.08159	1.4
72.95829	0.5
77.03940	0.9
79.05495	1.8
80.04993	0.6
81.03409	0.9
81.07060	0.8
82.06590	0.5
84.08127	1.3
85.02888	2.6
86.96255	0.4
90.94286	0.5
91.05472	3.5
93.07034	1.5
94.06583	0.5
95.04980	3.0
96.08083	0.6
96.99428	0.5
97.02894	0.6
98.09671	4.5
98.23421	1.0
105.03385	14.2
105.04473	0.8
105.07025	2.5
107.04924	1.0
108.08092	4.2
109.02863	0.6
109.06496	1.0
110.09690	0.8
116.61187	0.6
117.07014	2.1
119.08590	1.0
122.09667	4.4
123.08043	0.6
124.11237	2.1
125.01515	0.5
126.23834	0.5
127.03961	1.5
128.06198	1.4
129.07001	2.2
131.08574	2.2
133.10097	0.8
135.08078	0.6
135.17226	0.5
137.06003	0.7
141.07025	1.7
143.08548	2.7
145.10072	1.2
148.11195	0.6
153.07021	1.1
154.07706	0.9
155.08546	2.8
157.06477	0.7
157.10091	1.0
158.09694	0.5
159.08028	0.5
165.06918	1.3
166.07776	0.7
167.08566	1.5
169.10109	1.5
171.07993	0.4
171.11674	0.9
178.07791	0.7
179.08559	2.2
181.10114	1.7
183.11705	0.6
186.12856	0.8
188.14273	0.6
191.08574	0.8
192.09282	0.5
193.10103	1.1
195.08101	0.6
195.11691	0.9
197.13251	0.9
198.21371	0.5
203.08476	0.8
205.10005	1.1
207.11722	1.2
209.09685	0.6
209.13205	0.6
215.08733	0.5
217.10136	0.7
218.11626	0.5
219.11653	0.6
223.14760	0.6
225.12749	1.6
233.13301	0.8
235.14920	0.7
239.14090	0.5
245.13356	0.7
247.14897	0.6
265.15808	1.2
269.06308	10.9
308.03046	0.6
308.19931	0.7
309.03705	1.6
340.22534	0.6
368.22339	1.2
371.23557	0.6
400.24890	2.7
462.26608	0.7
463.48157	0.6
490.25818	1.0
504.27823	0.7
522.28461	16.3
523.28760	1.1
554.31067	100.0
555.11047	6.8
555.31378	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	554.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01849	0.9
55.05500	3.6
55.65697	0.5
57.03424	1.3
57.07048	1.0
58.06588	0.6
61.02902	1.1
61.48465	0.5
67.05503	2.4
68.23540	0.5
69.03427	3.1
69.06693	0.8
69.07053	8.0
70.06578	0.7
71.04971	1.9
73.02902	1.2
77.17905	0.6
79.05487	3.3
81.03410	1.4
81.07038	8.4
83.08610	4.5
85.02888	16.2
85.06522	2.0
91.05470	1.6
93.07036	8.1
95.04962	0.6
95.08591	18.3
95.75581	0.5
97.02891	3.8
97.10151	3.2
99.04459	1.2
99.08070	6.5
105.07007	2.6
107.04958	0.5
107.08578	23.5
109.02856	1.6
109.06528	1.0
109.10150	5.0
111.08070	4.2
111.83271	0.4
112.07583	0.8
113.09608	1.1
119.08584	1.4
121.10127	38.5
122.10471	0.7
123.07983	0.7
123.11728	0.9
125.09589	4.0
127.03915	3.8
132.14317	0.5
133.10120	1.0
135.11662	8.1
137.13231	4.2
139.11195	0.7
145.04939	7.0
147.11670	0.6
149.13243	2.9
154.06273	0.5
163.05960	4.1
166.01295	0.5
175.03212	0.5
175.14821	0.6
177.16356	100.0
178.16731	2.4
191.14290	0.5
195.17424	21.3
196.07745	0.5
213.18457	36.7
214.18712	0.6
225.14561	0.5
260.14163	0.5
267.45380	0.5
325.11185	0.8
375.23511	1.2
554.30243	2.9
560.71637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01849	0.9
55.05500	3.6
55.65697	0.5
57.03424	1.3
57.07048	1.0
58.06588	0.6
61.02902	1.1
61.48465	0.5
67.05503	2.4
68.23540	0.5
69.03427	3.1
69.06693	0.8
69.07053	8.0
70.06578	0.7
71.04971	1.9
73.02902	1.2
77.17905	0.6
79.05487	3.3
81.03410	1.4
81.07038	8.4
83.08610	4.5
85.02888	16.2
85.06522	2.0
91.05470	1.6
93.07036	8.1
95.04962	0.6
95.08591	18.3
95.75581	0.5
97.02891	3.8
97.10151	3.2
99.04459	1.2
99.08070	6.5
105.07007	2.6
107.04958	0.5
107.08578	23.5
109.02856	1.6
109.06528	1.0
109.10150	5.0
111.08070	4.2
111.83271	0.4
112.07583	0.8
113.09608	1.1
119.08584	1.4
121.10127	38.5
122.10471	0.7
123.07983	0.7
123.11728	0.9
125.09589	4.0
127.03915	3.8
132.14317	0.5
133.10120	1.0
135.11662	8.1
137.13231	4.2
139.11195	0.7
145.04939	7.0
147.11670	0.6
149.13243	2.9
154.06273	0.5
163.05960	4.1
166.01295	0.5
175.03212	0.5
175.14821	0.6
177.16356	100.0
178.16731	2.4
191.14290	0.5
195.17424	21.3
196.07745	0.5
213.18457	36.7
214.18712	0.6
225.14561	0.5
260.14163	0.5
267.45380	0.5
325.11185	0.8
375.23511	1.2
554.30243	2.9
560.71637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61017	1.0
56.96279	2.6
56.96555	36.0
56.96835	2.2
58.43116	0.9
61.96735	1.1
62.45405	0.9
62.53608	0.9
63.27725	1.0
69.43449	1.6
69.43819	1.8
72.92244	1.0
77.19012	1.0
78.48431	1.0
84.96022	12.1
98.97563	94.1
107.22613	1.0
110.96801	1.6
110.97554	33.4
116.98599	29.7
122.97501	2.7
124.99113	4.4
127.00646	2.2
128.98581	29.2
128.99504	2.0
131.00117	1.1
134.99617	5.4
140.00128	1.2
140.98563	23.7
143.00136	20.3
145.01691	1.6
146.99615	9.9
150.97034	1.5
152.98532	8.1
155.00244	1.7
158.99626	43.2
161.01192	19.5
168.98032	12.1
170.99620	48.0
173.01250	2.6
174.99149	1.7
177.00688	21.3
177.02216	1.4
179.02187	2.2
182.99612	24.9
186.99110	45.5
189.00664	35.1
189.02397	1.5
191.02289	1.6
194.99580	1.2
195.01715	2.2
201.00667	78.3
203.02303	2.7
205.00156	36.7
207.01814	2.0
212.97060	4.6
213.00581	6.5
219.01733	61.7
223.01218	2.0
229.00127	13.3
230.98105	21.3
231.01617	6.1
237.02774	29.5
243.01730	28.5
247.01204	11.4
248.99133	33.9
253.00133	2.6
254.98128	3.2
259.01270	4.0
261.02780	100.0
267.00201	1.8
271.01147	2.0
272.99130	15.4
273.02740	9.4
273.99457	1.1
279.03812	46.4
283.01196	1.4
289.02289	1.6
291.00189	8.3
291.03799	18.8
297.04910	1.3
303.00140	3.8
303.03674	1.5
309.05182	1.5
313.02148	1.8
315.00140	2.6
321.04852	55.8
331.03299	9.0
333.01184	3.7
333.04926	8.2
349.04321	6.7
351.05942	18.2
357.01025	5.5
373.04208	2.9
375.02264	21.4
381.06937	10.5
393.03293	18.3
399.07956	13.3
417.03394	1.4
493.08606	4.1
511.09018	1.8
537.07532	36.7
538.07666	2.2
547.04834	1.1
555.08521	14.7
555.16577	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96281	1.9
56.96557	35.5
70.12704	2.6
70.13063	2.6
84.96030	11.4
98.97571	88.1
110.97552	29.6
112.99121	1.8
116.98611	30.9
116.99397	2.4
122.97562	1.5
124.99119	3.5
127.00711	1.9
128.98596	30.8
134.99632	8.4
135.99362	1.4
140.98582	20.4
143.00154	20.1
145.01659	1.2
146.99622	10.3
152.98621	5.2
155.00069	1.3
158.99640	37.3
161.01213	16.0
168.98096	9.4
170.99635	39.2
173.01231	2.5
177.00685	24.4
179.02353	1.7
182.99632	22.3
186.99135	39.5
189.00694	32.4
195.01613	1.6
201.00688	73.0
205.00188	35.1
207.01709	3.3
212.96957	5.8
213.00684	3.3
219.01758	57.7
223.01193	1.8
229.00179	11.8
230.98119	18.9
231.01581	7.1
231.98323	1.3
237.02818	24.8
243.01743	28.8
247.01265	8.5
248.99174	30.8
253.00131	1.7
259.01340	3.2
261.02802	100.0
267.00116	3.0
269.19003	1.5
271.01364	1.3
272.99176	15.8
273.02817	6.7
279.03848	46.7
289.02362	2.7
291.00238	8.3
291.03845	21.8
301.02448	1.6
303.00143	4.6
303.03717	2.7
309.04825	3.0
313.02304	3.0
315.00336	1.7
321.04877	56.7
331.03265	7.3
333.01208	2.9
333.04974	9.2
343.24796	1.3
349.04324	5.5
351.05988	16.5
357.01300	6.6
373.04877	1.8
375.02380	22.6
381.06934	10.5
393.03381	19.8
399.08142	14.0
405.07593	1.5
493.08740	6.2
511.09296	2.8
537.07599	37.2
538.07251	1.8
555.08679	18.2
583.57733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.4
55.01845	0.6
55.05486	0.6
58.06564	2.0
67.05476	0.9
69.03413	2.0
69.07018	1.9
70.26276	0.4
70.26621	0.8
71.04945	1.5
73.02885	0.4
79.05480	0.7
81.03407	5.1
81.07009	1.6
84.08115	0.5
85.02872	2.5
89.26656	0.4
90.54865	0.4
91.05437	1.0
93.07013	1.1
93.91125	0.4
95.04910	1.8
95.05480	0.4
95.08604	1.1
97.02867	1.6
97.10139	0.4
99.04434	4.1
105.03387	8.1
105.04456	0.6
105.06984	1.1
106.03652	0.8
107.08543	0.7
109.02863	4.8
109.06477	0.4
109.10132	1.2
111.11688	0.6
117.06983	0.8
119.08504	0.7
121.02818	2.0
121.06450	0.4
122.09631	0.5
123.11598	0.5
126.02035	0.4
127.03036	0.8
127.03904	15.1
128.04228	0.4
129.06960	0.5
137.21805	0.4
139.11121	0.8
143.08530	0.5
145.04898	1.5
147.04298	0.5
159.08026	0.5
169.04950	0.6
169.08762	0.4
187.05988	1.0
189.16240	0.4
207.17363	0.7
209.04175	4.7
211.05605	0.5
225.18529	0.8
229.07025	1.2
269.06281	100.0
270.06693	1.5
279.02612	1.2
308.02847	12.6
309.03653	17.6
310.04074	0.7
312.19601	0.5
336.19592	0.5
345.04364	1.0
368.22250	0.9
369.22372	0.6
388.24692	0.7
400.24792	3.4
401.25208	0.9
414.23160	0.6
494.25427	1.0
495.08688	1.6
495.25497	0.5
522.28503	1.4
523.28979	1.1
536.26746	0.5
554.32306	2.0
555.11023	89.3
555.25977	3.0
556.11401	3.6
556.28320	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
55.54457	1.2
56.96572	1.4
57.03418	1.5
57.07059	2.4
66.94551	1.5
67.05501	7.0
69.03381	1.6
69.07058	3.6
70.27451	3.6
71.08590	1.8
79.05500	2.1
81.07053	7.5
83.08595	2.0
85.06546	1.6
91.05470	2.3
93.07030	3.1
95.04971	2.7
98.97570	2.0
98.98477	2.6
105.07023	3.9
107.08558	1.7
109.06495	2.1
109.10141	6.8
111.24284	1.3
116.98647	1.8
119.08594	3.0
119.32133	1.4
131.08519	1.7
133.10117	2.9
145.10162	1.8
155.01004	3.7
192.95946	1.4
229.14333	3.2
277.08234	1.5
313.27365	2.1
319.19458	1.9
337.20602	2.1
342.90417	1.4
347.62814	1.7
548.65137	1.7
555.29144	100.0
556.29382	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	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50998	1.0
61.85404	0.8
65.03923	1.1
69.61493	2.7
79.05467	1.1
81.07039	1.0
83.04974	1.7
85.02893	3.3
91.05478	1.4
91.89513	0.9
92.94602	0.8
93.03404	1.7
94.04185	1.8
95.04939	1.1
95.12545	1.0
96.33440	0.8
97.02894	1.4
97.64424	0.9
98.23423	1.6
103.05435	4.7
107.04884	1.0
109.06503	2.7
111.04379	1.3
115.05437	2.4
117.07012	1.6
122.03664	4.8
125.06005	2.3
128.06232	3.3
129.06998	15.9
131.04881	13.6
137.05957	100.0
138.06332	1.2
143.04924	4.6
145.06438	2.3
146.03616	1.6
147.08104	1.0
149.06017	1.7
150.84952	0.9
153.05437	4.7
157.06465	18.6
157.07654	1.5
158.07173	1.4
160.05193	4.1
161.05927	2.3
163.07516	7.6
172.05164	2.8
174.06755	7.3
175.07530	33.6
176.07750	1.2
177.09126	1.9
181.98018	1.0
185.05997	1.8
187.07513	34.2
189.09070	27.9
191.08566	1.4
199.07355	1.2
203.08524	1.4
205.08548	4.9
207.10173	2.7
209.15416	2.4
211.07578	1.1
217.08542	9.3
219.08020	3.3
231.07988	2.6
235.09586	1.0
247.07500	3.0
248.08221	2.0
251.10619	2.6
255.06450	1.2
259.07501	1.7
261.09164	1.9
263.10541	4.4
264.07858	1.1
270.08838	3.6
271.09598	3.3
279.10147	5.7
281.08203	1.2
283.09674	2.8
291.10101	10.1
292.10760	1.0
293.08026	1.1
296.10342	2.1
308.10349	1.1
311.12708	18.8
323.12756	16.3
329.13855	1.9
341.13763	21.3
531.33234	1.0
556.30719	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	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99323	1.1
55.01864	2.0
58.06585	1.5
69.03392	1.6
69.13838	9.1
73.02913	1.5
83.04968	1.7
85.02885	5.9
91.05466	3.0
93.07037	1.2
94.04214	1.7
95.04955	1.6
97.02874	1.6
98.22712	3.2
103.05448	7.0
105.06999	2.4
107.04967	2.4
109.06512	2.1
111.04414	1.7
115.03921	1.3
115.05426	2.9
119.04961	2.5
122.03629	5.1
125.05983	2.5
128.06215	4.1
129.06993	14.7
131.04927	18.9
137.05957	100.0
138.06253	1.5
143.04916	3.1
144.05562	1.6
145.06465	2.4
147.04408	1.7
147.08014	1.8
149.05966	2.0
151.03777	1.7
151.07541	2.4
153.05498	6.6
155.43750	1.2
157.06467	16.5
160.05183	5.4
161.05989	6.0
163.07532	9.8
165.05370	1.6
172.05153	1.9
174.06740	5.3
175.07527	32.2
177.86597	1.2
179.07054	2.3
187.05956	2.1
187.07524	29.2
189.09073	33.3
190.09407	1.8
203.08516	3.0
205.08580	4.8
207.10210	2.9
209.15291	2.3
211.07422	1.5
217.08492	9.1
219.08015	4.7
222.63928	1.1
227.16289	1.4
231.08003	4.0
247.07500	3.3
248.08270	4.4
249.08916	1.4
251.10524	2.2
263.10645	4.7
265.08395	1.6
270.08722	1.8
271.09476	2.8
277.77985	1.3
279.10190	5.9
283.09610	2.5
291.10147	9.9
309.11160	1.7
311.12759	14.7
323.12637	17.7
323.18607	1.4
329.13580	2.0
341.13773	24.3
353.67673	1.2
378.16681	1.2
388.36887	1.3
429.18362	1.2
445.49017	1.4
496.24881	1.3
544.03430	1.3
556.31995	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	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17112	1.1
54.51638	1.2
55.05500	2.9
57.03439	1.4
58.06596	2.7
65.03924	1.3
67.05505	1.2
69.03428	2.6
69.59154	4.1
70.06578	1.7
70.95898	1.1
71.04977	1.3
73.02914	3.0
79.05499	1.7
81.03389	1.3
81.07026	1.4
83.04987	2.8
83.08591	2.1
84.08182	1.2
85.02879	5.3
93.03364	1.2
94.04227	1.8
95.04949	3.4
97.02876	3.1
98.22714	1.7
99.04422	1.3
103.05466	5.6
105.06995	1.8
107.04926	1.4
107.08562	1.7
109.06488	1.7
109.10150	1.7
111.04406	1.4
115.03886	1.5
115.05442	2.6
117.06998	1.5
121.10168	2.1
122.03608	5.4
123.11767	1.2
125.06020	2.7
127.03881	2.2
128.06238	2.5
129.06992	17.6
131.04907	15.6
131.08553	1.9
133.04971	2.0
133.10112	2.2
135.99005	1.0
137.05957	100.0
138.06276	1.3
143.04929	2.9
144.05675	1.6
145.04939	1.4
145.06490	2.2
149.13260	1.4
151.03816	1.3
151.07486	2.1
151.11174	1.9
153.05428	6.7
155.08565	1.1
157.06451	20.2
157.07629	1.2
157.78171	1.1
158.07277	1.1
159.99379	1.0
160.05167	5.0
161.05992	2.6
163.07547	5.0
172.05162	3.6
173.13202	1.4
174.06758	8.3
175.07518	34.4
177.09084	1.4
179.08398	1.1
187.07513	38.8
188.08119	1.2
189.09067	35.6
191.14375	2.0
199.07501	1.2
203.08601	2.6
205.08600	4.8
207.10150	3.9
209.15363	10.0
217.08516	9.8
219.08052	3.9
219.10027	1.8
227.16466	1.3
231.08054	3.5
239.06953	1.8
240.07878	1.2
247.07562	3.4
248.08267	3.3
251.10628	1.6
261.09161	1.6
263.10724	4.1
264.07904	1.2
265.70959	1.3
270.08850	4.9
271.09595	3.9
276.07877	2.9
279.10141	5.7
283.09787	1.8
291.10147	8.7
296.10483	2.5
311.12695	20.1
323.12744	18.4
329.14017	2.3
341.13828	24.3
341.17392	0.9
434.25357	1.8
450.24844	10.3
478.24350	2.8
496.25848	1.4
556.27197	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	556.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21577	0.9
52.03936	0.9
55.01873	1.1
55.05513	1.8
57.03429	1.1
57.31500	0.9
58.06594	1.8
59.69357	0.8
60.17299	0.9
61.02909	1.0
63.84636	1.0
65.03940	1.6
67.05463	0.9
67.51892	0.8
68.03218	0.9
69.03414	2.9
69.14413	4.1
69.14814	2.1
70.06581	1.5
73.02908	1.8
79.05471	1.1
81.03373	0.9
81.07018	1.6
83.04967	1.8
83.08639	1.2
84.08168	0.9
84.15334	0.9
85.02888	7.2
88.60023	0.9
91.05475	2.6
93.03425	1.1
93.07041	1.2
94.04166	1.4
95.04994	1.6
97.02901	3.5
97.10147	0.9
99.04413	0.9
103.05438	6.2
105.07059	1.1
107.04913	0.9
107.08595	1.4
109.06522	2.8
109.10130	1.7
111.04416	1.1
115.03920	0.8
115.05450	2.6
119.04952	1.1
119.08541	1.8
121.10130	2.6
122.03634	5.6
124.76343	1.0
125.05980	2.3
127.03911	1.3
128.06209	5.8
129.06981	18.4
131.04912	13.9
131.08531	1.6
133.04893	1.0
133.10110	2.1
135.11667	1.0
137.05956	100.0
138.06346	1.7
143.04889	3.9
144.05652	1.8
145.04984	1.1
145.06494	1.7
149.06004	1.5
151.07570	1.5
151.11188	2.2
153.05443	6.5
155.06030	1.1
157.06445	17.0
158.07266	1.1
160.05159	4.3
161.05957	3.1
163.07523	5.9
163.14819	1.0
171.62007	1.1
172.05162	3.0
173.05899	1.0
173.13214	1.6
174.06714	7.1
175.07523	35.4
187.07523	34.2
188.08115	1.3
189.09076	32.2
191.08557	2.2
191.14276	1.4
199.07516	1.7
203.08557	2.3
205.08633	4.1
207.10110	2.6
209.15334	8.8
217.08563	8.4
219.08028	3.4
219.10065	1.8
231.08047	2.8
233.09605	1.3
235.09544	1.5
240.07874	1.1
247.07437	2.1
248.08383	2.7
251.10645	1.7
253.08385	1.0
255.06512	1.2
259.07697	1.3
260.08261	1.0
261.09073	1.7
263.10727	4.1
264.07828	1.3
270.08841	4.1
271.09613	3.6
276.07742	1.6
279.10178	4.9
280.10736	1.2
283.09567	4.0
291.10062	8.1
292.10931	1.1
296.10452	1.3
297.11218	1.2
311.12717	17.1
323.12717	15.0
329.13837	2.0
341.13794	21.2
432.23688	1.8
450.24786	4.8
514.14423	1.0
556.27081	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	556.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
56.05018	2.5
57.03426	1.3
58.06595	4.7
61.02902	2.2
67.05495	2.0
68.26101	0.6
69.03414	4.2
71.04987	1.0
72.08135	2.0
73.02901	2.0
81.03407	2.1
82.06576	0.8
84.08137	1.4
85.02891	7.1
87.04456	1.6
89.03587	0.5
91.05466	0.8
96.08115	1.7
97.02885	3.3
99.04393	0.8
105.03391	2.3
105.07005	1.3
108.08122	3.6
114.09142	2.3
117.07005	1.1
122.09657	2.4
127.03889	1.1
128.06192	1.0
129.07022	1.2
131.08560	0.9
133.90634	0.6
134.09706	0.6
137.05933	3.6
140.10721	0.8
141.06932	0.8
143.08589	1.6
155.08519	0.6
157.06429	1.1
166.07777	0.7
167.08565	1.8
171.11597	0.6
174.06982	0.7
175.07588	0.9
176.10735	2.1
179.08475	0.8
181.10059	1.5
187.07570	1.5
189.09122	0.9
193.13339	2.4
195.11649	1.3
197.09705	0.6
197.13231	1.1
199.11102	0.9
205.10178	1.1
207.11728	1.0
209.15228	0.8
223.11121	0.8
225.12680	0.7
234.68784	0.6
237.12631	0.9
251.10443	0.7
253.12302	1.0
314.17313	1.0
326.17554	1.2
328.19122	0.7
330.17044	1.4
341.13620	0.8
344.18515	5.1
346.20197	0.7
358.20129	1.5
360.21835	1.3
376.21115	5.9
378.22903	0.6
394.22278	1.2
395.16104	0.7
538.26404	28.1
539.26825	1.3
554.41522	0.5
556.27411	100.0
557.27826	4.9
558.70935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70589	0.5
56.05020	0.9
57.03431	0.8
58.06575	1.4
59.04996	0.6
60.59549	0.5
67.05496	1.4
68.05013	0.6
69.03397	1.8
69.13078	3.3
70.06590	0.7
71.04961	1.7
73.02903	0.7
75.04466	3.4
79.05470	1.9
80.04995	1.2
81.03394	1.1
81.07030	1.9
84.66002	0.6
85.02894	5.2
85.08416	0.5
87.04443	1.8
91.05449	2.8
93.07024	0.9
94.04121	0.8
94.06541	0.9
95.04939	1.5
97.02876	1.5
97.06515	0.8
98.23449	0.8
99.04455	0.8
103.05437	0.7
105.07006	1.4
107.04951	1.1
109.06478	1.9
111.08087	2.7
112.76102	0.6
115.05381	1.0
117.05752	0.7
117.06955	2.0
118.06468	0.7
119.04924	0.8
120.08123	0.7
121.06490	1.4
123.04399	1.2
124.07558	1.1
128.06163	1.1
129.06973	4.0
130.06468	0.9
131.04869	1.2
131.08545	1.2
132.07994	0.9
133.06442	0.7
135.08011	2.0
135.53604	0.6
137.05959	4.4
141.06918	1.8
142.07681	0.7
143.08508	1.6
144.07994	0.8
145.06418	1.0
147.04375	0.9
147.08055	0.7
149.05933	0.7
151.03870	1.0
153.06931	1.1
155.08505	2.3
157.06450	1.2
158.09624	1.3
159.07938	1.3
161.06004	0.8
163.03842	0.7
163.07440	1.2
165.05586	0.6
165.06940	2.0
166.07767	1.2
167.07164	0.9
167.08525	2.5
168.08049	1.1
169.06425	1.0
170.09598	1.6
171.07994	1.2
171.11642	0.8
173.09612	0.9
175.07451	1.2
178.07701	2.3
179.07095	0.7
179.08510	3.2
181.06418	0.6
181.10092	1.8
182.09602	0.8
184.07422	0.8
185.09602	1.0
189.08922	0.8
190.07745	1.2
191.08598	2.6
192.09253	1.3
193.10016	1.7
194.07300	1.0
194.09570	1.1
195.08038	2.2
197.09570	1.3
198.09091	0.8
202.06041	0.6
202.07730	2.4
203.08527	1.3
205.08708	0.9
205.10104	3.6
205.11728	0.8
206.07306	0.6
206.09485	0.7
207.08011	1.5
207.11740	1.0
208.08904	1.3
208.11099	0.8
209.09523	1.9
209.15340	1.0
210.09343	0.6
215.08522	1.2
217.10078	1.5
218.07137	1.0
218.09604	0.8
219.07942	2.0
220.08755	0.6
220.11020	0.6
221.09621	1.7
221.11766	0.6
222.08957	0.7
223.11156	1.6
224.10664	0.8
225.08989	1.1
227.16327	0.8
233.09505	2.5
235.07448	0.9
235.11089	1.9
237.09100	1.2
239.10516	0.8
243.08060	1.0
244.11142	1.0
244.22650	1.3
245.09540	0.6
247.11230	0.7
248.10532	0.9
251.10582	2.6
256.13260	0.9
261.08972	2.5
262.12177	1.2
262.23587	0.9
263.10565	1.2
265.12164	1.3
279.10052	1.4
280.13232	1.4
283.13049	0.9
290.11752	0.9
293.11609	1.2
294.14853	0.7
296.12595	0.7
308.12756	1.4
311.12567	1.8
322.14313	0.8
340.15393	3.9
344.18369	1.1
354.16891	0.8
358.16370	0.6
372.17917	6.1
376.20667	0.7
394.25772	1.4
404.20670	4.2
424.28268	0.8
432.20087	4.2
436.22968	2.5
464.22745	3.9
496.25333	12.8
507.85294	0.6
538.29742	1.7
556.27197	100.0
557.19269	2.1
557.27423	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	556.2901
Annotation	Tyr Ala Phe Arg
Peak:m/z	Relative Intensity
51.02369	0.3
53.03937	0.6
55.05494	0.4
56.05029	1.3
58.06593	7.1
61.02911	0.4
65.03943	0.3
67.05492	0.9
70.06584	0.3
71.04990	0.8
72.08146	1.3
77.03925	1.0
79.05476	1.5
80.05007	0.8
81.03423	0.6
81.07053	0.7
84.08129	1.2
85.02896	1.3
86.09688	0.4
88.07631	0.5
91.05476	3.7
93.07020	1.9
94.06565	0.8
95.04958	3.9
95.08629	0.4
96.08133	0.8
97.01100	0.3
98.09701	0.6
103.03938	0.3
103.05451	0.7
105.03382	23.1
105.04525	1.2
105.07008	2.1
106.03703	0.4
106.83170	0.3
107.04941	2.2
107.08597	0.4
108.08098	4.8
109.06506	0.7
110.09685	0.4
111.08080	0.5
112.07632	0.4
114.09171	0.6
114.61900	0.3
115.05470	1.1
117.07009	1.9
119.08592	1.1
121.06502	0.6
121.08890	0.9
122.09649	8.6
123.08067	0.4
124.11207	1.4
125.00683	0.3
128.06180	1.4
129.06990	3.7
131.08549	2.5
132.08051	0.3
133.06471	0.7
133.10097	0.6
134.09648	0.4
135.08055	0.7
137.05977	0.8
138.09143	0.4
140.10704	0.7
141.06981	2.1
142.07741	0.6
143.08530	1.7
145.06500	1.1
145.10124	0.6
146.09595	0.4
147.08040	0.5
151.07545	0.4
153.07043	0.9
154.07787	0.6
155.08533	2.5
157.06485	0.5
157.10156	1.0
158.09654	0.3
159.08072	1.1
161.09674	0.4
164.10730	0.3
165.07054	1.7
166.07703	0.6
167.08537	1.9
169.10008	1.3
171.08035	0.7
171.11636	0.3
172.11244	0.4
173.09619	0.5
178.07790	0.8
179.08528	2.1
180.09296	0.4
180.99515	2.6
181.06555	0.4
181.10083	1.4
183.08089	0.7
183.11757	0.8
185.09708	0.5
186.12784	1.1
187.11302	0.4
188.14326	0.3
191.08681	0.7
192.09358	0.9
193.10112	1.7
195.08083	0.3
195.11745	1.4
197.09637	0.4
197.13321	0.6
197.15291	0.3
200.14412	0.5
201.12775	0.3
202.07768	0.4
202.67542	0.3
203.08557	0.9
204.09381	0.4
205.10168	1.1
207.11659	1.5
208.99011	1.1
209.09589	0.5
209.13329	0.5
211.11191	0.6
212.14183	0.3
212.16464	0.3
215.08629	0.4
216.09372	0.3
217.10092	0.4
218.11185	0.5
219.11719	0.8
221.09685	0.3
221.13213	0.8
223.11191	0.8
224.10817	0.3
225.12823	0.5
226.14348	1.7
227.00047	2.0
227.14485	0.3
233.13263	0.9
235.11156	0.5
239.14326	0.4
241.12277	0.4
242.11833	0.4
243.11697	0.5
244.13391	1.2
245.01003	0.3
249.12842	0.7
251.14215	0.5
251.83813	0.3
253.12128	0.5
256.13336	0.3
259.13358	0.3
267.13821	0.4
306.18515	0.8
324.19568	0.5
338.21146	0.5
366.20871	0.7
370.19955	0.5
374.21790	0.5
389.05280	0.9
394.25598	0.3
398.23093	1.9
416.24402	1.9
434.25433	1.1
452.20786	0.3
488.24078	0.6
520.26990	3.8
524.22955	1.3
538.28168	4.3
556.29016	100.0
557.29486	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	556.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01865	0.4
55.05500	0.5
56.05030	2.8
57.00103	0.2
58.06593	11.2
60.82513	0.3
65.03934	0.4
67.05503	1.4
69.03433	0.4
70.06574	0.5
70.14246	0.3
70.14586	0.6
72.08145	1.2
77.03928	0.8
79.05481	2.3
80.05005	1.2
81.07047	1.0
82.06559	0.6
83.04981	0.5
84.08138	2.4
85.02889	0.7
88.07647	0.3
91.05469	3.9
93.03363	0.4
93.07058	0.7
94.06564	1.0
95.04957	3.5
95.08577	0.4
96.08131	0.8
97.02901	0.4
98.09695	1.3
105.03380	17.3
105.04520	1.1
105.07010	2.8
106.03707	0.3
107.04939	11.3
107.05672	0.6
107.08572	0.5
108.08102	6.7
109.06499	0.5
109.10127	0.4
110.09705	1.1
111.04487	0.3
115.03891	0.4
115.05461	0.7
117.07004	2.2
119.04940	0.4
119.08549	1.3
121.02885	1.1
121.06483	0.7
121.08910	0.8
122.09648	4.6
123.04427	0.5
123.10432	0.7
124.11206	2.5
126.09157	0.3
128.06245	1.5
129.06984	2.7
131.08553	2.8
133.06468	0.5
133.10120	1.2
134.09708	0.5
134.19733	0.3
135.04457	0.5
137.05988	0.5
138.09125	0.4
140.10687	0.7
141.06969	1.7
143.08522	2.4
145.06467	0.6
145.10101	1.8
146.09669	0.3
147.08096	0.4
147.10420	0.3
147.11620	0.5
153.06984	0.6
154.07762	0.6
155.08510	1.9
157.06456	0.7
157.10083	1.3
159.08057	0.6
159.11617	0.4
160.11232	0.4
163.07568	0.3
165.07025	0.9
166.07773	0.7
167.08533	1.8
169.06503	0.5
169.10062	1.5
171.08029	0.8
171.11707	0.7
172.11182	0.4
173.09584	0.5
174.12749	0.4
177.05400	0.3
178.07820	0.9
179.08539	1.4
181.06476	0.3
181.10074	1.3
183.08128	0.4
183.11752	0.6
185.09648	0.6
186.12808	0.5
188.14299	0.5
189.15105	0.7
190.15916	0.7
191.08578	0.7
192.09357	0.6
193.10165	1.2
195.07999	0.6
195.11653	1.0
196.11082	0.3
197.09636	0.6
197.13271	0.4
198.12843	0.3
199.07654	0.3
201.09062	0.4
202.07733	0.4
203.08681	0.4
204.09457	0.7
205.10132	1.2
206.10896	0.4
207.11674	1.5
209.09669	0.5
209.13316	0.7
211.14954	0.4
212.14433	0.3
217.10260	0.4
218.11812	0.4
219.11737	0.8
221.09610	0.6
221.13330	0.9
223.11241	0.3
223.14799	0.5
225.12779	0.4
231.12120	0.3
233.13231	0.4
235.11235	0.4
237.12698	0.4
239.14413	0.3
242.11830	0.9
244.13272	0.4
249.09074	0.4
249.12733	0.6
251.14517	0.3
256.13217	0.4
261.12869	0.4
263.14343	0.4
264.17297	0.3
267.13809	0.4
267.86133	0.3
281.15421	0.5
296.19974	0.3
297.56335	0.3
298.18088	0.3
306.18359	0.4
310.18118	0.4
324.19547	2.1
338.17685	0.5
341.73370	0.3
342.20557	1.6
348.21619	0.3
352.19006	0.5
370.20184	2.0
384.21625	1.9
400.22293	0.3
402.22739	3.5
416.14127	0.3
416.24161	0.7
434.25366	4.0
446.22964	1.6
464.24277	3.1
474.12927	0.3
506.25958	1.4
524.26514	15.2
525.26752	1.2
538.27069	0.7
556.29004	100.0
557.29266	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	556.29
Annotation	Beiwudine
Peak:m/z	Relative Intensity
50.82193	0.3
53.03936	0.5
54.40890	0.3
55.01870	0.6
55.05492	0.5
56.05025	1.1
58.06594	8.1
61.02906	0.5
65.34563	0.3
67.05495	1.4
68.05036	0.4
69.03427	0.5
70.06571	0.7
70.33979	0.4
71.04987	1.0
72.08138	2.8
77.03917	0.4
79.05492	1.2
80.04996	0.4
81.03417	0.7
81.07063	1.3
81.53861	0.3
82.06580	0.6
83.04980	0.6
84.08139	2.4
85.02881	2.5
88.07607	1.5
91.05468	3.1
93.07028	1.6
94.06584	0.4
95.04965	2.4
95.08595	0.5
96.08110	1.6
96.18145	0.3
97.02860	0.6
98.09679	1.1
103.05450	0.4
105.03378	9.7
105.04486	0.7
105.07006	1.9
107.04962	1.4
107.08595	0.5
108.08098	4.3
109.06494	0.4
109.08900	0.7
110.09667	3.1
114.09167	1.0
115.05425	0.8
117.06987	2.0
119.04958	0.7
119.08556	0.8
120.08121	0.4
121.02845	0.8
121.06509	1.1
121.08886	0.5
122.09634	3.8
123.04392	0.4
123.08121	0.6
124.07508	0.3
126.09157	1.1
128.06212	0.7
129.07002	3.2
131.04950	0.3
131.08542	2.6
131.61320	0.3
133.10139	0.4
134.09657	0.6
135.08069	0.7
137.05969	2.2
138.09103	2.2
140.10686	14.3
141.06955	1.7
142.07738	0.4
143.08557	2.2
145.06450	0.6
145.10094	0.9
146.09639	0.8
147.08118	0.5
148.11261	0.4
151.07484	0.6
153.07027	0.9
154.07889	0.3
155.08505	2.4
157.09012	0.3
157.10081	1.5
158.09613	0.6
159.08098	0.6
160.11197	0.6
162.12758	0.4
165.06996	1.3
166.04997	2.5
166.07788	0.8
167.08559	1.6
169.06523	0.4
169.10181	1.2
171.08037	0.8
172.11171	0.7
173.09734	0.5
174.12817	1.5
178.07806	0.7
179.08572	2.0
180.09306	0.7
181.06418	0.3
181.10144	1.2
183.01135	1.2
183.08020	0.4
183.11623	0.7
184.11244	0.4
185.09654	0.7
185.11917	0.4
186.12759	1.4
187.13605	0.5
191.08607	0.7
192.09338	0.7
192.13884	0.6
193.10188	1.5
194.10797	0.3
195.08015	0.6
195.11740	0.8
197.00862	1.3
197.09637	0.3
198.07616	1.1
198.12843	0.5
199.11185	0.4
200.14316	3.0
201.15140	1.1
202.07820	0.4
203.08609	0.4
204.09407	0.4
205.10181	0.9
207.11768	1.2
209.13385	0.5
210.12868	0.3
211.11308	0.5
212.14359	0.4
213.12984	0.4
213.15086	0.4
215.08572	0.6
215.16426	0.5
216.14139	0.3
218.11028	0.3
219.08195	0.6
219.11641	0.8
221.09500	0.5
221.13260	1.1
223.11237	0.9
225.12898	0.3
231.11656	0.8
231.16188	0.4
233.13269	0.4
239.14261	0.7
244.05779	0.3
249.12738	0.7
251.14400	0.4
253.15829	0.4
276.17651	0.5
288.05215	0.7
294.18399	0.6
294.51117	0.3
296.16373	0.4
296.20108	0.3
315.61386	0.4
320.20129	0.3
324.19675	1.3
326.21027	2.1
338.21213	0.8
342.20676	0.6
344.04126	0.6
356.22327	1.0
362.05435	0.4
366.20755	0.5
368.22504	0.4
384.21872	1.0
386.23392	1.7
398.23267	2.7
406.08777	0.3
416.24255	9.0
417.24902	0.5
434.21524	0.7
488.24265	2.6
520.26764	4.3
524.22894	0.7
538.27948	2.6
556.29028	100.0
557.20532	0.5
557.29279	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	556.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.2
61.71174	1.6
67.05470	2.9
69.03416	12.2
69.35465	1.7
69.85690	6.4
73.02907	3.8
75.67087	2.1
79.05484	1.7
81.07022	3.6
83.04961	7.0
83.08599	12.0
85.02911	8.4
85.06526	2.0
85.07269	1.9
87.04469	1.8
93.07025	6.9
95.04954	8.9
95.08579	2.6
97.02869	9.7
97.06527	2.2
99.04445	2.5
107.08585	12.4
109.10140	3.6
115.03886	7.3
115.07552	3.1
119.08530	2.3
119.60666	1.8
121.10121	19.9
123.11733	1.7
125.09554	2.4
127.03882	2.9
133.04945	4.7
133.10112	7.0
135.11658	2.1
145.04860	2.3
149.13260	2.8
151.11153	13.7
153.09082	4.6
161.67778	1.7
163.05951	2.5
163.14795	5.8
167.14282	19.1
173.13258	5.8
175.14905	3.1
191.14276	4.6
209.15332	100.0
210.15686	2.0
227.16327	5.7
241.06929	2.6
313.81940	2.1
512.10199	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03347	0.2
53.03902	0.2
55.05472	0.3
56.04977	1.2
58.06541	3.9
59.04956	0.4
60.56252	0.2
67.05444	0.8
69.94693	0.3
69.95026	0.2
70.06576	0.9
71.04983	1.7
72.08151	3.9
75.04469	1.7
79.05489	1.4
80.04940	0.2
81.03358	0.4
81.07015	0.3
82.06525	0.3
84.08073	0.7
85.06462	0.6
88.07571	0.4
91.05466	3.0
93.06960	0.7
94.06531	0.4
95.04950	1.2
96.08084	0.3
97.06465	0.4
98.09634	0.8
102.09167	3.2
103.05401	0.6
105.03384	3.2
105.04456	0.4
105.07012	2.3
106.03603	0.2
107.04893	0.4
108.08109	4.0
109.06433	0.6
110.09624	0.2
114.09151	0.3
115.05370	0.7
117.07017	1.8
119.04861	0.2
119.08469	0.6
120.08022	0.2
120.96018	0.2
121.06502	1.0
121.08816	0.3
122.09657	1.4
123.07983	0.5
124.11137	0.7
128.06210	1.0
128.10643	0.2
128.66647	0.2
129.06998	3.1
131.08562	2.0
132.08003	0.2
133.06403	0.7
134.09604	0.2
135.08006	0.9
136.07454	0.2
136.11188	0.2
137.05934	0.3
137.09579	0.2
138.09108	0.9
140.10655	0.4
141.06976	1.5
142.07675	0.5
143.07504	0.2
143.08528	1.8
144.05606	0.2
145.06400	0.5
145.10049	0.4
146.09550	0.6
147.07967	0.8
148.11140	0.6
149.09528	0.3
152.10608	0.8
153.06891	0.9
154.07686	0.4
154.12256	1.2
155.08542	1.6
157.06403	0.3
157.08847	0.2
157.10056	0.7
158.07219	0.3
158.09567	0.9
159.07990	0.7
160.11139	0.7
161.09572	0.4
161.11903	0.3
162.12752	0.2
163.07480	0.6
164.10545	0.2
165.06995	1.4
165.09042	0.2
165.11404	0.4
166.07690	0.6
166.12201	0.2
167.08527	1.9
168.09251	0.3
169.06419	0.2
169.10110	0.9
171.07985	0.4
172.11198	1.0
173.09546	0.4
174.09018	0.2
174.12738	0.4
175.11208	0.2
175.13560	0.2
176.10628	0.4
177.09081	0.5
178.07677	0.8
178.12234	0.9
179.08514	1.9
180.09213	0.4
181.10094	1.4
183.08011	0.3
183.11639	0.3
184.11130	0.4
185.09534	0.7
186.12695	0.6
187.11134	0.3
188.10670	0.3
190.07709	0.4
190.12198	0.3
191.08542	1.2
192.09227	0.8
193.08710	0.2
193.10121	1.8
195.08159	0.3
195.11609	0.7
196.11188	0.3
197.09506	0.4
198.12749	0.5
199.11247	0.3
200.14192	0.3
202.07709	0.3
202.12119	0.2
203.08510	1.2
203.10211	0.2
204.09271	0.8
205.10114	1.8
206.10956	0.4
207.08003	0.2
207.11729	1.2
209.09587	0.4
209.13283	0.2
210.10434	0.3
210.12680	0.4
211.11319	0.2
213.04942	0.2
215.08496	0.4
216.09311	0.4
216.13835	0.3
217.10010	0.6
218.10896	0.7
219.11644	0.7
221.09503	0.3
221.13316	0.9
222.12643	0.3
223.11060	0.6
224.14279	0.2
225.12709	0.3
228.13698	0.3
229.10101	0.2
231.11627	0.7
233.09604	0.3
233.13177	0.8
234.10275	0.3
235.11098	0.5
236.14299	0.4
237.12724	0.4
239.14127	0.3
245.07454	0.3
245.13206	0.2
248.14432	0.3
249.12633	1.0
250.15866	0.4
251.14316	0.4
252.13889	0.2
253.15878	0.2
254.15303	0.5
256.16809	0.3
262.15875	0.3
263.14227	0.4
268.16818	0.2
272.16223	0.3
278.15671	0.3
278.18976	0.6
280.16986	0.4
281.15369	0.5
282.18375	0.2
284.16321	0.3
292.16986	0.5
294.18463	0.9
296.19846	0.2
298.17691	0.2
302.21118	0.2
306.18613	0.9
310.17984	1.2
310.21149	0.3
312.15875	0.2
312.19412	1.0
313.17920	0.4
320.20444	0.3
324.19522	1.0
326.21094	0.7
328.19073	0.4
338.21085	3.5
340.22653	0.3
342.20618	1.6
342.24344	0.3
344.22205	0.4
356.22168	0.7
370.23709	14.4
371.24072	0.6
374.23199	8.2
402.26337	44.2
403.26709	1.9
414.64014	0.2
434.28970	43.9
435.29330	1.7
492.27335	0.3
524.29944	0.7
556.32629	100.0
557.32904	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.03939	0.9
56.05024	1.0
58.06589	11.7
59.04981	0.5
64.75069	0.5
67.05495	0.6
71.04971	1.3
72.08141	3.6
72.91541	0.4
73.50874	0.5
77.03925	0.8
79.05476	1.1
80.05011	0.6
84.08127	0.9
85.02926	0.8
91.05454	2.3
93.07036	0.8
94.06573	0.7
95.04932	2.5
96.08105	1.0
98.09686	2.0
102.09158	2.6
105.03375	25.1
105.04518	1.3
105.07009	1.6
107.04958	0.7
108.08099	4.3
109.06525	0.6
110.09676	1.1
117.07018	1.3
121.06517	0.6
121.08868	0.7
122.09644	4.2
124.11214	3.1
128.06238	1.3
128.10735	1.1
129.07010	2.4
131.08597	1.1
131.15627	0.5
137.05989	0.8
141.06966	1.5
142.07745	0.6
143.08568	1.0
145.06427	0.7
147.07974	0.5
147.56117	0.4
150.41245	0.5
152.10695	1.4
153.06961	1.1
154.12242	6.3
155.08511	1.2
159.10297	0.6
160.11250	0.7
161.09627	0.7
165.06982	1.3
166.07712	0.6
167.08534	1.5
169.10088	0.6
172.11218	1.2
173.09596	0.9
174.12808	1.3
178.07837	0.6
179.08557	1.7
181.10159	0.9
186.12802	1.6
187.11206	0.5
187.13452	0.7
188.14404	0.5
191.08560	0.6
193.10117	1.2
195.11711	0.9
200.14366	1.1
203.08537	0.6
205.10068	0.9
207.11710	1.3
212.14409	0.6
215.08495	0.5
219.11531	0.7
220.16801	0.6
221.09566	0.6
221.13222	0.8
223.11169	0.6
223.86896	0.5
231.11760	0.8
233.13275	0.6
249.12563	0.9
263.14423	0.6
338.21185	1.9
352.22769	0.6
370.23798	2.3
374.23297	1.0
402.26419	5.2
434.28922	4.3
460.24554	4.2
466.25870	1.2
468.27448	0.8
492.27359	10.8
493.27652	0.8
524.30048	5.7
556.32629	100.0
557.32898	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	556.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.3
58.06586	3.2
67.05467	0.5
70.00149	0.5
70.00467	1.0
70.06577	0.8
71.04984	1.5
72.08138	3.8
75.04461	1.9
79.05473	1.5
84.08133	0.7
88.07615	0.6
90.34159	0.4
91.05476	2.4
93.07030	1.2
95.04955	1.1
96.08116	0.5
102.09145	2.3
105.03378	4.1
105.07023	1.8
108.08110	3.4
109.06537	0.7
115.05433	0.6
117.07005	1.4
118.98922	0.6
119.08617	0.5
121.06483	1.1
122.09686	1.3
128.06146	1.0
128.10837	0.6
129.06964	2.4
131.08595	1.3
135.08041	0.7
138.09117	0.6
139.76599	0.4
141.06995	1.6
143.08557	1.2
147.08066	0.7
148.11183	0.5
153.06985	0.6
154.12180	0.6
155.08559	1.5
158.09554	0.8
159.08041	0.5
165.06985	1.4
167.08575	1.6
171.08031	0.5
172.11263	0.8
176.10619	0.6
178.07797	0.7
179.08548	1.9
181.10104	1.2
184.11195	0.5
185.09578	0.6
186.12781	0.7
187.11217	0.5
191.08588	0.6
192.09282	0.6
193.10132	1.7
203.08675	0.7
204.09331	0.6
205.10139	1.5
207.11671	1.2
215.08545	0.6
217.10179	0.5
219.11674	0.9
221.13440	0.7
223.11270	0.5
236.14299	0.6
249.12650	0.6
281.15228	0.7
284.16357	0.7
292.17075	0.7
294.18506	1.0
306.18576	0.8
310.18112	1.0
324.19464	0.8
326.21130	0.5
338.21204	3.1
342.20709	2.2
370.23715	14.4
371.24200	0.6
372.42398	0.4
374.23120	7.2
402.26306	43.1
403.26654	1.7
404.95816	0.4
434.28931	41.1
435.29364	1.6
556.32629	100.0
557.33008	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18036	2.5
55.01865	7.0
55.05504	27.6
55.27055	3.0
57.03424	13.8
57.07059	4.8
59.04992	5.6
65.03912	3.6
67.05495	100.0
69.07049	14.0
71.04987	4.7
78.15475	3.0
78.68628	2.6
79.05481	35.7
81.03378	3.6
81.07044	43.5
81.17690	2.7
82.07365	5.5
83.04993	6.2
83.08610	21.0
85.02906	4.0
85.06477	3.5
91.05460	31.0
93.07027	32.0
95.04948	47.2
95.08573	24.7
97.06517	5.9
97.10159	11.5
99.04401	3.4
105.07008	25.1
107.04942	11.9
107.08590	24.8
109.06486	9.0
109.10135	71.1
109.10883	4.6
110.06882	2.8
111.04452	6.4
111.08080	9.0
117.06979	9.9
119.08569	28.1
119.12102	2.8
120.11678	3.5
120.71635	2.8
121.06428	4.8
121.10146	13.9
123.08116	3.3
123.11703	3.5
125.09608	9.0
129.06985	4.3
131.08546	15.5
133.10141	15.1
135.08008	5.3
135.11644	8.7
137.09589	5.4
138.33894	2.9
143.08517	3.3
145.10080	14.2
147.07918	3.5
147.11668	6.5
149.09589	22.4
151.11058	2.8
155.10515	3.2
157.10069	5.3
159.11687	9.2
163.11172	18.8
169.10184	4.8
173.11757	23.2
173.64131	3.3
189.11221	6.9
211.13339	3.0
223.13245	20.8
229.14317	77.3
237.55235	3.0
247.20476	3.9
257.18942	8.5
275.20023	50.7
276.20340	4.0
293.21121	19.4
342.19781	2.8
349.23651	12.2
367.24625	13.1
503.33615	14.1
521.34760	39.1
556.33197	14.4
557.34540	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	556.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	28.4
57.03427	34.3
57.07071	47.4
67.05466	15.8
70.06615	16.1
70.78213	15.4
71.08634	41.6
79.05460	23.6
80.26038	16.1
81.07040	23.4
83.08594	18.9
83.15427	15.6
93.06995	19.0
95.08596	41.2
98.22673	24.5
163.11171	36.9
179.35944	15.9
180.11604	14.5
197.21046	17.7
200.25826	18.0
248.37401	17.5
283.15332	78.2
283.26300	29.8
313.27402	100.0
417.87006	17.6
516.45514	20.0
521.38184	53.0
556.52728	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	7.4
54.47068	6.8
55.05502	17.3
57.03431	14.0
57.07067	76.6
57.60770	8.1
66.63969	8.4
67.05497	45.7
69.07055	25.2
70.79171	8.3
70.93832	10.4
71.08626	65.2
71.64415	8.6
77.12699	8.5
79.05474	42.5
81.07030	44.7
83.08607	19.8
85.10167	21.5
91.05464	18.7
93.07027	52.3
95.04953	10.2
95.08597	85.0
97.10149	10.2
105.07017	12.1
107.04929	14.0
107.08578	49.4
109.10122	13.2
117.07001	21.8
119.08552	17.6
121.10138	9.5
135.11667	85.6
145.10120	30.4
150.15027	8.0
163.11172	100.0
181.12268	9.4
207.92159	8.3
227.12733	74.5
283.15369	63.3
283.26343	24.1
300.28796	10.4
313.27267	90.4
316.34576	8.9
327.60223	8.8
409.71252	9.0
521.38397	49.5
556.52997	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98621	0.3
56.96280	0.4
56.96555	6.5
58.74383	0.3
64.07873	0.3
71.95238	0.4
75.38921	0.3
79.05798	0.3
79.80132	0.2
98.97566	67.1
115.85503	0.3
116.98603	41.9
134.99629	13.7
140.00150	0.4
153.00700	1.2
172.94348	2.6
174.33583	0.3
190.95409	3.2
196.32022	0.3
197.95154	0.4
208.96436	1.0
214.95328	2.8
230.98433	0.3
232.96404	7.4
241.94090	0.4
248.94411	0.6
250.97473	3.5
256.96359	15.5
258.99844	0.7
274.97458	100.0
275.97699	1.4
277.00787	1.7
288.92355	0.4
290.49792	0.3
290.95514	0.6
292.98508	57.6
293.98877	1.2
294.98615	0.3
297.99097	1.2
306.93295	0.3
310.99402	0.5
314.95502	0.4
316.00174	0.8
316.98874	0.5
332.96320	0.5
372.94235	0.4
390.95428	0.4
398.97504	2.6
414.95303	26.3
415.95535	0.4
416.98602	6.4
432.96375	34.7
433.96997	0.4
434.99631	1.1
448.94562	0.4
450.91275	0.4
450.97318	5.8
451.69681	0.4
455.97928	1.0
472.94235	1.2
494.67209	0.3
514.95782	0.4
556.96399	8.6
557.96075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56195	2.0
53.03931	4.1
53.67693	2.0
55.05292	2.4
55.05507	25.4
57.03428	7.3
57.07072	3.6
65.03915	2.9
67.05153	3.1
67.05497	41.2
69.07063	20.5
69.20992	6.6
69.21422	7.3
71.04977	3.5
73.51776	1.9
77.03910	2.7
79.05482	38.6
81.03404	5.4
81.07047	47.2
83.04949	4.2
83.08592	11.4
85.06532	3.8
89.06012	7.0
91.05473	40.0
93.07032	42.3
95.04953	8.9
95.08601	29.0
97.06499	3.7
97.10140	4.2
105.04504	2.6
105.07018	39.0
107.04943	6.8
107.08581	17.7
109.06451	2.4
109.10168	12.2
110.03071	2.5
117.06999	17.4
119.08552	30.9
121.06491	3.2
121.10134	15.1
123.08070	4.6
123.11651	2.5
125.09569	2.7
128.06229	3.4
129.06990	22.8
131.08549	30.2
133.10100	15.0
135.07994	3.4
135.11678	9.7
141.06992	10.4
142.07787	5.9
143.08536	27.2
145.06424	2.3
145.10107	26.3
147.11646	16.3
147.18666	2.2
149.09604	3.2
149.13242	6.3
153.06956	2.5
155.08559	20.6
157.10136	20.1
159.11684	20.8
161.13176	10.1
167.08519	8.2
169.10117	22.2
170.10735	2.3
171.11676	26.8
173.13239	15.6
175.14822	4.5
176.14113	2.3
177.12750	2.7
179.08563	2.9
181.10045	13.1
183.11659	16.6
184.25743	2.1
185.13232	14.6
187.11096	3.9
187.14766	6.0
189.12717	4.5
195.11661	9.4
197.13298	10.8
198.40962	2.0
199.14795	7.0
201.16203	2.3
207.11580	6.7
207.13710	5.7
209.13242	9.4
211.14793	10.8
213.16371	9.7
219.17432	2.4
221.13229	3.0
223.14745	7.7
225.16330	4.0
231.17476	2.2
235.14842	3.1
237.16417	3.1
241.19455	7.3
247.17053	2.5
259.20581	11.2
279.15869	3.9
281.17493	9.4
321.21863	2.9
323.23462	3.3
333.24265	4.7
365.24387	2.4
419.33096	3.8
429.31482	8.0
437.33911	8.5
447.32553	21.2
448.32547	2.4
463.85651	2.0
465.33536	23.5
466.33423	2.9
483.34406	16.1
485.34161	2.6
501.35687	3.0
521.36078	8.5
529.38739	7.6
539.37262	100.0
540.37311	9.6
556.53149	4.7
557.38452	52.7
557.52594	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
53.18734	1.9
55.01862	7.3
55.05505	33.8
56.73881	2.0
57.03421	8.5
57.07082	4.9
62.48586	1.8
65.03922	5.5
66.97971	1.9
67.05497	69.4
67.05859	4.1
69.07057	28.6
71.04967	6.0
77.73349	2.2
79.05483	62.4
81.03403	5.8
81.07048	70.7
83.04963	8.0
83.08604	18.6
85.06541	5.1
91.04929	3.9
91.05470	54.5
93.07034	56.3
94.07344	2.2
95.04966	15.8
95.08597	51.2
95.09197	3.2
97.06522	7.5
97.10162	8.2
99.08058	3.0
103.05442	4.0
105.04503	5.4
105.07016	54.9
107.04941	8.0
107.08579	35.4
109.06501	9.1
109.10154	17.1
111.08059	5.2
115.05447	3.9
116.37356	2.0
117.06993	27.5
119.08569	46.8
120.08930	2.3
121.06467	3.6
121.10127	22.5
123.08057	7.3
125.09649	3.9
128.06206	6.8
129.06964	27.5
131.08551	45.1
133.10107	27.4
135.08054	4.6
135.11720	11.3
137.09622	3.5
139.11163	3.0
141.06999	9.8
142.07762	5.9
143.08546	34.1
145.06480	4.3
145.10101	39.4
147.08011	6.1
147.11667	29.6
149.09615	5.2
149.13251	5.1
150.57967	2.7
151.11119	2.8
155.08531	28.3
156.09335	2.9
157.10109	27.1
159.08047	3.5
159.11671	25.3
161.13242	19.4
163.11147	3.0
165.06975	4.2
166.07748	2.8
167.08566	10.2
168.09271	2.7
169.10100	31.4
171.11679	32.8
173.09570	3.7
173.13240	15.1
175.11185	4.7
175.14807	4.3
177.12773	4.0
179.08517	3.2
181.10124	16.0
182.10838	2.1
183.11623	23.3
185.09656	3.0
185.11655	3.3
185.13199	20.7
187.11189	6.6
187.14816	8.2
189.12726	3.4
189.16341	2.3
193.10054	2.9
194.10912	2.5
195.11682	16.4
197.13211	22.3
199.14819	11.1
201.16344	3.8
207.11676	6.0
207.13658	4.7
209.13196	11.1
211.14799	11.4
213.12938	2.1
213.16386	14.9
215.18008	2.4
221.13110	3.6
223.14772	5.2
225.16344	4.2
229.15926	2.9
235.14792	5.2
237.16237	4.5
239.18002	4.3
241.19478	9.8
247.16974	5.2
249.16318	3.5
251.17984	4.6
255.17584	2.2
257.18921	3.5
259.20499	20.5
270.20721	3.0
279.15939	5.1
281.17331	11.6
287.19934	2.8
297.18713	3.5
297.22116	3.1
311.20172	2.6
313.21756	3.0
315.23422	2.7
321.21854	3.8
323.23590	4.9
333.24265	8.0
335.23746	3.6
337.25052	3.6
339.23077	3.1
349.24738	3.4
353.24786	3.0
419.33069	3.0
429.31375	7.6
437.34122	14.0
447.32593	27.9
465.33578	36.3
475.26685	2.4
483.34711	18.3
503.35132	3.4
521.36536	10.9
527.37262	2.9
529.38513	7.4
539.37250	100.0
540.37579	8.3
557.38605	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.3
57.86603	1.9
58.10269	1.6
61.02903	2.0
65.36932	1.8
68.44373	1.8
69.03413	8.7
71.45950	2.1
77.03887	1.9
79.05471	4.7
81.03397	3.0
85.02902	14.1
91.05463	16.0
93.03353	1.8
95.04956	4.6
97.02865	6.3
103.05450	22.9
105.03362	10.1
105.07008	8.1
107.04945	21.1
109.06454	1.9
115.05434	4.8
119.04936	13.6
121.06522	3.8
122.03625	4.9
127.03874	8.8
129.06972	6.6
131.04897	32.2
133.06496	7.6
135.08018	6.6
137.05954	100.0
138.06294	2.4
145.04915	2.1
145.06483	3.2
147.04390	14.4
149.05977	6.2
151.07521	36.3
157.06464	3.7
161.05956	52.7
161.09566	11.5
162.06677	5.2
163.07509	73.6
165.09213	2.2
167.08514	2.2
175.07516	14.5
177.05441	5.2
177.09091	22.8
179.06967	9.5
179.10606	3.3
181.08545	6.2
189.09070	30.2
191.07013	4.3
195.07922	4.1
203.07060	2.6
203.10626	2.2
207.10135	53.7
209.09441	3.0
219.10097	10.5
221.05983	2.9
221.09688	3.1
221.11711	3.6
225.09129	2.6
227.10594	6.2
237.09163	2.2
249.09019	2.2
253.08856	2.6
253.12154	3.7
255.10120	7.3
265.08539	6.0
267.10071	2.6
270.07510	2.5
281.11700	4.7
285.11166	4.7
287.12790	21.1
299.12686	4.6
311.12683	17.2
313.14255	21.8
325.14203	3.4
331.15335	48.9
332.15695	2.3
343.15411	9.7
411.37094	2.0
494.16791	2.7
558.28101	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	5.9
58.87477	2.9
65.36625	2.9
69.03429	6.6
70.06580	6.7
79.05502	5.5
85.02888	8.7
91.05469	22.4
103.05453	11.7
105.03408	4.0
105.07040	9.1
107.04935	34.6
109.06516	5.1
112.07574	3.6
115.05475	4.3
117.06989	3.3
119.04913	17.9
121.06494	10.0
122.03629	6.0
127.03899	5.7
129.07039	9.3
131.04938	20.4
131.08496	3.0
133.06499	9.7
135.08003	8.3
137.05949	90.0
140.07011	4.0
147.04414	10.1
149.05965	16.0
151.07518	46.8
157.06419	5.2
161.05963	100.0
161.09538	19.2
162.06656	5.4
163.07509	44.6
165.09097	4.3
167.08566	3.4
175.07545	12.2
177.05501	3.4
179.06999	6.1
181.08580	9.8
189.09102	58.3
195.08000	5.9
207.08116	5.0
207.10135	88.0
219.10095	6.4
227.10663	14.5
249.09219	3.9
253.08492	3.9
253.12099	3.3
255.10176	11.5
281.11832	6.5
285.11188	10.7
287.12756	29.4
299.67737	3.4
311.12805	12.7
313.14334	39.3
314.27841	3.8
331.15356	70.7
332.15546	4.1
343.15268	3.7
419.91916	3.4
466.24307	8.9
522.09308	3.5
540.30634	3.7
557.31287	8.0
558.29358	62.8
558.40308	5.9
559.21490	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
58.06591	7.2
67.05495	0.4
69.03432	0.5
69.43378	0.9
69.43761	0.7
70.06579	1.0
72.08154	0.7
75.04481	1.1
79.05480	0.9
80.04977	0.4
81.03394	0.5
81.07054	0.4
84.08145	1.1
85.02898	1.8
87.04494	0.4
88.07606	0.5
91.05485	1.0
93.03426	0.4
94.06567	0.3
95.04967	1.1
96.08122	0.7
97.02904	0.6
98.09676	0.4
99.04426	0.4
100.07660	0.3
103.03957	0.7
105.03395	0.4
105.07024	0.8
107.04953	1.3
108.08113	1.9
109.02882	0.8
109.06528	0.6
111.04456	0.7
114.09109	0.3
115.05427	0.9
117.07005	0.9
121.02872	0.9
122.09679	1.4
123.04412	1.0
124.07547	0.5
125.02319	0.7
125.06011	0.9
126.09126	0.4
127.03929	0.8
128.06166	1.8
129.06990	3.7
131.08577	0.9
133.10098	0.4
135.08080	0.6
137.05988	1.4
139.03868	0.6
140.10725	0.6
141.06978	1.9
142.07733	0.3
143.08537	1.4
144.05695	0.4
145.06461	0.6
145.08861	0.4
146.09685	0.6
149.02374	0.5
151.04030	0.4
152.10661	1.8
153.05408	0.7
153.06996	0.4
155.08583	1.4
157.06561	0.9
157.10193	0.4
158.07233	0.7
158.09671	1.2
159.08043	1.5
160.11186	1.0
161.09576	0.6
165.07028	0.9
167.08578	0.8
169.06487	0.8
171.08066	0.8
172.11287	1.0
173.09604	0.9
175.07581	0.5
178.07736	0.7
179.08594	1.2
181.06491	0.4
181.10086	0.7
183.08054	1.0
184.11249	1.4
185.09529	0.6
185.11916	0.5
186.12801	1.3
187.07455	0.6
189.09058	0.6
191.08530	0.8
193.10130	1.2
194.72481	0.4
195.08102	0.7
197.09659	0.4
202.12242	0.5
203.08574	0.8
205.10172	1.0
207.08099	1.0
208.08617	0.4
209.09677	0.6
210.12849	0.4
212.10713	0.6
214.12309	0.4
216.13837	0.4
218.15327	0.3
219.08113	0.7
221.09541	0.9
223.11218	0.5
225.09279	0.4
226.12227	0.6
231.08179	0.5
233.09613	0.4
235.07526	0.4
235.11281	0.4
238.12338	0.4
239.10742	0.5
249.09158	0.7
251.10718	0.4
252.13882	0.5
260.16547	0.6
293.10852	0.4
340.15161	0.4
346.11298	0.3
354.73608	0.4
356.94077	0.4
366.16885	0.4
376.17496	0.8
377.15912	0.4
384.17886	1.0
398.19608	0.4
402.18958	0.9
408.20041	0.4
416.20667	0.6
418.22278	0.6
434.21640	5.3
466.24310	14.5
467.24582	0.5
498.26932	2.1
526.26263	0.8
558.28961	100.0
559.29407	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	558.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02088	0.4
51.50717	0.4
54.39563	0.4
56.05035	1.0
57.03424	0.4
58.06593	9.3
70.06590	0.7
71.04976	0.5
72.08163	0.7
75.04490	1.2
79.05475	0.5
81.07066	0.6
84.08157	0.7
85.02905	1.2
85.06518	0.4
91.05473	1.1
94.06524	0.5
95.04991	0.9
97.02871	0.7
105.07021	2.4
107.04953	0.4
108.08131	1.0
109.06523	0.6
111.08035	0.9
112.07642	0.6
115.05476	0.8
117.07013	0.9
119.04973	0.6
119.08578	0.6
121.06541	0.5
121.07518	0.4
122.09641	1.1
123.04449	0.5
129.06161	0.5
129.07040	1.7
131.04927	0.7
131.08572	1.1
133.02846	0.5
133.06453	0.7
135.04353	0.7
137.06010	1.2
138.09157	1.0
140.10751	0.6
141.07021	1.3
143.08603	0.5
145.06462	1.0
146.09666	0.8
147.04439	0.5
149.06035	0.5
151.03917	0.5
152.10690	1.6
153.05495	0.5
155.08496	0.7
158.09654	0.6
159.08038	1.3
160.11246	1.0
161.05981	0.9
163.03941	0.7
164.10693	0.5
165.06950	0.9
167.08612	1.0
169.06520	0.6
171.08183	0.5
172.11169	0.4
173.06023	0.5
178.07698	0.8
179.08549	1.6
181.06454	0.8
181.10086	0.8
182.07350	0.5
183.08061	0.5
184.11205	0.8
188.10776	0.5
190.12155	0.5
191.08537	0.8
193.10156	1.1
194.07390	0.5
195.07979	0.8
197.06035	0.5
199.13466	0.4
200.10690	0.6
202.07768	0.6
203.08565	1.0
205.10138	1.1
207.08136	1.3
209.09666	1.0
211.07487	0.5
214.12326	0.7
219.08183	0.5
221.09669	1.7
225.08998	0.5
232.13303	2.3
233.09752	0.9
235.07561	0.9
235.11209	0.5
237.09215	1.0
239.10692	0.7
249.09193	1.3
251.10706	0.7
253.08556	1.0
253.12222	0.6
263.10565	0.5
267.10193	0.9
279.10144	0.4
294.14749	0.5
324.15994	0.4
338.82303	0.4
356.18738	0.6
370.16321	0.9
370.20529	0.5
374.19711	0.9
384.17850	0.9
388.21036	2.5
390.19189	0.6
402.19272	0.6
406.22430	1.8
416.20782	0.9
420.23538	1.0
434.21677	2.0
438.24875	6.2
448.23245	4.9
466.24466	4.6
480.25800	0.9
498.26895	23.2
499.27289	1.8
508.25406	0.7
526.26770	0.5
558.29028	100.0
559.21771	1.0
559.29486	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	558.3054
Annotation	Hemsine A
Peak:m/z	Relative Intensity
56.05027	1.6
58.06594	7.1
58.92775	0.4
67.05499	0.7
71.04982	1.4
72.08140	2.1
75.04482	0.7
77.03908	0.5
79.05477	1.3
80.05021	0.5
81.36270	0.5
84.08134	1.3
85.02917	0.4
91.05469	2.9
93.07002	0.5
95.04951	1.4
96.08091	0.6
98.09663	0.7
102.09180	1.8
105.03374	6.3
105.04466	0.6
105.07018	1.9
107.04955	1.8
108.08092	4.8
110.09697	0.5
115.05489	1.3
117.07003	1.6
119.04911	0.7
119.08557	0.7
121.06524	1.7
121.08904	0.6
122.09667	1.8
124.11213	0.7
128.06248	1.1
129.06996	2.4
131.08548	1.2
133.06491	0.8
137.08313	0.7
138.09119	0.5
141.06990	1.3
143.08546	0.9
143.62724	0.4
145.06476	0.9
147.08086	0.5
149.05977	0.9
152.01488	0.5
152.10695	1.1
153.06937	0.5
155.08562	1.8
157.06485	1.0
158.09683	0.5
159.08011	1.1
160.11148	0.8
165.06996	1.0
167.08566	1.6
171.08055	0.7
172.11185	0.7
173.09641	0.6
179.08611	1.6
181.10118	0.5
184.11191	0.6
185.11951	0.5
186.12724	0.9
188.10632	0.8
191.08441	0.9
193.10143	1.2
197.09607	0.7
202.07709	0.5
202.12334	0.6
203.08556	1.2
204.09441	0.5
204.13821	0.5
205.10178	1.1
206.10944	0.7
207.11684	1.0
209.09567	0.8
209.13248	0.7
215.08638	0.5
216.09361	0.7
217.10165	1.1
219.11681	1.9
223.11275	0.8
229.10130	0.6
231.11694	0.9
235.11163	1.0
237.12802	1.0
247.11171	0.8
248.14261	0.5
249.12785	0.5
251.14392	0.6
265.12125	0.7
279.13806	0.5
280.16974	0.6
294.14972	0.5
294.18475	0.7
304.16861	0.6
310.17874	0.5
312.19656	0.6
326.17245	0.5
326.21039	0.6
328.19244	0.7
336.19519	1.1
342.20663	0.7
354.20676	1.4
358.19879	1.1
368.22278	1.2
386.23190	10.7
386.27805	0.9
390.22736	0.9
400.25018	3.0
404.24332	1.8
418.25793	33.7
419.26291	0.7
420.57834	0.5
436.26898	22.4
437.27225	0.8
540.29596	1.6
558.30542	100.0
559.30750	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63508	0.3
56.05032	1.7
58.06592	9.9
59.04987	0.5
67.05490	0.9
69.32875	2.0
71.04984	1.1
72.08144	2.9
77.03923	0.9
79.05488	1.6
80.04997	0.5
81.07085	0.5
84.08150	1.2
85.02901	0.9
86.09701	0.9
88.07587	0.4
91.05462	2.9
93.07058	0.5
95.04948	2.8
98.09721	1.1
102.09200	1.7
105.03380	13.6
105.04498	0.8
105.07056	1.4
107.04938	5.1
107.08596	0.6
108.08103	6.0
110.09626	0.6
110.54864	0.4
115.05449	0.9
117.07045	1.7
119.08598	0.6
122.09700	1.1
124.11195	0.4
128.06226	0.9
128.10670	0.4
129.06990	2.3
131.04959	0.4
131.08569	1.4
133.06508	0.6
140.10712	0.7
141.07034	1.5
142.07753	0.7
143.08543	1.3
145.06465	0.9
145.10094	0.5
146.09677	0.8
147.08081	0.6
148.11200	0.4
151.07510	0.5
152.10626	0.5
154.12263	1.0
155.08562	1.7
157.06462	0.7
158.09647	0.7
159.08067	0.9
160.11276	0.7
165.07072	1.2
166.07771	0.7
167.08569	1.6
171.08025	0.6
172.11142	1.0
176.10675	0.5
179.08598	1.5
180.99585	0.8
181.10135	1.4
183.11697	0.4
185.09584	0.8
186.12802	0.6
188.10727	0.8
193.10138	1.0
195.08095	0.4
199.00697	0.7
202.07814	0.7
202.59576	0.4
203.08638	0.6
204.09203	0.6
205.10165	1.2
207.11726	0.7
209.09599	0.5
211.76418	0.5
216.09108	0.6
216.13782	0.5
217.10147	1.1
219.11734	0.9
221.09705	0.8
221.13297	0.9
222.65822	0.5
223.11244	0.7
231.11650	0.6
233.09633	0.5
235.11263	0.5
237.12735	0.5
249.12743	0.8
265.12234	0.5
268.16837	0.5
304.16870	0.6
308.16678	0.4
310.18411	0.5
322.17969	1.1
342.20593	1.1
344.18558	1.0
344.22150	0.5
354.20676	1.7
364.04745	1.0
372.21555	3.0
376.21225	0.8
386.23193	4.7
404.24268	28.9
405.24677	1.0
436.26849	15.7
436.32590	0.8
437.27533	0.9
476.24368	0.5
490.25989	0.5
508.27072	1.6
526.28229	5.2
558.30591	100.0
559.30994	5.8
582.61859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11726	0.5
54.69247	0.5
55.54991	0.5
56.05030	1.3
58.06593	6.7
59.52644	0.4
67.05504	0.4
69.78987	1.0
69.79348	1.1
71.04977	1.1
72.08141	1.5
74.48914	0.5
79.05499	1.2
84.08135	0.9
91.05488	2.6
94.06540	0.5
95.04973	1.6
98.09670	1.3
102.09180	1.6
104.44816	0.4
105.03384	7.0
105.04491	0.5
105.07059	1.2
107.04951	1.8
108.08098	4.4
115.05443	1.1
117.07011	1.7
121.06485	1.4
122.09651	1.3
124.11238	0.8
126.98981	0.5
128.06201	0.9
128.10718	0.9
129.07014	2.2
131.08603	1.3
133.06511	0.6
135.08041	0.5
136.11179	0.6
137.08366	0.7
140.10733	0.5
141.06956	1.1
143.08568	1.1
145.06543	0.7
147.08018	0.8
150.75543	0.5
152.10681	1.0
154.12326	0.6
155.08533	1.4
160.11249	0.5
161.54788	0.5
165.06970	0.9
167.08571	1.2
171.08051	0.7
172.11140	0.9
176.10614	0.5
178.07809	0.7
179.08485	1.1
181.10141	1.2
185.09576	0.5
188.10875	0.5
190.07651	0.5
191.08604	1.1
193.10100	0.8
195.11699	0.7
197.09593	0.8
202.07823	0.7
202.12366	0.5
203.08539	0.6
204.09338	0.6
205.10147	1.4
207.11708	1.2
215.08705	0.5
216.13826	0.5
217.10106	1.1
219.11678	1.1
221.13200	0.5
223.11104	0.8
225.12839	0.6
231.11685	0.9
235.11153	0.8
237.12781	1.0
238.15889	0.6
247.11095	1.0
265.11945	0.6
280.17059	0.6
308.16534	0.8
326.17642	0.7
342.20502	0.8
354.20914	1.6
358.20074	1.0
368.22336	1.0
386.23206	11.1
390.22772	0.8
400.24973	1.3
404.24469	1.2
418.25821	31.7
419.26129	0.8
436.26907	18.2
526.27844	0.6
540.29535	1.7
558.30566	100.0
559.30804	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	558.306
Annotation	Hemsine A
Peak:m/z	Relative Intensity
53.03933	1.1
55.05512	1.3
56.05024	2.6
57.07064	1.9
58.06596	8.1
59.04998	0.8
61.02917	1.2
67.05494	1.1
69.03436	1.7
69.07059	9.1
69.07398	0.9
69.64610	1.6
69.64995	0.9
71.04981	2.1
71.08621	1.9
73.02959	0.6
73.06554	1.6
75.04462	0.7
79.05484	1.6
81.03411	1.0
81.07078	0.6
84.08143	0.6
85.02890	8.9
89.06023	4.7
91.05456	3.0
93.07038	1.2
94.06566	0.9
95.04955	3.7
96.07011	0.6
96.08172	0.8
97.02882	1.5
97.06512	1.1
98.09698	0.5
98.23416	0.7
99.04448	0.9
102.09195	1.1
105.03380	26.5
105.04456	1.2
105.07026	1.6
106.07323	0.5
107.04952	1.1
108.08090	3.7
109.02946	0.8
109.06549	0.8
110.09702	0.5
111.11704	15.2
115.05466	0.9
117.07026	1.5
119.08552	0.6
121.06483	0.6
122.09700	1.9
123.08091	0.8
124.11244	1.0
127.03922	2.1
128.06241	1.0
129.06985	1.4
129.12752	15.6
131.08574	1.3
137.05972	0.8
139.73672	0.5
140.10718	0.8
141.07001	2.0
143.08565	1.0
145.04996	2.4
145.10144	0.7
152.10712	1.7
153.06975	0.6
154.12279	1.9
155.08598	2.4
165.07021	0.6
167.08577	0.7
169.10132	1.0
171.08017	0.7
172.11259	0.7
173.09682	0.7
179.08530	0.9
181.10117	0.8
191.08546	0.8
192.09361	0.6
193.10107	1.2
195.11717	0.9
199.16942	3.0
200.14374	2.0
204.09435	0.6
205.10184	1.8
217.17918	3.4
219.11723	0.8
233.11662	0.9
247.11147	0.9
278.27704	0.6
326.21069	1.0
329.17444	0.6
337.13208	0.7
354.20700	1.4
358.23868	2.3
376.24893	2.2
386.23483	2.2
400.24765	0.6
418.25797	6.5
436.26883	10.6
436.32581	0.7
462.22131	0.6
508.27078	0.8
526.27942	2.8
540.29553	7.6
541.16089	0.6
558.30591	100.0
559.30945	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	558.3057
Annotation	Hemsine A
Peak:m/z	Relative Intensity
52.57542	0.3
53.03933	0.5
54.67132	0.3
55.01878	0.6
56.04807	0.3
56.05025	1.8
58.06594	13.3
67.05499	0.9
69.67512	0.3
70.06596	0.7
71.05004	1.3
72.08143	2.4
75.04469	0.5
77.03927	0.6
78.76637	0.3
78.91737	0.3
79.05475	2.1
80.03891	0.4
80.05042	0.5
81.03426	0.5
81.07072	0.8
82.06594	0.6
84.08178	1.1
85.02898	0.7
85.06558	0.4
87.04473	0.4
88.07700	0.3
91.05466	4.4
93.07076	1.4
94.06638	0.4
95.04965	3.2
95.05418	0.3
95.44828	0.4
96.08126	0.8
97.06551	0.6
98.09713	1.0
102.41505	0.4
103.05524	0.6
105.03384	15.9
105.04549	0.8
105.07005	3.1
106.03718	0.4
107.04955	2.1
107.08614	0.6
108.08090	5.0
110.09688	0.5
111.04395	0.5
115.05474	0.8
117.07023	3.9
119.04913	0.6
119.08626	1.1
121.06472	1.5
122.09709	1.5
124.07629	0.8
124.11266	1.0
125.06108	0.3
128.06250	1.0
129.06990	3.0
131.04948	0.8
131.08556	2.2
133.06520	0.9
134.09656	0.5
135.10493	0.4
137.08434	0.4
138.09158	0.6
141.07004	2.1
142.07841	0.5
143.08563	2.0
145.06534	1.2
145.10149	0.5
146.09628	0.5
147.08119	1.4
148.11244	0.6
149.06133	0.4
151.07614	0.4
152.10764	0.7
153.07060	0.9
154.07719	0.4
154.12308	0.9
155.08469	2.0
156.95558	0.4
157.06567	0.6
157.10176	0.7
158.09732	1.2
159.08067	0.6
159.10474	0.4
160.11278	0.9
161.09605	0.4
164.10811	0.5
165.06990	1.6
166.07825	0.9
167.07397	0.4
167.08575	2.4
169.10188	1.0
171.08055	0.5
171.11763	0.6
172.11226	0.6
174.09248	0.4
176.10776	1.0
178.07736	1.6
178.12364	0.4
179.07204	0.5
179.08499	2.2
180.09372	0.7
181.06531	0.7
181.10233	1.2
183.08115	0.9
184.11121	0.4
185.09663	0.5
186.12825	0.4
188.10645	1.9
190.12370	0.4
191.08629	1.3
192.09439	0.6
193.10062	2.1
194.10817	0.4
195.08110	1.2
195.11783	1.1
197.09763	0.7
199.07430	0.4
201.09193	0.3
202.07869	0.5
202.12325	0.5
203.08676	0.9
204.09476	1.1
205.10107	2.2
207.08130	1.3
207.11823	1.3
208.09026	0.4
208.53819	0.4
209.09720	1.2
209.13293	0.5
211.07568	0.4
211.11317	0.7
214.98433	0.4
216.09392	0.6
216.14038	0.4
216.62320	0.3
217.10283	1.3
218.10899	0.4
219.08113	0.3
219.11809	1.2
221.09747	0.8
221.13304	0.6
223.11282	1.0
225.09285	0.4
225.62932	0.3
231.11752	0.6
233.09720	0.5
235.11218	0.9
237.09201	0.7
237.12794	0.9
239.10904	0.4
240.13863	0.4
249.12924	1.0
259.93890	0.4
265.12366	0.9
270.15100	0.6
279.13858	0.6
280.17123	0.6
282.14813	0.4
294.18542	0.5
297.15112	0.4
298.18155	0.4
308.16650	0.5
310.18567	0.5
312.16061	0.6
312.19620	0.5
320.51004	0.3
322.18256	1.0
326.17661	0.4
326.21060	0.5
328.19073	0.4
340.19159	0.8
344.18665	1.2
354.20535	2.3
372.21661	9.9
376.21503	0.7
386.23224	3.2
404.24274	31.7
405.24988	1.3
418.25931	0.5
436.17511	1.0
436.26932	24.9
437.27615	1.3
452.20746	0.7
466.22586	0.8
508.23114	2.1
522.25305	0.5
526.24933	2.0
540.26019	1.9
558.30762	100.0
559.31165	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3057
Annotation	Hemsine A
Peak:m/z	Relative Intensity
53.03941	0.9
53.04339	0.3
56.05025	4.0
58.06330	0.6
58.06594	8.1
64.55053	0.4
66.12463	0.3
67.05492	0.7
69.12046	1.3
69.12451	0.9
71.04975	1.0
72.08140	1.0
75.04478	0.4
77.03928	1.3
79.05508	0.6
80.05027	0.7
84.08134	0.5
85.90050	0.3
88.07629	0.6
91.05449	1.1
93.07028	0.4
95.04955	3.4
98.09705	0.6
98.23460	0.6
102.09164	0.8
105.03381	28.3
105.04520	1.3
105.07018	1.1
107.04904	0.5
108.08099	5.0
109.06526	0.6
115.05432	0.5
117.06985	0.9
119.04980	0.5
121.06549	0.4
122.09660	1.8
124.11240	1.6
128.06195	0.8
129.06995	1.6
131.08563	0.9
133.15961	0.3
141.06993	1.4
143.08568	1.4
152.10692	1.2
153.06985	0.7
154.07719	0.5
154.12222	2.1
155.08519	2.0
157.10129	0.7
161.09520	0.4
165.07013	0.8
167.08551	1.2
169.10127	0.8
171.08043	0.5
173.09651	0.5
174.12727	0.4
178.07774	0.7
179.08443	0.5
181.10170	1.0
185.09525	0.7
186.12932	0.4
191.08453	0.8
193.10095	1.0
200.14340	0.5
203.08415	0.8
204.09303	0.5
205.10136	0.6
209.09801	0.4
210.10149	0.4
216.09520	0.4
219.08070	0.4
219.11676	0.8
221.13156	0.4
231.11629	0.6
233.13342	0.6
242.11186	0.4
386.23364	1.0
418.25912	1.2
436.26999	1.4
458.23492	0.4
462.22754	0.8
476.24176	0.7
480.24063	0.8
508.26855	2.4
522.28619	0.5
526.28064	1.0
540.21344	0.8
540.29510	13.7
541.29883	0.7
558.30536	100.0
559.30975	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	558.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	18.0
57.03439	17.4
57.07069	28.0
67.05496	24.4
69.07053	7.4
70.06615	3.0
70.94331	5.1
71.08620	21.7
71.37646	3.7
77.74113	3.0
79.05485	15.2
79.58764	3.2
80.50779	3.1
81.03407	35.7
81.07045	24.5
83.04984	9.7
83.08626	16.9
85.02902	15.4
85.06553	3.2
85.10165	5.3
86.28362	3.1
89.06049	4.2
91.05476	19.0
93.07019	8.4
95.04957	17.2
95.08579	17.7
95.50790	3.0
97.10162	5.2
105.07038	11.9
107.42781	3.5
111.08092	6.7
119.08583	14.4
121.10155	5.0
126.64951	4.0
131.08580	10.1
133.10103	9.7
135.17935	3.9
142.85698	3.5
147.11667	5.5
157.10138	6.4
171.32785	3.4
175.11179	6.0
193.12225	41.2
211.13254	67.8
230.49522	3.6
245.70805	3.4
267.15872	12.6
285.16943	66.1
313.27304	100.0
351.17981	3.6
505.38959	12.5
523.39972	54.6
557.53308	6.7
558.52936	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	558.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	32.8
57.03421	25.8
57.07074	61.6
67.05495	45.1
69.07056	22.9
69.59603	21.9
71.04987	9.9
71.08604	36.0
79.05484	26.7
81.03411	89.4
81.07049	52.2
83.04955	22.9
83.08604	37.6
85.02882	31.2
85.10181	19.2
91.05463	33.4
93.07034	23.3
95.04949	30.9
95.08582	43.1
97.02851	8.3
105.07014	21.6
107.04951	7.4
109.10155	15.5
111.01302	6.9
111.08019	13.6
119.08555	26.2
121.10096	10.8
129.06981	9.4
131.08519	11.1
133.10138	9.7
147.11620	12.6
157.10031	13.9
158.87569	7.8
174.79103	6.5
175.11165	12.8
193.12206	48.6
211.13243	60.5
267.15784	8.4
285.16867	49.4
294.06616	6.4
312.20813	8.0
313.27322	79.5
440.47186	9.0
486.59009	7.6
523.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27054	0.6
52.92712	0.7
69.03407	0.7
85.02887	1.7
91.05476	0.8
98.97575	3.1
99.04406	1.0
103.03923	1.8
106.76059	0.8
109.24738	0.7
110.97584	1.4
116.98609	1.1
127.03920	2.2
128.98625	0.8
137.05981	1.3
138.06306	1.4
144.48315	0.6
145.04893	1.3
158.99561	0.9
161.06035	1.5
163.06050	1.1
163.07419	0.9
170.99641	1.1
189.00763	0.6
189.09119	0.8
190.09479	0.8
202.45499	0.6
207.10146	1.1
219.01630	0.7
231.01828	1.1
243.96632	0.7
249.02858	2.5
291.03708	3.1
353.83612	0.7
360.60257	0.6
559.21429	100.0
559.28210	3.9
560.21820	4.4
571.09729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01852	12.5
55.05505	59.6
57.03422	14.1
57.07076	5.6
59.43593	4.6
67.05498	76.1
68.90382	5.1
69.03429	7.1
69.07074	31.3
71.44301	5.8
79.05480	66.5
81.03396	22.0
81.07042	69.9
83.04967	11.8
83.08591	34.8
91.05463	56.9
93.07029	58.0
95.04948	25.9
95.08598	38.6
97.06516	10.3
97.10183	27.6
105.07018	56.7
107.04928	13.4
107.08606	37.0
109.06487	14.0
109.10130	20.9
111.08087	5.4
117.07011	35.5
119.08559	42.2
119.84854	5.2
121.06445	10.0
121.10133	25.5
123.08090	12.4
123.11657	6.1
125.09633	20.9
127.95169	5.7
128.06171	7.6
129.06975	26.5
131.08566	36.0
133.10138	29.5
135.08017	15.7
135.11664	16.8
137.09575	5.5
141.64113	6.1
142.07721	6.8
143.08566	28.3
145.10112	44.2
147.08096	10.8
147.11639	23.8
149.09607	9.2
149.13278	10.1
149.19853	4.9
155.08604	7.9
157.10078	18.1
159.11684	31.3
159.12805	5.2
161.09590	7.7
161.13257	14.2
163.11162	14.7
169.10115	7.6
171.11661	13.5
173.09596	5.8
173.13249	10.5
175.11139	5.2
183.11646	12.5
185.09552	7.8
185.13297	11.5
189.11220	12.2
197.13214	8.3
199.14760	10.9
225.12938	5.6
227.12709	18.0
241.19543	8.8
257.19107	7.0
259.20517	20.6
267.15796	8.9
273.18436	10.8
275.20004	20.6
277.21576	11.9
283.15280	11.2
287.23370	5.4
291.19507	12.0
297.22147	16.8
315.23169	22.2
333.24112	8.9
421.30930	5.8
431.28983	6.3
449.30374	20.5
467.31323	9.3
485.32294	18.2
523.34186	7.3
541.35175	100.0
559.36871	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	8.6
55.01859	12.7
55.05500	53.7
57.03426	11.2
57.07058	2.0
62.84992	1.5
65.03937	2.3
67.05491	50.2
69.03414	5.5
69.07051	21.1
71.04995	5.7
79.05479	49.6
81.03403	100.0
81.07040	47.7
81.07493	3.3
83.04967	15.0
83.08604	44.5
83.09088	2.8
83.62530	1.4
85.02889	5.2
85.06526	3.5
91.03833	1.4
91.05466	44.9
91.06039	2.3
93.07028	41.4
95.04949	61.6
95.08588	25.1
97.02877	3.6
97.06539	7.3
97.10145	16.0
98.73379	1.4
99.04462	6.9
99.08054	2.0
99.16058	1.6
105.04522	1.7
105.07014	38.3
107.04935	16.5
107.08574	33.0
109.06501	14.0
109.10129	13.9
111.04411	14.0
111.08066	14.3
113.06036	1.6
115.05460	3.9
116.06216	2.1
117.06989	13.7
118.07532	1.8
119.08562	35.1
121.06477	12.9
121.10126	24.7
123.08081	6.6
123.11692	3.8
125.09595	14.6
128.06203	4.2
128.36380	1.7
129.06999	15.1
131.08537	26.8
133.06506	6.6
133.10104	19.5
135.08083	9.3
135.11667	9.1
137.09633	6.9
141.06981	2.7
142.07741	4.4
143.08553	4.8
145.06497	3.8
145.10086	19.2
147.08032	10.8
147.11649	18.0
149.09596	28.9
149.13304	3.2
151.11194	4.9
153.09073	2.7
155.08571	1.7
157.08450	1.4
157.08910	1.8
157.10077	13.2
159.08060	3.4
159.11678	8.3
161.09586	4.3
161.13274	3.0
163.11145	23.6
165.12831	3.8
169.10098	4.2
171.10344	1.6
171.11702	7.1
173.09613	2.5
173.11839	2.7
173.13313	5.0
175.11133	11.5
177.12820	4.9
183.11671	3.4
185.09662	2.4
185.13245	3.1
186.09023	1.9
187.11208	6.5
189.11188	14.2
189.12720	2.0
191.14188	1.8
193.12213	28.8
197.13358	2.8
199.11115	1.5
199.14694	1.8
201.12746	2.9
205.12317	6.7
207.13667	1.7
211.13280	4.0
215.14581	1.8
223.13223	35.5
223.15179	2.4
227.12775	7.0
229.19476	2.5
234.09764	1.7
239.17784	2.2
249.14873	3.5
257.19034	9.4
267.15845	30.0
275.20007	61.0
291.19595	3.8
293.21033	17.5
299.20157	2.1
313.21567	2.2
315.23068	4.6
323.20200	1.8
331.22647	2.8
341.21103	7.3
349.23679	19.7
357.24396	2.5
415.24704	5.1
431.28125	7.2
433.25745	18.0
446.10571	2.0
449.30502	2.4
467.31750	5.5
502.67212	1.9
541.35077	18.2
559.36340	63.2
560.36499	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.05501	29.5
57.03425	11.5
67.05498	98.3
69.07049	14.6
79.05484	97.8
81.03412	6.9
81.07048	78.8
83.04969	11.8
83.08594	7.9
84.75229	4.4
91.05473	72.0
93.07033	100.0
95.04960	29.3
95.08595	48.4
97.06494	4.9
97.10172	5.3
105.07015	43.6
107.08586	38.6
109.10139	21.5
117.07003	15.6
118.41714	4.8
119.08572	33.9
121.10133	16.6
123.08063	6.0
129.06981	11.0
131.08525	9.7
133.10115	16.0
134.51639	4.4
135.11664	11.7
143.08522	8.4
145.10097	18.4
147.11664	37.3
157.10086	5.5
161.09506	4.7
161.13162	11.0
171.11659	27.8
173.13239	6.6
185.13269	7.7
189.12709	9.3
207.13785	11.5
281.17502	23.5
335.25742	31.1
541.38733	53.1
559.40192	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	560.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.03936	1.6
53.31564	0.4
55.01863	0.7
58.06588	3.6
67.05492	0.3
69.03410	0.6
69.53711	0.4
69.54050	1.4
70.06571	0.5
77.03916	2.1
79.05478	1.2
82.06563	2.9
85.02897	2.0
86.06068	0.6
86.09695	0.3
87.04461	0.5
91.05464	1.0
95.04955	8.7
97.02884	0.6
98.06036	1.0
105.03378	61.4
105.04510	3.5
105.07020	0.7
106.03722	0.8
107.04937	1.0
108.08058	0.4
109.06488	0.7
110.05997	0.5
112.07565	0.4
115.05458	0.4
117.07009	0.9
121.06471	0.4
122.06004	0.7
123.04405	0.8
125.02352	1.0
128.02557	0.3
128.06216	0.8
129.06982	1.0
131.04860	0.4
131.08609	0.3
132.08119	0.3
133.06487	0.7
137.05937	0.6
141.06979	0.8
142.08650	0.8
143.08553	0.7
145.06496	0.8
153.06970	0.8
155.08517	0.5
157.06474	0.5
159.04414	0.5
159.07991	0.4
161.06018	0.6
165.06927	0.5
167.08563	0.5
169.06519	0.6
171.08047	0.7
178.07756	0.7
179.08537	0.7
183.08015	0.8
190.08572	0.3
193.10088	0.5
201.09038	0.4
203.08496	0.4
203.67186	0.3
207.08115	0.5
209.09552	0.5
221.09596	0.9
223.07422	0.5
224.10677	0.5
225.09132	0.4
252.54813	0.4
264.14090	0.3
310.13828	0.4
319.88663	0.4
329.53818	0.3
348.17300	0.3
468.20071	0.6
482.21707	0.7
484.19464	1.6
498.21201	4.0
510.21039	1.1
516.22223	6.7
524.22455	0.7
528.22223	0.4
542.23163	1.9
560.24658	100.0
561.25037	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	560.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.8
51.02372	1.0
53.03930	2.7
55.05501	0.9
56.05020	1.5
58.06590	5.4
59.04985	1.9
62.69698	0.7
65.03943	0.9
65.23148	0.6
67.05495	1.6
68.05002	0.8
70.06591	1.1
71.04959	1.2
77.03897	3.4
78.68845	0.7
79.05484	2.3
81.05767	0.6
81.07029	1.2
82.06559	0.7
84.08141	0.9
84.64433	0.6
85.02869	1.5
85.06570	0.8
88.07607	1.4
89.06020	0.9
91.05457	2.3
94.06562	2.9
95.04953	16.8
95.08595	0.8
96.08126	2.5
97.06525	1.2
105.03377	100.0
105.04514	5.2
105.07017	1.4
106.03727	1.5
107.04922	1.3
107.07290	0.7
108.08110	3.6
109.06521	1.8
111.04378	0.6
115.05463	1.2
115.84228	0.6
117.07021	1.7
119.93201	0.7
120.08096	1.4
121.08801	0.8
122.09653	1.5
123.04378	1.9
128.06262	1.6
129.07010	3.4
131.08557	1.4
133.06494	0.7
133.08749	0.7
134.09639	6.0
135.10410	2.6
137.05981	0.7
141.06972	1.6
143.08530	2.2
144.08090	1.2
145.08899	1.0
146.09616	4.2
147.08070	1.2
147.10440	1.0
148.07571	1.3
148.11198	0.8
153.06979	1.9
155.08557	2.6
157.06448	0.8
157.08838	1.0
157.10081	1.2
158.09659	3.4
159.07996	1.4
160.11211	3.0
165.07036	1.1
166.07719	1.4
167.08557	1.9
169.06503	1.1
169.10095	1.2
170.09575	1.4
171.08057	0.9
171.10281	0.9
172.11154	1.5
174.09111	1.1
175.07414	0.7
176.10756	1.4
176.41342	0.9
178.07755	1.2
179.08546	2.7
181.06487	1.0
181.10155	1.8
182.09657	0.8
184.11171	1.5
188.10706	1.0
190.12257	0.7
191.08618	1.4
193.10088	1.8
195.08075	0.7
196.08922	0.7
196.11139	1.3
197.09613	1.9
197.11772	0.6
198.09297	0.8
198.12781	0.9
200.10733	1.0
202.07761	0.6
202.12119	0.6
204.13657	0.8
207.11792	1.0
208.11186	0.9
209.09644	1.4
210.09000	0.8
210.12782	1.9
211.11310	0.8
211.13406	0.7
212.10648	1.4
212.14339	1.8
212.57292	0.7
213.09155	0.7
222.12801	1.8
223.11234	0.8
224.10603	1.2
226.12265	2.1
228.13719	0.7
235.11272	1.0
238.12230	1.4
239.10713	1.0
240.13785	4.3
241.12221	0.9
242.11909	0.9
250.12263	1.3
251.13141	0.6
251.33769	0.7
252.13640	0.9
253.11227	0.7
254.11722	1.0
254.15332	0.9
256.13284	1.4
258.14856	1.0
268.13309	4.9
270.14957	0.7
272.16541	0.8
281.11636	1.9
282.14856	2.4
286.14276	0.8
299.12717	0.7
300.15994	2.3
313.14426	0.9
314.17499	1.0
332.18338	1.0
348.16006	0.9
356.18527	1.1
376.15762	0.9
377.13840	1.0
390.16803	5.6
404.18646	1.0
406.22055	1.8
408.18149	3.1
420.18182	0.8
422.19556	41.2
423.19955	2.0
424.20993	0.8
436.21115	1.0
452.20773	1.3
454.22156	5.8
466.22363	1.2
478.22311	3.0
496.23248	18.2
497.23401	1.0
510.24936	8.0
528.25854	95.5
529.26306	4.5
560.28448	51.5
561.28644	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	560.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.2
51.02370	0.4
52.11761	0.1
53.03929	0.6
55.01866	0.1
55.05481	0.2
56.05030	0.9
58.06332	0.2
58.06598	3.4
59.04999	0.3
67.05495	0.4
68.05029	0.2
69.03401	0.2
70.06580	0.4
71.01344	0.2
71.04990	0.4
72.08141	0.6
72.45267	0.1
74.06071	0.2
75.04474	0.2
77.03922	1.0
79.05486	1.3
80.00101	0.1
80.05018	0.2
81.03410	0.3
81.07038	0.2
82.06568	0.4
83.04970	0.5
84.08128	1.2
85.02909	0.7
86.06077	0.2
86.09676	0.2
88.07631	0.6
91.05459	1.3
93.05779	0.2
93.07044	0.4
94.06553	0.5
95.04960	4.1
96.08144	0.7
97.02887	0.2
97.06507	0.2
98.06062	0.2
98.09694	0.2
100.07571	0.2
103.05446	0.3
105.03384	23.5
105.04401	1.4
105.07008	1.1
106.03721	0.3
107.04942	5.5
107.05672	0.3
108.08101	1.7
109.02858	0.2
109.06512	0.5
109.08871	0.2
109.77457	0.1
110.09686	0.3
111.04421	0.4
111.08109	0.3
112.07608	0.5
112.18322	0.1
115.05430	0.6
117.07026	1.2
119.04902	0.2
119.08560	0.5
120.08093	0.2
121.02858	0.6
121.06483	0.6
121.08873	1.2
122.05998	0.2
122.09666	1.1
123.04442	0.4
123.08116	0.2
124.07559	0.4
126.09074	0.2
128.06203	1.0
128.10719	0.3
129.06996	3.2
130.06430	0.2
130.07870	0.1
131.04955	0.3
131.07278	0.3
131.08557	1.4
132.08078	0.3
133.06477	0.4
133.10204	0.1
134.09656	0.5
135.04442	0.2
135.08032	0.3
136.07555	0.3
138.09132	0.7
140.10713	0.5
141.06966	1.3
142.07838	0.2
143.08549	1.3
144.08090	0.2
145.06490	0.7
145.08858	0.3
145.10098	0.2
146.09636	0.5
147.08049	0.4
147.10477	0.2
148.11176	0.3
150.09116	0.2
151.03960	0.2
152.06157	0.2
152.10704	0.3
153.05528	0.3
153.06978	0.5
154.07611	0.2
155.04933	0.2
155.08549	1.5
156.08066	0.3
157.06491	0.4
157.08894	0.4
157.10159	0.4
158.07352	0.2
158.09633	1.6
159.08017	1.0
159.10454	0.4
160.11212	2.2
161.06041	0.2
161.09653	0.7
162.12849	0.2
163.11151	0.2
164.10686	0.2
165.06995	0.9
166.07770	0.3
167.08527	1.0
169.06503	0.4
169.08849	0.2
169.10123	0.6
170.09674	0.4
171.08043	0.5
172.11183	1.0
173.05978	0.1
173.09634	0.2
173.12048	0.2
174.09120	0.3
174.12854	0.3
175.07648	0.2
176.10710	0.2
178.07745	1.0
179.08534	1.0
180.09277	0.3
181.06470	0.3
181.10124	0.5
182.07332	0.2
182.09573	0.2
182.10277	0.2
182.11758	1.3
183.08078	0.6
183.10371	0.2
184.11220	1.2
185.05995	0.2
185.09599	0.6
185.11984	0.7
186.09167	0.2
186.12743	1.6
187.07658	0.2
187.09875	0.2
188.10690	0.2
190.07744	0.2
191.08560	1.1
192.09317	0.5
193.10118	1.2
195.08086	0.5
195.11725	0.3
196.11234	0.3
197.09604	0.4
198.09177	0.2
198.12801	0.4
199.07530	0.2
200.10701	0.4
201.09045	0.2
202.07819	0.5
202.12196	1.0
203.08527	0.6
204.09367	0.4
204.13837	0.2
205.10120	0.8
207.08115	0.4
207.11696	0.6
208.09206	0.2
208.11278	0.2
209.09552	0.3
210.12708	0.4
211.11154	0.3
212.10672	0.2
213.09027	0.2
214.12267	0.3
215.08656	0.2
216.13792	0.8
217.10152	0.6
218.11925	0.1
218.15443	0.2
219.08057	0.4
219.11740	0.3
220.08873	0.2
221.09598	0.5
221.11638	0.1
222.12698	0.2
223.11179	0.3
224.14215	0.2
226.12187	0.3
227.10579	0.1
228.13919	0.2
229.10086	0.3
229.59212	0.1
232.08887	0.2
233.09531	0.3
234.12791	0.2
235.11185	0.5
237.09206	0.2
237.12779	0.2
239.10712	0.3
240.13794	0.3
242.11743	0.5
244.13268	0.3
245.09645	0.3
247.11269	0.3
249.12793	0.2
250.16043	0.2
251.10606	0.2
252.13759	0.2
253.12228	0.3
256.13300	0.1
263.10715	0.5
264.13815	0.2
265.12149	0.3
266.15454	0.2
267.13794	0.1
270.15137	0.2
272.12851	0.2
281.11713	0.2
282.14859	0.3
290.15665	0.2
294.14902	0.2
295.13229	0.3
296.16476	0.2
306.14908	0.2
308.16348	0.3
310.18109	0.5
312.15851	0.4
320.16452	0.7
326.17532	0.2
330.16946	0.4
332.16452	0.2
338.17572	1.4
341.46063	0.2
344.18518	0.3
352.19107	0.2
356.18509	0.7
370.20053	0.6
374.19659	1.7
376.21365	0.2
378.22833	0.1
388.21057	1.5
402.22968	0.2
406.22202	1.9
420.23755	1.0
434.19775	0.2
438.24771	1.4
442.20401	0.2
452.20413	0.2
460.21277	0.6
478.22360	0.5
492.23703	0.4
496.23145	0.5
510.24802	7.8
511.25043	0.4
528.25842	3.4
528.33319	0.3
542.27393	1.5
560.28467	100.0
561.28864	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
56.05033	3.3
58.06594	8.5
67.05505	0.5
68.27104	0.5
69.23692	2.6
70.06593	0.6
72.08141	3.8
77.03923	1.0
79.05491	1.2
82.06547	0.5
84.08144	0.7
84.87952	0.5
85.02895	1.3
85.40511	0.5
86.09685	1.0
91.05466	2.1
93.07024	0.7
95.04963	4.3
102.09190	0.9
105.03378	25.5
105.04521	1.4
105.07047	1.3
105.22290	0.6
107.04943	1.7
108.08136	2.8
114.09155	0.5
115.05460	0.8
117.07027	1.1
119.08595	0.5
121.06519	0.9
122.09657	1.3
123.04432	0.8
123.06827	0.5
128.06273	0.7
129.07018	2.0
131.08577	1.5
132.08069	0.5
138.09178	0.8
141.07008	1.3
143.08572	1.4
145.06520	0.9
147.08040	0.9
150.09088	0.5
153.06958	0.7
155.08574	1.3
157.10046	0.6
158.09717	0.7
159.08041	0.6
160.11174	0.8
165.06981	1.3
167.07127	0.6
167.08580	1.1
169.10252	0.6
171.07991	0.5
178.07741	0.9
179.08537	1.2
181.10185	1.0
185.09601	0.8
191.08578	0.9
192.09274	0.5
193.10133	1.5
195.11710	0.5
199.07524	0.6
203.08492	0.7
204.09340	0.7
205.10211	1.7
205.12315	0.6
207.11647	1.3
211.11154	0.9
217.10181	1.2
219.11821	0.8
221.09738	1.0
223.11246	0.7
235.11299	0.9
249.12767	0.5
320.16348	0.6
338.17410	0.8
358.20313	0.9
366.04929	0.8
370.20197	0.9
388.21091	2.4
402.22818	4.3
406.22281	1.0
420.23807	6.8
438.24844	9.4
438.30472	0.9
510.24814	1.2
512.26514	0.5
524.28473	0.5
533.92883	0.5
542.27509	12.4
543.27887	0.6
560.28497	100.0
561.28748	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	560.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22909	0.9
55.01866	1.1
55.05496	2.0
57.03429	2.4
67.05499	6.6
69.03407	0.9
69.07056	5.1
73.55318	0.7
78.06512	0.6
79.05487	5.0
81.07046	7.4
83.04971	2.2
83.08592	1.6
85.02886	0.8
91.05473	6.0
93.07033	8.3
95.04957	2.5
95.08578	5.0
97.06465	1.0
98.22577	0.9
104.95657	0.8
105.07008	7.6
107.04948	2.4
107.08572	5.0
109.06512	3.2
109.10128	2.6
117.06986	1.8
119.08577	4.8
121.06460	3.4
121.10120	2.4
123.08040	1.7
129.07056	1.0
131.08574	5.5
133.06464	0.9
133.10123	5.3
135.08026	2.5
135.11661	1.1
137.09615	1.0
143.08583	1.0
144.05685	0.8
145.10097	5.0
147.08002	1.9
147.11673	3.2
149.09607	2.1
149.13214	0.9
151.11157	2.1
159.08070	1.6
159.11690	2.1
161.09602	1.0
161.13248	1.2
163.11159	2.4
173.09615	1.3
173.13239	1.7
175.11176	1.1
187.11241	0.7
187.14867	1.1
191.14281	1.7
207.13762	1.3
218.80486	0.8
219.13805	1.1
247.20496	1.2
257.18936	4.3
258.19113	0.9
275.20010	28.3
293.21057	5.0
349.23685	100.0
350.23840	3.6
367.24756	4.6
425.14301	0.8
504.24823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2409
Annotation	(+)-1,2-Dehydrotelobine
Peak:m/z	Relative Intensity
50.67552	0.6
59.03782	0.5
60.05620	0.6
68.05017	1.6
70.02956	4.5
70.06585	48.8
70.73579	0.8
71.04981	3.3
78.82217	0.4
80.05029	0.6
81.37713	0.5
82.02938	1.8
84.04490	1.5
85.07671	1.3
87.05573	3.8
88.03986	1.9
88.07668	0.5
90.06139	0.5
95.06087	9.2
96.04505	0.8
97.07649	1.7
98.06033	1.0
100.03992	0.8
100.45551	0.7
103.92789	0.5
110.02384	1.0
112.08720	11.5
113.07144	4.0
115.08681	8.1
124.08697	1.0
125.07134	1.6
127.04978	1.3
134.06013	2.2
135.06810	0.9
136.07561	2.9
138.06671	1.2
140.08205	1.7
141.06564	0.6
146.06055	0.6
147.04358	0.7
149.07094	0.8
151.08681	1.3
152.08215	0.6
155.08127	3.1
161.07065	0.7
162.93687	0.5
164.08253	1.2
165.02956	1.5
167.08200	0.6
168.90440	0.5
172.07658	2.0
173.06023	0.5
176.08278	0.8
177.06573	1.0
179.08154	1.8
188.07024	1.7
200.07101	1.5
204.06349	0.7
205.11076	0.6
206.09340	0.7
207.07654	1.9
209.10429	1.0
216.06578	0.6
217.09755	2.4
224.10242	1.0
226.13033	0.9
227.08212	0.6
249.09750	0.9
259.07767	0.6
262.11893	2.3
314.11572	0.7
314.14987	0.9
335.09610	1.1
342.10803	0.7
342.14508	2.0
344.48114	0.5
356.17242	1.3
357.08472	0.6
359.17172	1.7
384.16702	5.9
401.19571	0.7
419.20453	1.5
430.17487	0.7
447.19733	1.3
473.81122	0.6
485.16949	2.2
499.19418	1.5
501.12833	2.1
516.21753	2.2
527.18866	3.9
533.24823	4.0
544.21338	1.9
561.24176	100.0
562.24408	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2513
Annotation	Chloramphenicol palmitate
Peak:m/z	Relative Intensity
56.26919	0.3
58.06592	0.4
65.46699	0.3
69.22920	1.6
70.06591	0.5
72.46699	0.3
86.09725	0.3
109.10122	0.4
123.11742	0.3
133.07585	0.3
137.05963	0.3
139.51875	0.3
141.05334	0.4
168.06534	0.3
203.05295	0.8
245.06213	0.4
275.07486	0.9
333.07837	0.7
335.09424	10.1
335.13229	0.7
371.16797	1.1
411.19885	1.3
429.20721	1.6
503.20956	5.5
504.21164	0.4
543.24023	3.7
561.25098	100.0
562.25439	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2643
Annotation	Apetaline A
Peak:m/z	Relative Intensity
51.02368	1.3
51.60011	0.2
53.03944	2.0
55.01863	0.4
58.06582	0.9
64.56892	0.3
65.03946	0.3
65.56223	0.2
67.05499	0.6
67.11926	0.2
69.03415	0.9
70.06601	0.7
70.71792	0.5
71.04980	0.6
74.06059	0.4
74.29114	0.3
75.84534	0.2
77.03922	2.1
79.05471	2.2
81.03407	1.0
82.06573	3.2
84.08118	0.8
85.02885	3.0
87.04434	0.6
91.05469	1.6
94.06546	2.5
95.04956	9.4
96.08121	1.1
97.02879	1.2
98.06044	0.7
98.10247	0.3
99.04462	0.4
100.07584	0.5
101.23049	0.2
103.03914	0.6
105.03379	67.0
105.04394	4.3
105.07000	0.9
106.03747	0.6
107.04945	0.9
108.08108	0.5
109.06511	1.4
110.06039	0.3
111.04441	0.3
112.07610	0.4
115.03935	0.3
115.05408	0.7
116.62864	0.3
117.07002	1.4
119.04949	0.6
119.08578	0.3
120.08112	0.3
121.06477	0.8
123.04417	0.8
124.07565	1.3
125.02340	1.7
125.05919	0.3
127.03918	0.5
128.06210	0.6
129.06953	1.9
131.04865	0.5
131.08542	0.4
132.08073	0.4
133.02893	0.3
133.06487	0.8
135.04362	0.4
137.05972	0.7
139.03906	0.5
141.06975	0.9
142.07765	0.3
143.08563	0.9
144.05614	0.3
145.04991	0.4
145.06465	2.2
147.08133	0.7
149.05994	0.3
150.09106	0.5
151.03903	0.3
152.06146	0.3
153.05496	0.4
153.06995	1.0
154.07692	0.4
155.08484	1.3
157.06477	0.9
157.10027	0.5
158.09706	0.3
159.08035	0.6
161.05972	0.3
162.09140	0.4
163.05977	0.4
165.05620	0.3
165.06990	1.0
166.07744	0.6
166.85519	0.3
167.08536	1.4
169.06459	0.7
169.10123	0.4
169.82632	0.3
170.09637	0.5
171.08069	0.8
172.11220	0.6
173.09592	0.6
175.07503	0.3
178.07712	0.5
179.08554	1.3
181.06467	0.5
181.10110	0.7
183.08034	1.2
185.05898	0.3
186.09201	0.4
187.07465	0.3
188.10730	0.3
191.08553	0.5
192.09315	0.4
193.10081	0.5
194.07324	0.3
195.08055	0.8
195.11697	0.4
196.11203	0.4
197.09613	0.6
202.07750	0.3
203.08524	0.4
205.10136	0.8
207.07993	0.7
209.09535	0.6
211.11255	0.3
213.09178	0.4
215.08617	0.4
216.13904	0.4
218.07364	0.3
221.09610	0.6
223.07573	0.5
223.11171	0.8
225.09103	0.5
233.09621	1.1
233.32504	0.3
235.11229	0.5
237.09114	0.5
239.10608	0.6
249.08919	0.4
251.10629	0.6
261.09064	0.3
276.13980	0.4
279.10287	0.3
292.81229	0.3
294.14816	0.3
312.15967	0.3
312.65991	0.3
322.14447	0.4
340.15341	0.4
354.17026	0.7
372.18054	0.6
390.18817	0.3
422.21680	0.4
436.40729	0.3
462.19260	0.6
468.20026	0.9
476.20825	0.6
494.21521	2.8
512.22791	2.6
526.24268	5.3
527.24719	0.3
530.23999	0.6
531.96942	0.3
544.25287	9.5
545.25000	0.5
562.26373	100.0
563.26703	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	562.2644
Annotation	Apetaline A
Peak:m/z	Relative Intensity
51.02373	0.6
53.03940	0.7
55.04237	0.4
55.53077	0.4
64.24238	0.4
69.03411	0.6
70.06598	0.9
77.03913	0.5
79.05479	1.0
81.03440	0.5
84.08106	0.5
85.02908	1.6
85.06572	0.6
86.06056	0.7
87.04427	0.6
90.71751	0.5
91.05479	1.4
94.06539	0.7
95.04957	4.4
97.02911	0.6
98.06074	0.5
105.03380	21.4
105.04517	1.3
105.07008	1.1
107.04942	1.0
107.07302	0.6
108.08125	1.4
109.02879	0.8
109.06512	0.9
109.28910	0.4
115.05484	0.6
117.07028	1.3
123.04441	0.8
124.07613	0.6
125.02372	1.6
128.06201	0.8
128.71800	0.4
128.72766	0.4
129.07016	2.0
131.08551	1.0
134.09610	0.4
137.06004	0.5
138.09140	1.6
141.07028	1.2
143.08530	0.9
144.08072	0.6
145.06445	1.0
145.08977	0.5
149.81253	0.5
153.05664	0.6
153.06935	0.9
154.08688	0.6
155.08546	1.4
157.06485	0.6
157.10139	0.5
158.09666	0.7
159.08070	0.5
160.11189	0.7
162.09184	0.5
163.73122	0.4
165.07079	1.3
166.07735	0.6
167.08574	1.0
169.06509	0.6
169.10103	0.9
170.09641	0.7
171.08093	0.9
171.10428	0.7
172.11215	1.3
174.09192	0.5
175.07524	0.6
178.07687	0.5
179.08572	1.9
181.06543	0.6
181.10141	1.1
182.09636	0.5
183.08028	1.0
183.11734	0.5
184.11176	0.7
188.10735	0.7
190.07790	0.7
191.08580	0.7
192.09343	0.4
193.10147	0.7
195.08037	1.0
204.09436	0.5
205.10136	0.6
207.08101	0.5
209.09639	0.9
214.12134	0.4
217.10257	0.6
221.09641	0.5
223.11278	0.7
225.09183	0.6
228.15918	0.6
233.09619	0.9
269.19012	1.0
309.66272	0.5
329.21124	0.6
346.16583	0.5
364.17468	7.5
372.18008	1.5
378.19107	1.8
390.19058	2.1
404.20663	2.9
405.20514	0.5
408.20148	1.9
422.21585	2.2
440.22592	1.4
480.20117	0.6
512.22479	2.4
526.24335	4.5
530.23633	1.8
544.25305	3.7
545.25922	0.5
562.26392	100.0
563.26636	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	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08094	2.3
55.01871	9.1
55.05508	11.9
55.05750	2.4
57.03435	12.3
61.02907	3.2
65.03938	3.3
67.05498	43.4
69.07060	14.2
71.04995	3.8
71.43797	3.0
74.77525	2.7
79.05486	26.2
80.54758	2.8
81.03427	13.2
81.07047	44.0
83.04959	8.9
83.08614	9.4
85.02914	4.2
85.06541	4.6
91.05468	50.0
93.07037	26.5
95.04958	12.4
95.08601	14.5
97.06543	4.8
98.45435	2.8
99.04420	3.7
105.07028	35.3
107.04924	7.3
107.08585	26.5
109.06495	9.4
109.10142	43.0
111.08057	6.3
117.07007	6.4
119.08587	9.9
121.06513	6.7
121.10162	7.2
123.08057	4.1
123.11702	8.6
129.06989	4.8
131.08537	8.4
133.06476	4.4
133.10120	62.0
135.08043	6.0
135.11699	3.6
143.08537	4.2
147.11592	3.4
149.09595	7.9
151.11176	25.6
161.09607	7.1
169.12271	4.4
171.79469	2.6
173.13127	2.8
175.11156	3.6
191.78568	2.6
193.12297	4.4
195.99962	2.8
211.13387	3.6
253.14304	100.0
263.19934	3.1
267.15942	4.1
271.15308	16.2
273.18402	15.8
291.19452	17.8
347.22266	6.8
365.23181	85.7
393.34332	2.8
421.51971	3.0
459.27557	3.4
473.89740	2.7
503.22156	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	563.2095
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
58.06612	0.6
62.89581	0.4
69.33813	2.6
69.34177	1.1
74.40067	0.5
79.05469	0.8
83.01099	1.2
84.01872	1.0
85.02906	0.9
86.06064	0.6
95.01050	3.0
96.01868	1.5
105.03405	1.4
106.03677	0.7
112.01338	2.1
113.02094	3.9
124.95026	0.5
126.02896	0.7
131.04886	0.9
141.38651	0.5
145.02786	0.8
152.03383	1.0
157.04654	1.3
159.04182	0.6
167.03154	1.5
177.05464	1.5
185.04198	8.1
185.05679	1.0
189.05087	1.0
201.03696	2.3
203.05197	3.0
204.07555	4.8
255.28377	0.6
268.38931	0.6
365.12070	1.8
401.15460	0.8
434.28842	0.8
503.17896	1.4
563.20813	100.0
564.21075	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	563.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.8
55.05512	26.8
57.03419	16.9
58.06600	8.8
67.05496	37.5
69.03423	12.5
69.07050	23.8
71.44602	5.5
76.26218	5.4
79.05478	41.5
81.03410	22.2
81.07043	71.2
83.04966	22.7
83.08635	15.5
85.02891	16.2
91.05471	14.1
92.44843	5.0
93.07042	29.4
95.04945	19.2
95.08617	29.7
96.96511	5.4
97.02908	7.4
97.06544	8.6
97.10156	26.3
98.88361	5.3
99.04451	6.8
105.07030	21.7
107.04945	6.6
107.08577	23.9
109.06519	8.9
109.10179	16.3
111.04415	13.3
111.08049	9.9
117.06992	13.4
119.08555	29.2
121.06490	11.0
121.10125	14.7
123.08046	34.9
125.09588	37.5
129.06976	9.0
131.08540	14.8
133.10139	9.0
134.32573	5.9
135.08093	6.4
135.11678	12.9
143.08488	6.3
145.10127	15.5
147.08095	7.8
147.11630	10.4
149.09651	7.0
153.09088	7.8
153.12723	7.6
157.10030	6.5
159.11722	11.9
163.11162	22.9
165.09132	7.9
181.12177	9.7
184.07288	5.7
189.11143	27.6
193.12207	7.5
223.13196	7.5
227.12799	18.4
270.43195	6.2
273.18436	32.4
291.19501	85.9
309.20496	9.0
353.90967	6.4
365.23196	51.8
383.24240	100.0
563.24683	6.5
563.33533	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.4
55.05509	13.2
55.90341	2.2
57.03437	2.8
67.05498	26.6
68.06304	2.3
69.03394	3.0
69.07059	20.3
69.62509	5.9
69.62897	4.2
70.50924	2.1
71.04995	3.4
79.05479	26.3
81.03436	4.6
81.07044	70.9
83.04969	6.3
83.08599	10.9
85.02886	4.4
85.24518	2.0
91.03941	2.2
91.05460	23.3
93.07034	23.4
95.04970	9.6
95.08598	17.7
97.06525	6.3
99.08064	2.7
105.07020	22.8
107.04921	5.9
107.08577	13.9
109.06498	23.7
109.10146	7.2
111.08072	3.4
117.07021	4.7
119.08553	17.0
121.06505	5.5
121.10101	11.8
123.08074	3.3
123.11707	6.9
129.07022	4.0
131.08545	10.2
133.10107	14.9
135.08058	4.5
135.11678	7.0
137.09653	3.4
145.10123	7.6
147.11697	15.6
149.09601	6.8
149.13292	4.2
151.11134	2.7
152.26575	2.3
157.10123	2.5
159.11691	9.6
161.13326	2.5
163.11192	4.4
165.12735	4.5
171.29431	2.4
173.13365	3.0
175.07788	2.6
201.12830	2.7
213.16406	2.5
235.14726	2.7
247.20604	3.6
257.18994	3.1
275.19983	38.6
293.21167	11.0
349.23682	71.9
350.24185	3.8
367.24753	100.0
368.25040	3.8
414.87079	2.3
450.96252	2.7
469.03165	2.4
471.21899	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11762	3.0
55.03117	3.3
55.05499	11.7
61.41275	3.1
67.05495	15.4
69.03418	4.7
69.07063	5.2
73.02889	3.3
79.05482	16.7
80.13144	3.1
81.03425	4.4
81.07078	15.6
83.04944	5.5
83.08618	10.9
85.02898	8.0
91.05476	17.6
93.07034	17.4
95.04961	29.6
95.08609	5.5
97.06494	8.7
97.10131	4.8
97.94672	3.1
105.03385	6.4
105.07041	18.3
107.04939	7.7
107.08580	14.7
109.06509	6.0
109.10151	8.3
110.64213	3.2
111.04420	5.8
117.07027	8.3
119.08567	16.1
121.06509	4.3
121.10142	12.4
123.08088	4.9
125.09590	3.7
125.40816	3.2
129.07010	6.2
131.08559	12.2
133.10092	8.3
135.08040	7.3
145.10120	7.6
147.08025	8.6
147.11647	4.7
149.09648	12.9
153.23573	3.5
159.11646	3.7
163.11255	7.7
189.11308	5.3
223.13251	12.8
257.19128	3.7
275.20105	22.4
293.21094	15.5
328.88586	3.5
329.27197	3.3
349.23907	7.2
367.24774	82.4
412.24579	8.1
430.25839	5.2
444.27411	28.0
462.28455	18.3
516.87372	3.7
564.25769	11.1
564.35382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79910	2.3
53.03932	5.8
55.01863	7.9
55.05498	15.0
57.03425	5.3
58.06590	14.0
61.02906	3.3
65.03926	2.3
67.05492	33.1
69.03407	3.8
69.07053	16.0
69.66782	10.2
71.04977	2.7
76.07322	3.1
79.05481	36.0
81.03405	11.4
81.07044	75.3
83.04979	8.6
83.08597	10.8
85.02894	5.5
91.05465	25.7
93.07031	27.3
95.04947	14.3
95.08588	19.7
97.02868	6.2
97.06512	11.5
97.10158	4.3
99.08112	2.9
105.07005	32.0
107.04942	9.4
107.08580	17.3
109.02847	7.9
109.06499	25.6
109.10146	12.9
111.08111	3.3
117.07005	11.1
119.08549	23.0
121.06481	6.2
121.10109	14.2
123.08055	5.7
123.11699	3.4
124.99993	2.9
127.03883	15.6
129.06885	3.0
131.08568	11.7
133.06561	2.7
133.10103	17.1
135.07988	3.3
135.11676	6.8
137.09599	3.4
143.08559	3.3
145.10081	11.8
147.07973	3.5
147.11650	16.0
149.09587	10.7
149.13251	6.6
155.08519	4.0
157.10120	4.3
159.11633	8.6
163.11107	5.9
164.46437	2.5
165.12708	3.0
169.09966	2.7
173.09573	3.5
173.13239	3.1
175.11183	2.9
177.12776	3.0
183.11742	2.8
225.64879	2.4
227.12798	2.5
235.14775	2.5
247.20491	5.4
257.18896	4.0
267.15894	5.3
275.20016	64.2
293.20984	12.7
348.83270	2.4
349.23642	99.6
350.23828	2.6
367.24744	59.8
419.24292	6.7
437.25418	3.8
546.31427	4.6
564.24121	8.3
564.36041	3.0
565.26080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61374	5.0
54.86202	3.7
55.01871	9.5
55.05500	28.8
57.03428	6.9
57.07048	6.2
58.06589	7.3
67.05497	37.7
69.03419	4.4
69.07055	18.9
69.95298	9.1
69.95647	7.4
74.55183	3.7
79.05488	35.5
81.03391	12.2
81.07046	57.7
83.04969	9.8
83.08604	19.4
85.02880	9.1
91.05470	38.3
93.07040	36.6
95.04948	23.2
95.08604	23.7
97.06508	12.9
97.10140	6.9
105.07030	33.6
107.04932	16.1
107.08580	29.3
109.06495	14.7
109.10152	12.5
111.04429	7.5
111.08088	11.3
117.06992	15.4
117.34317	3.9
119.08554	24.8
121.06474	7.9
121.10126	15.0
123.08013	8.8
125.09669	5.7
127.03847	6.4
131.08531	16.8
133.10127	17.3
135.08018	16.8
135.11679	8.4
136.08386	4.3
137.09578	9.5
141.06926	5.7
143.08495	8.4
145.10109	12.7
147.11667	14.2
149.09587	16.4
151.11201	6.8
153.09048	7.9
157.10150	5.2
163.11159	21.1
172.32178	4.0
175.11285	5.2
184.07304	6.4
189.11136	4.2
189.31346	4.2
193.12277	5.0
204.81064	4.5
211.13368	9.9
212.13586	4.4
229.19424	4.6
239.17987	5.5
257.18915	7.9
274.18549	4.9
275.20081	43.5
290.28174	4.3
291.19312	4.9
293.20984	7.5
349.23779	28.5
367.24701	100.0
482.88718	4.6
546.31787	4.9
564.32813	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.1
55.05496	20.9
57.03426	6.3
67.05511	27.4
69.03412	6.3
69.07054	21.6
75.23145	4.5
77.09840	4.5
77.14725	4.0
79.05491	30.4
79.37796	5.0
79.55618	4.9
80.23466	4.2
81.03397	11.4
81.07060	45.2
83.04967	7.3
83.08618	22.7
85.02890	6.0
91.05486	27.8
92.92794	4.9
93.07043	25.7
93.51466	5.1
94.18010	4.6
95.04974	9.9
95.08585	25.4
97.06502	7.4
97.10139	5.5
98.22591	10.8
98.40629	4.2
105.07011	31.6
107.04916	7.1
107.08559	18.6
109.06470	6.5
109.10151	9.4
111.08026	5.5
117.07012	17.5
119.08558	23.4
121.06487	7.8
121.10111	17.6
123.08038	8.5
125.09633	6.2
131.08527	11.6
133.10114	16.2
134.89777	4.3
135.08018	9.1
135.11688	6.2
137.09637	6.6
145.10075	18.2
147.11649	10.7
149.09576	14.1
160.08374	4.4
161.13446	4.9
163.11176	18.1
187.14734	5.1
203.12692	5.1
211.13087	5.1
239.17834	7.9
253.12047	6.7
257.18994	8.3
275.20035	43.7
282.74277	5.8
284.15717	4.6
293.20853	5.6
299.12714	5.5
322.35187	4.5
349.23642	37.4
356.32471	5.2
367.24786	100.0
393.85495	4.8
529.24255	11.9
564.32245	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	564.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.0
60.09101	0.8
71.44807	0.8
73.02906	1.1
73.06549	2.5
74.47744	0.6
77.98731	0.6
79.44303	0.6
81.88537	0.7
85.02876	1.0
87.04457	11.1
89.06023	100.0
90.06358	0.9
95.04960	1.0
97.02875	1.0
98.68340	0.6
102.00868	0.6
105.03377	1.0
105.07036	0.6
107.07071	1.8
117.09140	0.8
121.06589	0.6
131.07018	3.4
131.56987	0.6
133.08589	57.0
135.21794	0.6
166.04953	3.7
175.09671	2.6
177.11200	20.6
181.74170	0.8
221.13799	4.0
239.15019	1.1
260.62384	0.7
265.16495	1.3
283.17633	0.9
287.05518	1.0
312.55795	0.7
316.07944	3.3
459.27911	0.8
547.33160	4.2
564.26361	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	565.1546
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.72719	0.2
55.04421	0.2
57.03429	3.0
61.02898	0.8
62.40445	0.2
68.99773	0.4
69.03395	0.3
71.04977	0.8
73.02903	7.2
79.05447	0.3
85.02891	1.2
97.02907	0.5
105.03386	0.3
107.04903	0.3
111.00728	0.3
115.03912	0.6
121.02847	1.9
133.02824	0.5
137.02303	0.8
140.02640	0.3
145.02844	0.4
147.04375	0.3
153.01808	2.8
165.01813	1.6
169.28627	0.2
169.69670	0.3
175.03853	0.2
182.18553	0.2
183.02898	0.7
185.05954	0.5
213.05476	1.3
231.06522	0.6
238.61378	0.3
241.05042	0.7
256.07422	0.3
258.05301	0.9
259.05887	0.3
269.04034	0.3
283.05963	2.1
287.05441	100.0
288.05734	2.7
295.06250	0.6
299.05688	0.4
303.05081	0.3
307.05890	0.3
309.07275	0.6
313.07007	1.9
323.09247	0.3
325.07095	0.4
337.07169	1.3
349.06995	0.3
361.07007	0.4
367.08127	0.6
379.07867	0.5
383.07391	0.3
409.09180	0.5
415.10129	0.6
419.09909	0.5
427.10117	0.4
433.11249	4.9
551.80701	0.3
564.31799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1547
Annotation	Neocorymboside
Peak:m/z	Relative Intensity
55.01863	7.0
57.03421	2.8
59.37909	2.0
61.02921	2.3
70.82529	3.3
85.02905	4.8
87.19835	1.8
91.05436	2.1
109.02870	5.0
117.07043	2.2
119.04906	10.0
121.02856	46.2
121.03695	1.7
121.06567	3.1
145.02820	5.4
147.04358	2.2
163.03896	4.2
175.03995	3.5
177.01746	4.6
177.05380	2.1
189.01784	11.8
189.05400	2.4
190.02502	2.4
191.03407	7.5
195.02766	10.0
197.06088	2.2
201.01874	2.8
203.03366	13.8
203.59964	2.9
205.04860	4.5
207.02882	8.0
215.03395	7.5
217.04871	5.5
219.02924	4.2
221.04317	3.4
224.77065	2.1
225.05708	2.6
227.03275	4.2
229.05153	2.3
231.02838	3.0
233.04459	4.2
241.04916	2.6
255.02849	3.6
267.06421	3.7
268.07306	6.0
269.04407	2.4
279.06451	5.7
280.07181	3.0
281.08072	5.5
283.06137	10.4
287.05362	4.1
293.04950	2.4
293.08026	7.5
294.05261	22.0
295.05966	100.0
296.06635	8.3
297.07590	7.8
304.65683	2.2
305.08142	4.3
306.08771	3.6
307.05988	60.0
307.09277	3.2
308.06662	19.9
309.04053	3.9
309.07468	17.6
313.06989	4.9
316.22159	2.1
317.07947	4.4
319.05893	7.1
319.09610	2.7
320.06744	7.6
321.07523	48.0
322.04684	2.3
322.08044	10.6
323.05722	3.0
323.09146	9.0
325.07022	69.9
329.07922	2.6
333.07571	21.7
335.09174	18.9
337.07025	53.9
345.07507	8.4
347.09106	8.0
349.07031	51.6
349.11035	4.9
350.07535	3.4
351.08575	21.9
355.08124	7.2
357.07471	2.9
359.09183	3.4
361.07037	26.0
363.08533	18.7
365.10184	5.5
365.93378	2.4
367.08078	10.1
373.06949	7.3
375.08606	8.9
377.10489	3.2
379.08084	80.7
379.12915	4.4
380.08331	3.5
387.08679	6.0
389.10040	2.9
391.08078	38.0
392.08469	3.4
397.09189	35.3
399.08621	3.5
401.10037	4.1
403.08017	15.7
405.09387	10.0
409.09149	55.6
410.09460	3.1
415.10284	16.7
417.09601	3.4
419.10938	3.2
421.09268	16.5
427.10245	54.3
429.09503	3.1
433.09161	17.3
439.09991	15.0
445.11200	21.8
450.81326	2.6
451.10257	31.1
457.11258	24.1
463.10226	8.7
469.11307	35.3
475.10498	11.2
481.11243	34.3
493.11310	27.9
499.12280	28.4
500.11691	2.2
511.12302	53.1
512.12396	3.8
529.13403	43.0
547.14392	20.3
565.15436	2.7
566.29150	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	565.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03423	3.8
59.37733	2.0
61.02909	4.0
69.14953	3.8
69.15358	8.7
81.03414	3.6
85.02882	7.8
87.74144	1.8
91.05451	2.9
93.03359	2.2
105.03377	2.1
107.04964	1.9
119.04935	11.1
121.02852	42.0
121.06467	5.1
145.02846	7.1
149.06023	1.9
151.03894	2.6
153.05446	6.0
158.03343	2.0
163.03918	2.5
175.03896	2.9
177.01761	4.4
179.03426	4.0
181.04936	3.9
187.03902	2.5
189.01810	8.6
191.03407	4.7
195.02919	5.7
199.03987	2.1
203.03413	12.8
205.04872	2.9
207.02873	13.7
215.03308	6.2
217.04930	5.7
219.02834	7.8
221.04498	3.3
224.93019	1.9
225.03598	1.9
227.03264	4.6
229.04889	3.9
231.02754	2.0
233.04472	5.1
241.04976	2.8
243.02902	4.9
251.61754	2.3
255.02768	3.0
257.04465	2.5
261.03766	2.6
267.06436	3.8
268.07379	4.1
269.04510	2.2
270.05280	2.4
271.05930	2.3
279.06497	7.7
280.07233	2.7
281.08075	7.4
282.72678	2.1
283.05911	6.7
284.06738	3.9
291.06555	4.2
293.08066	8.0
294.05185	22.4
295.05981	97.5
295.09302	3.2
296.06439	6.5
297.04428	2.2
297.07474	12.3
305.07907	4.6
307.05963	67.2
308.06723	20.1
309.07507	19.7
313.06964	5.6
319.05948	8.8
320.06573	7.0
321.07529	38.5
322.08157	13.4
323.05557	4.1
323.09131	7.9
325.07013	84.5
326.07471	2.6
333.07523	21.4
334.08124	3.0
335.05621	3.2
335.09091	14.8
336.06241	4.6
337.07007	69.2
338.07474	2.4
339.08621	5.4
345.07584	5.3
346.08472	3.0
347.09094	11.6
349.06998	42.2
350.07748	3.8
351.04535	2.9
351.08600	32.3
353.06436	2.4
355.07953	14.4
357.07391	3.5
359.08987	2.6
361.06976	19.3
361.40182	2.2
363.08566	9.6
365.10120	8.5
367.08087	13.2
368.82297	2.1
373.07053	6.2
375.08804	13.2
377.10568	2.8
379.08072	100.0
380.08426	3.1
385.07022	3.9
387.08569	6.0
391.08057	30.4
393.09445	2.5
397.09137	61.6
401.09720	2.2
403.08060	23.0
405.09656	5.8
409.09164	44.9
410.09351	4.0
415.10233	18.3
417.09506	2.4
419.11252	4.6
421.09064	23.0
427.10153	32.3
433.09106	21.4
439.10168	20.0
445.11240	33.0
451.10199	32.9
457.11340	43.6
463.10330	6.8
469.11267	46.6
475.10287	15.0
481.11301	31.7
493.11130	29.1
499.12375	22.2
511.05060	3.0
511.12314	37.6
512.12286	2.2
529.13306	37.5
530.13098	3.7
547.14545	20.5
565.17987	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	565.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26460	0.5
62.11835	0.5
65.97026	0.4
79.05484	0.7
88.41064	0.5
93.07016	0.5
93.75219	0.5
95.03716	0.6
110.06048	1.5
123.03160	1.8
151.02657	2.5
166.04973	50.2
169.03690	6.7
186.16164	0.5
191.08580	2.0
192.02933	1.0
194.03209	1.5
195.08026	0.8
198.07578	7.5
207.08046	2.2
208.08781	1.1
209.05557	3.2
209.09628	0.6
213.09070	1.4
218.07263	0.8
219.08011	2.3
220.08797	4.1
221.09575	1.6
223.07518	1.5
223.11136	2.8
224.08292	1.4
225.09012	0.8
233.09593	1.7
234.06746	1.6
235.07440	4.1
236.08287	8.6
237.09090	2.6
238.09790	1.1
239.10699	1.8
240.07875	0.8
247.07512	2.1
248.08144	1.5
249.05357	0.5
249.09120	5.4
250.09943	2.5
251.10640	11.2
252.07751	2.2
253.08504	1.1
254.09329	1.7
255.10104	1.3
257.93420	0.5
261.09149	0.5
262.09793	2.1
263.06992	2.0
263.10605	2.2
264.07825	2.1
264.10660	0.6
265.08600	3.3
266.09262	1.1
267.10126	4.9
277.08505	3.2
277.11044	1.0
278.09424	2.8
279.10117	24.2
280.10614	1.1
281.08096	4.7
281.11688	19.9
282.08749	1.8
282.11865	0.6
283.09668	2.0
283.15088	0.6
292.11014	4.0
293.08035	4.6
293.11655	10.3
294.12460	46.1
295.09619	21.4
295.12659	1.1
296.10175	1.7
297.11179	9.2
298.11871	1.3
304.09659	6.7
306.11111	0.7
307.08270	1.3
308.10098	4.0
309.07541	3.7
310.11960	24.0
311.12460	1.3
320.09201	2.0
322.10715	1.6
323.12717	7.3
324.12894	0.7
325.14313	17.6
326.14655	0.9
326.29358	0.6
335.11447	1.5
336.12381	1.2
337.13007	13.9
337.17020	0.7
338.10144	21.3
338.14139	1.1
339.11810	0.8
350.13806	10.3
352.11664	0.7
353.12540	11.4
368.14868	100.0
369.15192	4.1
501.16406	2.1
533.19226	0.6
565.30048	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	565.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
67.05507	0.7
70.28310	0.7
79.05460	1.0
81.03397	0.5
83.04966	0.4
91.05447	0.5
92.66475	0.3
93.06999	0.5
96.02088	0.9
110.06034	0.7
111.04441	3.9
119.08596	0.5
125.18478	0.3
136.03877	0.4
138.05478	13.6
166.04974	100.0
167.05293	1.5
171.11771	0.4
192.02901	1.0
198.07585	18.1
205.12393	0.4
207.08098	0.5
208.08760	0.5
209.05598	0.4
219.07982	0.8
220.08725	0.9
221.09540	0.7
223.11087	0.5
224.08203	0.4
233.09514	0.5
234.06812	0.5
235.07533	0.8
236.08366	2.1
237.09041	0.6
239.10709	0.5
247.07501	0.4
249.09039	1.3
251.10626	3.0
252.07732	0.4
253.08336	0.5
261.08936	0.5
263.07089	0.5
263.10547	0.6
264.07690	0.5
265.08630	1.1
267.10071	1.1
277.08536	1.0
278.09140	0.6
279.10104	5.1
281.08170	1.1
281.11658	5.7
282.08807	0.5
292.10245	0.5
293.08011	1.0
293.11569	1.6
294.12476	10.5
295.09644	5.8
296.09903	0.4
297.11185	2.3
304.09653	2.1
308.10385	1.2
309.07443	1.3
309.10922	0.4
310.11951	5.9
323.12787	2.5
325.14270	5.0
326.15094	0.4
335.11639	0.4
337.12958	3.7
338.10080	5.0
350.13712	2.9
353.12457	3.2
368.14874	26.2
369.15335	0.7
437.25491	0.4
451.48364	0.4
565.38269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.05501	8.1
57.07069	7.7
67.05499	22.3
69.03439	4.1
69.07053	15.3
69.77917	6.3
69.78252	8.0
79.05474	22.7
81.07063	27.8
83.08630	7.5
91.05460	35.5
93.07033	46.2
95.04955	11.1
95.08589	27.6
105.04492	3.6
105.07014	58.8
107.08591	37.4
109.06533	4.4
109.10132	16.8
111.08102	3.9
115.05455	3.9
115.80678	3.3
117.07017	7.7
119.08557	67.8
121.10125	54.6
123.08058	8.6
123.11681	8.6
128.06177	7.6
129.07007	8.6
130.07805	6.0
131.08553	25.9
133.10094	41.8
135.08063	3.9
135.11691	13.9
136.06203	4.7
137.09630	5.8
137.13235	4.1
141.06998	6.1
142.07747	13.8
143.08533	30.1
144.09338	6.7
145.10107	44.5
147.08040	9.5
147.11731	11.2
149.09557	4.8
151.27431	3.5
152.93555	3.5
155.08565	12.5
156.09354	9.6
157.10107	31.2
159.11627	20.1
161.09628	4.3
161.13222	6.2
163.11214	7.6
165.06964	3.5
165.09122	16.0
167.08536	7.6
167.10661	22.7
168.09286	5.8
169.10133	20.7
170.10928	6.8
171.11656	25.0
173.13243	23.0
175.14795	6.4
179.08566	10.1
181.10068	11.1
182.10831	3.8
183.11639	16.3
185.13197	16.6
187.11197	4.1
187.14838	6.1
189.12685	4.7
193.10049	9.8
194.10924	7.3
195.11665	15.7
197.13252	15.4
199.14790	8.8
203.14311	6.8
206.10892	7.6
207.11699	14.8
207.13730	4.9
208.12430	6.4
209.13277	22.3
211.14655	7.2
220.12399	3.6
221.13232	20.0
221.15378	23.6
223.14761	12.5
231.11612	7.0
232.12428	3.7
233.13284	7.3
233.15363	13.1
234.13925	5.2
235.14832	7.8
237.16301	7.3
239.18011	5.8
245.13153	3.6
246.13989	3.7
247.14693	10.1
251.17967	4.7
253.19519	4.5
256.12512	3.7
259.14688	6.7
260.15723	4.2
261.16330	5.0
265.19556	5.7
271.14960	4.2
273.16193	7.4
275.17831	6.3
277.19418	8.6
282.28021	6.4
287.17999	6.0
305.18985	4.7
310.31021	7.8
329.22540	4.5
331.24289	5.4
357.25754	4.2
371.81036	3.9
473.34027	15.1
547.38953	13.2
565.40405	100.0
575.13916	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	566.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
65.03945	0.7
69.03422	1.2
70.06582	0.5
77.03919	0.3
81.03406	0.8
85.02899	2.7
86.09685	0.4
89.03900	0.3
91.05469	11.7
95.04958	0.3
97.02877	1.4
101.03873	0.3
103.05455	0.5
105.03397	0.4
119.04929	21.0
120.05247	0.3
127.03924	0.6
129.03374	0.4
132.02060	0.5
133.02713	0.3
136.05203	0.3
137.05931	0.7
138.09192	0.3
145.02820	0.4
145.04987	0.6
147.04390	19.9
148.04681	0.4
149.02286	0.6
157.03935	3.0
162.07593	0.4
164.04723	0.6
165.79311	0.3
174.03102	0.3
175.03889	37.2
176.04218	0.7
179.06979	1.8
180.08716	0.5
192.04152	0.5
207.06496	100.0
208.06842	2.4
225.07565	1.8
260.58636	0.2
261.14920	0.3
351.10611	1.0
369.11768	4.5
440.29669	0.3
566.27515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58632	0.4
60.22275	0.4
61.02935	0.4
65.03943	1.0
69.03413	0.7
71.04977	0.4
71.44206	0.4
75.57792	0.4
75.80093	0.4
80.15993	0.4
81.03411	0.9
85.02895	2.9
89.03883	0.6
91.05467	12.0
97.02884	0.9
99.04456	0.4
106.46583	0.4
107.04931	0.5
109.02863	0.6
114.39691	0.5
117.03373	0.4
119.04926	20.7
121.06533	0.8
127.42680	0.4
132.02025	0.8
137.05957	0.4
145.02834	1.0
145.04930	0.8
147.04390	19.5
148.04755	0.5
157.03902	2.7
163.03885	0.7
164.04695	0.5
175.03888	37.7
176.04230	0.7
177.05467	0.6
177.11348	0.4
179.06979	1.8
180.08685	0.5
182.11638	0.4
192.04199	1.0
207.06493	100.0
208.06827	2.2
225.07527	1.3
351.10745	0.6
369.11801	4.2
372.87967	0.5
567.19513	0.4
571.26605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.5
53.03931	2.6
57.03424	2.2
57.14410	0.8
58.06582	4.0
61.02912	1.6
67.05494	1.0
69.03418	10.0
70.06583	1.2
71.04980	1.8
77.03912	2.2
79.05476	3.3
81.03413	13.1
85.02892	17.5
86.09677	1.1
87.04427	1.0
91.05466	5.5
93.07044	6.2
95.04958	10.2
95.08613	0.9
97.02887	9.6
99.04433	1.9
103.03919	0.9
103.05444	4.2
105.03378	92.1
105.04514	4.9
107.04951	5.5
109.02858	8.8
119.04890	0.8
119.08530	1.2
121.06490	100.0
122.06020	13.2
122.06831	1.8
123.04430	9.2
127.03899	10.4
137.05972	1.0
138.08046	1.8
138.09123	35.8
145.02765	0.8
145.04961	5.2
147.04411	2.6
149.09697	0.9
161.09314	0.8
161.13205	1.2
164.07021	1.0
180.10194	2.7
184.50201	0.8
195.06467	1.1
199.05530	0.8
206.04549	1.3
212.04565	0.8
227.03186	0.8
228.10129	5.3
231.06532	2.1
241.04979	0.9
246.11162	2.3
249.07545	13.8
253.08534	1.2
255.06477	18.1
267.08594	12.1
279.06506	2.0
282.13284	1.0
300.05957	1.2
314.07874	0.8
315.08701	7.2
350.13785	2.6
357.09549	1.9
368.14813	5.2
386.16013	7.3
387.10577	1.7
404.16885	11.1
441.11633	1.1
459.12625	3.2
464.98349	0.9
468.16336	1.5
486.17596	2.0
504.18594	7.0
541.00690	1.1
548.21088	5.8
548.28479	1.2
566.21948	14.5
566.29736	5.6
567.22162	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	566.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01622	1.8
55.01867	29.8
55.05496	4.2
67.05482	9.8
68.05010	4.6
69.03424	2.3
69.07056	9.9
70.02930	4.2
70.06579	14.0
70.48639	1.7
71.04984	21.6
79.05484	12.1
80.05013	2.0
81.03432	1.7
81.07055	10.3
82.06580	1.8
84.08118	2.6
86.06052	3.3
89.78970	1.5
91.05448	7.4
93.07029	8.2
94.06582	3.0
95.04964	3.9
95.08586	6.3
96.08126	7.4
97.03815	1.8
97.06510	24.5
98.06067	2.6
98.09676	13.9
105.07015	7.0
105.86324	1.5
106.06554	6.3
107.08574	6.6
108.08106	8.3
109.10120	2.7
112.07587	3.5
117.06926	1.8
119.08557	6.3
120.08096	4.4
121.10101	3.9
122.05997	29.5
124.07571	40.3
129.07030	1.6
131.08551	2.5
133.10135	2.6
134.05949	2.5
134.09634	2.0
136.07556	77.1
140.07050	27.6
145.09953	1.8
145.96460	1.5
147.11661	2.1
148.07552	3.7
148.11208	2.8
149.08392	1.7
150.12746	2.1
152.06926	1.8
153.07848	3.5
157.10120	1.6
159.11583	1.6
173.13248	1.8
176.14304	8.7
180.85065	1.6
185.13309	1.6
194.15404	6.4
204.13789	19.7
222.14859	100.0
223.15071	1.8
240.15977	3.4
519.16351	1.7
527.78802	1.9
530.30029	6.7
548.31293	81.8
549.31958	2.1
566.30560	2.2
566.41266	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	4.4
57.06810	0.4
57.07068	4.2
58.06592	7.7
59.04996	0.5
67.05513	0.4
69.21931	0.3
69.63123	0.8
71.04986	0.6
72.08160	0.9
73.65781	0.3
79.05470	1.4
79.96043	0.2
80.05025	0.3
81.07068	0.4
84.08135	0.5
85.02885	0.3
88.07624	0.4
91.05470	1.5
93.03420	0.4
95.04958	0.5
96.08114	0.4
98.09689	0.4
102.09163	0.8
103.05477	0.5
105.03386	0.6
105.07014	0.4
107.04943	1.1
108.08098	5.2
109.02882	0.7
111.04517	0.4
115.05421	0.4
117.07029	1.4
120.72841	0.3
121.06517	0.5
122.09665	1.2
123.04420	1.1
124.11163	1.3
127.03887	2.0
128.06198	0.7
128.10716	0.3
129.06973	1.5
131.08565	1.0
135.04422	0.4
135.08032	0.3
141.06952	1.4
142.07785	0.3
143.08539	1.3
144.09023	0.3
145.06497	0.6
145.10104	0.3
152.10736	1.0
154.07680	0.4
154.12239	2.5
155.08553	1.1
157.10155	0.8
159.08035	0.6
165.06967	0.8
166.07784	0.4
167.07314	0.3
167.08496	1.4
169.10152	1.0
171.08000	0.5
172.11237	0.4
173.09621	0.4
174.12689	0.3
178.07800	0.7
178.12320	0.5
179.08522	0.6
180.09285	0.4
181.10117	0.7
185.09631	0.4
186.12753	0.7
191.08589	0.5
192.09361	0.4
193.10127	0.5
195.11606	0.3
200.14305	0.4
201.09145	0.4
202.12219	0.3
203.08522	0.6
204.09361	0.3
205.10132	0.4
207.11684	0.5
211.11099	0.3
214.15981	0.3
217.10086	0.5
218.10855	0.6
218.15323	0.4
219.11780	0.5
221.13370	0.4
223.11264	0.3
231.11588	0.5
235.11076	0.3
237.12730	0.4
247.11194	0.3
249.12723	0.6
265.12332	0.3
267.14117	0.3
279.13824	0.4
293.15390	0.3
294.18582	0.3
322.17984	0.6
333.56293	0.3
336.19644	0.4
340.18744	0.3
354.20621	0.6
382.20065	0.7
386.19397	0.5
389.71539	0.3
396.21585	0.4
400.24924	0.6
414.22720	2.4
414.41342	0.3
420.89749	0.3
428.24225	0.5
446.25311	11.8
447.25424	0.7
464.26373	4.0
465.26248	0.3
488.26776	0.4
516.29449	0.9
548.32080	12.9
549.32733	0.9
566.33124	100.0
567.33478	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	566.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.18632	0.4
55.01855	0.9
56.05027	2.8
57.07066	3.5
57.78347	0.5
58.06592	6.6
65.03923	0.5
67.05485	1.0
68.05031	0.9
69.03429	0.6
69.70828	1.6
71.04969	1.0
72.08139	1.9
75.04512	0.6
79.05459	1.6
80.05009	0.8
81.03412	0.6
81.07032	0.8
83.04977	0.5
84.08138	2.4
85.02882	1.1
86.09695	1.0
86.64594	0.5
91.05453	2.2
92.47701	0.5
93.07006	1.0
95.04940	1.1
96.08142	0.8
97.02849	0.5
97.06518	1.0
98.09660	1.1
102.09149	2.4
105.03375	6.5
105.04462	0.6
105.07017	1.3
107.04941	13.7
107.08624	0.8
108.05286	0.7
108.08102	9.6
109.06506	0.7
112.07560	0.6
117.06992	1.9
119.04891	0.5
119.08540	0.9
121.02832	1.8
121.06493	1.3
122.09709	1.2
124.11245	1.2
127.03902	0.9
128.06190	1.2
128.10658	0.6
129.07005	2.2
131.08542	2.8
133.06453	0.9
133.10030	0.6
135.08051	0.6
137.05945	0.7
141.06979	1.0
143.04950	0.5
143.08514	1.2
145.06438	1.2
145.10074	1.6
147.08084	0.8
147.11711	0.6
153.06902	0.5
154.12262	1.6
155.08560	1.1
158.09650	0.8
159.08066	0.6
159.10289	0.5
165.06982	0.9
167.08464	0.9
169.10118	0.7
172.11301	0.6
174.12743	0.9
181.10165	0.6
186.12802	1.1
188.10849	0.6
188.14342	1.3
190.07744	0.7
191.08559	0.8
192.09323	0.6
193.10095	1.1
196.11185	0.8
203.08563	1.0
204.09332	0.9
205.10095	1.2
207.11693	0.6
211.11290	0.5
211.41078	0.5
217.10197	0.8
219.08107	0.5
219.11702	0.7
237.12590	0.5
247.11180	0.9
260.16562	0.5
271.13132	0.7
307.71512	0.5
322.17953	1.1
324.15887	3.1
354.20609	3.7
364.18903	0.7
386.23508	0.6
414.22647	5.0
428.23898	0.6
444.27325	1.7
446.19540	2.6
446.25262	17.9
447.25540	1.1
464.26544	2.8
476.29892	1.0
506.21603	3.3
516.29504	2.1
548.32098	12.4
549.32166	0.9
566.24017	9.7
566.33075	100.0
567.25043	1.2
567.33325	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	566.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.8
56.05035	4.2
57.07072	4.9
58.06594	8.0
67.05493	0.4
68.19798	0.4
69.25574	0.9
69.25959	0.8
71.04994	0.6
72.08152	0.7
79.05485	1.7
80.05025	0.6
82.06570	0.6
83.08600	0.8
84.08129	0.8
91.05482	1.3
98.09677	0.6
98.22646	0.7
100.11240	3.6
100.11756	0.4
102.09172	0.8
105.07066	0.6
107.04932	0.9
108.08109	5.2
109.02885	1.0
109.06533	0.4
111.04461	0.8
117.06987	1.2
122.09634	1.8
123.04408	1.2
124.11214	1.3
124.69629	0.3
127.03913	1.8
127.80487	0.4
128.06213	0.5
129.07016	1.5
131.08565	1.1
140.07065	0.4
140.10735	0.6
141.07007	1.4
143.08569	1.4
149.06032	0.4
152.10690	0.7
153.06967	0.4
154.07797	0.6
154.12247	2.3
155.08572	1.0
157.10080	0.7
161.09700	0.5
165.06976	0.7
167.08594	1.5
167.24542	0.4
169.10144	1.0
171.08026	0.6
171.11716	0.5
173.09659	0.4
179.08533	1.0
181.10146	0.9
182.15459	1.2
186.12814	0.6
191.08632	0.7
192.09529	0.4
193.10077	0.6
195.11740	0.4
198.12721	0.4
200.14333	0.4
203.08644	0.4
204.09412	0.4
205.10095	0.7
207.11703	0.5
209.16527	0.9
210.14934	1.2
217.10065	0.5
218.15416	0.4
219.11723	0.7
221.09637	0.4
265.12222	0.4
382.20044	0.5
400.24799	0.7
414.22678	2.8
446.25299	12.8
447.25851	0.5
453.34595	0.8
464.26410	3.6
488.26794	0.5
502.89758	0.5
516.29425	1.5
536.55969	0.4
548.32147	13.8
549.32562	0.4
557.42621	0.6
566.33148	100.0
566.92688	0.5
567.33417	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	567.2771
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.44327	0.4
62.39845	0.4
70.02226	0.4
79.05503	0.4
81.07065	0.5
91.05484	0.6
96.01887	0.6
98.23475	1.2
135.11598	0.4
154.07169	0.5
175.14658	0.4
185.04173	0.9
201.03558	0.5
203.05246	1.9
220.52068	0.5
259.07831	2.3
275.07480	0.4
331.10025	4.0
331.18637	1.2
364.66110	0.4
373.14691	0.7
387.16418	0.5
387.21371	1.1
401.76697	0.4
405.22321	1.4
455.18802	1.7
469.20410	6.7
470.20300	0.5
488.56912	0.6
549.26648	29.6
550.26733	1.4
567.27618	100.0
568.27850	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	568.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61551	0.2
53.03933	0.6
55.01865	0.3
57.03429	0.2
58.39112	0.2
61.02895	0.2
68.01385	0.5
68.99779	0.4
69.03411	1.0
69.14900	1.0
69.15300	0.4
71.04983	0.3
71.97607	0.2
73.02901	0.3
73.21390	0.2
79.05497	0.3
81.03403	1.7
85.02895	2.6
87.00822	1.3
89.03906	0.5
91.05453	0.7
92.04982	0.3
95.04948	0.4
96.75542	0.2
97.02880	1.0
99.04433	0.5
102.03488	0.3
105.01852	0.4
105.03381	0.3
107.04943	11.2
109.02879	1.4
112.72980	0.2
116.04968	9.1
116.74133	0.2
117.01915	0.2
117.05747	0.5
118.06537	0.5
119.04951	0.2
120.04453	2.4
127.03909	1.6
128.04944	1.1
129.01833	0.2
129.04468	2.4
130.04019	0.3
130.06514	0.3
131.06032	0.6
132.04398	0.3
134.05998	2.3
145.05000	0.4
146.05998	2.3
155.06007	1.2
156.04443	1.5
156.06786	0.9
158.05994	0.2
159.02866	0.5
170.02393	0.2
172.03899	0.4
174.05489	19.9
175.05876	0.3
183.05507	1.8
199.05064	0.9
201.06477	0.3
207.09157	0.3
213.58946	0.2
231.05124	0.3
234.10289	0.4
235.08641	1.1
247.08557	0.3
274.09811	0.4
275.08087	0.3
293.11807	0.2
300.07214	0.2
301.08511	0.2
302.09186	100.0
303.09528	3.5
320.10266	14.7
321.10562	0.6
386.07968	0.2
440.06882	0.2
446.25305	0.4
551.26660	0.2
568.29132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
57.03425	2.6
58.06602	3.4
65.07820	1.7
66.62179	1.7
69.03421	3.8
69.09115	13.1
79.05489	6.3
80.38863	1.7
81.03400	8.0
81.07059	2.4
85.02902	10.2
85.36165	1.5
86.06133	1.7
91.05495	4.7
92.87693	1.7
94.04198	2.3
97.02858	3.5
102.04780	1.6
103.05453	2.5
105.07005	4.4
107.04932	8.1
109.06531	3.0
115.05444	12.3
117.07005	13.5
119.04967	2.3
121.02877	3.2
121.96947	2.4
122.03612	3.9
123.04432	2.0
127.03897	3.8
129.07033	10.0
131.04929	5.6
131.08562	2.5
131.89713	1.7
133.06505	2.4
137.05959	84.6
138.06323	4.5
143.04878	8.6
144.05708	2.6
145.04906	2.5
145.06468	23.2
147.04395	2.1
147.07935	2.6
151.03923	2.9
153.05421	2.8
155.05984	3.9
156.05685	4.3
157.06473	5.6
159.08069	3.5
160.05170	13.5
161.05959	4.9
163.07581	3.3
167.07019	41.0
172.05096	2.8
173.05956	45.5
174.06694	4.0
175.07526	100.0
177.05428	2.4
178.49803	1.8
180.08647	2.0
184.05170	2.1
185.68378	1.7
187.07530	36.6
189.09102	6.5
190.06210	22.3
191.06929	2.9
192.08130	1.9
193.08615	3.1
203.06985	5.7
203.08649	2.0
205.08575	93.1
209.11746	7.7
211.09656	7.8
217.08568	34.9
218.07182	2.4
219.10109	3.5
233.09563	3.0
235.07318	3.4
235.09619	40.2
241.08588	2.8
247.09686	7.6
249.09042	2.3
261.09039	3.8
262.23776	3.3
265.10645	26.6
277.08563	3.9
278.09296	2.1
281.11679	3.4
285.07510	4.3
293.11685	3.3
300.09793	7.7
301.10623	4.8
321.11182	4.8
326.11533	2.4
341.13763	7.1
353.13834	12.4
371.14771	23.9
372.15393	2.2
388.14703	3.0
567.42828	2.4
568.31854	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	568.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
57.03425	2.6
58.06602	3.4
65.07820	1.7
66.62179	1.7
69.03421	3.8
69.09115	13.1
79.05489	6.3
80.38863	1.7
81.03400	8.0
81.07059	2.4
85.02902	10.2
85.36165	1.5
86.06133	1.7
91.05495	4.7
92.87693	1.7
94.04198	2.3
97.02858	3.5
102.04780	1.6
103.05453	2.5
105.07005	4.4
107.04932	8.1
109.06531	3.0
115.05444	12.3
117.07005	13.5
119.04967	2.3
121.02877	3.2
121.96947	2.4
122.03612	3.9
123.04432	2.0
127.03897	3.8
129.07033	10.0
131.04929	5.6
131.08562	2.5
131.89713	1.7
133.06505	2.4
137.05959	84.6
138.06323	4.5
143.04878	8.6
144.05708	2.6
145.04906	2.5
145.06468	23.2
147.04395	2.1
147.07935	2.6
151.03923	2.9
153.05421	2.8
155.05984	3.9
156.05685	4.3
157.06473	5.6
159.08069	3.5
160.05170	13.5
161.05959	4.9
163.07581	3.3
167.07019	41.0
172.05096	2.8
173.05956	45.5
174.06694	4.0
175.07526	100.0
177.05428	2.4
178.49803	1.8
180.08647	2.0
184.05170	2.1
185.68378	1.7
187.07530	36.6
189.09102	6.5
190.06210	22.3
191.06929	2.9
192.08130	1.9
193.08615	3.1
203.06985	5.7
203.08649	2.0
205.08575	93.1
209.11746	7.7
211.09656	7.8
217.08568	34.9
218.07182	2.4
219.10109	3.5
233.09563	3.0
235.07318	3.4
235.09619	40.2
241.08588	2.8
247.09686	7.6
249.09042	2.3
261.09039	3.8
262.23776	3.3
265.10645	26.6
277.08563	3.9
278.09296	2.1
281.11679	3.4
285.07510	4.3
293.11685	3.3
300.09793	7.7
301.10623	4.8
321.11182	4.8
326.11533	2.4
341.13763	7.1
353.13834	12.4
371.14771	23.9
372.15393	2.2
388.14703	3.0
567.42828	2.4
568.31854	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	568.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01850	3.8
55.05499	13.2
57.03415	5.9
57.07059	4.0
58.06569	2.0
58.74668	1.4
61.02901	5.3
61.10775	1.5
62.36202	1.4
67.05490	11.6
69.03416	19.1
69.03797	2.2
69.07065	8.6
70.06578	4.0
70.28925	2.9
71.04963	4.0
73.02892	2.6
79.05469	10.2
81.03394	6.9
81.07043	24.3
81.28425	1.7
83.04603	1.8
83.04975	17.1
83.08599	11.1
85.02887	76.7
85.06533	5.6
87.04446	6.3
89.94958	1.3
91.03946	3.7
91.05450	10.3
93.07023	15.5
95.04935	13.9
95.08566	12.1
96.53651	1.3
97.02866	18.6
97.06500	11.1
99.04426	6.0
99.08081	1.9
105.07001	16.5
107.04961	1.9
107.08575	27.7
109.02870	7.6
109.06496	23.1
109.10134	38.1
111.08047	5.3
115.07542	6.9
117.06987	2.7
119.08542	9.6
121.02816	2.1
121.10117	29.3
123.08056	6.4
123.11685	9.6
125.09556	7.5
127.03883	16.7
131.08551	13.8
133.10095	47.7
135.08022	9.3
135.11665	3.7
137.05975	2.1
139.11128	4.0
143.08493	2.9
145.04933	22.1
145.10078	5.3
147.11652	12.6
149.13228	20.0
151.11162	16.1
153.09045	11.0
157.09772	1.8
158.10887	5.2
163.05986	7.3
163.14806	7.8
165.12704	6.8
167.14258	20.9
171.10159	2.1
173.13211	30.8
175.08647	1.6
175.14777	6.9
177.05408	3.7
181.15709	1.7
191.14261	30.5
209.15314	100.0
210.15616	2.7
227.16368	14.2
267.16263	1.9
273.11066	2.3
568.30878	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	568.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38783	4.1
53.03940	5.7
55.01905	4.5
55.05518	8.8
61.02910	4.9
67.05498	7.5
69.03427	12.5
69.07057	13.2
71.04976	7.3
79.05483	6.8
81.07050	20.0
83.04981	14.4
83.08646	5.6
85.02895	37.3
85.06503	4.9
91.05473	15.9
93.07008	11.3
95.04964	35.2
95.08594	12.1
97.02885	13.3
97.06526	16.9
99.04433	11.2
105.07038	21.1
107.08566	29.1
109.06509	28.4
109.10146	33.4
115.07605	6.0
119.04939	7.5
119.08549	21.9
120.08097	5.7
121.10197	23.9
123.04422	6.5
123.11709	5.7
125.22766	4.4
127.03896	7.6
128.37909	4.5
131.08585	16.0
133.10097	66.6
133.11005	5.5
135.08086	11.4
135.11697	18.5
137.06033	8.2
139.11172	7.2
145.04968	7.1
145.10083	13.8
147.11665	18.3
149.13226	18.5
151.11185	8.8
158.10892	6.9
163.14822	4.8
164.06969	5.7
165.05513	8.7
167.14302	6.6
173.13243	61.3
175.14848	17.8
181.06450	7.8
191.14317	58.0
207.06505	10.7
209.06996	4.8
209.15352	100.0
213.09061	10.3
227.16336	42.9
237.09363	4.9
241.08595	13.7
258.08850	20.0
273.11218	58.6
293.07996	6.9
325.10550	14.3
353.10162	14.1
371.11224	5.7
568.27631	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	568.3263
Annotation	14-O-benzoylperegrine
Peak:m/z	Relative Intensity
54.71022	0.3
56.04967	1.4
56.05222	0.6
58.06529	8.1
59.04949	0.8
67.05463	0.8
70.06516	2.0
70.73132	0.5
71.03242	0.3
71.04934	0.8
72.08072	1.3
74.42030	0.3
79.05482	2.0
81.06996	0.5
91.05479	2.9
91.05986	0.5
93.06969	0.8
95.04931	1.7
96.08025	0.4
98.09602	1.1
102.09166	11.4
102.09814	0.7
103.05370	0.7
105.03374	8.0
105.04438	0.7
105.07008	3.1
108.08106	2.3
109.06498	0.5
117.06921	1.6
119.08502	0.7
121.06414	1.2
121.08776	0.4
121.10970	0.4
122.09575	1.2
128.06166	0.8
128.10583	0.4
129.06981	1.9
131.08469	1.4
132.07991	0.4
134.09599	0.4
135.08043	2.7
141.06906	1.3
143.08466	1.6
145.10068	0.4
147.07857	0.4
147.81311	0.3
152.10626	0.7
153.06905	0.7
154.07739	0.3
154.12196	0.9
155.08467	1.4
157.10048	0.6
158.09567	1.4
159.07954	0.6
160.11148	0.9
161.09483	0.4
165.06923	1.2
165.11406	0.6
166.07692	0.4
167.08430	1.6
169.10081	0.8
171.07948	0.5
172.11115	1.2
173.09520	0.6
174.12689	0.8
178.07739	1.0
178.12183	0.6
179.08481	1.9
180.09148	0.4
181.10042	1.1
183.11674	0.4
185.09650	0.5
185.11897	0.4
186.12700	0.4
190.88103	0.4
191.08447	0.7
192.09323	1.0
193.10014	1.3
193.78619	0.4
196.11203	0.4
197.09572	0.4
198.12715	0.6
202.07718	0.4
203.08452	1.1
204.09331	1.0
205.09985	1.4
207.11624	1.2
209.09549	0.4
211.11142	0.6
215.08501	0.9
217.10057	1.2
218.10789	0.5
219.11734	0.7
225.12521	0.4
230.10802	0.4
233.13133	1.3
234.12692	0.5
235.14819	1.0
236.14236	0.6
245.13210	1.0
247.14685	0.8
262.15869	0.6
263.14194	0.5
265.15866	1.0
267.06714	0.4
270.18668	0.3
276.17535	0.6
290.19016	0.7
294.18323	0.8
296.20142	0.4
308.20059	0.6
322.21527	1.3
326.20978	1.7
340.22583	0.5
350.21048	0.6
354.24261	1.1
382.23697	15.4
383.24011	0.9
386.23215	9.6
414.26309	47.8
415.26855	2.4
446.28986	20.4
447.29282	1.0
472.83044	0.4
536.30176	1.7
540.37457	0.4
568.32611	100.0
569.33008	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	568.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87205	0.7
53.03941	4.5
55.01865	1.5
55.05503	12.5
56.05030	2.6
57.03435	5.2
57.07066	2.0
58.06602	3.1
59.04996	1.3
60.04527	1.8
61.02924	1.8
65.03944	0.9
67.05495	24.0
69.03419	12.1
69.07054	11.2
69.82292	0.6
70.06583	14.5
71.03693	0.8
71.04988	4.2
73.02913	2.7
79.05483	13.1
81.03406	11.3
81.07044	29.7
82.06573	1.3
83.04980	2.6
83.08614	9.8
84.08148	2.2
85.02894	32.4
85.06519	1.4
86.06028	0.7
87.04446	1.0
91.05473	3.0
93.07032	17.0
93.07592	1.3
94.06532	0.7
95.04940	1.5
95.08594	35.9
96.08143	2.5
96.08955	0.8
97.02879	14.3
97.03473	1.0
97.06528	1.5
97.10143	7.6
98.09698	2.0
99.04439	24.0
99.05055	1.2
99.08091	2.6
103.03927	20.6
105.07002	1.4
107.08582	12.6
108.04466	0.8
109.02864	12.4
109.10141	19.8
109.10873	1.0
110.09697	1.0
111.08064	1.1
111.11716	0.9
112.11242	2.6
113.09663	1.5
115.03976	0.8
117.06953	0.6
119.06148	0.7
121.10134	11.5
121.10960	0.9
123.11682	4.1
124.11224	1.3
125.09640	1.7
126.05536	1.3
126.12811	1.5
127.03896	41.6
133.10129	0.8
135.11678	14.4
136.07570	3.1
137.05965	0.6
139.11159	0.9
145.04933	11.0
149.13243	6.0
153.12758	0.9
163.06050	2.0
163.14845	0.7
167.07040	0.9
170.19624	0.6
178.04967	1.4
187.05975	3.6
191.17891	7.7
191.88783	0.6
196.24968	0.6
205.07074	1.2
206.04453	1.4
208.20564	28.7
209.18950	11.2
222.22610	0.6
226.21625	36.2
227.16478	0.7
227.22047	0.7
244.22685	55.9
245.23207	2.4
250.21828	0.9
259.27924	0.7
262.23740	73.8
263.24088	1.6
268.22705	1.8
271.08133	1.0
286.23721	2.8
304.24829	4.0
316.22665	0.7
334.23734	1.5
352.24915	1.7
496.28995	2.6
508.25351	0.7
514.30035	3.8
532.30957	4.3
550.24268	1.2
550.32227	17.1
551.32208	1.0
568.33215	100.0
569.33380	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	568.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10788	1.0
53.03937	2.9
55.01867	1.3
55.05502	13.4
56.05031	2.2
57.03436	6.2
57.07079	1.5
58.06591	5.5
58.14195	1.2
67.05496	22.4
67.92525	1.0
69.03419	10.9
69.07065	9.2
69.85116	3.4
70.06588	13.2
71.04994	3.3
73.02899	2.7
73.55602	1.0
74.06073	1.2
79.05479	12.7
79.63551	1.0
81.03407	14.0
81.07051	26.3
81.07499	1.9
82.06578	1.1
83.04976	1.8
83.08611	7.9
84.08148	4.2
85.02895	32.3
85.06539	2.4
91.05498	3.4
93.07042	17.1
95.04977	1.9
95.08595	35.4
96.08147	2.0
97.02880	14.7
97.06527	1.5
97.10161	6.5
98.09705	1.3
99.04438	18.5
99.08088	2.1
103.03931	20.9
107.08582	10.0
108.04449	2.1
109.02868	10.7
109.10145	20.7
110.09665	2.1
111.11684	1.6
112.11236	2.3
113.09643	2.1
115.04005	1.2
121.10139	11.3
123.11728	4.3
125.09638	3.2
126.12798	1.3
127.03903	38.2
133.10139	1.6
135.11670	13.5
135.12457	1.1
136.07570	2.5
137.06012	2.0
145.04933	11.1
147.11691	1.4
149.13237	5.9
163.06148	1.8
163.14876	1.3
169.04977	1.2
187.06050	3.8
191.17921	9.5
205.07101	1.1
206.04628	1.3
207.06609	1.3
208.20589	25.9
209.18964	9.3
226.21648	33.7
226.23763	2.1
227.16429	1.3
244.22676	54.5
250.21722	1.5
262.23737	63.2
268.22522	1.9
271.08118	2.1
286.23849	2.5
296.91833	1.0
304.24921	4.5
304.45602	1.0
315.17841	1.0
334.23743	2.1
459.67996	1.0
466.08893	1.3
496.28964	1.6
508.25339	2.8
514.29968	3.5
532.13263	1.2
532.31158	3.8
550.32147	16.5
551.33002	1.1
568.33295	100.0
569.33527	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96278	2.8
56.96555	48.2
57.27850	1.6
60.67967	1.3
68.53483	1.4
70.77391	2.4
70.98104	18.3
84.96036	11.1
88.99147	6.1
98.97565	71.4
102.97095	1.7
107.00145	1.4
110.97547	28.1
112.99062	1.8
116.98607	33.2
122.97541	2.3
124.99097	4.5
127.00605	2.8
128.98589	26.5
134.99628	7.7
136.99075	1.7
140.98569	18.0
143.00130	20.2
145.01741	2.3
146.99609	14.5
149.81738	1.3
152.98590	7.3
155.00142	21.5
157.01762	7.5
158.99615	33.0
160.29506	1.5
161.01193	17.6
164.07051	4.0
168.98080	6.1
170.99620	28.7
173.01198	28.4
175.02744	9.0
177.00697	18.8
182.99591	26.2
186.99077	19.2
189.00662	28.1
191.02252	4.3
199.02774	2.1
201.00668	93.6
205.00177	11.3
207.01692	1.8
207.20908	1.6
213.00607	4.3
216.98631	1.5
217.03763	1.8
219.01727	100.0
226.98550	7.6
230.98120	1.9
231.01746	6.0
237.02759	32.6
243.01747	25.8
244.99646	45.1
249.02824	2.0
253.03709	2.0
255.01639	2.3
261.02768	81.0
263.00720	93.5
267.01740	1.9
273.02722	10.0
279.01019	2.5
279.03842	35.9
281.01764	5.3
287.00677	45.1
291.03870	16.3
303.03790	3.3
304.98691	2.1
305.01804	22.5
309.04889	3.2
313.02411	2.1
317.01715	18.0
321.04858	43.8
331.03305	4.2
333.04901	7.7
335.02692	2.8
345.04922	7.6
347.02826	14.3
351.05896	8.9
357.01175	3.5
363.05869	6.5
371.02826	1.7
375.02322	4.8
381.07181	10.8
389.03873	34.9
399.08200	7.8
407.04901	36.0
493.08337	3.6
525.11365	2.1
537.07648	13.6
569.10016	29.9
569.18256	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	569.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
54.78811	0.8
55.01862	2.1
55.05515	4.6
57.03424	3.1
57.07066	2.1
58.06584	3.2
59.04999	1.0
61.02922	2.6
64.51615	0.8
65.03944	5.2
67.05488	4.3
69.03420	9.2
69.07056	2.3
70.03760	1.2
70.06570	2.7
71.04988	1.2
71.44778	1.1
72.04491	1.0
72.08131	1.1
73.02914	1.5
75.18661	1.0
79.05498	4.5
81.03406	3.0
81.07048	6.3
83.04980	6.3
83.08603	3.1
84.08138	1.2
85.02897	29.2
85.06519	1.8
86.03234	3.0
86.09702	1.0
87.04478	1.0
88.04024	1.2
91.03947	1.4
91.05468	3.8
93.03409	1.1
93.07027	3.7
95.04943	6.5
95.08599	3.1
97.02875	7.3
97.06533	4.1
99.04444	2.6
105.07022	6.1
106.07256	1.0
107.04928	2.5
107.08580	8.5
108.04472	1.5
108.08170	1.7
108.08898	1.7
109.02872	3.0
109.05274	4.4
109.06494	6.9
109.10140	10.2
110.06030	1.7
110.08411	0.8
110.10498	1.6
111.04424	1.4
111.08054	1.7
115.07555	1.6
117.06942	1.0
119.08558	4.0
121.02854	99.8
121.10136	7.7
122.03172	1.3
122.10421	1.8
123.08044	2.7
123.11664	4.0
125.09608	2.5
127.03913	7.7
131.08531	3.9
133.10121	12.6
134.10484	2.7
135.08038	3.6
135.11647	1.3
136.03949	1.2
137.05989	2.2
137.13235	1.0
138.00153	1.4
139.11142	1.3
140.01639	20.1
143.04791	0.8
143.08545	1.2
145.04945	11.7
146.05273	1.5
147.11670	3.5
148.11995	1.2
149.00523	1.5
149.09605	1.0
149.13206	2.9
150.13628	1.4
151.11169	5.2
152.03351	1.8
153.09085	4.0
158.10844	1.5
163.05997	2.7
163.14838	2.7
165.01157	10.9
165.12683	1.2
165.99542	6.5
166.03217	14.2
166.04964	4.1
167.14304	5.5
168.01131	16.9
168.14583	1.0
173.13245	9.7
174.13615	2.0
175.14835	2.0
177.05467	1.3
178.04979	7.9
182.02719	6.6
182.06857	0.9
183.05870	1.4
184.00679	1.4
191.02719	3.6
191.14304	10.6
192.01088	1.2
192.14661	2.6
194.02708	6.4
197.43796	0.8
198.02174	4.6
206.04482	12.6
209.03780	5.3
209.13313	1.6
209.15324	30.4
210.02216	1.8
210.15668	10.8
224.03653	1.5
227.16437	5.9
227.18309	1.0
228.16826	2.1
234.09700	1.8
237.03256	6.2
244.16516	1.0
255.04311	100.0
256.04651	1.3
257.13992	1.0
273.11255	3.4
274.11517	5.0
287.06870	17.5
288.03156	3.8
325.10739	1.2
326.11050	1.8
353.10291	1.1
354.10492	3.0
357.05258	3.6
375.06412	38.0
376.06598	1.4
407.08990	18.5
432.23828	1.3
433.24033	1.5
439.13425	4.3
550.29498	2.8
551.30444	1.1
556.99866	0.9
568.31110	13.5
569.31793	11.3
570.32269	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	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61891	0.4
58.06568	0.9
59.65825	0.3
69.68573	1.3
76.04978	0.3
84.01856	0.4
88.68115	0.4
96.01852	0.4
102.09172	1.2
105.03379	1.0
105.07021	0.4
112.84917	0.4
118.68725	0.3
123.16203	0.4
131.63892	0.4
185.04173	0.7
189.36490	0.4
203.05238	1.0
216.28198	0.4
259.07770	1.4
331.09946	2.1
333.20221	0.6
382.23938	0.5
383.23911	0.8
387.16275	0.6
387.23584	0.6
400.18439	0.4
407.23953	1.9
414.26300	1.0
415.26620	3.9
441.20972	3.6
443.22324	0.9
447.29211	1.6
471.21689	0.5
477.28186	0.4
499.21182	1.2
568.32745	0.6
569.29077	100.0
570.29608	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	569.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43697	0.5
58.06588	0.5
61.70999	0.3
71.00355	0.5
71.04951	0.4
86.09700	0.4
102.09171	0.8
105.03386	1.0
109.99499	0.3
120.13303	0.4
143.08620	0.5
184.07188	0.4
185.04201	1.1
201.03699	0.7
233.02440	0.4
259.71295	0.4
275.07440	0.6
331.09924	3.1
345.11572	0.6
359.13159	0.4
383.24219	0.6
407.19226	0.4
407.23959	2.5
415.26791	1.7
427.19257	0.4
441.20819	2.9
443.22583	1.2
446.28900	0.6
447.29141	0.6
499.21204	1.2
569.29150	100.0
570.29547	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	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52974	0.4
58.06596	2.8
69.97127	0.6
69.97419	0.7
70.06554	0.8
79.05470	0.6
91.05477	1.0
93.06988	0.6
95.04896	0.9
98.22741	1.0
102.09166	3.0
103.09451	0.8
105.03375	2.5
105.06963	1.3
106.03707	0.5
108.08055	0.5
117.07002	0.5
129.06938	0.6
155.08411	0.6
165.07033	0.5
185.04135	0.7
203.05121	1.5
203.08354	0.5
220.11725	0.7
251.79138	0.6
259.07614	1.3
269.22546	0.6
309.57245	0.6
382.23352	1.7
383.23886	2.9
386.23004	1.0
387.23294	2.0
407.23746	1.0
414.26151	3.7
415.26648	11.6
446.28406	2.0
447.29205	5.2
457.20258	2.4
471.21964	2.3
487.20752	1.0
537.30273	0.9
568.32538	2.9
569.28778	100.0
570.29718	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	569.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01868	5.1
55.05500	34.7
56.05981	1.4
57.07065	1.9
65.03936	2.3
67.05495	38.1
69.03420	1.6
69.07059	18.4
71.04964	3.3
79.05480	39.7
81.03417	3.7
81.07042	39.7
83.04961	7.2
83.08607	24.4
85.06541	2.3
91.05466	46.1
93.07033	45.0
95.04953	25.4
95.08009	2.4
95.08598	30.5
95.09208	1.9
97.06501	7.8
97.10172	6.2
99.08069	2.0
103.05432	1.4
105.04464	2.1
105.07011	47.1
107.04950	9.5
107.08581	27.4
109.06522	5.7
109.10120	13.4
111.08089	7.1
115.05442	2.3
117.06988	14.4
119.08558	37.0
121.06461	3.3
121.10120	19.9
123.08039	4.0
123.11704	3.9
125.09619	6.6
128.06287	1.7
129.07001	5.4
131.08549	23.9
133.10104	33.6
135.08051	6.4
135.11658	13.9
137.08601	1.4
137.09610	5.0
139.11221	4.1
141.06982	2.4
143.08574	5.7
145.06500	2.0
145.10100	26.5
147.08005	2.1
147.11668	20.2
149.09593	24.3
149.13243	5.8
151.11171	4.1
153.06908	1.4
155.08545	5.4
157.10083	8.5
159.11674	16.9
161.09598	1.8
161.13205	10.4
163.11157	25.5
163.14864	2.5
165.12766	5.0
169.10068	6.9
171.11641	7.1
173.09627	3.2
173.13216	8.4
175.11287	2.9
175.14801	5.9
177.12729	2.3
183.11670	5.0
185.13280	4.1
185.14906	1.6
187.11237	1.4
187.14839	3.8
189.11235	2.0
189.12805	2.1
191.14375	2.4
197.13249	5.4
199.14787	4.4
207.13756	1.7
209.13344	1.6
213.16360	2.9
215.17911	1.5
223.13251	11.7
229.19537	4.7
235.16946	2.2
239.17967	11.3
241.19576	2.2
247.16948	2.2
247.20624	2.2
257.18869	13.1
259.20581	11.5
275.20020	100.0
276.20682	6.6
277.21622	17.7
293.20999	22.0
300.51074	1.4
301.21494	2.2
315.23090	1.9
335.23932	1.5
355.64691	1.3
423.32452	1.9
441.33435	5.0
457.33066	1.5
533.39435	2.2
551.40765	6.4
568.56738	2.5
569.42010	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	570.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72530	0.7
52.77407	0.7
53.03944	0.8
57.03439	0.8
57.42364	0.6
62.77872	0.6
69.03417	3.1
71.78561	0.6
79.05498	2.0
81.03403	1.0
81.07056	1.1
85.02896	5.7
91.05460	4.5
93.07028	2.8
95.04941	1.6
97.02872	2.9
98.22601	1.2
103.05434	3.2
105.03410	0.9
105.07019	1.9
107.04951	6.9
109.02897	0.9
115.05409	1.0
117.07001	1.3
119.04911	1.6
120.05682	0.9
121.02888	0.8
121.06500	5.3
123.04414	2.2
124.05181	0.9
127.03960	1.1
128.06223	0.9
129.06995	5.3
131.04901	1.7
131.08543	3.3
134.27231	0.7
135.04439	0.9
135.08054	1.7
136.05144	0.9
137.05925	3.8
138.59225	0.7
145.06499	1.4
147.07962	0.7
148.05197	1.0
149.05989	2.0
151.03897	1.0
151.07555	3.9
152.04695	0.7
153.05472	2.7
157.06494	4.6
161.05957	9.0
161.09631	2.0
163.07500	5.2
165.06889	1.3
165.09108	2.6
166.06270	1.6
167.07036	19.2
167.08458	1.5
174.06790	2.7
175.07500	3.3
177.05481	1.3
177.09088	3.0
179.07062	1.0
179.08534	1.6
181.08585	21.7
182.07278	1.3
183.29089	0.7
187.07686	0.8
189.09099	15.3
191.06972	0.7
191.08533	1.0
193.08580	1.4
195.08061	3.0
197.09633	1.3
204.02551	0.6
207.10141	5.0
208.08830	1.1
210.06834	1.3
219.07959	1.8
221.05899	0.8
221.11635	0.7
223.07637	1.9
223.11345	1.3
225.09146	3.7
227.06897	1.0
229.12166	1.2
235.07587	0.8
236.08342	1.2
237.09044	1.7
239.06921	0.8
240.07753	1.2
241.08449	0.8
246.24101	1.6
247.07445	1.0
251.07057	1.6
251.10706	2.2
253.08615	2.9
255.06459	1.5
255.10220	1.7
257.11743	3.8
265.08566	1.6
267.68665	0.7
270.08618	1.2
279.10083	2.3
283.09653	3.6
283.13239	1.9
284.10211	0.7
285.11182	6.4
297.11041	1.5
299.09103	1.1
302.11420	1.3
305.13742	0.9
311.12689	2.1
315.12244	3.8
317.13919	6.7
329.13956	1.2
331.15408	2.0
343.15408	11.5
361.16418	100.0
362.16809	3.6
373.16357	2.3
408.29526	1.0
438.94949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03761	1.4
53.03946	1.5
55.01848	1.3
55.14666	1.2
57.03429	2.1
58.06572	2.3
58.37645	1.6
61.02922	2.5
64.75565	1.3
69.03421	4.5
70.06583	2.3
71.04981	1.6
79.05479	4.4
81.03415	2.0
81.07056	1.5
85.02891	14.4
91.05463	7.7
93.07036	4.0
95.04940	3.0
97.02867	4.0
103.05479	3.7
103.33456	1.3
105.07043	2.9
107.04946	9.6
109.02917	2.7
115.05448	2.0
117.07005	2.2
119.04912	2.8
119.08579	1.4
120.05798	1.3
121.06467	3.9
123.04428	2.1
127.03926	2.8
128.06203	2.5
129.06999	17.1
131.04919	3.4
131.08571	10.0
133.06444	2.7
135.08083	2.6
137.05972	9.2
141.06976	5.0
145.04895	2.1
145.06468	3.1
146.07211	1.8
147.04358	1.9
148.05161	1.6
149.06013	2.0
151.07512	6.3
153.05467	3.5
157.06456	13.7
158.07259	2.7
159.08058	8.8
160.05234	1.6
161.05962	14.9
161.09624	3.1
163.06294	1.4
163.07483	8.2
165.06987	2.3
165.09090	4.1
166.06256	3.6
167.07027	35.3
167.08470	1.7
168.01733	1.3
169.06450	4.1
170.07289	1.8
173.05891	1.8
174.06740	20.7
175.07529	9.8
177.05449	1.6
177.09068	5.3
179.08444	1.5
180.08685	3.4
181.08591	33.3
183.08138	1.7
186.06723	3.2
189.09084	52.3
191.06892	2.9
191.08492	1.4
191.10628	3.3
193.08475	1.6
194.07230	1.8
195.08022	2.4
197.09540	3.8
201.09109	11.4
207.10109	7.7
210.22159	2.7
219.10138	100.0
221.05896	1.7
223.07568	2.7
225.09061	6.7
228.23256	2.3
236.08156	2.1
237.09090	2.1
246.24232	2.0
253.08549	5.4
255.10158	2.4
257.11755	7.5
267.10217	2.0
279.09982	2.4
283.09576	4.9
283.13177	4.1
285.11224	11.7
299.12753	1.4
311.12769	1.6
315.12250	6.4
317.13800	12.9
329.13858	2.6
331.15289	2.6
343.15359	19.0
361.16422	95.3
362.16595	2.8
373.15887	1.8
385.50977	1.5
392.08780	1.4
448.23206	1.7
570.35547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05500	0.4
56.05005	0.9
57.03410	0.3
58.06578	1.3
61.02930	0.4
65.03957	0.4
65.91632	0.4
67.05476	0.8
69.03407	1.5
69.07061	0.6
69.76525	0.3
70.06568	1.1
71.04975	0.8
73.02888	0.6
74.06027	0.6
75.04468	2.4
79.05464	1.6
81.03415	0.6
81.07052	1.9
82.07368	0.4
83.04985	0.5
84.08115	0.5
85.02898	2.4
87.04438	0.5
88.07599	0.9
91.05459	2.0
91.96708	0.4
93.07029	0.6
94.06559	0.9
95.04944	0.9
95.08575	0.7
96.08113	0.5
97.02890	0.9
99.04477	0.6
103.03919	0.6
105.06998	1.5
107.04941	0.8
107.07246	0.5
107.08578	0.4
108.08122	1.8
108.08768	0.4
109.06502	2.0
109.10254	0.4
110.23068	0.4
111.04379	0.5
111.08063	1.6
115.05396	0.6
116.06155	0.3
117.07017	1.0
120.08061	1.0
121.06512	0.6
122.09678	0.5
123.04414	0.4
124.07552	0.5
127.03884	0.9
128.06194	0.5
129.07004	3.1
131.04895	0.4
131.08542	2.0
132.08044	0.5
133.02786	0.4
134.09538	0.5
135.04324	0.6
135.07941	0.5
137.05959	4.0
138.09126	3.1
139.11124	0.8
141.06943	1.6
143.08484	0.8
144.08035	0.8
145.06471	0.5
146.09628	1.3
153.05533	0.5
153.06952	1.0
155.08534	1.1
157.08789	0.4
158.09639	1.1
159.08054	1.2
160.07588	0.4
161.09578	0.9
163.03893	1.0
164.10648	1.0
165.06969	1.5
165.16277	0.3
167.08543	1.3
169.06497	0.7
170.09642	1.1
171.08018	0.5
172.11200	1.6
176.10722	0.7
177.05385	0.5
178.07756	0.7
179.08559	2.0
181.06393	0.7
181.10136	1.1
182.09645	0.8
183.08076	0.5
184.11188	5.8
185.09619	0.7
190.07744	0.9
191.08563	1.7
192.06487	0.4
193.10095	1.1
195.08029	0.8
196.11119	1.3
197.09538	0.7
197.11966	1.3
199.07402	0.5
202.07727	1.2
202.12210	0.6
203.08553	1.5
204.09352	0.5
204.13780	2.6
205.10062	2.2
207.07997	1.5
207.11790	0.7
208.10997	0.4
209.09607	1.1
210.12802	0.4
211.11324	0.4
212.10567	0.4
215.08560	0.5
217.10101	1.2
218.07225	0.7
219.07956	1.0
221.09561	0.7
223.11195	0.9
225.09042	0.5
227.21973	0.4
233.09529	1.5
233.11673	0.4
235.07616	0.4
235.11183	0.5
237.09073	0.9
238.12175	0.4
241.14267	0.8
244.13344	0.9
244.22713	1.0
245.09464	0.6
245.22945	0.6
251.10719	1.4
261.09015	1.0
262.23843	0.5
263.10632	0.4
263.24057	0.8
265.12192	0.8
266.15228	0.4
276.14182	0.4
279.09982	0.7
292.13339	0.4
293.11597	0.9
294.54117	0.4
304.13312	0.7
308.12756	0.4
311.12686	0.9
312.15881	0.4
322.14450	0.8
325.14157	1.0
326.17471	0.8
328.15488	0.7
342.17050	0.6
354.16943	2.2
357.16669	0.5
358.20026	4.2
360.17886	1.9
386.19525	3.1
390.22531	2.0
392.20401	2.1
396.17682	0.4
408.27292	0.5
414.18790	0.4
418.22165	8.7
438.28510	0.5
448.26904	0.5
450.24835	6.8
464.26151	1.5
464.32205	0.4
478.24231	4.3
479.24631	0.4
510.26923	22.1
511.27121	1.1
552.31940	2.3
570.28827	100.0
571.29242	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	570.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01865	0.3
56.05024	2.9
58.06594	13.6
59.04982	0.3
65.03938	0.5
66.76030	0.3
67.05492	0.8
68.05027	0.3
69.63073	1.1
69.63454	0.6
70.06606	0.3
71.04960	0.7
72.08149	1.7
77.03928	0.7
79.05484	2.6
80.05002	0.9
81.07050	0.7
82.06577	0.6
84.08124	2.8
85.02909	1.4
87.39668	0.3
91.05479	3.4
93.03411	1.2
93.07010	0.8
94.06551	0.8
95.04963	3.1
96.08105	0.7
97.06516	0.5
98.09652	1.6
98.22680	0.3
105.03383	15.9
105.04493	0.6
105.07016	1.7
107.04945	12.5
107.05677	0.7
108.08111	6.7
108.08830	0.5
109.06525	0.6
110.09695	0.9
115.05447	0.7
117.07015	2.2
119.04920	0.5
119.08583	0.9
121.02827	0.6
121.08898	1.2
122.09656	5.4
123.10487	0.8
124.11202	2.1
125.05975	0.6
128.06256	1.1
129.06976	2.5
131.08571	2.9
132.09291	0.4
133.06514	0.4
133.10115	0.8
134.09598	0.3
135.04427	0.5
137.05942	0.9
141.06036	0.4
141.07018	1.2
142.07758	0.3
143.08569	2.3
145.06558	0.4
145.10121	1.9
147.08054	0.6
147.11676	0.6
153.07079	0.5
154.07745	0.5
155.08533	1.9
157.02139	0.3
157.06509	1.1
157.10124	0.7
159.08093	0.7
160.11249	0.6
162.12807	0.4
162.47443	0.3
165.06982	0.7
166.07750	0.7
167.08612	1.2
168.09315	0.4
169.10112	1.2
171.08092	0.4
171.11662	0.3
173.09674	0.7
178.07777	1.0
179.08601	1.9
180.09351	0.9
181.10143	1.4
183.08101	0.6
185.09599	0.5
186.12819	0.7
188.14406	1.1
189.15125	0.5
190.15953	0.8
191.08504	0.7
192.09384	0.9
193.10115	1.1
195.11758	1.0
197.09717	0.8
198.12852	0.3
203.08588	0.8
204.09297	0.7
205.10094	1.1
207.11656	1.4
209.13182	0.4
217.10181	0.7
218.11519	0.4
219.11734	0.8
221.13333	1.2
223.11298	0.6
231.11861	0.4
233.13298	0.6
235.11282	0.4
235.14807	0.5
237.12799	0.7
242.11726	1.1
243.11731	0.3
244.13435	0.7
249.12680	0.6
263.14310	0.5
267.13754	0.3
279.13885	0.4
280.16910	0.7
306.18570	0.6
310.18036	0.5
324.19644	1.1
338.21109	0.9
356.22232	1.1
388.21017	0.3
398.23334	1.1
446.23322	1.1
460.24908	0.5
478.25867	2.8
499.56943	0.4
510.24573	0.5
520.26862	1.3
538.27936	13.7
539.27826	0.8
570.30560	100.0
571.30933	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	570.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	0.3
55.05496	0.5
56.05035	1.1
58.06331	0.5
58.06595	4.6
67.05508	1.0
69.68575	0.5
69.68910	1.0
70.06586	0.4
71.04990	1.7
72.08143	1.4
75.04469	0.6
77.03930	0.5
79.05498	1.7
80.05001	0.3
80.08732	0.3
81.03395	0.5
81.07049	0.8
82.06586	0.4
84.08136	0.9
85.02914	0.4
88.07642	1.4
91.05460	3.2
93.07039	1.2
95.04987	1.1
97.02888	0.5
97.06536	0.5
98.09705	1.4
102.09210	0.6
103.05479	0.6
105.03378	4.7
105.04482	0.4
105.07040	1.5
107.04935	1.7
108.08111	3.7
109.06489	0.8
114.09212	0.4
115.05465	0.9
116.06272	0.4
117.07033	1.6
119.08591	0.7
121.06518	1.1
122.09670	2.8
124.11250	0.5
125.05995	0.3
128.06216	0.9
129.07036	2.3
131.04932	0.5
131.08563	2.7
132.08115	0.4
133.06474	0.6
134.09621	0.6
135.08107	0.7
136.11217	0.5
138.09125	0.8
141.06932	1.7
142.07843	0.4
143.08575	1.4
145.06508	0.5
145.10136	0.8
147.08083	0.8
147.10425	0.5
148.11140	0.5
149.09654	0.4
152.10699	0.5
153.06979	0.7
155.08565	2.0
157.06474	0.6
157.10135	1.1
159.08043	0.6
161.09563	0.5
163.07512	0.5
165.06992	1.3
165.16400	0.4
166.07721	0.5
167.08546	1.9
169.10149	0.8
171.08110	0.8
172.11163	0.4
176.10732	0.4
178.07773	0.8
178.12283	0.3
179.08580	1.6
180.10287	0.4
181.08673	0.4
181.10034	1.7
183.07961	0.6
184.07339	0.6
186.12808	0.4
191.08568	1.0
192.09370	0.9
193.10205	1.2
195.08160	0.5
195.11757	0.9
197.09702	0.6
202.07765	0.6
203.08641	1.0
204.09245	0.5
205.10138	1.2
206.11769	0.7
207.11751	0.7
208.11162	0.4
209.09665	0.4
210.12779	0.4
211.16899	0.3
215.08636	0.5
215.95721	0.3
217.10155	1.0
219.11743	0.9
221.09816	0.5
221.13338	0.4
223.11121	0.4
223.14911	0.4
231.11699	0.6
233.13347	0.6
237.12894	0.4
249.12683	0.9
250.15929	0.5
269.06277	0.7
292.17065	0.4
294.15079	0.4
294.18527	0.5
306.18536	0.7
310.18155	0.4
314.17688	0.6
324.19690	0.7
335.55069	0.4
338.17511	0.6
338.21136	1.5
340.19077	0.6
342.20599	1.0
354.20651	0.6
366.20627	1.1
370.19952	0.4
370.23865	1.3
384.21603	0.8
388.24805	0.8
398.23163	8.7
402.22714	6.2
404.24188	0.6
413.50739	0.4
416.24338	3.7
430.25848	28.5
431.26144	1.0
448.26889	42.1
449.27142	1.6
520.27301	0.4
538.27704	0.9
545.75183	0.4
552.29169	0.4
570.30548	100.0
571.30884	6.5
581.18127	0.4
581.47919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44156	0.3
54.37598	0.3
55.01872	0.4
56.05033	0.8
56.82108	0.3
58.06594	7.7
60.04184	0.3
65.34714	0.4
67.05489	1.1
71.04974	1.1
72.08144	2.3
77.03896	0.5
79.05476	1.4
80.05014	0.5
81.07061	0.6
81.41592	0.4
83.04980	0.5
84.08138	0.9
86.06087	0.4
91.05460	4.5
93.07041	1.7
95.04955	2.1
97.06512	0.5
98.09656	0.5
103.05449	0.8
105.03387	6.6
105.04462	0.9
105.07006	3.5
107.04947	0.6
108.08112	4.1
109.02854	0.5
109.06512	0.8
110.09628	0.6
115.05447	1.2
117.06313	0.4
117.06996	2.7
119.04970	0.4
119.08586	1.0
121.06493	1.5
122.09648	2.9
124.11209	0.9
128.06223	1.3
129.06978	2.6
131.08594	2.6
133.06451	0.7
133.10168	0.5
135.08035	1.8
141.06984	2.2
143.08504	3.0
145.06462	0.6
145.10109	0.8
146.09628	0.7
147.08005	0.9
148.11151	0.9
150.09140	0.5
153.06981	1.5
154.07816	0.6
154.12256	2.5
155.08554	2.6
157.10118	0.7
158.09648	0.6
159.08099	0.7
160.11194	0.9
161.09637	0.5
163.07480	0.4
164.10744	0.6
165.06987	1.4
166.07794	1.2
167.08539	2.8
168.25235	0.3
169.10115	1.1
171.08115	0.5
172.80095	0.4
173.09578	0.7
178.07796	1.1
179.08516	2.5
180.09280	0.6
181.10063	1.9
183.08052	0.5
186.12823	0.4
188.10692	0.7
188.14148	0.4
190.12100	0.5
191.08524	1.6
192.09334	1.4
193.10066	2.0
195.08147	0.6
195.11691	1.2
197.09554	0.7
198.12669	0.6
200.06607	0.3
202.07774	0.8
203.08572	1.4
204.09337	0.6
205.10162	1.6
206.10950	0.8
207.07986	0.4
207.11731	1.6
215.08493	0.4
216.09244	0.9
217.10167	0.6
218.10919	0.9
219.11775	0.9
221.09766	0.5
221.13222	1.7
223.11226	1.0
228.09485	0.4
231.11688	1.3
233.13354	1.3
235.08864	0.4
235.11058	0.7
237.12653	0.4
240.13908	0.8
243.11610	0.5
245.13377	0.4
249.12740	1.5
249.15086	0.4
250.09430	0.4
250.15977	0.4
251.14276	0.5
261.12747	0.6
265.16006	0.6
272.16376	0.4
279.13815	0.5
293.15363	0.5
306.18497	1.0
310.18127	0.8
316.18997	0.4
324.19479	0.5
336.19461	0.5
336.35974	0.4
338.21246	1.2
342.20761	0.8
352.19312	0.4
356.22119	0.6
362.38040	0.4
366.20789	0.6
370.19931	4.2
370.23901	1.0
384.21539	0.6
398.23227	5.1
402.22693	1.2
412.24652	3.0
416.24017	0.5
430.25842	34.8
431.26227	1.6
448.26877	23.4
449.27350	1.1
552.29700	1.5
570.30524	100.0
571.30933	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	570.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96627	1.6
55.05500	15.0
57.03432	5.4
57.17422	1.7
58.06586	5.7
61.02909	2.5
67.05523	2.9
69.03426	6.7
69.07080	3.7
70.06573	2.1
71.04986	29.9
72.39445	1.9
73.01870	1.7
73.02924	2.3
76.03306	1.9
79.05491	2.6
81.07052	6.0
83.04974	16.8
83.08617	12.4
84.08152	1.9
85.02895	43.9
85.06538	2.0
87.04459	2.2
91.05480	5.6
93.07035	9.6
95.04955	18.1
95.08606	4.4
97.02880	3.7
97.06537	3.7
98.09675	2.6
99.04430	5.4
105.07014	4.3
107.08588	13.4
108.08141	3.2
108.39522	1.9
109.06522	6.0
109.10142	9.2
111.04425	6.2
111.08064	2.5
115.07553	5.3
119.08582	3.3
119.86689	1.9
121.02854	6.2
121.10122	16.9
123.11697	3.1
125.09634	3.1
127.03880	3.7
127.44357	1.8
129.05479	17.5
131.08549	3.3
133.10107	13.4
135.08014	3.1
143.08546	3.2
145.10069	3.5
147.06511	8.3
147.11665	3.9
149.13187	3.8
151.11154	21.2
153.09113	5.5
161.04680	1.8
163.14828	4.0
164.07089	1.8
167.14310	18.8
173.13248	6.1
175.14784	3.3
176.84033	1.8
191.14308	7.4
209.15337	100.0
210.15733	2.4
227.16425	4.9
242.85583	2.1
255.04424	2.8
256.04626	2.3
265.76166	2.0
301.17786	2.2
319.19058	3.4
328.27469	2.1
348.06326	2.0
376.24890	2.1
390.26331	7.1
408.27530	22.4
552.31604	8.4
570.32941	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01864	6.6
55.05504	2.3
57.03426	4.3
58.06591	1.9
61.02909	4.4
67.05505	6.6
69.03423	21.4
69.07051	7.8
69.11755	2.3
69.12151	7.2
69.44067	1.1
71.04994	5.2
73.02904	5.0
78.52691	1.2
79.05485	5.2
81.03400	16.8
81.07046	20.5
83.08618	3.1
85.02891	68.8
87.00336	2.2
87.00819	25.1
87.04466	1.4
91.03922	1.5
91.05482	5.2
93.07024	13.5
95.04971	1.7
95.08591	22.5
97.02876	20.9
97.10148	2.7
98.09675	1.1
98.22691	2.5
99.04447	9.5
100.83948	1.2
105.01848	32.8
105.02531	2.2
105.03368	8.1
105.07011	29.4
107.08569	15.2
108.04463	2.1
109.02863	22.0
109.10148	19.5
111.11684	3.2
115.03927	2.3
117.01852	3.3
117.07011	4.5
119.08574	15.2
121.10114	14.3
123.11710	5.1
125.13249	1.7
127.03900	47.6
127.04849	2.4
128.04187	1.3
129.01805	2.8
130.52884	1.1
131.08549	11.2
133.10110	13.6
135.11665	8.1
143.08537	3.9
145.04935	23.4
145.10132	12.2
147.02852	3.4
147.11658	13.4
149.13226	8.8
153.12732	4.9
155.90424	1.5
157.10114	3.8
159.02852	12.0
159.11655	14.4
161.13235	11.6
163.14867	2.9
164.32011	1.4
171.11676	4.0
173.13246	13.0
175.14787	8.5
185.13242	3.9
187.14844	7.7
189.03946	2.1
189.16394	4.4
199.14810	4.9
201.16350	2.3
213.03958	2.6
213.16348	9.7
215.17975	1.5
227.18008	6.0
229.19525	3.9
231.04996	16.9
231.17484	1.4
237.12981	1.3
241.19478	2.2
243.21053	4.1
248.07591	2.1
249.06097	5.1
259.24249	2.8
267.20996	6.3
269.22586	100.0
270.23007	3.2
271.24127	4.5
287.23639	42.1
288.24051	1.8
297.22134	5.4
305.24713	15.8
359.46136	1.2
395.25623	2.1
416.26990	2.1
446.22668	1.4
447.28757	1.5
448.29059	1.6
478.25903	1.5
499.27032	6.4
517.27734	4.8
570.30786	30.3
571.30792	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92271	0.3
53.03954	0.4
57.03436	0.8
58.06594	43.5
61.02915	1.2
67.05495	0.8
69.03426	3.0
70.03181	0.6
70.03497	0.4
71.04984	1.5
72.08216	0.5
73.02897	1.0
79.05466	0.6
81.03407	0.9
81.07053	0.5
84.08141	0.6
85.02902	3.2
87.04480	0.4
91.03928	0.4
91.05488	1.1
93.07065	0.7
95.04978	0.5
97.02904	1.4
98.09698	0.7
98.23386	0.6
108.08116	0.5
117.07027	0.6
127.03900	0.7
129.06984	0.9
131.08565	1.2
143.08592	0.8
145.10127	0.7
155.08568	1.0
165.07057	0.5
167.08615	0.8
169.10091	0.7
171.11630	0.5
178.07826	0.5
179.08577	0.7
181.10155	1.5
193.10184	0.8
195.11723	1.1
197.13252	0.6
201.42287	0.4
207.11723	0.6
219.11720	0.5
221.13326	0.5
223.14845	1.1
233.13246	1.2
235.14832	0.6
239.14014	0.4
251.14319	1.8
283.16888	1.1
326.21164	0.6
330.24274	0.5
340.22803	0.6
344.22388	0.5
358.23682	2.2
372.25549	1.4
376.24664	1.0
380.86404	0.4
390.26346	6.1
390.31131	0.5
408.27377	1.9
501.72308	0.4
520.18610	0.6
534.27161	0.5
570.32660	100.0
571.33118	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	570.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05502	0.7
56.05031	3.1
57.03421	1.3
58.06596	4.7
61.02922	1.5
67.05493	1.2
69.03419	4.6
69.07061	1.0
69.61800	1.6
70.06594	1.3
71.04996	1.7
72.08139	1.9
73.02911	1.1
75.04470	0.8
79.05475	1.0
80.05034	0.7
81.03416	1.4
81.07030	0.9
82.06572	1.0
84.08144	1.2
85.02897	7.5
85.06492	0.4
87.04451	0.6
91.05483	1.5
93.07034	1.4
95.04945	0.6
95.08607	1.2
96.08125	1.9
96.08649	0.4
97.02872	2.4
97.06463	0.4
98.09673	1.0
98.23437	0.7
99.04462	0.5
99.08064	0.4
102.09193	1.4
105.07034	1.1
107.08594	0.6
108.08089	5.0
108.08741	0.5
109.02879	0.5
109.10158	0.5
112.07582	0.7
114.09126	1.9
117.07003	0.7
119.05008	0.3
119.08576	1.1
122.09674	1.5
124.11288	0.6
127.03916	1.3
128.06274	0.7
129.06996	1.3
131.08591	1.0
133.10147	1.0
135.08014	0.4
135.11717	1.2
139.11195	1.2
141.07007	0.5
143.08513	1.8
145.10115	0.7
148.11227	0.5
154.12268	1.6
155.08540	0.8
157.06537	0.6
157.10085	0.8
159.08035	0.6
167.08586	1.3
171.08046	0.5
172.11198	0.5
174.12848	0.9
175.14821	0.8
179.08583	0.7
181.10126	0.8
193.10126	0.5
193.15869	0.8
195.11757	1.3
197.09732	0.4
197.13269	0.5
199.14818	0.5
209.13290	0.9
214.58476	0.4
214.73116	0.5
225.12747	0.5
227.14359	0.8
241.14415	1.3
245.15341	0.9
251.14574	0.5
269.15332	0.5
277.18121	0.5
301.18134	0.5
308.19870	0.4
326.21204	1.3
330.20761	0.8
358.23593	3.4
376.24930	1.2
390.21951	0.6
390.26419	6.5
408.22485	0.6
408.27490	10.6
409.28168	0.5
492.25806	2.3
506.27499	1.3
520.28857	1.8
524.28406	0.9
552.31622	26.5
553.32068	1.2
570.32690	100.0
571.23810	0.5
571.32935	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	570.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
55.05505	0.7
56.05020	1.8
57.03431	1.2
58.06588	8.7
61.02896	1.6
67.05483	1.2
69.03416	6.2
70.06582	0.9
71.04990	1.5
71.45851	0.7
72.08150	1.5
73.02914	2.3
77.68355	0.7
79.05499	1.2
81.03415	2.2
81.78021	0.6
84.08126	2.4
85.02891	8.3
87.04468	1.5
91.05475	2.2
93.07023	2.4
94.24150	0.6
95.04943	1.3
95.08591	0.7
97.02904	3.4
98.09666	3.2
99.04446	1.2
102.09164	3.0
105.07030	2.2
107.08598	0.8
107.27497	0.7
108.08121	4.3
109.02850	1.0
109.10168	0.9
117.07014	1.5
119.08559	1.3
121.06461	0.7
122.09665	1.6
124.11204	0.8
127.03936	1.5
128.10712	1.4
129.07008	1.6
131.08542	1.8
133.06548	0.8
133.10162	0.7
141.06990	1.1
143.08585	1.4
145.04962	1.0
145.10115	1.4
154.12335	1.1
155.08517	0.7
167.08563	1.3
169.10129	0.9
179.08516	1.1
181.10110	1.0
197.13235	1.2
209.15283	6.0
225.12706	1.1
227.16444	0.7
243.13783	0.8
261.96838	0.7
326.21219	0.8
358.23782	4.5
365.14392	0.7
376.24841	7.6
390.26349	12.3
392.97440	0.7
408.27368	48.7
409.27792	1.2
520.29504	0.8
524.28583	1.6
552.31677	20.7
553.31976	1.0
570.32690	100.0
571.32971	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01860	6.5
55.05288	2.2
55.05508	23.4
55.10558	1.7
57.03423	8.4
59.04977	4.7
62.52253	2.0
65.03950	2.6
67.05493	99.8
69.03417	3.7
69.07047	15.2
69.61845	8.3
71.04970	5.9
79.05491	19.9
81.03399	5.9
81.07046	36.8
83.04976	2.5
83.08609	11.5
85.06532	3.2
91.05471	20.2
93.07035	15.7
95.04967	11.9
95.08606	13.1
95.15922	2.0
95.76256	2.4
97.06487	5.1
97.10169	6.8
98.23355	4.2
99.00820	2.5
105.07006	11.7
107.04940	7.8
107.08589	12.3
109.02877	3.6
109.06528	4.2
109.10134	80.0
111.04415	3.6
111.08054	3.7
115.05458	2.5
117.07011	8.7
119.08566	18.3
121.06443	4.4
123.02435	1.8
123.04404	3.4
123.08089	3.4
125.09627	6.2
129.06984	2.4
131.08548	5.4
133.10123	9.4
135.08026	12.3
137.09598	5.9
145.06490	3.6
145.10133	3.5
149.09653	3.5
155.10631	4.9
159.07976	3.1
159.11688	2.9
161.09634	5.3
163.07549	6.3
163.11200	2.7
171.08020	2.2
173.09520	3.2
173.11719	24.8
173.13089	3.1
189.09119	3.7
189.11105	4.5
192.61659	2.2
193.12189	14.9
208.49913	2.6
210.25674	2.8
211.13182	3.0
227.12772	4.4
229.14313	100.0
261.18488	3.7
265.75980	2.4
271.16754	4.5
289.17938	18.7
307.19083	4.6
363.21561	7.0
381.22665	48.8
382.23105	3.7
517.31433	8.8
535.32629	66.7
570.30072	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	570.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.0
57.07071	57.6
59.63415	0.8
66.45407	0.9
67.05493	3.5
69.07069	10.0
69.39082	4.3
71.05023	1.2
71.08622	51.8
72.37389	1.0
73.06538	5.9
79.05475	2.9
79.28884	0.9
81.07045	3.6
82.70672	0.8
83.08612	3.4
85.10172	33.3
87.04458	5.3
87.04943	1.0
89.06021	100.0
91.05479	2.7
93.07035	1.8
95.08578	1.5
97.10169	3.1
98.23503	1.1
99.11711	8.0
105.07009	1.7
107.07084	2.3
109.10135	2.1
111.11705	4.9
113.13267	7.2
117.09120	5.2
121.10094	1.6
125.13251	2.8
127.14818	4.3
130.08574	1.7
131.07014	1.7
133.08589	72.2
139.33202	0.9
139.41345	1.0
142.33159	0.9
161.11681	2.1
175.09692	1.2
177.11194	28.3
183.21054	1.0
195.12292	0.9
221.13846	4.6
227.23763	1.4
239.14798	2.3
271.26279	3.8
273.18344	1.1
275.20035	1.0
283.17499	2.2
291.19656	1.9
315.28909	3.4
327.20013	3.2
371.22681	12.8
387.10202	1.0
553.43176	10.4
570.45880	1.3
571.35699	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	572.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
58.06580	0.6
66.77424	0.2
67.05479	0.4
69.03416	0.4
69.62035	0.3
70.06573	0.5
71.04972	0.5
71.08305	0.3
72.52285	0.3
74.06059	0.4
75.04463	1.2
79.05490	0.7
81.03397	0.5
82.06577	0.4
83.04947	0.3
84.08143	0.4
85.02886	0.9
87.04467	0.6
88.15176	0.3
91.05466	1.5
93.07030	0.4
94.06540	1.7
95.04931	0.6
96.08107	0.9
96.08675	0.3
97.02926	0.4
103.05483	0.6
105.03429	0.4
105.06998	2.1
107.04935	0.5
107.07341	0.5
108.08104	3.0
109.06513	0.4
111.04425	0.7
115.05451	0.9
117.06998	1.2
119.04915	0.8
119.08600	0.4
120.08110	0.6
121.02861	0.3
121.06491	0.8
121.08894	0.5
123.04431	0.3
124.07558	0.5
124.34147	0.3
129.06984	2.1
131.04945	0.6
131.07275	0.6
131.08569	0.8
132.08087	0.4
133.02795	0.3
133.06480	0.4
134.09683	0.3
135.08038	0.4
136.07539	0.4
137.05954	1.4
138.09108	1.5
139.03876	0.3
140.10681	0.5
141.06967	1.3
144.08054	1.5
145.06435	1.7
145.08858	0.4
146.09608	1.5
147.04419	0.5
147.08046	0.6
148.07625	0.4
150.09114	0.4
152.06137	0.3
153.05507	0.4
153.07004	0.9
155.08481	0.9
157.06520	0.8
157.08826	0.3
158.07278	0.3
158.09630	0.9
159.04341	0.3
159.08051	0.9
160.07545	0.4
161.05995	0.7
162.09166	0.4
163.03923	0.6
164.10681	0.5
165.07040	0.8
166.07718	0.5
167.08562	1.2
168.09308	0.3
169.06488	0.8
169.10164	0.8
170.09607	0.7
171.06680	0.3
171.08046	0.9
171.10413	0.5
172.11255	0.5
174.09160	0.5
176.10706	0.4
177.05461	0.6
178.07664	1.4
179.08507	1.9
181.06502	0.6
181.10146	0.9
182.09616	0.5
183.08028	0.9
185.09610	0.5
188.10709	0.6
189.06992	0.4
190.07793	0.8
191.08549	0.9
193.10115	1.3
194.07397	0.3
195.07985	1.1
195.11835	0.4
197.06024	0.3
197.09639	1.4
198.09267	0.5
199.07532	0.5
200.10672	1.2
202.07794	0.7
203.08524	1.3
205.10118	1.8
206.07169	0.5
207.08003	2.6
208.08716	0.7
209.09583	1.5
211.07570	0.8
211.11212	0.7
213.09178	0.5
218.07257	0.4
219.08081	0.9
220.08847	0.5
221.09589	2.4
222.11194	0.6
223.07565	0.9
223.11261	0.7
224.10742	0.3
225.09102	1.4
227.10725	0.5
231.08008	0.8
231.10242	0.4
233.09569	1.4
235.07477	1.4
235.11237	0.3
236.10568	0.3
237.09106	1.2
238.09938	0.4
239.10611	1.2
241.08578	0.5
248.10606	0.3
249.09070	2.1
250.12257	0.5
251.10765	0.9
253.08591	1.0
253.12157	0.3
254.11668	0.4
256.13333	0.3
257.11786	0.5
261.09106	0.6
263.10562	0.6
264.13901	0.4
265.12161	0.3
266.11743	0.5
267.10092	1.4
268.13266	0.6
271.09656	0.4
277.08658	1.2
278.11771	0.4
281.11786	0.7
282.14764	0.4
285.11252	0.4
292.13290	0.5
295.09604	0.7
296.12830	0.8
300.12119	0.3
309.11160	0.8
310.14447	0.9
316.15335	0.4
320.12775	0.4
326.13803	0.3
327.12201	0.7
338.13800	0.9
342.16867	2.0
344.14902	0.6
352.15460	0.3
356.14932	0.5
360.18002	0.8
370.16486	1.5
374.19550	1.9
376.17545	0.9
384.17987	1.1
388.17343	0.5
392.20569	3.6
402.18988	4.3
408.19931	0.7
416.20697	0.3
420.19876	1.3
434.21680	7.6
435.21896	0.3
452.22696	6.6
462.21075	0.9
494.23843	4.6
512.24829	14.7
513.24530	0.5
572.26898	100.0
573.27277	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25248	0.3
57.03434	0.5
58.06586	0.7
63.64898	0.4
65.03939	0.8
67.05486	0.7
67.05914	0.4
69.03409	0.9
69.23228	1.1
69.23638	1.1
70.06571	1.1
71.04971	0.5
73.02894	0.4
74.06053	1.1
79.05473	0.7
81.03410	0.8
82.06577	0.5
84.29848	0.3
85.02903	2.0
87.04477	0.7
91.05470	1.6
93.03363	0.4
94.06558	1.5
95.04940	2.1
97.02882	1.5
102.15929	0.4
103.05453	0.4
105.07019	0.9
107.04958	0.8
107.07323	1.2
108.08089	1.5
109.02848	0.7
111.04425	1.1
114.99905	0.4
115.03870	0.5
115.05419	0.7
117.06941	1.0
117.44179	0.3
119.08575	0.5
121.02823	0.6
121.06526	0.8
122.06054	0.7
123.04414	0.7
124.07527	0.5
125.02326	0.7
125.05978	1.0
128.06226	1.4
129.06981	4.8
131.07361	0.9
131.08546	2.2
132.08067	0.5
133.06352	0.4
135.04489	0.4
135.07985	2.3
137.05980	1.2
139.03894	0.9
141.06978	1.4
144.08076	1.5
145.06487	1.1
145.08852	1.0
146.09641	2.4
147.08032	0.7
149.02354	0.5
153.05469	0.7
153.06963	0.8
155.04884	0.6
155.07259	0.4
155.08551	1.8
157.06479	0.7
157.08864	0.5
158.09663	0.7
159.08043	1.7
161.09596	1.0
165.06998	0.8
166.08717	1.2
166.12263	1.1
167.08545	0.8
168.10196	1.8
169.06511	1.3
169.10120	0.6
170.09610	1.9
171.08046	1.0
171.10449	1.0
172.11212	1.8
174.09169	0.4
178.07776	1.3
179.08516	2.3
181.10081	1.1
182.09641	0.5
183.08006	0.8
185.09607	0.7
186.09079	0.6
188.10661	0.8
188.55283	0.4
190.07785	0.5
193.10135	1.3
194.09686	0.8
195.08054	1.4
196.11188	0.8
197.09706	0.5
201.09166	0.4
202.07901	0.5
202.12302	1.4
203.08530	0.9
205.10170	0.9
206.11551	0.5
207.08084	1.8
208.08875	0.6
209.09587	1.2
211.07521	0.4
211.11194	0.6
214.12224	0.7
219.08090	0.5
220.10953	0.6
221.09663	0.8
223.11209	0.4
225.09039	0.9
225.14738	0.7
226.12312	0.8
231.08037	0.7
233.09621	1.0
239.10739	0.5
247.07576	0.5
249.09007	1.0
250.12286	0.5
253.08479	0.5
256.13440	0.5
309.11273	0.5
327.12286	0.5
328.19006	4.9
341.31583	0.4
346.20093	10.0
352.15472	0.5
362.15720	0.8
370.16553	0.8
402.19235	0.6
406.18668	3.8
407.12418	0.8
420.20139	3.5
430.18622	0.6
438.21201	0.5
448.19345	0.8
480.22241	13.3
512.24969	3.4
540.24231	0.7
554.29169	0.5
572.26892	100.0
573.27258	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
57.03429	0.5
57.07068	0.5
57.11390	0.3
61.51232	0.2
65.03934	0.5
67.05482	0.4
67.38234	0.3
69.03425	2.0
69.40642	1.4
69.61898	0.3
70.06578	0.7
70.70573	0.3
71.04990	0.4
74.06062	0.8
75.04468	0.5
79.05475	0.3
81.03414	0.8
83.04958	0.5
85.02888	2.5
87.04467	1.1
91.05459	1.5
94.06559	1.0
95.04984	1.2
97.02867	1.9
98.97579	0.8
100.07619	0.6
101.57246	0.3
105.07040	0.6
107.04943	0.4
107.07337	0.8
108.08117	1.4
109.02869	0.7
110.97647	0.3
111.04453	0.8
115.03923	1.0
115.05424	0.6
117.07026	0.8
119.04929	0.4
121.02850	0.6
121.06503	0.7
122.06006	0.5
123.04420	1.0
124.07600	0.6
125.02362	0.9
125.06019	0.7
128.06232	1.3
129.06990	4.6
131.04971	0.4
131.07373	0.6
131.08560	1.6
132.08121	0.3
133.04955	0.3
137.06009	0.4
138.09143	0.5
139.03891	0.6
141.07007	1.5
142.07788	0.3
144.05658	0.4
144.08057	1.8
145.06474	0.9
145.08878	1.1
146.09608	3.1
147.08067	0.6
149.02367	0.6
153.05411	0.5
153.06973	0.5
155.04913	0.7
155.08586	1.2
157.06476	1.2
157.08871	0.5
158.09694	0.8
158.99661	0.5
159.08051	1.7
161.09648	0.9
165.07002	1.3
166.08795	1.4
167.03476	0.5
167.08545	0.9
168.10156	1.5
169.06483	1.4
169.08739	0.4
170.09613	1.7
171.08051	0.7
171.10391	0.7
172.11176	2.5
173.09645	0.6
175.07503	0.4
178.07780	1.1
179.08507	1.9
181.06522	0.4
181.10046	0.6
182.09595	0.6
183.08051	0.8
184.11118	0.5
185.03903	0.9
185.06029	0.8
185.09657	0.5
186.08987	0.4
187.07536	0.6
187.09850	0.5
188.10716	1.3
190.07706	0.5
191.08580	0.8
193.10086	1.5
194.07167	0.3
194.09645	0.4
195.08060	0.8
196.11220	0.9
197.09631	0.6
198.09128	0.5
200.10768	0.6
201.32455	0.3
201.34503	0.3
202.12265	1.1
203.08586	0.9
204.06523	0.7
205.10130	0.8
207.07967	1.6
208.08800	0.7
209.09605	1.0
211.07649	0.4
212.10728	0.7
213.11409	0.3
214.12259	0.6
216.10071	0.6
219.08029	0.7
220.08781	0.4
221.09636	1.3
222.12689	0.3
223.11272	0.6
225.09073	0.9
226.12375	0.5
228.10098	0.4
231.08058	0.5
233.09657	0.8
235.11208	0.4
236.10789	0.5
237.02876	0.5
237.09082	0.6
238.12221	0.4
242.11699	0.4
249.09151	0.7
251.10591	0.4
253.08673	0.3
259.07410	0.5
261.09164	0.5
267.10010	0.4
277.08524	0.5
278.11807	0.5
281.11493	0.3
285.09116	0.5
293.08899	1.4
322.12845	0.9
327.12137	0.5
330.10712	0.5
338.13913	0.6
362.15997	0.8
370.16360	0.7
388.15051	1.2
388.18539	0.4
388.64899	0.4
394.18472	0.5
406.18481	3.3
407.12085	2.0
420.20203	2.8
425.13040	0.4
430.18927	0.7
438.21140	1.0
448.20026	0.7
462.21207	0.4
470.04688	0.3
480.15372	0.7
480.22208	12.0
481.22577	1.0
512.24774	2.5
540.24243	0.7
547.88318	0.3
572.26898	100.0
573.27136	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	572.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
58.06599	1.0
61.94655	0.6
67.05501	0.9
69.03433	1.0
71.13107	0.8
71.44189	0.6
75.04468	1.1
79.05484	1.2
81.03395	1.0
85.02895	1.7
87.04470	0.7
91.05463	1.7
93.07076	1.0
94.06557	1.4
95.04957	1.4
96.08115	0.6
97.02843	0.8
105.07016	2.3
107.04944	0.7
108.08109	3.4
109.06509	1.1
112.07638	0.6
115.05457	0.9
117.07012	1.7
123.04424	1.0
124.07553	0.7
125.05963	0.8
129.06989	1.7
131.04884	0.6
131.08507	0.7
133.06487	0.6
134.77602	0.6
137.05978	2.0
138.09135	1.9
141.06950	1.3
144.08055	1.0
145.06450	2.7
146.09639	1.5
147.04387	1.0
153.06885	0.8
155.08498	0.7
157.06505	1.4
158.09659	1.0
163.03915	0.7
165.06972	0.9
167.08542	1.1
170.09671	0.8
171.08040	1.5
178.07712	1.9
179.08563	2.1
183.08092	1.2
190.07738	0.9
193.10161	2.0
195.08031	1.3
197.09677	0.7
199.13275	1.3
200.10733	0.8
202.07874	0.8
203.08566	0.8
205.10071	1.0
207.08055	1.7
209.09543	1.6
211.07536	0.9
213.08984	0.8
215.08701	0.7
219.08095	0.9
221.09668	2.1
223.07607	1.6
223.11279	1.1
225.09195	1.1
229.08504	0.6
231.08047	1.2
235.07555	1.3
237.09094	1.0
239.10611	1.0
248.10654	0.7
249.09102	1.5
250.12335	0.7
251.10582	0.8
253.08542	1.2
267.10165	1.2
277.08585	0.9
281.11954	0.8
309.11264	0.9
342.16989	1.3
351.04465	0.9
356.27713	0.7
370.16379	2.0
374.19662	1.9
376.17160	0.8
384.18271	1.0
392.20520	4.6
402.19055	4.5
410.21863	0.8
420.20215	1.7
434.21597	7.3
452.22687	5.6
456.93402	0.6
494.23593	4.4
512.24835	14.8
513.24951	0.8
536.82794	0.7
572.26819	100.0
572.89130	0.8
573.27441	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	572.285
Annotation	Glomecidin
Peak:m/z	Relative Intensity
50.92259	0.6
51.02368	0.7
53.03934	3.1
56.05024	1.2
57.39104	0.6
58.06604	3.6
59.04992	0.7
64.90171	0.6
67.05484	0.9
71.04983	1.3
75.04470	12.8
77.03927	2.2
79.05038	1.0
79.05483	16.4
79.66273	0.7
81.03397	0.7
81.07046	14.8
82.06547	1.0
84.08129	0.8
85.02885	1.6
85.06511	0.9
91.05462	1.7
94.04166	1.3
94.06553	2.7
95.04955	8.9
96.05730	1.7
97.02848	0.7
101.06006	21.9
105.03379	37.5
105.04421	4.3
105.07013	0.9
107.04933	2.5
108.05256	1.1
108.08093	2.8
109.06500	9.0
111.08065	63.6
115.05426	0.6
117.07011	0.8
117.81066	0.6
119.04925	0.7
120.08073	1.0
121.06489	0.7
122.09660	1.5
129.06993	1.0
131.08542	1.2
133.02826	0.9
133.08842	1.1
134.09612	1.9
135.10370	0.7
137.06018	0.9
138.09073	0.9
141.06992	0.8
141.09087	9.6
144.08017	0.7
155.08429	0.6
157.08788	0.9
158.09627	2.2
160.11180	0.9
164.10706	2.6
165.06956	0.9
167.08513	1.3
171.08023	0.9
172.11179	0.8
176.10637	0.7
179.08417	0.8
181.10223	0.9
186.09064	0.7
190.12190	2.9
193.10165	1.1
198.09161	0.7
200.10703	0.7
202.07593	0.7
205.10135	0.8
209.12175	0.7
212.10854	0.9
214.12135	0.9
222.14867	0.7
224.10678	0.7
226.12119	1.0
238.12053	0.7
254.11565	0.7
265.06464	0.7
266.11777	1.2
298.14267	0.9
300.15988	0.7
386.19821	0.7
400.21210	0.9
408.17645	0.9
418.22150	1.0
420.18027	2.2
422.19467	1.6
450.24414	0.7
452.20602	3.0
462.19064	1.2
508.23010	1.9
522.24890	2.1
540.25787	7.6
554.27454	9.4
571.30756	1.3
572.28497	100.0
573.28772	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	572.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61005	0.9
53.03944	1.2
57.03439	2.2
58.06613	1.2
60.08278	1.1
61.02923	2.4
67.05508	1.2
69.03423	11.0
70.06583	4.8
71.05009	3.9
73.02920	2.7
74.06087	2.0
75.04480	2.1
79.05506	3.1
80.05013	6.2
81.03427	5.7
81.07069	2.2
85.02898	20.4
86.06055	5.5
87.04480	2.7
91.05468	5.7
93.05849	1.1
93.07059	4.5
94.06583	3.1
95.04984	1.5
97.02867	8.6
99.04478	1.7
100.07702	1.3
105.07001	4.7
107.04929	1.2
109.02919	3.0
109.06560	1.1
112.07636	3.8
115.05480	1.3
117.07079	2.9
119.04990	1.2
119.08564	1.2
126.09212	1.5
127.03983	3.1
128.06296	1.3
129.06998	5.7
131.08615	4.0
135.08066	1.0
136.07574	1.0
139.05598	0.9
140.07106	1.4
141.07051	2.3
145.04938	1.2
145.16394	0.9
147.08134	1.7
153.07083	1.3
155.08606	3.5
157.08992	1.0
157.10152	1.2
158.09721	2.8
159.08080	1.9
165.07065	2.0
167.08681	3.4
169.06589	1.1
169.10155	2.1
171.11743	1.5
173.09656	1.2
179.08566	3.6
181.10210	2.7
183.08109	1.7
183.11774	1.2
191.08585	2.1
192.09377	1.7
193.10214	2.9
195.11807	3.6
197.09612	1.2
197.13275	2.4
203.08620	1.2
204.09415	1.2
205.10260	2.9
207.11839	3.6
219.11781	1.2
221.09807	1.6
221.13376	3.6
223.11276	1.1
225.12877	2.4
243.13934	1.4
249.12837	1.4
250.16151	1.6
267.13931	3.6
275.16553	1.2
282.15198	1.4
296.16403	4.9
298.18097	1.5
299.16788	1.2
310.18015	2.0
314.17514	2.1
328.19055	9.6
342.20859	3.3
346.20294	4.4
360.21625	27.5
374.23199	5.7
378.22684	20.7
378.26843	1.4
392.24228	34.5
393.24722	2.3
410.25314	35.8
411.26086	2.0
522.27277	2.3
540.27869	2.5
554.29413	17.5
572.30817	100.0
573.32312	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	572.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
56.05026	3.5
57.02588	0.5
58.06594	8.0
59.04997	0.5
67.05499	0.7
68.67578	0.4
69.12906	1.1
69.13309	1.7
71.04973	0.9
72.08150	1.0
75.04485	0.7
77.03931	1.1
79.05495	1.3
80.05002	0.7
81.52345	0.4
83.86642	0.4
84.08140	0.9
84.64468	0.4
85.02893	0.5
91.05491	1.7
93.07063	0.7
95.04974	4.1
98.09689	0.8
102.09161	0.8
105.03377	30.9
105.04527	1.6
105.07032	1.1
107.04947	0.8
108.08111	4.5
108.30072	0.4
109.06519	1.1
111.08041	0.5
115.05432	0.7
117.07016	1.0
121.06506	0.5
122.09681	2.0
124.11260	0.7
128.06201	0.7
129.07018	1.6
131.08597	0.8
140.10791	0.5
141.06979	1.1
145.10089	0.6
146.09676	0.7
149.33150	0.5
152.10686	0.9
153.06984	0.6
154.12320	1.4
155.08566	1.4
157.10112	0.7
159.08022	0.5
165.07033	1.2
167.08578	1.6
168.21547	0.4
172.11330	0.5
173.09763	0.5
178.07867	0.6
179.08614	0.6
181.10184	1.2
184.11240	0.7
191.08554	0.6
193.10199	0.9
198.12906	0.5
200.76033	0.4
203.08682	0.8
204.09387	0.9
205.10117	1.2
207.11865	0.5
219.11723	0.8
221.13257	0.6
230.84152	0.4
231.11758	0.7
235.10948	0.5
247.00885	0.4
279.13770	0.4
336.19778	0.7
368.22192	0.5
386.23050	0.8
400.25223	0.6
418.25845	0.8
450.28455	1.0
452.30298	0.6
462.22571	0.5
476.24191	0.8
480.24030	0.7
490.26175	0.9
508.26807	2.0
540.29504	12.3
541.29980	0.9
572.32141	100.0
573.32648	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.6
56.87349	0.2
58.06591	8.5
59.04978	0.5
67.05507	0.6
70.06581	0.5
70.17368	0.3
71.04984	1.5
72.08147	3.0
75.04474	1.3
79.05467	1.7
80.05019	0.6
81.07048	0.5
83.04987	0.4
84.08141	0.7
85.02891	0.4
85.06514	0.4
88.07606	0.4
91.05467	3.8
91.58878	0.3
93.07046	0.6
95.04952	1.3
96.08166	0.3
97.06506	0.4
98.09681	1.0
102.09167	1.9
103.05469	0.5
105.03369	4.1
105.04497	0.5
105.07009	1.8
107.04951	1.4
108.08097	5.0
109.06516	0.5
110.09658	0.3
111.08120	0.5
115.05447	0.7
116.92441	0.3
117.06998	2.4
119.04906	0.3
119.08588	0.4
121.06467	2.0
121.08879	0.3
122.09695	1.0
124.11205	0.6
125.05981	0.4
128.06207	0.8
128.10686	0.9
129.06973	2.1
131.04945	0.4
131.08546	1.6
133.06473	0.7
134.09639	0.6
135.08063	0.5
136.11183	0.5
137.08368	0.4
138.09154	0.8
141.06960	1.8
145.06479	0.6
146.09605	0.4
147.08047	1.1
147.10405	0.5
148.11185	0.4
149.05933	0.4
150.09198	0.4
151.07574	0.3
152.10657	0.8
153.06931	0.5
154.07835	0.4
154.12259	0.7
155.08536	1.4
157.06523	0.4
157.10127	0.4
158.09651	1.2
159.08055	0.9
159.10361	0.5
160.11238	1.2
165.06995	1.5
166.07791	0.5
167.07224	0.4
167.08463	1.4
169.10170	0.6
171.08072	0.7
171.10370	0.3
172.11195	0.9
173.09621	0.4
173.12030	0.4
176.10687	0.6
178.07796	0.9
178.12289	0.3
179.08484	1.8
181.06497	0.3
181.10139	1.0
183.08118	0.4
184.11269	0.4
185.09624	0.8
186.12735	0.5
188.10754	1.0
190.07817	0.4
190.12344	0.5
191.08562	1.1
192.09341	0.7
193.10112	1.2
195.08070	0.8
195.11725	0.8
197.09644	0.8
198.08949	0.3
202.07721	0.6
202.12369	0.3
203.08417	1.4
204.09387	1.0
205.10072	2.1
206.10878	0.4
207.08086	0.4
207.11818	1.0
208.08815	0.3
208.11194	0.3
209.09540	0.4
209.13377	0.3
211.11082	0.5
212.14487	0.3
215.08614	0.7
215.10669	0.3
216.09363	1.2
217.10121	1.0
218.10851	0.6
219.08023	0.5
219.11708	1.3
221.09612	0.6
221.13258	0.5
222.12778	0.7
223.11217	0.7
224.14282	0.3
229.10120	0.6
231.11757	0.9
233.09534	0.3
233.13297	0.6
234.10345	0.5
235.11246	0.7
236.14267	0.5
237.12712	1.0
239.14412	0.3
246.12744	0.3
247.11240	0.7
248.14410	0.5
249.12738	0.6
252.13800	0.3
262.15744	0.4
265.12247	0.6
267.13788	0.4
268.16760	0.3
276.17575	0.3
277.12265	0.5
278.15372	0.5
279.13742	0.7
292.16925	0.5
298.18210	0.4
304.17044	0.6
308.16382	0.7
310.17801	0.7
322.18140	0.7
324.19336	0.6
326.17606	0.8
336.19592	0.9
340.19070	0.4
342.20523	0.7
354.20615	2.0
358.20053	1.6
368.22153	0.8
386.23193	11.5
387.23590	0.3
389.51080	0.3
390.22760	0.8
400.24667	1.8
418.25809	34.6
419.26169	1.4
432.27350	0.4
450.28439	28.9
451.28882	1.1
540.29767	1.5
572.32092	100.0
573.32422	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	572.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57687	0.4
57.07066	6.1
58.06617	0.5
69.16618	1.9
70.06584	0.7
74.06065	1.3
74.64957	0.4
79.05476	0.7
81.07056	0.6
91.05485	1.6
93.07043	0.8
94.06565	1.8
95.04969	0.8
95.08603	0.5
96.08096	0.6
98.06032	0.6
98.22600	0.7
105.03391	0.7
105.07009	2.4
107.07357	0.5
108.08128	0.8
108.18338	0.4
112.02619	0.5
115.05411	0.8
116.07066	0.5
128.06178	0.6
129.06987	1.3
131.08556	0.6
132.08081	1.6
134.09648	0.9
141.06964	0.5
144.08101	1.0
145.08836	0.7
145.10094	0.7
146.09669	1.3
147.08000	0.7
147.10411	0.6
148.11165	1.1
155.08540	1.5
157.08890	2.0
157.10080	0.5
158.09627	7.3
158.10825	0.6
159.08040	0.5
159.10426	0.5
160.11250	0.8
162.09225	0.5
165.07027	1.3
166.07797	0.7
167.08562	0.9
169.10083	1.3
174.09123	2.4
176.10713	0.7
178.07838	0.9
179.08556	1.4
180.09344	1.0
181.10146	2.0
183.11681	0.7
191.08537	0.8
192.09430	1.3
193.10175	1.9
195.11754	2.4
205.10063	1.2
206.10963	1.1
207.11717	1.1
209.13306	1.5
216.10204	0.8
219.11801	0.9
221.13310	1.4
223.11148	0.4
223.14868	0.6
229.10115	0.5
233.13223	1.3
235.14864	1.1
245.13216	0.5
250.15916	0.9
251.14413	0.8
252.13918	0.5
263.14227	0.8
264.17374	0.6
266.15475	1.2
266.18909	1.1
276.17496	1.5
292.16824	0.7
294.18463	3.5
304.16806	0.9
312.19559	1.0
322.17908	5.0
340.19080	2.4
354.20731	2.0
364.18872	0.9
382.20068	9.4
383.21045	0.6
396.25589	0.5
400.21005	1.1
424.24548	0.7
440.91406	0.5
456.27377	4.7
470.25305	2.6
484.26865	17.6
484.33740	1.0
485.27231	1.1
489.60013	0.5
512.77368	0.6
535.46991	0.5
572.32092	100.0
573.32391	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	572.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
53.95179	3.2
55.01861	7.6
55.05507	32.6
57.03415	13.8
58.38764	3.4
59.04995	6.3
67.05492	100.0
67.59927	3.2
69.03400	6.3
69.07043	14.9
71.04984	5.1
79.05481	36.2
81.03401	10.9
81.07041	70.7
83.04946	10.2
83.08601	15.9
91.05476	29.1
93.07034	23.3
95.04927	10.7
95.08591	17.6
97.06508	4.1
97.10162	19.0
99.08119	4.1
105.03373	8.5
105.07021	17.9
107.04929	7.7
107.08578	19.6
109.06489	12.4
109.10140	66.2
111.04416	9.3
111.08060	9.8
117.06996	9.5
117.64719	3.1
119.08556	22.6
119.90932	3.2
121.06479	8.3
121.10129	8.1
123.08033	15.2
125.09626	16.8
129.07004	8.3
131.08527	11.6
133.10098	8.5
135.07988	6.6
135.11661	6.9
137.09598	5.8
145.10103	11.3
147.08054	7.4
147.11678	4.8
149.09558	5.2
153.09056	4.5
154.51509	3.3
161.09605	7.3
163.11095	16.6
173.11636	21.8
175.11140	3.5
178.62402	4.1
181.12206	7.4
189.11165	14.5
191.10579	6.7
223.13264	4.8
227.12709	23.2
227.17900	4.6
229.14297	70.5
273.18488	26.6
291.19519	62.5
347.21854	5.2
365.23175	26.5
383.24075	6.9
455.25516	3.7
501.32065	4.1
519.33057	29.7
537.33820	11.4
572.31458	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	572.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.5
57.07068	28.0
58.30410	1.1
67.05499	3.8
69.07053	3.4
69.94544	3.0
71.08618	26.0
73.06540	8.4
79.05493	3.9
81.07053	3.5
83.08614	3.5
85.10168	27.7
87.04450	8.6
89.06018	100.0
91.05495	2.7
93.07008	2.0
95.04974	1.3
97.10149	1.6
98.22787	1.3
99.11695	3.5
101.03503	1.0
105.03436	1.2
105.07014	2.5
107.07079	3.0
107.08583	1.9
109.06490	1.1
109.10181	1.9
117.09139	7.2
119.08524	1.3
130.08638	1.7
131.07018	2.2
133.07573	2.6
133.08585	53.3
134.08882	1.6
141.16396	5.4
149.06000	1.2
175.09721	1.8
177.11201	18.0
185.18922	6.5
221.13806	3.7
229.21585	7.8
273.24219	6.1
283.17493	1.3
415.25400	3.5
555.40875	4.6
572.33441	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	572.9429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68291	0.2
56.96557	5.7
57.38504	0.3
62.02655	0.2
69.20919	1.5
71.95261	0.5
98.23553	0.5
98.97569	58.1
104.78490	0.2
116.87296	0.3
116.98606	37.9
117.98909	0.3
128.98698	0.3
130.93272	0.3
134.99640	13.3
140.00198	0.4
153.00648	1.3
154.93285	0.5
163.67665	0.3
172.94363	2.7
190.95386	3.1
197.95085	0.3
208.96465	1.0
214.95369	2.5
232.96413	7.9
232.98726	0.5
233.41064	0.3
246.22575	0.3
246.91119	0.8
250.97493	3.3
256.96375	14.7
258.99725	0.5
274.97467	100.0
275.97897	1.0
276.97791	0.3
277.00809	0.5
288.92206	0.6
292.98520	58.8
293.98959	0.9
297.99045	1.3
306.93359	0.7
316.00043	0.7
316.98837	0.6
330.93265	0.8
348.94324	0.6
362.89087	0.5
381.04474	0.3
404.89929	0.9
414.95309	27.3
415.95789	0.6
416.98621	0.3
432.96381	38.7
433.96909	0.6
446.91049	1.2
450.97504	6.1
455.97958	1.1
464.91870	0.3
488.92166	2.0
506.92450	0.3
530.92847	1.2
572.94159	9.8
573.93823	0.3
590.94904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.5
58.06595	6.7
58.96640	0.4
61.58378	0.4
67.05508	0.6
69.22501	1.5
69.22919	0.9
71.04976	0.8
72.08145	0.8
75.04482	0.5
79.05487	0.8
82.06547	0.5
84.08118	0.6
85.02888	0.7
88.07611	0.5
91.05466	2.4
95.04954	1.8
96.08106	0.4
97.06541	0.7
98.22760	0.8
103.05492	0.6
105.03374	7.2
105.04487	0.6
105.07044	2.4
107.04941	1.6
108.08131	1.3
112.07584	0.5
115.05430	1.0
117.07023	1.3
119.04961	0.5
119.08548	0.7
121.06486	2.3
121.08875	0.5
122.09645	0.7
128.06232	0.7
129.06984	3.0
130.06613	0.4
131.08600	1.0
135.08067	0.5
137.08376	0.5
141.06950	0.8
143.08572	0.9
145.06487	1.0
147.08063	1.7
147.10512	0.6
149.06093	0.5
150.09209	0.4
152.10695	1.2
153.06984	0.7
155.08585	1.8
158.09668	1.2
160.11232	2.8
163.11142	0.5
165.07004	1.5
165.09064	0.5
167.07092	0.7
167.08524	0.9
171.08054	1.1
172.11134	0.7
178.07750	0.9
179.08566	1.7
181.06427	0.5
181.10129	0.7
183.08018	0.7
184.11203	1.0
185.11923	0.4
186.12801	0.5
188.10707	0.9
190.12224	0.5
191.08551	1.4
192.09334	1.2
192.13776	0.5
193.10158	1.6
195.08057	0.6
197.09641	0.5
200.10602	0.4
202.07771	1.0
202.12230	0.7
203.08566	1.6
204.09396	0.9
205.10156	1.5
207.08177	0.6
207.11702	1.2
209.09645	0.7
211.11115	0.5
215.08606	0.6
217.10173	1.7
219.08084	0.5
219.11792	1.2
221.09476	0.9
225.12891	0.5
229.10222	0.7
233.09415	0.6
235.11263	1.8
237.12820	0.6
245.09673	0.7
247.11154	0.5
249.12775	0.7
253.12201	0.7
254.15402	0.5
263.10568	0.5
265.12167	0.5
266.15472	0.8
277.12259	0.6
278.15576	0.6
298.17886	0.5
308.16507	0.6
320.16464	0.8
326.17584	1.2
328.19046	0.6
330.20596	0.9
338.17471	0.9
340.18958	0.7
352.18909	1.9
358.20081	2.0
366.20670	0.9
370.20068	1.2
384.21631	2.8
388.21191	0.5
402.22690	6.6
416.24234	8.7
420.23828	1.3
434.25357	8.4
435.25449	0.6
452.26392	17.5
485.57266	0.5
501.36084	0.4
524.26337	1.0
542.26929	0.8
574.30035	100.0
575.30371	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	574.3004
Annotation	Apetaline B
Peak:m/z	Relative Intensity
51.02368	0.4
56.05012	0.9
57.64558	0.4
58.06591	4.4
61.02921	0.5
67.05492	0.5
71.01360	0.4
71.04985	0.5
77.03912	0.6
79.05484	1.3
82.06583	0.4
84.08118	1.0
85.02887	1.5
86.73860	0.3
88.07615	0.6
91.05463	1.6
93.03414	0.5
93.07014	0.3
95.04927	2.5
96.08106	0.9
97.06505	0.4
105.03378	14.0
105.04471	0.8
105.07006	1.1
107.04939	7.5
108.08111	1.5
109.06499	0.6
110.18391	0.4
112.07634	1.1
114.09145	0.3
115.05419	0.5
117.07002	0.8
119.04913	0.4
121.02876	0.8
121.06505	0.5
121.08881	1.9
122.09657	1.7
128.06171	1.2
128.10654	0.5
129.07001	2.2
131.07263	0.4
131.08568	1.3
131.20421	0.4
135.04364	0.4
135.08073	0.4
137.05975	0.4
141.06979	1.3
143.08588	0.8
145.06490	0.9
147.08185	0.5
148.11159	0.4
152.10669	0.7
153.06993	0.4
155.08571	1.1
156.08041	0.5
157.08853	0.5
157.10097	0.4
158.09625	1.4
159.08081	0.8
160.11185	2.4
161.09570	0.8
165.07013	1.1
166.07687	0.5
167.08575	0.8
169.06398	0.5
171.08087	0.6
172.11221	1.0
179.08527	1.2
181.10031	0.6
182.11768	2.0
183.07961	0.5
184.11238	1.3
185.12007	1.0
186.12741	2.8
191.08554	1.3
193.10120	1.6
195.08081	0.7
195.11681	0.8
196.11287	0.5
197.09674	0.4
200.10692	0.5
202.12195	0.8
205.10164	1.0
210.12906	0.6
212.10925	0.4
215.08694	0.4
216.13861	1.4
217.10136	0.5
219.08130	0.4
219.11601	0.5
220.08981	0.4
221.09570	0.7
223.11134	0.4
235.11145	0.8
242.11789	1.3
263.10648	0.5
272.12842	0.4
285.11160	0.5
295.13065	0.5
308.16315	0.5
326.17535	0.6
332.16495	0.4
338.17386	0.9
339.23621	0.5
340.18765	0.4
344.18588	1.2
352.19095	1.0
370.20224	0.9
384.21738	1.0
388.21014	2.4
402.22800	2.2
420.23804	2.1
434.25272	0.9
452.26334	1.7
510.24634	0.6
524.26428	6.1
542.27869	2.4
556.29028	2.2
574.30005	100.0
575.30396	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	574.3002
Annotation	Apetaline B
Peak:m/z	Relative Intensity
51.02374	0.9
51.69323	0.6
52.43332	0.5
53.03941	1.1
58.06589	2.4
62.71988	0.5
64.02987	0.5
67.05508	0.5
70.06576	0.9
71.04974	1.3
75.04481	0.7
76.99329	0.6
77.03918	1.6
79.05482	1.0
81.03401	0.6
81.15628	0.5
84.08151	1.1
85.02897	0.9
87.04402	0.5
88.07626	1.5
91.05479	1.1
93.07059	0.6
94.06546	5.6
95.04957	5.5
100.07613	0.8
105.03379	40.9
105.04528	1.8
105.07045	0.9
108.08096	3.3
109.06525	0.9
110.09694	1.6
115.05435	1.0
117.07024	1.3
123.04427	0.9
125.02361	1.7
128.06183	0.9
129.07008	2.4
132.08224	0.6
140.10713	2.3
141.07005	1.5
142.07759	0.8
143.08563	0.8
153.07050	0.5
155.08560	1.8
157.10155	0.7
165.07066	0.9
167.08565	0.9
169.06480	0.5
169.10217	1.1
179.08493	1.1
180.48352	0.5
181.10164	1.0
191.08556	0.9
193.10158	0.7
198.12827	1.0
204.40833	0.5
205.10114	0.6
222.21355	0.5
247.11125	0.6
434.25348	1.3
444.69049	0.5
452.26349	1.1
482.21707	0.9
510.24753	3.8
542.27454	16.3
543.28046	1.0
574.30090	100.0
575.30487	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	574.431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90566	3.2
53.22820	3.1
55.01865	12.3
55.05498	14.4
57.03429	8.6
57.07071	24.6
64.46422	3.8
67.05501	28.1
69.07050	10.8
69.17085	13.4
69.17486	9.3
71.04981	4.4
71.08624	17.2
78.51180	3.3
79.05479	18.7
80.33468	3.5
81.07037	20.4
83.04984	26.6
83.08617	5.8
85.10160	7.0
87.04463	13.2
88.93889	3.3
91.05480	8.1
93.07028	24.0
95.08591	19.8
97.06534	7.4
97.10185	5.0
107.04913	5.1
107.08591	10.1
109.10145	12.0
111.04427	53.9
111.08076	17.0
115.81425	3.8
117.06969	5.9
120.87299	3.8
121.10118	9.8
125.05967	3.9
131.08577	6.2
135.11661	18.4
145.10095	16.2
149.09595	5.4
153.12726	15.9
163.11180	27.1
181.10844	4.4
181.12233	23.8
191.10678	27.4
209.11726	13.9
215.54256	3.3
227.12729	55.0
239.23650	4.2
283.15363	100.0
283.18002	3.7
301.16418	61.0
313.27344	86.8
521.37976	10.9
539.39386	65.7
603.86163	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	575.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
57.03440	0.8
57.07071	0.5
61.02903	0.5
69.03413	0.6
69.07999	2.5
71.04971	1.7
73.54292	0.5
79.05445	0.5
81.03404	25.7
85.02894	4.8
89.72177	0.5
91.05454	0.6
93.22965	0.4
95.08584	0.5
97.02876	13.3
98.22633	1.0
99.04433	6.0
103.03924	0.6
105.03357	0.4
109.02861	100.0
110.03185	1.7
127.03896	55.1
127.41087	0.4
139.03891	5.1
145.04955	0.8
158.09698	0.5
169.04927	18.1
174.85699	0.5
187.06056	1.3
188.91176	0.4
204.52121	0.4
211.06049	0.5
229.07045	7.9
287.05377	4.2
289.09341	0.9
311.05447	0.6
448.57571	0.5
486.27490	1.0
544.40149	0.5
574.32800	8.8
575.33008	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	575.1392
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside)
Peak:m/z	Relative Intensity
51.02382	0.7
53.03938	6.3
57.07061	0.5
67.01843	1.2
67.05508	0.5
68.99781	0.5
69.03424	8.0
69.63065	1.8
71.04982	1.2
79.05488	0.8
81.03407	40.4
81.07050	1.0
82.03762	0.5
85.02892	1.3
87.53587	0.5
87.55475	0.6
91.05471	1.0
97.02882	14.9
98.22775	0.9
99.04424	2.8
103.03908	0.6
105.07053	0.7
107.04927	0.7
107.08575	0.5
109.02863	100.0
110.03176	1.4
111.00774	0.8
121.02834	2.8
127.03899	15.4
127.28114	0.5
137.02351	0.8
139.03879	4.5
147.04463	0.7
153.01793	3.5
165.01807	1.4
169.04929	9.2
180.09084	0.5
183.02855	1.2
187.06009	1.5
213.05481	1.4
229.06985	4.5
231.06496	1.0
241.04962	0.7
258.05264	0.9
261.91382	0.6
287.05457	67.0
288.05814	1.6
437.08392	0.7
456.38556	0.6
486.27197	0.7
487.27615	0.6
512.35400	0.6
574.32648	5.9
575.33496	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	575.1392
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-(2'',4'',6''-triacetylglucoside)
Peak:m/z	Relative Intensity
51.63427	0.5
53.03938	5.1
55.01864	1.5
57.03419	0.7
57.07064	1.0
57.71454	0.5
58.41773	0.5
61.02899	0.6
61.59026	0.6
69.03415	3.0
69.09240	3.2
69.09647	1.3
71.04983	2.4
79.05495	0.6
81.02953	1.1
81.03409	17.4
81.07055	0.8
83.01360	0.7
85.02893	3.3
97.02897	5.9
99.04449	18.5
103.03918	5.1
105.07014	0.7
107.08549	0.7
109.02868	35.3
127.03902	100.0
128.04248	1.3
130.75684	0.5
139.03893	0.8
145.04939	11.6
169.04924	9.1
187.05991	27.0
229.07047	20.1
287.05478	7.7
287.08527	0.9
368.05148	0.6
452.45102	0.8
485.27228	1.2
486.27475	2.4
487.27774	1.2
508.73483	0.6
574.32751	13.0
575.33069	7.1
592.57098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
57.03426	1.3
63.16636	0.9
69.03413	2.6
69.19180	5.8
71.04979	3.3
81.03407	31.9
85.02891	16.0
85.22291	1.1
97.02888	11.1
98.22730	2.5
99.04439	8.0
102.09149	1.1
103.03949	2.7
109.02864	88.5
110.03194	1.1
127.03901	100.0
128.04222	1.3
139.03903	5.7
145.04944	1.6
169.04935	19.6
187.06001	3.9
194.46172	1.1
229.07057	15.6
257.04419	1.7
287.05399	5.5
289.09137	2.4
355.01553	1.2
375.00797	1.0
437.07803	1.1
481.33014	1.0
557.12524	3.0
574.32300	2.1
604.70856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01858	28.2
55.05502	58.0
57.03431	11.3
57.07064	2.5
59.04990	6.5
65.03937	6.5
67.05499	68.3
67.05860	4.4
69.03416	5.5
69.07056	31.9
71.04979	11.6
77.03929	2.2
78.28477	1.6
79.05482	73.3
79.05946	3.9
80.01828	2.0
81.03407	32.2
81.07046	64.9
83.01342	8.2
83.04973	36.3
83.08612	37.7
85.02882	11.4
85.06553	4.5
91.05466	64.5
93.07034	76.4
95.04955	74.4
95.08594	36.7
95.53642	1.9
96.05299	2.2
97.02901	4.4
97.06510	14.3
97.10157	16.6
99.04420	15.7
99.08096	2.4
105.04536	5.1
105.07011	43.6
107.04942	23.2
107.08575	58.4
108.08839	1.7
109.06504	19.7
109.10130	18.3
111.04432	25.7
111.08080	10.7
112.23936	2.0
115.05467	2.0
117.07018	22.5
119.08556	35.1
121.06500	12.5
121.10118	34.9
121.68707	1.7
123.08045	16.0
123.11713	4.6
125.05985	4.9
125.09618	20.1
128.06238	1.9
129.06982	9.4
130.07838	2.7
130.27744	1.7
131.04939	3.4
131.08563	21.7
133.06476	2.5
133.10068	17.6
135.08058	13.5
135.11658	23.7
135.12489	2.0
137.09627	4.9
139.11163	2.0
142.07773	2.4
143.08575	7.5
145.10104	45.1
147.08008	9.4
147.11664	14.1
149.09589	33.8
149.13304	4.3
151.11298	2.3
153.09117	2.5
153.12762	6.7
155.08521	3.2
157.10149	5.1
159.08063	2.7
159.11671	13.1
161.09644	5.1
161.13264	4.6
163.11159	64.2
165.12773	4.7
169.10153	3.8
170.51208	2.0
171.10254	2.6
171.11674	3.5
173.09653	5.4
173.13243	3.7
175.11145	4.5
177.12779	3.8
181.12263	5.4
183.11714	2.9
187.11285	6.3
189.11201	17.6
189.12740	2.9
191.10680	6.3
193.12297	4.9
197.13206	3.6
199.11375	1.8
205.12251	8.0
209.11592	8.9
211.13266	3.8
219.13712	2.0
223.13258	75.7
227.12721	9.4
229.19545	5.0
237.14665	2.1
239.17995	3.9
247.20576	3.5
257.19003	7.8
265.14325	4.2
273.18408	2.4
275.20020	75.6
283.15332	15.2
291.19568	4.4
293.21100	37.9
299.14963	2.2
329.21030	2.3
331.22980	2.8
349.23828	9.3
367.24878	2.7
436.17865	2.2
465.30173	5.1
483.30838	2.8
501.32016	2.6
539.34027	2.8
557.34534	17.3
575.35834	100.0
576.36102	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	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.6
53.03933	5.6
55.01870	12.2
55.05504	24.1
57.03436	6.9
57.07061	1.7
59.04977	1.4
65.03934	2.9
67.05495	33.6
67.05860	1.8
69.03429	5.5
69.07051	11.2
71.04986	4.8
72.89414	0.9
79.05481	53.2
80.05788	1.5
81.03408	35.0
81.07044	100.0
83.04971	17.2
83.08608	18.0
85.02890	15.2
85.06536	2.1
91.05466	38.7
91.93116	1.2
93.07033	32.9
95.04957	31.0
95.08582	19.5
97.02896	1.9
97.06518	6.7
97.10157	8.1
99.04458	3.2
99.08123	1.9
103.05479	1.6
105.03363	1.5
105.04491	1.6
105.07013	28.3
106.07336	1.3
107.04942	11.6
107.08569	18.4
109.05740	2.6
109.06496	48.8
109.10142	10.0
110.06861	1.7
111.04423	16.8
111.08083	8.2
115.05413	1.4
116.06240	1.1
117.07014	12.0
119.08561	33.8
120.08835	1.3
121.06493	9.8
121.10117	16.6
123.08054	6.4
123.11700	1.8
125.06008	1.2
125.09614	6.5
128.06236	1.8
129.05508	1.3
129.06985	11.8
130.07742	1.1
131.08556	16.3
132.05681	1.1
133.06488	5.2
133.10136	10.0
135.08032	8.7
135.11626	8.5
137.09578	4.2
141.07027	2.1
142.07744	2.3
143.08574	6.5
145.06496	2.2
145.10104	17.9
147.08018	12.3
147.11684	9.3
149.09598	12.7
151.11179	1.3
153.09109	1.6
153.12738	3.4
155.08525	2.5
157.10075	9.0
159.08037	4.2
159.11621	5.4
161.09579	7.7
163.11115	12.7
165.09123	4.9
165.12729	1.8
171.11646	3.9
173.09618	3.3
173.13245	1.2
175.11177	5.8
177.12718	1.9
181.12201	4.9
185.13275	1.7
187.11212	1.6
189.09319	0.9
189.11226	5.2
191.10657	1.9
193.12195	16.0
195.11584	1.2
197.13266	1.2
205.12175	1.2
209.11696	3.3
211.13210	14.1
211.15033	1.3
223.13254	5.8
223.66229	1.1
227.12752	7.2
227.17868	1.8
237.16325	1.6
245.18961	2.7
249.14793	5.6
255.17375	3.2
267.15866	15.9
273.18439	33.2
275.19952	6.3
283.15466	1.5
285.16904	7.4
291.19489	83.3
292.19754	1.7
293.20993	3.3
309.20505	1.8
329.21127	1.5
347.22141	8.8
349.23865	1.7
365.23230	5.7
393.22076	1.3
448.59592	1.2
483.30743	1.8
539.33539	2.5
557.34717	19.3
575.35791	23.6
576.35767	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01865	18.4
55.05503	42.7
57.03434	14.4
57.07067	1.8
63.39613	2.1
65.03928	4.9
67.05494	66.9
69.03426	7.8
69.07059	19.0
71.04988	9.0
73.61410	1.5
77.03933	1.6
79.05480	64.1
81.03407	80.6
81.07044	100.0
82.03772	2.0
83.04970	26.3
83.08605	29.8
85.02896	19.5
85.06544	3.9
91.05470	58.8
93.07031	50.3
93.07596	3.1
95.04955	47.1
95.08588	25.2
97.02876	3.0
97.06530	9.2
97.10152	19.8
98.23415	5.2
99.04437	3.5
99.08089	3.3
103.05437	3.4
105.03404	2.0
105.04510	2.7
105.07013	49.3
107.04939	18.2
107.08573	28.8
109.02916	1.8
109.06488	19.2
109.07098	1.6
109.10146	16.4
111.04435	19.8
111.08067	14.5
113.05989	3.4
114.08570	1.4
115.05448	6.2
117.06995	19.0
119.04934	3.0
119.08564	42.1
119.09418	2.7
121.06500	13.5
121.10130	17.9
123.08052	23.1
123.11704	4.1
125.05988	2.9
125.09608	20.9
128.06221	4.6
129.06979	20.1
130.07748	2.4
131.04965	2.6
131.08543	25.7
131.09435	2.2
133.06462	10.9
133.10109	17.7
133.19920	1.5
135.08017	9.8
135.11684	7.8
137.09604	6.3
139.07498	2.0
141.07024	3.2
142.07788	5.0
143.08542	10.8
145.06503	5.4
145.10103	20.9
147.08006	18.0
147.11635	17.6
149.09590	12.7
153.09178	3.6
153.12758	8.5
155.08560	4.5
157.06421	2.3
157.10098	18.4
159.08064	5.6
159.11728	6.8
161.09618	12.0
161.13264	2.4
163.11160	19.0
165.09134	5.4
165.12787	3.1
167.08646	2.5
169.10185	4.2
171.10341	2.0
171.11734	7.0
173.09639	6.5
173.13255	2.6
175.11211	14.8
177.12828	3.2
179.10632	2.1
181.10144	2.0
181.12260	9.1
183.11659	3.5
185.09604	2.1
185.13275	3.2
187.11159	3.7
187.14799	2.4
189.11176	15.6
189.12691	1.9
191.10683	6.5
193.12228	39.4
195.11787	1.8
199.11165	2.2
199.14897	1.9
201.12932	2.1
205.12265	4.6
209.13321	2.0
211.13237	31.5
211.15015	2.5
213.12839	2.0
219.13704	2.4
223.13281	6.0
227.12691	12.7
245.19086	4.5
249.14856	4.5
255.17513	5.3
263.20160	2.2
265.14362	3.1
267.15939	24.3
273.18457	56.3
275.20114	2.6
283.15326	2.6
285.16809	10.7
291.19492	57.9
292.19876	3.0
297.18613	2.7
309.20654	3.0
313.21646	5.0
315.19696	2.3
329.21149	3.3
331.22421	3.1
347.22104	17.3
351.23138	1.7
364.03522	1.6
365.01968	1.7
365.23224	7.4
435.80127	1.8
447.28439	4.5
465.29959	6.0
483.31226	6.0
501.32043	2.1
539.33734	9.3
557.34619	28.8
575.35730	56.7
576.36182	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	575.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.5
55.01865	18.4
55.05503	42.7
57.03434	14.4
57.07067	1.8
63.39613	2.1
65.03928	4.9
67.05494	66.9
69.03426	7.8
69.07059	19.0
71.04988	9.0
73.61410	1.5
77.03933	1.6
79.05480	64.1
81.03407	80.6
81.07044	100.0
82.03772	2.0
83.04970	26.3
83.08605	29.8
85.02896	19.5
85.06544	3.9
91.05470	58.8
93.07031	50.3
93.07596	3.1
95.04955	47.1
95.08588	25.2
97.02876	3.0
97.06530	9.2
97.10152	19.8
98.23415	5.2
99.04437	3.5
99.08089	3.3
103.05437	3.4
105.03404	2.0
105.04510	2.7
105.07013	49.3
107.04939	18.2
107.08573	28.8
109.02916	1.8
109.06488	19.2
109.07098	1.6
109.10146	16.4
111.04435	19.8
111.08067	14.5
113.05989	3.4
114.08570	1.4
115.05448	6.2
117.06995	19.0
119.04934	3.0
119.08564	42.1
119.09418	2.7
121.06500	13.5
121.10130	17.9
123.08052	23.1
123.11704	4.1
125.05988	2.9
125.09608	20.9
128.06221	4.6
129.06979	20.1
130.07748	2.4
131.04965	2.6
131.08543	25.7
131.09435	2.2
133.06462	10.9
133.10109	17.7
133.19920	1.5
135.08017	9.8
135.11684	7.8
137.09604	6.3
139.07498	2.0
141.07024	3.2
142.07788	5.0
143.08542	10.8
145.06503	5.4
145.10103	20.9
147.08006	18.0
147.11635	17.6
149.09590	12.7
153.09178	3.6
153.12758	8.5
155.08560	4.5
157.06421	2.3
157.10098	18.4
159.08064	5.6
159.11728	6.8
161.09618	12.0
161.13264	2.4
163.11160	19.0
165.09134	5.4
165.12787	3.1
167.08646	2.5
169.10185	4.2
171.10341	2.0
171.11734	7.0
173.09639	6.5
173.13255	2.6
175.11211	14.8
177.12828	3.2
179.10632	2.1
181.10144	2.0
181.12260	9.1
183.11659	3.5
185.09604	2.1
185.13275	3.2
187.11159	3.7
187.14799	2.4
189.11176	15.6
189.12691	1.9
191.10683	6.5
193.12228	39.4
195.11787	1.8
199.11165	2.2
199.14897	1.9
201.12932	2.1
205.12265	4.6
209.13321	2.0
211.13237	31.5
211.15015	2.5
213.12839	2.0
219.13704	2.4
223.13281	6.0
227.12691	12.7
245.19086	4.5
249.14856	4.5
255.17513	5.3
263.20160	2.2
265.14362	3.1
267.15939	24.3
273.18457	56.3
275.20114	2.6
283.15326	2.6
285.16809	10.7
291.19492	57.9
292.19876	3.0
297.18613	2.7
309.20654	3.0
313.21646	5.0
315.19696	2.3
329.21149	3.3
331.22421	3.1
347.22104	17.3
351.23138	1.7
364.03522	1.6
365.01968	1.7
365.23224	7.4
435.80127	1.8
447.28439	4.5
465.29959	6.0
483.31226	6.0
501.32043	2.1
539.33734	9.3
557.34619	28.8
575.35730	56.7
576.36182	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	576.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03930	2.2
55.01869	0.5
59.79345	0.4
63.97755	0.4
64.44207	0.4
65.03912	0.5
65.35871	0.5
65.50834	0.4
67.05457	0.5
69.37226	1.2
69.37609	1.0
70.06571	0.8
70.99352	0.5
75.04465	0.7
77.03928	2.7
79.05478	1.7
82.06562	2.5
85.02892	1.9
91.05447	1.8
94.06561	2.8
95.04954	9.7
96.08121	0.9
97.02874	0.7
103.26487	0.5
105.03375	67.6
105.04399	4.5
105.06995	0.8
106.03712	0.9
107.04964	0.9
108.08121	1.0
109.06445	0.7
115.05443	1.0
117.06960	1.1
120.08077	0.6
121.06473	0.6
123.04441	1.0
124.07614	0.9
125.02328	1.7
126.87003	0.5
128.06169	0.7
129.06979	1.4
131.08548	0.9
133.02731	0.6
133.06482	0.6
134.09612	0.5
135.04350	0.5
137.06029	0.6
138.09151	0.8
141.06944	0.7
142.93150	0.5
143.08571	1.1
145.06480	1.7
147.07991	1.0
153.06862	0.7
155.08583	1.5
157.06444	0.8
159.08046	0.5
165.06998	1.4
167.08563	1.2
169.10139	0.7
170.09566	0.6
171.08046	0.9
171.43690	0.5
175.17232	0.5
178.07849	1.0
179.08551	1.1
181.06537	0.6
181.10173	0.7
183.08113	0.7
188.10657	0.6
190.07835	0.8
190.12178	0.6
191.08446	0.5
195.08080	1.1
196.11174	1.1
197.09477	0.8
198.09047	0.7
203.08591	0.7
205.10094	1.2
207.08093	0.8
207.11981	0.5
209.09560	0.7
211.11157	0.6
218.07198	0.6
221.09731	0.6
223.11104	0.6
233.09721	0.8
237.80634	0.5
251.10545	0.6
317.81000	0.5
354.16791	0.7
386.66434	0.6
468.20126	1.0
476.20764	1.1
494.21744	1.7
508.23087	1.4
526.24207	9.3
540.26428	1.0
544.25433	4.1
558.26886	15.6
576.27917	100.0
577.28149	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	576.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
65.09645	0.5
67.05504	0.5
69.86938	1.4
69.87285	0.6
70.06583	0.7
73.09580	0.5
77.03910	1.5
79.05495	0.9
82.06556	0.5
85.02881	1.2
86.20399	0.5
88.07628	1.5
91.05472	1.6
93.03404	0.7
94.06565	5.3
95.04953	3.5
105.03380	16.6
105.04518	1.3
105.07028	1.3
106.03709	0.8
107.07334	1.1
108.08104	2.4
110.09681	0.7
111.04425	0.7
115.05435	0.7
117.07021	1.5
125.02344	1.1
125.05983	0.7
128.06174	2.6
129.07010	2.1
131.08522	2.7
133.08850	0.6
141.06996	0.8
143.08545	2.2
145.06416	0.9
145.10178	0.8
146.09642	0.7
153.05473	0.8
153.06824	1.0
155.08508	1.2
157.06520	1.0
157.08870	0.8
165.07001	0.7
167.08540	0.7
169.06429	0.7
171.08049	1.2
172.11224	2.1
174.12762	1.1
178.07820	0.7
179.08562	1.1
185.09711	0.7
191.08516	0.7
193.10057	0.8
203.08693	0.6
205.10089	1.3
209.09656	1.1
217.10262	0.6
235.11375	0.5
237.09172	0.5
247.37857	0.5
263.10550	0.8
308.41971	0.5
372.17810	0.7
390.19043	1.0
422.21552	7.0
426.51703	0.6
512.22668	6.1
544.25336	10.7
558.27423	0.7
576.27954	100.0
577.28265	6.9
591.57489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
58.06600	0.4
67.05514	0.5
69.03427	0.6
69.12966	1.0
69.13375	1.1
70.06578	1.0
71.05000	0.6
74.06071	0.7
78.51964	0.3
79.05486	1.1
79.77774	0.3
81.03409	0.9
82.06569	0.6
85.02892	2.1
87.04463	0.9
91.05476	1.7
91.27196	0.3
93.07024	0.5
94.06570	1.0
95.04976	1.5
96.08099	0.5
97.02882	1.0
97.06528	0.5
98.06062	0.5
102.49993	0.3
105.03378	4.3
105.07040	1.1
108.08134	1.1
109.06503	0.9
115.05442	0.8
117.07031	1.8
119.04979	0.5
120.08092	0.5
121.06510	0.7
123.04429	0.6
124.07576	2.4
125.02347	1.3
125.06001	0.4
128.06238	1.1
129.06990	2.1
131.08551	1.1
132.08110	0.9
134.09637	0.5
135.08104	0.4
137.05994	0.4
139.03899	0.3
141.06990	1.4
142.07758	0.4
143.08583	1.0
145.06491	0.8
145.10110	0.4
147.04419	0.4
147.08044	0.7
153.07004	0.9
155.08533	2.6
157.06488	0.7
157.10072	0.4
158.07245	0.4
158.09666	0.9
159.08093	1.0
162.09184	0.7
165.07028	1.3
166.07771	0.4
167.08591	1.5
169.06519	0.5
169.10147	0.8
170.09593	0.4
171.08067	0.7
175.07664	0.4
178.07808	0.8
179.08536	1.6
181.06483	0.4
181.10106	1.2
182.09621	0.4
183.08095	1.2
184.11191	0.6
185.09653	0.8
188.10786	0.8
190.07814	0.7
191.08525	0.7
192.09334	0.4
193.10161	1.3
195.08092	0.8
195.11784	0.4
196.11206	0.7
197.09700	0.9
202.07794	0.6
203.08559	0.9
204.09407	0.6
205.10136	1.4
207.08066	0.6
207.11681	0.8
209.09618	1.1
209.15269	0.5
215.08830	0.5
217.10149	0.5
218.07471	0.5
219.08000	0.5
221.09601	1.0
223.11218	0.7
225.09106	0.7
233.09557	0.7
235.11214	0.4
251.10767	0.7
263.10690	0.5
292.13367	0.4
310.14352	0.8
311.12830	0.4
312.15930	0.4
322.14307	0.4
340.15381	0.8
342.17032	0.5
354.16946	0.3
358.16611	0.9
360.18155	0.7
364.17667	0.7
372.18005	1.5
378.19299	0.5
390.19034	5.3
392.20557	0.4
404.20541	0.8
422.21671	18.6
423.22220	1.0
436.23318	0.6
454.24429	2.6
544.25153	0.9
576.27960	100.0
577.28412	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	576.3157
Annotation	O-12'-Methylergocornine
Peak:m/z	Relative Intensity
53.03896	0.4
54.70714	0.4
55.05458	0.5
56.04957	1.2
56.05205	0.4
58.06520	5.6
58.06830	0.7
65.03838	0.4
65.70389	0.3
66.00990	0.3
67.05417	1.1
69.03344	1.4
69.06984	0.7
70.06509	0.5
70.32005	1.0
72.08060	1.3
73.02856	0.4
79.05395	2.8
79.65479	0.4
81.03329	1.4
81.03765	0.4
81.07044	2.6
83.08546	0.4
84.08088	0.6
85.02810	1.9
85.03307	0.6
87.00731	0.4
91.05460	2.4
93.07040	4.3
94.06474	0.6
94.23021	0.4
95.04854	1.3
95.08591	1.9
97.02800	1.1
98.09589	1.1
99.04354	0.6
105.03375	5.1
105.04414	0.5
105.07008	3.1
106.03648	0.6
107.08468	1.5
108.08044	0.6
109.02773	1.6
109.10041	1.0
110.09591	1.4
117.06913	1.4
119.08551	1.8
121.10048	1.1
127.03806	1.6
128.06126	0.5
129.06860	1.4
131.08441	1.7
133.10092	2.0
141.06949	0.9
142.07648	0.4
143.08580	2.0
145.04869	0.6
145.10120	2.6
147.11633	2.5
152.36710	0.5
154.62183	0.4
155.08511	1.8
157.10046	1.7
159.11597	1.2
169.10030	1.0
171.11572	1.2
173.13141	1.3
181.10051	0.7
183.11600	0.9
185.13182	0.8
185.73686	0.4
185.94301	0.4
191.14374	0.5
195.11714	1.9
197.13283	0.9
206.04469	0.5
211.14732	0.8
217.06462	0.5
226.09360	0.4
237.16348	1.3
253.19495	0.6
265.19400	0.8
267.20844	0.5
287.05453	1.1
288.05771	1.5
310.25232	100.0
311.25604	4.2
328.26315	4.1
396.08109	0.5
420.26453	0.8
421.26709	0.5
422.27026	0.9
452.29211	0.7
453.29443	0.7
454.29523	0.9
532.32587	9.0
533.32947	0.7
544.27789	1.3
558.26819	0.7
575.32831	0.8
576.31757	67.0
577.22137	0.4
577.31836	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	577.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01862	19.7
55.05500	58.0
57.03427	19.2
57.07065	3.7
59.47925	1.9
62.51285	1.9
65.03926	4.9
67.05491	73.2
69.03426	10.3
69.07052	28.8
70.71965	3.3
71.04987	7.7
71.08618	4.1
79.05479	72.1
81.03403	75.8
81.07043	71.4
83.04964	31.5
83.08606	53.3
83.09093	3.7
85.02885	36.8
85.06526	4.4
91.05462	76.6
93.07024	66.2
95.04949	100.0
95.08588	39.3
97.02880	5.3
97.06493	12.0
97.10158	17.4
99.04449	13.4
99.08098	5.1
105.07005	56.6
107.04954	17.8
107.08579	44.3
109.06487	13.2
109.10144	19.0
111.04434	25.6
111.08062	17.4
113.05997	4.0
115.05431	4.3
117.03327	2.6
117.07019	13.3
119.08565	41.6
119.09401	2.6
121.06455	9.2
121.10106	32.9
123.08031	9.4
123.11708	8.2
125.09595	11.4
128.06277	1.9
129.06975	18.3
131.08540	28.4
133.06494	3.8
133.10127	30.6
135.08049	9.2
135.11629	13.6
137.09587	3.6
139.11211	3.0
141.06920	2.9
142.07808	2.1
143.08560	4.3
145.02843	3.6
145.06526	3.5
145.10078	24.0
147.08057	8.8
147.11662	23.4
149.02281	11.5
149.09589	33.8
149.13231	3.0
151.11218	4.7
151.93121	1.7
153.12775	2.8
157.10100	15.0
159.11671	10.8
161.09630	3.2
161.13251	3.6
163.11151	30.5
163.12416	2.4
165.12820	7.7
167.10669	2.4
169.10110	3.3
171.11684	2.3
173.09660	2.9
173.13197	2.1
175.11151	15.1
177.05511	8.1
177.12727	4.7
179.14293	13.4
181.12225	2.0
183.11667	3.6
185.13327	2.5
187.11223	3.8
187.14859	2.3
189.11150	13.0
191.10706	2.0
191.14284	2.1
193.12215	58.9
193.13913	3.8
194.12679	2.2
197.13185	2.9
205.12242	6.3
211.13240	63.2
219.13733	2.7
223.13231	63.6
227.12784	4.1
229.19418	2.6
237.14725	1.9
239.18057	3.5
247.20682	2.1
257.18866	9.0
267.15839	30.7
275.20032	69.5
277.21738	6.6
285.17090	5.8
293.21017	40.1
304.31583	1.8
323.96133	2.4
349.23694	10.1
351.25269	2.6
367.24820	8.9
467.32016	2.4
469.61316	2.3
473.52390	2.1
541.35461	5.5
559.36102	16.9
577.13757	4.4
577.37354	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.7
51.33871	0.6
55.01857	0.7
56.05024	1.0
57.03411	0.8
58.06596	9.4
59.04992	1.1
61.93260	0.6
67.05489	1.4
70.06574	4.7
71.04974	3.5
72.08137	2.2
78.17132	0.5
79.05485	2.6
81.07064	1.1
85.02888	2.8
87.04411	0.5
91.05476	4.5
95.04946	0.9
95.08615	0.8
97.06516	0.7
98.09688	1.7
102.09170	16.1
102.09833	1.1
105.07024	3.4
107.04971	0.7
108.08097	3.6
109.06498	0.8
115.05421	0.9
117.07018	3.8
119.04942	1.1
119.08558	1.6
121.02888	1.7
121.06504	2.6
121.08888	0.8
122.09657	1.5
123.08018	0.7
125.05993	0.7
128.06238	1.4
128.10725	1.0
129.06950	3.3
131.08571	2.4
133.06502	0.6
135.08054	1.9
141.06982	2.2
143.08569	2.8
145.06464	0.9
145.10094	1.6
147.04379	5.1
147.08102	0.7
148.11263	0.8
153.07074	0.9
155.08578	1.8
157.10118	1.2
158.09676	0.7
160.11214	1.1
165.07077	0.9
165.11520	1.0
167.07089	3.9
167.08580	2.5
169.10086	1.3
171.08128	0.7
171.11765	0.9
178.07764	0.8
179.08554	1.5
180.09575	0.7
181.04918	1.1
181.10138	2.2
191.08588	0.9
192.09329	0.6
193.10156	1.9
195.11708	1.0
199.11249	0.9
205.10167	0.8
207.11743	1.4
209.09712	0.9
209.13293	0.9
213.12926	0.7
217.10118	0.8
219.11713	0.9
221.13251	0.8
255.06461	0.7
263.14398	0.8
271.05984	1.1
276.29004	0.6
283.06003	11.7
284.06839	3.7
295.06009	3.0
297.07614	2.0
308.20261	1.8
312.19733	1.8
313.03601	0.7
313.06973	14.1
323.09064	3.2
325.07138	0.9
337.06973	4.7
340.08426	0.9
340.22662	15.0
341.23148	1.0
343.08337	0.9
344.22150	20.8
349.07288	0.7
351.08813	1.3
367.08191	2.4
372.25256	62.3
373.25659	1.5
379.08331	2.4
384.07117	0.9
397.09012	4.4
404.27896	47.8
405.28250	2.2
415.10172	4.8
433.11267	16.8
534.30396	4.2
578.29584	100.0
579.17896	2.7
579.29340	3.9
584.23309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	1.2
58.06531	8.0
59.04953	0.8
67.05439	1.2
69.03366	0.4
70.06577	3.6
70.76766	0.6
71.04913	1.3
71.39493	0.4
72.08077	1.7
73.06962	0.3
78.00177	0.3
79.05486	2.3
81.06995	0.8
84.08097	0.4
91.05480	3.9
94.77752	0.3
95.04931	0.5
96.08041	0.4
98.09604	1.5
100.22902	0.4
102.09162	14.7
103.05398	0.5
105.07004	3.0
107.04891	0.5
107.08542	0.4
108.08093	3.8
108.91154	0.4
109.06432	0.6
115.05376	0.5
115.79149	0.4
117.07012	2.9
119.08508	0.9
121.06402	1.2
122.09570	1.4
128.06223	0.8
128.10629	1.0
129.06938	2.0
131.08554	2.3
133.06384	0.7
133.10031	0.5
134.09564	0.9
135.07979	0.9
136.11157	0.4
141.07004	1.9
142.79340	0.4
143.08556	2.1
145.09998	1.3
147.04390	0.7
147.07912	0.6
148.11130	0.8
152.10664	0.7
153.06917	0.8
154.12093	0.4
155.08553	2.4
157.10063	1.2
158.09563	0.8
159.11670	0.4
160.11104	1.4
162.12653	0.6
164.06866	0.5
165.06915	0.5
165.11401	1.1
167.07161	0.4
167.08481	1.6
169.10060	1.3
171.07950	0.6
171.11650	0.7
172.11011	0.6
174.12608	0.7
175.03818	0.6
176.10648	0.5
179.08488	1.6
180.09264	0.8
181.10039	2.2
183.11549	0.4
185.09549	0.8
186.12743	0.7
191.08487	0.8
191.25963	0.4
192.09375	0.4
192.17870	0.4
193.10078	1.6
195.11606	1.5
197.13176	0.7
199.11159	0.5
203.08476	0.5
204.09160	0.9
205.10114	0.7
207.06479	1.0
207.11546	0.9
209.13206	0.5
217.10037	0.8
221.13202	0.6
223.14905	0.4
226.15723	0.4
232.12616	0.5
235.14774	0.6
245.13084	0.4
251.14420	0.6
252.17471	0.8
252.85780	0.5
263.14157	0.6
266.15240	0.5
280.16782	0.6
294.18451	0.6
296.20004	0.6
308.20166	1.9
312.19452	1.6
315.22955	0.4
340.22644	18.9
344.22137	16.4
352.22498	0.4
372.25256	56.2
373.25543	2.1
386.08948	0.4
390.26328	1.1
392.52924	0.5
404.27890	33.0
405.28183	1.1
546.26849	0.5
578.29523	100.0
579.29919	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	578.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01547	1.3
52.11908	1.2
53.03931	3.5
55.01841	2.4
55.05503	7.3
57.03411	2.5
61.02905	2.2
67.05496	6.0
69.03413	2.8
69.07064	7.9
69.18186	8.6
77.03909	3.2
79.05482	9.3
81.03403	3.7
81.07055	10.5
83.04979	2.5
83.08598	3.5
85.02885	4.1
91.05471	9.9
93.07018	7.3
95.04962	19.2
95.08600	5.0
97.02890	2.3
97.06477	1.4
97.10170	4.7
103.05499	1.7
105.03378	79.2
105.04404	6.7
105.07032	6.5
107.04957	2.9
107.08572	4.5
109.02866	5.4
109.06503	4.1
109.10142	3.7
117.07018	2.5
119.08556	5.6
121.06477	2.8
121.10083	2.8
125.09627	3.9
127.03915	3.2
128.06268	1.4
129.06992	2.9
131.08549	4.5
133.06471	1.6
133.10132	3.2
135.08043	5.6
136.07565	1.3
137.09650	2.4
143.08574	2.4
145.06470	3.7
145.10104	2.8
147.08005	2.3
149.09599	2.0
153.09027	1.6
156.51086	1.3
157.08858	3.4
157.10081	2.2
159.07959	1.8
160.07607	1.5
161.09627	3.4
161.85574	1.4
163.07501	3.4
171.10307	2.0
172.07611	2.5
173.08321	6.2
174.09143	2.8
175.09885	2.5
178.07796	1.6
179.08592	2.1
181.10141	1.7
188.10735	1.4
189.11165	2.7
193.12265	7.9
196.07526	1.4
198.09135	1.5
203.08563	1.9
204.09309	2.9
205.09999	1.5
207.11903	1.3
212.10670	1.6
216.09351	1.9
219.11559	2.2
227.12714	2.8
229.10001	1.4
231.11658	2.0
231.39026	1.4
233.09583	1.4
243.17445	1.4
247.11191	1.9
262.15829	2.0
271.17004	2.1
272.14319	3.0
274.12341	1.4
288.13721	3.6
289.17896	17.0
290.15237	9.1
294.77057	1.3
307.18954	5.3
308.16483	3.6
318.14786	3.3
326.17209	1.7
336.15823	4.4
354.16895	3.1
363.21582	5.9
381.22675	28.0
414.18878	1.9
472.20078	1.9
476.20981	1.9
490.22134	2.6
500.20581	2.2
518.21509	1.8
536.22369	2.3
560.22485	2.1
578.23633	100.0
579.23694	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	578.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23804	1.3
52.79787	1.3
53.03931	1.6
55.01866	5.2
55.05508	10.0
57.03426	4.3
58.06585	1.4
58.55500	1.4
58.73230	1.3
58.93862	1.3
60.04535	1.3
61.02919	1.9
67.05493	8.2
69.03413	1.9
69.07063	11.3
71.05036	1.7
71.22872	1.4
72.84097	1.2
79.05467	12.6
81.03417	4.5
81.07040	16.4
83.04975	3.0
83.08626	6.1
85.02898	2.5
91.05463	9.1
93.07028	10.0
95.04946	5.6
95.08612	2.1
97.02885	1.9
97.06519	2.1
97.10147	6.8
99.00800	1.5
103.05538	1.5
105.03376	4.4
105.04509	1.4
105.07030	6.8
107.04980	4.4
107.08610	8.5
107.09257	1.5
109.02891	4.7
109.06525	1.7
111.04432	3.6
111.08058	2.3
117.07022	4.6
119.08577	6.8
121.06465	3.3
121.10130	3.3
123.08026	1.9
125.09624	5.6
131.08580	3.3
133.10114	3.5
135.08051	9.8
137.09601	2.8
143.08517	2.2
145.06451	1.8
145.10092	3.0
147.08038	1.5
149.09554	1.8
151.11121	1.9
155.08540	1.5
157.10141	1.4
159.08061	2.7
161.09605	3.1
163.07562	5.3
163.11208	2.1
175.27159	1.5
179.10678	1.9
189.11220	4.0
191.10663	1.9
193.12215	11.2
235.07268	1.5
243.17340	2.3
261.18381	2.1
265.14166	1.4
271.17007	4.1
289.17926	15.1
307.18958	4.5
363.21674	6.7
363.33688	1.4
381.22684	100.0
382.22763	2.1
504.23846	2.6
555.38159	1.5
578.26752	7.7
605.31177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01854	2.1
55.05506	11.9
57.03421	4.7
67.05492	20.8
69.03411	2.3
69.07054	7.7
69.40975	7.4
71.04980	8.0
79.05486	24.4
81.03396	5.3
81.07042	57.2
83.04971	3.4
83.08592	10.4
85.02905	3.4
91.05462	17.7
91.81685	1.5
93.07038	16.6
95.04933	7.5
95.08588	15.1
97.02866	1.9
97.06510	5.2
98.22698	1.8
102.47027	1.6
105.04512	1.7
105.07002	17.7
107.04945	4.8
107.08577	10.4
109.06495	25.8
109.10144	6.5
111.04469	5.0
111.08084	3.1
115.39685	1.6
117.07013	5.7
119.08562	15.0
121.06464	4.9
121.10151	8.6
123.08038	6.3
123.11699	2.8
124.03919	10.7
125.04317	1.8
125.09610	2.7
129.06979	2.1
131.08539	6.8
133.10109	11.0
135.08060	3.3
135.11641	4.4
137.09579	3.7
145.10059	7.6
147.11652	10.7
149.09604	6.0
149.13242	5.3
151.11192	2.3
157.10080	3.2
159.11667	2.9
160.65739	1.8
161.09630	2.4
163.11165	4.3
165.12695	2.5
171.11629	1.7
173.13222	2.8
175.11195	1.9
177.12833	2.2
183.11635	2.2
193.12202	2.6
229.19568	2.9
247.20418	2.5
257.18918	2.1
275.19992	34.8
293.21048	2.6
307.22620	3.7
336.15390	1.5
349.23672	100.0
350.23877	3.3
367.24731	5.8
381.26270	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	578.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
54.21466	0.4
55.01845	1.0
55.05494	0.8
57.03425	0.6
67.05492	1.6
69.03416	0.9
77.03903	0.7
79.05477	1.9
81.03399	1.1
81.07037	1.7
83.08539	0.5
85.02905	4.8
91.05465	5.2
93.07028	9.7
95.04953	4.3
95.08589	0.9
97.02890	1.2
103.05442	6.3
105.04501	1.4
105.07050	0.9
107.08601	0.8
109.10139	1.1
115.39590	0.5
121.06488	100.0
122.06797	1.4
127.03862	0.7
128.49077	0.4
128.91879	0.4
135.11684	0.6
141.00154	0.5
145.04907	0.7
145.10124	0.5
153.00206	0.5
179.14323	0.6
250.98875	0.4
283.15344	0.7
335.25836	0.7
560.36395	0.6
578.37213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05014	1.1
56.08640	0.4
57.07065	1.6
58.06585	3.6
59.04989	0.6
67.05498	1.2
69.15240	1.3
69.15665	1.1
70.06574	0.9
71.04986	1.2
72.08144	2.8
75.04473	2.6
79.05479	1.7
81.07047	1.1
82.06577	0.4
84.08121	0.9
85.06524	0.5
91.05470	2.5
93.07036	1.5
95.04961	1.1
98.09669	0.6
99.53423	0.4
102.09160	2.8
102.65868	0.4
103.05450	0.9
105.03384	0.6
105.07005	1.9
107.04882	0.5
107.08544	0.5
108.08107	2.4
109.06532	1.0
110.16705	0.4
115.05445	0.7
117.07006	1.3
121.06479	1.2
122.09675	1.3
123.07996	0.5
124.07561	0.5
128.06181	0.6
128.10666	0.5
129.06961	2.5
131.08548	1.2
133.06505	0.6
135.08044	1.5
141.06955	0.9
143.08572	0.6
145.06421	0.4
147.08026	1.3
148.11142	0.4
152.10677	0.8
153.06960	0.5
154.12280	1.2
155.08563	1.3
157.10150	0.5
158.09641	1.1
159.08049	0.5
160.86130	0.4
161.09628	1.2
163.07520	0.5
165.07008	1.3
166.07744	0.5
167.08577	1.6
169.10062	0.6
171.08099	0.6
172.11211	0.7
173.09590	0.6
174.12616	0.4
174.95505	0.4
177.09090	0.8
178.12299	0.8
179.08507	1.1
181.10112	0.8
188.10625	0.6
191.08560	1.0
192.09401	0.5
193.10136	1.0
194.16447	0.4
199.11301	0.5
202.07796	0.7
203.08546	1.4
204.09428	0.7
205.10117	1.4
207.11693	0.7
208.11221	0.4
211.11017	0.4
215.08530	0.5
216.09328	1.2
217.10121	1.1
218.10818	0.8
219.11655	1.2
223.11089	0.5
231.11760	0.8
233.13379	0.9
235.26671	0.4
236.14307	0.4
243.11546	0.5
249.12849	0.4
258.12891	0.4
262.15884	0.6
263.14230	1.1
266.15530	0.6
276.17432	0.5
288.17520	0.6
292.17062	0.8
294.18427	0.5
295.16965	0.9
306.18500	0.8
320.20154	0.9
324.19550	0.7
338.21127	1.1
352.18854	0.6
352.22833	1.2
354.24396	0.5
368.22311	0.6
380.22229	1.7
384.21603	0.7
398.23175	0.6
412.24713	8.4
416.24225	4.9
444.27356	34.4
445.27728	1.3
476.30014	28.0
477.30463	1.4
479.31171	0.5
546.33899	0.7
578.36755	100.0
579.37073	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	579.1702
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
53.03924	0.9
57.03430	3.3
58.06588	2.7
65.03919	0.9
68.99783	0.6
69.03413	1.4
69.78137	1.1
69.78455	1.3
71.04981	13.0
71.05347	1.1
73.02923	0.7
79.01842	1.2
81.03401	1.3
83.04962	1.1
85.02898	16.3
87.04469	0.7
91.05467	1.8
102.09167	4.4
105.03384	2.9
105.07020	1.2
107.04969	1.4
108.08072	1.1
109.02866	1.7
117.07018	0.8
119.04921	2.1
121.02856	11.1
121.06490	1.9
123.04411	0.9
126.72625	0.7
127.03934	0.9
129.05469	2.1
129.06947	0.8
135.04306	0.7
145.02811	3.1
145.06471	1.6
149.02345	0.7
151.03815	0.7
152.10681	1.9
163.03877	2.3
165.01801	5.2
167.03441	1.5
167.07022	13.2
173.05974	2.3
177.01837	0.9
177.05396	1.0
181.04938	2.1
183.02852	2.1
187.03876	1.1
195.02893	1.7
197.00755	0.7
202.06306	0.9
205.04982	0.8
213.05492	1.2
217.04993	2.7
229.04770	0.9
241.04890	0.8
243.02904	2.3
243.06465	1.6
255.06487	2.3
256.07385	3.3
259.06024	1.5
261.03949	1.4
267.06442	4.1
268.07114	1.1
270.05249	2.2
271.06006	7.7
279.06531	0.9
281.04794	0.7
281.08075	2.8
283.05963	76.0
284.03574	1.6
284.06726	27.7
285.07422	2.7
295.06006	15.1
295.09280	0.8
296.06357	0.9
297.07516	11.4
298.17743	0.7
305.08154	0.9
307.05972	1.2
308.06674	2.3
309.04248	0.8
309.07489	12.2
311.05359	1.9
313.07007	86.9
314.07446	2.5
315.06229	0.7
321.07559	1.1
323.05487	1.7
323.09061	15.7
324.09311	0.8
325.06989	3.4
327.08984	0.8
333.07718	1.9
337.02878	1.7
337.06992	30.0
338.07462	0.8
340.22684	1.2
341.22958	2.8
343.08130	4.7
344.22153	2.3
345.18616	0.7
345.22513	2.7
349.07028	5.4
351.08566	4.9
355.07977	1.8
361.07004	3.8
367.08060	16.8
372.25232	5.9
373.25574	10.0
379.07968	11.7
387.14377	1.9
397.09155	21.9
398.09241	0.8
404.27942	4.4
405.28265	6.8
415.10172	33.4
416.10446	1.1
417.15796	1.3
433.11237	100.0
434.11554	4.0
459.12256	1.0
502.36496	0.7
534.35297	0.7
578.29980	4.6
579.17511	12.6
579.29761	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.3
55.01832	0.5
56.10354	0.3
61.02888	0.3
65.03912	1.0
67.05494	0.6
69.03419	1.7
69.78821	1.2
73.02895	0.3
75.46383	0.4
77.19797	0.3
78.04706	2.1
79.05444	1.2
81.03365	0.9
81.07010	0.4
82.04194	0.4
84.14577	0.3
85.02893	2.6
85.65240	0.3
91.05444	1.2
93.03381	0.3
93.07018	0.3
95.04929	1.3
97.02851	0.9
99.04411	0.3
103.05444	0.5
103.88651	0.3
105.03337	1.1
105.04506	0.3
106.04160	1.6
107.04908	1.3
109.78343	0.3
110.03635	0.6
115.05421	3.1
117.07002	5.9
121.06458	0.9
123.03622	0.5
123.04418	5.7
124.05203	2.0
127.03935	0.4
127.05418	0.9
131.04854	0.5
134.03595	0.7
138.03111	0.5
143.04869	0.4
144.05667	0.4
145.06471	8.7
147.07935	0.5
151.03867	1.1
152.04630	1.7
152.10762	0.4
153.05412	1.1
155.06003	4.8
161.06044	0.3
167.07010	100.0
168.07396	1.5
171.06473	1.6
173.05954	19.7
174.06279	0.5
175.07472	0.6
181.04929	22.7
182.05310	0.4
201.05371	1.0
205.08553	3.5
233.08061	4.7
235.09636	3.6
304.73413	0.3
372.25262	0.8
373.25674	0.7
387.14310	15.5
388.14746	0.8
404.28232	0.4
405.28131	0.4
417.15414	9.7
437.35782	0.3
578.29175	0.4
579.20709	34.2
579.29614	2.5
580.21094	2.3
580.33423	0.4
601.11700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05489	1.3
57.03439	0.3
67.05497	5.5
69.03418	0.5
69.07054	0.8
69.70272	0.9
79.05486	3.2
81.03391	0.9
81.06615	0.5
81.07042	6.0
83.04960	0.3
83.08616	0.6
85.02882	0.4
89.00512	0.4
90.03467	0.4
91.05479	2.0
93.07043	3.1
95.04948	0.7
95.08591	3.5
97.06498	0.5
105.07007	1.6
107.08580	3.0
109.02844	0.9
109.10134	2.2
110.03641	1.1
117.06971	0.8
119.08552	1.4
121.10143	2.8
123.11690	1.2
125.05968	6.3
131.08527	1.5
132.06502	0.3
133.10092	1.3
135.11679	1.8
137.04701	0.9
138.05452	0.5
145.10104	1.4
147.11661	1.3
149.13223	1.4
150.05460	0.6
152.07045	17.4
159.08017	0.4
159.11639	0.8
161.13148	0.5
163.14774	0.7
173.13268	0.9
180.06528	100.0
181.06876	1.4
187.14786	0.4
191.08501	0.6
206.04459	1.4
207.07994	1.1
208.08737	0.7
211.14804	0.5
212.09149	12.8
213.09242	0.8
219.08018	1.3
220.08806	1.3
221.09561	0.7
223.07364	1.1
223.11139	0.9
233.09550	0.7
234.06657	0.8
234.08955	0.4
235.07506	1.0
236.08298	2.9
237.09070	1.2
238.09773	0.5
239.10593	1.0
240.07652	0.4
243.21049	2.0
247.07800	0.5
248.08089	0.4
249.09099	2.1
250.09589	0.4
251.06931	0.5
251.10666	3.5
252.07806	0.4
261.22101	7.2
262.09866	0.5
263.06921	0.5
263.10712	0.6
264.07779	0.6
265.08615	1.6
266.09180	0.6
267.10043	1.9
275.24341	0.4
277.08505	1.3
277.11166	0.5
278.09244	0.8
279.10141	8.2
281.08075	1.6
281.11667	6.4
282.08911	0.8
292.10959	0.9
293.08002	1.4
293.11658	2.0
294.12482	14.7
295.09625	7.2
295.12903	0.7
296.10291	0.6
297.11246	3.8
298.11856	0.7
304.09692	2.4
308.10101	0.9
308.13232	0.5
309.07446	1.4
310.11978	7.2
320.09067	0.6
323.12833	2.1
325.14261	6.1
335.11328	0.5
335.25647	0.9
337.13083	4.2
338.10162	6.7
350.13785	4.0
353.12476	4.1
353.26788	4.1
368.14883	31.3
369.15250	1.1
527.59882	0.4
579.35284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.5
63.02367	0.4
69.03406	1.2
69.15637	1.2
69.16050	0.9
73.02898	1.1
81.03376	0.8
85.02885	1.9
89.03896	5.0
91.05442	0.4
97.02878	0.7
105.03371	1.0
109.02836	0.7
117.03363	14.2
121.02799	0.4
121.06472	0.8
124.27746	0.4
127.03893	0.8
134.03587	0.8
135.04385	0.9
143.18256	0.4
145.02824	42.0
146.03197	0.6
149.05978	5.8
153.01816	0.4
162.03075	0.5
163.03880	0.6
177.05444	100.0
178.05798	1.8
182.46092	0.3
195.06534	0.8
215.23973	0.3
230.47551	0.4
239.09122	6.2
249.02779	0.4
266.61282	0.4
287.05457	15.0
321.09543	0.9
339.10754	3.4
449.10678	1.0
606.64172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.59209	0.7
65.74779	0.7
66.39515	0.8
66.70400	0.7
69.03411	1.5
69.55505	3.1
80.81747	0.8
81.03410	3.9
85.02891	1.9
85.56387	0.7
89.03909	2.8
97.02903	1.4
105.03372	3.4
109.02852	1.4
110.47507	0.8
117.03351	11.6
121.06496	2.3
123.46018	0.8
127.03894	1.3
144.41563	0.9
145.02823	44.6
146.03111	1.3
149.05965	3.9
152.10709	0.8
177.05440	100.0
178.05812	1.1
195.06456	1.1
222.75526	0.8
239.09131	2.6
307.50223	0.8
321.09683	5.5
339.10681	11.3
437.86298	0.8
470.52225	0.8
501.16187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.4
51.02372	1.3
53.03721	0.4
53.03935	3.8
55.01849	0.8
56.36860	0.3
57.03427	1.8
58.78949	0.3
61.02913	2.7
66.22092	0.4
69.03418	12.6
69.12400	1.3
69.12827	1.2
71.04967	1.0
73.02910	1.2
77.03898	3.8
79.05485	3.0
81.03402	11.9
85.02889	22.1
87.04444	1.3
91.03931	0.6
91.05461	5.1
93.07028	7.2
95.04951	12.0
97.02876	10.7
99.04431	2.7
103.03955	0.8
103.05450	4.8
105.03373	100.0
105.04504	4.9
106.03698	1.5
109.02854	8.3
121.06483	90.0
122.06823	1.6
123.04411	6.6
127.03889	9.0
144.98497	0.4
145.04924	4.4
152.10677	57.6
153.10999	1.0
154.82025	0.4
163.07570	0.4
195.06511	1.0
202.53119	0.3
207.16978	0.3
212.80484	0.3
231.06444	1.4
249.07523	16.1
267.08603	10.8
268.08942	0.4
288.51352	0.4
340.22745	1.4
382.16370	0.9
400.17230	0.6
418.18515	15.3
418.25430	1.2
419.18677	0.9
562.22601	1.3
580.23651	21.1
580.31274	1.6
581.23724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04984	0.4
58.06541	6.9
67.05457	0.8
69.03387	0.8
69.63213	0.7
70.06554	0.4
72.08146	5.3
73.02866	0.7
79.05438	1.1
81.06994	0.7
83.96890	0.3
84.08096	0.9
85.02826	1.1
85.41019	0.3
91.05411	1.2
93.06967	1.2
95.04955	0.4
95.08540	0.7
97.02863	0.9
98.09681	1.9
98.23389	0.4
98.86629	0.5
105.03362	1.7
105.06956	1.4
106.74773	0.3
107.08522	0.6
110.09621	1.6
112.11210	0.5
117.06930	0.7
119.08500	1.0
121.06485	1.8
122.09657	0.8
123.04388	0.3
124.11194	2.4
127.03801	0.5
129.06929	0.6
131.08473	1.4
131.46135	0.3
133.06424	0.4
133.10107	0.6
141.06927	0.3
142.07745	0.5
143.08458	1.2
145.02798	0.9
152.10657	0.9
155.08472	1.1
157.10085	1.8
159.11577	0.7
160.11118	0.5
167.08472	0.5
169.09999	0.7
171.11658	0.9
173.05997	0.4
173.13223	0.5
177.05403	2.5
181.09985	0.8
183.11604	1.2
185.13245	0.4
193.10123	0.7
195.11633	0.7
197.13176	0.6
207.11670	0.5
209.13194	0.7
221.11484	0.4
223.14601	0.4
229.12122	0.5
233.52739	0.4
237.16226	0.6
249.16315	1.1
255.13596	0.8
283.16858	0.8
287.05453	6.2
294.22101	0.7
295.16827	0.8
311.18555	0.4
312.19513	10.7
322.21591	1.5
330.20688	0.4
340.22650	76.2
341.23001	3.2
358.23712	27.8
359.23959	1.0
372.21817	0.8
400.19525	0.5
400.24731	10.3
401.01398	0.3
418.25806	86.1
419.26120	4.1
502.27859	0.4
520.28601	0.5
580.31079	100.0
581.31512	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	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01861	10.3
55.05500	21.7
57.03432	11.5
61.02906	5.6
67.05499	30.3
69.03432	5.3
69.07065	21.2
69.45675	3.9
71.04984	9.3
79.05482	37.5
79.96217	4.3
81.03416	14.0
81.07048	65.1
83.04966	13.8
83.08619	18.4
85.02895	8.4
85.21158	3.8
87.93906	4.3
91.05455	23.5
93.07038	35.1
95.04961	27.4
95.08594	14.2
97.02859	6.1
97.06522	13.9
97.10159	18.9
100.11272	7.2
105.03374	9.8
105.07011	21.5
107.04919	10.8
107.08591	26.7
109.06516	9.2
109.10148	11.0
111.04444	13.7
111.08093	7.8
117.07012	11.9
119.08590	23.6
121.06495	12.4
121.10125	15.5
123.08045	26.1
125.09607	22.2
129.07024	5.2
131.08577	14.1
133.06566	4.7
133.10141	8.9
135.08064	7.9
135.11699	13.4
137.09575	9.4
143.08534	8.5
145.10094	15.9
147.07999	12.6
147.11656	7.2
149.09569	6.0
153.12732	8.0
158.18672	4.4
159.11844	4.5
161.09566	11.1
163.11166	21.3
165.09120	11.4
171.11673	6.8
175.11182	8.9
181.12303	5.3
187.36534	4.2
189.11208	24.6
191.10725	6.2
193.12233	10.0
223.42116	4.3
227.12772	15.5
273.18463	32.8
283.15424	8.4
289.79620	4.5
291.19504	100.0
291.22604	7.9
309.20596	12.1
347.22064	6.2
365.23196	88.5
383.24353	63.7
580.26300	13.1
580.34637	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01865	2.2
55.05508	4.3
56.05034	3.9
57.03430	3.0
57.07069	1.0
60.04519	100.0
61.02914	0.9
67.05500	11.1
68.05032	1.1
68.99762	0.9
69.03420	14.8
69.07058	3.5
69.63107	2.9
70.06586	1.5
71.05000	1.6
72.04516	2.8
73.02917	2.2
74.06071	2.5
76.90113	0.7
79.05483	7.3
80.05016	1.5
81.03407	11.0
81.07045	10.5
82.06583	1.0
83.08636	2.2
84.04499	1.4
85.02896	19.5
85.50169	0.6
86.06068	2.3
87.00822	7.0
87.37748	0.7
90.05573	0.7
91.05476	6.3
93.07042	5.9
94.06580	3.4
95.04960	2.4
95.08582	10.4
96.08121	1.6
97.02897	6.6
97.06533	0.9
97.10164	1.4
98.06053	1.2
99.04449	4.5
102.05529	3.1
102.17513	0.7
104.07117	2.8
104.08959	0.9
105.01877	2.7
105.03381	1.4
105.07043	2.5
107.08580	3.5
109.02863	10.0
109.10154	3.8
110.09677	1.2
111.04440	0.7
112.07621	0.9
115.03942	1.0
116.07061	0.7
119.08587	2.7
121.10146	3.0
123.11698	1.1
127.03893	12.6
127.04737	1.1
129.01875	2.0
131.08582	1.7
133.10141	2.0
135.11736	2.2
145.04962	2.1
147.02885	0.9
147.11636	1.1
149.13248	1.1
159.02921	2.0
170.08102	0.7
183.47917	0.7
231.05008	0.8
248.23799	1.3
260.23682	2.6
266.12204	1.1
266.24603	0.7
274.09201	0.9
278.24765	7.5
296.25806	9.4
301.46783	0.8
307.19031	0.8
310.11282	1.6
314.26852	18.6
315.27271	1.2
332.27914	58.0
333.28278	2.7
374.28970	3.0
383.24664	1.1
384.41119	0.9
494.33835	1.0
508.28757	0.9
518.33142	1.5
526.30505	1.1
536.34351	5.6
544.31183	1.5
562.31903	4.3
580.33215	55.6
581.33551	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	581.1495
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03429	3.8
61.02907	1.1
62.10427	0.4
67.08399	0.3
68.99796	0.5
69.03412	0.6
69.41936	0.6
69.42345	1.2
73.02905	7.7
81.03402	0.5
85.02880	1.3
89.03867	0.5
91.05492	0.3
97.02877	0.3
105.03370	1.0
107.04931	0.4
111.00737	0.5
115.03906	0.8
117.03346	1.8
118.03679	0.8
121.02847	2.9
121.06493	0.8
121.08468	0.3
133.02803	0.5
142.88229	0.3
145.02820	6.3
146.03114	1.8
147.04376	0.5
149.05971	1.0
150.06346	0.4
153.01799	3.2
165.01773	2.1
177.05431	13.2
178.05795	4.3
183.02814	0.8
185.05910	0.3
197.05968	0.4
213.05446	1.2
215.59053	0.4
231.06517	0.9
239.09024	0.9
241.04872	0.5
258.05194	1.3
259.06000	0.6
287.05441	100.0
288.05704	2.2
301.70367	0.4
340.22705	0.4
418.25891	0.7
449.10718	5.8
595.31915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
58.06576	0.5
81.03406	0.5
81.07030	0.9
91.05468	1.1
93.07043	0.8
95.08622	0.5
107.08599	0.5
109.06474	0.4
146.15596	0.3
193.12273	0.5
203.05200	0.6
234.96031	0.5
259.07938	1.7
283.15250	0.5
288.97775	0.4
345.20364	0.7
353.66599	0.4
414.26620	0.7
419.24063	2.5
460.26935	0.9
497.19791	0.7
531.25659	3.0
581.29242	100.0
582.29443	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	581.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04831	0.7
53.03942	1.0
53.55999	0.7
55.01862	2.1
55.05503	14.2
57.03432	3.6
57.07061	2.0
57.33873	0.7
58.51094	0.8
59.04979	0.7
65.03921	2.0
67.05495	25.8
69.03423	2.4
69.07058	14.5
71.05002	1.7
77.03938	0.9
79.05482	19.6
81.03414	1.1
81.07045	25.4
83.04987	2.6
83.08606	7.9
85.02885	0.8
85.06533	2.8
91.05466	18.2
93.07027	23.0
93.07594	1.3
95.04925	6.3
95.08590	17.9
97.06524	3.7
97.10177	2.4
98.22701	2.1
99.08125	1.8
100.19724	0.8
105.04527	1.7
105.07008	22.0
107.08572	16.3
107.09240	1.2
109.06531	2.4
109.10134	11.5
111.08077	1.3
111.11726	1.4
115.05437	1.8
117.07005	10.0
119.08558	21.3
121.06490	1.9
121.10130	13.9
123.08073	2.2
123.11703	2.7
125.09630	2.6
128.06238	3.4
129.05469	0.9
129.06966	12.8
130.07816	1.2
131.08539	14.9
131.09436	1.1
133.10110	23.3
135.08069	2.8
135.11674	6.5
137.09634	1.8
137.13252	1.4
139.11189	1.2
141.06976	5.6
142.07794	3.1
143.08534	15.5
144.09361	1.6
145.10094	16.9
147.08046	1.1
147.11664	8.1
149.09624	2.4
149.13271	3.1
151.07553	1.1
151.11223	0.8
153.06960	1.3
154.07790	2.0
155.01155	0.8
155.08522	11.9
156.09354	3.5
157.10106	18.9
157.11356	1.0
158.10956	1.6
159.08093	1.7
159.11646	12.1
161.09676	1.6
161.13222	4.6
163.11220	1.7
163.14810	1.5
165.06963	1.7
165.09125	1.9
166.07788	1.6
167.08528	5.7
167.10651	9.5
168.09352	2.3
169.10115	14.5
170.10899	1.5
171.11655	14.0
172.12314	1.1
173.09715	1.3
173.13226	9.7
175.11232	1.2
175.14771	4.7
177.12755	1.0
179.08585	3.5
180.09352	1.8
181.10106	10.3
182.10912	2.3
183.11655	16.1
184.12338	1.3
185.11673	1.6
185.13217	10.7
186.13760	0.8
187.11200	1.6
187.14760	5.1
189.12730	1.6
189.16428	1.4
191.14363	1.6
193.10149	5.0
194.10924	2.6
195.11649	12.0
196.12401	1.3
197.13217	12.2
199.11258	1.0
199.13223	1.2
199.14809	6.5
201.16333	1.6
203.14360	1.4
205.10265	1.0
206.10867	1.1
207.11662	6.6
208.12393	1.5
209.13237	10.1
209.14909	1.0
210.14015	1.3
211.11378	1.1
211.14789	9.3
213.12854	1.1
213.14647	1.0
213.16406	3.7
215.14423	1.4
215.17931	1.7
219.11755	2.1
221.13258	5.1
221.15454	2.9
222.14085	0.9
223.14751	7.9
225.16379	5.3
227.14417	0.8
227.17970	3.4
233.13239	2.0
233.15457	3.9
235.14798	4.3
237.12791	1.0
237.16315	5.0
239.14323	1.2
239.17883	3.9
241.19647	1.3
245.13326	1.3
247.14873	2.2
249.16389	2.9
251.14442	1.0
251.18004	3.5
253.19647	2.5
255.17401	1.1
257.13489	0.9
257.19070	1.4
261.16473	2.0
263.18027	2.6
265.19568	1.6
269.19058	1.3
273.18796	1.2
275.17850	1.8
277.19540	1.4
279.17676	0.9
279.20996	1.0
283.20679	1.3
289.19312	0.9
291.21262	1.7
293.18820	1.0
297.22110	1.1
299.20374	1.1
309.22211	1.2
311.20300	1.4
321.12894	0.9
321.22156	1.1
323.23743	1.9
337.25165	1.9
349.25409	1.3
351.23062	1.1
351.26978	1.1
355.26654	0.9
361.25311	1.1
363.27094	1.0
377.28345	1.7
391.30145	1.0
401.28259	1.1
405.27121	1.2
407.29535	1.2
419.29333	2.3
421.30994	1.1
443.28629	0.9
445.30255	1.0
447.31308	1.2
471.30460	1.1
471.36426	2.9
489.37207	12.8
507.38550	4.7
511.34079	2.3
545.39813	1.8
563.40668	12.0
581.41791	100.0
582.42206	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.01870	4.0
56.06363	0.7
56.42648	0.9
57.03426	3.2
61.02921	2.1
62.30734	0.8
68.99783	3.0
69.03423	19.2
71.04986	3.1
71.60084	0.8
73.02902	3.5
81.03407	30.7
81.07056	1.5
85.02895	29.5
85.03407	1.5
87.00822	14.4
95.04976	0.9
97.02885	14.1
98.23514	1.3
99.04433	7.2
105.01826	5.2
105.03368	1.0
107.01320	1.7
109.02867	29.4
109.10160	1.1
111.04403	1.3
117.01869	3.0
127.03896	28.6
129.01822	2.4
137.02321	100.0
138.05499	7.2
138.23291	0.8
145.04935	9.1
147.02875	1.0
155.03391	1.9
159.02892	9.1
166.04974	92.9
167.05312	1.3
179.03406	1.6
192.02916	3.8
195.02818	1.3
198.07584	42.7
213.03922	12.9
223.02440	2.4
231.04910	5.5
302.06552	69.1
303.06897	1.6
334.09134	24.6
335.09451	1.0
367.06601	1.2
469.73886	0.9
591.45892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	0.5
56.04996	1.2
58.06593	6.1
67.05466	0.5
69.03387	0.3
69.16734	1.9
70.09940	0.3
72.08144	2.2
74.06070	0.4
77.03876	0.3
79.05487	1.5
81.07030	1.7
82.06549	0.4
84.08124	1.8
86.09658	0.5
90.80986	0.3
91.05460	1.8
93.07023	1.9
95.04916	0.9
95.08618	1.5
96.08077	0.9
98.09692	1.8
105.03378	4.0
105.04466	0.4
105.07030	2.6
107.04868	0.4
107.08563	0.9
108.08095	0.7
110.09624	1.0
112.07516	0.3
114.09144	0.5
115.05376	0.6
117.06972	1.3
119.08495	1.0
121.06474	0.5
122.09592	0.9
128.06184	0.4
129.06998	1.8
131.08551	1.7
133.06458	0.6
133.10063	0.8
138.12762	0.3
141.06935	1.2
142.07693	0.5
143.08495	1.3
144.08026	0.3
145.06422	0.5
145.10063	1.1
154.07706	0.3
155.08499	1.4
157.10095	1.5
158.09648	0.5
159.11649	0.5
160.11246	0.3
165.06926	1.0
166.07701	0.7
167.08543	2.3
169.06374	0.4
169.10085	2.4
171.06645	0.4
171.07999	0.5
171.11659	1.0
172.11134	1.3
173.13252	0.4
174.12720	0.5
178.07677	0.5
179.08540	2.1
180.09300	0.5
181.10101	2.6
183.11626	1.1
184.07341	1.5
184.11044	0.3
185.11772	0.4
186.12733	0.9
188.14407	0.4
191.08658	0.4
192.09186	0.8
193.10085	1.8
195.08043	0.4
195.11696	1.6
197.09624	1.5
197.13245	0.7
198.12677	0.4
200.14279	1.2
202.15846	0.7
205.10097	1.0
206.15393	1.1
207.11684	1.4
209.09555	0.6
209.13202	1.1
210.12653	0.4
211.11192	0.7
211.14830	0.5
212.14203	0.5
213.12642	0.3
214.15802	0.7
215.16650	0.5
216.09357	0.4
217.10194	0.7
218.10797	0.4
219.11649	0.8
221.13199	0.7
223.11227	0.5
223.14845	0.7
224.14238	0.5
226.15884	0.6
227.10568	0.4
229.10077	0.5
230.10858	0.4
231.11609	0.5
233.13153	0.6
235.11154	0.8
235.14853	0.5
236.14331	0.4
237.12625	0.9
237.16328	0.5
238.15793	0.4
240.13557	0.5
240.17496	0.6
244.16843	0.6
249.12547	1.8
249.16386	1.3
250.15952	0.6
251.14124	0.6
262.15988	0.5
264.17630	0.5
265.14896	0.3
266.18951	0.9
267.17383	0.4
268.20517	0.3
276.17386	0.5
277.15848	0.9
278.19031	0.6
282.14999	0.4
282.18436	0.5
292.20572	0.4
293.21249	0.3
294.18481	2.0
294.22134	1.2
295.16843	0.5
296.16293	0.5
304.20557	0.9
310.17847	0.3
312.19592	3.2
312.22952	0.6
322.17828	0.5
322.21603	8.0
324.19629	0.5
326.21179	0.5
339.22021	0.4
340.22659	42.0
341.23007	1.3
354.20563	0.9
358.23819	0.5
364.22601	1.1
382.23697	10.5
383.23660	0.6
400.24747	1.8
414.22662	1.4
424.24734	0.7
442.25845	32.8
443.26297	1.4
460.26917	1.4
504.27267	0.8
534.86481	0.3
564.29468	24.0
565.29840	1.5
582.30511	100.0
583.30878	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	582.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.4
55.05495	8.7
57.03432	8.1
57.07044	3.8
59.04967	3.8
63.35381	2.8
65.03929	3.1
67.05488	12.1
69.03420	40.6
69.07047	8.1
69.97700	6.8
69.98067	7.4
71.04980	32.3
79.05475	13.3
81.06638	4.0
81.07029	23.6
83.04969	4.1
83.08587	5.1
85.02905	25.8
85.06521	5.8
87.04454	15.8
91.05480	15.6
93.07024	44.4
95.04955	100.0
95.08566	13.1
97.02866	24.1
97.06524	7.5
97.10148	4.9
99.08082	31.5
105.07014	25.5
107.07911	5.4
107.08571	55.7
109.06516	8.5
109.10168	24.5
115.03885	21.8
119.08559	21.9
121.06503	8.0
121.10124	23.2
123.08087	6.3
123.11717	4.9
125.09603	29.1
127.03882	4.2
127.07531	32.9
127.11158	19.2
129.09036	4.0
131.08549	27.5
133.04974	27.0
133.10095	17.9
135.11707	4.4
137.05951	3.3
137.09604	9.1
143.08618	3.2
143.10661	61.2
145.04810	3.4
145.10100	29.1
147.11697	16.8
149.09589	20.0
156.61102	3.4
157.10104	9.7
159.11656	10.6
163.11192	6.5
178.56285	3.0
187.14719	4.0
189.16377	7.2
191.14244	3.4
199.14810	7.8
205.15865	14.7
217.15845	43.2
223.16914	15.5
235.16891	84.4
253.17938	43.7
287.05240	4.5
397.22055	4.2
529.25934	6.6
530.08063	3.4
582.32196	5.1
591.08539	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	582.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.5
55.05506	7.0
57.03427	8.1
58.06612	2.3
59.04988	4.7
64.57110	2.2
67.05485	12.9
69.03422	33.3
69.07059	7.9
69.38583	7.6
71.04985	31.0
73.02906	5.4
79.05482	15.9
81.07055	29.5
81.51672	2.3
83.04967	7.3
83.08615	3.7
85.02892	28.1
85.06544	6.6
87.04454	21.0
91.05463	16.9
93.07040	36.1
95.04957	98.0
95.08602	13.2
97.02870	27.8
97.03399	2.6
97.06532	8.9
97.10178	4.5
99.04427	2.5
99.08083	34.8
105.03372	2.2
105.07011	28.7
107.04914	2.3
107.08584	48.1
109.02863	2.3
109.06531	9.5
109.10146	28.2
111.08086	2.8
113.05993	3.0
113.09589	2.6
115.03922	27.0
115.05450	2.3
117.06999	4.7
118.87075	1.9
119.08580	22.9
121.02843	2.5
121.06519	9.2
121.10152	20.2
123.08087	7.4
123.11746	3.4
125.09618	29.1
127.03864	3.9
127.07542	28.4
127.11187	20.4
128.50056	1.8
129.07039	4.5
129.09129	6.5
131.08546	26.4
133.04947	31.3
133.10136	20.7
135.08049	6.6
135.11699	5.8
137.09592	12.4
139.11154	4.1
141.09164	2.7
142.07744	2.1
143.08595	5.6
143.10658	68.1
145.04935	2.0
145.10112	24.3
147.11682	17.2
149.09604	18.1
149.13322	2.2
153.12715	3.8
155.10658	3.9
157.10110	8.1
159.11717	10.0
161.09613	5.5
163.11176	7.3
165.12767	4.3
173.13277	4.7
175.11185	3.4
175.14816	7.2
177.12830	3.1
179.10573	2.2
187.14816	2.9
189.16454	5.4
191.14333	2.6
199.14775	7.7
201.16054	2.2
205.15854	15.5
207.13759	2.3
217.15845	43.1
219.17374	3.0
223.16899	14.1
235.16905	100.0
253.14420	9.3
253.17987	45.9
254.18048	2.3
259.16840	2.2
283.06076	3.0
284.06354	3.2
285.06839	2.0
287.05502	8.1
288.05820	13.7
314.07278	3.8
315.07733	3.5
316.07993	3.5
328.85263	1.9
331.18839	2.3
367.21289	2.8
397.22272	7.9
436.12070	4.4
460.85947	2.2
529.26172	9.2
582.24695	3.8
582.32843	8.0
599.84448	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	582.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05038	1.0
58.06591	5.5
59.04998	0.7
65.58784	0.4
67.05496	1.0
69.07083	0.4
69.69270	1.6
70.06580	1.0
71.04985	2.1
72.08147	4.3
75.04460	1.5
79.05484	2.2
81.03436	0.5
81.07055	0.6
84.08145	0.6
85.06544	1.1
87.04420	0.5
88.07634	0.7
91.05453	3.6
93.07049	1.4
93.19545	0.4
95.04967	0.7
97.06539	0.7
97.10081	0.4
98.09698	0.6
98.22693	0.6
102.09148	2.8
103.05466	4.9
105.03446	0.6
105.07013	2.9
107.04967	0.8
108.08102	3.7
109.06503	0.9
110.09679	0.4
115.05464	0.8
117.06982	2.5
119.08594	0.7
120.82610	0.4
121.06506	1.0
122.09676	1.7
128.06192	1.1
129.06996	2.7
131.04926	5.6
131.08563	2.0
133.06538	0.4
134.09622	0.5
135.08058	1.1
136.11162	0.4
137.09665	0.6
138.09099	1.1
141.07014	1.5
143.08568	1.8
145.10132	0.8
146.09686	0.5
147.08095	0.9
148.11230	0.8
149.09689	0.6
150.09184	0.7
152.10735	0.8
153.07063	0.6
154.07767	0.5
154.12289	0.7
155.08490	2.4
157.10136	0.9
158.09679	0.8
160.11182	0.7
161.09641	0.7
162.12816	0.5
163.07591	0.8
165.07004	1.2
166.07742	0.9
167.08505	2.3
169.10107	1.1
171.08089	0.6
172.11220	1.4
177.09138	0.7
178.07756	0.7
178.12286	0.7
179.08562	1.8
181.10112	1.6
184.11278	0.5
186.12805	0.6
187.11232	0.4
188.10765	0.6
191.08586	1.1
192.09340	0.7
193.10181	1.6
195.11780	1.0
197.09674	0.8
198.12787	0.6
199.11302	0.5
203.08563	0.9
204.09381	0.6
205.10217	1.7
207.11743	1.5
210.12679	0.6
212.92139	0.5
216.09471	0.7
216.91765	0.4
217.10184	0.7
218.10756	0.5
219.11804	0.6
221.13301	1.0
233.13423	0.5
235.20645	0.6
236.14273	0.5
249.12756	0.8
253.15871	0.7
253.21625	0.8
256.16470	0.5
258.19193	0.5
263.14386	0.5
278.15555	0.7
280.17157	0.9
281.15436	0.9
294.18628	1.2
306.18625	0.6
310.18091	1.2
312.19470	0.8
313.17960	0.7
324.19501	1.0
326.21167	1.6
338.21045	4.2
340.22803	1.3
341.29706	0.4
342.20700	1.4
344.21906	0.6
356.22391	0.6
370.23712	13.5
371.24493	0.9
374.23203	8.8
388.25171	0.6
402.26324	47.6
403.26810	1.7
428.24551	0.5
434.28958	51.4
435.29272	2.4
442.25879	0.7
460.27161	0.7
564.29456	0.5
582.34235	100.0
583.34625	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	582.342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.5
58.06589	8.8
59.04991	0.6
59.49411	0.5
69.73209	1.6
70.06578	1.7
71.04982	1.2
72.08154	1.5
79.05496	0.8
81.07040	0.6
84.08134	0.7
91.05472	6.3
93.07028	1.0
98.09715	1.3
98.22617	0.6
102.09162	9.3
103.05423	1.0
103.15663	0.5
105.07030	2.0
107.08612	0.6
108.08100	3.2
109.06520	0.6
117.06987	1.2
119.08556	1.0
121.08893	0.5
122.09673	1.0
124.11222	0.6
128.06177	0.5
128.10712	0.7
128.27715	0.5
129.06992	2.2
131.08580	1.7
134.09605	0.5
135.08029	2.2
141.06995	1.2
143.08536	1.3
145.06421	0.4
146.09608	0.6
148.11194	0.6
152.10744	0.7
153.07005	0.7
154.12207	0.6
155.08534	1.4
157.10045	0.7
158.09630	1.9
160.11232	0.8
160.82405	0.4
161.09625	0.6
165.07057	1.2
167.08577	1.7
169.10146	0.9
171.08109	0.7
172.11243	1.2
178.07790	0.5
178.12192	0.7
179.08540	1.9
181.10182	1.0
185.09560	0.5
186.12790	0.5
191.08636	0.6
192.09367	0.6
193.10159	1.6
195.11725	0.5
198.12772	0.6
203.08615	0.6
204.09341	1.7
205.10022	1.0
207.11693	0.9
210.12749	0.5
211.11266	0.6
217.10138	1.4
218.11134	0.6
219.11717	1.5
222.12790	0.6
223.11124	0.5
230.10867	0.5
233.13336	1.1
245.13242	1.0
248.14278	0.5
262.16034	0.8
265.15958	0.7
290.18973	0.8
322.21582	1.1
326.21158	1.6
338.20993	0.5
340.22653	0.7
350.21140	0.9
354.24213	0.9
369.71979	0.5
382.23669	12.7
383.24463	0.5
383.60721	0.5
386.23148	8.2
400.25504	0.5
402.26218	0.9
414.26315	43.0
415.26627	1.1
432.27515	0.8
434.29077	1.2
446.28952	17.7
447.29562	0.9
458.88596	0.5
550.31665	1.8
582.34174	100.0
583.34656	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	582.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	18.6
57.07053	8.0
59.04977	12.6
59.21627	8.3
66.98807	9.3
67.05482	18.3
69.03422	9.6
69.07059	18.9
69.51229	25.0
69.51633	14.8
79.05470	36.1
81.07030	50.3
85.06532	8.1
91.05444	37.0
93.07034	59.4
95.04963	84.6
95.08587	23.8
105.07009	75.9
107.08575	55.5
109.06496	19.9
109.10155	20.7
115.05401	10.8
117.06982	29.9
119.08570	84.4
121.06484	9.7
121.10137	52.9
121.12402	8.4
123.08028	19.8
123.11649	8.9
128.06226	9.1
129.06967	16.2
130.07715	8.8
131.08557	50.6
133.06386	8.5
133.10133	51.0
135.08023	27.1
135.11606	8.5
142.07796	18.0
143.08533	73.0
144.09242	11.3
145.10080	79.0
147.07982	15.2
147.11655	31.7
148.08879	10.6
149.09592	13.3
155.08501	21.9
156.09305	21.2
157.10126	77.2
158.10912	13.9
159.08003	14.7
159.11678	34.0
161.09586	21.2
167.08514	15.3
167.10652	9.3
169.10066	46.9
170.10841	13.3
171.11613	49.0
173.09567	27.9
173.13248	33.4
179.08597	11.7
181.10022	25.4
182.10942	9.9
183.11690	51.3
185.09546	12.2
185.13220	23.3
187.11156	18.0
189.12720	13.5
191.14333	11.8
193.10081	19.7
194.10904	12.8
195.11700	41.0
197.13260	35.5
199.11110	17.4
199.14890	12.6
206.10947	14.2
207.11632	27.7
208.12497	16.5
209.13211	29.1
210.13924	9.6
211.14754	21.3
213.12758	10.7
221.13228	17.6
223.14793	23.7
225.12578	11.1
227.14177	18.3
233.13321	15.2
235.14655	11.6
239.14207	12.4
239.17984	10.3
247.14813	12.1
253.15833	12.6
263.14401	10.7
265.15860	15.6
271.17191	13.6
273.15891	12.7
273.18488	91.2
291.21021	10.3
299.19977	20.1
319.20428	13.2
337.21628	42.0
352.23923	100.0
365.24860	12.4
429.27692	13.4
444.30157	33.8
490.34631	15.5
580.86066	9.2
582.40411	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15960	0.5
67.05487	0.8
71.44250	0.4
79.05478	0.5
93.07030	0.5
95.04971	0.8
95.08601	0.5
96.51141	0.4
107.08606	0.5
115.03194	0.4
185.04260	0.7
259.08163	1.1
264.22302	0.4
275.20029	0.5
331.10007	0.7
347.21707	0.7
421.25629	1.7
441.20959	2.2
457.20523	0.5
462.28729	0.5
499.21390	10.4
512.03699	0.5
583.30798	100.0
584.31360	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.01853	3.2
55.05504	22.4
57.07078	12.3
59.04994	3.6
65.03928	3.5
67.05495	34.4
68.82330	2.5
69.03419	15.1
69.07056	14.3
69.07559	18.7
69.32781	2.8
79.05483	33.4
81.03400	3.4
81.07045	51.3
83.04976	6.5
83.08595	14.4
85.06556	4.8
91.05462	48.3
93.07038	57.0
95.04960	23.3
95.08583	35.2
97.06522	6.6
97.10143	3.9
98.23445	4.8
103.05465	4.5
105.04501	2.9
105.07015	60.7
105.75809	2.5
107.04929	6.5
107.08578	49.4
109.06499	15.5
109.10143	23.1
111.08035	6.4
115.05458	6.2
117.07019	17.9
119.08563	64.8
121.06483	9.7
121.10133	35.2
122.07242	3.4
123.08051	24.6
123.11657	4.6
125.09646	3.0
128.06172	6.1
129.06949	12.1
130.07845	4.8
131.08542	37.2
133.06433	5.1
133.10110	38.6
135.08008	16.3
135.11673	16.8
137.09578	37.0
139.07504	4.5
141.06964	3.0
142.07748	12.2
143.08562	27.1
144.09341	4.5
145.06451	3.1
145.10106	51.2
147.08020	40.4
147.11656	14.0
149.09598	10.4
151.07495	13.4
151.11139	5.4
155.08527	10.3
156.09302	8.4
157.10114	26.0
159.11681	28.9
161.09631	12.4
161.13258	11.0
163.11185	13.4
165.09093	80.3
167.08582	5.8
168.09328	6.2
169.10115	14.9
170.10818	6.7
171.11681	21.7
172.12422	4.5
173.09587	5.8
173.13249	10.2
174.10103	2.8
175.11093	6.7
175.14801	8.7
179.08553	5.2
181.10098	7.0
182.10924	7.3
183.11621	18.5
185.13219	9.3
187.11014	2.5
187.14786	9.1
189.12701	6.2
193.10146	6.1
194.10841	3.9
195.11694	10.4
196.12373	3.9
197.13231	11.6
199.14841	3.2
203.14307	22.6
207.11617	7.4
207.13680	5.7
209.13248	10.5
211.14795	5.7
213.16397	3.7
217.16054	2.7
221.13245	8.3
221.15305	100.0
223.14853	5.6
233.15305	3.2
234.95375	2.7
235.14902	4.4
237.16356	4.5
251.18089	3.6
257.18985	4.3
273.18491	6.3
275.20041	9.8
291.19604	5.3
437.30704	3.5
473.33826	5.6
491.35019	8.7
503.35059	5.9
565.40320	5.0
583.41699	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	583.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17956	1.7
53.03947	3.0
53.87150	1.8
55.05504	16.7
55.36016	2.4
57.07061	14.7
59.05000	4.1
63.02369	1.9
65.03934	4.2
67.05491	28.6
68.90762	2.0
69.03414	7.8
69.07060	25.7
69.09922	2.2
74.64909	2.1
77.03924	1.9
79.05479	34.7
81.07046	35.3
83.04969	6.9
83.08166	1.7
83.08618	11.5
85.06537	8.4
88.54521	2.3
91.05464	61.4
93.07029	60.5
95.04961	19.8
95.08593	36.9
97.06516	7.2
103.05473	5.8
105.04472	3.8
105.07013	94.4
107.08579	61.5
109.06519	12.7
109.10146	23.3
111.08086	4.2
115.05431	6.3
117.06996	23.5
119.08561	100.0
121.06491	5.9
121.10126	56.2
123.08037	15.8
123.11707	4.7
125.05968	3.0
128.06221	14.5
129.06993	22.2
130.07770	8.2
131.08539	42.5
133.06497	2.7
133.10107	40.9
135.08061	10.6
135.11655	18.0
137.09612	7.6
141.06926	12.5
142.07756	33.4
143.08548	50.9
144.09328	11.5
145.06470	2.3
145.10103	58.1
147.08022	14.4
147.11656	19.0
149.09601	9.7
149.13249	4.1
151.07533	10.3
152.06181	2.6
153.07014	7.1
154.07762	4.6
155.08522	21.5
156.09334	25.2
157.10110	61.7
158.10905	10.3
159.08069	5.6
159.11673	30.3
161.09637	5.6
161.13242	6.0
163.11165	8.6
165.07042	11.0
165.09099	27.0
166.07762	4.4
167.08539	13.7
167.10640	13.8
168.09332	10.3
169.10100	36.6
169.11443	2.7
170.10872	11.5
171.11670	37.9
172.12410	2.1
173.09610	7.2
173.13229	25.9
175.11118	4.3
175.14836	6.9
177.09029	2.3
179.08557	21.5
180.09317	9.0
181.10117	16.7
181.12260	7.3
182.10895	12.4
183.11674	33.9
184.12457	7.7
185.09601	2.8
185.13234	15.2
187.14816	9.2
189.12715	6.5
191.08463	4.2
191.14235	12.3
192.09340	5.5
193.10091	15.7
194.10880	13.4
195.11668	30.5
196.12456	5.8
197.09570	2.4
197.13232	24.2
198.13954	2.5
199.11142	3.0
199.14789	22.4
201.12724	3.3
201.16457	3.9
203.14336	8.3
205.10127	8.5
206.10960	10.9
207.11693	23.3
207.13634	4.9
208.12413	6.1
209.13240	30.3
209.15196	4.1
210.13927	5.6
211.14774	14.6
212.54805	2.4
213.12750	4.1
213.16373	5.0
215.14345	2.5
217.10127	6.6
217.15805	10.7
218.10873	5.2
219.11687	11.8
220.12421	9.5
221.13223	21.8
221.15369	44.7
222.13931	6.2
223.14752	19.6
224.15526	5.2
225.12659	2.4
225.16394	7.3
227.14325	2.4
230.10736	2.4
231.11748	3.8
232.12448	4.9
233.13231	12.0
233.15390	7.7
234.13948	3.4
235.14790	16.5
236.15392	4.0
237.12451	2.5
237.16370	7.9
239.17874	4.9
240.79909	2.4
243.11678	4.9
244.12550	3.0
245.13132	11.5
246.14059	5.4
247.14845	10.3
247.16998	4.2
249.16365	10.2
251.18015	6.1
253.15822	2.9
255.17386	2.8
257.13214	3.0
257.18808	10.8
258.13953	3.7
259.14771	7.7
260.15530	6.3
261.16382	12.0
262.17276	3.6
263.17926	6.1
265.16013	2.2
265.19434	9.2
271.14606	3.3
273.16351	7.4
274.16934	2.7
275.17816	13.6
277.19443	5.1
281.18805	2.2
283.20490	18.1
285.16129	2.7
287.17670	4.7
289.19452	3.8
291.21362	3.3
293.18942	2.2
295.20557	4.3
316.21848	2.6
331.20609	2.4
331.24158	4.7
333.22287	3.3
349.25229	6.7
365.24908	2.5
375.26559	5.7
427.29883	2.9
491.35233	4.5
504.48474	2.1
547.39478	3.3
565.40240	13.7
583.41388	55.7
584.41663	4.2
589.21844	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	583.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03940	3.2
53.25327	1.3
53.45313	1.3
55.01853	1.9
55.05286	1.7
55.05505	19.9
57.03436	2.0
57.07065	13.8
59.04987	4.1
65.03931	8.2
65.61042	1.2
66.05939	1.3
67.05151	2.2
67.05495	35.2
68.89787	1.3
69.03422	7.7
69.06706	2.1
69.07061	24.1
69.14796	2.9
69.15205	5.0
71.04983	2.5
71.08625	1.5
72.84743	1.3
77.03928	3.7
79.05482	42.5
80.05827	1.5
81.07045	42.2
83.04964	9.9
83.08611	11.3
85.06550	7.1
91.05466	64.0
92.05755	1.4
92.06269	1.9
93.06436	3.1
93.07033	61.0
94.07378	1.5
95.04958	23.4
95.08594	36.4
97.06527	6.1
97.10148	2.0
103.05418	7.9
105.04504	5.3
105.07019	95.9
106.23309	1.3
107.04944	2.8
107.08579	50.9
109.06502	13.5
109.10146	23.3
111.08071	2.1
111.11695	1.5
115.05439	7.8
116.06224	2.3
117.07006	22.0
119.08564	100.0
121.06494	5.7
121.10128	54.1
122.10452	2.1
123.08060	16.4
123.11679	6.4
125.06004	3.9
125.09634	2.9
128.06198	20.9
129.06981	26.2
130.07773	10.3
131.08553	44.9
133.06471	4.0
133.09160	3.0
133.10123	44.2
134.10747	1.2
135.08060	13.2
135.11667	16.7
137.09595	9.6
137.13181	1.5
139.11150	2.3
141.06963	14.1
141.26617	1.5
142.07768	37.5
143.08548	55.8
144.09328	12.0
145.06444	1.3
145.10112	63.5
147.08037	17.0
147.11659	17.7
149.09549	6.8
149.13242	3.0
151.07539	11.7
151.11148	1.9
153.06978	6.4
154.07802	4.5
155.06010	1.4
155.08549	25.0
156.09332	23.6
157.10110	66.9
158.10881	11.8
159.08037	5.5
159.11685	26.6
160.12325	1.6
161.09644	5.4
161.13239	8.3
163.11143	7.9
165.07018	11.3
165.09093	22.0
166.07779	5.0
167.08571	16.3
167.10658	12.9
168.09343	11.8
169.10100	38.7
170.10870	10.8
171.11671	32.9
172.12415	2.8
173.09605	5.8
173.13240	29.9
175.11211	3.4
175.14819	8.1
177.12772	2.1
178.07837	2.7
179.08549	21.8
180.09346	9.7
181.10097	20.7
181.12251	4.3
182.10910	10.9
183.11649	29.3
184.12456	6.2
185.09616	3.1
185.13217	19.8
187.11101	2.3
187.14810	6.8
189.12770	4.0
191.08556	4.0
191.14294	11.6
192.09250	8.5
193.10117	22.1
193.11958	2.4
194.10905	17.6
195.11664	23.7
196.12454	8.9
197.13214	23.7
198.13956	3.1
199.11186	3.3
199.14796	18.1
201.12704	2.8
201.16420	2.2
203.08606	1.8
203.14282	10.3
204.09340	2.3
205.10127	7.5
205.11824	1.4
206.10876	10.7
207.11684	23.9
207.13783	4.7
208.12422	8.9
209.13263	31.1
209.15189	2.7
210.14030	3.9
211.14799	12.5
213.12862	2.4
213.16344	5.1
215.08626	1.6
215.14265	2.8
216.09361	3.3
217.10144	6.4
217.12390	1.6
217.15892	10.4
218.10913	6.5
219.11748	8.5
219.13562	1.6
220.12465	9.8
221.13235	20.4
221.15373	36.5
222.13982	5.8
223.11232	2.5
223.14755	15.1
224.15556	1.7
225.12794	1.8
225.16397	6.6
227.14240	2.2
229.10135	3.4
230.10922	3.5
231.11765	7.7
231.13716	1.4
232.12482	5.0
233.13359	11.0
233.15021	10.0
234.14070	7.0
235.14778	11.8
236.15549	4.1
237.16353	7.5
239.14380	1.5
239.17937	4.0
241.15869	1.9
242.10706	1.6
243.11674	3.8
243.17445	1.7
244.12534	4.6
245.13242	9.0
246.14081	7.4
247.14812	11.2
247.16910	2.0
248.15364	1.5
249.12750	1.9
249.16409	11.1
250.17094	2.6
251.17999	5.0
253.15791	2.0
253.19443	2.4
255.11656	2.3
255.17450	2.5
257.13190	3.2
257.18964	8.4
258.14124	3.7
259.14844	7.9
260.15585	5.8
261.16379	12.0
262.17038	2.8
263.14108	2.0
263.17932	6.7
265.15952	1.9
265.19525	7.9
269.19006	3.3
271.14886	4.2
272.15619	1.8
273.16321	4.6
273.18823	1.9
274.16983	2.7
275.17807	11.7
277.19421	4.7
281.19025	3.4
283.14813	2.6
283.20499	17.1
285.16119	2.1
286.17056	1.7
287.20349	2.0
288.18546	2.0
289.19333	3.9
290.20374	2.2
291.17636	1.4
291.20987	3.1
293.18970	2.7
295.20444	2.5
297.16354	2.4
297.22028	2.6
299.17688	2.0
300.20877	2.8
301.19388	2.4
303.20908	2.1
307.20651	2.8
315.20816	1.7
319.20639	1.6
323.23773	1.7
329.22464	1.8
331.24170	5.4
333.22223	1.5
347.23706	2.7
349.25317	5.0
361.25003	2.8
375.26920	3.6
403.29965	4.1
456.53030	1.6
491.35098	6.1
547.39520	2.8
565.40417	10.9
583.41339	54.8
584.41412	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.9
57.07067	7.7
59.04993	3.0
63.08349	2.4
67.05495	22.5
69.03435	6.1
69.07038	10.4
79.05478	18.3
81.07043	26.9
83.04990	2.4
83.08624	6.1
85.06534	4.2
91.05475	30.3
93.07028	42.8
93.07596	3.0
95.04953	11.6
95.08592	34.3
97.06494	2.8
98.23459	8.3
105.07014	48.4
107.08567	23.4
109.06518	8.9
109.10152	11.1
111.08044	2.4
115.05466	3.0
117.07024	9.3
119.08558	47.2
121.06509	3.4
121.10130	25.1
123.08054	21.7
123.11707	4.1
128.06236	6.9
129.06973	13.3
130.07852	2.8
131.08560	21.5
133.10109	23.8
135.08034	11.9
135.11681	6.9
137.09651	9.2
141.07034	5.6
142.07765	13.3
143.08553	20.0
144.09290	3.2
145.10092	33.6
147.08035	15.7
147.11713	8.6
149.09631	3.0
151.07518	29.0
153.06915	3.9
155.08545	8.4
156.09344	11.5
157.10106	31.9
158.10852	2.4
159.11630	16.5
161.09676	5.4
161.13280	10.1
163.11200	4.5
165.06990	3.7
165.09088	36.1
167.08568	4.4
169.10101	14.5
170.10945	3.8
171.08029	2.9
171.11670	23.1
173.09648	2.7
173.13228	14.1
175.11234	5.0
175.14807	2.7
179.08588	4.6
180.09361	2.3
181.10135	8.3
181.12340	4.2
182.10934	4.2
183.11653	13.1
184.12492	2.7
185.13234	20.0
187.11058	2.4
187.14896	6.4
189.12820	7.7
191.14351	3.1
193.10205	7.2
194.10860	4.9
195.11676	10.9
196.12381	4.8
197.13168	17.9
199.11205	2.9
199.14827	6.7
203.14265	18.4
205.10101	4.7
206.10913	3.6
207.11740	8.4
207.13828	8.8
208.12553	5.1
209.13260	13.3
210.14066	2.5
211.14841	8.7
213.16443	4.4
219.17451	6.3
220.12459	4.5
221.13268	6.3
221.15317	53.7
222.13904	4.0
223.14937	7.5
225.16348	4.2
233.13332	6.1
235.14879	5.5
236.15741	4.0
237.16467	4.7
239.73431	2.4
247.14691	4.4
247.16986	2.9
249.16531	4.7
251.17978	3.8
253.19586	4.6
257.18866	2.7
259.14932	2.7
261.16327	2.9
263.17896	4.4
269.13132	3.0
271.20563	3.6
275.17676	3.8
275.20380	4.6
279.21222	2.5
283.20343	3.9
287.20306	2.8
295.20471	5.4
297.22314	4.5
309.22299	2.9
349.25485	4.3
357.25464	3.6
365.24854	3.8
375.26813	4.6
403.30038	11.1
503.35327	6.7
509.34277	2.4
547.39520	2.8
565.40369	33.8
583.41473	100.0
584.41711	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68454	6.0
53.03944	7.4
53.64194	5.3
55.05505	23.8
57.07049	7.9
65.03919	10.4
65.70041	5.8
67.05212	5.7
67.05501	46.0
69.03409	9.4
69.07146	29.9
78.42676	5.1
79.05489	50.1
80.23153	5.7
81.07057	61.0
83.04969	14.3
83.08593	12.6
89.06017	13.5
91.05461	53.5
93.07038	65.0
95.04985	16.9
95.08569	44.8
97.06500	6.6
98.16867	5.6
98.23429	15.6
102.71133	7.0
105.07023	88.0
107.08572	56.5
109.06510	12.5
109.10123	29.0
113.75912	6.0
115.05439	12.4
117.06950	29.2
119.08553	97.3
121.10127	63.8
123.08055	7.9
123.11713	10.1
128.06252	13.6
129.06998	23.2
130.07726	6.9
131.08559	47.6
133.08583	8.4
133.10104	55.8
135.08020	13.6
135.11690	13.9
135.96315	6.1
137.09584	11.0
142.07796	27.3
143.08556	53.9
144.09363	18.5
145.10104	72.1
147.08035	16.6
147.11667	21.7
149.09636	9.0
149.13231	8.8
149.86769	6.1
151.07539	13.7
154.07788	7.8
155.08562	23.6
156.09335	20.5
157.10110	60.1
158.10846	8.5
159.11673	31.4
161.09592	8.6
161.13269	17.0
163.11206	10.9
165.06996	11.9
165.09142	23.4
167.08543	17.1
167.10738	12.0
168.09293	12.2
169.10098	41.4
170.10941	6.7
171.11716	42.9
173.13205	34.7
175.14825	11.7
178.07776	6.3
179.08551	14.0
180.09315	6.4
181.10083	22.3
181.12212	11.2
182.10945	10.3
183.11690	31.6
185.13232	16.4
187.14903	10.1
189.12921	5.8
193.10121	24.7
194.10902	9.2
195.11702	26.0
195.13597	8.1
196.12469	12.7
197.13255	28.6
199.14798	16.4
203.14290	23.2
205.09911	6.1
206.11012	7.5
207.11676	23.5
207.13678	8.8
208.12419	11.2
209.13225	34.2
211.14807	12.6
217.15863	16.2
219.11658	13.1
220.12462	7.9
221.13222	27.2
221.15358	45.8
222.13979	10.0
223.14720	13.6
225.16231	7.3
225.38922	6.4
232.12379	8.7
233.13292	12.0
234.13945	10.8
235.14796	21.6
237.16273	14.7
245.13277	11.6
247.14832	16.9
249.16391	9.4
251.18008	8.8
259.14755	11.5
260.15720	9.1
261.16272	9.2
273.16406	6.9
275.17874	15.4
283.20572	15.9
287.17728	9.0
289.50449	6.5
329.22562	6.5
331.24219	11.1
349.25223	8.2
351.54462	7.4
565.40320	14.1
583.41406	100.0
590.46991	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	21.2
57.07065	12.0
67.05489	25.2
69.03425	8.1
69.07061	18.2
69.71368	9.5
69.71750	7.9
79.05486	32.6
81.07040	47.6
83.08640	8.4
85.06555	5.8
89.61813	3.6
91.05457	36.4
93.07034	57.9
95.04973	11.4
95.08591	31.8
97.06542	7.0
105.07011	63.6
107.04972	4.6
107.08556	40.3
109.06517	14.4
109.10146	21.8
111.08064	7.7
117.07011	15.9
119.08547	67.4
121.06487	6.0
121.10120	35.7
122.75133	4.3
123.08071	18.0
123.11746	5.7
128.06210	6.0
129.07011	13.3
130.07741	4.7
131.08562	22.7
133.10118	43.7
135.08028	13.5
135.11673	18.8
137.09624	18.7
139.07460	4.4
142.07796	13.4
143.08568	24.4
144.09305	5.1
145.10086	54.1
147.08034	24.4
147.11687	16.0
149.09579	6.6
149.13304	4.9
151.07468	21.2
151.11102	4.2
155.08620	10.1
156.09314	9.4
157.10115	34.8
158.10847	4.9
158.47911	4.1
159.11674	28.8
161.09619	10.3
161.13260	12.2
163.11151	7.6
163.14899	4.4
165.09087	49.5
168.09343	4.8
169.10107	16.7
170.10912	7.6
171.11722	25.2
173.09630	6.4
173.13289	16.9
175.11209	6.7
175.14796	8.9
180.09334	5.2
183.11688	17.0
185.13283	11.5
187.14803	11.9
189.12714	7.6
191.14200	10.7
193.10138	7.3
195.11696	9.8
197.13268	17.2
199.14806	11.9
203.14302	18.1
206.10918	5.3
207.11739	7.4
207.13747	10.4
209.13272	12.7
211.11060	4.4
211.14732	5.2
213.16362	6.0
221.13257	8.7
221.15285	100.0
223.14822	6.6
225.16460	5.9
231.17368	5.2
234.14070	5.5
235.14795	12.3
237.16345	8.1
265.19443	5.5
273.18533	11.9
375.27014	4.6
491.35065	32.0
565.40271	11.0
583.41400	82.4
584.41620	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64906	1.9
55.05499	14.5
57.03433	3.7
57.07065	3.1
65.03917	3.0
67.05496	31.2
69.07053	12.4
69.24646	2.1
71.04996	2.6
71.08994	2.2
77.03925	1.8
79.05485	27.2
81.07047	36.0
81.07498	2.7
83.04971	5.2
83.08619	7.3
85.30511	2.3
88.51842	2.3
91.05476	21.9
93.07034	26.9
93.07578	2.0
95.04948	4.3
95.08587	25.4
97.06538	4.9
97.10185	2.4
105.04507	3.2
105.07021	24.5
107.08581	17.1
109.10136	11.1
110.56444	2.1
111.08100	2.1
117.06990	12.2
119.08558	25.5
121.10133	13.9
123.11680	4.5
128.06203	3.4
129.07050	10.5
131.08546	18.0
133.10103	21.3
133.10823	1.7
134.52951	2.2
135.11674	10.0
141.07011	5.2
143.08534	13.7
145.10081	18.3
147.11694	13.7
149.09653	2.8
149.13304	3.9
155.08611	5.4
155.41583	1.9
156.09369	2.6
157.10086	15.4
159.11632	15.5
161.13297	5.2
163.11215	5.3
167.08586	3.3
169.10194	8.0
171.11678	14.5
173.13290	9.2
175.14830	3.1
181.10143	4.0
181.12253	7.5
182.10913	2.3
183.11758	6.3
185.13200	11.2
187.14764	3.7
189.16458	2.4
195.11674	4.6
197.13312	7.7
199.14830	5.8
201.16367	4.3
203.61446	1.9
209.13301	6.0
211.14799	4.9
213.16362	10.4
215.17931	4.2
221.15392	3.2
223.14859	3.7
225.16447	2.3
229.15894	2.6
231.17513	7.4
241.19640	4.4
251.18040	1.9
259.20703	4.5
281.54935	2.1
307.22879	2.6
333.24481	2.5
335.25909	5.8
376.66412	2.0
491.39120	4.5
509.39828	2.5
565.42371	6.9
583.43433	100.0
584.43628	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	583.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
55.05506	23.8
57.03436	9.2
57.07062	5.6
65.03931	2.4
65.11401	1.4
67.05494	55.1
69.07062	20.1
71.04980	3.0
71.08624	2.3
71.23121	1.7
77.03928	1.5
79.05481	50.7
81.07044	53.5
83.04980	2.6
83.08620	9.7
85.06534	3.6
86.05236	1.3
89.06018	2.4
91.05462	42.6
93.07030	50.0
93.07591	2.9
95.04947	8.8
95.08588	40.0
95.51556	1.4
96.70385	1.3
97.06497	3.7
97.10156	6.3
99.08109	2.2
105.04510	4.3
105.07015	48.2
107.08582	26.8
107.09254	2.3
109.06530	4.1
109.10141	19.9
111.08099	2.6
111.11654	1.5
115.05431	1.6
117.07002	15.8
119.08557	41.7
121.10117	22.1
121.10826	1.5
123.08081	3.5
123.11716	6.6
128.06213	3.7
129.05479	1.8
129.06978	15.3
130.07747	2.5
131.08537	30.1
133.10106	32.6
135.11671	14.7
137.09579	1.6
137.13234	2.1
139.71024	1.4
141.06989	5.0
142.07784	5.0
143.08549	18.9
144.09373	1.9
145.10100	30.5
147.08154	1.9
147.11649	21.3
149.09619	2.0
149.13222	11.5
155.08514	9.7
157.10097	20.5
159.11667	22.5
161.09627	1.5
161.13258	12.7
163.11209	2.0
163.14854	3.0
167.08513	2.9
169.10106	13.7
171.11665	15.6
173.13235	14.6
175.11176	2.3
175.14766	9.1
180.09221	1.7
181.10170	4.4
181.12248	2.9
183.11647	12.1
184.12387	2.1
185.13216	13.5
187.14795	9.4
189.16362	1.7
193.10181	2.5
195.11752	4.5
197.13292	6.5
199.14825	8.5
201.16466	3.8
203.17950	3.4
205.19495	2.1
207.11687	1.5
208.12685	1.5
209.13260	3.1
211.14828	6.7
213.13013	1.6
213.16423	10.7
215.14258	1.7
215.18016	5.1
221.13222	2.3
221.15294	2.2
223.14864	3.8
225.16507	4.1
227.17944	2.7
229.19551	1.7
231.17480	5.6
233.19026	2.1
235.14702	2.3
239.17917	3.2
241.19507	7.9
249.10941	3.2
249.16528	1.8
253.19684	2.1
257.19083	4.0
259.20508	15.1
283.20544	1.6
285.22137	1.8
293.23141	1.5
297.22122	2.2
306.84979	1.7
307.22635	18.0
315.23285	1.5
333.24115	6.9
335.25986	2.1
351.26608	1.9
433.29739	1.8
473.37891	2.5
491.39319	7.7
509.39786	4.3
527.37408	2.0
565.42212	10.7
583.36804	6.2
583.43530	100.0
584.44049	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	583.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37444	1.7
55.05501	19.8
57.03428	7.4
57.07071	3.2
59.33080	1.3
59.65915	1.3
65.03938	1.7
67.05496	44.8
69.07058	16.4
71.04977	3.2
71.08617	1.6
71.09653	1.5
79.05482	40.4
81.07047	41.2
83.04978	3.6
83.08605	9.6
85.06547	1.5
90.67959	1.3
91.05470	38.8
93.07034	44.9
95.04946	8.6
95.08593	37.4
97.06528	3.0
97.10153	2.9
99.08101	2.3
103.05492	2.3
105.04551	1.8
105.07014	35.9
107.08575	19.7
109.06512	3.9
109.10136	16.1
111.08120	2.8
115.05447	2.0
117.07007	17.5
119.08569	31.3
119.09403	2.0
121.10130	22.3
122.90192	1.4
123.08038	1.9
123.10969	1.3
123.11662	7.1
125.09629	2.0
128.06238	2.8
129.06975	9.2
130.07755	1.5
131.08551	25.3
131.09464	2.1
133.08646	1.9
133.10107	28.6
135.08003	1.6
135.11673	15.4
139.11249	2.1
141.07019	3.8
141.93024	1.3
142.07785	3.2
143.08559	10.3
144.09412	1.8
145.10104	23.3
147.11665	20.6
149.13234	7.5
155.08588	4.8
157.10101	16.5
159.11673	19.2
161.09668	1.9
161.13231	13.2
163.11165	4.8
163.14819	2.2
167.08623	1.8
169.10097	10.8
171.11684	15.3
173.13226	14.2
175.11200	2.5
175.14877	6.1
181.10172	3.4
181.12288	3.0
182.10834	1.6
183.11646	7.6
185.13235	9.4
187.14752	9.6
189.16364	2.0
195.11784	3.2
196.12447	1.6
197.13278	4.8
199.14772	9.7
201.16391	4.7
203.14252	1.7
203.17934	2.7
207.11774	3.0
209.13263	3.4
211.14883	5.2
213.16431	8.6
215.18060	4.9
217.15843	2.5
221.15367	3.7
223.14799	3.8
225.16545	2.9
227.18037	2.7
231.17517	5.1
231.20978	1.6
233.19080	2.6
235.14960	1.9
237.16335	1.8
239.18057	2.9
241.19553	10.9
249.11081	5.4
251.17928	3.0
255.17299	1.7
257.19104	4.6
259.20529	17.9
297.22360	2.3
305.21298	2.5
307.22650	25.4
309.24393	2.0
325.25427	2.3
333.24307	10.5
335.26065	4.1
357.24792	1.3
370.81906	1.5
374.08572	1.5
394.97598	1.4
459.31186	1.5
475.34668	1.6
491.39261	9.6
509.40079	3.1
513.36041	1.9
516.91357	1.8
547.41089	1.5
565.42371	8.3
583.35791	15.1
583.43616	100.0
584.43872	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	583.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05503	20.2
55.22770	1.5
57.03430	4.8
57.07064	2.4
65.03934	2.5
67.05494	43.6
68.05827	1.9
69.07052	13.5
71.04978	4.0
79.05482	31.8
81.07043	35.7
83.05000	3.0
83.08607	8.0
85.06517	3.8
91.05472	30.0
91.06033	2.2
93.07033	37.9
95.04951	6.9
95.08594	31.9
97.06490	4.4
103.05478	2.4
105.07013	32.5
105.07710	2.1
107.08584	23.5
109.06580	2.0
109.10131	14.7
117.07019	12.9
119.08575	26.1
121.10124	15.1
123.11688	3.1
128.06110	1.8
129.06953	15.3
131.08542	23.3
133.10123	29.7
135.11662	12.8
137.09583	3.2
141.06963	3.2
142.07674	2.5
143.08543	14.8
145.10095	29.2
147.07932	1.9
147.11662	23.0
149.13220	4.5
149.63156	1.7
155.08502	6.3
156.09381	2.3
156.26111	2.1
157.10098	17.0
159.11670	18.0
161.13246	7.0
163.11270	1.9
163.14777	2.3
165.09000	1.8
169.10068	12.5
171.11655	13.6
173.13232	16.4
175.14812	3.5
181.10101	5.1
183.11684	8.2
185.13258	12.8
187.14850	6.5
189.16371	5.1
195.11678	5.3
197.13281	7.0
199.14833	6.8
201.16431	2.7
203.18031	3.2
209.13260	5.1
211.14838	4.7
213.16327	15.1
215.17931	4.9
217.15884	2.4
221.13220	2.4
223.14876	3.4
225.16394	2.9
227.17938	2.2
229.19571	3.4
231.17400	13.7
232.33592	1.9
235.14854	2.4
237.16391	2.4
239.17900	3.0
241.19487	3.9
257.19000	3.6
259.20517	2.0
283.20724	1.9
298.26254	1.8
305.21051	3.6
307.22766	3.6
325.24936	2.1
335.25760	5.9
491.39102	9.1
509.39761	2.1
513.36218	2.8
565.42456	8.7
583.43427	100.0
584.43988	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	584.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55604	0.4
52.66675	0.4
55.01861	0.9
56.05019	1.1
56.13218	0.4
56.29725	0.4
56.37445	0.6
57.03429	0.5
58.06589	5.2
60.47542	0.5
67.05473	0.6
69.03419	1.2
71.04988	0.8
75.04459	1.7
79.05458	1.1
81.07038	0.9
85.02903	0.9
86.29337	0.4
88.07558	0.4
91.05463	1.2
95.04963	0.9
95.08628	0.6
97.02834	0.4
98.22657	1.4
105.07027	1.0
108.08099	1.1
109.06513	1.6
111.04534	0.5
111.08072	1.0
112.07574	0.5
115.05472	0.7
117.07000	0.5
119.04921	0.5
121.06516	1.1
122.09621	0.8
127.56905	0.4
128.06201	0.8
129.06973	2.6
131.08534	2.1
133.02899	0.5
134.09555	0.6
135.04382	0.7
135.08018	0.9
137.05930	2.4
140.44292	0.4
141.06993	1.6
141.09048	0.5
143.08562	0.7
152.10652	2.8
153.05635	0.4
153.06999	1.3
154.07773	0.7
155.08560	1.2
157.06511	0.5
158.09724	0.7
159.08041	1.3
160.11130	0.7
161.06036	0.8
161.07361	0.4
161.09653	1.0
163.03905	0.7
165.07034	0.5
166.07768	0.6
167.08591	1.8
171.08099	0.7
172.11182	1.1
177.05486	0.9
178.07773	0.6
178.12299	0.6
179.07095	0.7
179.08559	1.4
181.06496	0.5
181.10123	1.0
184.11203	1.2
186.12793	1.2
190.07640	0.4
190.12242	0.6
191.08502	1.0
192.09349	0.5
193.10138	0.9
195.08002	1.0
195.11731	0.4
196.11240	0.7
197.09581	0.7
198.12737	4.2
199.13280	1.2
203.08647	0.7
204.09334	0.6
205.10123	1.7
207.08160	0.7
209.09605	0.8
211.13531	0.9
215.08698	0.8
217.10208	0.8
218.07184	0.6
218.15402	3.1
219.08070	0.9
221.09584	0.8
223.11111	0.6
225.09004	0.5
233.09598	1.3
237.09108	0.7
249.09114	0.6
258.15002	0.6
261.08954	0.5
265.12183	0.6
265.80121	0.4
293.11685	0.4
306.14822	0.8
336.15833	0.9
350.17828	0.5
354.20709	0.5
368.18558	1.6
372.21738	4.4
374.19611	0.6
396.34818	0.4
400.21140	1.8
404.24213	1.2
432.23724	8.3
460.23392	0.6
464.26343	7.2
492.25912	3.8
521.50330	0.4
524.28461	20.8
525.28821	1.2
584.30548	100.0
585.31085	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	584.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06335	0.7
58.06591	7.5
67.05502	0.8
69.08682	4.5
69.09001	1.0
71.04987	1.4
72.08157	2.9
79.05473	2.1
91.05475	4.3
93.07010	1.0
94.06578	0.6
95.04958	1.5
98.09687	0.9
102.09213	0.8
103.05491	0.8
105.03391	3.9
105.07031	3.0
108.08104	3.4
112.07629	0.6
115.05465	1.2
117.07006	2.1
119.04954	0.9
119.08556	1.3
121.06499	2.0
122.09668	2.8
124.11225	1.0
128.06219	1.2
129.06999	3.0
131.04947	0.6
131.08582	2.4
133.06511	0.5
133.10097	0.7
134.09608	0.8
135.08046	1.4
141.06940	2.8
143.08586	1.8
145.06483	0.7
147.08038	1.2
148.11122	0.8
153.06929	0.9
154.12283	2.4
155.08577	2.2
157.10146	1.2
159.08044	1.0
160.11215	0.9
165.07024	1.3
166.07841	1.5
167.08504	3.2
169.10124	1.3
171.07965	0.8
172.11279	0.9
176.10593	0.6
179.08607	2.4
180.09268	0.8
181.10167	1.5
185.09595	0.9
191.08585	1.7
192.09337	1.2
193.10130	1.5
195.07983	0.7
195.11737	1.5
202.07857	0.7
203.08565	1.6
204.09399	0.9
205.10248	1.6
207.08072	0.7
207.11740	0.8
212.14557	0.7
215.08524	0.7
215.49725	0.6
216.09245	0.7
218.10994	0.8
219.11798	1.3
221.13321	1.6
231.11784	0.7
233.13271	1.4
235.11226	1.0
249.12750	1.6
273.50833	0.8
281.15338	0.7
306.18567	1.0
310.17435	0.6
324.19513	1.1
326.17599	0.7
338.21103	1.4
353.17911	0.7
370.19806	3.2
398.23193	4.5
402.22562	1.1
412.24426	3.0
430.25848	28.9
444.27560	1.7
462.28461	26.0
463.28622	1.0
584.32098	100.0
585.32428	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	584.321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	1.5
58.06588	3.9
62.31159	0.6
67.05514	1.0
71.04988	1.3
72.08140	2.2
75.04472	2.1
78.25855	0.5
79.05477	1.2
83.62938	0.5
85.06541	0.7
91.05466	3.0
95.04974	2.2
97.06535	0.8
98.09670	0.9
98.19424	0.6
102.09180	2.8
105.03374	7.7
105.07045	1.9
108.08115	2.7
109.06517	0.8
113.58614	0.6
115.05479	1.5
117.07010	1.2
119.08623	0.6
121.06465	1.4
122.09644	1.0
128.06242	0.9
128.10686	0.7
129.07004	1.6
130.10240	0.5
131.08551	1.0
134.09619	0.7
135.08055	1.4
141.07063	1.1
143.08473	0.9
147.07965	0.6
148.11412	0.6
152.10675	1.3
153.06981	0.7
154.12245	1.0
155.08549	1.5
158.09622	1.1
160.11197	0.9
161.09579	0.9
165.06947	1.1
167.08554	1.4
169.10170	1.1
171.08022	0.8
172.11220	1.3
173.09683	0.9
178.07817	1.1
178.12328	1.8
179.08615	1.4
179.10310	0.6
185.09596	0.7
186.12793	0.6
188.10715	0.7
191.08502	1.1
192.09277	0.7
193.08450	0.6
193.10179	1.2
196.11430	0.6
197.09700	0.6
199.11386	0.5
200.57449	0.6
203.08592	1.7
204.09348	0.6
205.10092	1.5
206.10793	0.5
207.11647	1.4
210.12872	0.9
215.08585	0.7
217.10184	1.0
219.11540	0.7
221.13304	1.0
229.10011	0.7
231.11426	0.8
233.13315	1.4
237.12862	0.8
245.13408	0.6
249.12759	0.6
251.14265	1.0
263.14362	1.3
276.17389	0.9
288.17545	0.9
320.20090	0.9
324.19604	0.8
338.21188	0.7
352.22849	1.1
354.20700	0.7
356.22021	0.8
380.22253	1.5
384.21420	1.1
412.24658	8.1
416.24155	5.3
430.25803	3.6
444.27390	36.5
445.27713	1.7
462.28482	25.7
463.28513	0.9
472.06546	0.6
554.05042	0.6
566.31342	1.3
584.32074	100.0
585.32410	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45063	0.4
54.50826	0.4
56.05041	2.4
58.06588	4.5
67.05505	1.3
69.07075	0.6
71.04996	1.8
71.45312	0.5
72.08157	1.1
75.04502	0.5
79.05495	2.4
81.03408	0.9
81.07065	1.1
83.05024	0.4
85.02906	1.2
85.06563	0.7
88.07605	3.3
91.05482	3.9
93.07056	1.4
94.06554	0.7
95.04929	2.5
95.08607	0.7
96.08133	0.7
97.06527	0.8
105.03371	6.5
105.03933	0.5
105.07018	2.7
107.04906	0.5
108.08113	4.9
109.06529	0.7
109.10148	0.9
110.09734	0.6
115.05471	1.5
117.03400	0.6
117.07008	2.8
119.04980	0.6
119.08598	1.1
121.06502	1.2
121.08961	0.6
121.10158	0.7
122.09664	2.6
123.07968	0.4
127.11144	0.7
128.06219	1.4
129.06981	3.0
130.08633	1.0
131.04935	0.4
131.08603	1.7
133.06587	0.5
134.09641	0.5
134.55804	0.4
135.08047	0.8
136.11209	0.4
138.09157	1.7
141.07028	1.7
143.08554	2.4
145.02850	1.3
145.06502	0.7
145.10133	0.5
147.08086	1.1
148.11230	0.6
153.06985	1.2
154.07794	0.5
155.08574	2.1
157.10136	1.3
158.09644	0.8
159.08069	0.8
160.11201	1.0
165.06996	1.4
166.07802	0.9
167.07256	0.7
167.08502	2.5
169.10155	1.1
171.08159	0.6
172.11249	1.2
174.12814	0.9
175.11127	0.5
177.05423	2.2
178.07726	1.1
179.08545	2.1
181.10176	1.9
182.11769	0.8
183.08035	0.5
185.09618	0.7
186.12772	0.8
188.14337	0.5
190.12323	0.5
191.08604	0.8
192.09232	1.2
193.10025	0.8
195.11758	0.7
196.11195	0.8
203.08574	1.1
204.09386	0.8
205.10216	1.8
206.11169	0.5
207.11807	1.5
212.14568	0.6
212.16576	1.0
215.08684	0.4
217.10144	0.8
218.11011	0.9
219.11690	0.9
221.09766	0.7
221.13341	0.6
223.11285	0.6
224.14441	0.8
228.23280	0.5
233.13264	0.5
235.11078	0.5
246.24283	0.6
248.14452	0.6
249.12730	0.8
254.17621	1.1
261.12689	0.6
266.15424	0.5
278.15747	0.6
278.19012	0.5
280.16913	0.6
306.18570	1.7
310.18118	1.4
318.08499	0.6
324.19659	0.8
338.17383	0.6
338.21008	3.2
340.22876	0.5
342.20792	1.4
366.20673	1.6
370.19803	0.8
370.23914	2.3
374.22015	0.8
398.23233	12.3
402.22617	8.9
430.25861	41.9
431.26398	1.8
462.28436	41.8
463.28653	2.2
552.26459	1.7
584.32178	100.0
585.32660	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	584.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06696	1.2
55.01853	1.2
55.05499	8.3
57.03423	2.5
57.07070	37.5
61.96554	1.2
63.45521	1.0
64.51443	1.1
67.05495	11.5
68.05830	2.0
69.07063	8.4
69.29265	2.1
69.29659	3.1
70.06584	1.3
71.04964	1.0
71.08624	30.5
73.06548	8.0
79.05478	14.6
80.05814	1.5
81.07047	11.5
82.07365	1.8
83.08601	6.0
85.10174	19.2
87.04477	5.1
89.06021	100.0
90.06374	1.0
91.05448	8.8
91.07571	1.5
92.05801	2.0
93.07031	11.3
94.07364	3.0
95.04949	3.2
95.08582	10.3
97.06477	1.4
97.10152	4.1
99.11712	3.5
105.07022	9.3
106.07332	1.6
107.07049	1.8
107.08583	6.2
108.08979	1.1
109.10133	3.8
111.11700	2.6
113.13286	1.5
117.07011	3.2
117.09119	3.1
118.07377	1.5
119.08562	9.1
120.08888	1.8
121.10125	6.1
122.10444	1.3
123.11662	1.1
127.14829	1.3
129.06935	1.1
130.08627	1.4
131.08556	6.4
132.08847	2.6
133.08594	39.2
133.10132	4.5
134.10466	1.6
135.11661	4.0
136.11969	1.3
141.16290	1.6
143.08545	3.8
145.10112	5.9
146.10475	1.6
147.11647	3.6
157.10117	4.3
158.10458	1.7
159.11687	3.9
160.12010	2.0
169.10141	2.1
171.11629	3.8
172.12027	1.5
173.13290	1.6
177.11191	14.2
183.11726	1.7
186.13495	1.1
187.14844	1.4
197.13255	1.7
198.13477	1.1
213.16188	1.1
216.94688	1.1
221.13620	2.2
239.14998	1.2
241.25385	1.3
259.20593	2.5
260.20804	2.0
277.08005	1.0
283.17523	1.3
285.27829	3.7
292.04388	1.0
317.47958	1.0
326.83188	1.0
329.30313	1.6
365.37415	1.1
371.22690	3.0
523.42279	1.4
566.41681	1.5
567.44263	3.8
584.43768	12.1
584.53479	1.8
585.36719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.3
57.22073	1.7
59.48598	1.6
67.05497	18.7
69.03421	1.8
69.07057	8.2
69.10638	11.9
69.59679	1.6
78.91892	1.8
79.05482	14.5
79.06509	1.9
81.03397	3.8
81.07047	21.7
83.04977	3.2
83.08618	14.8
84.03271	1.8
85.06548	1.8
89.06038	2.5
91.05476	19.1
93.07028	14.5
95.04971	17.0
95.08607	16.0
97.06521	5.3
97.10149	4.2
105.07016	18.4
107.04951	6.7
107.08594	11.6
109.06503	6.9
109.10148	7.7
111.08031	2.7
117.07002	8.6
119.08551	13.1
121.06448	3.0
121.10098	11.5
123.08070	3.4
123.11730	2.4
125.09629	4.0
129.06984	2.6
131.08604	9.2
133.10110	11.9
135.08025	3.9
135.11691	4.0
137.09612	3.0
145.10144	10.8
147.11684	8.7
149.09612	14.5
151.11176	4.9
155.08557	2.9
157.10123	2.7
158.34059	1.9
159.11694	7.1
161.13126	2.2
163.11168	16.0
165.12755	3.8
171.11649	2.9
173.09496	2.7
173.13266	3.4
175.11125	2.4
177.12573	2.6
181.62752	1.8
183.11598	2.4
189.11292	4.7
191.14311	2.3
197.13124	2.7
199.54620	1.8
223.13193	11.9
229.19530	2.7
239.17863	5.3
247.20483	3.5
257.18918	15.3
275.20026	100.0
276.20145	3.7
293.17935	3.8
293.21082	58.3
585.43402	5.6
585.55945	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	586.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.7
58.06578	3.0
61.02925	2.1
69.03421	4.2
70.10741	4.7
71.04951	1.4
79.05478	9.6
81.07043	2.0
85.02876	5.3
91.05452	6.7
94.04164	2.5
95.04946	5.1
97.02864	2.7
97.36317	1.5
97.54172	1.3
97.69641	1.3
103.05438	5.4
105.07025	2.2
107.04941	22.4
109.06503	2.6
109.17396	1.5
114.09113	1.7
115.05431	5.5
117.06999	3.2
122.03632	5.2
123.04420	2.6
124.05206	4.6
125.05966	2.9
127.03974	1.7
128.06190	4.1
129.06967	17.2
131.04887	9.0
131.08537	6.4
133.06442	3.2
137.05954	100.0
139.81956	1.6
141.06889	2.6
143.04871	4.4
144.05663	6.6
145.06435	5.4
147.04449	1.4
149.05984	2.3
151.03909	1.8
152.04642	2.1
153.05272	1.3
155.06999	2.9
156.05695	9.1
157.06425	17.4
158.07336	1.8
159.07994	11.2
160.05188	5.5
161.05940	3.9
163.07558	3.1
167.07013	87.7
172.05116	4.7
173.06024	7.6
174.06715	6.5
175.07521	30.7
175.09085	1.9
177.05501	2.0
183.06467	2.8
185.05916	7.9
187.07515	40.7
189.09048	17.5
190.06169	5.9
191.07082	2.3
193.08525	2.0
199.07545	3.2
202.06262	3.1
203.08514	2.0
205.08582	12.5
208.94073	1.7
215.06993	2.2
217.08565	70.6
218.07182	2.3
219.10193	8.6
231.08044	3.5
233.09587	4.6
234.06757	3.9
235.07373	2.4
235.09547	3.4
241.08536	2.8
246.06703	2.2
247.07388	2.3
247.09700	11.8
249.09061	6.7
251.07111	1.5
252.07874	2.5
260.08380	2.1
261.09006	10.8
262.05908	2.2
263.10593	2.0
266.09317	4.4
273.27502	1.5
277.08765	7.8
278.09363	4.9
281.11624	3.1
285.07550	6.7
289.08481	1.7
293.11630	5.9
294.08881	2.3
295.09570	2.4
300.09821	8.5
301.10858	3.5
306.08633	3.5
307.09558	2.8
309.11166	8.1
321.11154	16.0
323.09003	2.1
326.11389	5.3
338.11429	2.4
341.13809	31.7
353.13748	44.7
359.14691	2.3
371.14841	56.1
372.15326	2.3
389.16034	3.5
406.25903	2.1
424.26733	3.3
465.12119	1.7
499.79669	1.8
513.55237	1.8
568.31079	4.8
586.32520	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	586.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81164	0.3
51.98517	0.3
58.06588	0.7
63.24534	0.4
68.59999	0.3
69.03415	0.5
69.56816	1.4
70.06579	0.4
71.04993	0.7
74.06048	0.5
75.04485	1.7
79.05478	1.3
81.07038	0.5
82.06581	0.5
84.08131	0.3
85.02910	0.5
87.04459	0.5
88.07619	0.5
91.05461	1.4
94.06542	1.8
95.04952	0.7
96.08109	0.5
98.23470	0.7
103.05469	0.7
105.07011	3.5
107.04932	0.4
107.07327	0.8
108.08100	4.1
109.06499	1.0
111.04363	0.4
111.08072	0.8
115.05474	0.6
116.37625	0.3
116.44995	0.3
117.07028	0.9
119.04885	0.8
120.08082	0.7
121.06479	0.7
123.04404	0.8
124.07567	0.7
128.06197	0.9
129.06990	2.5
131.04939	0.5
131.07274	0.9
132.08080	0.6
133.08873	0.3
135.04373	0.4
135.08006	0.9
137.05948	1.8
138.09114	2.1
140.10716	0.5
140.72095	0.3
141.06981	1.4
143.08521	0.5
144.08051	1.4
145.06473	1.0
145.08876	1.0
145.10052	0.3
146.09637	2.2
147.04372	0.8
147.07973	0.4
148.07449	0.4
149.05957	0.5
152.06143	0.4
153.05490	0.7
153.06966	0.9
155.08578	1.0
157.06529	0.7
158.09625	0.7
159.08022	1.6
160.07542	0.6
161.05997	0.5
161.09679	0.4
162.09172	0.5
163.03958	1.5
165.07036	1.1
167.07204	0.4
167.08568	1.5
169.06474	0.7
169.10110	0.5
170.09657	1.2
171.08072	0.7
171.10406	0.5
172.07498	0.3
173.05916	0.4
173.09657	0.4
174.09134	0.7
175.07483	0.4
176.07100	0.4
176.10724	0.7
177.05435	0.4
177.06917	0.4
177.09059	0.3
178.07616	2.0
178.12276	0.5
179.08546	2.5
181.06395	0.6
181.10201	0.8
182.09702	0.5
183.08076	0.9
184.11258	0.4
186.09143	0.5
187.07437	0.4
188.10701	0.6
190.07784	1.3
191.08565	1.3
193.10158	1.4
195.08087	1.5
196.11145	0.4
197.09584	0.6
200.10674	2.3
202.07750	0.7
202.12227	0.4
203.08580	1.9
205.06773	0.5
205.10159	2.2
206.07518	0.4
207.07979	2.8
209.06096	0.3
209.09583	1.3
212.10663	0.6
213.09036	0.4
214.12115	0.4
218.07324	0.3
219.08015	0.8
220.08803	0.6
220.11295	0.4
221.09555	2.4
223.07564	0.7
231.08098	1.1
232.08986	0.5
233.09676	0.8
235.07573	1.4
235.11211	0.7
236.08264	0.4
237.08955	0.4
238.09892	0.6
239.10626	0.7
247.07591	0.6
248.08424	0.3
249.09071	1.8
250.12360	0.4
251.10721	0.7
252.07765	0.3
253.08556	1.3
253.12306	0.6
255.10062	0.4
259.07678	0.4
261.09070	0.5
263.10611	0.9
265.08588	0.5
266.11826	0.4
267.10175	1.4
268.13507	0.4
277.08667	1.3
278.12012	0.4
284.12656	0.4
292.13367	0.5
295.09409	0.6
296.12845	0.6
309.11057	0.6
310.14362	0.8
314.13968	0.5
326.13824	0.5
327.97858	0.3
332.14969	0.4
338.13913	0.7
341.13757	0.4
342.16983	0.9
342.83218	0.3
344.15115	0.7
346.16211	0.4
352.15717	0.4
370.16464	1.0
374.19427	2.4
376.17477	1.2
384.18002	0.4
402.18976	2.0
406.22244	2.2
408.20294	1.0
416.20428	0.4
430.18814	0.5
434.21652	6.7
462.21075	0.7
466.24164	4.5
494.23846	4.2
526.26355	15.1
527.26678	0.7
586.28461	100.0
587.28760	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	586.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94271	0.3
55.01866	0.5
56.05027	1.2
57.03454	0.3
58.06593	11.9
59.04996	0.4
67.05497	0.5
69.03432	0.6
69.10764	2.0
70.06583	0.4
70.45966	0.3
71.01364	0.3
71.04993	0.6
72.08157	0.5
75.04485	0.9
79.05485	0.8
81.03422	0.4
82.06577	0.5
84.08105	0.5
85.02908	0.5
87.04478	0.6
88.07620	0.5
88.41785	0.3
91.05466	1.5
93.03397	0.5
94.06547	0.4
95.04986	0.6
96.08129	0.3
97.02866	0.7
98.09689	0.3
98.23410	0.8
101.80942	0.3
102.09135	0.4
103.05462	0.5
105.07036	2.0
107.04947	0.4
107.58182	0.3
108.08118	1.9
109.06490	0.3
110.09679	0.6
111.04474	0.5
115.05469	0.7
115.69444	0.3
117.07027	1.1
119.04890	0.5
119.08533	0.4
121.06491	0.7
122.09684	1.8
123.04411	0.6
123.56432	0.3
124.07560	0.4
128.06216	0.8
129.07005	2.0
131.04971	0.4
131.08565	0.7
133.02853	0.3
133.06477	0.5
135.04376	0.4
136.07590	0.4
137.05986	1.2
137.08406	0.3
138.09097	0.5
139.03911	0.5
141.06973	1.5
143.08557	0.9
145.06456	1.9
146.09651	0.6
147.04439	0.6
147.08063	0.7
148.11240	0.3
149.05974	1.0
152.10703	1.3
153.06998	0.8
154.12273	0.4
154.96788	0.3
155.08551	0.9
157.06462	0.7
158.07245	0.4
158.09691	1.1
159.08034	0.8
160.11212	1.3
161.05956	0.4
163.03897	0.6
165.05704	0.4
165.07014	1.2
167.08614	1.0
167.67841	0.3
169.06471	0.3
171.04512	0.4
171.08105	0.7
172.11243	0.8
173.05978	0.3
174.09135	0.5
175.07600	0.4
176.10710	0.5
177.05458	0.6
178.07774	1.5
179.08530	2.6
181.06494	0.6
181.10150	0.8
182.07347	0.3
183.08061	0.7
184.07384	0.5
184.11258	1.2
185.05997	0.6
185.09747	0.4
186.12793	0.4
188.10710	0.4
190.12326	0.4
191.08580	1.0
193.06516	0.4
193.10106	1.5
194.11900	0.4
195.08072	1.0
196.08792	0.4
197.09619	0.8
198.12758	0.5
200.10776	0.5
202.12331	0.7
203.08537	1.6
205.10149	1.4
206.07248	0.4
207.08008	2.2
209.07991	0.8
209.09662	1.0
211.07629	0.5
211.11182	0.4
214.12311	1.2
215.08675	0.4
218.07323	0.3
219.08125	0.8
221.09599	1.9
222.10437	0.4
223.07549	0.8
223.11130	0.5
225.09079	1.1
226.12218	0.4
227.10635	0.4
231.08058	0.4
233.09653	0.5
235.07532	1.0
237.09103	0.7
238.09991	0.4
239.10684	0.9
247.07510	0.5
249.09192	1.2
251.10736	0.8
252.13876	0.5
253.08562	1.0
263.10614	0.6
264.13876	0.6
265.08652	0.5
267.10184	0.8
277.08606	0.5
279.10092	0.5
282.15021	0.5
286.14615	0.4
294.14694	0.4
295.09634	0.7
296.16360	0.4
299.12833	0.5
310.14545	0.5
324.16046	0.4
327.12189	0.5
330.17163	0.4
342.17020	0.5
352.15271	0.6
356.18655	1.5
374.19678	0.5
384.17950	1.4
388.21158	3.4
389.08511	0.4
390.18948	0.4
398.19559	0.8
402.19092	0.4
406.22223	2.3
416.20673	3.0
422.21735	0.5
423.05923	0.3
434.21765	1.1
448.23236	7.9
466.24359	6.5
476.22583	0.6
503.00797	0.3
508.25449	4.6
526.26416	15.0
527.27124	0.5
568.27399	0.4
586.28479	100.0
587.28906	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	586.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03935	0.4
55.51077	0.3
55.65149	0.2
56.05019	1.2
58.06590	4.6
59.04996	0.4
61.02922	0.3
65.03929	0.4
66.69785	0.2
67.05499	0.9
69.03415	0.4
69.07040	0.3
70.06564	0.5
71.01339	0.2
71.04979	1.0
71.45498	0.2
72.08137	0.9
75.04463	0.5
77.03916	0.6
79.05473	1.9
80.04993	0.3
81.03413	0.8
81.07053	0.5
82.06551	0.3
83.04987	0.5
84.08122	1.5
85.02882	1.1
85.06547	0.5
88.07622	0.4
91.05459	3.4
93.07043	0.9
94.06570	0.6
95.04951	2.9
95.08616	0.2
96.08131	0.6
97.01093	0.6
97.02857	0.5
97.06536	0.6
98.23490	0.6
101.06017	0.6
102.09135	0.5
103.05448	0.7
105.03376	11.4
105.04536	0.8
105.07020	1.9
107.04942	2.2
107.40020	0.2
108.08110	2.3
109.06493	0.6
110.06019	0.2
110.09685	0.7
111.04472	0.3
111.08060	1.0
111.17643	0.3
112.07600	0.8
115.05466	0.7
117.06956	1.6
119.04923	0.9
119.08549	0.6
121.02850	1.0
121.06470	1.6
121.08852	0.9
122.09649	2.0
123.07990	0.3
125.00574	0.6
125.06035	0.3
126.09094	0.3
128.06186	1.4
129.06972	2.9
131.04900	0.5
131.08542	1.3
133.06447	0.5
133.10204	0.3
134.09641	0.6
135.08051	0.6
136.07581	0.3
136.11249	0.3
137.05951	0.6
138.09128	0.8
138.21465	0.3
140.10713	0.7
141.06969	2.0
142.07790	0.4
143.08517	1.8
144.05695	0.2
145.06483	1.1
145.08890	0.3
145.10120	0.6
146.09557	0.6
147.08063	0.9
147.10419	0.4
148.11197	0.9
150.09166	0.4
151.07542	0.4
152.10719	0.4
153.00012	0.5
153.06989	0.9
155.08482	2.0
157.06462	1.3
157.10176	0.6
158.09673	1.1
159.08078	0.8
159.10426	0.5
160.08752	0.3
160.11223	0.9
161.09644	0.6
163.07544	0.4
164.10689	0.5
165.06989	1.7
166.05016	1.2
166.07721	0.7
167.07257	0.5
167.08510	2.0
168.10274	0.4
169.06511	0.6
169.10146	0.7
171.01083	0.6
171.08069	0.8
172.11191	1.3
173.09648	0.5
174.12778	0.3
176.10764	0.6
177.09135	0.3
178.07765	1.3
178.12216	0.3
179.08482	1.9
180.09073	0.4
180.10359	0.4
180.99519	10.0
181.10135	1.2
183.08070	0.7
183.11668	0.3
184.11224	1.3
185.09641	0.4
185.12051	0.4
186.12787	1.1
187.07402	0.3
190.07747	0.5
190.12262	0.4
191.08511	1.5
192.09369	1.0
193.08580	0.4
193.10132	1.5
195.08046	0.6
195.11801	0.5
196.11177	0.6
197.09633	0.9
197.11981	0.3
198.07654	0.3
198.12811	0.5
202.07755	0.5
202.12265	0.3
203.06857	0.3
203.08493	1.6
204.09363	1.1
204.13829	0.3
205.10095	1.5
206.10864	0.2
207.08044	0.5
207.11742	1.0
208.99010	4.0
209.09592	0.4
210.12794	0.4
211.11185	0.3
212.14345	0.3
214.12218	0.4
215.08614	0.6
216.09315	0.8
217.10138	0.6
219.11655	1.7
221.09558	0.9
221.13358	0.5
222.12769	0.4
223.11237	0.6
224.14203	0.4
226.12271	0.4
227.00031	4.6
227.02086	0.4
228.13828	0.6
229.10132	0.4
231.11754	0.7
233.09720	0.6
235.11076	0.7
235.13339	0.3
236.14346	0.3
237.12730	0.7
238.16095	0.3
239.10797	0.4
242.11813	0.4
245.01097	1.3
246.10474	0.4
247.11098	0.7
249.12784	0.9
260.14389	0.4
265.12216	0.6
266.15326	0.5
267.13855	0.3
276.17676	0.3
278.15387	0.5
279.13800	0.3
296.16525	0.4
298.17776	0.4
300.19653	0.4
304.16754	0.6
310.17850	0.5
312.15970	0.3
314.17548	0.3
322.18060	0.8
328.19092	1.6
332.02161	0.5
336.19547	0.9
340.19098	0.6
342.20554	0.6
346.03745	0.6
354.20645	1.0
358.20108	0.3
360.21951	0.5
364.19000	0.4
366.20587	0.3
368.04166	0.3
368.22327	0.5
370.20276	0.7
372.21695	0.6
374.03134	0.4
382.20175	0.4
386.23059	1.5
388.21109	2.7
389.05173	1.2
392.04187	3.3
396.21793	0.7
400.21289	0.7
402.22586	2.0
404.24377	0.9
414.22699	2.4
424.07166	0.5
428.24246	3.4
432.23785	3.6
446.25327	7.6
464.26382	18.7
465.26688	0.6
476.24338	0.4
503.55920	0.3
518.25568	0.4
520.01392	0.3
536.26410	0.9
550.27881	0.9
554.27472	2.6
568.29089	2.1
586.29993	100.0
587.30334	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	586.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
56.05038	1.0
56.73198	0.4
58.06593	3.7
69.03439	0.4
69.72424	1.2
71.04990	0.7
72.08142	1.2
75.04478	1.2
77.03920	0.5
77.74250	0.4
79.05489	1.9
80.05062	0.4
81.03448	0.5
81.07049	1.2
84.08128	0.7
91.05465	2.6
94.06574	0.7
95.04961	2.4
96.08092	0.8
97.06519	0.6
101.06015	0.8
103.05454	0.5
105.03378	6.9
105.04485	0.6
105.07024	1.7
105.49177	0.4
107.04953	2.3
108.08121	2.2
109.06496	1.2
110.06057	0.5
110.09694	0.4
111.08060	2.7
115.05435	1.5
117.07001	2.1
119.04918	0.5
119.08567	0.5
121.06493	0.9
122.09671	1.0
128.06212	1.1
129.07001	1.8
131.08566	1.3
133.06432	0.5
135.08064	1.7
137.06020	0.7
138.09158	1.5
141.06987	1.8
141.09117	0.6
143.08548	1.6
145.06512	0.6
147.08018	1.3
151.07553	0.4
153.06955	0.7
153.09091	0.5
155.08572	1.4
157.06575	0.4
158.09612	0.7
159.07959	0.8
160.11255	0.6
161.09685	0.4
164.10727	0.8
165.07018	1.7
167.08614	1.3
171.08087	0.8
172.11229	0.7
173.09528	0.6
174.12923	0.5
177.09023	0.5
178.07838	0.9
179.08481	1.0
181.06532	0.6
181.10098	0.9
184.11313	0.5
185.09624	1.1
190.07762	0.6
191.08607	1.0
192.09357	0.9
193.10165	0.9
195.08069	0.5
197.09599	0.7
201.09081	0.5
202.07780	1.4
203.08464	1.1
204.09384	1.3
205.10141	1.6
209.09616	0.5
210.12833	0.6
215.08565	0.8
216.09483	0.7
217.10120	1.3
219.11726	1.7
221.09564	0.6
221.13315	0.7
222.12785	0.5
223.11292	0.9
229.10124	0.8
231.11699	0.6
235.11208	0.8
237.12794	1.2
239.10597	0.6
242.15385	0.4
247.11182	0.8
249.12701	0.8
265.12415	0.4
270.14804	0.4
274.15823	0.5
279.13702	0.7
280.94116	0.4
283.13406	0.5
288.84793	0.4
292.16779	0.4
298.17725	0.4
304.16943	0.5
322.18051	0.6
336.19620	1.0
342.20392	0.5
354.20822	0.9
370.20135	1.4
372.21545	0.7
396.21564	1.2
402.22620	2.7
414.22568	2.7
428.24280	4.6
429.24216	0.4
432.23917	0.9
446.25323	11.4
447.25632	0.6
464.26364	21.8
465.26855	0.7
494.25259	0.7
526.27448	0.5
554.27551	1.1
568.28613	1.3
586.29999	100.0
587.30353	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	586.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98216	0.3
53.03933	0.6
54.65412	0.3
56.05021	1.6
58.06337	0.4
58.06596	6.0
62.38288	0.3
63.87795	0.3
64.52847	0.3
65.03936	0.6
67.05492	0.9
69.09126	1.1
69.09542	0.9
70.06587	0.4
71.04984	0.8
72.08141	1.4
77.03922	1.0
79.05489	2.9
80.04997	1.3
81.03397	0.4
81.07051	0.3
83.04980	0.3
84.08118	1.7
84.23730	0.3
85.02895	1.1
86.09692	0.6
91.05461	3.6
93.03377	0.6
93.07034	0.9
94.06540	0.6
94.12814	0.4
95.04958	3.1
96.08112	0.6
98.06023	0.4
98.09666	0.5
103.05473	0.4
105.03379	17.9
105.04511	0.9
105.07010	2.4
107.04942	12.3
107.05672	0.6
108.08101	7.2
109.06518	0.7
110.09668	0.4
111.04442	0.5
114.09139	0.7
115.05462	1.0
117.07009	2.1
119.04931	0.6
119.08529	0.6
121.02850	1.0
121.06457	0.7
121.08884	0.8
122.09645	4.1
123.04408	0.5
124.11227	1.0
125.05988	1.0
128.06190	2.7
128.87827	0.4
129.06984	3.5
130.07770	0.4
131.04889	0.4
131.08539	2.8
133.06467	0.7
133.10139	0.7
135.04428	0.8
135.08060	0.4
137.05942	0.4
138.71767	0.3
140.10695	0.4
141.06969	1.6
142.07755	0.3
143.08534	2.9
145.06462	1.1
145.08904	0.3
145.10069	0.6
146.09631	0.5
147.08049	0.5
148.11136	0.3
153.06961	0.5
155.06047	0.4
155.08553	1.4
157.06491	0.9
157.10205	0.4
158.09607	1.2
159.08058	1.1
159.10390	0.5
160.11186	0.6
163.07480	0.4
164.37228	0.3
165.07048	1.1
166.07797	0.7
167.08566	1.6
169.06470	0.6
169.10121	0.7
171.08046	0.5
172.11240	0.8
173.09593	0.4
173.11961	0.3
174.12758	0.4
175.07570	0.3
176.10628	0.4
178.07802	0.7
179.08513	1.5
180.09273	0.6
181.10162	0.8
183.08040	0.8
185.09645	0.6
186.12737	1.7
187.13487	0.6
188.14313	0.9
190.12186	0.4
191.08575	0.6
192.09344	0.5
193.10158	1.4
195.07924	0.3
195.11696	1.1
197.09633	0.5
202.07709	0.4
202.12178	0.4
203.08612	0.7
204.13936	0.3
205.10081	1.9
207.11703	0.9
209.09746	0.7
210.12787	0.5
211.11269	0.6
216.09349	0.6
217.10190	0.5
218.11716	0.5
219.11684	1.0
220.08673	0.3
221.09517	0.5
221.13194	0.9
223.11151	0.9
225.12814	0.4
229.10251	0.4
231.11652	0.7
235.11169	0.6
237.12730	0.4
239.10754	0.6
249.12828	0.6
251.14209	0.4
265.12247	0.5
277.12143	0.7
278.15390	0.3
304.16815	0.5
310.18039	0.4
322.18008	0.9
340.19049	0.4
354.20670	0.6
382.19995	0.5
400.21127	0.4
414.22800	0.7
432.23703	2.5
444.21741	0.6
476.24152	1.1
494.25348	1.0
504.23740	0.3
522.25049	0.9
526.27209	0.4
536.26501	2.3
554.27478	6.0
586.30005	100.0
587.30371	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	586.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
51.21125	0.4
53.03936	1.4
53.04161	0.4
55.05490	0.5
56.05013	0.7
58.06595	1.8
67.05478	0.5
69.19274	2.0
70.06583	0.9
71.04980	0.9
77.03925	1.2
79.05480	1.3
80.05016	0.8
81.07066	0.8
83.39516	0.4
84.08137	2.1
85.02901	1.0
88.07629	3.7
91.05481	2.8
94.06557	3.3
94.11427	0.4
95.04953	5.4
96.08098	0.5
103.05510	0.4
105.03381	39.7
105.04515	2.2
105.07019	1.6
106.03670	0.7
108.08138	1.0
109.06551	0.5
110.09655	1.0
111.08038	0.9
114.09168	1.5
115.05412	0.6
117.07018	1.4
119.08564	0.5
120.08105	0.8
121.06490	0.9
123.04433	1.4
128.06174	0.5
129.07018	1.4
131.08577	1.3
133.06509	0.5
134.09639	0.5
140.10715	1.5
141.07028	1.3
142.07776	0.5
143.08560	1.0
145.06453	0.5
147.04402	0.8
149.05991	0.5
153.07062	0.8
155.08582	1.4
157.06549	0.5
157.10181	0.6
160.11197	0.6
161.12173	0.6
165.06989	0.9
166.07787	0.6
167.08578	1.6
168.09288	0.5
176.07091	0.7
178.07805	0.5
179.08554	0.9
181.10101	0.9
185.09720	0.6
191.08635	1.3
193.10152	1.2
195.08092	0.6
203.08571	0.9
205.10104	1.1
213.02277	0.4
215.08556	0.5
216.09378	0.7
219.11746	0.7
221.09740	0.7
223.11230	0.9
225.09126	0.6
225.12885	0.5
231.11694	0.8
249.12689	0.6
264.13812	0.6
265.12228	1.0
277.12277	0.6
278.15640	0.5
279.13803	0.6
308.16498	1.0
310.14401	0.5
312.19559	1.6
326.21054	0.4
340.19043	11.7
341.19293	0.5
344.18396	0.5
354.20956	0.5
368.18497	0.7
372.21661	1.2
382.20233	0.7
400.21204	2.1
414.22751	0.7
432.23898	1.5
434.23056	1.5
462.22693	11.7
463.23431	0.8
464.26556	2.1
466.22052	1.4
476.24695	0.5
494.25308	10.9
495.25595	0.9
526.27997	6.9
554.27460	3.5
563.78711	0.5
586.30011	100.0
587.30432	6.5
592.88269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05505	0.8
56.05007	0.6
57.03430	0.8
58.06592	2.4
58.37361	0.5
63.35338	0.6
67.05495	1.3
69.03415	1.9
69.07061	0.6
70.06583	1.0
71.04981	1.5
74.42369	0.5
75.04459	0.7
77.03902	0.8
79.05479	2.0
81.03413	1.2
81.07034	2.1
84.08144	0.9
85.02901	4.4
86.06036	0.7
86.38195	0.6
87.00817	1.6
88.07622	2.7
91.05466	2.5
93.07029	1.8
94.06562	1.8
95.04964	4.6
95.08567	1.1
97.02879	1.3
97.06498	0.8
97.10142	0.8
99.04404	0.6
99.08100	0.6
101.05999	0.7
105.01878	3.6
105.03381	30.8
105.04482	1.3
105.07005	3.2
106.03726	0.8
107.04931	0.6
107.08581	0.7
108.08105	1.8
109.02882	1.4
109.06506	1.5
109.10158	0.5
111.08071	2.1
113.57661	0.6
115.05443	0.8
117.06998	1.7
119.08575	1.0
119.37379	0.6
121.06493	1.0
122.09650	0.6
127.03909	2.8
128.06235	0.6
129.06990	2.4
131.08557	1.7
132.08086	0.6
133.10165	1.3
133.54404	0.7
134.09607	0.8
135.08047	0.6
137.11945	0.5
140.10675	1.0
141.06990	1.6
142.12271	0.8
143.08551	1.5
144.08047	0.8
145.06442	0.8
145.10106	0.9
146.09665	0.6
147.08038	0.8
147.11684	0.6
152.10622	1.3
153.06934	0.7
155.08551	1.4
157.10069	0.9
158.09558	0.7
159.11705	0.9
161.09543	1.0
165.06950	0.9
167.08572	1.1
172.11209	1.1
174.09093	0.8
178.07716	0.8
179.08542	1.3
181.10100	0.9
191.08513	1.0
193.10127	1.4
195.08043	0.9
195.11714	1.3
197.46696	0.6
203.08578	1.0
204.09280	1.2
205.10170	1.1
206.10867	0.7
207.11589	1.1
215.08521	0.8
216.09387	1.0
218.15395	0.9
219.11620	1.0
221.13284	0.8
229.10210	0.8
231.04959	1.0
231.11710	0.7
249.12698	0.6
265.12097	0.7
267.21017	0.8
276.13687	0.5
276.17444	1.3
281.28604	0.6
285.22116	2.0
294.18469	1.0
303.23065	1.9
308.16428	1.0
312.19559	1.1
322.17984	1.5
340.18954	5.8
354.20346	0.7
368.18335	2.7
372.21707	1.0
382.20010	1.2
400.21027	1.6
431.25906	0.7
432.26703	0.7
462.22540	3.3
464.26733	1.3
470.25311	1.5
494.24985	4.9
498.24582	4.5
526.27911	5.1
554.27563	3.0
585.32336	0.9
586.30048	100.0
587.30560	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	586.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01865	0.4
55.05508	0.4
56.05016	1.1
57.03424	0.9
58.06595	5.5
61.02914	1.5
67.05492	1.0
69.03418	3.9
69.17040	1.9
69.17427	0.8
70.06578	0.6
71.04965	1.1
72.08152	2.9
73.02915	1.0
79.05486	1.2
80.05014	0.4
81.03404	1.3
81.07042	0.8
84.08136	1.4
85.02887	4.9
87.04466	0.7
91.05459	2.1
93.07028	1.1
95.04969	0.6
95.08577	0.4
96.08102	0.4
97.02896	2.5
98.09664	1.0
99.04407	0.5
102.09164	1.8
105.07040	1.4
107.04942	1.1
108.08112	4.3
109.02879	0.8
115.05447	0.7
117.06971	0.9
119.08536	0.6
121.06493	0.7
121.08891	0.4
122.03687	0.5
122.09634	2.2
123.04420	1.2
124.11253	2.1
127.03905	1.0
128.06213	0.9
128.10667	0.6
129.07043	2.2
131.08571	1.4
132.80797	0.3
133.06461	0.6
133.10089	0.7
137.05957	5.5
141.06963	1.0
142.07727	0.6
143.08566	1.5
144.64444	0.4
145.04921	0.5
145.10144	0.6
152.10744	1.1
154.12251	4.7
155.08543	1.6
156.05705	0.5
157.06525	0.8
157.10130	0.9
159.08102	1.0
165.06876	0.6
166.07701	0.4
167.07057	4.3
167.08519	1.1
169.10115	1.2
171.11678	0.6
172.11229	0.5
173.05972	0.5
174.12759	1.2
175.07547	1.5
179.08563	1.1
179.64299	0.4
181.10086	1.2
183.11754	0.5
186.12756	0.6
187.07553	2.0
188.14436	0.6
191.08585	0.5
193.10098	0.7
195.11739	0.8
199.11157	0.5
199.13641	0.4
200.14299	0.4
203.08656	0.5
205.08562	0.7
205.10220	0.5
207.11684	0.4
217.08578	2.8
219.11832	0.5
221.13351	0.7
230.66833	0.4
235.09679	0.5
247.09642	0.5
249.12798	0.7
253.45273	0.4
262.23819	0.6
314.17361	0.5
324.19608	1.0
328.19012	0.5
338.21051	0.4
341.13782	1.6
342.20560	2.0
353.13763	1.6
356.22192	2.5
371.14853	2.1
374.23264	3.8
388.24780	1.0
406.25943	1.4
423.12814	0.5
424.28165	0.4
504.25787	1.6
510.26971	0.7
536.28461	3.1
568.31104	8.8
586.32135	100.0
587.32520	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	586.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.5
58.06592	6.7
58.18262	0.4
61.02923	1.6
67.05524	0.5
69.03420	0.9
71.01336	0.5
71.05001	1.1
72.08142	3.7
79.05504	0.8
81.03423	0.6
81.07053	0.5
84.08113	0.5
85.02909	1.5
86.09707	1.5
90.82666	0.4
91.05489	2.1
91.30930	0.4
93.07040	0.7
94.06569	0.5
95.04952	0.6
97.02887	0.5
98.09695	1.2
102.09167	2.4
104.74323	0.4
105.06387	0.5
105.07061	1.3
107.04973	0.6
108.08087	3.9
109.02891	0.4
109.06470	0.4
117.07038	1.1
119.08604	0.7
122.09655	3.6
123.04449	0.6
124.11236	2.7
129.07018	1.6
131.08583	1.6
137.06049	0.6
140.10735	0.7
141.06990	1.2
143.08560	1.5
145.10110	0.9
147.08075	0.5
152.10663	0.7
154.12219	7.8
154.13347	0.6
155.08592	1.2
157.10147	1.1
165.07030	1.0
167.08614	0.8
168.09300	0.5
169.10190	1.2
171.11638	0.5
172.11241	1.1
174.12776	1.0
175.13557	0.4
179.08580	1.0
179.42502	0.4
180.09297	0.5
181.10109	1.6
183.11703	0.6
186.12801	0.5
188.14381	0.5
193.10121	1.1
195.11716	0.7
205.10130	0.8
207.11691	0.8
221.13304	1.3
225.12979	0.6
225.15096	0.6
254.15370	0.5
255.79895	0.5
261.38354	0.4
324.19644	1.0
328.19147	0.9
356.22171	6.9
370.23785	2.3
388.24744	12.2
389.25241	0.6
406.25970	1.5
424.26999	0.8
431.47952	0.5
479.62415	0.5
568.31140	4.2
586.32117	100.0
587.32452	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	586.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01863	0.5
55.05503	0.3
56.05032	2.2
57.03434	1.5
58.06592	5.0
61.02913	1.8
61.73932	0.3
67.05492	1.1
67.32915	0.3
68.05009	0.8
69.03421	5.8
69.07066	0.3
70.06585	0.5
70.13766	0.3
70.94939	0.5
71.01344	0.4
71.04979	1.2
72.08155	1.3
73.02919	1.5
79.05487	1.3
81.03415	1.8
81.07056	1.0
82.06586	1.5
84.08134	1.2
85.02892	8.2
87.04456	1.8
88.07637	0.3
91.03933	0.4
91.05477	2.0
93.07042	1.5
94.06578	0.5
96.08134	2.8
96.44234	0.3
97.02872	3.3
98.09678	0.4
99.04469	0.5
99.20496	0.3
101.02361	0.5
105.07026	1.1
108.08103	4.0
109.02882	0.7
110.09657	0.5
112.07599	0.4
114.09150	4.1
117.07014	1.1
119.04918	0.3
119.08572	0.6
122.09681	1.0
126.09138	0.8
127.03870	1.8
128.06186	0.4
129.07013	1.3
131.08569	1.4
133.06476	0.5
133.10114	0.3
134.09584	0.4
134.38310	0.3
137.06018	0.7
138.09143	0.7
140.10684	1.5
141.07004	1.1
143.08551	1.6
145.06451	0.3
145.10094	0.5
147.08023	0.3
148.11191	0.4
148.19290	0.3
153.06996	0.6
154.07727	0.4
155.08510	1.5
157.10104	0.7
158.09607	0.4
159.08034	0.6
159.11722	0.4
160.11278	0.5
165.06969	0.5
166.07777	0.3
167.07147	0.3
167.08589	0.8
169.10120	1.1
171.11726	0.4
172.11143	0.3
173.09654	0.5
173.11934	0.4
174.12804	1.0
178.07668	0.3
179.08548	0.9
180.09387	0.4
181.10143	1.0
183.11694	0.4
185.13182	0.4
191.08376	0.4
191.93945	0.3
192.09341	0.6
193.10159	0.8
195.11731	0.8
197.09584	0.5
197.13300	1.0
204.13766	0.5
205.10168	0.3
205.14781	0.4
207.11801	0.8
207.89230	0.4
209.13310	0.3
213.12747	0.5
221.13306	0.5
223.14825	0.4
225.12703	0.6
231.13890	0.4
243.13814	1.5
251.14348	0.4
261.14722	0.4
275.14929	0.3
310.17987	0.5
312.19531	0.5
324.19440	0.4
342.20566	1.7
343.30905	0.3
344.22260	1.2
356.21915	0.5
356.55975	0.3
360.21667	0.9
374.23227	3.8
376.24939	0.8
378.22885	0.4
388.24603	0.6
392.24222	3.2
406.25781	8.5
407.26141	0.4
416.25247	0.3
424.26886	21.6
425.27148	1.3
522.27228	0.3
536.28467	1.2
540.28210	0.5
554.29535	0.6
568.31085	17.0
569.31750	0.7
586.32129	100.0
587.32416	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	586.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.00664	0.5
55.01870	0.6
56.05029	4.0
57.03429	1.6
58.06593	6.9
61.02917	1.2
67.05505	1.0
68.05025	0.7
69.03422	5.5
70.38493	0.6
71.04987	3.1
71.44769	0.6
72.08146	2.5
73.02916	0.9
79.05492	2.1
80.05005	0.7
80.51234	0.6
81.03412	1.4
81.07046	1.5
82.06585	1.5
84.08150	1.1
85.02901	7.4
87.04461	0.8
91.05470	2.1
93.07047	1.7
95.04951	1.2
95.08611	0.6
96.08123	2.0
97.02885	3.2
97.06599	0.6
98.09673	1.1
102.09186	1.2
105.03468	0.6
105.07033	1.7
107.04977	1.2
107.08505	0.7
108.08099	5.0
109.02891	1.7
114.09179	2.5
117.07027	1.3
119.08575	1.0
121.06580	0.5
122.09698	1.2
124.11196	1.3
127.03979	1.5
128.06274	0.6
128.10724	0.7
129.07011	3.0
129.10204	0.6
131.04988	1.0
131.08551	2.9
134.09633	0.6
136.11278	0.6
137.05984	2.4
141.07002	1.4
143.08582	2.2
148.11176	0.8
149.09607	0.7
153.07100	0.8
154.12270	1.3
155.08568	2.7
157.06526	0.6
157.10161	0.7
158.07329	0.8
159.08037	1.1
160.11252	1.0
161.05869	0.9
166.07813	0.9
167.07120	1.6
167.08546	1.0
169.06459	0.7
169.10176	1.4
171.08051	0.7
171.11758	0.8
172.11179	0.7
173.05966	0.8
174.12860	1.1
175.07538	0.8
177.05515	1.4
179.08577	1.8
180.09308	1.0
180.45053	0.7
181.10161	1.8
186.12843	1.0
187.07553	0.8
192.09312	0.8
193.10193	1.3
195.08054	0.7
195.11771	1.1
197.09470	0.6
197.13319	1.6
202.15413	0.6
205.10139	0.8
207.11646	1.0
209.13136	0.7
213.12857	0.8
217.08649	1.4
218.15450	0.7
225.12779	1.8
237.12762	0.8
241.66782	0.6
243.13791	1.2
262.23718	0.8
272.63809	0.6
273.90186	0.7
300.19666	0.6
328.19308	0.8
342.20798	1.9
346.20264	1.3
353.13882	1.2
356.22305	1.1
360.21643	1.3
371.14981	0.8
374.23288	3.7
388.24948	2.2
392.24252	4.9
404.44778	0.6
406.25772	10.4
406.34201	0.8
424.26904	21.9
425.27509	1.0
508.25488	1.7
522.27087	0.7
536.28650	1.3
545.82684	0.7
568.31091	21.2
568.39838	1.2
569.31451	1.3
586.32202	100.0
587.32483	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	586.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.5
57.07063	10.4
58.06606	0.7
70.06579	0.9
74.06063	2.7
79.05466	0.6
81.07047	0.8
88.53929	0.4
91.05477	2.0
93.07016	0.7
94.06538	2.6
95.04995	0.7
98.22648	1.3
105.03381	0.5
105.07027	3.1
105.07689	0.5
106.69785	0.4
108.08105	0.9
110.06055	0.7
110.09658	0.4
112.07596	0.6
116.07032	0.6
117.06987	1.2
119.08554	1.0
129.07007	1.4
130.14229	0.4
131.08559	1.3
132.08072	1.6
134.09618	0.6
141.07054	0.7
143.08565	1.6
144.08067	0.6
145.06453	0.7
145.08871	0.5
146.09639	0.9
147.08006	0.7
148.11188	0.9
149.09619	0.4
155.08510	2.1
157.08887	2.4
157.10098	0.9
158.09605	7.4
158.10789	0.5
159.08098	0.5
160.07623	0.5
160.11200	1.1
161.12085	0.4
162.09164	0.8
162.12715	0.5
165.07043	1.3
166.07858	0.7
167.08557	1.0
168.09358	0.4
169.10172	1.1
171.08107	0.6
171.10361	0.4
172.11211	0.6
174.09134	2.8
176.10687	0.8
178.07657	0.7
179.08578	1.6
179.94153	0.4
180.09322	1.5
181.10164	2.2
181.80814	0.4
183.11716	0.4
184.11200	0.8
187.81313	0.4
192.09317	1.2
193.10109	2.2
194.10936	0.6
195.11627	2.4
198.12810	0.5
204.09325	0.8
205.10110	0.8
206.10893	0.7
207.11732	1.5
209.13307	1.1
211.11325	0.4
212.10893	0.4
215.08536	0.6
216.10110	0.5
217.10173	0.6
218.10988	0.5
219.11658	0.8
221.13269	1.1
223.14894	0.5
224.14322	0.6
230.10855	0.5
233.13231	0.8
234.12749	0.5
235.14830	1.5
236.14508	0.6
250.15878	0.8
251.14253	0.8
254.15428	0.4
260.14346	0.4
263.14200	1.1
264.17404	0.5
266.15466	1.0
266.19009	0.7
276.17426	2.3
278.15536	0.6
292.16855	0.8
294.18433	4.2
304.16925	0.9
312.19595	0.8
322.17926	5.3
340.18930	2.7
349.16254	0.4
354.20724	1.7
364.18976	0.8
382.20071	9.1
396.25330	0.6
400.21234	1.5
424.25098	0.4
445.27817	0.4
446.28110	1.3
456.27328	6.2
464.29102	0.5
466.25729	0.7
474.72543	0.4
484.26865	24.1
485.27399	1.1
502.27969	1.1
586.33594	100.0
587.34003	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	586.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
57.07067	35.1
67.05492	0.8
69.07051	2.2
71.08620	24.2
73.06547	8.2
81.07050	1.2
83.08604	2.1
85.10168	20.6
86.10473	0.5
87.04458	7.1
89.06017	100.0
90.06348	0.7
91.07552	1.1
93.07001	0.9
95.08562	0.7
97.10164	3.6
99.11716	4.6
100.12973	0.5
100.47453	0.5
105.06998	0.6
107.07063	2.0
111.11710	0.9
113.13277	1.1
117.09128	6.2
130.08646	1.4
131.07024	2.1
133.08585	46.7
135.10207	0.8
155.17914	3.7
161.11719	1.7
175.09633	1.5
177.11191	16.8
191.61436	0.6
199.20569	4.0
221.13835	3.2
243.23152	6.5
265.16440	0.9
283.17526	1.4
287.25858	4.1
309.18982	0.6
327.20197	1.1
371.22885	1.0
415.25330	2.4
481.37149	0.7
525.39819	0.7
556.36517	0.7
569.42413	3.5
586.44611	1.6
587.35876	1.0
588.17706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93888	1.9
54.52674	1.8
55.01865	2.4
65.03932	2.0
69.06326	2.1
70.00537	2.1
70.43700	1.8
78.53903	2.2
79.05478	2.8
85.02906	7.5
87.61596	1.9
91.05464	9.5
93.07011	3.1
95.04963	3.9
97.02892	3.4
103.05451	8.8
105.07027	7.8
106.04168	6.6
107.04940	15.2
119.04918	4.7
121.06460	10.3
127.03894	2.5
129.06963	4.7
131.04907	7.7
131.08546	3.2
132.05653	2.5
133.06511	5.3
135.08055	4.1
137.05957	7.0
146.07188	2.2
148.05179	2.7
149.05960	12.9
151.07536	6.3
153.09123	3.5
157.06461	2.7
161.05952	100.0
161.09593	22.2
163.07506	19.4
167.07008	31.3
167.08286	2.8
174.06721	3.4
175.07523	8.9
177.05487	7.7
179.07079	3.7
180.07701	2.5
181.08572	15.3
189.09091	60.2
191.06958	12.5
192.07785	7.1
207.10141	99.0
208.10503	2.7
209.08080	18.3
219.10121	2.9
269.78638	2.1
317.13974	5.7
343.15311	7.8
349.09750	2.9
361.16336	42.9
373.16235	6.4
587.09448	2.3
592.68042	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	588.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70579	0.7
55.01876	1.7
57.03439	0.8
57.03860	0.8
67.05482	1.1
67.71868	0.7
69.03427	1.5
77.03953	0.9
79.05485	4.7
81.03394	1.0
85.02927	1.4
91.05456	4.6
93.07066	1.3
95.04958	1.6
97.02907	1.4
103.05463	7.6
104.06255	0.9
105.03395	0.9
105.07021	20.7
107.04948	2.9
109.06481	1.0
115.05468	1.8
118.04132	5.4
119.04948	5.1
121.02877	1.0
121.06490	2.1
122.07320	1.2
122.38645	0.7
123.08067	1.5
127.03938	0.9
131.04907	7.6
133.02835	5.1
133.06474	18.5
134.07268	1.2
135.04420	2.3
135.08028	4.4
137.05954	11.0
146.03580	1.3
147.04370	4.4
149.05942	4.4
150.06754	13.8
151.07498	5.1
161.05997	3.2
163.07521	9.6
165.05493	1.8
165.09108	13.7
167.07028	8.3
178.06209	1.2
179.06982	5.4
181.08560	1.4
193.08588	57.4
194.08856	1.6
195.10248	0.9
211.09627	100.0
212.10014	2.0
213.11206	1.3
229.14360	1.2
341.13882	1.3
361.16339	2.9
450.60001	0.8
588.28735	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	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59572	1.4
58.06585	2.3
65.03934	1.5
69.03422	3.0
77.03933	1.5
78.04702	2.0
79.05482	2.3
81.07006	1.6
84.08124	1.9
85.02464	1.4
85.02886	9.0
85.06513	2.3
91.05475	9.4
93.07050	3.7
95.04943	3.3
97.02857	4.7
103.05460	9.2
105.03435	1.6
105.07027	6.8
106.04157	5.3
107.04934	14.5
109.06477	1.9
110.06033	3.5
111.04427	1.7
115.03962	1.8
119.04937	4.6
120.05708	2.0
121.06487	12.1
123.04402	1.9
125.06000	2.3
127.03925	1.9
128.06190	1.9
129.06995	4.7
131.04933	7.4
131.08583	2.9
132.05695	3.6
133.04944	2.1
133.06477	4.0
135.08051	3.5
137.05923	7.9
146.07233	3.2
147.04385	2.1
148.05179	5.1
149.05966	13.0
151.03839	1.5
151.07512	4.5
153.09126	3.2
157.06462	4.5
160.05110	1.4
161.05952	86.8
161.09566	21.8
162.06320	1.6
163.03830	1.9
163.07542	18.2
165.05478	3.6
165.09155	2.0
167.07011	30.9
174.06689	3.7
175.07504	8.8
177.05508	9.8
177.09048	2.7
179.07054	2.2
179.10553	1.8
179.56129	1.5
180.07764	3.2
181.08566	19.7
189.09079	60.9
191.06987	16.2
192.07809	5.4
193.08604	5.0
207.10135	100.0
209.08058	18.8
219.10143	3.0
257.11688	2.2
259.15399	3.7
279.09827	1.5
283.13297	1.6
285.11206	3.0
310.10754	1.6
315.12299	2.0
317.13736	5.5
329.13733	1.7
331.15540	1.5
341.13803	2.9
343.15256	9.2
361.16406	40.1
373.16217	5.3
415.83713	1.8
523.35028	1.5
588.33197	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	588.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03416	0.8
57.45456	0.7
58.06575	0.7
58.84255	0.6
59.05016	0.6
61.49495	0.6
67.05479	0.8
69.03428	1.5
70.06583	27.9
71.44868	0.7
79.05486	4.7
81.03386	1.1
82.02979	0.6
85.02888	1.7
90.20641	0.6
91.05466	5.7
93.05833	0.7
93.07021	1.3
95.04948	2.4
96.08117	0.7
97.02848	1.0
102.04568	0.8
103.05461	5.7
105.03364	2.8
105.07016	19.3
107.04937	2.8
109.02876	2.2
109.06565	0.7
110.09668	1.0
112.07592	22.3
115.05437	1.1
117.07022	0.8
118.04144	5.7
119.04949	3.8
120.05723	1.4
120.08045	0.7
121.02803	0.8
121.06452	1.7
122.07285	1.2
123.04361	1.0
123.08064	1.4
124.05154	1.3
127.03918	0.7
131.04926	7.2
132.05600	0.9
133.02856	5.4
133.06470	17.4
134.07291	1.3
135.04401	2.2
135.08020	4.1
136.07542	0.9
137.05946	7.6
140.07042	12.1
146.03601	1.3
147.04398	3.8
149.05919	2.2
150.06744	11.0
151.07512	5.5
152.08324	1.0
158.08099	2.2
161.05907	3.1
163.07520	10.5
165.05481	1.5
165.09108	14.0
166.08632	1.9
167.07014	9.4
177.05423	1.1
178.06227	1.7
179.07034	4.8
181.08574	1.0
193.08575	58.2
194.08936	1.7
195.10161	1.3
211.09624	100.0
212.09993	2.2
213.11139	1.5
273.73325	0.7
287.05447	5.4
341.13690	1.2
361.16418	2.2
398.58978	0.9
469.09933	0.7
588.28979	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	588.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.6
51.26050	0.9
53.03935	3.1
56.05034	4.4
58.06595	8.3
62.26986	0.9
67.05482	1.6
69.03432	1.0
69.62017	1.8
69.62399	1.9
70.06586	1.2
71.04980	2.7
72.04507	2.1
74.06066	2.1
75.04459	2.0
77.03911	2.2
79.05497	2.4
80.04986	0.8
81.03415	2.1
81.07049	1.2
84.08116	1.0
85.02901	3.8
87.04452	5.4
88.07640	0.9
91.05479	3.2
94.06577	2.6
95.04955	14.2
95.08590	1.6
97.06490	0.9
103.05514	1.1
105.03379	80.6
105.04401	5.7
105.07007	2.2
106.03693	1.4
107.07296	2.4
108.08088	5.8
109.02858	1.1
109.06498	1.4
111.08053	1.0
111.70195	0.9
117.06997	1.5
120.08083	1.3
121.06498	1.2
122.09714	1.3
123.04448	1.6
124.07621	1.0
124.11173	1.0
129.06985	2.9
131.08612	1.1
132.03001	0.9
133.08876	1.0
138.09132	12.5
141.06967	2.0
143.08528	1.9
144.08073	1.7
146.09660	1.2
152.10677	1.1
153.07088	1.7
154.12233	1.2
155.08548	2.0
157.06499	2.1
157.08852	1.7
157.10069	1.4
158.09660	2.5
159.08043	2.0
160.07533	1.2
162.09052	1.1
164.10701	3.2
165.06981	4.0
167.08568	3.6
169.06468	0.9
169.10172	1.1
171.08093	1.6
174.09219	1.4
177.05501	1.4
177.06982	1.5
178.07729	3.9
179.08545	7.0
180.06494	2.1
181.06522	1.4
182.09628	2.1
183.08037	4.3
184.11142	1.3
185.09811	1.0
188.10728	1.1
190.07773	2.2
191.08527	3.7
192.09239	2.2
193.10149	2.8
194.07300	1.1
194.09624	1.2
195.08054	5.0
195.10294	1.1
196.11224	2.0
196.99010	1.5
198.09108	1.4
199.07556	1.5
200.10768	1.7
202.07733	1.5
203.08539	2.9
204.09418	1.0
205.10228	2.6
207.08047	7.6
207.11841	1.1
208.08842	1.1
208.11137	1.3
209.09645	2.0
210.09146	2.6
211.09752	1.4
212.10725	4.0
214.12276	1.5
214.73750	0.9
215.00117	1.5
215.10641	2.2
219.08121	2.0
221.09593	2.7
223.07619	1.3
224.10670	3.2
225.09280	1.3
225.11467	1.1
226.12341	1.7
231.08160	1.8
233.01294	1.8
233.09561	2.0
235.07410	1.2
235.11200	1.2
236.10655	1.6
237.08990	1.3
238.12158	1.4
239.10661	2.4
242.11707	3.4
248.10684	1.0
249.09142	1.3
249.12720	1.1
251.10519	1.4
252.13754	1.5
254.11768	2.0
256.13089	4.3
263.10663	2.2
266.11700	1.5
267.10013	1.6
268.13199	1.1
270.14807	2.1
274.14377	1.5
280.13086	1.0
281.11456	1.4
284.13110	1.0
286.14532	1.6
288.15863	4.0
298.14349	1.9
330.06183	1.0
330.17050	4.9
338.17542	1.6
341.13507	0.9
342.16843	1.3
362.19553	6.4
378.61835	0.9
384.17850	1.5
398.19513	1.8
402.22650	1.2
403.15500	1.1
406.16312	1.5
416.20508	4.0
420.17868	2.9
425.18576	1.1
434.25293	1.5
448.23196	3.2
450.19165	4.9
452.14825	1.6
452.20651	18.5
453.21021	1.4
466.22128	3.0
466.28000	3.7
482.21432	2.5
484.22983	2.7
496.22412	1.0
500.26355	2.2
506.20810	1.3
520.22766	1.2
524.26599	1.2
528.25751	1.6
529.26776	1.0
538.23877	6.3
552.25952	1.5
556.29358	6.4
570.26917	27.5
571.27448	1.5
588.31628	100.0
589.32446	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	588.316
Annotation	Nummularine R
Peak:m/z	Relative Intensity
53.03948	0.3
56.05022	1.0
58.06592	5.3
63.65054	0.4
69.03421	0.4
71.04987	1.0
72.08154	1.2
75.04478	1.3
77.03880	0.4
79.05476	0.9
81.03428	0.6
84.08143	0.5
85.02876	0.4
88.07629	0.5
91.05470	2.6
93.07053	0.6
95.04987	0.8
96.08127	0.5
97.06517	0.4
102.09171	0.4
105.03398	3.1
105.07012	2.4
107.04968	0.9
108.08136	1.1
109.06484	0.5
111.08105	0.8
115.05463	1.1
116.06227	0.4
117.07014	1.5
119.04957	0.6
121.06513	3.0
121.08923	0.5
122.09679	1.0
128.06244	0.5
129.06981	2.4
131.08557	1.0
133.06468	0.7
134.09636	0.5
135.08054	0.9
137.05934	0.4
137.08374	0.4
140.10712	0.5
141.07001	1.3
143.08469	0.5
145.06497	0.9
146.09619	0.5
148.11249	0.6
149.05962	0.5
152.10741	1.1
153.06981	0.6
155.08530	1.1
158.09695	1.5
159.08131	0.6
160.11166	2.7
163.07587	0.5
165.06973	1.0
165.09203	0.4
166.07800	0.4
167.07094	0.9
167.08527	0.8
169.06624	0.4
171.08014	0.8
172.11209	1.2
176.10666	0.5
177.09171	0.4
178.07819	1.3
179.07091	0.8
179.08571	1.1
181.10178	0.7
183.08044	0.6
184.11200	0.5
185.09720	0.6
186.09207	0.4
187.07573	0.4
188.10782	0.8
189.07007	0.4
190.07744	0.6
190.12251	0.7
191.08609	1.5
192.09369	1.1
193.08601	0.4
193.10135	1.8
195.07997	0.5
197.09708	0.6
202.07837	1.5
202.12224	0.5
203.08533	2.1
203.13077	0.5
204.09352	1.3
205.10156	2.1
206.07281	0.4
206.10970	0.7
207.11739	1.3
209.09560	0.5
210.13043	0.4
213.09163	0.6
217.10054	2.4
219.11749	1.3
220.08847	0.7
221.09639	1.3
222.12642	0.4
223.11157	0.6
229.10239	0.5
235.11186	2.7
237.12666	0.6
238.12221	0.4
245.09581	0.5
246.10390	0.5
247.11363	0.8
249.12787	0.8
260.14413	0.4
263.10657	0.4
265.12131	0.5
267.13739	0.7
276.13992	0.5
277.12109	0.6
292.16916	0.6
295.13354	1.3
308.16443	0.6
310.17932	0.5
320.16602	0.7
324.19769	0.4
326.17639	0.6
328.19101	0.8
330.78888	0.4
334.18112	0.8
338.17422	0.4
340.19156	0.7
352.19070	1.0
358.20239	1.6
360.21750	0.7
366.20642	0.9
370.20270	0.9
375.90213	0.4
384.21643	3.0
390.22510	0.7
402.22662	5.5
416.24240	12.8
417.24780	0.7
434.25378	11.7
435.25549	0.7
448.26865	1.8
466.27936	31.3
467.28317	1.3
538.28003	0.7
556.29279	0.7
588.31604	100.0
589.32007	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	588.3168
Annotation	Nummularine R
Peak:m/z	Relative Intensity
50.01583	0.4
51.02382	0.5
53.03940	1.2
56.05031	5.2
56.06202	0.4
57.97274	0.4
58.06594	8.5
67.05504	0.5
69.11818	1.0
69.12215	2.4
70.06587	0.8
71.04980	1.2
72.08155	1.1
75.04480	1.3
77.03935	2.4
79.05490	2.4
81.03402	0.8
81.07063	0.8
82.06548	0.5
85.02907	1.6
85.06529	0.5
88.28156	0.5
91.05470	1.8
93.07080	0.6
94.06527	1.2
95.04954	7.9
95.08617	0.6
97.02874	0.8
97.06510	0.5
102.09129	0.9
105.03380	44.9
105.04517	2.7
105.07023	1.6
106.03718	1.3
107.04951	1.0
108.08109	4.9
109.06528	0.8
111.08060	1.5
115.05369	0.6
117.07018	1.4
119.08552	0.7
121.06531	0.6
121.08844	0.5
122.09644	1.3
123.04465	0.9
124.07555	0.5
124.11190	0.7
125.02376	0.7
128.06206	1.4
129.06958	2.5
129.24173	0.5
131.08572	1.3
132.08061	0.6
133.02905	0.5
134.09648	0.5
137.05974	0.7
138.09102	0.8
141.06967	1.8
142.07800	0.7
143.08524	1.0
144.08038	0.7
145.06529	0.5
146.09642	0.7
148.07552	0.6
149.05965	0.6
152.10701	1.0
153.06927	0.9
154.12274	1.5
155.06041	0.7
155.08545	1.3
156.08081	0.5
157.10132	0.6
158.09575	0.6
159.08023	0.6
160.07483	0.9
160.11230	0.6
163.07632	0.6
165.06984	1.3
167.08513	1.1
169.10158	0.8
171.08015	0.8
178.07750	0.8
179.08522	1.6
183.08047	0.7
184.11122	0.6
191.08516	0.8
192.09251	0.5
193.10139	1.5
202.07805	0.7
202.94125	0.5
203.08572	1.3
204.09233	0.6
205.10181	1.1
207.08008	0.8
207.11734	0.7
217.10081	0.9
221.09634	0.9
223.11108	0.5
235.07524	0.9
235.11105	1.4
266.11713	0.6
274.15826	0.7
287.05536	0.5
295.13321	0.6
298.14218	0.6
338.17563	0.5
370.16330	1.6
384.21631	0.8
402.22842	1.2
416.24301	1.9
434.25436	2.6
437.37390	0.5
452.20432	1.9
466.27930	4.4
496.23166	0.9
524.26105	1.9
525.10364	0.5
528.25879	1.9
556.29218	10.9
570.27063	0.6
588.31775	100.0
589.32281	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	588.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31249	3.6
53.03951	5.5
56.05022	5.0
58.06580	8.9
67.05496	11.6
69.03406	11.9
69.07030	3.9
69.59847	8.6
69.60238	7.5
70.31807	3.1
71.05017	4.1
79.05476	6.7
80.41051	3.3
81.03420	10.1
81.07040	7.2
85.02894	33.1
87.00825	9.4
89.35395	3.2
91.05424	4.2
93.07009	5.5
95.04973	8.7
95.08586	15.5
96.10641	3.6
97.02877	15.2
99.04423	7.1
105.01875	20.3
105.03377	62.8
105.07031	8.8
107.08584	6.5
108.08099	6.3
108.23036	3.3
109.02878	5.3
109.10137	46.2
110.16743	3.5
119.08570	7.5
121.10140	4.3
127.03934	21.1
131.08525	4.1
132.83401	4.5
133.10141	5.7
135.11679	8.1
136.02800	4.0
136.76064	3.3
137.67183	4.0
138.09158	5.8
145.04915	11.9
147.11673	5.7
173.13297	4.0
229.19398	7.6
231.04979	10.7
249.06073	5.2
269.22687	18.9
287.23676	32.4
288.27527	3.8
288.70624	4.0
305.24622	13.2
383.11746	3.7
452.20511	8.1
556.28845	5.2
570.26428	9.1
588.31763	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	8.0
55.05497	18.2
57.03419	17.1
57.07071	44.9
65.94951	4.3
67.05495	33.9
69.07053	20.8
69.86765	6.8
69.87101	11.7
70.70583	5.1
70.80187	4.3
71.08617	40.8
76.72080	4.7
79.05089	4.6
79.05483	27.7
81.03410	26.2
81.07057	36.8
83.04964	6.6
83.08610	22.2
83.97055	4.4
85.10172	23.6
91.05444	15.3
93.07035	30.2
95.04955	17.1
95.08596	35.8
97.02882	5.9
97.06531	9.7
97.10190	8.1
104.88050	4.1
105.06997	11.2
107.04944	19.1
107.08563	16.6
109.06519	8.6
109.10128	17.7
111.04431	36.6
111.08066	4.6
117.07011	10.4
119.08562	17.8
121.06492	12.5
121.10118	17.1
125.05973	11.0
131.08521	12.8
133.10031	5.6
135.08084	5.2
135.11647	15.9
145.10097	29.5
148.01505	4.4
153.12721	9.7
163.11162	43.8
167.89191	5.1
173.09589	13.4
190.22394	5.0
191.10632	12.1
209.11726	14.2
223.13275	34.2
227.12560	10.6
227.64473	4.8
239.23761	6.0
241.14293	41.8
265.14453	8.3
283.15353	14.3
313.27322	100.0
315.17917	41.6
315.86038	4.5
485.04086	5.2
521.38538	42.4
553.40771	33.3
571.13068	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	590.295
Annotation	Benzoylmesaconine
Peak:m/z	Relative Intensity
51.02364	0.6
53.03938	1.1
69.03400	0.6
69.08530	2.8
69.08943	1.1
70.06586	1.2
71.04999	0.5
74.06066	0.7
75.04462	1.1
75.20436	0.5
77.03915	1.2
79.05492	1.3
82.06553	0.7
85.02887	1.0
91.05476	1.3
94.06567	2.0
94.71979	0.5
95.04961	6.3
97.02903	0.7
97.06492	0.6
98.22705	0.9
103.34962	0.4
105.03375	48.6
105.04531	2.2
105.07055	0.5
108.08128	1.1
109.06499	0.7
115.05442	0.7
118.45311	0.5
120.87901	0.5
123.04439	0.8
124.07606	0.7
125.02385	1.4
128.06213	0.8
129.07007	1.0
130.81613	0.4
131.08659	0.5
138.09154	1.7
139.36340	0.4
141.07132	0.5
143.08586	0.8
144.08109	0.6
146.09581	0.6
153.06970	1.0
154.07777	0.8
155.08568	1.4
157.06519	0.5
158.09669	0.6
159.08026	0.8
165.07031	0.9
166.07889	0.5
167.08553	0.8
170.09679	1.1
171.08076	0.7
172.11217	0.6
176.10706	0.6
178.07785	0.7
179.08609	1.0
182.09644	0.5
183.07980	0.5
184.11249	0.7
185.09474	0.8
188.10779	0.7
191.08586	0.7
195.08066	0.6
196.11101	0.7
202.12280	0.7
203.08617	0.8
205.10132	1.4
217.10152	0.6
222.10460	0.6
223.00185	0.5
233.09648	0.7
343.49637	0.5
347.36685	0.4
414.16870	0.5
476.20959	1.1
482.21429	1.4
494.21176	0.8
508.23260	3.8
526.24500	1.3
540.25800	7.2
541.27246	0.5
558.26941	1.5
572.28546	1.8
585.52460	0.6
590.29498	100.0
591.29828	8.2
592.44897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2953
Annotation	Benzoylmesaconine
Peak:m/z	Relative Intensity
50.01574	0.3
50.33538	0.2
51.02364	0.8
53.03934	1.6
55.01858	0.5
56.05017	1.1
58.06594	13.7
60.08165	0.3
67.05497	0.5
68.05036	0.3
68.89304	0.2
69.12268	1.0
69.12674	0.7
71.04982	0.4
72.08138	0.8
75.04475	0.6
77.03917	2.3
79.05482	1.4
80.05005	0.3
81.03413	0.6
82.06586	0.4
84.08131	0.5
85.02892	2.3
91.05479	1.8
93.07033	0.3
95.04956	8.2
96.08104	1.3
97.02905	0.6
97.06510	0.4
98.09676	0.6
103.05454	0.4
105.03380	59.2
105.04516	3.2
105.07018	0.9
106.03727	0.6
107.04941	0.7
108.08109	1.9
109.06508	0.6
110.09664	0.9
111.04440	0.3
112.07600	0.8
115.05397	0.4
117.07005	1.0
119.04953	0.3
119.08560	0.4
121.06492	1.0
121.10135	0.2
122.09681	0.6
123.04424	0.7
125.02355	1.2
125.05894	0.3
126.09197	0.2
128.06169	0.6
129.06979	1.5
131.04932	0.3
131.08575	0.5
133.06519	0.3
134.09642	0.4
137.06009	0.5
138.09155	0.7
139.03859	0.4
141.06995	0.9
143.07216	0.2
143.08580	0.9
144.05646	0.4
145.06467	1.4
145.08765	0.3
147.08104	0.5
152.06224	0.5
152.10745	0.6
153.06985	0.7
155.08549	1.0
157.06447	0.5
158.09634	0.6
159.07996	0.6
165.05574	0.5
165.07080	0.7
166.07750	0.5
167.08592	0.9
169.06470	0.8
169.10101	0.5
171.08047	0.7
172.08926	0.3
172.11198	0.5
173.05943	0.3
173.09634	0.4
174.12794	0.3
179.08577	1.0
181.06529	0.6
181.10187	0.3
183.08080	0.7
183.10426	0.5
184.08875	0.3
184.11246	0.9
185.09650	0.7
186.10558	0.4
186.12709	0.5
187.11256	0.3
190.07779	0.4
191.08551	0.8
192.09232	0.3
193.10065	0.7
194.07219	0.3
194.10828	0.3
195.08081	0.7
196.11200	0.5
197.09587	0.6
198.12735	0.4
202.07628	0.3
202.12254	0.3
203.08551	0.5
205.10144	1.1
207.08084	0.7
207.11699	0.3
208.08923	0.3
209.09636	0.7
210.12787	1.3
212.10628	0.4
213.09070	0.3
215.08595	0.4
217.10208	0.4
221.09599	0.7
223.11246	1.0
225.09117	0.6
228.13910	0.3
230.15300	0.3
231.07877	0.4
233.09634	0.8
235.11110	0.3
237.09113	0.3
239.10640	0.5
249.09039	0.6
251.10599	0.6
263.10596	0.4
290.15396	0.4
310.14328	0.3
318.14893	0.4
330.62964	0.3
336.15829	0.6
350.17697	0.5
368.18454	0.4
458.19409	0.3
482.21750	1.6
490.22479	0.8
508.23111	1.3
510.25177	0.3
515.88983	0.2
522.24762	1.1
526.24292	0.6
540.25922	6.3
541.26007	0.3
554.27576	0.9
558.26917	4.0
572.28485	11.9
573.28656	0.6
590.29510	100.0
591.29956	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	590.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
50.48142	0.1
50.62110	0.2
51.02362	0.6
53.03942	1.1
55.01854	0.4
56.05030	1.5
58.06591	7.5
63.10965	0.1
65.03923	0.2
66.81310	0.1
67.05482	0.4
69.03436	0.2
70.06572	0.4
70.65253	0.2
71.04986	0.5
71.44953	0.2
72.08138	0.5
72.21307	0.1
74.06104	0.2
75.04459	0.5
77.03916	1.1
79.05473	1.1
80.05019	0.3
81.03407	0.6
82.06549	0.4
84.08125	1.0
85.02890	2.0
86.06055	0.3
87.04457	0.7
88.07629	0.5
91.05461	1.0
93.07022	0.2
94.06551	0.5
95.04957	6.1
96.08113	0.7
97.02866	0.6
97.06507	0.3
98.09667	0.4
102.09167	0.3
103.05466	0.3
105.03378	39.2
105.04511	2.3
105.06978	1.0
106.03726	0.5
107.04953	0.6
108.08091	1.6
109.02831	0.2
109.06506	0.7
110.09673	0.5
111.04419	0.2
111.08044	0.2
112.07603	0.5
115.05450	0.5
117.07005	0.8
118.06547	0.2
119.04891	0.3
119.08587	0.2
121.06502	0.5
121.08865	0.7
122.09651	1.4
123.04408	0.6
124.07554	0.3
125.02326	1.3
128.06210	0.8
129.06999	1.8
131.04886	0.4
131.08556	0.8
133.06409	0.2
134.09633	0.4
136.07617	0.2
137.05966	0.5
138.09128	0.4
139.03856	0.4
140.07036	0.2
140.10664	0.2
141.06943	1.1
142.07704	0.2
143.08511	1.0
145.06487	0.6
145.08844	0.3
145.10063	0.2
146.09647	0.4
147.08047	0.4
147.10399	0.2
148.11172	0.2
149.05971	0.2
149.35747	0.2
152.06166	0.3
152.10686	1.1
153.07008	0.5
154.07756	0.4
155.08533	1.4
155.96431	0.2
157.06490	0.3
157.10104	0.4
158.09636	0.7
159.08078	0.8
159.10431	0.3
160.11232	0.6
161.05971	0.2
161.09711	0.3
162.09085	0.2
165.06918	1.1
165.12636	0.2
166.07785	0.5
167.08511	1.3
168.08028	0.2
169.06384	0.4
169.10094	0.5
170.09610	0.2
171.08047	0.5
172.11203	0.5
173.05988	0.3
173.09595	0.3
176.10690	0.3
178.07802	0.5
179.08504	0.9
180.09305	0.3
181.06488	0.4
181.10098	0.8
182.09677	0.2
182.11646	0.2
183.08044	0.4
183.10384	0.3
184.08841	0.2
184.11142	0.8
185.09561	0.6
185.12038	0.4
186.12749	1.0
187.07440	0.2
188.10728	0.3
189.09007	0.2
190.07787	0.4
190.12265	0.3
191.06999	0.2
191.08533	0.5
192.09341	0.4
193.10129	0.8
194.07220	0.2
195.08081	0.7
195.11734	0.4
196.08815	0.2
196.11137	0.3
197.09628	0.7
198.12732	0.6
199.07626	0.2
199.11192	0.2
200.10713	0.3
200.14346	0.3
202.07803	0.4
202.12283	0.6
203.08554	0.5
204.09241	0.4
204.13884	0.2
205.10033	0.8
207.08096	0.5
207.11755	0.5
209.09644	0.7
210.12759	0.5
211.07678	0.2
211.11404	0.2
211.13486	0.2
212.10542	0.2
212.14363	0.4
214.12267	0.3
216.13860	0.2
217.10115	0.4
218.07304	0.3
219.08003	0.2
221.09583	0.4
222.12810	0.3
223.07607	0.3
223.11166	0.4
225.09277	0.3
228.13864	0.3
232.08759	0.2
233.09583	0.7
235.07489	0.2
235.11212	0.5
236.14174	0.3
237.09219	0.3
238.12227	0.2
240.13872	0.2
242.11682	0.3
245.09686	0.2
247.11125	0.2
251.10596	0.5
253.12100	0.4
261.09079	0.2
263.10675	0.3
264.14053	0.2
268.13519	0.2
278.15411	0.3
280.13312	0.2
282.14740	0.2
290.15347	0.3
293.11804	0.2
350.17572	0.2
354.17004	0.2
360.17960	0.2
368.18613	0.3
374.19882	0.2
386.19632	0.6
392.20599	0.7
401.09113	0.2
404.20700	0.6
418.22296	1.3
436.23108	1.0
468.25772	0.2
472.21097	0.2
482.21649	1.7
490.22061	0.5
496.23361	0.6
508.23276	1.0
522.17834	0.3
522.24670	1.1
526.24255	0.7
540.25775	4.1
541.26306	0.3
554.27466	3.0
555.27380	0.2
558.26868	2.8
572.28534	3.4
590.29504	100.0
591.29810	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	590.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29757	7.8
55.05499	16.0
57.03429	19.2
57.07073	51.6
67.05493	20.2
67.62460	7.7
69.07068	15.8
69.84480	9.6
69.84825	24.6
71.08616	41.9
79.05509	19.1
81.03410	96.6
81.07044	31.8
83.08607	35.6
85.10175	34.6
85.54075	8.5
89.06025	22.7
93.07041	13.9
95.04997	19.1
95.08578	39.4
97.10139	13.3
105.07011	19.2
107.08587	13.5
111.08058	8.6
119.08541	13.4
121.10132	17.8
129.06993	14.4
147.11719	12.9
175.11191	15.4
193.12231	32.0
267.15891	100.0
313.27347	86.2
505.38779	57.4
608.59399	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	591.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22985	1.3
53.03923	2.7
55.05507	14.4
57.03426	3.5
57.07072	5.6
59.05009	2.0
67.05511	12.2
68.99741	1.2
69.03418	9.4
69.07059	100.0
70.06588	2.4
71.04984	2.2
71.08611	2.0
71.45359	1.6
73.02930	1.6
77.29898	1.2
79.05473	7.5
81.03410	5.3
81.07047	44.1
83.04948	3.2
83.08622	8.1
85.02881	11.7
85.06538	5.7
87.00835	5.5
91.05477	4.9
93.07028	10.5
95.04967	4.9
95.08599	27.1
97.02895	4.8
97.06512	6.3
97.10169	3.0
99.04433	2.1
99.08078	4.9
99.82552	1.3
101.06061	2.0
105.01855	1.7
105.03371	12.4
105.07037	7.9
106.03726	3.6
107.08590	9.7
109.02846	3.9
109.06523	2.0
109.10148	20.3
111.08064	2.4
111.11707	22.5
113.09649	1.6
119.08569	5.9
121.06504	1.8
121.10136	11.2
123.08096	3.8
123.11703	21.9
125.09595	1.5
125.19779	1.4
127.03889	7.0
127.11199	5.1
129.07001	1.7
129.12733	1.6
133.10045	2.9
135.11696	6.2
137.09634	2.2
137.13240	3.0
139.11160	27.7
143.08528	2.0
145.10133	2.1
147.11719	3.5
149.13289	4.2
151.14806	4.6
153.12820	1.7
155.10622	1.5
157.12273	4.9
159.02985	1.5
159.11700	3.4
161.13266	3.3
163.11162	1.7
163.14818	1.8
165.12756	2.3
166.04993	1.8
167.14371	1.9
173.13312	3.2
175.14917	1.4
179.14345	3.9
181.15541	1.7
237.18579	2.5
277.25269	2.2
287.05457	2.5
289.25226	6.5
295.26270	25.3
307.22708	2.7
307.26254	49.7
308.26733	1.9
325.27307	12.1
334.82001	1.5
433.29443	1.7
541.25598	3.7
547.28662	4.0
591.29059	57.6
592.28693	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03922	4.3
55.01863	14.7
55.05504	23.7
57.03429	8.3
57.07061	1.1
57.33438	0.9
59.04989	2.3
60.53957	1.0
63.63578	1.1
65.03909	2.9
67.05496	31.3
67.05859	1.8
68.05830	1.1
69.03407	3.6
69.07058	9.2
71.04984	5.1
79.05482	58.2
81.03412	11.0
81.07043	100.0
81.21438	1.1
82.07355	1.7
83.01336	4.3
83.04976	17.5
83.08605	15.0
85.02914	7.5
85.06515	1.9
87.45496	1.2
87.60378	1.0
91.05470	31.3
91.06048	1.5
93.07029	32.3
95.04957	22.2
95.08591	16.5
97.02866	1.6
97.06522	5.8
97.10143	8.2
97.41309	1.0
99.04430	2.9
99.08092	1.4
103.05499	1.7
105.03357	1.9
105.04515	2.3
105.07009	23.3
107.04945	12.7
107.08568	20.0
109.06502	40.4
109.10124	6.3
111.04428	11.9
111.08076	4.2
115.05424	2.5
117.07000	19.4
119.04876	2.4
119.08560	30.7
121.06488	13.2
121.10130	13.4
123.08055	8.8
123.11663	2.1
125.05971	2.2
125.09601	8.7
128.06175	1.9
129.06992	9.2
130.07747	1.1
131.04883	1.4
131.08536	13.0
133.06450	3.9
133.10114	7.5
135.04375	1.3
135.08038	7.5
135.11673	9.8
137.09569	2.8
143.08578	6.7
145.06458	2.2
145.10104	22.7
147.07988	13.1
147.11601	5.9
149.09563	5.4
151.11128	1.8
153.09201	1.9
153.12712	5.2
155.08531	1.9
157.10106	4.7
159.08054	2.6
159.11661	3.9
161.09583	10.6
163.11145	19.6
165.09114	4.8
165.12854	1.7
169.59798	1.1
171.11665	1.5
173.09590	4.0
175.11206	2.1
181.12257	3.9
183.10056	1.2
185.13242	1.9
189.09454	0.9
189.11198	5.9
189.12662	1.3
190.16956	1.0
191.10640	3.2
193.12196	3.2
195.11687	1.2
209.11690	5.5
211.13200	1.2
223.13249	4.9
225.11197	1.4
227.12694	5.9
227.17844	2.0
228.13216	1.3
245.18941	2.9
249.14787	6.0
255.17360	3.5
265.14304	1.8
267.15955	1.4
273.18472	30.4
275.20007	3.3
283.15375	39.8
284.15836	1.3
289.18048	2.7
291.19504	97.4
292.19934	3.1
307.19070	1.3
347.22131	6.3
365.23193	10.6
509.26892	1.3
555.32727	3.5
573.34155	23.9
574.34326	1.3
591.36011	6.7
609.29193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01871	22.2
55.05501	44.1
57.03430	10.2
59.04987	2.3
65.03938	6.7
65.30257	2.6
67.05492	64.6
67.57415	2.3
69.03429	5.6
69.07061	24.9
69.46386	2.4
71.04995	9.3
79.05479	70.8
80.43999	2.5
81.03412	27.0
81.07045	100.0
83.01341	4.9
83.04975	34.7
83.08596	24.0
85.02908	13.5
85.06551	2.6
91.05474	51.1
93.07034	48.7
95.04961	45.6
95.08591	26.5
97.06525	16.9
97.10156	22.2
99.04427	5.5
99.75199	2.3
105.03381	2.7
105.04502	3.1
105.07011	32.7
105.52843	2.5
107.04956	23.2
107.08570	35.4
109.06482	17.5
109.10135	13.5
111.04421	28.4
111.08069	17.1
117.07005	19.8
119.08572	29.5
121.06493	17.3
121.10121	27.1
123.08034	31.4
125.09629	20.7
128.06192	3.6
129.07005	8.9
130.07767	3.4
131.08569	15.8
133.06528	5.8
133.10136	14.0
135.08060	14.5
135.11667	19.9
137.09627	7.3
143.08577	7.6
145.06502	6.3
145.10107	38.0
147.08044	10.8
147.11668	10.6
149.09608	6.4
153.09048	3.5
153.12727	13.9
155.08571	4.7
157.10109	6.4
158.14235	3.0
159.08057	4.2
159.11665	3.7
161.09610	15.1
163.07466	3.4
163.11160	42.2
165.09094	7.1
170.59084	2.4
173.09662	11.2
175.11221	6.4
177.12694	4.8
178.99995	2.8
179.10706	2.6
181.12161	15.4
187.11278	2.5
189.11192	21.0
191.10573	15.2
193.12253	14.9
201.12622	2.8
209.11729	8.9
211.13272	10.1
223.13118	6.4
227.12726	23.9
265.14285	6.4
267.15683	3.3
273.18478	40.6
275.20059	3.1
283.15332	35.7
289.18182	5.1
291.19473	56.7
329.20953	4.2
347.22107	9.6
365.23132	13.7
481.29575	4.6
510.37253	3.2
555.33264	8.8
573.34155	21.3
591.35919	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	592.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02364	0.3
52.89166	0.2
53.03939	0.9
53.30602	0.2
55.01864	0.3
56.26123	0.2
57.03432	0.4
58.06585	0.3
64.69497	0.2
64.84408	0.2
65.03932	0.4
67.05486	0.3
69.03412	0.3
69.13022	1.0
69.13428	0.5
70.06576	0.7
73.02912	0.7
74.06067	0.6
75.04474	0.5
77.03919	1.1
77.08110	0.2
77.73016	0.2
79.05492	0.7
81.03408	0.8
82.06549	0.7
82.53952	0.2
83.04975	0.3
85.02892	1.3
87.04445	0.3
91.05472	1.4
93.03410	0.4
94.06579	1.1
95.04955	4.5
96.08096	0.3
97.02326	0.2
97.02870	1.0
98.06036	0.5
98.22676	0.4
100.07612	0.3
103.03928	0.4
103.05468	0.5
105.03377	25.4
105.04518	1.6
105.06990	0.9
106.03713	0.5
107.04928	0.4
107.07327	0.8
108.08116	1.1
109.02877	0.5
109.06519	0.4
110.06036	0.5
111.04446	0.8
114.09151	0.2
115.03902	0.5
115.05466	0.6
117.07018	0.9
119.04927	0.5
119.08598	0.4
120.08150	0.3
121.02865	0.9
121.06473	0.4
122.06028	0.5
123.04424	0.7
124.07632	0.3
125.02342	0.9
125.05991	0.9
126.09168	0.2
128.06236	1.1
129.06987	3.9
131.07355	0.5
131.08569	1.8
132.08066	0.5
133.06454	0.3
135.08089	0.3
137.05952	0.3
137.23146	0.2
138.09132	0.6
139.03902	0.9
141.06967	1.4
142.07803	0.3
143.07491	0.2
143.08507	1.0
144.05705	0.4
144.08047	1.1
145.06490	1.0
145.08865	1.1
145.10027	0.2
146.09605	2.5
147.08044	0.5
148.11133	0.3
149.02347	0.6
153.01797	0.4
153.05479	0.6
153.06987	0.6
154.07721	0.4
155.04918	0.6
155.06050	0.3
155.08470	1.3
157.06458	0.7
157.08842	0.6
157.10077	0.4
158.07301	0.3
158.09659	0.8
159.08026	1.0
160.07576	0.3
160.11203	0.6
161.05933	0.3
161.09612	0.9
162.09129	0.5
165.01906	0.2
165.07010	0.7
166.07846	0.3
167.08585	0.7
168.10202	1.4
169.06506	0.8
170.09610	1.8
171.04379	0.2
171.07947	0.9
171.10423	0.7
172.07584	0.2
172.11201	1.6
173.05984	0.2
173.09549	0.3
174.09149	0.4
175.07535	0.4
176.10623	0.3
178.07701	1.0
179.08496	1.5
181.06493	0.4
181.08817	0.3
181.10223	0.4
182.07150	0.3
182.09656	0.5
183.08083	0.5
184.11281	0.3
185.06015	0.4
185.09581	0.7
186.09178	0.6
187.07532	0.4
187.09926	0.3
188.10698	1.0
189.07004	0.2
189.09192	0.3
190.07726	0.3
191.08559	0.7
192.09325	0.2
193.10072	1.2
194.07272	0.2
195.08064	1.0
195.10318	0.3
196.11172	0.5
197.09691	0.6
197.11777	0.3
198.09166	0.6
199.07735	0.3
200.10710	0.3
202.07858	0.2
202.12273	1.4
203.08600	0.7
205.10106	0.6
207.08073	1.1
207.11900	0.2
208.08925	0.2
209.09598	1.0
211.07532	0.3
212.10715	0.7
213.05507	0.2
213.09178	0.3
214.12270	0.5
216.10072	0.3
219.08112	0.8
220.08833	0.3
220.11247	0.2
221.05888	0.2
221.09633	0.9
222.10506	0.3
222.12671	0.2
223.11125	0.2
224.08490	0.2
224.10760	0.3
225.09067	0.7
226.12299	0.8
228.10201	0.6
230.11971	0.3
231.08109	0.5
232.11255	0.2
233.09694	0.6
234.12946	0.3
235.07466	0.3
235.11186	0.3
236.10663	0.2
237.09142	0.5
239.10692	0.6
240.13847	0.5
249.09172	0.5
250.12202	0.3
251.10707	0.3
254.11998	0.2
255.10194	0.2
263.10748	0.3
263.13135	0.2
265.12329	0.3
266.11752	0.3
267.10367	0.2
268.13318	0.3
277.08524	0.3
279.10223	0.3
281.11746	0.3
287.05447	11.1
292.13336	0.6
299.12750	0.3
309.11176	0.2
310.25067	0.3
316.15195	0.2
320.12943	0.2
326.13956	0.2
326.24493	0.2
329.07300	0.2
344.15262	0.4
352.15396	0.3
356.14990	0.2
359.14767	0.3
362.15836	1.1
370.16516	1.3
388.17581	0.8
394.18481	0.4
402.19196	0.4
406.18546	1.9
420.20111	3.1
438.21008	2.2
452.22818	0.5
461.10641	0.7
470.23923	0.8
492.20459	0.4
510.21024	0.4
542.23749	6.2
543.24274	0.3
560.25049	1.7
574.26550	1.1
592.27411	100.0
593.28033	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	592.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02381	0.7
53.03948	0.4
54.21111	0.3
55.01879	0.5
57.65014	0.4
58.06592	1.1
65.03933	0.4
67.04889	0.4
67.05500	0.4
69.03418	0.4
69.26797	2.1
70.06587	1.4
74.06051	0.9
74.88754	0.4
75.04473	1.1
76.45657	0.3
77.03931	1.1
79.05486	1.2
80.59000	0.4
81.03427	0.5
82.06590	0.5
85.02906	1.5
88.07631	0.7
91.05476	1.2
93.03407	0.6
93.07059	0.6
94.06581	1.3
95.04967	5.7
97.02892	1.2
105.03381	28.1
105.04520	1.4
105.07062	0.6
106.03726	0.8
107.04946	0.4
108.08144	0.8
109.02927	0.5
109.06516	0.6
111.04452	0.6
115.05471	1.7
117.07001	1.2
119.08557	0.8
120.08080	0.5
121.02879	1.1
123.04405	1.0
124.07643	0.5
125.02328	0.6
125.05972	0.9
128.06232	1.5
129.06984	3.1
131.07405	0.4
131.08585	2.0
132.08121	0.6
133.06454	0.5
136.07622	0.5
137.06087	0.6
137.96098	0.5
138.09160	1.3
139.03891	1.1
141.07002	1.4
143.08563	1.2
144.08055	1.2
145.02838	0.6
145.06509	1.0
145.08847	0.5
146.09642	1.6
147.04402	0.6
153.05470	0.6
153.07019	0.8
154.08650	0.4
155.08588	0.8
157.06479	1.1
158.09674	0.9
159.08086	1.4
160.11147	0.6
161.09581	0.6
162.09146	0.7
164.10724	0.6
167.08627	0.9
169.06505	0.7
170.09682	1.9
171.08104	0.9
171.10417	0.8
172.11249	1.0
173.06015	0.5
173.09677	1.0
176.10612	0.4
177.05385	0.6
178.07719	0.5
179.08595	1.1
181.06506	0.5
181.10199	0.6
182.09648	0.5
183.08055	0.7
184.07544	0.4
184.11301	0.4
185.09581	0.5
186.09119	0.7
186.70280	0.4
188.10823	1.2
193.10126	0.9
195.08075	0.6
198.09192	0.7
200.10651	0.6
202.07823	0.7
202.12360	0.4
203.08627	0.9
205.10139	0.6
207.07994	0.9
209.09734	0.4
212.10721	0.5
214.12299	0.7
218.11674	0.5
219.08080	0.7
221.09610	1.1
224.10823	0.4
225.09045	0.6
231.08043	0.7
235.07550	0.5
235.89439	0.4
236.10783	0.5
239.10893	0.6
244.13448	0.6
246.14938	0.7
248.10684	0.5
250.12399	0.6
254.11752	0.9
274.12372	0.6
287.05487	2.9
321.81302	0.5
335.10355	0.4
342.22891	0.5
352.15622	0.4
438.21225	1.4
484.19531	2.3
492.20306	0.8
498.20892	0.4
506.21991	0.6
524.22620	2.7
528.22119	0.7
542.23792	2.4
556.25354	5.3
557.25299	0.7
560.24738	1.0
574.26312	4.3
592.27460	100.0
593.18921	0.7
593.27887	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	592.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06582	0.4
58.85885	0.3
59.25484	0.4
65.03918	0.5
67.05494	0.8
70.06584	0.8
74.06065	0.6
79.05475	0.9
80.10435	0.4
81.03400	0.5
82.06577	0.7
82.83732	0.3
85.02896	1.3
88.25900	0.3
91.05474	1.6
94.06557	1.7
95.04949	2.0
96.08140	0.3
97.02887	1.4
100.07663	0.5
105.03384	3.1
105.04469	0.5
105.07037	1.2
108.08128	1.1
109.02876	0.7
109.06523	0.5
111.04439	1.0
115.05423	1.2
117.06983	1.7
119.04894	0.7
121.02861	1.7
122.06039	0.4
123.04425	1.2
124.07580	1.6
125.02366	1.2
125.05973	0.7
125.84089	0.3
128.06197	1.1
129.06984	4.0
131.04813	0.3
131.07349	0.6
131.08565	2.2
132.08118	0.8
133.06483	0.6
137.06015	0.5
139.03903	0.9
141.06984	2.1
141.21301	0.4
143.08557	1.5
144.08072	0.6
145.06476	1.0
145.08862	0.6
146.09654	1.7
147.04385	0.4
147.08038	0.4
149.02341	0.7
153.05460	0.8
153.06973	0.6
155.04918	0.4
155.08545	1.1
157.06503	0.9
157.08810	0.4
158.09625	2.2
159.08041	1.3
160.11221	1.0
161.08324	0.4
165.07002	0.8
166.07742	0.5
167.08554	1.1
169.06467	0.9
170.09627	0.6
171.08084	1.4
172.11252	1.0
173.06006	0.4
178.07755	1.0
179.08583	1.5
181.06471	0.5
181.10188	0.6
182.09564	0.4
183.08067	0.6
185.05995	0.7
185.09560	0.6
186.09117	0.5
187.07558	0.5
188.10710	1.3
190.07648	0.6
190.12242	0.6
191.08595	1.2
193.10172	1.0
195.08032	1.0
195.32925	0.3
197.09621	0.8
199.07442	0.4
200.10728	0.7
203.08534	0.7
205.10162	0.7
206.07228	0.5
207.08093	1.2
209.09601	1.2
211.07579	0.5
214.12302	0.8
215.08624	0.5
219.08063	0.7
220.13463	0.5
221.09654	1.5
224.10713	0.5
225.09048	0.6
226.12341	0.4
231.08083	0.7
232.13245	0.8
233.09586	0.6
235.11105	0.4
237.09093	0.6
238.12180	0.5
239.10620	0.6
241.08728	0.5
249.09167	1.2
250.12292	0.4
261.09097	0.4
296.12970	0.4
326.13696	0.4
338.13831	0.5
362.16113	0.6
370.16467	1.2
388.17624	1.1
406.18527	4.4
408.20178	0.6
420.20126	1.4
426.49200	0.4
438.21191	14.7
439.21472	0.7
440.22501	0.8
452.23111	0.8
470.24030	3.2
542.23346	0.4
560.24335	0.6
592.27429	100.0
593.27997	4.9
596.66595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46475	0.5
58.06578	0.6
60.04503	0.5
61.45412	0.5
61.75094	0.5
69.25024	3.0
70.06590	1.0
74.06066	1.4
77.03914	0.9
78.44515	0.5
79.05470	0.8
87.92821	0.6
91.05472	2.2
93.06997	1.0
93.17976	0.6
94.06564	2.2
95.04950	4.5
105.02670	1.3
105.03381	24.4
105.04517	1.4
105.07005	3.8
108.08113	0.8
110.06049	0.6
117.06998	0.9
119.04866	0.6
119.08567	1.0
128.06213	0.8
131.07289	0.6
131.08585	1.6
132.08113	1.5
133.10129	0.6
134.09618	0.6
141.06929	0.8
143.08571	1.6
145.06497	0.6
145.08876	0.6
145.10040	0.8
146.09647	1.3
148.11264	0.7
151.55202	0.5
152.63307	0.5
155.08557	1.7
157.08878	2.2
157.10077	1.3
158.09631	8.4
160.11211	1.5
162.09120	0.7
165.06990	1.5
167.08502	1.1
169.10117	1.4
171.10345	0.6
174.09171	1.9
176.10745	0.8
178.07803	1.4
179.08514	1.6
180.09251	1.0
181.10141	2.5
182.09747	0.6
183.08014	0.5
183.11694	0.6
190.12373	0.8
191.08537	0.7
192.09334	1.3
193.10127	2.1
195.07924	0.6
195.11748	2.5
195.62764	0.6
202.12363	0.5
203.08693	0.6
204.09317	0.7
205.10138	1.4
206.10921	1.5
207.11676	0.7
209.13268	1.2
211.14787	0.6
215.08670	0.6
219.11716	1.6
221.13274	1.1
223.11276	0.6
223.14510	0.7
230.10847	0.9
233.13252	1.0
235.14763	1.6
237.16512	0.7
238.12131	0.6
250.15990	0.7
254.15355	0.7
260.14417	0.6
263.14151	0.9
266.15475	1.1
276.17493	2.3
278.15292	0.6
294.18451	3.8
312.19720	1.1
322.17935	4.8
340.19138	2.1
354.20682	1.2
364.19174	1.1
382.20096	7.8
416.22211	0.8
446.70706	0.5
470.25446	2.0
476.24173	5.1
504.23761	18.0
592.28949	100.0
593.29333	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	593.1492
Annotation	Luteolin 7-(3'''-acetylapiosyl-(1->2)-xyloside)
Peak:m/z	Relative Intensity
52.53525	0.2
53.03927	0.3
54.19844	0.3
56.45452	0.2
57.03423	2.0
58.06566	0.4
61.02914	0.6
68.99789	0.6
69.03416	8.2
73.02905	4.1
74.71410	0.3
85.02881	1.4
87.04472	0.2
95.04951	0.8
97.02248	0.5
97.02877	10.5
105.03392	2.7
105.07008	0.4
106.03716	0.6
108.27734	0.3
109.02849	0.5
111.00754	0.8
115.03916	7.8
121.02842	2.0
127.03896	0.4
129.06963	0.5
132.55099	0.3
133.02824	0.3
137.02286	0.5
145.06364	0.3
147.04332	0.5
153.01787	2.9
154.49606	0.3
157.04951	3.7
157.06316	0.5
165.01741	1.3
175.06023	1.0
183.02869	0.7
185.05861	0.4
213.05461	1.3
215.92758	0.3
231.06429	0.9
241.04929	0.9
258.05261	1.0
259.06223	0.4
287.05441	100.0
288.05746	2.6
299.05548	0.5
365.06485	0.2
377.90436	0.3
419.09677	3.5
461.10626	1.9
470.23413	0.4
543.24371	0.3
592.27362	2.6
593.13354	0.3
593.28284	4.7
617.77344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1491
Annotation	Luteolin 7-(3'''-acetylapiosyl-(1->2)-xyloside)
Peak:m/z	Relative Intensity
50.93477	0.9
53.03900	3.3
55.01860	7.5
57.03395	2.8
61.02895	2.0
67.53442	0.9
69.03416	24.9
69.23541	1.6
69.23944	3.6
72.34411	0.7
73.02896	8.8
77.03863	1.0
79.05466	0.8
81.03429	0.8
85.02893	11.4
87.04456	1.6
91.05431	1.0
95.04920	3.3
97.02877	77.7
98.03184	1.0
98.22709	1.7
105.03375	15.1
105.04448	1.3
106.03661	2.5
115.03911	64.9
116.04206	0.9
117.06962	1.1
121.02886	3.6
121.06478	1.6
127.03859	1.7
128.06161	1.4
129.06961	1.8
131.08505	0.8
144.07957	0.9
145.06377	0.9
146.09602	1.2
147.04330	0.9
153.01756	3.3
157.04938	92.3
159.09908	0.8
165.01772	1.6
170.09575	1.2
175.06001	26.7
179.08409	1.0
182.89841	0.8
187.09802	0.8
192.80132	0.7
203.08638	0.9
241.04640	1.2
258.05099	1.3
281.95792	0.8
283.05969	0.9
287.05447	100.0
288.05759	2.0
299.05219	1.1
311.05530	3.6
329.06567	3.8
353.06464	1.2
371.07761	2.2
419.09601	9.8
421.20468	2.3
439.21768	1.0
461.10696	3.2
480.81393	1.0
542.23956	1.0
543.24146	2.3
560.25604	1.0
592.27411	25.1
593.27765	53.8
594.26636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.275
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
58.86884	1.5
63.58554	1.5
76.90107	1.6
80.17223	1.5
90.45572	1.4
101.45695	1.7
101.49168	1.4
109.10040	1.7
162.04871	1.6
229.25667	1.7
284.69781	1.6
389.17621	1.5
403.19177	3.5
417.20990	3.6
419.22397	4.2
431.18268	8.7
432.18845	3.4
433.23837	6.0
445.19836	10.9
446.20660	3.8
447.21640	4.2
459.21439	2.1
460.22449	8.5
461.23062	10.8
505.22562	5.5
533.25305	20.7
534.25348	2.2
593.27478	100.0
594.27795	6.7
617.04065	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.2
53.03944	4.0
55.01856	0.9
57.03409	1.6
58.06577	1.1
61.02911	2.2
66.34045	0.6
69.03421	8.6
69.19868	3.5
71.04961	0.6
71.94434	0.5
73.02898	2.2
77.03923	2.2
79.05468	1.3
81.03409	8.3
83.78771	0.5
85.02401	1.0
85.02896	15.0
87.04440	1.0
91.05469	6.6
93.07040	9.2
95.04962	9.2
97.02879	6.4
99.04442	1.3
101.02357	0.7
103.05460	8.7
105.03382	68.4
105.04395	4.3
106.03716	1.0
109.02866	5.3
121.06490	100.0
122.06871	1.3
123.04411	3.7
127.03907	5.7
145.02852	1.2
145.04961	2.6
165.08841	0.5
166.12256	28.3
175.45895	0.5
177.05470	2.5
204.76514	0.6
231.06612	0.8
249.07552	8.4
267.08536	5.5
274.24594	0.6
403.06091	0.6
432.20099	7.3
594.25366	52.5
595.25610	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.363
Annotation	Glaucacyclopeptide A
Peak:m/z	Relative Intensity
55.01878	0.7
55.05511	0.7
56.05041	0.7
57.07051	1.1
58.06597	4.1
59.04968	0.8
67.05489	1.3
69.03421	1.3
71.04984	1.4
71.45106	0.7
72.08152	3.1
75.04466	3.7
79.05461	1.2
81.03420	1.0
81.07036	1.4
85.02890	1.3
85.06540	0.7
88.07584	0.6
91.05479	2.7
93.07064	1.3
95.04964	1.6
95.08584	1.0
97.02892	1.0
97.10254	0.7
101.06024	0.7
103.05473	1.5
103.78752	0.6
105.03379	2.8
105.07026	2.3
107.08611	1.0
108.08125	1.5
109.06540	1.9
109.10149	0.6
111.08102	1.6
115.05424	1.0
117.07015	1.5
119.08559	1.1
120.08053	0.7
121.06487	3.8
122.09593	0.8
127.03973	1.0
129.06996	2.1
131.08575	1.7
131.63948	0.7
133.04950	0.8
133.06500	1.3
133.10141	0.7
135.08060	2.1
139.44273	0.7
141.06990	1.9
143.08528	0.7
145.04904	0.7
147.08095	1.3
152.10748	1.4
153.06993	1.0
155.08565	2.2
158.09648	1.2
159.08020	0.9
161.09641	0.8
163.07381	0.9
165.06967	0.8
166.12265	0.8
167.08588	1.1
171.08008	0.7
174.09193	0.7
177.09041	0.7
178.07881	0.9
178.12242	0.8
179.08617	2.0
184.11226	0.9
185.09650	0.9
191.08481	1.1
202.07834	0.9
203.08534	1.9
204.09361	1.4
205.10199	1.5
215.08607	0.9
216.09302	0.8
217.10037	1.5
219.11757	1.4
229.10100	1.7
231.11668	0.8
233.13231	0.8
235.11128	1.4
247.11232	0.7
249.12762	1.2
261.12802	1.3
263.14392	0.9
286.15921	0.9
318.18661	1.1
336.19647	1.4
350.20810	0.8
354.20868	0.8
378.20758	0.7
384.21509	1.2
386.23462	0.7
396.21753	1.6
410.23322	1.8
416.24582	1.8
428.24167	4.4
442.25815	7.6
460.26901	11.5
470.25433	3.8
474.28476	1.3
492.29477	28.3
493.30447	1.3
594.36334	100.0
595.36414	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	595.165
Annotation	Kaempferol 3-rhamnoside-7-glucoside
Peak:m/z	Relative Intensity
50.43681	1.9
57.03430	4.0
61.88964	2.3
67.73875	3.1
69.25361	13.5
81.03416	3.2
85.02888	9.8
89.05997	5.3
91.05492	2.9
93.03369	2.3
97.02881	3.1
98.23435	5.6
105.03376	18.3
106.03668	2.9
107.04934	3.2
109.02898	2.3
119.04939	7.7
121.02848	36.5
121.06467	21.3
122.06808	5.7
131.04877	4.0
133.08441	2.6
133.16824	2.4
145.02826	6.5
161.02330	2.4
163.03990	3.7
164.07054	2.7
166.12283	4.9
167.12663	3.1
175.03801	3.0
177.01765	4.5
177.05432	6.0
179.03297	2.8
189.01784	10.0
191.03383	6.5
195.02846	6.2
201.01773	2.7
201.05402	3.7
203.03371	8.4
207.02936	6.5
217.04958	4.5
219.02863	6.5
227.03368	2.8
229.05035	3.9
233.04317	3.2
243.02943	3.1
255.02934	3.8
268.07300	3.8
279.06461	6.8
280.07263	4.2
281.07965	5.6
283.06015	10.8
294.05197	20.8
295.05972	80.3
296.06708	8.5
297.07556	9.6
307.05969	47.2
308.06836	13.0
309.07556	16.1
313.06833	6.0
319.05951	4.8
320.06680	4.4
321.07465	26.9
322.08221	10.6
323.09164	4.7
325.06998	92.3
333.07645	10.3
335.09128	12.4
337.06998	62.1
338.07327	3.2
345.07529	3.1
347.09161	11.3
349.07089	26.9
351.08548	24.8
355.07950	20.0
359.71912	2.9
361.07004	16.2
361.10919	4.3
363.08490	6.5
365.10315	13.3
367.08145	3.6
373.07043	3.7
375.08463	11.1
379.08081	50.4
385.06812	3.9
387.08560	2.9
391.08060	24.1
403.08047	20.1
409.09094	48.9
415.08563	2.7
417.10080	3.4
421.09091	27.1
427.10132	41.9
439.10114	29.9
445.10440	7.4
457.11258	100.0
458.11420	3.7
463.10013	7.2
475.12167	19.4
481.11212	27.9
487.10312	2.8
493.11533	4.7
499.12308	22.5
505.11011	8.2
511.12189	21.5
523.12219	24.3
529.13190	10.8
541.13275	30.6
559.14423	21.3
570.47089	3.2
570.56189	2.7
577.15155	9.8
595.25665	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	595.1651
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03934	0.5
53.89141	0.2
55.01861	0.4
57.03414	0.7
58.06586	0.2
61.02921	0.9
65.80415	0.2
68.99789	0.5
69.03420	2.6
69.13760	0.3
69.14156	0.7
71.04970	0.6
73.02883	0.3
77.03912	0.4
77.68385	0.2
79.05470	0.3
81.03404	1.5
85.02889	6.1
85.03407	0.3
87.04457	0.2
91.03934	0.4
91.05457	0.2
93.07024	0.6
95.04935	0.7
97.02869	2.1
98.23472	0.4
99.04448	0.4
103.05453	0.4
105.03375	3.9
105.04459	0.3
106.03713	0.7
107.04940	0.2
109.02867	0.7
109.93365	0.2
111.00764	0.5
121.02842	2.2
121.06491	5.2
122.06797	1.0
123.04417	0.3
127.03873	1.5
129.05421	0.3
133.02820	0.4
137.02310	0.6
145.04962	1.0
145.06531	0.2
147.04376	0.5
153.01801	2.9
157.06502	0.2
157.10103	0.2
165.01794	1.6
166.12248	1.6
167.12575	0.8
169.06512	0.2
183.02899	0.8
185.05928	0.5
197.05904	0.2
213.05469	1.1
220.71118	0.2
231.06465	0.6
241.04936	0.9
249.07535	0.5
258.05206	1.0
259.06033	0.4
267.08548	0.3
269.04407	0.2
283.05917	0.4
287.05444	100.0
288.05801	2.5
299.27399	0.2
313.07074	0.4
328.26346	0.2
337.06934	0.3
432.19968	0.3
433.11246	4.2
433.20358	0.3
434.11340	0.2
594.25494	0.5
595.16907	0.2
595.25537	3.5
595.33948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Multifloein B
Peak:m/z	Relative Intensity
51.02358	0.2
52.53832	0.1
53.03912	0.5
55.01837	0.5
55.02072	0.1
57.03438	0.7
58.06564	0.4
61.02929	1.0
68.99786	0.3
69.03422	2.5
69.30878	0.5
71.04973	0.7
73.02883	0.4
77.03904	0.1
79.05451	0.4
81.03405	1.6
85.02893	6.7
86.03191	0.2
87.04433	0.4
89.14577	0.1
91.03917	0.3
91.05430	0.5
93.07056	0.6
94.07376	0.1
95.04958	0.7
95.36003	0.1
96.05244	0.1
97.02339	0.2
97.02881	2.3
98.22683	0.3
99.04408	0.5
103.05427	0.6
105.02674	0.3
105.03378	5.0
105.04465	0.4
106.03725	0.9
107.04935	0.2
109.02857	1.3
111.00786	0.6
119.08443	0.1
121.02855	2.2
121.03815	0.2
121.06487	6.7
122.06820	1.7
123.04410	0.3
127.03896	1.2
128.04179	0.2
129.05466	0.3
133.02791	0.4
135.04286	0.1
137.02319	0.7
145.04936	0.9
147.04352	0.5
147.05424	0.1
153.01793	2.8
157.06442	0.3
159.60249	0.1
161.05922	0.2
165.01822	1.7
166.12247	1.9
167.12585	0.9
183.02879	0.8
185.05881	0.3
197.05887	0.2
199.03841	0.1
203.03358	0.2
208.96013	0.1
213.05415	1.4
225.30132	0.1
231.06525	0.7
240.76161	0.1
241.04848	0.8
249.07567	0.4
250.07951	0.3
258.05252	0.8
259.06107	0.3
267.06265	0.3
267.08862	0.3
268.08823	0.1
269.04364	0.2
271.05951	0.4
281.07962	0.2
283.05927	1.9
284.06747	0.4
286.04645	0.1
287.05444	100.0
288.05795	2.7
295.06067	0.4
309.07584	0.5
313.07016	2.5
313.10385	0.3
323.08957	0.2
328.26218	0.5
329.26718	0.3
337.06949	0.9
349.06921	0.1
361.07068	0.2
367.08102	0.5
379.08029	0.5
397.09180	0.4
408.98001	0.1
415.10059	0.7
424.01743	0.1
432.20193	0.3
433.11246	3.8
433.20508	0.4
434.11169	0.2
594.24792	1.0
595.25598	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	595.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.0
57.03429	6.4
67.05499	42.3
69.07060	11.1
70.50231	4.3
76.72305	2.7
79.05494	26.2
81.03417	17.5
81.07047	32.1
83.04956	2.9
83.08604	5.2
85.02909	2.7
91.05460	16.2
93.07034	28.2
95.04944	8.6
95.08602	24.3
96.42965	2.6
97.06516	4.0
97.10180	4.2
98.98454	23.1
105.06998	12.3
107.08592	16.6
109.02872	9.6
109.10139	12.5
117.06999	3.7
118.42316	3.3
119.08566	9.9
121.10109	15.0
123.11675	3.8
124.97555	2.7
131.08551	7.2
133.10127	8.7
135.11694	4.7
145.10101	4.7
147.11644	4.1
149.13202	3.5
157.10059	3.4
159.11650	4.9
163.11134	3.0
163.14807	4.1
173.13187	3.7
261.03690	7.3
310.16486	3.3
335.07407	3.6
335.25784	100.0
340.57431	2.7
404.29324	2.7
531.54724	3.5
595.37939	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	596.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
55.05508	8.3
57.03432	2.1
61.02913	1.7
65.03912	1.0
67.05505	8.5
67.21119	0.9
69.03409	1.8
69.07048	4.7
70.17089	1.4
70.17415	1.1
71.04983	1.7
79.05479	13.8
81.03394	2.6
81.07048	13.1
83.04980	2.2
83.08624	4.3
85.02869	1.7
87.32195	0.8
90.40030	0.8
91.05465	10.7
93.07036	14.8
94.69250	1.1
95.04954	6.6
95.08595	5.7
97.02894	1.5
97.10154	3.9
98.22771	1.2
103.05460	1.1
105.03364	0.8
105.07010	6.8
107.04944	3.8
107.08571	10.5
109.06497	3.1
109.10133	2.6
111.08027	1.5
115.05467	1.6
117.06998	6.1
119.08575	6.4
121.06488	3.4
121.10121	1.8
123.04391	1.1
123.08056	2.8
125.09618	3.6
129.01048	2.4
129.06978	1.6
130.98973	1.1
131.08553	3.8
133.10141	3.9
135.08040	19.0
137.09595	3.2
137.75992	1.1
141.06935	1.2
142.07715	1.1
143.08542	1.9
145.06450	4.4
145.10097	1.9
147.08063	2.1
149.09610	2.5
153.04675	1.2
157.10136	1.8
159.08063	2.1
161.09604	1.9
163.07536	8.2
163.11165	1.7
171.05693	4.1
173.09613	1.7
173.13187	1.0
183.11652	1.6
189.11188	1.1
199.05193	2.7
203.89703	1.2
243.17494	2.2
271.16931	3.9
279.15085	1.1
289.17911	13.9
299.02374	1.0
325.15643	2.5
352.02365	1.0
363.21527	2.6
399.19263	100.0
400.19568	1.8
553.62036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
55.05510	7.3
57.03433	2.4
61.02917	2.2
62.18491	0.9
65.03918	1.6
67.05494	9.7
69.03418	2.8
69.07053	5.5
71.04964	1.6
79.05487	13.2
81.03383	1.6
81.07052	9.9
83.05003	2.3
83.08608	3.0
85.02915	2.0
91.05480	9.9
93.07038	12.3
95.04425	1.4
95.04951	6.7
95.08563	5.1
97.10166	4.7
105.06991	6.8
107.04958	2.7
107.08581	11.2
108.28487	0.9
109.06505	3.2
109.10155	2.2
117.07008	6.2
119.08555	6.4
121.06497	3.0
121.10130	2.0
123.08067	2.0
123.84348	1.0
125.09606	2.0
129.07008	1.9
130.98985	1.8
131.08580	3.7
133.10130	3.8
135.08040	15.8
137.09602	2.8
143.08597	1.4
145.06487	4.0
145.10109	2.6
147.08069	1.4
147.11665	1.3
149.09615	1.3
155.08543	1.1
157.10110	2.4
159.07982	1.8
159.11665	1.4
161.09587	4.4
163.07545	8.8
163.11182	1.4
169.10118	2.1
169.36305	1.1
171.05695	3.6
189.11218	1.7
199.05205	4.1
225.16409	1.6
235.94887	1.1
243.17534	2.5
261.22043	1.3
271.16956	3.4
279.15112	1.4
289.17938	16.4
307.14514	1.3
325.15649	3.2
363.21634	2.7
399.19275	100.0
400.19791	3.6
409.17117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	0.5
57.03384	0.4
58.06529	4.7
69.03387	0.4
72.08144	3.2
79.05430	0.9
81.03353	0.5
83.25319	0.4
84.08091	0.6
85.02834	0.9
87.59740	0.4
91.05423	1.0
93.06962	0.6
95.04891	0.6
97.02841	0.6
98.09631	0.8
105.03371	3.2
105.06937	1.2
107.04913	0.4
109.02823	0.4
109.06473	0.4
110.09563	1.4
119.08535	0.6
121.06420	1.3
122.09554	0.9
124.11108	0.8
127.03841	0.5
129.06921	0.4
131.08449	1.0
133.10060	0.5
133.31046	0.4
135.06674	0.4
143.08537	0.6
145.10028	0.4
150.09117	5.3
155.08516	0.4
157.09988	0.7
160.11148	0.5
167.08424	0.7
169.09955	0.4
177.05450	0.5
179.08536	0.4
183.11598	0.4
186.09106	0.5
204.10344	0.4
282.18546	1.0
303.05002	3.0
310.18045	0.5
310.21576	6.1
328.19058	8.9
328.22571	0.7
338.20929	0.8
356.22153	55.0
357.22525	2.3
370.23697	0.8
374.23187	19.7
375.23196	0.7
388.24686	0.5
416.24283	7.9
434.25327	100.0
435.25659	4.1
596.30658	40.7
597.30762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47671	2.0
51.88358	1.6
53.03937	2.5
53.04753	1.6
55.01870	2.3
55.05503	13.7
57.03422	3.6
57.07071	3.7
67.05494	58.8
69.07059	11.6
69.20303	10.6
71.04975	2.7
73.02905	2.0
77.39256	1.8
79.05482	43.2
81.03410	5.5
81.07047	70.0
83.04978	2.1
83.08620	7.3
85.02912	1.9
85.06551	1.8
91.05466	24.7
93.07034	53.5
93.07595	3.8
95.04969	4.5
95.08594	53.8
95.09206	3.2
97.02883	2.6
97.06551	2.4
97.10125	3.9
99.04444	2.2
99.08105	3.0
105.04499	2.7
105.07010	18.4
107.08578	32.9
109.02870	4.8
109.10138	27.8
110.03664	3.2
116.65415	1.8
117.06969	10.0
119.08582	18.1
121.10133	31.5
123.08083	2.2
123.11675	15.5
127.03932	2.4
131.08540	20.5
131.62405	1.9
133.10117	13.6
135.11687	26.7
136.57834	1.9
137.09663	2.0
137.13277	5.4
139.11174	2.5
145.10107	15.5
147.11684	11.6
149.13235	21.8
151.14798	2.4
152.83353	1.7
155.08527	1.6
159.11685	14.2
161.13234	11.6
163.11189	2.1
163.14780	16.0
171.11650	2.4
173.13235	16.3
175.14816	4.8
177.12737	4.2
177.16389	6.2
179.14221	2.0
181.47643	1.8
187.14793	6.7
191.00191	2.7
201.16362	3.0
215.17885	2.9
233.22577	2.3
243.21062	31.1
245.22470	2.0
261.22104	100.0
262.22461	2.8
263.23718	2.3
288.08609	1.9
301.20047	2.2
335.25754	14.6
335.38937	1.6
353.26822	29.8
423.10156	1.7
440.80569	1.9
488.50119	1.9
524.65918	2.0
561.26733	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46527	0.4
51.02855	0.4
55.01871	0.5
55.05510	0.7
56.05022	0.7
58.06594	7.5
67.05498	1.1
69.30293	2.2
71.04984	0.9
72.08131	2.1
76.81292	0.4
77.62225	0.4
79.05488	2.1
81.03408	0.6
81.07044	0.9
84.08134	0.5
84.12322	0.4
85.02887	0.7
89.96326	0.4
91.05476	4.5
93.07035	1.2
95.04960	1.5
96.08128	0.4
97.06506	0.6
98.09705	0.5
102.64505	0.5
103.05458	5.8
105.03381	1.0
105.07028	3.0
107.04942	0.5
107.08594	0.6
108.08108	4.0
109.02891	0.6
109.06488	0.8
110.09725	0.5
115.05466	0.8
117.06982	2.2
119.08585	1.0
121.06491	1.4
122.09649	2.0
124.11206	1.5
127.03947	0.6
128.06218	1.5
129.06990	2.4
131.04913	10.2
131.05885	0.7
131.08565	2.1
133.06514	1.0
133.10088	0.8
135.08049	1.4
138.09203	0.4
141.06990	2.3
143.08534	2.4
145.06412	0.9
145.10225	0.7
146.09663	0.6
147.08069	1.0
148.11220	0.9
151.07431	0.5
151.39282	0.4
152.10732	0.7
153.07040	0.8
154.07735	0.5
154.12215	2.7
155.08553	2.4
157.06413	0.5
157.10115	0.9
158.09633	0.8
159.08098	0.6
161.09576	0.7
164.10822	0.5
165.07018	1.8
166.07745	0.6
167.08519	2.2
169.10127	1.1
171.08054	1.2
172.11153	0.4
173.09639	0.6
176.49281	0.4
178.07803	1.5
179.08543	2.4
180.09346	0.7
181.10133	1.8
182.51050	0.5
183.08089	0.7
183.11737	0.6
188.10722	0.5
190.07843	0.6
191.08562	1.8
192.09328	0.6
193.10152	1.7
195.07942	0.7
195.11761	0.8
197.09645	0.6
199.11169	0.5
199.84102	0.4
201.09103	0.6
202.07784	0.4
203.08585	1.3
204.09383	0.7
205.10141	2.1
206.10907	0.5
207.11716	1.5
209.09561	0.6
210.12868	0.4
211.11279	0.5
215.08475	0.6
216.09341	0.6
219.11678	1.1
221.09792	0.4
221.13266	1.2
223.11143	1.1
231.11627	0.6
233.13255	1.0
237.12851	0.8
242.15428	0.9
249.12785	1.3
251.14374	0.7
261.12671	0.5
272.16302	0.6
278.19208	0.6
281.15234	0.5
292.16833	0.5
294.18723	0.5
306.18719	0.9
308.02972	0.8
311.07321	4.0
326.20969	0.4
338.17664	0.7
338.21191	1.5
342.20547	0.7
356.22266	0.6
366.20374	0.7
370.20096	3.6
370.24039	0.8
384.21481	0.6
398.23175	5.0
402.22717	1.8
412.24762	3.1
430.25836	32.9
431.26526	2.0
448.26898	21.3
449.27292	1.5
578.31323	0.8
596.32117	100.0
597.12354	3.0
597.32471	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	596.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
55.05527	0.3
56.05030	0.9
58.06592	6.7
67.05491	1.6
69.71091	1.0
71.04980	1.6
72.08137	3.0
79.05476	1.8
80.05012	0.5
81.03416	0.5
81.07037	1.0
82.06560	0.4
83.04935	0.3
84.08122	0.7
85.06557	0.4
90.99540	0.3
91.05459	4.6
93.07026	1.5
95.04969	1.3
96.08117	0.4
97.06497	0.4
98.09673	0.9
102.09145	0.4
103.05447	8.2
105.04533	0.3
105.07032	3.3
107.04962	1.1
107.15461	0.3
108.08101	3.8
109.06502	1.1
110.09675	0.3
115.05427	0.5
117.06981	2.8
119.04919	0.5
119.08569	1.2
121.06493	1.8
121.52161	0.3
122.09640	1.8
124.07574	0.3
124.11222	1.1
128.06232	1.4
129.06976	2.7
131.04907	9.1
131.08533	2.4
133.06487	1.0
133.10048	0.4
134.09659	0.6
135.08061	1.6
137.02364	0.5
138.09079	0.5
141.06978	3.0
143.08482	2.2
145.06461	0.9
145.10120	0.8
146.09653	0.7
147.08025	1.2
148.11137	0.5
152.10712	0.4
153.06972	0.9
154.07784	0.5
154.12248	2.9
155.08563	2.0
157.06561	0.4
157.10101	0.7
158.09671	0.8
159.08093	0.8
160.11211	0.9
161.09593	0.5
164.10777	0.7
165.06992	1.2
166.07747	1.0
167.08479	2.4
169.06470	0.4
169.10141	1.0
171.08102	0.7
172.11240	0.4
173.09561	0.8
176.10759	0.5
177.05486	0.3
178.07771	1.2
179.08508	2.3
180.09415	0.5
181.04955	0.5
181.08702	0.4
181.10078	1.9
183.08057	0.5
185.09641	0.9
187.11179	0.3
188.10710	0.7
189.07214	0.3
190.07870	0.3
190.12262	0.5
191.08575	1.3
192.09380	1.1
193.10141	1.9
195.11710	1.4
199.11214	0.4
200.10614	0.4
202.07741	0.5
203.08604	1.4
204.09286	0.7
205.10158	2.1
206.10764	0.4
207.08054	0.5
207.11734	1.7
209.09686	0.6
209.13153	0.6
210.12819	0.3
211.11238	0.5
215.08504	0.6
216.09296	0.7
217.10150	1.0
218.10886	0.7
219.11647	1.1
221.09712	0.4
221.13277	1.3
223.11180	0.5
223.14827	0.5
225.12759	0.4
228.09427	0.4
229.10167	0.3
231.11720	0.7
233.13191	0.8
235.11353	0.5
235.14935	0.5
236.14183	0.4
237.12747	0.8
240.13828	0.4
242.15396	0.6
243.11717	0.6
249.12753	0.9
250.15984	0.7
251.14383	0.4
261.12857	0.5
263.14282	0.5
266.15408	0.4
293.15317	0.7
294.18570	0.4
306.18390	0.5
310.18262	0.5
310.22046	0.4
324.19736	0.5
338.21054	1.6
342.20752	0.5
366.20639	0.7
370.20074	4.2
370.23795	0.8
380.22449	0.4
384.21774	0.6
398.23160	4.3
402.22772	0.9
412.24686	3.1
416.24924	0.6
430.25818	35.6
431.26196	1.7
448.26852	30.8
449.27344	1.4
578.31000	1.4
596.32062	100.0
597.32355	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	596.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.3
55.01858	16.0
55.05500	13.6
57.03437	12.8
61.02907	6.0
65.65837	2.5
67.05494	26.5
69.03420	15.9
69.07066	19.8
69.10981	16.5
70.24004	2.5
71.04983	7.1
73.02901	6.5
79.05478	20.6
80.31280	2.4
81.03398	26.2
81.07043	24.5
83.04951	8.1
83.08622	6.7
83.44907	2.6
85.02908	16.5
87.00819	4.8
91.05457	16.8
91.56052	2.6
93.07014	16.5
95.04955	11.1
95.08592	12.1
97.02864	13.7
97.06525	17.0
97.10152	4.9
98.23489	5.0
99.04426	5.5
101.32924	2.5
105.03370	9.2
105.07008	8.0
107.04945	6.1
107.08569	11.3
109.02866	16.7
109.06481	5.5
109.10146	15.3
111.08051	4.0
115.07556	4.0
116.04676	6.6
119.08569	10.7
121.10078	3.9
123.04424	4.5
123.11675	3.1
125.09616	4.4
127.03937	15.7
129.05476	23.1
129.06984	4.7
133.10117	4.7
135.08032	5.6
135.11708	3.1
137.01450	2.5
137.02281	16.2
137.09647	7.7
139.07449	2.8
143.07010	8.0
145.04951	7.7
145.10075	4.3
147.04372	3.2
147.07996	3.8
149.09566	3.8
152.07045	5.2
157.08569	10.8
157.10068	3.3
159.11627	3.5
161.09579	3.9
163.11125	2.9
171.10118	5.0
176.10034	2.9
180.06505	53.1
185.09647	2.8
189.11165	2.8
193.12291	6.7
212.09128	9.5
213.03938	10.6
221.11786	4.4
229.14188	4.8
239.12717	3.1
239.24965	2.7
268.16702	2.9
269.17554	3.8
273.18372	4.4
289.17789	3.5
316.08133	34.1
348.10773	4.7
365.23145	12.3
381.22745	5.1
399.23706	100.0
457.18741	3.2
596.28058	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1442
Annotation	Peltatoside
Peak:m/z	Relative Intensity
50.58826	0.2
57.03429	2.4
58.06585	0.4
61.02910	0.9
68.73013	0.2
68.99786	0.4
69.03407	0.6
71.01334	0.4
71.49876	0.2
72.08128	0.3
73.02907	8.2
81.03439	0.3
84.63505	0.2
85.02905	0.9
95.04929	0.2
97.02892	0.4
109.02881	0.2
110.07140	0.3
111.00795	0.8
115.03915	0.7
121.02865	1.1
123.04417	0.3
127.03957	0.5
129.58630	0.2
137.02315	2.6
142.88916	0.2
149.02281	0.4
153.01831	3.0
161.05989	0.3
163.03911	0.7
165.01839	2.0
173.06033	0.2
179.03432	0.2
179.11203	0.2
183.02827	0.7
183.04350	0.4
187.03839	0.3
191.07010	0.2
195.02910	0.2
201.05458	1.3
219.06531	0.2
229.04921	4.1
236.68501	0.2
247.06021	0.8
257.04373	2.6
267.30035	0.2
274.04782	0.9
285.03931	1.2
303.04935	100.0
304.05322	2.0
315.04779	0.4
328.19019	0.3
336.12552	0.2
345.06128	0.2
356.22171	2.2
357.22342	1.4
374.23102	0.8
375.23648	0.3
395.59454	0.2
399.07315	0.4
416.24197	0.3
417.24585	0.3
434.25290	3.9
435.09091	0.3
435.25708	1.9
465.10272	8.9
466.10791	0.3
596.30426	1.9
597.30908	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
57.03416	1.9
59.88921	0.9
67.05496	9.7
69.07061	3.2
71.25057	0.7
79.05492	8.5
81.03402	0.8
81.07048	10.4
83.04971	1.0
83.08600	1.2
83.38700	0.7
85.06540	2.1
87.58189	0.7
91.05475	7.7
93.07034	6.9
95.04946	6.4
95.08613	5.4
97.06482	1.0
97.10160	0.9
105.07006	5.6
107.08552	3.6
109.06522	3.2
109.10122	1.8
113.05998	9.0
113.27280	0.7
117.07011	1.3
119.08579	5.5
121.10154	2.9
123.08025	1.3
123.11651	0.9
129.06989	1.2
131.08568	2.5
133.10066	4.1
135.08002	0.9
135.11697	2.5
137.09561	0.9
143.08527	1.8
145.10110	2.7
147.08057	0.9
147.11658	2.2
149.09593	1.6
149.13271	0.9
155.08542	1.2
157.10097	1.9
159.11690	2.0
161.13292	1.0
161.14742	0.7
169.10190	1.5
171.11702	1.4
181.12326	0.9
195.11649	1.4
197.13017	0.8
207.11865	0.9
245.15286	1.7
247.13005	3.6
273.18188	0.9
303.15637	3.1
317.20898	2.8
335.25766	3.3
373.23196	4.1
396.89111	0.9
443.31400	1.1
452.24579	0.7
579.39520	1.3
597.37439	100.0
598.37769	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	597.414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03942	4.2
55.01862	7.4
55.05252	1.1
55.05503	16.4
57.03432	3.9
57.07061	1.5
63.80148	0.6
65.03935	3.6
65.04213	0.6
66.04704	0.6
67.05495	30.9
68.41618	0.5
69.03394	2.0
69.07060	7.9
70.68143	0.9
71.04979	3.3
71.08620	0.9
77.03907	2.0
79.05480	64.4
81.03405	4.3
81.07044	92.8
82.07378	0.7
83.04529	0.5
83.04971	11.9
83.08604	8.8
85.02893	6.9
85.06543	2.7
89.06026	0.7
91.05467	34.7
93.07030	46.8
95.04333	0.8
95.04954	18.1
95.08591	18.4
97.06524	2.6
97.10161	5.1
99.04433	2.3
99.08083	2.0
103.05460	1.7
105.04501	4.6
105.07017	22.6
107.04948	5.2
107.08579	15.9
109.06501	42.6
109.10143	9.6
111.04430	11.3
111.08087	4.6
113.05997	2.0
115.05453	1.8
117.07008	12.4
119.04914	0.7
119.08560	27.8
121.06499	6.1
121.10123	22.4
121.10972	1.2
123.04410	0.7
123.08053	6.0
123.11688	1.5
125.05975	1.3
125.09611	5.7
128.06216	1.7
129.05482	0.7
129.06978	6.4
130.07773	0.8
131.08545	14.0
133.06502	1.9
133.10117	9.8
134.95251	0.6
135.08032	6.5
135.11671	8.2
137.09595	4.6
141.06926	0.7
142.07770	1.4
143.08556	5.9
145.06465	1.7
145.10089	14.9
147.08049	11.0
147.11670	4.4
149.09587	5.1
149.13258	2.0
151.11153	0.8
153.09106	1.2
153.12746	2.1
155.08560	2.2
157.10095	7.2
159.08034	1.5
159.11700	6.2
161.09570	7.9
161.13264	1.4
163.11162	6.3
165.09114	6.8
169.10091	1.5
171.10298	0.7
171.11647	3.1
173.09633	2.4
173.13286	2.6
175.11183	1.8
175.14906	1.2
181.10124	1.6
181.12187	3.1
183.10159	0.8
183.11684	1.1
185.09537	0.8
185.13272	2.8
187.14734	1.1
189.11221	4.9
189.12683	1.0
191.10687	2.1
195.11703	1.8
197.13268	1.3
199.11279	0.8
199.14825	1.1
209.11636	0.9
209.13417	0.9
211.14888	1.2
213.16394	1.7
215.17915	1.3
217.15884	1.2
223.13147	5.2
227.12842	2.6
227.17984	1.8
231.17488	0.7
233.19063	0.8
237.16322	1.9
245.18967	1.5
249.14798	4.1
255.17371	2.9
264.42200	0.7
273.18454	33.5
274.18787	1.1
275.20129	1.3
291.19501	100.0
292.19949	2.4
307.22684	8.9
309.20639	2.4
347.22073	5.7
349.23828	0.8
365.23264	2.6
505.37082	1.0
579.40448	4.2
597.41510	34.3
598.41882	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
59.44509	0.8
69.03410	1.8
69.25856	5.3
72.11608	0.9
73.02921	1.2
78.04716	1.4
79.05482	3.6
81.03409	10.4
85.02888	7.8
91.05490	2.7
93.48480	0.9
94.63358	0.9
95.04955	2.3
95.14686	0.8
97.02876	2.8
103.05453	1.1
105.03338	0.9
105.07014	2.0
107.04941	10.1
115.05429	6.0
117.06993	13.5
121.06494	0.9
123.04397	3.5
124.05176	2.3
127.03953	0.9
127.05412	1.3
128.06178	1.1
129.07034	2.4
130.04103	1.3
131.04939	2.1
131.08556	3.2
133.06473	1.5
141.07005	1.8
144.05650	2.5
145.06465	33.8
147.08063	1.1
151.03912	1.1
152.04636	1.9
155.06013	6.3
156.05675	5.3
157.06459	2.5
158.07147	1.0
159.08044	6.1
161.05981	3.3
162.07632	1.4
163.03946	1.5
167.07014	41.5
169.07707	1.1
172.05270	1.2
173.05959	63.5
174.06470	1.4
175.07611	1.2
180.08687	2.4
183.06573	0.9
184.05159	1.6
187.07561	5.6
190.06218	34.2
191.06949	2.1
193.08594	2.3
202.06197	2.3
203.07021	6.6
205.08569	100.0
206.08972	2.8
207.06389	1.7
217.08577	36.8
219.08093	1.1
219.10194	3.2
223.09557	3.7
231.07825	1.1
235.09610	24.8
242.55006	1.3
247.07385	1.8
247.09631	5.9
248.08266	1.8
253.98311	1.0
263.10699	1.4
264.07816	1.1
265.10681	27.2
267.11105	1.0
276.07751	1.0
291.10034	1.6
315.08585	5.0
323.12747	1.6
330.10825	5.7
331.11624	3.8
334.08966	0.9
339.12143	1.8
351.12167	5.2
371.14789	2.9
383.04050	1.1
383.14899	10.9
401.15820	10.1
402.16437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85284	1.0
61.02925	1.4
69.03412	2.8
69.43517	4.3
69.43927	1.7
73.18317	1.2
79.05482	4.2
81.03410	14.4
85.02892	10.2
91.03926	1.2
91.05473	3.4
97.02892	3.5
103.05434	1.6
105.07011	1.9
107.04933	10.3
109.02904	1.2
115.05425	6.6
117.06990	16.8
123.04449	2.4
124.05206	1.9
125.17299	1.1
127.03919	2.4
128.06120	1.2
129.06996	3.2
129.76431	1.2
130.61925	0.9
131.08565	3.8
141.07022	1.9
144.05707	2.7
145.04871	1.9
145.05217	2.1
145.06467	35.0
145.07555	1.8
152.04698	2.5
153.05569	1.2
155.06009	5.7
155.89221	1.3
156.05658	7.5
157.06419	1.4
159.08052	4.1
160.05170	1.5
161.05981	5.0
167.07014	54.6
168.07439	1.2
173.05956	60.5
174.06491	1.5
175.07518	1.4
177.05377	1.5
180.08704	5.3
181.08667	1.4
184.05162	2.1
185.12195	1.2
187.07504	5.4
190.06226	34.2
191.07007	3.2
193.08600	3.5
193.10274	1.3
195.06599	1.3
202.06285	3.0
203.06995	7.7
205.08569	100.0
206.08997	2.1
217.08575	42.9
218.09268	1.4
219.08185	2.2
219.10165	4.9
223.09604	3.9
233.09525	1.2
235.07341	1.2
235.09595	30.1
247.09674	8.9
263.10733	1.2
264.07996	1.2
265.08099	2.0
265.10687	27.3
271.09741	2.6
293.08047	1.6
305.08200	1.2
315.08560	4.4
323.12836	2.0
330.10928	6.7
331.11819	3.4
336.10168	1.2
339.12399	1.4
351.12262	3.4
369.13092	2.5
371.14911	2.3
383.14786	10.8
401.16006	9.7
424.78497	1.3
476.35529	1.3
485.13016	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.34015	0.7
57.03431	4.1
58.06586	0.8
61.41859	0.6
67.58674	0.6
68.47498	0.7
69.03417	1.8
70.06567	1.4
70.17540	1.4
73.02893	0.8
75.04455	2.5
79.05469	1.9
85.02887	4.2
87.33043	0.6
91.05473	1.4
95.04926	0.7
97.02881	1.9
103.05455	1.4
105.03442	0.7
105.07011	23.0
107.04934	2.8
109.06499	1.2
113.76598	0.6
117.06995	0.8
122.03638	1.4
133.06465	56.9
135.04382	1.2
135.08005	1.4
137.05949	100.0
138.06306	1.3
145.04956	0.9
149.05956	0.7
162.06723	0.8
163.07530	5.6
165.09085	33.6
175.07541	3.9
175.11128	0.8
177.09087	1.4
181.08592	3.0
183.10139	18.8
203.10614	1.5
209.11731	0.7
221.11676	3.7
221.48091	0.6
228.02409	0.7
239.12688	2.5
250.68971	0.7
257.13791	84.5
258.14120	1.9
261.95224	0.7
303.04883	2.8
303.12201	0.9
304.05362	2.9
436.23013	1.4
580.30872	1.5
598.32245	9.5
606.73730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01866	0.5
55.05495	0.8
56.05030	1.0
58.06597	8.9
59.92708	0.5
61.40032	0.5
63.20823	0.5
67.05489	1.8
68.05008	0.5
69.03420	0.9
69.35281	2.4
70.06560	1.1
71.04981	1.3
72.08144	2.8
74.06084	0.6
75.04467	1.6
77.03918	0.8
77.26243	0.5
79.05465	2.9
81.03423	0.8
81.07043	3.3
83.97804	0.5
84.08135	1.8
85.02888	1.5
85.06570	0.7
90.67731	0.5
91.05469	3.3
93.07025	2.2
95.04950	4.1
95.08582	1.2
96.08115	0.7
97.02855	0.6
98.09682	0.6
102.09147	0.6
105.03380	14.2
105.04491	0.9
105.07000	3.0
107.04962	1.0
108.08114	1.5
109.06503	1.5
109.10156	1.0
109.58392	0.5
110.09669	0.6
111.04483	0.7
111.08056	7.3
115.03918	0.6
117.07016	1.4
119.08556	1.3
120.08038	0.8
121.06493	0.8
122.09654	1.9
128.06204	1.1
129.06960	2.6
131.08566	1.7
133.06490	0.7
133.10127	0.6
136.11180	0.7
137.05978	0.7
140.10696	1.2
141.06984	1.2
141.09123	0.7
143.08548	2.0
145.10138	0.9
147.04405	1.5
147.08052	1.1
150.09131	0.7
152.10684	0.7
153.06998	0.7
155.08542	2.2
157.10042	1.1
158.09688	0.6
159.08134	0.7
165.06990	1.5
167.08516	1.8
169.10155	1.8
171.07890	0.7
172.11174	1.5
177.05411	0.6
178.07788	0.9
179.08553	2.1
181.10149	1.8
183.11665	1.0
186.12796	0.8
192.09290	1.1
193.10136	2.9
195.11676	1.0
197.09563	1.0
198.12787	1.1
203.08617	1.3
204.09279	1.0
205.08443	0.6
205.10056	2.6
207.07951	0.7
207.11751	1.2
212.14395	0.7
217.10176	1.1
218.10956	1.0
219.08078	0.7
219.11707	2.1
221.09753	0.7
221.13239	0.9
222.12753	0.8
228.13782	0.7
231.11827	0.7
232.12733	0.6
233.09561	0.8
233.13348	1.0
234.13866	0.5
237.12732	0.7
242.15364	1.1
247.11153	2.9
247.14978	0.7
251.20227	0.8
256.13232	0.7
274.15817	1.3
276.17383	0.7
287.05533	0.9
292.16940	2.2
292.20386	0.5
293.15427	1.6
294.18726	0.8
296.16443	1.0
310.18082	1.2
320.20135	3.7
324.19635	0.8
328.18979	0.8
337.20471	1.2
338.21118	11.2
356.19135	0.8
356.22186	15.7
357.22641	1.0
370.23837	1.8
374.23364	2.9
380.22046	1.6
398.23196	5.0
402.26422	5.8
416.24261	2.1
426.22296	1.1
430.22079	0.9
434.29031	6.4
440.24423	0.9
458.25330	19.7
459.25717	1.3
476.26282	4.5
478.21924	0.9
538.24353	1.7
562.28558	0.7
566.27448	0.8
580.28986	9.5
581.28992	0.8
598.29956	100.0
599.30499	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	598.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02818	0.3
53.03931	1.0
55.05512	0.4
56.05021	1.1
57.03437	1.1
58.06327	0.7
58.06596	7.9
61.02907	0.5
67.05504	1.9
68.05035	0.5
69.03416	4.6
70.06602	0.7
71.04993	0.6
72.08155	1.5
73.02925	1.5
77.03925	0.5
79.05486	2.4
81.03423	0.8
81.07049	13.1
82.06612	0.6
83.04988	0.5
84.08150	0.9
85.02892	4.0
85.06528	0.4
87.04464	2.6
88.07630	1.5
91.05466	3.6
93.07037	1.3
94.06567	0.6
95.04977	3.6
95.08616	2.8
96.08141	0.9
97.02883	5.7
97.06569	0.4
98.09702	0.7
99.04450	0.9
103.03991	0.5
103.05474	1.0
105.03386	10.4
105.04481	0.9
105.07003	2.2
107.04958	1.2
107.08573	0.7
108.08086	3.3
109.02856	0.5
109.06508	0.9
109.10132	0.7
110.09687	1.0
111.04436	0.8
112.07628	1.0
115.03916	4.7
115.05457	0.8
117.07023	2.2
119.08573	1.0
121.06517	1.3
122.09669	3.2
127.03912	1.1
128.06230	1.0
129.06953	2.6
131.08565	1.7
133.04956	6.5
133.10138	0.5
135.04529	0.4
135.08038	1.0
137.06001	1.2
137.13255	3.4
138.09132	1.2
139.03922	0.7
140.10684	5.8
141.07014	1.4
143.08572	1.6
145.04933	1.1
145.06494	0.6
145.10126	0.8
146.09669	0.6
147.11754	0.5
150.09161	0.5
151.03937	1.1
151.07591	0.5
153.07024	0.9
154.07771	0.4
155.08536	2.0
157.05084	0.4
157.10114	0.8
158.09669	0.8
159.08075	1.0
160.11195	0.9
160.23395	0.4
161.09586	0.6
164.10692	0.7
165.07034	1.5
166.05009	0.6
166.07765	0.7
167.07295	0.5
167.08588	2.0
169.10181	1.3
171.08017	0.4
172.11180	0.7
173.05957	0.6
174.09175	0.5
174.12836	0.6
176.10695	0.5
177.05380	0.6
178.07674	0.9
179.08502	2.1
181.08786	0.4
181.10196	1.8
183.08211	0.4
183.11775	0.5
184.11252	0.5
188.10658	0.5
191.08650	1.5
192.09378	0.5
193.10115	1.9
195.11749	1.0
197.09598	0.6
198.12793	0.6
202.07843	0.6
203.08612	1.0
204.09338	0.9
205.10126	1.5
206.10889	0.7
207.11755	1.2
209.09576	0.6
211.06013	0.7
216.09305	0.9
217.10187	0.7
218.11063	0.7
219.11700	1.2
221.13315	1.1
223.11351	0.8
229.07066	2.9
233.13373	0.5
237.12840	0.5
244.16838	0.4
247.08069	0.8
249.12708	1.0
258.15024	0.8
259.08228	0.7
265.09088	2.4
265.15289	0.4
269.21201	0.7
276.17612	0.7
278.15247	0.6
280.16956	0.6
287.05472	0.6
288.05847	0.7
294.18561	0.4
295.10358	0.9
306.18668	1.5
308.20074	0.7
310.18152	0.6
311.16373	0.4
324.19608	1.7
332.22757	0.5
336.19617	0.7
338.21243	1.6
342.20670	0.7
356.22302	1.2
366.20877	0.9
368.22318	0.6
370.19977	2.2
384.21893	0.7
398.23169	6.1
416.24313	5.3
417.24680	0.4
426.22684	9.0
427.23395	0.5
430.22125	2.7
436.23444	0.9
444.27377	0.6
458.25311	21.6
459.25848	1.1
476.26248	11.8
477.27356	0.5
580.29004	1.7
598.30072	100.0
599.30505	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	598.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88554	0.4
53.03941	0.7
53.75056	0.3
55.01884	0.5
57.03430	0.9
58.06604	0.7
60.04534	0.6
60.15109	0.3
61.02927	1.8
65.03920	0.5
65.85250	0.4
67.05508	0.8
67.46724	0.4
69.03423	4.0
70.06592	0.5
70.35852	0.9
71.04989	1.3
73.02922	1.2
75.04477	0.9
79.05504	1.3
80.05021	1.1
81.03429	1.9
81.07049	0.5
84.08148	0.9
85.02901	5.6
87.04468	0.9
91.03931	0.4
91.05485	1.5
93.07064	1.7
94.67497	0.4
95.05003	0.7
97.02898	1.9
98.06068	2.8
98.23396	0.5
99.04450	0.8
105.07037	0.8
106.06592	0.4
108.08137	0.9
109.02874	0.8
109.38318	0.4
112.12415	0.4
114.68747	0.4
117.07034	0.9
119.08475	0.4
122.09683	0.7
126.80085	0.4
127.03958	0.9
128.06213	0.4
129.07010	1.2
131.08534	0.9
134.09657	0.8
138.09192	0.8
141.06938	0.4
143.08609	0.5
146.09662	0.5
147.08087	0.5
155.08586	1.1
156.65569	0.5
157.06506	0.6
158.09756	0.5
159.08122	0.6
160.11208	0.6
161.09593	0.5
165.07117	0.5
166.07802	0.4
167.08554	0.6
169.10107	0.6
170.11815	0.9
172.11214	0.6
179.08571	0.7
185.09555	0.4
189.11452	0.5
190.12291	0.6
191.57973	0.4
193.10098	0.6
195.11700	0.9
197.09615	0.5
203.58177	0.4
205.10115	0.7
207.11624	0.4
221.13283	0.8
223.11255	0.7
233.13474	0.6
249.12778	0.7
279.13815	0.4
298.17932	0.7
310.18173	0.7
312.19717	0.6
316.19385	0.5
328.19168	0.5
330.20761	0.9
344.22415	0.6
358.20279	0.5
360.21884	1.2
372.21820	2.0
404.24332	2.9
436.27020	1.1
480.70065	0.4
492.25879	0.5
522.27112	0.5
566.29572	6.0
598.32263	100.0
599.32733	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	598.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86237	2.4
53.03925	3.2
55.01872	5.1
55.05508	21.1
55.84062	2.2
57.03425	7.5
57.07075	14.4
65.03918	4.6
67.05498	83.6
69.03436	3.0
69.07062	30.8
70.06558	3.0
71.04981	3.4
71.08616	4.8
74.55721	2.1
79.05477	30.0
81.03412	8.6
81.07047	100.0
83.04985	4.0
83.08608	19.5
85.02902	2.8
85.06533	4.0
85.10165	3.6
85.14559	2.4
85.33105	1.9
87.06403	1.9
91.05467	27.4
92.05795	2.4
93.07034	37.6
95.04970	6.7
95.08592	87.4
96.08913	3.9
97.06504	7.9
97.10142	11.9
98.22677	4.8
99.04456	3.6
99.08080	4.2
103.07530	2.1
105.07014	25.3
106.07345	2.3
107.08571	29.0
109.02852	9.7
109.06499	2.7
109.10136	46.2
110.03612	4.0
110.10529	3.1
111.08067	3.4
111.11655	4.2
113.09578	3.0
117.06977	6.2
119.08559	24.7
120.08900	1.9
121.10126	32.7
122.10415	3.2
123.08060	7.2
123.11693	22.7
127.03885	15.4
127.11227	3.0
127.22541	2.0
129.06989	2.9
131.08557	7.3
133.10112	27.9
134.10455	2.2
135.08029	3.8
135.11655	17.4
137.09602	5.0
137.13229	8.3
141.12727	4.4
143.08519	6.2
145.10106	8.4
147.11682	9.1
149.05992	7.5
149.13242	13.3
149.50639	2.2
151.07495	4.4
151.14821	7.7
155.08553	3.6
155.14307	4.8
155.98795	2.1
156.09396	3.5
157.10100	5.2
159.11681	4.2
161.13216	14.0
163.14803	8.8
165.07062	2.9
165.09087	6.1
165.16344	10.2
167.10698	6.5
168.63449	2.0
169.10074	2.5
171.11671	5.6
173.13312	3.8
175.14803	9.4
177.16289	3.8
179.17943	7.6
183.11629	2.8
189.16403	6.4
190.12160	2.0
191.00044	2.7
193.10078	2.5
193.12015	2.1
195.11607	3.3
197.13225	2.9
199.11227	2.5
201.16281	2.1
207.11559	2.6
209.13170	2.6
214.55946	2.3
215.08366	2.1
217.19357	2.1
221.15411	5.9
233.15399	4.8
245.22609	71.3
263.20837	5.2
263.23672	94.1
264.23972	3.1
284.29480	3.6
337.27347	40.2
341.10275	4.3
355.28400	4.0
383.27698	2.9
412.74918	2.5
466.29507	2.2
476.30188	5.9
563.28558	5.2
580.38947	3.2
581.38922	2.9
598.32184	8.3
598.40179	6.4
599.40564	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	598.3367
Annotation	1-Epicrassicaudine
Peak:m/z	Relative Intensity
52.31979	0.5
56.05026	0.9
57.01735	0.5
58.06594	3.8
67.05494	0.7
70.06586	0.6
71.04984	1.0
72.08156	3.2
72.16133	0.5
75.04472	1.4
79.05476	0.8
80.59117	0.4
84.19292	0.4
85.06527	0.5
88.07638	0.7
91.05500	2.8
95.04955	1.6
98.09724	0.7
102.09180	2.1
103.05451	1.1
105.03401	3.6
105.07033	1.8
108.08120	2.3
109.06560	0.9
117.07010	1.0
121.06487	1.3
122.09650	0.7
128.06165	0.8
129.07027	1.5
131.08575	1.2
133.06496	0.8
135.08067	1.8
137.44724	0.5
141.07007	1.1
143.08595	1.0
145.06453	0.6
147.08051	0.7
148.11194	0.5
152.10675	0.7
153.07030	1.0
154.12268	0.7
155.08540	1.2
158.09679	1.4
159.08101	0.7
165.07008	1.2
166.07800	0.7
167.08595	1.3
171.08037	0.7
177.09119	0.9
178.07831	1.1
178.12283	1.1
179.08611	1.0
184.11263	0.5
185.09566	0.7
191.08669	1.0
192.09334	0.7
193.10121	1.3
203.08542	1.4
204.09441	0.8
205.10181	1.5
207.11742	1.0
215.08533	1.0
216.09515	0.6
217.10107	0.9
219.11600	0.6
221.09682	0.5
222.10310	0.5
231.11775	1.1
233.13226	1.1
234.12796	0.5
237.12854	0.7
239.14302	0.5
249.12718	1.0
262.15875	0.5
263.14258	1.1
275.14099	0.7
276.17545	1.1
276.21182	0.5
280.16949	0.6
292.17001	0.7
315.11786	0.5
320.20187	0.9
330.20670	0.6
338.21295	0.6
352.22766	1.1
366.21130	0.5
380.22025	1.3
384.25656	1.0
412.24701	7.7
416.24222	3.9
444.27405	27.5
445.27628	1.0
476.29993	26.9
477.30579	1.0
528.95850	0.5
566.31152	0.8
598.33649	100.0
599.34149	5.4
605.46698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
53.03930	4.4
55.01864	10.2
55.05502	30.5
55.49907	1.7
57.03415	3.1
57.07056	2.5
58.53431	1.4
65.03923	4.8
67.05492	47.3
69.03419	5.6
69.07057	25.2
69.76812	2.7
69.77135	2.8
71.04948	2.9
77.03912	2.9
77.79324	1.5
79.05038	3.4
79.05480	52.2
81.03400	4.7
81.07041	64.5
83.04956	15.7
83.08604	13.8
85.06524	4.3
85.36315	1.4
88.83867	1.5
91.05470	53.7
93.07031	58.5
94.23089	1.6
95.04953	23.0
95.08004	2.7
95.08593	34.0
97.02849	2.1
97.06528	9.4
97.10140	6.7
99.00776	1.7
99.04400	1.7
99.08084	1.8
103.05450	2.7
105.04504	2.4
105.06339	3.1
105.07016	50.1
107.04940	16.3
107.08581	31.3
108.02055	1.7
108.08829	1.6
109.06504	18.9
109.10126	14.4
111.04391	1.9
111.08051	6.2
115.05444	2.6
117.07007	22.8
119.08562	35.3
120.00892	1.6
121.05697	2.2
121.06496	18.3
121.10126	21.1
123.04379	2.0
123.08055	15.8
123.11703	3.5
125.09639	4.7
128.06183	4.0
129.06993	9.8
131.08543	35.1
133.06436	8.4
133.10115	32.1
135.08044	18.7
135.11667	12.2
137.09573	6.3
139.07462	2.0
139.90158	1.6
141.07001	4.6
142.07750	5.2
143.08543	9.3
145.06442	8.0
145.10100	27.2
147.08029	12.0
147.11659	17.9
149.09599	11.8
149.13225	3.2
151.07504	4.2
151.11131	5.6
153.08975	1.6
155.08513	4.7
157.10112	14.0
159.08073	9.0
159.11670	16.8
161.09532	8.8
161.13219	6.6
163.07498	6.8
163.11125	9.9
165.09074	6.9
167.08470	3.5
167.10632	3.5
169.10103	7.1
171.11678	6.7
173.09633	5.0
173.13206	12.3
175.11163	6.4
175.14766	2.5
177.12717	3.1
177.23128	1.9
179.10631	5.0
181.10120	1.8
182.10841	1.5
183.11693	6.6
185.09628	2.5
185.13205	2.4
187.11160	5.1
187.14845	3.3
189.12723	3.7
191.14299	3.7
193.12202	17.1
195.11601	2.6
197.13203	4.7
199.11125	2.1
199.14758	2.8
201.12729	4.7
201.16335	3.0
203.14343	3.3
207.11806	2.9
207.13751	4.6
209.13303	2.2
209.15372	1.9
211.14925	3.0
213.16328	3.3
215.14322	3.6
219.13808	3.1
219.17377	4.6
221.13498	2.0
221.15202	7.8
223.13066	1.8
225.16403	1.7
229.15741	3.4
229.19498	2.2
233.15402	4.2
239.17947	4.7
243.17300	3.2
247.16821	4.2
247.20662	2.8
255.17430	2.7
257.18976	17.2
261.18417	3.3
271.16891	6.7
275.20016	100.0
276.20206	2.1
289.17896	39.4
291.19516	2.9
293.21146	11.8
307.19113	8.6
307.22064	1.6
335.25726	2.4
373.99808	1.8
391.26178	3.1
449.30505	1.7
467.31213	3.9
483.30234	2.2
507.34473	1.9
545.36096	2.7
563.37494	9.1
581.38159	29.6
599.40845	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	599.409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01870	1.8
55.05500	10.1
57.07066	6.6
57.25888	1.6
59.04988	3.6
62.41513	1.5
65.03922	3.5
67.05495	15.3
69.03421	10.8
69.07063	11.3
69.25133	9.2
73.40128	1.5
77.03936	1.6
77.45930	1.6
79.05479	16.2
81.07048	20.8
83.04977	11.9
83.08614	4.9
85.06550	5.5
89.08506	1.7
91.05463	26.8
93.07032	31.9
95.04974	13.7
95.08596	16.8
97.06529	6.9
98.23560	2.4
105.04547	3.1
105.07021	50.3
107.04969	2.3
107.08577	33.0
109.06522	11.9
109.10132	11.9
111.08105	3.3
115.05453	3.9
116.06240	1.5
117.06989	8.1
119.08566	42.3
121.06507	11.9
121.10136	37.4
121.10968	2.6
123.08057	14.0
123.11703	4.3
125.05991	2.6
125.09628	7.1
128.06163	9.1
129.07001	8.5
130.07773	4.8
131.08560	19.8
132.09326	1.8
133.06467	5.2
133.07510	1.7
133.10109	22.8
135.08023	11.4
135.11684	9.4
137.06001	1.9
137.09596	10.1
137.18024	1.6
139.07581	2.6
139.11092	2.0
141.06984	7.6
142.07755	12.2
143.08551	26.3
144.09338	8.6
145.06474	2.4
145.10104	30.6
145.11186	2.3
147.08034	17.6
147.11705	8.0
149.09589	14.8
151.07521	16.5
153.07030	2.2
155.08511	12.1
156.09308	10.4
157.10117	34.1
158.07260	1.8
158.10910	4.5
159.07999	14.7
159.11665	16.3
161.09601	12.5
161.13245	5.4
163.11113	8.1
165.07039	3.8
165.09085	23.3
167.08578	6.3
167.10649	15.5
168.09360	5.2
169.10123	18.4
170.10931	7.1
171.07982	2.9
171.11673	20.9
172.08803	2.0
173.09586	9.0
173.13263	10.0
175.11163	8.2
175.14803	2.9
177.09155	4.8
177.12657	2.5
179.08583	6.2
180.09395	3.1
181.10110	9.8
181.12238	8.1
182.10886	5.7
183.11694	19.1
183.14279	1.6
184.12386	2.0
185.09615	4.1
185.13179	10.8
187.11263	5.2
187.14790	4.1
188.11894	2.1
189.12694	11.2
191.14351	3.1
192.09370	1.7
193.10063	8.4
194.10933	6.9
195.11697	12.6
195.13416	2.2
196.12486	2.7
197.09583	2.3
197.13210	13.2
199.11171	7.8
199.14838	7.0
201.12744	2.9
203.14287	10.0
205.10222	2.3
206.10924	3.7
207.11731	13.1
207.13832	13.2
208.12463	5.0
209.13271	13.7
209.15396	5.0
210.14032	1.8
211.11209	2.7
211.14891	5.5
213.12796	3.8
215.14330	6.4
217.15880	3.3
219.11720	3.6
220.12538	3.7
221.13290	8.2
221.15292	47.3
222.14011	2.3
223.11339	2.9
223.14775	7.9
225.12785	6.5
225.16318	2.5
227.14313	3.5
229.12221	2.3
229.15730	2.1
230.11073	1.7
231.11758	2.5
232.12447	3.8
233.13200	6.3
233.15283	31.0
234.13957	3.7
235.14854	7.3
237.12773	2.6
237.14648	3.2
237.16649	3.2
239.14319	2.1
241.15976	2.1
244.12213	2.4
245.13336	4.6
247.14917	4.6
247.17133	3.8
249.16389	3.4
251.14517	2.2
251.17924	2.3
253.15964	2.3
263.17999	3.9
265.16068	2.9
269.18991	2.4
273.16068	2.9
273.18747	2.4
281.18961	11.1
285.18671	3.9
286.19226	5.4
287.20178	2.4
289.19614	2.8
299.20148	7.0
312.20697	3.8
349.21689	2.2
352.15073	1.7
352.23944	2.7
364.24109	4.3
365.24902	3.8
373.25308	3.8
391.26468	4.5
441.30075	4.5
489.33646	6.0
507.34665	82.8
508.35181	2.8
581.39844	6.9
599.40918	100.0
600.41266	4.1
602.16797	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.0
55.01848	0.9
55.05470	2.4
57.07071	5.9
59.04962	1.8
65.03899	0.7
67.05495	5.3
69.03418	6.7
69.07029	2.2
69.90353	1.6
77.03898	0.8
79.05477	5.7
81.03382	0.7
81.07053	9.8
83.04971	2.8
83.08583	0.9
85.06538	4.0
91.05472	11.6
93.07031	17.3
95.04952	5.2
95.08023	0.7
95.08596	10.3
97.06509	2.8
103.05441	1.2
105.06353	1.1
105.07018	19.0
107.08578	9.5
109.06519	4.9
109.10144	3.0
111.08035	1.5
115.05402	1.0
117.07002	3.1
119.08566	19.9
121.06513	4.0
121.10130	10.8
123.08060	10.2
123.11685	0.7
125.06017	2.8
128.06183	2.2
129.07033	3.1
130.07703	1.9
131.08540	7.3
133.06416	1.6
133.10112	9.1
135.08040	10.7
135.11658	3.0
137.06007	1.0
137.09621	9.8
139.07480	1.8
139.11131	0.7
141.06923	1.5
142.07736	4.6
143.08548	7.9
144.09296	2.3
145.06467	1.3
145.10100	12.6
147.08029	20.5
147.11717	3.4
149.09595	3.5
151.07520	9.4
155.08504	4.5
156.09303	5.1
157.10114	13.3
158.10828	1.3
159.08069	2.6
159.11682	7.6
160.08798	1.1
161.09612	4.3
161.13222	4.4
163.07520	0.6
163.11166	5.8
165.09097	46.4
166.09482	0.8
167.08528	1.8
167.10640	1.2
168.09245	1.4
169.10115	5.6
170.10849	2.5
171.11670	8.8
173.09560	3.6
173.13235	3.0
175.11137	2.2
175.14781	1.6
177.09058	1.3
177.12724	1.6
178.02599	0.7
179.08582	1.5
179.14288	0.7
180.09232	0.7
181.10110	3.5
181.12221	6.9
182.10873	1.3
183.11674	9.0
184.12527	0.7
185.09647	1.2
185.13229	6.8
187.11139	1.8
187.14815	2.0
188.11897	0.7
189.12708	3.7
191.10637	3.0
191.14307	1.2
192.09274	0.8
193.10126	1.5
193.12112	1.3
194.10896	1.2
195.11653	3.3
195.13661	0.9
196.12392	1.6
197.09486	0.8
197.13255	4.2
199.11169	2.4
199.14847	1.2
201.12756	1.7
203.14294	16.1
205.10234	0.7
205.12155	0.7
206.10748	1.1
207.11674	2.4
207.13770	4.8
208.12375	1.3
209.13197	4.0
209.15131	1.3
211.11162	1.5
211.14787	4.9
213.12675	2.4
215.14227	1.1
219.11749	0.8
221.15334	100.0
222.15659	2.1
223.11159	1.0
223.14767	2.1
225.12679	1.6
225.16373	1.8
227.14247	1.3
229.15796	1.3
231.13696	1.0
233.13239	1.1
233.15401	1.8
235.14752	1.1
235.16899	1.2
237.12845	0.8
239.14256	1.3
247.16920	16.2
249.16412	1.3
251.14392	0.8
253.15688	1.1
255.13788	0.9
261.18564	0.7
263.17908	1.1
271.16928	0.7
273.16263	0.6
281.18973	2.3
285.18405	1.2
286.19498	0.9
287.20047	6.6
291.17029	0.8
293.18655	0.7
299.20187	4.6
301.21802	1.3
307.20639	0.6
309.18469	0.8
311.19958	2.1
313.21619	2.1
325.21619	1.6
327.23105	1.9
335.19641	1.0
365.24716	4.1
391.26251	8.8
413.26968	1.4
419.29541	2.8
427.28339	6.4
453.30096	1.0
507.34671	5.3
519.34747	2.9
563.38257	0.7
581.39758	1.8
599.40894	48.4
600.41217	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	599.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54564	1.9
55.01897	3.1
55.05511	11.2
57.07068	8.1
59.05001	4.0
62.51070	2.0
63.86773	2.0
65.03923	2.0
67.05500	21.1
67.54080	2.2
69.03411	8.8
69.07063	12.0
69.75182	5.3
75.57542	1.8
77.03914	2.3
79.05479	21.7
81.07043	24.8
83.04980	17.3
83.08611	6.2
85.06538	8.6
85.36753	1.9
87.04465	2.1
91.05473	38.2
93.07034	37.4
95.04972	21.6
95.08600	18.4
97.06532	9.9
103.05444	2.3
105.04485	3.9
105.07021	53.3
107.08583	42.5
109.06493	16.6
109.10132	13.8
111.08063	2.7
115.05445	4.1
117.06999	14.0
119.08563	50.1
121.06499	15.6
121.10130	42.3
121.10986	3.1
123.08047	20.2
125.05964	2.8
125.09640	6.9
128.06189	12.2
129.06993	15.9
130.07774	4.7
131.08568	25.4
133.06488	6.4
133.10112	27.3
135.08035	19.8
135.11670	9.0
137.06071	2.9
137.09572	10.0
139.07466	3.4
139.11177	3.8
141.06972	7.4
142.07747	12.6
143.08556	38.3
144.09358	10.9
145.06494	3.3
145.10110	41.6
147.08044	21.0
147.11696	9.5
149.09621	16.9
149.13269	1.9
151.07562	14.8
153.07014	4.9
153.09096	5.0
154.20088	1.9
155.08548	12.2
155.10623	2.7
156.09308	15.4
157.10112	44.4
157.11386	3.7
158.07222	2.4
158.10881	6.1
159.08044	15.8
159.11681	21.6
161.09595	12.8
161.13165	5.5
163.11198	9.5
165.06998	6.3
165.09094	27.8
166.07867	3.1
167.08539	5.9
167.10645	17.6
168.09372	5.6
169.10092	20.7
170.10934	7.0
171.11627	20.7
172.12524	3.6
173.09531	9.7
173.13205	10.4
175.11174	12.6
175.14870	4.7
177.12830	3.0
179.08551	8.6
180.09338	6.1
181.10062	10.8
181.12239	7.2
182.10915	8.9
183.11662	20.5
184.12608	2.5
185.09608	5.7
185.13200	10.7
187.11205	6.7
187.14799	4.0
189.12773	8.9
191.10690	2.2
191.14449	4.9
192.09349	3.3
193.10178	11.4
194.10927	8.2
195.11668	16.2
196.12488	4.1
197.09671	3.1
197.13205	16.8
198.14207	2.2
199.11211	8.2
199.14830	6.6
201.12772	5.9
203.14293	12.4
206.10997	5.7
207.11725	12.7
207.13818	13.2
208.12457	5.1
208.14438	2.5
209.09846	2.2
209.13269	15.5
209.15221	3.6
210.14027	3.3
211.11147	3.5
211.14912	6.3
213.12688	3.8
213.16341	3.4
215.14246	4.7
217.10107	3.3
218.10980	2.2
219.11679	5.3
220.12514	6.2
221.13237	8.8
221.15288	49.7
223.14830	8.5
225.12775	5.5
225.16312	5.5
227.14301	3.7
231.11691	2.7
232.12450	4.3
233.13211	6.1
233.15320	43.1
233.17563	2.5
235.14865	6.7
237.14668	3.8
237.16655	3.1
239.17850	2.5
241.15674	3.3
247.14771	5.1
247.17010	3.9
249.16508	3.8
251.14197	3.7
251.18260	2.5
255.17279	2.2
259.14780	4.4
259.17221	2.3
260.15622	3.2
261.16467	4.3
263.17984	4.7
269.19113	2.5
271.14566	2.9
273.16171	3.4
273.18735	3.7
281.18933	14.0
285.18594	2.8
287.20172	4.6
289.19388	2.5
295.20428	3.6
299.20056	7.7
349.21625	3.5
364.23703	3.5
365.24918	3.1
373.25336	3.3
377.24792	2.5
391.06778	2.6
391.26282	5.5
441.29926	5.8
489.33658	6.5
493.32788	2.5
507.34674	92.1
581.39661	4.5
599.40906	100.0
600.41119	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	599.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.2
52.54358	1.4
53.03947	3.8
55.01864	7.3
55.05504	26.8
57.03438	5.3
57.07066	4.6
65.03934	5.2
67.05496	65.2
69.03419	3.7
69.07056	28.9
70.17998	1.8
71.04979	5.5
71.43658	1.6
77.03888	2.1
79.05481	79.1
81.03421	3.3
81.07043	100.0
82.07423	1.6
83.04975	7.6
83.08613	16.9
85.06548	5.4
89.06039	2.0
91.05465	53.7
93.07032	78.5
95.04954	19.2
95.08595	43.1
97.06513	12.6
97.10171	4.8
99.08088	4.0
105.04533	2.9
105.07016	49.5
107.04957	6.3
107.08584	34.2
109.06496	22.2
109.10157	20.5
111.08096	7.6
112.51076	1.5
113.09669	2.5
117.06999	15.5
119.08563	41.6
121.06472	7.6
121.09269	2.5
121.10127	45.6
123.08059	9.6
123.11689	12.4
125.09660	4.4
129.07002	5.6
131.08542	21.4
133.06500	3.3
133.10095	33.9
135.08049	10.3
135.11665	14.4
137.09605	6.0
137.13246	2.5
139.11116	2.2
141.06970	3.0
142.07791	3.6
143.08504	9.6
145.06438	2.7
145.10109	25.0
147.08047	6.5
147.11671	28.9
149.09599	12.9
149.13237	8.3
151.07521	3.7
151.11179	4.3
155.08562	5.5
157.10121	10.3
159.08044	3.0
159.11659	15.7
161.09583	6.3
161.13245	6.6
163.11156	8.5
163.14784	2.1
165.09091	3.5
165.12727	9.2
167.10767	1.9
169.10103	5.5
171.11629	10.2
173.09720	2.4
173.13260	12.5
175.11182	4.3
175.14738	3.1
177.12709	2.8
179.10719	2.1
181.10054	1.7
181.12257	2.2
183.11703	5.1
185.13226	3.5
187.11142	3.7
187.14839	6.0
189.12738	2.8
191.14200	2.3
193.12233	6.0
195.11647	3.5
197.13260	3.8
199.14793	1.8
201.12750	2.8
203.06726	1.5
203.14355	2.3
207.13779	3.2
211.14830	4.0
213.16423	3.6
215.17859	9.5
219.13849	2.7
219.17366	3.4
221.15384	8.0
229.19453	3.2
231.17438	3.4
233.15355	3.2
233.18991	6.0
239.17940	3.5
243.17186	1.8
247.16940	3.1
247.20541	5.5
257.19031	7.2
267.15839	4.8
269.19193	1.8
275.20016	58.0
287.20224	2.7
289.17975	7.6
293.21109	9.0
307.19260	3.1
307.22629	24.6
349.23721	14.5
367.24792	2.6
397.12848	1.6
459.82538	2.0
473.32941	1.8
581.41992	17.9
599.42963	52.6
600.42914	3.4
621.77191	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02623	0.5
53.03943	1.3
53.64212	0.5
55.01863	0.8
58.06592	1.2
69.07046	0.6
70.06573	0.7
74.09677	0.5
75.04469	0.6
77.03915	1.3
81.07035	0.7
85.02895	1.3
91.05462	1.5
94.06554	0.9
95.04955	7.6
97.06511	0.6
105.03376	47.6
105.04388	2.7
105.07027	0.5
108.08102	1.7
109.06498	0.6
117.07004	0.7
121.08913	0.9
126.09120	2.1
129.06963	0.7
132.08147	0.7
133.08858	4.0
134.09636	45.5
135.10378	2.1
138.09129	0.9
145.08809	1.1
146.09647	1.3
149.54257	0.5
153.06898	0.6
155.08568	0.6
157.08888	0.6
158.09639	6.0
159.10440	0.7
162.09148	0.9
164.10773	0.9
165.06982	0.6
167.08417	0.9
168.08080	2.0
169.08783	0.7
170.09686	1.8
171.10495	0.6
172.11205	0.9
179.08519	1.1
181.06392	0.6
181.08795	1.1
181.10182	0.7
182.09650	1.5
183.10385	0.6
184.07533	1.1
184.11232	0.8
186.09140	1.8
187.09892	0.8
188.10698	1.3
190.12274	1.0
191.08670	0.7
192.84799	0.5
193.10153	0.6
194.09673	0.7
196.11137	1.3
198.09145	1.5
200.10762	1.1
202.07658	0.7
206.09605	0.8
208.11214	1.1
210.12801	2.1
210.29993	0.6
211.09901	1.1
212.10658	1.1
218.09813	0.6
220.11253	1.7
222.09175	0.8
224.10619	1.3
226.12202	1.2
228.10167	0.7
236.10678	1.9
237.11444	0.7
238.12181	6.0
240.13979	0.7
242.11621	0.8
242.15367	0.8
248.10745	2.2
252.13788	1.1
254.11685	0.9
256.13373	0.7
262.12241	1.1
264.10013	0.6
266.11719	4.9
268.13257	0.9
270.14777	2.5
280.13287	2.3
284.12808	0.8
284.16220	0.7
288.15884	0.7
296.12888	0.6
298.14410	5.7
300.12137	0.6
312.16025	1.3
312.45917	0.7
314.13892	0.7
326.17511	1.7
330.16885	2.9
330.20602	1.8
358.16046	0.9
358.20078	6.6
388.15439	3.7
392.18741	1.1
402.16995	1.6
414.05505	0.6
420.18005	30.7
421.18460	1.1
448.21173	3.0
452.20615	40.4
453.20654	1.3
476.20697	0.9
480.23996	5.5
508.23227	6.4
540.25873	44.2
541.26025	2.5
568.25153	5.5
600.27863	100.0
601.28217	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	600.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.0
56.79874	0.5
58.06595	12.2
61.10007	0.6
69.03422	0.9
69.16018	2.9
69.16436	0.8
70.06576	1.2
72.08131	0.8
75.04472	2.1
79.05492	1.1
81.07050	0.9
85.02896	0.7
86.03663	0.6
87.04458	0.7
88.07626	0.9
91.05482	1.7
92.59083	0.7
96.08121	1.3
98.23429	1.1
105.07047	2.2
108.08134	1.3
109.06509	0.9
111.04383	0.7
111.08115	0.7
115.05472	1.0
117.06999	1.2
121.06469	0.9
122.09689	1.6
123.04476	0.6
127.03952	0.6
128.06245	0.8
129.07018	2.5
137.05942	1.9
138.09186	0.7
139.03888	0.7
141.07028	0.7
143.08566	0.8
144.05687	0.6
145.06418	0.8
147.04324	0.5
147.07982	0.8
149.06032	1.0
151.03903	0.7
152.10725	1.8
153.07028	0.9
154.12245	0.8
155.08560	1.3
157.06523	1.0
158.09659	1.6
159.08081	1.0
159.10423	0.7
160.11205	1.8
163.03938	1.1
165.06958	1.3
166.07832	0.8
167.08592	0.7
172.11241	1.0
178.07808	1.6
179.08549	2.8
181.06526	0.8
181.10196	1.4
183.07988	0.9
184.11256	0.9
185.09758	0.6
187.07663	0.6
190.07771	0.8
190.12369	0.6
191.08594	1.2
193.10135	1.3
195.07991	1.0
197.09724	0.9
202.07674	0.8
202.12254	0.7
203.08621	2.0
205.10121	1.5
207.08006	2.8
209.09641	1.1
211.07484	0.9
214.12296	2.3
218.07262	0.6
219.08141	0.6
221.09657	1.9
223.07468	0.7
225.09090	1.1
231.08138	0.8
233.09764	1.0
234.14874	0.7
235.07611	1.0
237.09113	1.4
238.09773	0.9
239.10773	1.1
248.08308	0.8
249.09174	1.8
249.50079	0.6
253.08467	0.9
263.10709	1.5
265.12180	0.8
267.10300	0.9
268.13376	0.6
277.08594	1.1
292.13464	0.6
352.15286	1.2
388.21069	4.0
390.19122	0.6
416.20737	2.5
417.20712	0.6
420.23727	1.3
448.23157	9.4
476.23059	0.7
480.25900	7.6
508.25394	3.9
540.28003	19.0
541.28430	0.7
600.30060	100.0
601.30438	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	600.3159
Annotation	Delphinine
Peak:m/z	Relative Intensity
51.02375	0.4
52.48802	0.2
53.03936	0.7
55.01880	0.4
55.05490	0.3
56.05028	1.8
58.06592	4.5
59.05009	0.3
67.05505	1.0
69.19268	1.2
70.06570	0.4
71.04962	1.4
72.08147	0.5
73.20072	0.2
75.04485	0.6
77.03934	0.8
79.05493	1.2
80.05013	0.4
81.03432	0.4
81.07053	0.5
82.06588	0.7
84.08132	1.9
85.02877	1.7
86.09702	0.4
88.07640	0.4
91.05468	2.7
93.07049	0.9
94.06567	0.8
95.04955	4.2
95.08602	0.3
96.08127	1.0
97.06525	0.3
98.09687	0.2
100.07683	0.3
101.05965	0.3
103.05447	0.4
105.03377	23.6
105.04535	1.6
105.07013	1.2
106.03754	0.4
107.04975	0.5
108.08105	1.9
109.06509	1.5
110.09663	0.7
111.08098	0.5
112.07632	0.7
114.09104	0.3
115.05441	0.6
116.06271	0.3
117.07038	1.0
119.04958	1.0
119.08564	0.4
121.06535	1.2
121.08866	1.8
122.09635	2.3
123.04456	0.3
123.08060	0.4
124.07607	0.9
125.06030	0.2
128.06241	0.8
129.06990	2.8
130.31572	0.3
131.08582	0.8
133.06474	0.4
133.08827	0.2
134.09680	1.1
135.08092	0.7
136.07632	0.4
137.06001	1.2
138.09177	0.8
140.10657	0.3
141.06958	1.7
142.07788	0.3
143.08533	1.3
145.06538	0.6
145.08948	0.4
146.09683	0.8
147.08046	0.5
148.07541	0.3
149.05986	0.2
151.07559	0.7
152.06207	0.4
152.10703	0.8
153.06917	1.3
154.07703	0.4
154.08772	0.4
155.07474	0.3
155.08485	1.5
156.08182	0.3
157.06468	0.5
157.10243	0.6
158.09598	1.3
159.08038	2.0
159.10410	1.4
160.11227	0.9
161.09596	0.6
162.40385	0.3
165.06909	1.3
166.07755	0.4
167.08549	1.6
169.06560	0.4
169.10165	0.4
170.07355	0.3
171.08107	0.6
172.11270	0.9
173.09677	0.5
174.12805	0.4
175.42847	0.3
176.10715	0.4
178.07829	1.0
179.08517	1.7
180.09470	0.4
181.10193	1.0
182.10040	0.5
182.11826	2.4
183.08063	0.6
184.11176	1.6
185.09651	0.7
185.12019	0.9
186.12877	1.0
190.07765	0.5
190.12303	0.4
191.08432	1.3
192.09383	0.4
193.10123	1.7
195.08063	0.6
195.11731	0.7
196.11182	0.5
197.09622	0.5
197.12083	0.4
198.12872	0.7
200.14285	0.3
202.07706	0.8
202.12357	0.6
203.08655	1.2
203.10535	0.2
204.09219	1.4
205.10127	1.9
207.07996	0.4
207.11723	0.8
208.08719	0.3
209.09583	0.3
210.12863	0.8
211.13603	0.5
212.10756	0.3
214.12363	0.3
215.08543	0.4
216.09430	0.6
216.13934	0.3
217.10149	0.6
218.11009	0.3
219.11740	1.5
221.09668	0.8
222.12726	0.4
223.11282	0.4
229.10118	0.7
231.11781	0.7
233.09676	0.6
233.13326	0.4
234.10551	0.3
235.11247	0.6
236.14536	0.3
237.12830	0.4
242.11842	1.1
243.11853	0.3
245.09521	0.3
247.11203	1.0
248.14333	0.4
249.12845	0.6
251.14478	0.5
261.12772	0.4
262.15912	0.4
264.52777	0.3
265.12323	0.4
266.15601	0.3
279.13858	0.7
280.13577	0.3
286.15771	0.3
292.17001	0.4
293.15256	0.3
294.15103	0.3
294.18475	0.3
296.16589	0.3
304.16888	0.6
310.18149	0.6
322.14539	0.6
322.18033	0.3
336.19583	0.7
340.18881	0.4
342.20901	0.3
354.20828	0.3
358.20370	0.4
370.20258	0.7
382.20090	0.4
396.21701	1.3
402.22836	0.6
414.22598	2.3
428.24390	1.7
446.25259	2.6
452.20450	0.3
460.27020	0.4
478.28189	1.4
480.23978	0.5
492.24026	0.3
508.23715	0.8
518.25470	1.4
536.26862	0.7
540.25629	1.6
550.28119	3.9
568.29260	1.5
582.30688	0.8
600.31671	100.0
601.32080	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	600.3162
Annotation	Delphinine
Peak:m/z	Relative Intensity
56.05032	0.8
58.06332	0.4
58.06594	4.5
67.05499	0.6
68.87914	0.5
69.23835	1.5
69.24233	1.0
71.04985	1.3
72.08140	1.7
75.04473	1.6
77.03936	0.4
79.05488	0.9
80.05015	0.4
91.05447	2.7
93.07028	0.6
95.04972	1.7
95.33111	0.4
97.06522	0.6
102.47815	0.4
103.05447	1.2
105.03384	6.1
105.04472	0.5
105.07030	1.7
108.08113	1.4
109.06511	1.2
110.09690	0.6
110.88308	0.4
115.05424	1.0
117.07012	1.2
119.08536	0.5
121.06476	1.9
122.09664	1.3
128.06206	0.8
129.07007	1.5
131.08559	1.1
133.06493	0.7
134.09662	0.6
135.08063	2.4
135.20506	0.4
139.16792	0.4
140.10782	0.5
140.18095	0.4
141.07002	1.7
143.08553	0.9
145.06505	1.0
147.08037	1.5
151.07590	0.5
152.10719	1.4
153.06927	0.6
155.08556	1.6
158.07333	0.5
158.09608	0.6
159.08089	1.1
160.11234	0.8
161.09660	0.5
165.06990	1.8
166.07758	0.7
167.08551	1.7
169.10231	0.7
171.08051	0.9
172.11188	0.5
173.08260	0.5
173.09612	0.8
177.09142	1.1
178.07741	1.1
178.12297	0.5
179.08591	1.6
181.10158	0.7
183.08041	0.5
185.09567	1.0
190.07751	0.5
190.12337	0.5
191.08594	1.8
192.09349	0.7
193.10110	1.9
195.08096	0.5
197.09546	0.6
201.09248	0.5
202.07748	0.9
202.12183	0.5
203.08504	2.1
204.07483	0.4
204.09259	1.8
205.10066	2.5
207.11717	0.9
208.09012	0.7
209.09615	0.8
210.12769	0.7
215.08591	1.1
216.09352	0.9
217.10109	1.1
218.10927	0.7
219.11703	1.8
221.09532	0.9
223.11256	0.8
227.10519	0.5
228.09355	0.8
229.10164	1.6
231.11757	1.2
235.11209	1.2
236.14436	0.5
237.12686	0.5
246.12860	0.4
247.11122	1.0
248.14413	0.5
249.12807	1.2
251.14388	1.1
260.14343	0.5
261.12753	1.1
263.14026	0.5
268.17261	0.6
274.16028	0.6
278.15323	0.4
279.13831	0.8
282.18448	0.5
293.15375	0.6
294.18738	0.5
297.14832	0.5
304.17023	0.8
310.18170	0.7
318.18369	0.9
322.18048	0.8
328.18970	0.7
336.19595	1.2
340.19138	0.8
342.20651	1.7
350.21155	1.1
354.20667	1.1
368.22235	1.1
370.20154	3.3
378.20395	0.5
384.21533	0.4
386.23294	0.6
396.21884	0.9
402.22928	0.5
406.57043	0.5
410.23141	2.0
414.22830	1.1
416.24338	1.8
428.24350	4.2
442.25870	6.1
446.25372	2.8
460.26892	11.4
461.27100	0.5
478.27917	24.0
479.28323	1.3
530.56219	0.5
564.28894	0.5
582.30414	0.8
600.31580	100.0
601.31946	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	600.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14384	0.4
53.03947	0.5
56.05037	1.8
58.06594	6.5
59.04995	0.6
61.91465	0.5
67.05488	0.7
69.17455	2.2
69.17862	1.1
70.06609	0.9
71.04984	0.9
72.08159	1.3
75.04476	1.0
77.03934	1.4
79.05500	1.1
81.03407	0.7
84.08137	0.8
87.91908	0.5
88.64157	0.5
89.93476	0.5
90.85340	0.4
91.05473	1.9
93.07053	0.5
95.04946	3.7
96.08163	0.5
98.09669	0.8
102.09152	3.5
103.05513	0.8
105.03378	25.4
105.04491	1.1
105.07050	1.4
107.08557	0.4
108.08106	2.0
109.06516	0.7
110.09676	0.5
115.05431	1.2
117.07021	0.7
122.09641	0.7
124.11233	0.6
128.06180	0.8
128.10745	0.8
129.06944	2.4
134.09644	0.6
135.08083	1.1
137.06017	0.5
141.06998	1.3
143.08580	0.6
147.04349	0.5
147.08058	0.7
152.06253	0.6
152.10689	0.9
153.07001	0.5
154.12320	0.7
155.08615	0.9
157.10310	0.4
158.09610	0.8
159.08087	0.7
160.11220	0.8
164.10823	0.5
165.06969	0.7
167.08583	1.5
169.10202	0.5
171.08098	0.7
173.09694	0.7
178.07782	0.7
179.08594	1.3
181.10078	0.7
184.11261	0.9
191.08653	0.7
193.10133	0.5
197.09720	0.6
199.11044	0.6
203.08604	1.3
204.09450	0.6
205.10016	0.9
211.52412	0.5
217.10080	0.6
219.11748	0.7
221.09666	0.7
221.13527	0.6
223.11223	0.5
229.10114	1.0
232.08928	0.6
233.09557	0.5
235.11176	0.8
247.11069	0.7
249.12881	0.8
251.14388	0.5
261.12823	0.7
267.13638	0.6
279.13818	0.9
294.18472	0.7
326.21201	1.7
336.19574	0.8
354.20554	5.8
368.22171	0.6
370.20132	0.8
386.23315	0.9
410.23145	1.2
416.23996	0.6
428.24310	1.9
442.25797	3.3
446.25360	1.3
448.25018	1.4
460.26758	5.1
476.24161	4.9
478.27924	10.2
480.27707	1.0
508.26950	6.3
540.29462	5.7
551.43250	0.5
568.28809	0.9
600.31567	100.0
601.31958	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	600.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54962	0.3
56.05019	1.5
57.05353	0.4
58.06592	5.5
58.06862	0.4
59.04999	0.5
59.06920	0.4
60.50837	0.3
64.72962	0.3
67.05489	0.4
68.88477	0.3
69.10942	0.7
69.11346	1.4
70.06593	0.8
71.04993	1.2
72.05312	0.4
72.08148	2.9
73.08488	0.7
75.04462	1.9
77.03935	0.4
79.05489	1.7
81.07043	0.5
81.45581	0.3
84.08136	0.7
85.06550	0.5
88.07639	0.5
91.05472	2.6
92.05788	0.6
93.07040	0.7
94.06593	0.6
95.04951	2.2
96.05323	0.5
96.08136	0.5
97.06563	0.5
98.09705	0.7
98.23451	0.5
102.09162	2.8
102.18004	0.3
103.05494	0.9
105.03378	9.2
105.04514	0.6
105.07016	1.9
106.03133	0.5
106.03713	2.1
106.06560	0.3
106.07349	0.7
108.08140	2.4
109.06553	0.8
109.08464	0.4
115.05446	0.6
117.07033	1.2
118.07395	0.5
119.08568	0.5
121.06525	0.9
122.09721	1.1
124.11238	0.4
128.06232	0.6
128.10706	0.7
129.07019	2.0
130.07355	0.6
131.08594	0.9
132.08972	0.4
133.06544	0.6
135.08112	1.1
136.08447	0.5
141.07021	1.2
143.08606	0.9
145.06531	0.4
145.10121	0.4
146.06898	0.3
147.08078	1.4
148.11249	0.4
152.10696	0.8
153.06966	0.6
154.07622	0.3
154.12364	0.6
155.08572	1.4
155.12608	0.4
156.08990	0.9
157.10185	0.5
158.07268	0.3
158.09657	1.0
159.07985	0.6
160.11302	0.5
161.09669	0.5
165.07071	0.8
166.07497	0.6
167.08514	0.9
169.10185	0.3
172.11223	0.6
173.09657	0.6
173.11664	0.6
177.09145	0.7
178.07828	0.6
178.09399	0.5
178.12227	1.0
179.08516	1.4
180.09113	0.4
180.11147	0.3
180.12975	0.3
181.10031	0.4
182.10541	0.5
183.08167	0.3
184.11255	0.6
185.09653	0.6
186.10138	0.4
186.12802	0.7
191.08554	0.6
192.09137	1.0
193.10065	0.8
194.10431	0.3
195.08185	0.3
197.09612	0.3
198.10059	0.4
199.11203	0.4
202.07780	0.7
203.08646	1.1
204.09097	0.9
205.10083	1.6
206.10460	0.9
208.12103	0.4
209.09613	0.4
211.11267	0.5
215.08699	0.7
216.09331	0.9
217.10005	0.9
218.10394	0.5
219.08202	0.4
219.11632	1.1
220.12114	0.5
221.13145	0.3
222.10364	0.4
223.11131	0.5
228.09340	0.4
229.10214	0.3
231.11714	0.8
232.11951	0.9
233.13225	0.4
235.10924	0.4
236.11603	0.4
237.12468	0.4
237.14804	0.4
238.12753	0.3
243.68526	0.3
245.13550	0.3
247.13474	0.4
249.12756	0.9
250.12930	0.5
251.14322	0.4
262.15701	0.5
263.14261	0.5
264.14575	0.4
265.15100	0.7
276.17392	0.6
292.17084	0.4
294.18457	0.7
321.20621	0.5
326.21121	0.7
339.21692	0.7
342.20474	0.4
353.23206	0.4
354.20615	1.2
368.21970	0.6
371.24368	0.6
380.22739	0.4
381.22662	0.7
382.23160	0.7
400.24869	0.4
402.16650	0.3
412.24921	1.2
413.25104	2.8
414.25369	4.7
416.24545	0.9
417.24496	2.0
418.25003	2.6
430.25247	0.4
444.27310	4.5
445.27713	11.2
446.28049	19.6
453.24762	0.5
460.26730	1.6
476.24335	1.1
476.29883	1.5
477.30362	8.7
478.30780	17.7
508.26962	2.3
512.26923	0.8
540.29407	1.7
552.91876	0.3
568.31482	0.6
599.33862	3.3
600.33984	100.0
601.33386	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	600.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.72295	0.4
56.05016	0.7
56.08344	0.3
56.94605	0.4
57.39157	0.4
58.06595	6.2
59.96070	0.5
63.98409	0.5
67.05499	0.6
67.54724	0.4
69.10806	2.0
69.11210	0.8
69.43287	0.4
70.06582	0.7
71.04974	1.2
72.08153	1.2
74.15303	0.5
75.04471	1.2
76.02229	1.1
77.03945	0.5
79.05496	1.0
81.35492	0.4
84.08130	1.0
88.07619	0.9
91.05491	2.6
91.05961	0.5
93.07043	1.0
94.06570	1.5
95.04961	3.3
98.09694	0.8
98.22673	0.6
102.09172	2.2
103.05480	0.8
105.03381	20.2
105.04495	0.9
105.07027	1.6
107.04987	0.4
108.08125	2.9
109.06509	0.8
115.22391	0.4
117.07005	1.1
121.06484	0.8
122.09651	0.9
128.06195	0.6
129.07010	1.9
131.08600	1.0
132.08099	0.5
135.08084	0.5
137.06023	0.5
141.07027	1.1
142.07796	0.4
143.08589	1.2
145.06523	0.8
146.09607	0.5
147.08121	0.5
148.11214	0.4
149.06003	0.6
152.10767	0.5
153.06985	0.7
154.07768	0.4
154.12231	1.0
155.08571	1.4
158.09702	0.5
159.08066	0.8
160.07645	0.6
164.10745	0.7
165.06978	1.0
165.11401	0.4
167.08588	0.6
172.11267	0.8
178.07803	0.5
179.04865	1.4
179.08537	1.5
181.10133	0.5
183.08014	0.7
186.12895	0.5
191.08549	1.1
192.09271	0.6
193.10135	1.0
195.11703	0.5
200.14418	0.7
202.07837	0.6
203.08536	1.2
204.09355	0.5
205.10141	1.5
206.15382	0.5
207.11638	1.0
211.11214	0.7
215.08484	0.5
216.09373	0.5
219.11736	1.1
221.09671	0.6
229.10039	0.7
231.11644	0.9
234.10336	0.5
245.17749	0.5
247.11111	0.5
249.12810	0.5
251.14326	0.6
279.13861	1.1
279.16888	0.4
322.17926	0.9
326.17535	0.8
326.21271	1.8
340.18945	0.8
354.20752	2.7
355.21179	0.6
368.22345	1.2
375.64798	0.4
386.23291	1.6
396.21655	1.2
400.25037	2.1
418.25772	2.8
428.24103	2.2
442.25906	0.9
444.21533	0.5
446.25385	1.2
460.26868	5.4
476.24280	6.3
478.27991	11.1
479.28690	0.9
480.23950	1.7
508.26880	11.1
509.27084	0.7
540.29535	7.6
541.29895	0.5
568.28937	1.5
600.31580	100.0
601.31995	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	600.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
56.05025	3.7
57.03431	1.2
58.06591	5.3
59.04977	0.4
61.02919	1.7
67.05489	1.0
68.05017	0.5
69.03422	5.5
69.26820	1.0
69.27233	1.2
71.04981	1.8
72.08138	2.2
73.02907	1.6
75.04468	0.8
79.05507	0.9
80.05020	0.6
81.03410	2.0
81.07038	0.7
82.06576	1.2
84.08129	0.9
85.02895	8.2
87.04459	1.2
88.07597	0.4
91.05451	2.4
92.77563	0.4
93.07016	1.2
96.08117	1.5
97.02874	2.7
98.09666	0.8
98.23502	0.8
101.02361	0.5
102.09162	1.3
102.86906	0.5
105.07020	1.3
108.08112	6.1
109.02892	1.2
112.64644	0.4
114.09137	3.9
117.07006	1.0
119.08579	0.7
121.06531	0.4
121.08906	0.5
122.09629	2.1
124.11208	1.1
127.03918	1.3
128.10744	0.5
129.07014	1.5
131.08582	1.7
141.07004	1.4
143.08549	1.9
145.04942	0.5
145.06572	0.5
145.10188	0.5
146.09673	0.6
152.10687	0.5
153.06947	0.5
154.12259	1.2
155.08554	1.6
157.10139	0.8
161.09511	0.4
165.06975	0.6
167.08559	1.5
169.10123	0.9
171.11696	0.6
172.11110	0.4
174.12753	1.3
179.08571	1.1
181.10172	1.4
183.11684	0.5
186.12756	0.9
193.10121	0.8
195.11687	1.0
197.13269	1.5
207.11790	1.0
209.13277	0.5
213.12897	0.6
225.12733	1.4
243.13843	1.3
249.12845	0.5
281.15454	0.7
356.22205	2.2
360.21625	1.2
374.23190	1.4
381.39606	0.4
388.24796	4.0
402.26031	0.7
406.25854	3.4
420.27390	6.9
438.28430	15.8
439.29068	0.6
522.26605	1.4
550.30353	2.1
582.32623	21.6
583.33240	0.9
600.33698	100.0
601.34027	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	600.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.01867	0.5
55.05506	0.4
55.63177	0.3
57.03430	0.9
58.06585	1.6
59.04973	0.4
61.02929	1.0
63.10629	0.3
65.24100	0.3
67.05499	1.2
67.89185	0.3
69.03422	4.2
69.07066	0.5
69.13866	1.6
69.14268	0.7
69.76337	0.3
70.06593	0.6
71.04986	0.6
72.00245	0.3
72.08145	2.5
73.02923	1.3
77.73193	0.3
78.69742	0.3
79.05477	1.7
79.18859	0.3
80.23226	0.3
81.03435	1.0
81.07050	2.5
84.08121	0.6
85.02895	5.8
85.06548	1.5
87.04464	1.0
91.03951	0.4
91.05486	0.9
93.07018	0.5
95.04974	0.4
97.02867	1.8
97.06533	0.9
98.23405	0.9
99.04445	0.5
99.08071	1.7
102.09166	0.4
102.50773	0.3
105.07042	0.4
107.12830	0.3
108.08114	0.7
109.02876	0.7
109.06529	1.3
110.09711	0.4
117.07005	0.5
119.08609	0.5
122.09686	0.6
127.03922	1.2
128.15918	0.4
129.05530	0.4
131.08569	0.5
142.83974	0.4
148.11226	0.7
155.08540	0.4
160.11224	0.5
162.09050	0.3
164.10735	0.4
166.12474	0.4
171.60974	0.3
172.11217	0.6
174.12779	0.5
175.10019	0.5
176.10625	0.6
178.12172	0.4
186.12801	0.7
200.14384	0.3
204.13940	0.5
208.13411	0.5
214.15906	0.6
216.13876	0.4
218.15477	0.5
220.13373	0.6
222.14819	0.4
230.15465	0.4
234.15067	0.4
242.15402	0.5
244.16920	0.5
256.17108	0.7
258.18518	1.1
260.16550	0.7
260.20050	0.5
264.16132	0.5
266.17508	0.5
266.64246	0.3
272.16565	0.4
272.20142	1.1
274.17914	0.5
286.18170	1.0
288.19522	0.8
290.17621	0.5
292.19186	0.6
298.17957	0.4
300.19785	0.6
302.17740	0.4
302.20956	0.5
304.19153	1.4
306.20682	0.5
310.17700	0.3
314.17743	0.4
314.20966	0.6
316.18991	0.9
318.20691	1.4
328.19113	0.9
330.20551	0.5
334.20203	0.9
342.20718	1.3
344.22214	0.5
348.21722	2.0
350.23337	0.6
356.22229	0.9
360.21640	4.8
362.23380	0.9
374.23123	3.1
382.13232	0.3
388.24820	3.5
392.24527	0.6
406.25876	11.8
406.31143	0.6
420.27295	1.1
436.23361	0.4
438.28595	10.3
466.24518	1.3
480.25952	1.1
496.25168	0.7
510.26843	2.1
522.27057	3.6
540.29150	0.5
550.30353	0.4
554.29578	1.2
568.31061	3.2
600.33728	100.0
601.15240	0.7
601.34027	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	0.7
55.05497	0.3
56.05029	5.0
57.03429	2.0
58.06592	6.4
59.04994	0.5
61.02660	0.2
61.02919	2.1
67.05486	1.3
68.05025	0.4
69.03054	0.4
69.03419	7.0
69.90150	0.6
70.06589	0.5
71.01337	0.3
71.04984	2.5
72.08144	2.2
73.02903	2.3
75.04467	1.2
79.05480	1.3
80.05012	0.8
80.69902	0.2
81.03403	2.2
81.03825	0.2
81.07035	0.8
82.06564	1.9
83.01316	0.4
83.04956	0.2
84.08128	1.2
85.02892	11.0
85.06556	0.2
87.04467	1.5
88.07614	0.5
91.03931	0.5
91.05471	2.5
93.05743	0.2
93.07039	1.7
94.06553	0.3
95.04982	0.6
95.08617	0.3
96.08119	1.9
97.02873	4.0
98.09659	1.5
98.22787	0.3
99.04443	0.8
101.02380	0.5
102.09160	1.7
103.05458	0.3
105.07023	1.8
107.08585	0.3
108.08099	7.2
109.02869	1.3
109.06512	0.4
110.09675	0.5
111.08134	0.2
112.07577	0.5
114.09154	4.5
115.03893	0.2
115.05458	0.4
117.06974	1.6
119.04908	0.2
119.08572	0.9
120.08129	0.3
121.06468	0.3
121.08903	0.5
122.09647	2.4
123.08035	0.3
124.07567	0.4
124.11211	1.1
127.03886	1.5
127.52831	0.2
128.06207	0.8
128.10716	0.6
129.06995	2.4
131.08548	1.8
133.06505	0.5
134.09639	0.6
135.08055	0.3
135.10429	0.4
136.11243	0.3
141.06963	1.8
142.07762	0.3
143.08548	2.6
145.05006	0.3
145.06476	0.5
145.10107	0.5
146.09628	0.4
147.08066	0.6
148.11208	0.7
150.12689	0.2
152.10683	0.7
153.07008	0.7
154.12227	1.1
155.08522	2.3
155.82986	0.2
157.06505	0.5
157.10095	1.0
158.09662	0.5
159.08072	0.8
160.11223	0.7
161.09628	0.4
162.12891	0.3
164.10730	0.3
165.07002	0.7
166.07764	0.6
167.08524	1.6
168.09326	0.2
169.10115	1.7
171.08101	0.5
171.10364	0.2
171.11687	0.9
172.11255	0.6
173.09607	0.3
173.11998	0.3
174.12720	1.4
176.10588	0.3
178.07816	0.5
179.08521	1.3
180.09346	0.4
181.10045	1.3
182.10918	0.2
183.08099	0.3
183.11697	0.7
185.09612	0.4
186.12769	0.8
190.12245	0.4
191.08565	0.4
192.09348	0.8
193.10127	1.1
195.08003	0.3
195.11682	1.2
197.09581	0.5
197.13264	1.5
198.12857	0.2
199.11203	0.5
203.08583	0.3
204.13928	0.3
205.10132	0.6
207.08063	0.2
207.11691	1.3
209.13307	0.5
211.11235	0.4
213.12746	0.6
215.14304	0.4
217.10124	0.3
219.11674	0.3
221.09637	0.3
221.13278	0.9
223.11295	0.5
224.14479	0.2
225.12733	1.4
231.11716	0.2
233.13222	0.4
235.11165	0.4
235.15060	0.2
237.12761	0.3
238.15831	0.2
239.14322	0.5
242.15320	0.2
243.13797	1.7
249.12810	0.5
251.14394	0.5
253.15895	0.3
265.18463	0.2
267.13760	0.5
269.15366	0.2
273.14993	0.2
275.16370	0.5
280.16959	0.3
284.16428	0.3
298.17917	0.3
299.16336	0.3
300.19653	0.4
306.18582	0.3
307.19202	0.2
308.20148	0.3
310.18015	0.5
311.19006	0.3
312.19504	0.4
314.21143	0.4
324.19693	0.9
326.20905	0.3
328.19165	0.4
328.22534	0.2
330.20575	0.5
342.20694	0.7
344.22260	0.5
356.22162	2.6
358.23886	0.3
360.21658	1.5
361.22546	0.2
362.23221	0.4
374.23132	1.5
388.24756	4.4
392.24240	0.4
402.26276	0.4
406.25778	4.8
420.27380	8.4
421.27469	0.4
438.28448	19.2
439.28781	0.7
487.04089	0.3
492.26102	0.3
504.25485	0.4
518.27649	0.3
522.26837	2.6
536.28473	1.2
550.29913	2.0
554.29364	0.8
564.31775	0.4
568.30835	0.3
582.32629	22.0
583.33282	1.0
600.33673	100.0
601.33984	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	600.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16785	0.3
53.03944	0.6
55.01885	0.4
57.03432	0.8
58.06593	27.9
61.02920	1.5
67.05500	0.5
69.03422	4.5
70.35008	0.8
71.01375	0.5
71.04990	1.5
72.08144	0.6
73.02914	1.3
79.05505	0.9
81.03417	1.1
81.07067	0.6
84.08127	0.5
85.02885	4.1
87.04468	0.7
89.38194	0.3
91.05464	1.7
92.13879	0.3
93.07069	1.3
95.04941	0.7
97.02855	2.3
98.09669	0.9
99.04452	0.7
103.05466	0.4
105.07043	1.1
108.08121	0.6
109.02856	0.5
109.06486	0.3
117.07003	0.8
119.08624	0.5
121.06444	0.6
122.09694	0.8
123.04393	0.6
127.03905	0.5
128.06273	0.7
128.10701	0.4
129.07008	0.8
131.08597	1.4
137.05992	0.8
141.07014	1.4
142.07823	0.4
143.08568	1.7
147.08060	0.9
153.06955	0.6
154.07785	0.7
154.12282	0.8
155.08569	1.0
157.10144	1.4
159.08052	1.0
165.07039	0.8
166.07796	0.4
167.08536	0.9
169.10161	1.4
171.07988	0.9
173.09610	0.9
179.08589	1.0
181.10138	1.3
183.07983	0.5
185.09630	0.6
191.08578	0.5
193.10188	1.0
195.11685	0.8
197.09587	0.6
205.10190	0.9
207.11757	1.1
209.09550	0.4
209.13452	0.4
211.11299	0.5
216.09294	0.4
217.10205	0.4
219.11693	0.7
221.13306	0.8
223.11237	0.8
225.13017	0.4
231.11618	0.5
233.09554	0.4
233.13222	0.8
237.12724	0.5
239.14317	1.5
249.12675	2.3
251.14299	0.5
261.12735	0.6
267.13776	1.9
279.13940	0.4
281.15121	0.6
293.15280	0.6
299.16425	0.9
311.16333	0.5
342.20633	0.7
356.22028	1.7
388.24750	3.5
406.25870	3.8
420.27557	1.4
426.02109	0.4
438.24109	0.7
438.28909	1.2
568.31195	2.4
600.33710	100.0
601.25537	0.6
601.34027	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	2.4
51.02386	2.0
53.03937	6.6
55.01868	10.3
55.05249	2.4
55.05505	36.5
55.60889	1.4
56.05846	4.1
57.03435	3.7
57.07080	9.5
59.04997	2.1
61.59606	1.8
65.03938	5.3
67.05496	60.8
68.05828	5.4
69.03413	14.5
69.07058	26.6
70.07408	1.9
71.04980	6.6
77.03912	4.0
79.05483	77.6
80.05833	9.8
80.06243	2.8
81.03419	3.6
81.07047	59.3
82.07380	5.9
83.04967	19.0
83.08608	20.0
84.05324	1.9
84.08933	2.0
85.02914	3.6
85.06551	7.5
87.04469	3.4
89.06033	5.2
91.05466	74.9
91.77195	1.4
92.05786	10.3
93.07034	100.0
94.07371	13.1
95.04956	57.0
95.08595	45.8
96.05289	5.3
96.08953	3.7
97.06521	10.7
97.10168	6.5
99.04455	5.7
99.08101	3.7
103.05458	3.2
105.04501	4.3
105.07018	84.2
106.07297	6.9
107.04939	10.0
107.08581	58.2
108.08888	8.1
109.06513	18.3
109.10143	20.4
110.10484	3.5
111.04422	9.3
111.08050	7.6
115.05457	6.9
116.06270	2.2
117.07003	21.9
117.07791	1.9
119.04900	3.2
119.08567	65.1
120.08882	4.0
121.06496	15.2
121.10132	54.4
122.07283	1.5
122.10433	10.7
123.08064	22.6
123.11699	5.8
124.08412	2.2
125.05995	5.4
125.09629	11.4
126.09971	2.6
128.06209	11.6
129.06990	19.8
130.07776	5.3
131.08551	36.2
132.08980	2.4
133.06505	7.3
133.07587	2.0
133.08588	3.9
133.09091	2.1
133.10115	37.9
134.10474	3.4
135.08035	21.1
135.11670	17.8
136.12003	3.1
137.09616	10.3
139.07477	2.4
139.11165	3.9
141.07004	8.4
142.07799	19.2
143.08556	35.3
144.09293	6.9
145.06485	4.7
145.10115	54.1
146.07294	2.0
146.10567	5.2
147.08031	27.3
147.09120	1.9
147.11661	17.3
148.08484	2.4
148.12024	3.3
149.09605	23.3
149.13252	3.0
150.09976	3.3
151.07510	10.6
151.11212	3.7
153.06982	3.3
154.07713	1.9
155.08543	15.0
156.09328	14.9
157.10114	49.1
158.10793	7.4
159.08040	13.7
159.11665	26.9
160.08801	3.4
160.12090	3.0
161.09637	14.3
161.13232	9.7
162.10385	2.1
163.11176	20.0
164.11551	4.5
165.06984	4.8
165.09088	28.2
167.08568	6.0
167.10612	10.8
168.09314	4.7
169.10106	18.2
170.10876	7.7
171.08055	4.0
171.11658	27.6
172.12401	6.8
173.09616	9.5
173.13268	12.6
175.11177	18.6
175.14784	3.5
177.09041	3.5
177.12746	3.7
179.08551	6.5
179.10635	2.6
180.09311	6.4
180.11479	2.3
181.10115	9.2
181.12250	6.7
182.10919	5.8
183.11693	18.8
184.12437	3.0
185.09601	4.8
185.13229	16.9
186.10229	2.2
186.14029	2.2
187.11241	8.2
187.14833	5.0
188.11873	2.0
189.11188	5.1
189.12802	9.9
190.11784	1.7
190.13499	8.0
191.10681	3.2
191.14320	4.6
192.09375	3.6
193.10175	6.5
193.12263	8.1
194.10889	4.2
195.11674	14.9
196.12418	4.8
197.09628	3.8
197.11671	2.2
197.13248	12.8
198.10321	3.3
198.13919	3.1
199.11182	5.9
199.14825	6.9
200.11859	1.7
201.12671	4.1
203.10680	1.9
203.14261	16.7
205.10187	3.6
205.12230	4.3
205.15855	1.8
206.10876	3.4
206.12645	2.0
207.11708	12.4
207.13821	11.0
208.12401	4.0
208.14500	3.1
209.09714	2.7
209.13293	11.0
209.15190	2.7
210.13885	2.3
211.11287	5.7
211.14827	6.6
212.11942	3.0
213.12775	5.8
213.16393	3.6
214.13474	1.8
215.14302	4.2
215.18056	3.1
216.18236	1.9
218.10812	2.0
218.16594	1.9
219.11644	3.7
219.13771	4.0
220.12495	4.8
221.13272	8.2
221.15285	47.4
221.17398	2.5
222.13943	2.6
222.15884	2.2
223.13075	20.2
223.15196	3.0
224.11786	2.0
224.13570	9.4
225.12767	5.4
225.16380	3.3
229.15982	3.1
231.11639	2.8
233.13264	2.3
233.15285	17.6
233.18993	1.7
234.13914	2.8
234.16025	5.4
235.11089	2.1
235.14787	6.2
235.16896	1.8
236.15417	2.2
237.12672	3.5
237.14616	19.4
239.14461	2.6
239.17839	3.2
241.15891	3.1
245.13200	3.9
246.13977	1.9
247.14795	3.1
247.16949	7.2
248.14197	4.4
249.16473	5.8
251.14192	1.9
251.18236	2.0
253.15923	4.0
255.17407	13.2
257.18951	2.5
258.19308	2.7
259.14755	2.7
259.17175	2.3
261.16434	3.7
263.17993	3.0
265.16229	1.8
266.42804	1.8
267.17410	2.5
269.19165	3.8
270.19876	1.7
271.14575	2.1
271.17136	3.1
273.15964	2.0
273.18570	3.9
274.19275	6.1
275.20056	18.0
276.20398	13.0
279.17450	4.0
281.19058	3.1
285.18390	4.1
286.19342	8.3
287.20044	5.6
293.21124	6.7
294.21423	6.1
295.20477	3.4
297.18597	3.3
299.20148	7.7
303.19540	27.3
307.22928	2.3
308.23370	2.4
312.20889	4.4
313.21533	9.2
319.20636	2.1
325.21613	8.8
337.21634	4.9
349.23749	2.6
352.23911	45.1
353.24448	1.8
365.24802	10.9
375.26968	2.1
377.24704	1.6
383.25800	2.7
454.30814	1.8
487.32120	2.8
502.34653	7.9
503.35345	4.0
505.33188	3.1
507.34753	4.6
508.35120	3.1
520.35437	21.4
521.35632	1.5
582.41260	6.5
583.41370	2.4
585.38562	2.1
600.42914	52.1
601.43103	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	600.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01862	5.1
55.05507	24.1
57.07063	14.7
60.69626	4.3
63.67247	3.6
65.03914	5.4
67.05499	44.7
69.03423	19.0
69.07066	19.5
69.78525	16.5
79.05476	38.7
81.03402	4.5
81.07043	54.6
83.04978	10.5
83.08614	15.0
85.06521	4.6
89.06026	9.6
91.05469	64.0
92.05855	4.5
93.07033	75.0
94.07363	4.7
95.04951	31.4
95.08599	43.4
97.06515	15.1
97.10195	4.4
98.22693	6.6
105.07021	91.6
106.07340	6.6
107.04939	6.4
107.08577	63.5
109.06476	22.1
109.10149	18.4
110.10514	5.1
111.08059	6.8
115.05476	9.2
117.07006	22.7
119.08556	81.7
121.06499	14.0
121.10123	48.9
122.10470	4.3
123.08043	32.4
123.11683	9.0
125.05941	5.4
125.09657	9.0
128.06192	17.5
129.06985	21.0
130.07738	7.4
131.08537	44.5
133.06497	5.8
133.08562	7.9
133.10118	50.2
133.54550	3.8
134.07240	4.2
134.10434	6.2
135.08035	25.0
135.11665	14.4
137.09596	21.8
141.06976	11.1
142.07765	21.4
143.08543	52.1
144.09312	15.1
145.06503	6.7
145.10117	60.6
147.08038	32.4
147.11690	14.5
148.08763	4.6
149.09550	22.7
151.07510	24.0
151.11086	4.2
155.08548	17.0
156.09293	18.4
157.10107	63.0
158.10872	10.5
159.08043	15.1
159.11716	32.6
161.09610	21.7
161.13284	9.1
162.70248	4.3
163.11108	22.7
164.12871	4.3
164.79425	4.7
165.09096	41.1
167.08505	9.8
167.10661	15.9
168.09319	6.5
169.10106	26.8
170.10847	7.4
171.07951	5.2
171.11673	44.1
172.12361	9.3
173.09633	10.3
173.13260	15.6
175.11182	21.3
175.14818	5.9
177.12708	7.3
178.07782	4.7
179.08514	11.6
179.10643	8.6
180.09338	5.2
180.11383	4.9
181.10121	14.5
181.12267	8.7
182.10866	9.3
183.11676	22.0
184.12430	7.7
185.09538	4.7
185.13226	22.1
186.13945	6.3
187.11165	14.5
187.14766	7.5
189.12738	12.0
190.13493	8.2
191.10634	5.7
191.14264	4.6
193.10062	7.2
193.12256	13.0
194.10806	6.7
195.11670	27.5
196.12343	8.6
197.13229	22.1
198.13824	6.4
199.11177	10.8
199.14758	9.3
203.14250	33.5
205.10301	4.7
206.10963	6.5
207.11732	8.5
207.13699	8.9
208.12392	4.7
208.14565	5.7
209.13226	20.7
209.15198	7.1
210.14035	6.4
211.11235	8.6
211.14877	14.7
213.12769	11.7
213.16339	5.7
215.14307	7.7
217.15802	4.9
219.11725	9.5
219.13722	5.6
219.65843	4.9
221.13269	12.8
221.15315	100.0
222.15768	5.8
223.14876	7.2
225.12709	7.0
225.16368	8.3
227.14302	6.7
233.13229	7.3
233.15300	20.6
234.15942	8.8
235.14906	6.8
237.14648	26.6
239.14400	6.8
239.17979	5.0
243.11630	4.5
247.14804	5.4
247.16934	10.1
248.13992	7.0
249.16371	6.5
253.16000	6.8
255.17461	16.1
261.16318	5.1
271.16956	5.6
274.19128	11.7
281.18793	4.7
285.18488	9.8
286.19214	16.0
287.19968	9.4
295.20480	5.7
299.19992	10.2
303.19437	51.6
312.20554	5.5
313.21387	8.0
325.21628	15.1
337.21362	9.4
352.23938	80.9
365.24734	16.2
375.46777	4.4
502.34317	8.2
503.35007	8.0
505.32962	7.9
506.42200	4.1
507.34674	8.6
510.72183	5.2
520.35339	36.2
582.40295	7.6
600.41699	31.5
601.41443	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19339	13.1
55.05501	18.9
55.16379	14.2
56.84401	16.6
62.57759	14.9
67.05493	27.0
69.08318	100.0
81.07051	42.9
91.05461	36.9
93.07048	42.2
95.08600	33.9
100.16045	14.3
105.07037	31.0
106.30085	16.3
107.08610	28.3
109.10167	18.1
119.08592	17.3
121.10133	39.3
125.05975	19.6
133.10107	25.3
135.11691	17.3
136.58737	14.5
143.08536	19.2
144.09325	15.7
145.10049	22.3
147.09254	21.3
159.11673	25.8
163.11118	17.2
165.09077	31.5
169.15038	16.0
171.11501	16.5
172.12456	15.2
184.11986	13.9
195.23584	16.4
199.18826	16.4
203.14215	15.9
221.15379	58.8
306.72556	15.3
352.24066	21.8
411.10876	15.4
440.29749	18.6
600.41541	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01863	6.6
55.05503	25.0
56.81913	2.6
57.07070	7.2
57.10125	2.8
59.04993	6.0
59.85278	2.8
65.03931	4.2
67.05495	46.6
69.03420	13.0
69.07053	24.2
72.05318	2.8
77.03951	3.2
79.05484	37.6
81.03410	4.8
81.07047	52.2
83.04980	25.2
83.08611	11.3
85.06549	4.2
87.04497	3.0
89.06051	4.2
91.05466	65.7
93.07032	75.1
93.07588	5.0
94.07337	3.1
95.04954	30.7
95.08594	35.6
97.06542	18.0
97.07152	2.8
98.22627	6.0
103.05450	3.9
105.04553	4.8
105.07015	100.0
107.04964	5.5
107.08578	60.0
109.06516	25.6
109.10136	29.3
111.08099	8.1
113.09647	3.9
115.05445	9.1
116.06225	6.4
117.07001	30.2
119.08556	83.8
120.09406	3.3
121.06467	16.5
121.10133	64.2
122.10482	4.1
123.08049	24.9
123.11713	6.2
125.09627	10.7
128.06189	23.7
129.07002	30.5
129.09160	3.1
130.07758	9.7
131.08548	46.8
133.06491	6.1
133.08569	3.6
133.10109	48.8
135.08020	18.4
135.11665	15.6
137.09595	12.9
139.11176	5.9
141.06956	18.0
142.07765	33.2
143.08545	47.4
144.09317	16.1
145.06514	6.8
145.10104	63.0
146.10399	6.0
147.08017	23.8
147.11652	18.0
149.09584	17.8
149.13205	4.2
151.07506	14.5
151.11162	3.3
154.07695	3.6
155.08565	25.9
155.10661	10.1
156.09323	28.3
157.06479	3.9
157.10107	71.5
158.10849	11.3
159.07993	24.3
159.11664	42.5
160.08820	7.5
160.12112	4.3
161.09555	14.2
161.13258	7.1
163.11220	12.8
165.07005	10.9
165.09097	19.0
166.07817	4.6
167.08578	12.7
167.10587	17.9
168.09360	7.2
169.10092	34.0
170.10863	14.0
171.11658	41.2
173.09587	11.6
173.13235	16.5
175.11131	24.0
175.14804	7.5
179.08563	12.0
180.09311	10.3
181.10057	16.0
181.12227	6.8
182.10948	18.5
183.11641	28.9
184.12337	4.4
185.09622	8.4
185.13240	26.7
187.11191	7.3
187.14804	9.7
189.12758	10.9
190.13480	3.8
191.14265	7.1
192.09357	5.7
193.10146	20.4
193.12199	7.1
194.10838	12.9
195.11690	27.9
196.12445	9.6
197.09595	3.7
197.13214	26.6
198.13878	4.8
199.11163	8.9
199.14833	12.8
201.12735	7.7
203.14351	11.7
205.10104	6.9
206.10938	7.0
207.11691	20.2
207.13693	7.1
208.12390	8.5
208.14409	3.7
209.13234	21.4
210.13928	4.6
211.11180	9.7
211.14771	17.9
212.11884	3.4
213.12613	14.1
213.16283	3.8
215.14275	10.9
217.15906	4.9
218.16646	4.2
219.11725	7.1
219.13701	5.3
220.12404	7.3
221.13211	15.5
221.15367	43.7
222.13907	5.0
222.15855	4.8
223.14810	15.9
225.12714	8.9
225.16382	7.2
227.14388	5.8
229.15877	4.5
231.11627	5.1
233.13153	6.7
233.15366	21.8
234.16058	7.5
235.14864	14.2
236.15230	3.2
237.14627	7.0
237.16629	6.7
239.14233	6.5
241.15881	5.7
245.13190	6.1
247.14737	8.4
247.17001	7.5
249.16402	8.0
253.15938	5.6
255.17375	26.8
259.14749	7.1
261.16440	4.8
263.18002	7.4
265.19562	5.0
269.19070	5.3
270.19800	5.7
275.20163	5.7
279.17456	6.9
281.19016	7.6
285.18686	3.8
286.19370	6.8
287.20139	4.7
299.19974	9.3
303.19397	15.2
313.21619	5.2
319.20728	4.0
325.21680	5.2
343.23923	4.1
345.22055	3.6
347.23813	3.8
352.23892	18.8
365.24573	7.1
383.25949	6.0
502.34482	4.0
508.34695	6.5
520.35333	11.8
520.43225	3.6
582.40759	8.9
585.39734	3.6
600.32556	5.5
600.41669	30.1
601.42377	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58515	9.3
55.05508	13.7
57.07077	18.8
57.44724	8.3
61.76580	9.5
67.05502	26.5
67.90396	7.4
69.03399	12.0
69.07056	14.2
69.33162	46.7
70.03728	9.2
75.73611	8.8
79.05482	22.8
81.07021	43.5
83.08589	8.8
89.06023	16.2
91.05474	33.4
93.07037	69.9
95.04961	28.2
95.08600	37.4
97.06547	16.4
105.07022	73.2
107.08586	36.5
109.06536	14.0
109.10139	13.2
117.07010	27.7
119.08562	87.3
121.10148	39.3
123.08067	33.4
125.05962	21.5
128.06273	13.9
129.06956	25.2
131.08557	39.3
133.10138	32.0
135.08066	25.7
135.11732	16.3
137.09613	26.1
142.07826	11.2
143.08553	29.6
145.10121	68.2
145.22867	10.2
147.08032	33.6
149.09644	20.6
151.07504	20.8
155.08569	21.2
157.10106	38.4
158.10886	9.0
159.08070	14.7
159.11705	28.0
161.13268	11.0
163.11246	28.6
165.09106	75.1
169.10159	21.8
170.10878	9.6
171.11705	28.2
173.13272	19.5
175.11208	35.6
181.10094	15.4
181.12187	19.5
183.11626	18.4
185.09648	11.6
185.13228	23.5
187.11179	12.0
189.12703	17.8
191.10628	10.3
191.86076	9.3
193.12268	13.6
195.11613	16.3
196.46899	9.8
197.13220	18.6
203.14316	29.4
209.13217	16.5
219.13847	15.4
221.15288	100.0
223.14700	10.6
234.13910	9.6
234.16129	18.3
241.15796	11.6
247.16991	39.0
259.16840	15.4
274.19199	17.6
299.19897	21.4
311.19891	14.2
352.23868	25.2
398.90536	9.0
413.26718	14.5
427.28598	15.2
440.29080	35.2
507.34299	9.9
520.35156	18.9
600.41382	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.0
57.07062	15.4
62.15560	6.5
65.45755	5.7
67.05502	38.2
68.97018	5.8
69.03421	12.6
69.07064	14.7
69.08774	40.6
74.11539	6.5
74.14256	7.7
79.05470	39.1
81.03423	6.4
81.07034	38.8
83.05003	18.7
83.08613	7.1
85.63238	5.5
86.56693	6.0
89.06034	14.7
91.05482	45.9
92.50050	6.0
93.07033	66.9
95.04980	25.2
95.08591	43.0
97.06534	17.9
98.23505	15.6
105.07027	100.0
107.04991	7.9
107.08584	59.1
109.06520	20.3
109.10169	13.3
111.08080	8.4
116.01751	6.0
117.07018	22.7
119.08567	79.9
121.06506	16.2
121.10133	55.1
123.08125	23.6
125.05990	8.8
125.09643	9.5
128.06261	15.9
129.07036	24.2
130.07805	8.2
131.08543	36.8
133.08566	9.5
133.10124	43.5
135.08060	16.1
135.11711	15.6
137.09602	13.7
141.07010	12.9
142.07803	16.3
143.08548	42.4
144.09386	11.2
145.06483	7.5
145.10097	56.5
147.08043	35.6
147.11711	19.0
149.09636	13.5
151.07530	15.0
155.08609	14.6
156.09360	14.8
157.10101	54.5
159.08118	11.5
159.11612	39.4
161.09715	20.7
163.11209	19.8
165.09113	37.6
167.10699	11.3
168.09506	7.8
169.10179	28.6
171.11670	36.1
173.09708	15.0
173.13312	19.0
175.11200	23.2
175.14813	11.0
177.11284	8.0
179.08557	8.6
181.10085	11.3
182.11018	9.8
183.11690	26.9
185.13240	14.1
187.11266	7.4
189.12804	9.2
190.13437	11.6
191.14398	8.9
193.10207	13.4
193.12201	13.9
195.11737	24.2
197.13304	23.9
203.14417	24.0
205.10190	7.2
207.11781	14.6
207.13820	16.7
208.12355	8.1
208.14447	7.7
209.13280	17.8
211.11060	6.3
211.14871	8.1
213.12788	18.8
218.53862	7.5
221.13359	11.0
221.15317	80.9
223.14883	10.0
233.13286	11.6
233.15456	21.6
234.16010	13.4
235.14871	10.5
237.14888	25.4
239.14467	9.4
247.14833	9.0
247.17059	11.7
255.17505	19.8
274.19241	14.8
285.18637	13.5
286.19351	11.2
287.20038	10.6
299.20267	11.6
303.19434	44.0
313.21545	12.9
325.21704	10.5
337.21573	11.3
352.23889	80.2
365.24799	18.7
502.34735	9.2
520.35498	31.5
600.32251	11.7
600.41675	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93008	0.5
67.05507	0.7
69.71237	1.0
69.71597	1.3
71.98862	0.6
78.92441	0.5
81.07076	0.7
91.05479	0.7
93.07037	0.6
95.04946	0.7
95.08631	0.6
98.22680	0.6
105.03387	1.2
105.07002	1.0
109.06513	0.7
117.23327	0.5
203.05272	1.1
215.37154	0.5
259.07880	1.3
296.50916	0.7
331.09842	0.6
366.69250	0.6
376.51904	0.6
403.20847	1.3
439.57529	0.6
479.28503	0.6
565.26038	6.8
601.23724	100.0
602.23944	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	601.407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84229	1.0
53.03931	2.9
55.01865	7.8
55.05503	27.5
55.73508	0.8
57.03419	2.9
57.07054	3.1
59.04991	2.1
65.03931	2.1
67.05495	30.6
69.03421	4.2
69.07060	13.9
69.08592	6.3
71.04977	3.9
77.03915	1.5
79.05479	32.9
81.03411	6.1
81.07046	59.7
83.04975	13.4
83.08601	16.5
85.02881	1.4
85.06526	1.7
89.05994	1.5
91.05463	27.9
92.05807	1.1
93.07029	31.4
95.04952	17.9
95.08598	19.8
97.06528	6.0
97.10152	18.7
99.08093	1.8
103.05418	2.2
105.04490	2.6
105.07012	30.5
107.04926	10.6
107.08578	23.0
109.06500	15.6
109.10136	9.9
111.04433	8.2
111.08067	5.5
115.05463	2.2
117.07000	14.5
119.04916	1.6
119.08563	29.4
120.08897	1.7
121.06489	11.9
121.10131	12.8
123.08054	16.2
123.08903	1.6
123.11666	1.9
125.05985	1.0
125.09615	15.5
128.06218	2.7
129.06987	8.1
130.07762	1.0
131.04942	1.5
131.07628	0.6
131.08546	18.6
133.06471	4.7
133.08603	1.5
133.10106	15.9
135.08018	8.5
135.11644	8.8
137.09595	5.3
139.11177	1.6
141.06949	2.7
142.07791	2.1
143.08542	6.9
145.06444	3.0
145.10101	22.0
147.08023	13.2
147.11655	9.0
149.09608	10.7
149.13255	2.7
151.07549	2.1
151.11156	3.1
153.06996	1.5
153.09102	6.8
153.12703	2.5
155.08533	4.0
156.09267	1.4
157.10106	9.0
158.10484	1.3
159.08044	3.6
159.11664	9.4
161.09584	8.4
161.13220	3.2
163.11147	13.4
165.09096	9.6
165.12752	1.2
167.10696	1.2
168.00829	1.0
169.10074	3.6
171.07993	1.3
171.10268	1.6
171.11649	4.9
172.12044	0.9
173.09589	4.4
173.13228	5.2
175.11186	4.4
175.14775	3.1
177.12675	1.5
181.10115	1.9
181.12151	6.0
183.11662	2.9
185.09647	1.7
185.13234	3.9
187.11118	1.8
187.14775	1.3
189.11179	17.4
189.12717	2.1
189.83870	1.3
191.10602	3.4
191.14320	2.2
193.10034	1.4
193.12045	1.1
195.11685	2.4
197.13242	3.1
199.11197	1.8
199.14818	1.6
201.12759	1.7
201.16325	1.1
203.14230	2.3
205.12222	1.6
207.13770	1.9
209.09776	1.0
209.13316	1.4
210.13779	1.4
211.14830	0.9
213.12663	1.1
213.16275	2.1
215.14296	1.7
219.13759	2.1
221.15286	8.4
223.13168	6.6
227.12730	4.1
227.17926	1.3
231.13806	1.0
231.17470	1.2
233.15356	1.9
233.18990	1.2
237.16429	2.3
237.18556	1.3
239.17860	1.3
245.19023	2.9
247.20691	1.3
249.14832	2.4
255.17245	5.0
257.18951	8.7
263.20035	1.4
273.18460	33.0
275.20029	49.9
276.20346	1.8
291.19504	100.0
292.19757	3.9
293.21033	15.8
309.20575	5.5
313.27362	1.2
427.28033	1.4
445.28711	1.1
547.37854	2.0
565.38867	3.8
583.40173	6.2
601.42145	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33782	2.3
55.05511	10.7
57.07072	13.3
59.04992	3.9
67.05488	16.3
69.03413	14.7
69.07067	10.3
69.62637	3.5
69.63008	4.7
73.58773	2.1
79.05477	24.7
81.03404	2.9
81.07040	33.6
81.07492	2.8
83.04971	4.5
83.08627	3.8
85.06538	4.4
90.60832	2.1
91.05471	32.2
93.07035	48.0
93.07594	3.5
95.04956	13.7
95.08588	31.9
97.06528	4.7
105.04533	4.3
105.07017	55.8
105.07728	3.5
107.08584	32.6
109.06502	17.7
109.10129	16.8
111.08015	3.7
116.06235	2.3
117.07008	15.4
119.08566	60.5
120.08876	3.0
121.06467	9.9
121.10136	30.7
123.08062	23.5
123.11687	3.2
125.05985	6.2
128.06206	3.8
129.07004	9.3
130.07796	3.0
131.08540	23.8
133.10110	29.9
134.10405	3.3
135.08044	18.8
135.11710	11.0
137.05995	2.7
137.09613	20.1
138.09946	2.7
141.06979	4.0
142.07787	10.8
143.08546	19.8
144.09290	3.8
145.06551	2.4
145.10109	44.7
147.08023	36.0
147.11678	8.0
149.09564	11.2
149.13150	2.5
151.07520	23.1
155.08553	10.1
156.09325	10.2
157.10086	25.7
159.08089	3.6
159.11693	23.5
160.12254	2.5
161.09578	12.3
161.13266	8.9
163.11157	10.9
165.06958	4.3
165.09094	74.5
166.09366	4.8
167.08498	4.2
169.10101	16.6
170.10904	5.4
171.11661	14.4
173.09508	3.8
173.13246	9.8
175.11182	8.5
175.14815	6.0
177.95993	2.5
179.08577	3.8
180.09151	2.7
181.10072	4.9
181.12242	8.1
182.10886	6.9
183.11656	10.6
184.12456	2.5
185.13220	11.7
186.13849	2.6
187.14798	5.2
189.12750	4.7
190.51970	2.3
191.14285	3.9
193.12206	3.9
194.10812	4.9
195.11678	9.4
197.13237	7.2
198.13812	3.0
199.11096	2.8
199.14740	5.5
201.12703	3.4
201.16434	2.8
203.14307	23.3
204.14641	4.1
205.15997	3.3
206.10944	2.5
207.11703	6.3
207.13751	7.7
209.13322	5.0
213.12740	3.3
213.16360	3.4
219.13779	3.7
220.12424	3.1
221.13286	8.4
221.15332	100.0
222.15698	7.6
235.14838	5.2
239.18033	3.1
247.16939	3.3
251.17987	3.2
253.16100	3.0
264.22333	2.9
275.20056	3.4
284.26657	2.5
287.20074	5.7
300.20670	4.6
301.21628	4.6
333.01877	2.4
346.12903	2.7
352.23886	3.4
353.24521	3.6
367.26297	6.2
393.28030	3.3
427.26678	2.8
441.29736	3.3
491.35007	8.6
509.35825	3.1
521.35309	3.9
583.41138	11.8
601.42468	29.2
622.99902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.5
57.07073	5.1
61.34599	3.8
67.05493	14.0
69.03404	9.3
69.07056	9.6
69.11266	3.8
79.05496	13.2
81.03411	4.8
81.07054	21.3
83.04955	5.7
85.06524	4.7
89.77680	3.7
91.05470	20.5
93.07030	33.7
95.04958	11.2
95.08600	19.2
105.07009	37.0
107.08560	23.5
109.06519	12.1
109.10136	11.4
117.06992	9.8
119.08556	44.8
120.08898	4.7
121.06503	4.7
121.10110	17.9
123.08047	14.7
123.11665	4.7
125.05951	5.1
128.92712	4.0
130.07758	6.4
131.08557	11.7
133.10124	24.0
135.08038	11.4
135.11687	10.8
137.09659	10.8
142.07782	15.9
143.08563	14.0
144.09114	5.9
145.10103	38.1
147.08073	22.6
149.09650	6.1
151.07544	10.3
155.08565	6.0
156.09386	6.6
157.10104	16.8
159.11681	18.4
161.09564	7.8
161.13246	7.2
163.11115	12.4
164.11491	4.3
165.09085	39.8
166.09531	5.8
167.08609	4.9
169.10135	9.1
171.11670	12.7
173.09590	6.3
173.13223	8.1
175.11180	7.3
179.08569	6.7
181.10077	10.1
181.12233	10.1
182.10822	4.5
183.11673	7.9
185.13335	7.9
195.11635	9.3
197.13222	8.6
203.14326	14.5
207.11732	6.1
207.13672	7.6
209.13220	10.0
209.15274	3.8
211.14833	4.4
215.60954	4.3
221.13232	7.8
221.15331	100.0
222.15654	14.8
239.50194	4.1
287.20004	6.5
301.21469	5.0
310.49100	4.7
313.21387	4.4
353.19281	4.2
441.29544	10.0
491.35034	10.0
583.41724	10.5
601.42120	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	601.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	28.8
56.31443	4.3
57.07063	24.3
65.03939	6.5
66.89327	4.5
67.05498	45.2
69.03405	11.2
69.07058	27.8
70.16881	4.6
71.04984	5.9
71.08627	10.0
73.64263	4.1
79.05477	45.6
81.03395	7.3
81.07049	56.6
82.07373	7.3
83.04980	19.2
83.08619	19.1
85.06538	8.1
85.10204	4.3
87.04445	9.6
89.06026	44.1
91.05476	62.9
92.05791	6.3
93.06512	8.5
93.07037	82.6
94.07365	6.0
95.04943	35.8
95.08588	52.8
97.06512	16.0
98.23466	8.5
103.05476	5.8
104.12392	4.5
105.04558	6.4
105.07017	100.0
106.07317	8.4
107.08578	58.4
108.08903	10.6
109.06500	23.4
109.09615	4.1
109.10167	41.0
117.07018	27.3
119.06112	4.6
119.08564	83.5
120.08922	12.4
121.06519	9.3
121.10130	68.6
122.10446	9.9
123.08060	17.2
123.11673	8.7
124.08337	4.5
125.05980	5.5
125.09541	5.4
128.06200	15.9
129.06979	19.2
130.07761	8.5
131.08554	46.6
133.08575	20.9
133.10109	58.7
134.10500	5.1
135.08028	18.5
135.11700	20.7
137.09578	15.2
139.11177	6.8
141.06976	6.8
142.07736	24.3
143.08559	40.7
144.09265	5.9
145.10107	65.4
146.10469	11.1
147.08066	14.7
147.11702	27.8
149.09604	25.4
151.07492	7.0
151.11197	5.6
153.07007	6.1
155.08527	14.4
155.10593	6.5
156.09280	14.7
157.10112	52.8
158.10558	5.3
159.08038	8.3
159.11693	41.6
160.12022	5.7
161.09567	14.7
161.13266	12.2
163.11168	8.4
165.06987	6.5
165.09122	14.9
167.08540	6.7
167.10693	46.5
168.09293	4.8
169.10127	26.3
170.10785	10.5
170.82918	5.1
171.11647	30.8
172.12242	9.2
173.09644	8.1
173.13266	25.7
175.11174	10.1
175.14876	9.6
177.11185	7.7
179.08536	8.9
180.93719	4.4
181.10106	10.7
181.12190	6.5
183.11674	20.6
184.12276	6.3
185.13268	20.3
186.13797	5.8
187.11099	7.6
187.14775	7.9
189.12851	6.0
193.10120	10.4
194.10802	9.8
195.11664	19.4
196.12347	8.5
197.13258	22.8
198.13594	9.0
198.32826	5.1
199.14774	12.6
201.12665	5.8
203.14386	8.3
207.11623	16.2
207.13623	5.9
208.12292	5.2
209.13280	21.3
210.13757	5.1
211.14755	10.1
213.12791	6.2
213.16487	5.1
218.16394	6.3
221.13239	12.3
221.15361	43.0
225.16283	7.2
233.13214	10.8
233.15358	22.8
235.14700	9.5
239.14386	6.4
255.17424	6.7
261.16238	6.4
265.19565	5.8
269.19006	6.3
275.20203	8.2
491.34598	6.0
583.41370	18.5
601.25940	19.8
601.35150	17.0
601.42273	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01865	15.4
55.05501	31.1
55.05730	5.4
57.07066	20.6
59.04993	6.5
63.23342	3.8
64.12828	3.5
66.96030	3.8
67.05492	52.8
69.03410	15.0
69.07054	41.2
69.74593	12.9
71.04977	4.7
71.08611	10.4
72.08997	3.8
79.05479	55.1
81.03416	9.1
81.07047	61.9
83.04987	20.5
83.08613	13.0
85.06561	6.5
87.04468	9.6
89.06023	52.0
90.06342	7.4
91.05460	68.9
93.07030	88.4
94.07386	6.2
95.04954	36.1
95.08603	52.6
97.06509	20.2
97.10162	5.3
99.04443	3.8
99.08105	4.7
103.05486	4.3
105.04510	4.4
105.07005	94.7
107.04937	28.0
107.08583	85.3
108.08911	6.0
109.06532	26.8
109.10157	43.1
110.06873	5.0
111.04420	7.5
111.08059	8.1
111.11767	4.2
112.46987	4.2
113.09609	3.8
115.05434	9.7
117.07020	23.9
119.08560	100.0
120.08867	4.4
121.06463	19.5
121.10120	82.4
123.08038	25.8
123.11707	13.1
125.09621	14.0
128.06250	8.9
129.06985	20.2
130.07764	12.0
131.08542	42.3
133.06506	10.1
133.08589	26.3
133.10091	61.4
134.08942	9.5
134.10426	4.8
135.08032	23.9
135.11667	19.2
137.09628	12.0
139.11203	8.1
141.07019	7.9
142.07756	16.8
143.08548	44.3
144.09299	9.4
145.10098	83.6
146.07257	4.6
147.08023	20.7
147.11642	26.8
148.11992	4.5
149.09592	34.1
149.13213	5.1
151.07521	9.4
153.06932	4.4
155.08554	20.9
156.09338	13.9
157.10121	52.7
158.10846	6.2
159.08044	18.1
159.11659	47.2
160.12054	4.7
161.09622	18.1
161.13235	12.9
163.11177	12.0
165.06995	8.0
165.09099	15.0
167.08502	9.5
167.10626	49.3
168.09203	6.3
169.10095	31.1
170.10857	10.0
171.11667	33.0
173.09584	7.4
173.13222	26.9
175.11148	13.6
175.14795	20.4
177.11235	11.6
177.12730	5.9
179.08507	11.1
181.10081	18.5
181.12231	7.8
182.10841	10.7
183.11685	30.3
185.13229	20.8
187.14803	12.6
189.12744	7.8
191.14278	5.3
193.10091	11.5
193.12198	4.3
194.10872	11.1
195.11667	23.3
195.13689	4.3
196.12250	9.1
197.13213	22.6
199.11168	7.6
199.14784	12.5
203.14268	8.2
207.11678	12.0
207.13864	4.5
209.13257	23.2
210.13788	5.2
211.11249	6.2
211.14738	9.5
212.11797	5.2
213.12851	5.2
213.16429	8.2
215.14424	7.8
215.17943	4.6
217.15804	6.0
219.11458	6.5
220.12454	5.9
221.13177	11.2
221.15349	31.3
223.14769	20.4
225.12811	4.7
225.16338	8.8
227.14345	5.4
233.13129	9.8
233.15356	24.3
234.15967	5.4
235.14790	11.9
237.16228	9.1
245.13243	5.5
245.18956	4.2
248.15408	5.4
249.16296	6.5
255.17336	9.3
256.17758	5.7
257.18835	7.1
269.18970	8.3
270.98465	6.9
271.19699	4.2
273.18567	20.7
275.20078	31.5
277.19424	4.3
283.20493	9.6
285.18607	7.5
291.19461	55.3
293.21069	7.2
306.13605	4.2
313.21576	4.7
359.92191	4.7
506.12109	4.9
565.39697	8.3
583.40997	6.5
601.26013	46.2
601.43091	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	602.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35196	0.2
56.53350	0.2
69.03421	0.3
69.91748	0.4
78.04679	1.3
79.05468	0.7
81.07021	0.2
82.18134	0.2
85.02892	1.0
85.91754	0.2
85.95412	0.2
88.74893	0.2
89.18502	0.2
90.89034	0.2
91.05484	0.4
93.07006	0.3
95.04934	0.5
97.02895	0.3
102.04548	0.2
105.03403	0.3
105.07016	0.6
106.04163	0.6
107.04966	1.1
112.46318	0.2
115.05419	0.2
121.06504	0.3
122.03587	0.2
123.04411	2.9
124.05238	1.1
133.06450	0.6
134.03635	0.3
135.08063	0.2
149.05940	0.6
151.03862	0.6
152.04633	1.1
161.05957	0.8
162.07599	0.2
163.07533	0.3
167.07008	100.0
167.20171	0.2
168.07347	2.2
179.06990	0.5
181.08614	0.5
193.08586	3.7
211.09624	16.3
212.10010	0.3
213.11177	0.9
245.06203	0.2
256.44876	0.2
488.02780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01842	0.4
51.02374	0.4
53.03937	1.1
55.01864	0.4
56.05028	1.1
58.06591	3.3
65.03941	0.4
67.05507	0.5
69.03418	0.5
70.10122	0.4
70.10452	0.8
72.08139	0.4
77.03940	1.2
79.05496	1.4
82.06564	0.5
83.04988	1.0
84.08153	1.0
85.02905	0.9
86.06080	0.4
88.07639	0.5
91.05457	1.9
91.23560	0.3
95.04949	4.7
96.08137	0.9
97.06518	0.4
105.03381	24.4
105.04415	1.8
105.07043	1.1
107.04939	8.3
108.08112	1.1
110.06068	0.3
110.09699	0.4
111.08039	0.4
112.07597	0.9
115.05431	0.9
117.05794	0.3
117.06997	1.0
119.04916	0.4
119.08561	0.4
120.08021	0.4
121.06502	0.6
121.08884	2.3
122.09660	1.5
124.07670	0.3
126.09057	0.4
128.06227	1.1
129.06999	3.5
131.08536	1.6
133.06465	0.6
135.04451	0.4
135.08038	0.3
138.09122	0.8
140.10754	0.4
141.06947	1.9
143.08566	0.9
146.09657	0.4
147.04390	0.5
153.07024	0.6
154.08626	0.4
155.08554	1.3
157.06512	0.5
157.08847	0.5
158.09653	2.0
159.08040	1.1
159.10504	0.8
160.11182	3.1
161.09608	1.0
165.07001	1.1
166.07803	0.4
167.07069	2.8
167.08514	0.8
169.06540	0.6
169.10197	0.4
171.08078	0.5
172.11186	0.9
173.09660	0.4
178.07771	1.0
179.08582	1.0
181.06477	0.4
181.10136	0.9
182.11792	1.7
183.08115	0.6
184.11249	1.0
185.09657	0.7
185.12038	1.1
186.12793	2.1
191.08521	0.8
193.10133	1.3
195.07983	0.6
197.09642	0.5
198.12732	0.7
201.09196	0.4
202.07809	0.6
202.12325	1.2
203.08580	0.7
204.13873	0.5
205.10182	1.3
207.08055	0.4
207.11722	0.6
208.08870	0.5
210.12790	0.3
211.09523	0.5
211.11307	0.5
212.10710	0.5
214.12355	0.4
216.13887	1.1
217.10141	0.8
218.15384	0.4
219.08174	0.5
219.11737	0.7
221.09648	1.0
223.11276	0.8
224.14619	0.4
228.13788	0.4
239.10724	0.6
242.11746	0.5
244.13255	0.4
247.11159	0.6
248.14368	0.5
253.12361	0.4
265.12207	0.4
272.12823	0.5
292.17056	0.4
294.14984	0.7
308.16312	0.5
320.16727	1.1
327.22507	0.4
338.17563	1.2
356.18768	0.5
372.17960	0.6
398.19775	0.5
412.21094	0.4
416.20813	1.4
430.22238	1.9
448.23087	1.8
462.24866	0.6
480.25925	1.3
524.23083	0.9
534.24878	0.4
552.25958	4.6
570.27295	0.9
584.27557	1.0
602.29547	100.0
603.20648	0.7
603.29858	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	602.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03938	1.4
58.06597	2.2
64.03644	0.4
67.05476	0.5
69.72895	1.7
70.06586	0.7
71.04986	1.0
71.90154	0.5
75.04472	0.9
75.53373	0.5
77.03933	2.1
79.05495	0.9
81.07057	1.1
84.08138	1.3
85.02885	1.1
86.06038	0.6
88.07627	1.4
91.05476	1.8
92.50536	0.5
93.07034	0.8
93.26202	0.4
94.06564	2.5
95.04961	6.8
96.08110	0.6
100.07597	0.8
105.03379	46.5
105.04395	2.9
105.07013	0.8
106.03722	0.9
108.08121	2.1
109.06538	0.9
110.09707	1.0
115.05456	0.8
116.10713	0.8
117.07008	0.8
119.08555	0.8
120.08167	0.5
121.06508	0.5
122.09660	0.5
124.07579	0.6
126.09119	0.7
129.07030	1.2
131.08548	1.2
138.09106	0.7
140.10707	1.6
141.06938	0.7
143.08572	0.8
146.03600	0.6
146.09692	0.5
147.04408	1.1
147.08080	0.7
147.11600	0.5
148.02956	0.5
155.08557	0.6
158.09622	0.9
159.08124	0.5
160.07574	0.7
164.10654	1.1
165.06956	0.9
167.08568	0.8
171.08015	0.6
174.05574	0.5
174.09016	0.5
178.12210	0.6
179.08566	1.2
182.09618	0.8
186.12776	0.7
190.08621	0.5
191.08592	0.6
192.06696	0.5
193.10146	1.1
195.08090	0.5
202.07813	0.7
203.08597	0.7
205.10104	0.6
206.15472	1.0
207.07964	0.7
208.56493	0.5
213.09018	0.5
223.11197	0.8
235.07425	0.6
235.11165	1.4
247.11241	0.9
250.12436	0.5
263.10800	1.9
270.14856	0.5
276.13837	0.5
282.15115	0.6
310.18079	1.9
328.18982	0.7
338.17444	10.5
342.20667	3.1
370.20053	1.1
402.23148	0.6
460.21307	0.7
464.24716	1.6
466.22534	0.5
482.25461	2.2
492.23904	3.9
496.23264	1.3
510.24969	1.2
524.20245	0.4
524.26385	11.3
524.33801	0.9
525.26569	1.1
542.27368	9.5
584.28644	2.7
602.29517	100.0
603.29858	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	602.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.2
55.01859	9.4
55.05483	3.1
57.03424	6.8
61.02918	7.8
67.05485	8.6
68.99765	4.6
69.03418	45.7
69.63186	10.7
71.04969	9.1
73.02883	6.5
79.05468	7.4
81.03409	36.3
81.07048	15.9
83.01347	2.9
85.02892	100.0
86.06050	3.8
87.00816	45.8
91.05470	7.4
92.72286	2.9
93.07010	11.9
93.07528	2.6
95.04959	7.2
95.08591	45.3
97.02879	51.1
97.06530	3.0
99.04426	17.2
105.01853	58.7
105.03359	18.4
105.07012	11.2
107.08563	9.6
108.04491	3.6
109.02856	51.0
109.10160	6.0
111.08051	4.4
116.10667	2.9
117.01836	5.5
117.07002	6.4
119.08567	15.3
121.10127	10.3
127.03901	84.4
127.50146	2.9
129.01823	6.4
129.06979	4.1
130.07021	2.7
131.08528	11.5
133.10133	5.4
135.11639	7.3
143.08546	5.2
143.97699	2.4
145.04939	45.0
145.10124	14.2
147.02890	5.3
147.11684	13.7
157.10091	6.0
159.02864	21.9
159.11684	9.8
161.13237	10.5
173.13223	11.3
175.14734	3.8
185.00484	2.4
185.13245	6.9
189.03979	2.7
189.16385	3.7
191.14284	7.4
199.14806	8.2
201.16313	5.6
203.47458	2.9
212.16446	13.8
213.03906	9.3
213.16350	3.1
227.17889	7.3
230.17468	4.1
231.04953	27.4
249.06012	9.5
255.21013	42.2
273.22083	98.6
275.88080	2.6
283.20520	7.1
291.23160	68.1
301.21555	36.6
319.22610	9.1
347.24698	2.9
440.30017	3.9
444.96970	3.0
524.26251	3.5
539.28308	2.9
549.26410	9.1
567.27655	15.0
570.30023	4.9
602.31763	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01865	10.0
57.03424	5.1
57.07084	2.4
58.06586	1.4
58.13972	1.3
59.89691	1.4
61.02919	6.8
63.50801	1.6
67.05486	3.6
68.99770	4.4
69.03057	2.4
69.03416	35.6
69.07062	1.4
71.04976	4.5
73.02901	9.2
79.05460	2.4
81.03403	28.9
81.07030	7.3
84.58763	1.4
85.02892	100.0
86.06043	3.6
87.00821	40.1
91.03933	2.6
91.05489	4.4
93.07031	4.1
95.08582	8.3
97.02879	51.1
97.10156	3.4
99.04444	17.4
103.31496	1.5
105.01855	64.7
105.03361	17.9
105.07008	7.2
106.03722	2.4
107.08620	3.5
108.04453	3.4
109.02865	39.9
109.06574	1.6
109.10149	6.6
111.11721	1.5
115.03892	1.5
117.01841	4.1
117.07008	3.5
119.08557	5.7
121.10127	5.0
123.11663	1.7
127.03894	88.8
129.01851	4.4
129.06998	2.1
131.08534	5.6
133.10095	5.2
135.11694	2.0
143.08551	3.1
145.04933	48.0
145.08743	1.5
145.10106	5.0
147.02859	2.7
147.11642	7.2
149.13251	4.1
156.00874	1.6
157.10204	2.4
159.02858	23.6
159.11720	6.4
161.13243	1.7
169.64574	1.4
171.11809	2.3
173.13249	9.6
177.04044	1.8
177.12782	1.6
179.19792	1.6
185.13260	3.4
189.04007	2.0
191.14272	2.6
193.10066	1.6
199.14813	4.8
203.54912	1.4
213.03891	4.9
213.16241	2.2
231.04974	29.5
248.07750	1.6
249.06021	10.9
255.21062	40.7
266.08658	2.1
273.22067	43.5
283.20654	4.2
301.21564	27.0
315.23831	1.4
319.22659	16.2
338.17477	1.6
376.50668	1.7
492.23483	1.8
510.24707	1.6
512.78723	1.6
518.23901	1.9
521.26709	2.0
524.26172	1.6
531.25867	1.7
542.27289	4.4
549.26843	12.5
602.29462	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.2
55.01859	9.4
55.05483	3.1
57.03424	6.8
61.02918	7.8
67.05485	8.6
68.99765	4.6
69.03418	45.7
69.63186	10.7
71.04969	9.1
73.02883	6.5
79.05468	7.4
81.03409	36.3
81.07048	15.9
83.01347	2.9
85.02892	100.0
86.06050	3.8
87.00816	45.8
91.05470	7.4
92.72286	2.9
93.07010	11.9
93.07528	2.6
95.04959	7.2
95.08591	45.3
97.02879	51.1
97.06530	3.0
99.04426	17.2
105.01853	58.7
105.03359	18.4
105.07012	11.2
107.08563	9.6
108.04491	3.6
109.02856	51.0
109.10160	6.0
111.08051	4.4
116.10667	2.9
117.01836	5.5
117.07002	6.4
119.08567	15.3
121.10127	10.3
127.03901	84.4
127.50146	2.9
129.01823	6.4
129.06979	4.1
130.07021	2.7
131.08528	11.5
133.10133	5.4
135.11639	7.3
143.08546	5.2
143.97699	2.4
145.04939	45.0
145.10124	14.2
147.02890	5.3
147.11684	13.7
157.10091	6.0
159.02864	21.9
159.11684	9.8
161.13237	10.5
173.13223	11.3
175.14734	3.8
185.00484	2.4
185.13245	6.9
189.03979	2.7
189.16385	3.7
191.14284	7.4
199.14806	8.2
201.16313	5.6
203.47458	2.9
212.16446	13.8
213.03906	9.3
213.16350	3.1
227.17889	7.3
230.17468	4.1
231.04953	27.4
249.06012	9.5
255.21013	42.2
273.22083	98.6
275.88080	2.6
283.20520	7.1
291.23160	68.1
301.21555	36.6
319.22610	9.1
347.24698	2.9
440.30017	3.9
444.96970	3.0
524.26251	3.5
539.28308	2.9
549.26410	9.1
567.27655	15.0
570.30023	4.9
602.31763	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82642	0.4
66.55404	0.5
91.05450	0.6
95.04975	2.0
97.59562	0.4
98.64339	0.4
105.03383	11.1
105.04489	0.9
116.07545	0.5
135.08163	0.5
148.07620	0.4
193.10233	0.6
203.05251	0.6
229.32602	0.6
259.08014	1.0
261.12781	0.6
274.16043	0.9
292.17014	0.8
380.18356	0.5
405.22476	2.7
429.17667	0.6
440.20679	0.9
567.27704	10.7
603.25311	100.0
604.25372	14.3
609.11658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
57.07089	0.5
63.32183	0.4
67.05489	0.5
69.07052	0.5
70.06586	0.6
70.08706	1.0
72.63936	0.5
78.86053	0.4
79.05465	0.4
81.07004	0.5
85.02826	0.5
91.05453	0.8
95.04955	1.9
98.23414	0.5
105.03382	11.2
105.04490	1.0
105.07001	0.6
133.10165	0.6
137.14967	0.4
144.01183	0.4
158.09570	0.4
167.56311	0.4
173.00819	0.4
203.05284	1.4
207.11658	0.7
219.11781	0.6
227.71126	0.4
259.07846	2.1
274.16003	0.5
292.16705	0.6
320.16547	0.6
331.09839	0.5
334.17773	0.5
380.18631	0.8
405.22354	1.9
412.66010	0.5
457.20419	0.5
485.19885	0.8
567.27753	10.9
603.25287	100.0
604.25372	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	604.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15319	0.3
52.27991	0.3
53.03933	0.3
55.01879	0.3
55.05507	1.0
55.46331	0.3
57.03427	2.6
57.07067	1.9
58.06588	0.5
59.04992	0.6
67.05502	0.6
69.03419	1.8
69.07061	0.8
69.39262	0.9
69.39661	0.8
70.04067	100.0
71.03752	0.4
71.04397	0.6
71.04984	14.6
73.02902	0.7
75.04487	0.4
79.05468	0.5
81.03404	1.5
81.07016	0.4
83.04977	3.5
83.08614	0.5
85.02892	20.0
85.32655	0.4
87.04459	0.7
95.04939	0.8
97.02885	1.7
99.04471	1.1
99.08077	9.0
99.08717	0.5
99.46641	0.3
103.03890	0.3
105.03381	3.7
109.02865	2.0
111.04413	2.5
117.09115	2.4
123.04453	0.6
127.03900	3.5
129.05455	5.9
130.18167	0.3
137.09624	0.4
145.04982	0.6
147.06528	2.2
148.06110	0.4
149.09634	0.4
159.10115	0.4
183.10161	1.3
195.10143	2.4
209.07330	0.4
216.09743	5.4
225.11266	1.3
227.08327	3.5
227.12715	3.2
243.12196	1.6
261.13281	1.7
458.16849	2.5
522.06891	0.4
604.30725	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	604.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
52.51030	0.4
53.03933	2.2
55.01874	0.5
58.06596	0.5
65.87887	0.3
67.05499	0.5
71.04995	0.6
72.07674	0.4
75.04478	1.1
77.03912	3.8
79.05494	1.2
80.05005	1.6
81.03389	0.4
82.06578	0.6
85.02898	2.5
85.83711	0.4
91.05477	1.9
94.06567	1.1
95.04957	13.7
96.08108	0.5
103.05515	0.4
104.36110	0.3
105.03384	90.7
105.04515	5.3
106.03713	1.5
108.08092	0.5
109.06512	1.4
112.07540	0.5
115.05411	0.5
117.07007	1.1
118.95396	0.3
119.08546	0.5
120.08100	1.5
121.06466	0.6
123.04413	0.5
124.07620	0.6
128.06212	0.6
129.06999	2.3
131.08560	1.0
133.02817	0.8
133.06464	0.5
135.08080	0.6
136.07619	0.4
141.06987	1.3
144.08090	0.7
145.06480	0.7
146.05992	0.5
146.09679	0.4
147.08067	0.5
148.07512	0.7
153.06967	1.0
155.08588	0.6
156.08090	0.5
157.06462	1.0
158.09656	0.7
160.07570	0.4
165.07014	1.2
167.08551	0.8
169.06506	0.6
170.09666	0.8
171.08057	0.5
178.07773	0.9
179.08575	1.7
181.06477	0.5
181.10133	1.2
183.08061	0.6
185.09592	0.7
187.07555	0.6
190.07718	0.6
191.08540	1.2
192.09395	0.4
193.10149	1.1
194.09656	0.6
195.08090	1.0
197.09634	0.4
199.07375	0.4
200.10605	0.4
202.07774	0.7
203.08533	1.1
205.10211	1.9
207.08043	1.0
207.11632	0.8
208.11145	0.5
209.09563	0.7
210.12775	0.4
211.11160	0.5
212.10741	0.6
215.08626	0.8
217.10129	1.2
218.07246	0.5
218.09535	0.5
219.08006	0.5
220.08824	0.5
220.11131	0.4
221.09625	0.9
223.11115	1.1
225.09076	0.6
226.11993	0.4
228.10144	0.4
232.08882	0.9
233.09737	2.0
234.09088	0.4
234.12738	0.4
235.11134	1.2
237.09142	0.5
245.09595	0.5
249.08945	0.5
251.10631	0.9
254.11842	0.5
261.09097	1.4
262.12210	0.9
263.10648	0.7
265.12189	0.4
280.13315	0.5
290.12122	0.6
293.11829	0.7
296.12592	0.4
308.12888	0.5
311.12759	0.4
312.15961	0.4
322.14349	0.9
340.15445	1.5
354.16824	0.8
372.18027	0.5
390.51611	0.5
408.17834	2.0
436.16937	0.5
444.17651	0.7
450.19077	0.5
462.18854	1.1
476.20746	0.9
480.20193	0.5
494.21738	1.8
508.23825	0.5
512.22607	1.7
526.24237	1.6
536.22424	1.2
540.21802	0.6
544.25269	5.7
554.26764	0.6
586.26373	1.5
604.27350	100.0
605.27740	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.5
51.02366	1.0
53.03930	1.3
53.77520	0.4
69.73329	1.2
70.06599	0.5
74.06030	0.4
75.04478	0.5
77.03918	2.2
79.05498	0.6
82.06553	1.1
85.02885	0.8
91.05469	1.8
91.22680	0.4
93.07032	0.4
94.06560	1.0
95.04959	7.0
96.08126	0.8
103.05510	0.5
105.03380	58.5
105.04517	2.7
105.07015	0.9
106.03710	0.8
107.04940	0.5
108.08109	1.4
109.06557	0.9
115.05429	0.7
117.06997	1.6
119.04911	0.5
120.08118	0.9
121.06478	0.8
122.09646	0.5
124.07568	2.3
128.06212	0.7
129.07007	1.3
131.08568	1.1
132.08109	0.9
134.09665	0.7
137.05960	0.7
137.08377	0.5
141.06989	0.7
144.08067	0.5
145.06514	0.6
146.09669	0.6
147.04385	0.7
147.08052	0.5
148.07581	0.6
150.09145	0.8
153.06941	0.8
155.08546	0.9
157.06468	0.7
158.09644	0.6
159.08017	0.5
160.07562	1.0
165.07060	0.7
167.08559	0.9
174.05492	1.0
177.05405	0.6
179.08600	0.8
181.10184	0.6
184.11230	0.6
188.10670	0.8
188.50325	0.4
190.12238	1.8
191.08548	0.6
193.10081	0.6
195.11768	0.4
202.07828	0.4
203.08583	0.8
205.10184	1.3
207.08051	0.8
208.13255	0.5
209.09647	0.8
217.10197	0.6
219.08006	0.9
220.51140	0.4
223.11145	0.8
227.72040	0.4
233.09605	1.2
240.25555	0.5
249.09106	0.6
251.10696	0.5
261.09061	0.6
266.72766	0.4
268.13321	0.5
269.39740	0.5
279.09985	0.6
292.13504	0.7
311.12854	0.5
312.15970	0.5
322.14392	0.8
326.17456	0.7
340.15366	6.0
344.18420	1.0
354.17044	0.4
362.19623	1.4
372.17838	0.6
422.19659	0.6
448.21161	0.9
450.19104	0.9
455.03192	0.4
462.19397	0.4
464.20667	0.4
466.22321	1.5
469.40283	0.4
476.20709	0.5
482.21768	1.4
484.23071	2.9
494.21835	1.2
508.23065	2.3
512.22656	1.4
526.24286	3.8
544.25281	14.4
545.25897	0.8
568.25714	1.0
586.26160	0.8
598.09497	0.4
604.27429	100.0
605.27728	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02368	0.7
51.31810	0.3
53.03932	1.3
55.01859	0.6
58.06579	1.1
58.42706	0.3
62.62032	0.4
64.62754	0.3
65.03967	0.3
67.05484	0.4
69.33122	0.3
70.06586	1.6
77.03922	1.7
79.05470	0.9
81.03417	0.5
82.06589	0.5
85.02880	2.2
87.04460	0.5
91.05449	1.7
94.06563	1.2
95.04958	9.4
96.08112	0.9
97.02878	1.1
98.06062	0.5
105.03379	63.5
105.04400	3.9
105.06989	0.9
106.03711	0.9
107.04961	1.0
108.08098	0.8
109.06499	1.0
111.04398	0.4
115.05447	0.7
117.03366	0.5
117.06999	1.2
119.04941	0.5
119.08565	0.6
120.08094	0.5
121.06498	0.7
122.05981	0.4
123.04406	1.3
124.07609	0.5
125.02351	1.2
128.06195	0.9
129.06999	1.4
131.08589	0.6
141.06943	0.9
143.08540	1.2
144.08054	0.4
145.06436	1.9
145.10121	0.4
146.09688	0.4
147.08037	0.7
149.06010	0.5
153.06931	0.7
154.07799	0.5
155.08519	1.1
157.06500	0.5
158.09641	0.5
159.08034	0.8
165.07008	0.9
167.08565	0.9
169.06494	0.7
171.08087	1.1
174.09126	0.5
175.07581	0.5
176.43320	0.4
177.05492	1.0
178.07727	0.5
179.08540	1.1
181.10095	0.6
183.08090	1.0
185.09636	0.7
190.07782	0.7
191.08600	0.5
192.09288	0.4
193.10136	0.9
195.08040	0.7
196.11351	0.4
197.09549	0.6
202.07822	0.6
205.10069	1.1
207.08035	0.6
209.09605	1.1
215.08728	0.6
218.07281	0.6
219.08073	0.5
221.09583	1.1
223.11206	1.1
231.08018	0.4
233.09589	1.1
233.87450	0.4
235.11217	0.6
237.08942	0.6
239.10577	0.7
249.09085	0.4
250.23586	0.4
251.10776	1.1
261.09131	0.4
286.28067	0.4
322.14359	0.4
336.15829	0.4
363.91788	0.4
444.18231	0.5
468.20258	1.4
494.21667	1.9
512.22839	1.2
526.24298	4.1
544.25232	3.0
554.23730	1.6
568.25201	1.5
572.25037	1.9
586.26440	8.8
587.26782	0.9
604.27423	100.0
605.27802	6.5
606.02783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.00264	0.8
53.03946	3.6
55.01863	1.6
58.06583	1.2
59.24311	0.7
61.02913	0.9
65.03922	0.6
67.05500	0.9
69.03419	1.9
69.17974	3.8
70.06601	1.5
71.04974	1.2
73.02904	0.8
74.06058	0.7
77.03921	3.9
79.05480	3.2
81.03403	2.4
82.06574	7.1
84.08124	1.3
85.02888	6.5
87.04449	0.9
90.82291	0.6
91.05466	3.4
93.07042	0.8
94.06561	4.6
95.04955	16.1
96.08121	1.7
97.02879	2.1
98.06042	1.0
99.04438	1.6
100.07600	0.7
103.03953	0.9
103.05426	1.4
105.03379	100.0
105.04396	5.9
105.07038	1.8
106.03680	1.9
107.04939	1.5
108.08121	1.6
109.02854	1.7
109.06501	1.5
111.04456	0.8
112.07603	1.7
112.30395	0.7
115.05459	2.0
117.07037	1.2
119.08593	0.9
121.06531	0.9
123.04429	2.3
124.07575	2.2
125.02344	2.6
127.03917	2.2
127.81245	0.8
128.06221	0.8
129.07002	2.6
131.08522	1.5
133.06483	0.8
133.15340	0.8
135.04362	0.8
137.05971	1.9
137.42610	0.8
139.03940	0.9
141.07007	2.2
143.08583	1.4
145.06464	2.5
146.09621	0.8
147.04344	1.1
147.08052	1.9
149.05951	1.2
153.06979	1.6
155.08554	2.5
157.06476	1.6
157.10071	0.8
158.09558	0.9
159.08067	1.3
161.06007	1.1
162.09178	1.1
164.10625	0.8
165.06920	1.1
167.07056	2.2
167.08569	2.3
170.09531	0.7
171.08009	2.1
173.05948	0.6
173.09604	0.7
175.07394	0.7
177.05452	1.8
178.07664	0.9
179.08592	1.9
181.06548	0.9
185.09648	0.9
188.10616	0.8
191.08508	0.8
193.10098	1.7
195.08107	2.0
195.11710	0.8
197.08083	1.8
197.09718	1.1
202.07912	0.7
205.10234	1.3
207.08073	1.2
208.08627	0.9
209.08015	1.6
209.09784	0.9
221.09619	1.1
225.09096	0.8
233.09596	1.0
238.12367	0.7
249.09102	1.2
251.10582	0.9
294.14810	1.3
305.94299	0.8
322.14288	1.2
372.18069	2.3
462.18878	1.0
476.20508	1.7
494.21469	4.3
508.23581	0.9
512.22479	5.6
526.24274	17.0
527.24695	0.9
544.25342	47.0
545.25555	2.7
554.26373	0.9
572.25348	1.2
586.26422	0.9
604.27332	75.1
605.27631	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3109
Annotation	Hokbusine A
Peak:m/z	Relative Intensity
50.90967	0.3
51.02366	1.1
52.65151	0.3
52.75151	0.3
53.03920	1.2
55.01851	0.6
55.25811	0.3
56.05016	1.8
58.06591	7.3
63.02409	0.3
67.05492	0.5
70.74178	0.3
71.04980	0.4
72.08140	0.6
75.04442	0.9
77.03915	2.6
79.05470	1.5
80.04999	0.5
81.03409	0.5
84.08121	1.1
85.02900	1.9
86.06020	0.5
87.04478	0.3
88.07611	0.6
91.05463	1.5
93.05730	0.3
94.06549	0.6
95.04956	9.6
96.08110	0.7
97.02858	0.8
98.09684	0.3
98.23467	0.5
102.09148	0.4
105.03377	62.1
105.04516	3.3
105.07015	0.9
106.03713	0.9
107.04944	0.4
108.08117	1.6
109.06514	0.9
111.04427	0.6
111.07967	0.4
112.07588	0.6
115.05476	0.5
117.07024	0.9
120.08105	0.6
121.06503	0.8
121.08895	0.4
122.09665	1.4
123.04415	0.9
123.08095	0.5
124.07580	0.4
125.02322	1.1
128.06213	1.1
129.06979	2.1
130.14012	0.3
131.04890	0.4
131.08563	0.8
133.06471	0.4
134.09671	0.7
137.05981	0.3
141.06981	1.3
143.08543	0.9
145.06465	0.7
146.09634	0.4
147.08005	0.4
152.10681	1.6
153.07013	0.7
154.07700	0.4
155.08548	2.0
157.10124	0.4
158.09633	0.9
159.08073	0.6
160.07539	0.4
160.11217	0.4
162.09161	0.4
165.06956	1.6
167.07240	0.5
167.08627	1.1
169.08740	0.4
169.10162	0.8
170.07289	0.4
171.08014	0.4
171.10503	0.4
172.11224	1.3
173.09601	0.6
174.12843	0.4
178.07767	0.6
179.08582	1.2
181.10175	1.2
182.11816	0.7
183.08099	0.6
184.11243	1.0
185.09671	1.0
185.12073	0.5
186.12779	0.9
187.11185	0.5
190.07819	0.4
190.12334	1.3
191.08565	0.9
193.10162	1.0
195.08051	0.8
196.11247	0.4
197.09702	0.7
197.12010	0.3
198.12767	0.9
202.07845	0.8
203.08594	0.8
205.10191	1.2
207.08119	0.7
207.11742	0.7
209.09787	0.6
210.12881	0.6
211.13477	0.4
212.10844	0.4
214.12231	0.5
215.08603	0.4
216.13837	0.6
217.10255	0.6
219.08029	0.5
220.08812	0.5
221.09674	0.9
223.11244	0.9
225.09061	0.5
228.14023	0.4
229.10257	0.4
233.09691	1.3
235.11243	0.6
239.10909	0.3
245.09445	0.4
251.10690	0.5
261.09161	0.6
263.10858	0.4
264.13696	0.3
265.12262	0.5
293.11969	0.4
326.17578	0.5
327.12335	0.3
340.15555	1.4
344.18961	0.4
368.18750	0.4
372.18326	0.4
428.18307	0.4
466.22449	0.5
478.22321	0.6
480.23422	0.4
484.24139	0.4
490.22549	1.0
496.23709	1.3
508.23199	1.8
510.25162	0.4
522.24744	2.8
526.24707	0.5
540.25879	1.5
544.25226	2.8
554.27399	9.9
555.28284	0.6
572.28278	2.6
586.30365	1.3
604.31226	100.0
605.31702	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	604.3106
Annotation	Benzoylaconine
Peak:m/z	Relative Intensity
51.02365	1.1
53.03936	1.8
55.05489	0.7
57.03410	0.7
58.06586	4.2
59.04999	6.2
67.05484	1.1
70.06580	2.2
71.04987	1.0
72.08143	1.2
75.04472	2.7
76.10642	0.6
77.03924	1.2
79.05478	1.7
80.05049	0.7
81.03420	1.0
81.07038	0.8
85.02882	3.2
85.06533	0.6
87.04507	0.6
91.05449	2.4
93.07021	0.8
94.06532	1.1
95.04949	9.2
96.08095	0.6
98.23442	1.4
103.05534	0.6
105.03383	62.0
105.04391	3.5
105.07015	1.1
106.03737	1.1
108.08092	1.7
109.02873	0.6
109.06503	2.0
109.10141	0.8
111.04396	1.1
111.07993	0.7
112.07590	1.0
117.07005	1.9
117.09104	2.0
119.08553	0.7
120.08080	1.3
121.06502	1.5
121.10101	0.6
123.04425	0.7
124.07578	1.1
128.06204	0.7
129.07011	1.4
131.08534	1.8
133.06567	0.6
135.08073	1.6
136.07584	0.6
137.05983	1.0
138.09111	1.2
139.03870	1.4
140.07083	0.5
141.06970	1.6
143.08545	1.3
145.06499	0.8
147.08006	0.6
152.10745	0.8
153.06973	1.3
155.08513	1.9
158.09601	1.0
159.08043	1.7
160.11322	0.7
165.06993	1.9
166.07613	0.6
167.08562	1.6
171.08083	1.0
172.11165	0.9
175.13342	1.1
178.12207	0.7
179.08554	2.2
181.06490	0.7
188.10770	0.9
190.12140	0.6
191.08548	0.9
193.10207	1.4
195.08154	0.6
202.07724	1.4
203.08534	1.6
204.09283	0.6
205.10141	1.7
207.07959	0.9
209.09723	1.0
215.08566	1.1
216.09396	0.7
216.13901	0.6
217.10051	1.6
219.11674	1.0
221.09566	1.7
223.11270	1.0
229.10095	1.0
231.11679	0.6
233.09595	1.3
234.12819	0.6
235.11136	1.0
237.08891	0.6
247.11140	0.9
262.12204	0.7
286.15826	0.8
378.20715	0.6
394.05380	2.8
396.21295	0.6
408.17712	1.1
412.67819	0.6
416.24084	0.8
428.24268	1.6
442.25726	2.7
460.27084	4.1
462.33292	0.7
464.20581	0.8
490.22363	0.7
492.29517	9.6
493.29953	0.9
494.21698	0.9
496.22281	0.6
508.22778	1.1
522.24323	1.7
544.25812	2.6
554.27905	4.0
570.28589	0.6
572.28467	1.1
586.28766	0.6
603.31647	0.6
604.31311	100.0
605.31512	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	606.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
53.03936	0.8
55.00175	0.2
58.06601	0.4
58.10555	0.2
62.06135	0.2
65.03928	0.4
69.03416	0.3
69.13530	1.1
69.13931	0.6
70.06587	0.6
71.04990	0.3
74.06070	0.9
75.04470	1.7
77.03918	1.1
79.05476	0.6
81.03449	0.4
81.20555	0.3
82.06583	0.5
84.08144	0.4
85.02896	1.0
88.07622	0.5
91.05473	1.2
93.03399	0.4
94.06551	1.5
95.04955	4.6
95.27975	0.2
97.02876	0.7
98.22582	0.4
100.07551	0.3
103.05413	0.3
105.03378	25.4
105.04516	1.2
105.07022	0.5
106.03720	0.7
107.04978	0.4
107.07343	0.2
108.08115	0.6
109.02878	0.4
109.06515	0.7
110.06029	0.4
111.04438	0.8
111.08050	0.3
112.07561	0.2
114.66545	0.2
115.05456	0.9
116.06199	0.3
117.07004	0.9
119.08600	0.4
120.08119	0.3
120.26427	0.2
121.02853	0.4
121.06493	0.4
122.87704	0.2
123.04431	0.7
124.07619	0.4
125.02351	0.7
125.06018	0.7
128.06198	1.4
129.06984	2.8
131.04921	0.4
131.07312	0.4
131.08585	1.0
132.08086	0.5
133.06502	0.3
137.05983	0.4
138.09140	0.7
139.03900	0.6
141.06934	1.2
142.07761	0.3
143.08490	1.0
144.08083	0.9
145.06502	1.0
145.08853	0.5
146.09656	0.8
147.08035	0.5
149.02382	0.5
153.05469	0.5
153.06972	0.6
155.04906	0.4
155.08542	1.1
157.06461	0.6
157.08875	0.3
158.07314	0.3
158.09641	1.0
159.08002	1.5
159.10466	0.4
161.09581	1.0
161.86174	0.2
165.06970	0.6
166.07600	0.3
167.08560	0.8
168.08006	0.3
169.06464	0.7
169.08841	0.4
170.09627	2.0
170.67178	0.3
171.08049	1.0
171.10440	0.4
172.11192	1.2
173.09601	0.8
174.09134	0.4
176.10625	0.4
178.07770	0.6
179.08505	1.2
181.06508	0.3
182.09653	0.8
183.08000	0.5
183.10420	0.4
184.08858	0.4
184.11226	0.2
185.09604	0.4
186.09045	0.5
187.07455	0.3
187.09998	0.4
188.10733	0.4
190.07663	0.2
191.08559	0.5
193.10132	0.8
194.09642	0.5
195.08014	0.6
196.11246	0.4
197.09592	0.4
198.09108	0.5
199.07547	0.6
200.10689	0.5
201.09158	0.4
202.07784	0.4
202.12288	0.8
203.08542	0.7
204.09450	0.2
205.10199	0.6
207.08073	0.9
208.08849	0.3
209.09651	0.8
212.10605	0.5
213.11664	0.3
214.12160	0.5
215.08542	0.3
218.07220	0.3
219.07988	0.6
220.08807	0.3
220.11192	0.3
221.09657	1.1
223.11412	0.3
224.10544	0.3
228.10205	0.3
231.08167	0.6
232.08871	0.4
232.11075	0.2
233.09641	0.7
235.07541	0.4
235.11273	0.3
237.09109	0.6
238.12149	0.3
245.09621	0.3
246.14923	0.3
247.07570	0.4
247.11491	0.3
249.09172	0.5
250.09854	0.3
250.12343	0.8
251.10657	0.3
253.08952	0.3
254.11667	0.2
261.09161	0.4
262.12158	0.3
264.13806	0.2
278.11911	0.3
279.10236	0.4
280.13449	0.2
281.11453	0.3
291.10184	0.3
324.16010	0.3
352.15244	0.4
423.21432	0.2
466.18222	0.4
474.18985	0.2
492.20023	0.4
498.21341	0.4
506.21664	0.8
510.21371	0.4
512.22742	0.3
524.22791	3.0
542.23639	0.9
556.25354	6.3
557.25702	0.3
574.26324	1.6
588.28070	1.8
606.28955	100.0
607.29272	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	606.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
51.67652	0.2
53.03941	0.8
55.01879	0.2
56.73217	0.2
58.06608	0.4
65.03941	0.3
67.05503	0.4
69.03416	0.3
69.37614	0.4
69.38014	0.8
70.06583	0.9
71.04977	0.7
74.06084	0.7
75.04462	1.9
77.03917	1.3
79.05492	0.6
81.03410	0.4
82.06573	0.6
84.08163	0.4
85.02882	1.2
87.04473	0.3
88.07622	0.5
91.05470	1.7
91.84609	0.3
94.06567	1.5
95.04961	5.5
95.05524	0.4
97.02881	0.8
98.06059	0.4
103.05475	0.4
105.03381	31.2
105.04527	1.5
105.07016	0.7
106.03719	0.5
107.04964	0.3
107.07333	0.6
108.08111	0.9
109.02878	0.5
109.06505	0.5
111.04426	0.7
114.09170	0.4
115.05454	1.1
117.07028	1.1
121.02872	0.7
121.06504	0.6
122.06040	0.6
123.04441	1.2
124.07537	0.4
125.02346	0.8
125.05974	1.3
126.09158	0.2
128.06186	1.4
129.06989	3.5
131.07596	0.2
131.08517	1.3
132.08078	0.5
134.09627	0.3
135.08069	0.5
136.07561	0.3
137.05971	0.3
138.09151	1.4
139.03926	0.6
141.06984	1.8
142.07733	0.3
143.08511	1.4
144.05685	0.3
144.08060	1.5
145.06470	0.7
145.08849	0.9
145.09982	0.3
146.09616	1.7
149.02336	0.7
153.05540	0.5
153.07005	1.0
155.04897	0.6
155.07330	0.3
155.08562	1.2
157.06511	0.8
157.08870	0.8
158.09581	1.2
159.06863	0.4
159.08041	2.0
159.10301	0.4
160.11176	0.3
161.05884	0.3
161.09634	0.8
165.07030	1.1
166.07774	0.3
167.08594	0.5
168.08165	0.4
168.10175	0.5
169.06505	1.0
169.08865	0.4
169.10269	0.3
170.09628	2.6
171.08055	1.0
171.10413	0.5
172.11186	1.2
173.09637	1.1
174.09143	0.5
178.07838	0.8
178.12323	0.3
179.08504	1.4
181.06456	0.5
181.10132	0.5
182.07283	0.3
182.09651	0.5
183.10336	0.3
185.09532	0.6
186.09192	0.7
187.07541	0.6
188.10646	0.5
189.09077	0.3
189.11557	0.3
190.07808	0.4
191.08597	0.6
193.10175	0.8
194.07382	0.3
194.09668	0.5
195.08090	0.9
196.11252	0.6
198.09175	0.9
199.07518	0.7
200.10677	0.8
201.09073	0.4
201.11464	0.3
202.07866	0.4
202.12285	1.0
203.08601	0.7
204.13814	0.4
205.06573	0.3
205.10172	0.9
207.08051	1.3
208.08824	0.5
209.09686	0.7
212.10727	0.7
214.12299	0.8
217.10077	0.3
218.07408	0.4
219.08041	0.7
220.08781	0.5
221.09673	1.2
223.07697	0.3
223.11215	0.6
224.08220	0.3
225.09174	0.4
226.12172	0.3
228.10115	0.3
231.08138	0.6
231.10289	0.3
233.09598	0.8
234.12788	0.4
235.07591	0.5
235.11215	0.5
237.09190	0.6
238.12192	0.3
246.14934	0.5
249.09119	1.1
250.12360	0.6
251.10745	0.3
253.08597	0.3
254.11853	0.4
261.09134	0.5
263.10648	0.6
264.13834	0.3
265.12170	0.5
266.11987	0.3
268.13437	0.3
276.10422	0.3
278.11755	0.5
279.10129	0.6
291.10284	0.3
292.13373	0.4
320.12842	0.4
370.16620	0.4
466.18689	0.6
474.19318	0.4
492.20297	0.5
500.22406	0.3
506.21820	1.1
510.20831	0.6
512.22711	0.3
524.22711	4.0
525.23132	0.4
542.23773	1.2
556.25378	8.0
557.26019	0.5
574.26440	1.7
588.27789	2.1
606.28973	100.0
607.29205	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.2
51.02365	0.4
53.03922	0.7
55.01854	0.3
56.05026	1.1
57.03426	0.3
58.06591	3.8
65.03913	0.4
67.05480	0.7
67.21662	0.2
69.03419	0.5
70.06555	0.5
71.04979	0.4
75.04456	0.6
77.03904	0.8
79.05470	0.8
80.04993	0.3
81.03397	0.5
82.06560	0.8
83.04941	0.4
84.08122	0.6
85.02882	1.3
87.04446	0.7
88.07614	0.6
90.41989	0.2
91.05471	1.4
93.03365	0.3
93.07043	0.2
94.06554	0.4
95.04955	4.3
96.08105	0.7
97.02879	1.2
97.06525	0.2
98.09666	0.2
99.04468	0.3
103.03947	0.3
103.05470	0.3
105.03378	24.8
105.04398	1.8
105.07021	0.8
106.03686	0.3
107.04939	0.4
108.08077	0.9
109.02895	0.4
109.06480	0.5
110.09643	0.3
111.04420	1.0
111.08118	0.2
111.10452	0.3
112.07580	0.6
115.03910	0.5
115.05415	0.9
117.07002	1.3
119.04942	0.4
119.08542	0.3
120.08059	0.4
121.02834	0.9
121.06502	0.5
121.08867	0.8
122.09645	0.9
123.04402	0.7
124.07573	0.5
125.02314	1.0
125.05980	0.8
127.03891	0.2
128.06215	1.6
128.10683	0.2
129.06985	3.9
130.06525	0.4
131.04906	0.3
131.07552	0.3
131.08543	1.9
132.08066	0.5
133.06461	0.3
134.09642	0.4
135.08076	0.3
136.07530	0.5
137.05942	0.3
138.09099	0.6
139.03879	0.8
141.06963	1.7
142.07727	0.5
143.08511	1.4
144.08015	0.5
145.06464	0.8
145.08888	0.6
145.10042	0.2
146.09622	0.6
147.04408	0.4
147.08049	0.6
148.11253	0.2
149.02322	0.5
150.09058	0.2
151.03885	0.2
152.06244	0.2
152.10657	0.3
153.05579	0.4
153.06973	0.6
154.07623	0.3
154.08717	0.3
155.04874	0.3
155.06009	0.2
155.08501	1.1
156.08047	0.3
157.05023	0.3
157.06491	0.8
157.08878	0.4
158.07262	0.3
158.09641	1.2
159.08037	1.4
159.10394	0.8
160.11180	2.0
161.05995	0.2
161.09598	0.9
162.09038	0.3
163.07535	0.3
164.10747	0.2
165.05786	0.2
165.06937	1.0
166.07762	0.5
167.03368	0.2
167.08521	1.1
168.08080	0.2
169.06427	0.9
169.10097	0.5
170.09619	0.5
171.08093	0.9
171.10379	0.3
172.07571	0.3
172.11212	0.9
173.05980	0.3
173.09587	0.4
173.11917	0.2
174.09195	0.2
174.12746	0.3
175.07561	0.3
176.10684	0.3
178.07735	0.9
178.12206	0.2
179.08510	1.4
181.06491	0.6
181.08707	0.2
181.10097	0.5
182.09642	0.4
182.11729	1.0
183.08015	0.9
184.11177	0.8
185.05927	0.3
185.09573	0.5
185.11937	0.5
186.09163	0.3
186.12750	1.1
187.07498	0.3
188.10712	0.4
189.11432	0.2
190.07751	0.7
191.08566	0.9
192.09239	0.3
193.06421	0.3
193.10170	1.0
193.11743	0.2
194.07324	0.3
195.07954	1.0
197.06073	0.2
197.09608	0.5
198.09111	0.3
198.12718	0.3
199.07562	0.5
199.11185	0.2
200.10657	0.4
201.09142	0.3
202.07721	0.3
202.12209	0.9
203.08521	0.6
204.13847	0.2
205.06789	0.2
205.10114	0.7
207.08099	1.3
207.09818	0.2
208.08777	0.5
208.11037	0.4
209.09648	1.0
210.09186	0.2
210.12752	0.4
211.07532	0.3
211.11194	0.4
212.10667	0.6
213.09142	0.3
215.08684	0.2
215.10867	0.2
216.13805	1.3
218.07281	0.4
218.11845	0.3
219.08020	0.6
220.08858	0.4
221.09674	1.0
221.11595	0.2
222.10315	0.2
223.07584	0.3
223.11108	0.5
224.10629	0.3
225.09081	0.6
226.12267	0.4
228.13744	0.4
230.11798	0.2
231.08139	0.4
232.08878	0.3
233.09641	0.5
235.07527	0.5
235.11165	0.6
237.09058	0.4
237.11307	0.2
238.12363	0.3
239.10643	0.3
240.13858	0.3
242.11813	0.5
245.09637	0.3
248.08250	0.3
249.09119	0.7
250.09923	0.3
250.12347	0.4
251.10614	0.4
253.12222	0.2
254.11742	0.3
258.14917	0.3
260.10529	0.2
261.09113	0.4
263.10638	0.5
263.13223	0.2
264.13751	0.3
265.14569	0.2
267.10281	0.3
268.13342	0.4
272.12833	0.3
279.10068	0.3
281.11697	0.2
282.15076	0.3
287.05444	6.2
292.13458	0.3
299.12759	0.2
306.14725	0.3
309.11130	0.3
310.14310	0.3
324.15817	0.2
358.16461	0.3
372.18784	0.3
376.17459	0.8
384.18121	0.5
398.18976	0.2
402.19199	0.6
408.20111	0.3
410.21561	0.3
416.20651	0.4
420.20074	1.6
422.21930	0.2
433.11542	0.4
434.21774	2.6
452.22855	1.7
466.24570	0.2
484.25470	0.8
506.22021	0.4
510.20782	0.3
524.22595	0.6
542.23999	0.4
543.27112	0.2
556.25360	6.4
557.25867	0.5
574.26367	1.4
588.28064	1.1
606.28986	100.0
607.29407	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	606.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73657	1.1
51.02370	1.1
52.76762	0.9
57.07071	7.4
58.06581	1.5
64.46799	1.0
67.05479	2.3
69.03418	1.1
70.06577	1.2
71.04987	1.3
74.06053	2.6
79.05469	2.6
81.07021	3.2
84.08166	1.3
85.02888	2.0
91.05453	5.0
93.07009	2.4
94.06546	2.6
95.04939	3.7
95.08555	1.1
102.90552	0.9
105.03388	12.6
105.04498	1.1
105.07012	4.3
107.08571	1.7
108.08071	2.1
116.07034	1.4
117.06999	2.3
118.47587	1.1
119.04910	1.4
119.08581	2.4
121.06452	1.6
126.71996	1.2
127.03826	1.1
128.27942	1.2
129.06967	2.2
131.08543	2.1
132.08057	2.2
135.08058	1.9
139.45503	1.1
142.07782	1.4
143.08522	2.4
145.02777	2.9
145.09981	1.5
147.08020	1.5
148.11169	1.3
149.05997	1.1
155.08510	3.0
157.08809	2.9
157.09985	2.0
158.09628	10.2
165.06931	2.1
167.08525	1.3
169.10109	2.9
174.09076	2.4
177.05472	6.8
177.09004	1.1
178.07697	1.5
179.08490	3.0
180.09288	1.7
181.10077	3.1
184.11061	1.1
192.09218	2.4
193.10083	3.8
195.11615	2.7
204.09181	1.4
205.10101	2.0
207.11623	2.3
209.13126	1.9
209.59108	1.0
217.71899	1.1
219.11620	2.6
235.64124	1.1
249.12537	1.1
252.13669	1.4
276.17368	1.4
294.18387	5.1
304.16788	1.6
312.19647	2.2
322.17944	7.9
340.18921	2.9
352.24017	1.2
354.20462	1.7
382.20087	9.4
442.25839	1.9
456.27325	6.6
460.26678	3.3
484.26859	21.1
485.26907	1.3
492.29559	5.8
504.23383	4.1
606.30066	100.0
607.30536	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	607.1651
Annotation	CHEBI:68877
Peak:m/z	Relative Intensity
55.01867	12.6
57.03433	2.9
59.05000	0.3
61.02923	2.0
69.03058	0.5
69.03420	8.4
71.01336	1.2
71.04982	0.6
73.02903	0.4
85.02889	3.9
87.04448	1.6
97.02885	12.2
105.03389	1.5
107.04922	0.3
109.02917	0.3
111.00806	0.7
115.03917	30.6
121.02866	1.4
129.05472	0.4
129.06979	0.3
133.02827	0.5
144.47664	0.2
147.04410	0.5
153.01797	2.3
157.04964	2.0
157.06123	0.4
165.01834	1.0
175.05997	10.9
183.02815	0.6
190.21597	0.3
213.05493	0.8
231.06279	0.4
238.20590	0.3
241.04961	0.6
258.05188	0.7
259.05957	0.3
287.05457	100.0
288.05823	2.5
299.05582	0.4
329.06375	0.4
383.07611	0.4
433.11179	4.8
557.25464	0.3
606.28973	4.0
607.29315	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	607.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06801	0.2
56.48431	0.1
57.03415	0.3
64.64873	0.2
64.83090	0.1
68.99797	0.3
69.03419	16.2
69.99430	0.4
71.04967	0.5
73.02896	0.2
85.02895	1.4
85.46478	0.2
87.04478	0.2
91.90944	0.2
97.02879	14.5
105.03402	0.8
107.04937	0.3
111.00792	0.5
111.04457	0.3
115.03915	12.7
121.02844	2.3
129.05426	0.3
129.06924	0.2
133.02818	0.3
137.02316	0.5
147.04355	0.4
153.01805	2.7
157.05005	0.2
165.01797	1.1
166.72528	0.2
171.04507	0.2
175.06009	0.2
183.02870	0.6
185.05853	0.2
203.03470	0.2
213.05402	1.0
231.06436	0.6
241.04892	0.6
258.05197	0.7
259.06168	0.3
284.48883	0.2
286.04248	0.2
287.05450	100.0
288.05750	2.3
299.05600	0.3
330.74368	0.2
365.06311	0.2
433.11249	4.3
461.10077	0.2
606.28943	0.9
607.28851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91293	0.3
55.05494	0.8
58.06577	0.5
60.04511	1.4
61.18433	0.3
61.43776	0.3
61.89118	0.3
67.05477	0.7
69.03416	0.7
69.07063	0.8
70.06603	0.4
79.05486	0.9
81.03412	0.7
81.07057	1.2
82.06538	0.3
83.91231	0.3
85.02893	0.9
91.05467	0.9
93.07057	0.6
94.06573	0.6
95.04955	0.7
95.08604	1.2
97.02881	0.5
98.09795	0.3
98.97635	0.5
105.03378	0.7
105.07049	0.5
107.08652	0.4
109.10151	0.6
119.08577	0.6
120.08102	0.5
121.10145	0.5
125.09610	0.4
138.09149	1.2
145.02820	0.5
145.10048	0.6
156.10245	0.7
168.71609	0.4
177.05409	1.8
287.05396	0.4
376.04001	0.4
395.11044	2.8
410.13278	8.3
426.32385	0.7
444.33246	2.4
445.33362	1.4
607.21338	100.0
608.21436	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	607.2543
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
54.15754	0.3
55.05509	0.5
58.77999	0.4
59.60398	0.4
67.05486	1.2
79.05484	1.2
81.07043	1.3
91.05479	1.3
93.07061	0.8
95.08577	0.8
96.09555	0.4
105.07009	1.1
107.08562	0.7
114.59998	0.4
119.08546	0.7
129.06975	0.4
133.10071	0.6
147.11650	0.6
184.07321	0.4
195.11682	0.5
197.10692	0.6
206.82620	0.4
219.17386	0.4
221.10893	0.4
233.42645	0.4
374.15530	0.7
375.16159	0.7
387.16327	0.7
388.16779	0.8
389.17767	2.9
390.18478	1.1
391.19345	1.6
402.18445	0.6
403.19366	5.1
404.19974	1.7
405.20740	3.6
415.19455	0.7
416.16235	1.2
417.17078	3.9
417.21219	1.9
418.17624	1.3
418.22101	0.8
419.22641	4.8
420.22754	0.5
430.17233	0.9
431.18176	7.6
432.19061	3.1
433.20050	4.2
445.20041	5.0
446.20914	6.4
447.21756	7.5
448.22772	0.7
459.21884	1.7
460.18451	0.6
461.19821	1.6
462.24384	1.0
473.18991	0.9
474.20285	5.9
475.21167	4.2
477.23029	0.7
478.23669	0.9
487.21539	1.9
491.20288	3.5
501.22766	0.9
505.22675	1.0
506.23053	0.7
519.23981	14.5
520.24158	0.8
547.23279	12.8
548.23694	0.6
579.26007	5.4
607.25403	100.0
608.25751	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	607.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05475	3.0
79.80260	3.2
81.36864	3.5
93.07027	3.6
157.66086	3.0
162.27072	3.3
197.78014	3.1
241.41481	3.2
248.10220	2.9
329.35159	3.6
403.19131	7.0
417.20828	4.1
431.18674	9.8
433.23758	6.6
445.19894	9.8
446.20630	6.5
447.21378	3.5
459.21738	4.9
460.22595	16.6
461.22745	7.4
498.72314	3.2
547.26892	38.5
607.29102	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.05500	0.6
56.88663	0.4
57.07057	0.5
67.05497	0.8
69.57986	0.4
71.08629	0.4
81.07050	0.9
90.35872	0.4
92.26817	0.3
93.07024	0.5
95.05028	0.4
95.08599	0.4
101.53455	0.4
109.10060	0.4
112.31068	0.4
168.08270	0.4
275.20074	0.4
344.26929	0.4
348.69144	0.5
357.29507	0.4
377.76514	0.4
387.16217	0.6
389.17783	1.2
390.18842	0.4
402.18314	0.9
403.19067	2.2
404.19922	1.2
405.20853	1.4
415.19296	0.6
416.15280	0.5
416.20096	1.3
417.16040	0.7
417.21182	4.4
418.21521	2.1
419.22314	3.8
420.22906	0.5
430.17670	1.1
431.18130	8.9
432.18710	2.3
433.24033	9.2
434.24500	1.2
445.19803	8.9
446.20590	5.5
447.21619	4.6
449.23651	0.5
459.21384	5.0
460.22458	12.0
460.28458	0.7
461.23276	13.7
462.24026	0.6
473.23636	3.6
474.24026	1.3
477.22849	0.8
487.24933	1.9
488.25632	0.9
489.22855	0.4
490.74942	0.4
491.24445	0.6
492.25070	0.8
504.25183	0.5
505.21344	3.4
506.26651	0.6
518.23596	0.4
519.27576	1.8
532.24799	0.8
533.25482	0.7
547.27008	31.4
548.27130	2.1
575.26733	0.8
577.24609	0.5
578.24854	0.7
579.29791	0.6
607.29065	100.0
608.29437	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	608.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01866	6.4
57.03431	6.0
61.02931	4.7
69.03422	24.3
69.12989	16.1
73.02910	3.2
81.03410	24.2
81.07037	2.5
85.02895	57.2
87.00820	23.2
88.07600	2.4
91.68288	2.3
93.07037	2.5
95.04905	2.3
97.02882	21.1
99.04459	9.7
105.01871	16.5
109.02869	21.5
109.10213	3.4
127.03892	29.0
145.04951	9.2
159.02855	12.3
207.08038	4.6
209.09698	3.6
219.08011	4.6
220.08852	4.4
221.09663	3.2
223.11130	3.4
229.64818	2.5
231.04970	6.8
233.09544	3.6
235.07480	4.8
236.08289	12.4
237.09135	6.4
242.96893	3.3
249.09077	4.4
250.09798	4.9
251.10649	19.4
253.08487	3.0
255.10352	3.2
261.08969	3.6
262.09723	3.1
263.06958	3.6
263.10596	4.0
264.07605	2.5
265.08524	3.5
267.10117	7.4
275.10574	5.2
277.08496	5.5
278.09344	5.0
279.10117	45.5
280.10983	12.3
281.08551	4.8
281.11694	47.8
283.09470	4.3
291.10068	4.4
292.10876	3.0
293.11606	6.7
294.12463	100.0
295.09628	34.9
295.12842	3.4
296.10376	9.5
297.11105	15.4
305.08264	2.5
305.11606	4.1
307.09912	3.9
307.13266	8.7
309.11087	3.6
310.11957	56.3
311.12665	10.2
312.13553	14.0
317.11832	3.4
318.12494	7.5
319.09500	5.7
320.10376	3.3
321.11078	4.4
322.11938	4.0
323.12708	6.6
324.13593	3.2
325.14276	72.1
326.14664	4.0
328.13055	11.6
334.12112	8.0
336.13467	23.4
337.14206	3.6
340.12851	3.1
341.13763	8.4
342.14594	3.2
343.15347	94.5
344.15909	5.9
345.10904	2.7
347.12784	4.4
349.14270	9.8
352.12964	8.9
353.13718	4.9
354.14508	6.9
358.11420	2.8
361.14438	3.3
363.15863	4.0
367.15347	38.6
385.16348	29.9
391.15338	5.3
405.17114	3.9
409.16318	8.9
415.15503	3.6
433.16510	17.7
451.17694	6.0
537.17242	8.6
553.64905	2.7
555.18500	10.1
608.21478	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	608.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.16409	0.3
56.05018	0.5
58.06593	36.7
59.06919	0.4
65.16194	0.3
69.03429	1.0
69.68557	0.3
70.06588	0.9
71.44405	0.3
73.70643	0.3
77.03929	0.3
79.05466	0.4
79.74430	0.3
81.03414	1.0
85.02888	1.6
86.09705	0.7
95.04961	0.9
97.02883	0.9
105.03387	5.8
105.04503	0.5
107.04942	19.2
107.62630	0.3
108.05305	0.4
109.02872	0.9
112.07560	0.4
117.03358	0.4
119.04885	0.3
120.08100	1.7
123.04399	0.4
127.03872	0.4
135.04405	4.1
145.02832	0.9
147.04341	1.0
173.29309	0.3
177.05399	1.9
180.10168	100.0
181.10495	2.0
223.18727	0.3
228.37265	0.3
249.07552	0.6
267.08572	0.7
402.17880	0.5
414.36795	0.3
446.18222	2.7
515.26062	0.3
608.22662	8.0
609.23041	0.5
621.61890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27133	0.4
55.05527	0.5
56.05039	1.7
58.06593	4.7
59.04997	0.7
64.24933	0.4
67.05511	1.0
69.03436	0.8
70.06564	0.9
71.04990	2.2
71.45306	0.5
71.92878	0.4
72.08153	3.8
73.02924	0.7
75.04470	2.5
78.95840	0.4
79.05492	1.6
81.07048	1.1
83.04987	0.5
83.08633	0.6
84.08163	0.6
85.02914	1.2
85.06528	0.7
87.04482	0.4
91.05492	3.4
93.07025	1.2
95.04972	1.2
95.08617	0.8
96.08102	0.5
97.06517	0.5
98.09668	0.5
101.96667	0.4
102.09167	3.8
103.05456	0.6
105.03439	0.5
105.07026	2.2
107.04922	0.5
107.08606	0.6
108.08099	3.3
109.06518	1.3
109.10165	0.6
110.09647	0.6
115.03902	0.6
115.05444	0.7
117.06978	2.3
120.08118	0.5
121.02879	0.7
121.06507	1.9
122.09655	1.1
123.08105	0.6
124.11232	0.8
128.06210	1.0
129.07013	1.7
131.04980	0.5
131.08597	1.9
133.06461	0.8
133.10083	0.8
135.08066	1.9
135.10376	0.5
141.07053	1.3
143.08594	1.4
145.06491	0.5
145.10129	0.6
146.09642	0.7
147.08089	1.5
148.11195	0.7
151.07501	0.5
153.06949	1.0
154.12349	1.3
155.08568	1.7
157.10156	1.0
158.09654	1.2
159.08025	0.7
160.11218	0.8
161.45396	0.6
165.07057	1.8
165.09085	0.7
165.11526	0.6
166.07808	0.8
167.08537	1.5
169.10143	0.9
171.08110	1.0
172.11282	1.4
173.09660	0.5
174.09119	0.6
177.09096	1.4
178.12312	1.6
179.08582	1.6
181.10132	1.0
183.08128	0.6
184.11113	0.8
191.08687	1.0
191.10544	0.6
192.09344	0.7
193.10228	1.2
195.07936	0.4
196.11205	0.6
197.09627	0.7
199.11211	0.9
202.07796	0.7
203.08617	1.4
204.09219	1.1
205.10205	1.9
207.11763	0.9
209.09619	0.6
211.11319	1.0
215.08623	0.9
216.09389	1.0
217.10170	1.3
218.10915	0.6
219.11716	1.2
221.09828	0.5
229.10100	0.5
231.11710	1.3
233.13280	1.3
235.11308	0.5
237.12772	0.8
243.11765	0.7
245.13348	0.7
246.12917	0.5
247.11266	0.7
262.15714	0.6
263.14313	1.2
276.17389	1.0
288.17520	0.9
290.15466	0.5
292.17084	0.8
295.17072	1.1
306.18503	0.9
320.20270	1.0
338.21198	1.3
352.22836	1.2
354.20651	0.9
356.22452	0.6
366.20648	1.6
380.22003	2.1
384.21625	1.2
384.25851	0.7
412.24734	10.8
416.24286	6.7
444.27396	39.0
445.27994	1.8
457.09805	0.7
460.27084	1.2
463.69894	0.5
476.30042	32.9
477.30463	1.6
516.11285	1.0
544.10748	3.7
576.35223	0.8
608.37952	100.0
609.38159	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	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03941	0.9
55.01855	1.5
55.05503	11.2
57.03424	2.5
57.07076	1.3
65.03921	1.7
67.05495	24.0
67.05859	1.2
69.07056	11.7
71.04975	1.5
71.08601	0.7
79.05480	16.8
81.07044	25.1
83.04958	0.7
83.08604	6.0
85.06524	1.1
91.05461	14.2
93.07030	17.9
95.04955	2.4
95.08593	20.7
97.06525	3.0
97.10155	3.2
98.44861	0.6
105.04512	0.7
105.07011	14.1
106.07346	0.6
107.04925	1.0
107.08572	12.2
109.06474	1.0
109.10139	10.2
111.04443	0.9
111.08073	1.0
117.07009	8.4
119.08559	15.2
121.10130	9.7
123.11707	2.0
125.09647	1.9
128.06213	1.4
129.06981	9.3
131.08539	11.6
131.09442	0.9
133.10110	10.6
135.11658	6.1
137.09628	0.9
137.13220	1.0
141.06992	4.2
142.07736	1.7
143.08525	10.5
145.10097	14.5
147.11690	6.5
149.09659	1.5
149.13268	2.9
154.07877	0.8
155.08528	9.2
156.09305	1.5
157.10118	11.6
158.10832	1.0
159.11674	10.9
161.12065	0.7
161.13203	3.9
163.11057	0.8
163.14806	1.3
165.06970	0.7
167.08517	4.3
168.09293	1.1
169.10100	12.3
171.11671	12.2
173.13251	5.5
175.14844	2.5
179.08600	1.4
179.14352	1.0
181.10069	6.9
182.10905	0.7
183.11676	12.2
185.13249	7.4
187.14748	4.6
189.16362	1.2
193.10059	0.9
195.11646	5.9
196.12473	0.9
197.13225	9.5
198.14029	0.7
199.14813	5.3
201.16296	1.6
207.11708	2.1
209.13226	6.9
211.14818	5.9
213.16409	3.7
215.17950	1.2
219.11787	0.7
221.13280	1.9
223.14783	5.7
225.16318	5.2
227.17979	2.4
229.19518	1.2
233.13251	1.3
235.14839	2.4
237.16251	3.5
239.17999	2.6
241.19684	1.4
249.16328	1.4
251.17883	3.1
252.18709	0.7
253.19675	1.2
257.19064	1.3
263.17844	1.1
265.19604	1.1
267.21234	0.7
275.20102	3.2
277.19403	0.7
279.21152	0.8
283.20441	1.1
297.22018	1.1
305.66989	0.7
309.22198	1.2
311.20261	1.1
321.22003	1.2
323.23785	1.2
325.21655	1.4
325.25540	0.9
335.23340	0.9
337.25235	0.9
339.22925	1.0
339.26804	0.8
349.25323	1.9
351.26874	3.1
355.06866	0.9
361.25275	0.8
363.26871	1.4
365.24432	0.9
365.28586	1.1
367.26376	0.9
377.28378	1.1
379.30173	1.1
389.27890	0.8
391.29828	1.3
393.27621	0.8
405.31543	1.1
445.33957	0.8
447.32526	2.0
461.34061	0.8
499.39432	1.7
501.35776	1.1
517.40387	9.9
521.36108	1.0
535.41394	4.9
539.37372	2.0
553.41803	1.0
555.42517	1.0
573.43726	1.4
591.44019	9.6
609.45050	100.0
610.45233	7.3
636.14154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03927	1.7
55.01857	1.7
55.05505	14.8
57.03429	3.5
57.07059	2.5
65.03929	1.7
67.05495	24.6
68.31806	0.6
69.03422	0.6
69.07058	13.1
71.04964	1.4
72.06895	0.6
79.05481	17.0
81.07044	25.8
83.04962	1.8
83.08608	6.9
85.06532	1.7
91.05446	17.4
93.06442	0.8
93.07033	20.2
95.04971	2.1
95.08593	21.8
97.06526	2.1
97.10124	3.7
99.08093	1.2
105.04523	1.0
105.07018	15.9
107.04949	0.6
107.08578	12.8
109.06501	1.5
109.10139	8.7
111.08061	1.4
115.05437	1.8
117.07008	10.1
119.08566	15.4
121.10133	7.5
123.08050	0.9
123.11723	2.4
125.09653	1.4
128.06218	2.8
129.06989	11.2
130.07768	1.2
131.08556	14.5
131.49861	0.5
133.10107	10.8
135.11679	4.4
137.13239	0.8
138.80331	0.6
141.06967	6.7
142.07744	3.1
143.08545	12.9
144.09410	0.8
145.10101	14.3
147.11682	5.6
149.09642	1.5
149.13232	2.9
153.06952	1.7
154.07756	1.9
155.08542	14.2
155.09773	0.9
156.09315	1.9
157.10118	14.6
158.10912	0.7
159.11659	10.2
161.13239	3.8
163.11198	0.8
163.14792	1.3
165.06976	1.4
166.07806	1.0
167.08531	7.1
168.09343	2.4
169.08791	1.2
169.10123	13.5
170.10846	1.0
171.11668	11.9
171.13045	1.0
172.12367	0.8
173.13229	5.4
175.14836	2.2
179.08604	1.7
180.09302	1.0
181.10100	8.4
182.10973	1.8
183.11668	13.9
184.12286	0.8
185.13232	8.8
187.14748	4.0
189.16391	1.4
191.08563	0.8
193.10019	2.9
194.10893	0.9
195.11656	7.9
196.12340	0.7
197.13239	9.8
199.14825	5.8
201.16396	1.7
203.18028	0.8
207.11646	4.0
209.13234	6.8
211.14760	6.5
212.15295	0.6
213.16417	3.5
215.17986	0.9
219.11684	1.2
221.13226	2.9
223.14786	5.0
225.16379	4.3
227.18033	2.5
229.19563	0.8
233.13260	0.7
235.14830	1.9
237.16327	3.5
239.17969	2.7
241.19722	1.4
245.19223	0.6
247.14844	1.3
249.16389	1.8
250.17188	0.7
251.17972	2.7
253.19641	1.3
255.21317	0.8
257.19089	0.8
259.66510	0.7
263.17978	0.9
265.19528	2.2
267.17288	0.8
267.21234	0.8
271.17010	0.6
271.20331	0.7
275.20132	1.0
277.19467	0.9
281.22656	0.9
283.20468	1.1
285.22394	0.9
289.19431	0.9
290.54019	0.7
291.21060	0.9
293.22287	1.0
297.22159	1.2
301.21918	0.7
307.20605	0.7
307.24295	0.7
309.22086	0.8
321.22311	1.1
323.23660	0.8
325.25305	1.0
335.23450	0.8
337.25195	1.9
349.25177	1.3
351.26764	1.9
355.07010	1.4
363.26889	1.5
365.28470	1.9
367.26157	0.9
375.26828	1.0
377.28265	1.5
379.25925	1.0
381.27704	0.7
393.31717	1.4
395.29407	1.1
419.33307	0.9
423.32468	0.7
435.32477	0.7
439.31534	0.8
447.32541	1.2
449.34048	1.0
475.35233	1.7
499.39191	1.7
501.35818	0.9
517.40387	13.3
518.40814	1.3
521.36310	0.9
535.41357	6.6
539.37238	1.7
540.38446	1.3
553.42657	1.1
573.43188	2.1
591.44000	13.6
609.45068	100.0
610.45483	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	610.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19851	0.3
52.78984	0.3
53.03941	0.4
57.03416	0.4
58.06595	0.4
65.03930	0.6
69.03413	1.9
69.16735	0.7
69.17148	1.1
70.06588	0.5
71.07349	0.4
74.77776	0.3
81.03415	4.0
82.94326	0.3
85.02890	2.9
91.05466	12.7
93.07025	0.3
95.04974	0.4
97.02873	1.1
98.23424	0.6
99.04446	0.4
103.05434	0.4
105.03381	6.0
107.04928	0.6
109.02870	1.7
119.04927	23.6
121.02824	0.3
121.06481	1.4
127.03886	1.1
129.03323	0.5
132.02071	0.6
136.05203	0.3
145.02809	0.5
146.03581	0.6
147.04387	20.8
148.04660	0.4
149.02304	0.7
149.08347	3.2
151.07594	0.3
157.03918	2.4
161.81596	0.4
163.99208	0.3
164.04657	0.5
164.10689	17.1
165.10973	0.3
174.03090	0.8
175.03879	39.8
176.04207	0.8
177.05330	0.5
178.39278	0.3
179.06964	1.9
182.11757	0.7
192.04117	1.2
207.06490	100.0
208.06795	1.9
225.07587	0.6
228.96935	0.3
249.07501	0.3
269.10092	3.6
287.05313	0.8
296.69321	0.3
340.22379	0.4
351.10751	3.8
355.06964	0.5
369.11731	9.1
452.38657	0.3
468.39908	0.3
592.23767	6.5
593.23846	0.7
610.24658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18563	4.5
54.60333	4.5
55.01857	5.6
56.11133	4.4
57.03424	7.6
57.52700	4.5
57.99209	4.6
58.06589	5.6
67.05496	9.8
69.03423	12.5
69.07053	31.9
71.04985	7.8
71.44357	5.9
73.04763	10.6
78.13702	4.7
79.05493	19.9
81.03408	8.8
81.07053	19.4
83.04978	27.6
85.02909	16.9
85.06561	7.1
91.05451	15.2
91.05865	7.5
92.97657	4.1
93.07030	25.6
95.04967	12.7
95.08596	8.8
97.02874	10.9
97.06529	53.2
99.04433	33.7
105.03359	4.3
105.07011	51.0
107.04956	9.8
107.08610	22.7
109.02868	9.2
109.06517	15.0
112.07632	4.8
117.07024	10.6
119.04948	12.6
119.08585	11.1
120.32554	4.5
121.02872	11.8
121.06482	33.2
125.05980	44.5
127.03911	12.1
129.06996	7.4
131.08559	17.9
133.06502	8.6
133.10130	15.1
135.08022	5.8
137.05943	9.7
138.09146	7.1
143.07028	50.8
143.08592	10.0
145.06500	10.3
145.10103	88.2
147.11719	8.7
149.41312	4.5
155.08633	6.1
158.07260	9.5
159.08037	7.5
159.11665	40.0
163.11163	85.3
166.08676	9.3
169.10149	12.9
173.09598	66.4
187.11150	66.1
191.10571	24.1
197.09579	6.8
205.12225	80.7
215.10625	70.7
233.11714	100.0
239.09619	7.1
251.12758	63.3
256.20712	5.0
269.13770	36.4
287.05429	16.2
299.06393	6.4
355.07007	14.8
356.06668	5.6
395.16473	5.3
413.18091	21.9
610.30579	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	610.337
Annotation	Segetalin A
Peak:m/z	Relative Intensity
53.60628	0.6
54.85733	0.5
55.95702	0.6
56.05020	1.6
58.06590	5.3
59.04974	0.6
67.05498	1.3
70.06583	1.3
71.04974	1.3
71.44935	0.6
72.08151	3.2
73.04745	3.4
75.04459	1.9
79.05486	1.8
81.07034	1.0
84.08147	0.8
91.05844	6.2
93.07043	1.2
95.04962	1.5
98.09712	1.1
102.09175	2.1
103.05463	9.5
105.07019	1.9
108.08087	3.3
109.06504	1.4
115.05441	1.4
117.06998	1.8
119.08577	0.8
121.06487	1.1
122.09701	0.8
128.06204	0.8
129.06996	2.1
131.04921	12.8
131.08565	1.4
135.08037	1.9
141.07010	1.5
143.08539	1.8
147.08011	1.4
148.11311	0.6
148.76047	0.6
152.10732	0.8
153.07013	1.1
154.12263	1.4
155.08563	1.7
158.09726	1.1
160.11176	0.6
161.09677	0.7
165.06950	1.7
166.07809	0.7
167.05547	1.6
167.08505	2.8
169.10124	1.4
172.11183	1.0
178.12234	1.8
179.08549	1.7
181.10141	1.9
185.09560	0.9
190.07802	0.6
191.08527	1.2
193.10101	0.9
195.11723	0.6
197.09676	0.6
199.11186	0.7
202.07736	0.8
203.08527	2.0
204.09343	0.8
205.10129	2.3
207.11778	0.8
215.08612	1.5
216.09328	1.0
217.10112	1.2
218.10994	0.6
219.08061	0.6
219.11679	1.0
230.10815	0.6
231.11671	1.0
233.13354	1.0
235.11107	1.0
239.09505	2.4
243.11731	0.8
251.14445	0.7
263.14166	1.1
265.15720	0.7
268.97806	1.7
281.15317	0.6
285.00967	1.9
288.17621	0.7
292.16937	0.8
294.18530	1.0
299.06165	1.4
304.30930	0.7
306.18359	0.7
324.19608	1.0
338.21112	1.0
340.18784	0.6
352.18835	0.8
352.22861	0.9
354.20462	0.8
355.06937	5.2
356.07211	0.8
370.23840	1.2
380.22058	1.6
384.21558	1.1
412.24792	7.4
416.24258	7.7
417.24478	0.6
430.25873	5.3
444.27377	28.8
445.27496	2.6
446.28339	1.1
462.28452	27.5
463.28949	1.1
474.28207	0.7
477.30328	0.8
478.30783	0.8
576.80627	0.7
592.32776	1.1
609.38287	0.8
610.33557	100.0
611.25226	0.7
611.33984	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	610.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.2
55.01873	12.0
55.05511	26.3
57.03434	10.9
57.07070	3.0
59.04996	2.7
65.03915	2.1
67.05499	47.2
67.60512	1.8
69.03427	3.4
69.07050	19.9
69.08252	12.6
71.04975	7.9
73.04760	8.1
79.05486	52.1
81.03418	15.0
81.07047	96.3
83.01343	9.5
83.04974	14.9
83.08620	19.2
85.02885	5.0
85.06533	3.8
87.71259	1.9
91.05467	26.7
91.05859	8.7
93.07032	48.6
95.04956	17.8
95.08602	30.9
97.02862	3.2
97.06519	10.0
97.10136	5.2
99.04443	2.8
99.08130	2.2
103.27048	1.7
105.07027	40.0
107.04945	16.2
107.08585	29.1
108.10982	1.9
109.06506	32.5
109.10179	12.4
111.04469	2.5
111.08082	5.1
117.06233	2.4
117.06997	13.7
119.08553	26.2
121.06507	8.5
121.10154	17.5
123.08067	11.4
123.11698	3.9
125.09644	3.3
129.06984	4.8
131.08537	16.4
133.10126	17.8
135.08087	4.1
135.11668	15.4
137.09608	7.6
143.08542	3.4
145.10107	22.7
147.08051	4.1
147.11649	17.1
149.09608	8.4
149.13246	6.3
151.11177	2.8
153.09012	2.0
153.12785	2.8
155.08548	3.4
157.10094	4.2
159.11685	7.6
159.87311	2.0
161.09584	2.7
161.13234	6.2
163.11168	26.0
165.12717	5.5
167.05569	7.1
169.10220	2.5
171.11659	4.4
173.09616	3.2
173.13289	6.8
175.11182	4.2
177.12865	2.7
181.12210	3.1
187.14763	2.4
191.10620	3.2
193.12206	3.1
209.11703	7.9
227.12747	6.0
239.09464	8.6
239.17805	4.5
247.20560	3.0
257.18933	5.0
266.99872	2.3
267.15927	3.3
268.97797	4.5
275.20016	62.1
283.15372	100.0
285.00931	6.9
293.21078	17.1
299.06122	5.9
325.58606	2.1
349.23697	25.3
355.06998	19.2
356.07211	2.6
367.24707	32.2
393.22961	2.1
418.99155	2.3
557.34741	33.7
575.35754	41.2
610.46136	3.1
611.31482	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	610.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.6
55.01867	12.3
55.05508	45.1
57.03428	13.8
65.93278	4.1
67.05501	46.8
69.03416	6.1
69.07050	18.5
71.04980	11.3
73.04763	20.8
75.88174	3.6
79.05480	53.4
81.03403	19.2
81.07050	48.4
81.07514	6.7
83.01338	6.2
83.04970	19.0
83.08608	29.2
85.02884	7.3
91.05392	19.2
91.05785	39.9
93.07036	56.8
95.04393	7.2
95.04955	67.0
95.08588	26.0
96.92246	6.8
97.06534	5.4
97.10148	8.6
99.04448	9.3
105.04578	5.1
105.07033	36.9
107.04937	15.2
107.08583	42.5
109.06478	17.2
109.10139	11.1
111.04440	9.4
111.08052	7.8
114.07385	5.6
117.07012	20.5
119.08551	30.9
121.06439	5.3
121.10123	19.2
123.08016	10.4
125.09580	17.5
131.08528	17.4
133.10083	16.8
135.08026	6.6
135.11711	23.9
135.48959	4.3
137.09546	6.0
145.10086	27.7
147.07988	9.7
147.11656	11.2
149.09596	22.9
151.11095	4.9
157.10161	5.4
159.11601	9.4
163.11189	44.8
167.05544	12.4
173.09596	5.1
189.11172	7.2
191.00496	4.2
209.11594	6.8
223.13239	39.6
227.12741	13.4
239.09431	17.4
257.18906	11.3
266.99835	5.1
268.97855	10.4
275.20065	49.4
283.03006	6.1
283.15381	100.0
285.00977	12.3
293.21045	26.6
299.06183	19.3
344.97583	8.0
349.23651	16.1
355.06900	43.4
356.06882	10.1
367.24808	26.7
402.96429	5.5
415.03110	5.2
477.28326	9.5
539.33978	4.7
557.34888	11.4
575.35663	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Rutine
Peak:m/z	Relative Intensity
51.02369	0.2
53.03935	0.6
55.01857	0.6
57.03419	0.6
58.06554	0.2
60.02427	0.1
61.02910	1.2
64.10967	0.2
65.03924	0.3
68.45878	0.2
68.99789	0.4
69.03059	0.2
69.03418	3.2
70.03755	0.2
70.06580	1.4
71.04967	0.9
73.02895	0.6
79.05475	0.2
81.03403	2.3
82.03737	0.2
83.01369	0.2
85.02892	8.5
87.04475	0.2
89.38284	0.2
91.03979	0.2
91.05456	1.6
92.05793	0.6
95.04952	1.7
96.05280	0.3
97.02872	3.4
99.04427	0.7
105.03374	10.6
105.04510	0.5
106.03713	2.8
109.02862	1.8
111.00768	0.7
112.07587	0.9
119.04939	1.4
120.05231	0.3
121.02865	0.7
123.04404	0.9
124.04736	0.2
127.03907	2.0
128.04201	0.3
129.05501	0.3
137.02309	2.4
137.05922	0.4
140.07047	0.7
145.04953	1.7
149.02376	0.4
151.07512	8.8
152.07840	2.6
153.01790	2.6
163.03888	0.4
165.01814	1.8
173.06020	0.3
180.09962	0.2
182.11734	6.2
183.02870	0.8
183.12059	2.5
187.03987	0.2
201.05437	1.3
205.04871	0.2
219.06670	0.2
229.04935	3.3
247.05927	0.5
249.07555	1.1
250.07869	0.7
257.04416	2.2
267.08493	0.9
268.08920	0.7
274.04684	0.7
275.05344	0.3
285.03967	0.9
287.05490	1.1
303.04929	100.0
304.05264	3.5
341.46500	0.2
406.53806	0.2
448.19604	0.3
449.10809	3.7
449.19894	0.6
514.25006	0.2
598.41071	0.2
610.24097	0.2
611.25159	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
54.64001	0.2
55.01863	0.3
57.03415	0.5
58.06597	0.2
61.02924	0.8
63.86412	0.1
68.99791	0.4
69.03421	2.2
70.06580	0.7
71.04977	0.3
71.41275	0.1
71.45037	0.1
73.02914	0.2
73.04758	0.3
81.03416	1.3
85.02894	6.3
87.04423	0.2
88.85835	0.1
91.03929	0.3
91.05459	0.2
95.04941	0.2
97.02879	1.9
99.04469	0.4
105.03391	1.3
105.04485	0.2
105.67786	0.2
106.03722	0.3
107.04965	0.4
109.02846	0.8
110.09674	0.3
111.00764	0.5
112.07562	0.8
119.04946	0.4
120.08089	0.2
121.02844	2.0
121.03664	0.2
121.06433	0.2
127.03877	1.2
133.02856	0.4
137.02324	0.6
138.09091	0.5
140.07022	0.3
145.04944	1.2
147.04410	0.5
148.07492	0.2
149.08331	0.3
151.07454	0.4
153.01805	2.8
157.06512	0.2
164.07098	0.2
164.10687	2.2
165.01790	1.2
165.11014	0.8
166.08653	1.3
171.04398	0.2
175.03862	0.6
176.04211	0.2
177.05484	0.3
182.11758	0.2
183.02853	0.3
185.05957	0.2
194.34364	0.2
207.06500	1.3
208.06841	0.8
213.05431	0.6
231.06496	0.6
241.04890	0.7
257.95148	0.2
258.05261	0.8
258.63998	0.2
259.06064	0.5
266.10175	0.7
287.05453	100.0
288.05792	2.5
303.04776	0.8
317.06711	0.3
329.06525	0.4
350.58719	0.2
355.07028	0.2
356.06900	0.2
369.12006	0.2
370.11938	0.2
397.84900	0.2
418.99139	0.2
431.17950	0.5
449.10718	6.4
450.10815	0.2
492.77060	0.2
593.23962	1.1
611.25580	0.4
623.98309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Cyanin
Peak:m/z	Relative Intensity
50.76344	0.1
53.03925	0.4
55.01856	0.3
57.03429	0.7
58.06600	0.2
60.57803	0.1
61.02919	1.0
68.99784	0.5
69.03421	2.4
69.29370	0.6
70.06571	0.5
71.04967	0.3
73.02901	0.4
73.04722	0.1
79.05470	0.2
81.03405	1.1
85.02888	6.3
85.03407	0.3
87.04438	0.2
91.03942	0.3
94.90958	0.1
95.04922	0.3
95.07335	0.1
96.22507	0.1
97.02873	1.9
99.04430	0.3
105.03366	0.9
105.04487	0.2
106.03690	0.2
107.04929	0.3
109.02844	0.7
110.09644	0.3
111.00786	0.8
111.99903	0.1
112.07566	0.3
119.04912	0.2
120.08085	0.4
121.02851	2.5
127.03903	1.6
131.04747	0.1
133.02789	0.4
135.04378	0.2
136.07538	0.2
137.02330	0.7
137.05939	0.2
138.09116	0.5
140.07001	0.2
140.53134	0.1
145.04930	1.0
145.06462	0.3
147.04347	0.7
148.07643	0.2
149.08221	0.1
150.08850	0.1
153.01801	3.3
157.06479	0.3
164.10678	1.2
164.29863	0.1
165.01802	1.8
165.11006	0.3
166.08600	1.3
171.04424	0.2
172.95372	0.1
175.03928	0.3
176.06978	0.2
176.88463	0.1
177.05453	0.2
182.11740	0.3
183.02881	0.7
185.05940	0.5
189.05385	0.1
197.05946	0.2
207.06474	0.5
208.06929	0.3
213.05452	1.2
229.04871	0.2
230.08096	0.3
231.06473	0.6
241.04887	0.8
258.05194	0.9
259.05981	0.3
266.10172	0.7
269.04373	0.2
270.05045	0.1
287.05435	100.0
288.05746	2.6
299.05344	0.3
303.04843	1.1
317.06354	0.3
329.06512	0.3
350.23410	0.2
353.06491	0.1
356.06610	0.1
383.15497	0.2
431.18008	0.8
449.10693	4.9
492.58810	0.1
534.01166	0.1
593.23663	0.8
611.25842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.0
57.03426	4.3
57.07075	3.1
65.03955	2.4
67.05497	42.8
69.07057	13.5
79.05480	27.7
81.03405	2.1
81.07046	39.9
81.07500	3.4
83.08614	9.0
91.05437	30.3
93.07025	32.4
95.02203	2.0
95.04961	5.1
95.08595	31.1
97.06515	3.2
97.10172	6.0
105.04579	2.2
105.07023	28.4
107.08580	15.9
109.10137	12.4
117.07011	11.0
119.08547	25.9
121.10146	20.2
123.11706	5.2
129.06990	7.4
131.08556	21.3
133.10138	19.3
133.91614	2.2
135.11667	13.7
136.43288	2.5
140.27873	2.0
143.08539	10.6
145.10112	14.4
146.67323	1.9
147.07970	2.2
147.11652	13.8
149.13251	6.8
155.08554	4.0
157.10078	12.0
159.11662	19.1
161.13310	9.0
163.14792	2.6
169.10159	4.9
171.11720	9.6
173.13280	7.0
175.14909	5.4
177.16212	2.6
183.11740	8.8
185.13284	9.0
187.14810	4.6
195.11746	3.6
197.13222	4.8
199.14783	4.9
201.16354	2.9
211.14777	2.4
213.16360	4.2
223.25189	2.0
227.17993	2.6
239.18025	2.8
241.19556	6.7
257.18921	4.4
259.20602	15.6
261.22208	3.3
267.15811	2.3
279.47061	2.1
285.22256	2.2
286.01035	2.1
288.78256	2.2
315.23267	3.0
333.24182	12.3
335.25833	17.8
337.27258	2.3
381.31763	1.9
474.58405	2.1
519.42249	8.6
537.42987	2.8
593.45642	9.3
596.68414	2.8
611.46594	100.0
612.47095	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03924	0.8
55.01860	1.0
55.05504	10.4
57.03429	2.7
57.07061	2.4
61.90737	0.5
63.45050	0.4
65.03946	1.2
67.05492	19.2
69.07056	9.5
70.56306	1.1
71.04971	0.9
71.08643	1.3
79.05484	12.1
81.07043	19.0
83.04957	1.3
83.08619	5.5
85.06529	1.1
91.05461	11.0
93.07034	14.7
93.07597	1.0
95.04971	2.2
95.08595	15.1
97.06528	1.7
97.10166	4.0
99.08094	0.8
105.07014	12.4
107.08575	8.4
109.06512	0.7
109.10130	6.6
111.08077	1.1
111.11723	0.5
115.05467	0.7
117.07001	6.3
119.08564	9.1
121.10117	6.1
123.08048	1.3
123.11704	2.2
125.09653	1.2
128.06168	1.0
129.05533	0.6
129.06992	6.1
131.08549	13.2
133.10103	7.9
135.11688	3.4
137.13278	1.1
141.06993	1.9
142.07793	1.2
143.08531	10.0
145.10104	11.4
147.11655	4.7
149.13255	2.2
155.08504	5.2
156.09331	0.8
157.10114	8.4
158.10834	0.6
159.11674	8.4
161.13232	4.3
163.11232	0.7
163.14819	1.3
167.08568	1.6
168.09241	0.6
169.10100	7.0
171.11646	7.4
173.13205	4.1
175.14847	2.0
177.16377	1.3
179.14308	1.0
181.10078	3.7
182.10742	0.6
183.11678	5.9
183.17314	0.6
184.12386	0.8
185.13213	6.7
187.14780	3.9
189.16350	1.6
189.54472	0.6
191.18016	1.5
193.10126	0.7
195.11732	2.8
197.13228	4.4
199.13347	0.8
199.14865	4.2
201.16402	2.1
203.17970	1.2
205.19475	1.2
207.11769	0.9
209.13269	2.4
211.14745	3.9
213.14734	0.6
213.16338	2.5
215.17947	1.9
217.19460	0.6
221.13370	1.0
223.14813	2.2
225.16417	2.3
227.17944	2.0
229.19589	2.6
231.21117	0.7
235.14752	1.2
237.16356	1.4
239.18013	1.6
241.17743	0.9
241.19830	1.0
243.21071	1.1
249.16510	1.3
251.17973	1.5
253.19537	1.0
255.21103	1.3
257.19073	1.2
259.20776	0.6
265.19458	0.6
267.21207	0.9
269.19095	0.5
269.22733	1.2
271.24246	0.6
275.20105	2.7
277.21780	1.1
279.20963	0.6
283.20432	0.8
293.22446	0.7
297.22128	1.2
307.24078	0.6
309.21988	1.0
311.23672	0.9
323.23758	0.9
325.21719	0.8
325.25256	1.0
327.22830	0.7
335.26071	0.6
337.25214	0.8
339.26794	1.4
353.28555	1.8
355.26233	1.1
367.25858	0.8
381.31754	0.9
393.31454	0.6
395.33441	0.6
407.32999	1.0
411.32791	0.6
423.32727	0.7
449.34311	1.8
489.36142	0.6
501.40778	1.8
519.41968	8.0
523.37262	0.8
527.37384	0.8
537.43048	6.0
541.38904	1.1
593.45465	8.8
593.54089	1.0
611.46631	100.0
612.46948	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	611.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18142	1.4
55.05505	16.2
57.03425	5.7
57.07063	4.1
65.03943	1.7
67.05494	42.5
69.07059	17.1
71.04960	1.3
79.05479	28.7
81.07046	44.9
83.08615	6.6
85.06538	1.9
91.05443	23.7
93.07031	36.4
95.04966	3.2
95.08591	37.2
97.06551	1.7
97.10162	3.4
105.04514	1.7
105.07009	27.9
107.08580	20.2
109.06547	1.8
109.10143	15.8
117.07003	11.0
119.08558	26.3
121.10139	18.2
123.11720	5.8
129.06963	7.1
131.08542	20.7
133.10120	20.5
135.11655	13.7
137.13216	2.2
143.08553	10.5
145.10104	22.9
147.11671	19.9
149.13208	9.1
155.08559	5.4
157.10083	14.6
159.11670	15.6
161.13229	12.3
167.08560	2.3
169.10150	4.6
171.11667	15.2
173.13232	13.1
175.13556	1.7
175.14877	6.8
177.12691	2.0
181.10095	3.3
183.11685	6.8
185.13217	12.5
187.14812	5.8
192.29778	1.4
195.11760	3.1
197.13283	4.9
199.14844	8.7
201.16403	3.4
203.23228	1.5
209.13332	3.0
211.14799	4.2
213.16344	5.3
215.17966	4.7
225.16365	2.7
227.18152	2.9
231.20995	1.9
239.17767	2.0
241.19540	6.9
257.19012	4.1
259.20471	19.2
261.22211	3.4
298.73279	1.8
315.23126	2.2
325.25125	2.1
333.24194	9.8
335.25781	16.4
339.26846	2.0
341.25058	1.8
363.93640	1.5
519.42145	7.1
537.43054	5.1
593.45685	7.4
611.46582	100.0
612.47034	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01860	1.7
55.05503	20.0
57.03428	5.3
57.07064	2.4
58.25042	0.9
65.03932	2.9
67.05494	44.0
69.07056	13.6
69.65211	1.0
71.04976	2.8
71.09219	1.6
71.47704	1.0
73.04758	2.4
79.05479	33.9
81.07043	43.0
83.04972	1.5
83.08601	8.6
84.63148	0.9
85.06529	2.2
91.05451	27.1
93.07027	36.3
95.04965	4.3
95.08592	33.6
97.06529	2.2
97.10176	3.7
105.04523	2.0
105.07011	30.9
107.08575	20.8
107.09253	1.6
109.06481	1.4
109.10132	13.1
109.86609	0.9
115.05470	1.2
117.06992	14.3
119.08561	24.8
121.10126	12.8
123.08020	1.4
123.11739	3.0
129.07002	9.0
131.08549	21.0
132.68922	0.9
133.10109	20.0
135.11647	11.7
135.12469	1.0
137.09615	1.3
141.06941	2.7
142.07790	2.6
143.08559	12.2
143.23445	0.9
144.84923	1.1
145.10094	20.9
145.11188	1.4
147.11650	14.9
149.13228	5.7
155.08569	6.0
156.09271	1.6
157.10100	13.2
159.11668	16.3
159.12906	1.2
161.13234	10.1
163.14809	3.2
167.08556	2.4
169.10071	8.0
171.11644	11.7
173.13228	11.7
175.14783	4.8
177.16376	1.1
181.10129	3.2
183.11647	6.1
185.13214	8.5
187.14728	5.9
189.16293	1.8
195.11687	2.8
197.13263	5.8
199.14760	6.0
201.16411	3.8
203.76353	1.0
207.11801	1.2
208.97366	1.3
209.13297	1.8
211.14867	2.7
213.16408	4.3
215.17999	2.0
223.14708	2.3
225.16469	1.5
227.18048	1.5
229.19447	1.0
230.51814	1.0
231.17299	1.3
231.21202	1.5
239.17946	2.2
241.19556	8.5
257.18930	4.9
259.20514	15.6
261.22198	3.6
277.21643	1.3
299.06174	1.8
331.22736	1.3
333.24152	10.8
335.25772	15.7
337.27478	2.1
339.26929	1.5
351.25461	1.1
355.07071	1.2
356.07071	1.8
367.29877	1.1
383.29330	1.7
401.89297	1.1
402.70294	1.1
487.34158	1.2
489.35394	1.3
501.40756	1.2
519.41943	7.2
523.37640	1.5
537.43103	5.1
541.38672	2.1
593.45569	9.1
611.46594	100.0
612.46844	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	612.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79678	0.7
55.05510	1.3
56.05031	1.0
58.06596	3.2
59.05000	3.7
64.74921	0.8
67.05515	3.0
69.03411	0.8
71.05026	1.1
71.45789	0.8
72.08183	1.1
73.04763	1.0
75.04473	1.8
79.05508	1.4
81.03420	1.0
81.07063	2.2
82.06578	1.1
84.08187	0.9
90.08403	0.7
91.05479	3.0
91.05898	0.9
92.05775	0.9
92.69680	0.8
93.07056	2.0
94.06591	1.4
95.04993	3.5
97.06504	0.9
103.05497	1.9
105.03381	10.7
105.04532	1.0
105.07055	2.2
107.05010	1.0
107.08598	1.1
108.08161	3.5
109.02892	0.8
109.06558	0.8
110.06062	0.7
110.09701	1.7
112.07646	0.8
117.07069	1.2
119.08601	1.3
120.08102	1.5
121.06506	1.9
122.09686	1.1
124.07665	1.4
125.01545	1.2
125.08366	0.9
128.06233	0.9
129.07028	1.7
131.04985	3.2
131.08583	1.9
135.08125	1.7
135.10475	1.0
136.07549	1.6
137.06015	2.6
138.09190	3.2
140.10669	5.6
141.07028	1.0
145.06499	1.7
146.09669	0.9
147.08055	1.2
148.11269	3.7
151.03963	1.6
152.07188	0.8
152.10889	0.9
155.08589	1.3
158.09665	1.1
159.08171	1.3
160.11334	1.2
163.07651	1.0
166.08755	1.3
167.07251	1.6
167.08611	1.6
172.11230	1.5
173.05989	0.8
175.07635	0.8
178.07869	0.9
179.08621	2.2
181.05061	2.7
181.06589	1.0
182.11809	0.8
182.45648	0.9
184.11272	1.0
191.07104	2.3
192.09453	1.0
193.10179	1.4
203.08694	1.7
205.10225	1.2
207.06502	0.9
219.11665	0.9
221.09660	1.0
222.12946	1.5
236.14568	0.8
239.09381	0.9
248.14403	1.4
250.16159	1.6
267.13925	1.0
276.14014	1.0
278.15573	1.1
280.17114	1.8
282.15228	0.9
301.05801	1.0
306.18631	0.8
308.16516	1.3
310.18069	5.7
326.12238	0.9
338.17792	1.0
340.18860	4.4
342.20721	1.8
357.07031	1.0
366.16537	0.9
366.20782	1.1
367.18018	1.8
370.15576	1.3
370.20346	2.1
372.21713	3.7
396.21899	2.4
398.23529	1.0
399.15411	0.9
400.16119	1.2
414.22861	1.7
417.16412	1.2
426.22644	11.4
428.24460	1.1
430.26297	2.9
446.25583	3.3
458.25320	53.3
459.17279	4.2
459.26279	2.6
460.80930	0.9
464.26788	1.8
490.27954	37.0
491.28494	2.3
580.28864	14.5
581.29150	1.3
594.24225	1.5
612.31842	100.0
613.32538	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	612.3163
Annotation	Dihydroergocristine
Peak:m/z	Relative Intensity
54.82154	0.4
55.01871	0.4
56.05031	0.9
58.01010	0.4
58.06596	9.2
67.05506	1.0
69.28836	2.2
71.04996	1.2
72.08135	3.5
74.25205	0.5
75.04473	0.6
79.05504	1.7
80.04984	0.4
81.07067	1.1
84.08144	0.8
85.02914	0.6
91.05437	3.3
93.07047	0.9
94.06548	0.6
95.04964	1.2
96.08124	0.5
97.02911	0.6
98.09689	0.6
98.22720	0.8
101.06006	0.5
103.05447	9.0
103.06087	0.6
105.03373	2.1
105.07011	2.4
107.04976	0.8
107.08554	0.5
108.08109	3.8
109.06517	0.6
110.09667	0.7
115.05446	0.7
117.07038	1.9
119.04913	0.4
119.08583	1.0
121.06493	0.6
121.08914	0.5
122.09679	1.7
124.11269	1.3
128.06215	1.2
129.06976	2.1
131.04913	14.7
131.05888	0.8
131.08572	1.6
133.10164	0.8
134.09660	0.7
135.04404	0.7
136.07562	0.7
137.05989	0.4
138.09154	0.9
140.10753	0.5
141.07021	1.4
143.08556	0.8
144.08052	0.6
145.06506	0.5
145.10129	0.5
147.04395	1.2
147.08099	0.5
148.11249	0.5
149.06041	0.5
149.09666	0.5
152.10759	0.5
154.12241	2.4
155.08575	1.8
157.06601	0.5
158.09708	0.6
159.08093	0.5
160.11278	1.1
161.05977	0.8
162.12744	0.8
164.10706	0.6
165.07071	0.9
167.08598	1.4
169.10117	0.6
171.08064	0.5
175.03949	0.8
178.07884	0.9
179.08560	1.2
181.10162	1.4
182.11794	0.8
183.11784	0.7
185.09718	0.7
186.09093	0.5
186.12762	0.6
187.11278	0.4
191.08629	0.5
193.10147	1.6
195.11790	0.5
196.09077	0.5
197.09616	0.8
200.14417	0.5
204.09415	0.6
205.10161	0.9
207.06519	1.3
207.11812	0.9
209.09560	0.4
209.13608	0.5
217.10072	0.6
219.11688	1.2
220.17038	1.4
221.09737	0.7
221.13261	0.7
222.95062	0.4
231.11697	0.5
235.11218	0.6
237.12703	1.3
247.11186	0.9
249.12669	0.8
251.14261	0.6
258.14667	0.5
265.12283	0.6
294.18759	0.7
322.17987	1.0
336.19513	0.5
340.19077	0.7
354.20694	1.6
358.23688	0.6
368.22113	0.9
370.20276	0.6
372.21848	0.6
386.19360	1.0
386.23425	1.8
396.21576	4.0
404.24658	0.5
414.22723	10.3
414.27847	0.9
428.24295	1.5
430.25684	2.4
446.25327	21.2
447.25595	0.8
464.26413	14.7
490.27972	6.3
492.23639	0.5
552.25830	1.0
594.30548	1.9
612.31616	100.0
613.31946	6.4
640.91333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
56.66796	0.3
57.03430	0.8
58.06591	52.1
59.04972	0.3
61.02924	1.1
67.05470	0.5
69.03413	3.7
70.06596	0.5
71.04987	0.8
71.08611	0.6
72.08169	0.7
73.02914	0.9
73.04742	0.4
75.79597	0.3
79.05486	1.2
81.03419	1.0
84.08131	0.6
85.02894	4.3
87.04473	0.6
90.78285	0.3
91.03989	0.3
91.05488	1.2
93.07045	0.5
97.02879	2.4
98.09668	0.6
99.04446	0.6
101.62689	0.3
105.07050	1.0
107.04937	0.5
108.08145	0.4
109.02858	0.8
109.06499	0.3
113.07107	0.5
115.76431	0.3
117.07030	0.8
119.04929	0.5
122.09541	0.4
124.11216	0.4
127.03957	0.7
129.07007	0.8
131.08560	1.3
135.08011	0.6
141.07013	0.4
143.08559	1.3
147.04402	0.7
147.08035	0.6
155.08569	1.1
157.10161	0.6
159.07997	0.4
161.09676	0.7
164.10750	0.4
165.06960	0.4
166.07687	0.4
167.07123	0.3
167.08568	1.0
169.10153	0.8
177.05545	0.6
178.07765	0.5
179.08563	0.8
181.10153	0.6
191.08717	0.6
191.10727	0.3
192.09354	0.5
193.10045	0.5
195.11705	0.4
199.11186	0.4
203.08618	0.4
205.10127	0.4
207.06511	0.4
207.11678	0.6
209.09619	0.4
218.10898	0.4
219.11713	0.4
221.13290	0.7
225.12762	0.7
233.13260	0.8
235.14838	0.5
245.13242	0.4
251.14351	1.0
263.14249	0.5
265.15894	1.1
287.05429	2.0
288.05740	2.2
340.22714	0.6
357.06723	0.5
358.23819	0.6
372.25217	0.7
400.24826	0.7
432.27466	3.0
433.27872	0.4
450.28671	0.6
522.36053	0.4
612.33667	100.0
613.34015	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	612.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.1
58.06596	4.0
58.81560	0.3
59.04989	0.8
67.05497	0.9
70.06575	1.3
71.04985	1.6
72.08146	3.9
73.52601	0.3
75.04479	2.4
79.05476	1.2
81.07032	0.5
82.84022	0.3
84.08132	0.6
85.06537	0.5
87.04418	0.3
88.07616	0.4
91.05470	5.0
93.07019	0.6
94.06587	0.4
95.04980	0.7
97.06473	0.4
98.09651	0.8
102.09159	2.7
103.05469	1.1
103.24905	0.4
105.07011	2.2
107.04878	0.4
108.08107	3.0
109.06506	0.9
115.05448	1.1
117.07043	1.7
117.85099	0.3
121.06470	1.7
122.09676	1.0
123.08002	0.4
124.11221	1.0
128.06210	0.8
129.07005	1.7
131.08574	1.2
133.06476	0.9
134.09702	0.6
135.08006	2.1
138.09129	0.3
141.07004	1.1
143.08565	1.3
146.09665	0.4
147.08037	1.1
147.10349	0.3
147.97783	0.3
148.11192	0.6
150.09145	0.4
152.06203	0.4
152.10695	0.9
152.79955	0.3
154.07758	0.6
154.12239	1.0
155.08519	1.4
158.09616	1.5
159.08032	0.8
159.10403	0.5
160.11237	0.7
161.09557	0.5
163.07585	0.4
165.06985	1.2
165.09117	0.6
165.11465	0.5
167.08572	1.9
169.10100	0.5
171.08038	0.6
171.10460	0.4
172.08612	0.4
172.11235	1.3
173.09688	0.5
173.11845	0.4
174.09134	0.7
174.12723	0.6
177.09152	0.8
178.07791	0.7
178.12260	1.3
179.08507	1.7
181.10136	1.4
184.08708	0.3
184.11212	0.5
185.09633	0.8
186.12706	0.5
187.11311	0.4
188.10741	1.0
190.07782	0.6
191.08588	1.2
192.09358	0.9
193.10149	1.2
197.09697	0.6
198.12823	0.4
199.11154	0.4
201.12762	0.3
202.07759	0.7
203.08577	1.6
204.09349	1.2
205.10112	2.0
207.11667	1.0
209.09628	0.5
211.11165	0.9
215.08537	0.8
215.10414	0.4
216.09335	1.3
217.10121	1.2
218.10928	1.1
219.11714	1.0
221.09753	0.4
223.11232	0.5
228.09351	0.8
229.10030	0.5
230.10902	0.7
231.11699	0.9
233.13290	1.4
234.12703	0.4
235.11267	0.7
236.14290	0.4
237.12581	0.4
243.11737	0.5
246.12733	0.5
249.12727	0.8
249.15083	0.4
252.13872	0.3
260.14078	0.3
262.15863	0.5
263.14359	1.3
264.17526	0.4
273.14984	0.3
274.16049	0.4
276.17432	0.6
288.17438	0.4
291.98242	0.3
292.16882	0.8
294.18542	0.4
295.16705	0.5
306.18536	0.7
308.20236	0.5
310.18018	0.7
320.20084	1.1
324.19589	0.9
326.17319	0.6
330.20654	0.5
338.21091	1.2
342.20630	0.6
352.18948	0.5
352.22675	1.1
356.22379	0.8
366.20636	0.6
370.23944	0.4
380.22095	2.1
384.21591	0.7
398.23251	0.7
412.24756	9.6
413.24939	0.4
416.24225	5.4
416.29266	0.5
444.27377	36.7
445.27881	1.4
476.30008	32.5
477.30081	1.9
580.33014	0.8
612.35181	100.0
613.35486	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	612.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	18.1
55.05505	58.4
57.03435	22.7
57.07066	14.3
58.95226	7.6
59.04993	9.8
67.05497	75.2
69.07052	32.8
69.13285	55.7
71.04977	8.3
73.04753	14.7
78.18800	8.2
79.05480	76.0
81.03407	26.2
81.07050	88.9
83.01350	15.8
83.04958	39.8
83.08611	30.6
85.02903	10.3
85.10161	25.8
91.05381	61.2
93.07027	100.0
95.04961	49.6
95.08592	56.6
97.06493	13.6
97.10142	11.0
99.74048	7.8
104.10728	11.1
105.07024	49.9
107.04948	23.0
107.08598	39.7
109.06505	35.7
109.10139	28.8
113.09628	23.8
117.06992	25.5
119.08577	32.1
121.06493	12.6
121.10135	39.1
123.08069	17.1
129.06970	14.3
131.08624	12.0
133.10130	33.3
135.08018	11.9
135.11656	31.6
145.10115	33.9
147.04425	10.1
147.08064	12.0
147.11682	28.9
149.09587	11.6
155.08549	14.3
157.10110	9.3
159.11772	9.8
163.11165	37.7
165.12773	34.3
171.11736	10.9
181.12221	12.7
193.12238	12.4
233.15500	11.3
239.09557	17.1
268.97833	8.1
275.20026	20.1
277.21698	39.8
281.04791	8.7
283.15366	87.3
285.16980	19.4
295.22620	99.4
349.23593	10.2
351.25302	16.6
355.06766	9.1
356.07227	9.9
357.06934	17.7
369.26352	16.2
477.28345	54.0
479.40042	9.9
559.36121	46.0
577.37231	59.8
594.38153	11.9
612.39453	14.9
613.42017	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	612.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12642	2.4
55.01862	13.8
55.05504	38.5
57.03426	16.5
57.07059	4.4
59.04994	5.4
61.25433	2.6
62.57707	2.4
65.03931	4.4
67.05155	3.9
67.05497	63.9
69.07062	21.4
71.04984	9.2
71.08617	10.4
73.04738	4.9
79.05484	75.0
81.03401	18.2
81.07047	94.3
82.07413	6.3
83.01314	6.2
83.04960	23.9
83.08607	23.7
85.02892	6.1
85.06519	7.3
91.05442	52.3
92.05766	5.1
93.07038	66.6
95.04965	25.2
95.08593	37.6
97.06513	13.8
97.10159	8.9
99.04450	3.0
99.08070	7.8
102.09037	2.8
105.04523	3.7
105.07015	37.5
107.04943	10.4
107.08565	33.2
109.06496	26.9
109.10173	14.6
110.06884	3.6
111.08054	7.9
117.07007	18.1
119.08562	27.7
121.06499	5.7
121.10149	18.5
123.08049	9.6
123.11644	2.5
125.06033	4.2
125.09635	11.4
129.06985	11.3
131.08531	16.4
133.10098	20.0
135.08066	7.3
135.11652	22.8
143.08568	5.3
145.10104	23.6
147.11678	10.9
149.09592	5.6
149.13211	9.5
151.11180	13.3
153.12753	3.0
155.08441	3.7
157.10091	4.9
159.11676	11.0
161.09659	3.7
161.13274	3.8
163.11148	29.1
165.12837	2.4
169.10107	3.9
171.11642	5.0
173.09595	5.2
175.11220	3.5
179.14308	3.0
181.12132	5.5
185.13339	4.0
189.11192	3.9
193.12299	6.5
195.13736	4.7
197.13295	3.2
209.11707	7.3
211.13248	7.4
227.12755	13.3
233.15381	2.9
251.29396	3.1
257.18930	3.0
259.20273	3.0
267.15634	3.3
269.17535	6.2
275.20166	3.8
277.21561	16.6
281.77750	2.8
283.15399	44.4
285.16949	6.1
293.20993	19.9
351.25275	18.4
357.06665	3.7
367.24655	4.1
437.25348	8.3
461.28934	3.3
477.28418	100.0
478.28690	4.7
559.35736	9.0
577.37122	6.3
588.73053	3.0
594.38788	4.1
612.35504	19.8
613.26288	12.6
613.42053	3.7
642.72437	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	612.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01869	19.3
55.05252	2.8
55.05502	33.3
56.58861	1.8
57.03423	15.1
57.07067	4.1
59.04995	4.3
67.05499	36.2
69.03428	3.4
69.07063	14.7
71.01292	2.3
71.04972	6.4
71.08619	12.1
73.04751	5.4
77.03939	1.8
79.05483	31.2
81.03415	11.5
81.07043	49.7
83.01340	8.6
83.04958	16.0
83.08612	21.3
85.02911	3.8
85.06528	3.1
85.10191	6.0
89.06020	2.3
91.05402	26.8
92.23631	2.0
93.07027	40.3
95.04948	16.0
95.08588	23.9
97.06535	10.9
97.10131	3.9
99.04436	2.1
99.08088	8.6
102.09171	2.3
105.07009	20.3
107.04943	9.0
107.08574	20.9
109.06510	12.9
109.10149	10.8
111.04430	4.9
111.08064	17.9
113.09628	4.8
117.07005	8.6
119.08589	21.3
121.06466	2.9
121.10156	16.9
123.08031	9.9
123.11694	5.5
129.06999	6.5
130.62354	1.9
131.08545	7.2
133.10100	14.5
135.08031	3.4
135.11699	14.4
137.09589	4.6
139.11139	3.8
143.08542	3.8
145.10104	21.1
147.07974	2.1
147.11635	12.3
149.09644	3.5
149.13235	4.0
151.11165	7.1
153.12729	2.8
157.10078	3.3
161.13246	2.3
163.11177	25.9
165.12759	7.1
167.05550	3.4
167.10722	2.3
171.11642	2.4
173.09648	3.3
174.36885	1.9
179.14221	3.3
181.12239	4.8
185.13245	3.6
191.10738	2.7
193.12164	2.7
209.11737	9.5
227.12772	8.8
241.19455	2.2
256.26303	2.3
259.20541	3.8
277.21582	42.4
283.15344	100.0
285.01025	2.6
293.21210	4.2
295.22534	10.8
333.20367	3.1
351.25259	22.0
355.06601	2.8
356.07010	3.4
357.06927	5.2
369.26303	28.2
447.13663	2.0
547.07361	2.2
559.36224	30.8
560.36139	2.5
577.37238	32.7
578.37018	3.2
612.38831	2.9
613.37000	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	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01868	14.9
55.05505	64.6
57.03426	14.5
64.69881	5.7
65.03915	5.8
67.05496	64.3
69.03416	12.6
69.07055	31.5
71.04987	14.0
71.44936	7.0
73.04758	10.2
79.05475	62.8
81.03407	65.6
81.07046	74.2
83.04970	24.2
83.08605	44.9
85.02914	31.4
91.05398	69.3
92.05782	9.6
93.07021	55.8
95.04956	100.0
95.08581	42.4
97.02913	6.7
97.06552	13.9
97.10159	12.5
105.07009	60.0
107.04949	23.8
107.08567	37.2
109.06501	23.9
109.10134	17.8
111.04439	14.4
111.08070	15.5
115.05424	6.9
117.07000	20.2
119.08565	52.6
121.10157	22.3
125.09628	18.0
129.06915	14.1
131.08566	31.9
133.06473	9.3
133.10130	30.2
135.08075	17.6
135.11690	9.6
137.09595	6.3
145.10115	31.2
147.08043	8.4
147.11678	20.3
149.09592	44.1
157.10094	11.7
159.11710	18.5
163.11194	28.5
167.05518	9.7
172.13719	6.0
175.11124	16.0
189.11214	11.8
193.12215	48.9
211.13269	53.5
223.13254	41.6
257.18982	9.4
267.15860	18.6
275.20059	64.8
285.16980	57.3
293.21109	28.3
301.05908	7.3
334.64041	6.8
346.56363	6.6
349.23611	21.0
355.06830	12.4
356.07074	8.8
357.06693	21.4
367.24683	35.7
503.36752	6.6
541.35229	8.2
559.36102	22.0
577.37378	35.0
612.31219	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	612.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.5
55.01872	8.2
55.05503	30.1
56.96581	3.7
57.03429	16.5
63.91568	2.2
65.03952	2.5
67.05497	51.6
69.03435	6.2
69.07054	21.0
71.04986	6.6
71.44783	2.2
79.05489	50.2
79.05942	3.0
81.03410	48.7
81.07047	100.0
81.73105	1.8
82.07420	2.3
83.04973	17.5
83.08619	28.3
85.02906	17.6
85.06567	4.0
85.58884	2.3
91.05440	53.8
93.07035	39.9
95.04958	34.8
95.08596	24.9
97.06538	9.9
97.10190	9.2
98.97607	7.9
99.08061	2.1
99.92415	1.9
105.04576	2.2
105.07022	49.3
107.04958	12.6
107.08575	22.6
109.06518	26.8
109.10130	11.6
111.04446	3.1
111.08064	13.6
112.63203	2.1
113.05986	2.8
116.98640	4.1
117.07033	11.6
119.08570	34.0
121.06535	8.0
121.10129	20.6
123.08054	10.2
123.11721	6.0
125.09605	5.0
128.06226	2.4
129.06998	10.7
131.00185	5.2
131.08585	19.9
133.06514	4.5
133.10109	27.0
135.08060	9.3
135.11720	8.7
137.09651	3.9
139.11230	2.0
143.08551	4.5
145.06502	2.7
145.10103	15.1
147.08051	4.7
147.11652	26.8
149.01250	4.3
149.09634	11.9
149.13254	4.4
151.11249	3.5
155.08586	2.3
157.10059	12.5
158.99677	2.6
159.11707	8.4
161.09650	3.7
161.13327	3.9
163.11177	10.1
165.12695	9.6
169.10141	3.1
171.11699	3.2
173.13216	5.2
175.11243	12.4
177.00681	5.3
183.11763	2.8
185.13380	3.5
187.11304	2.2
187.14885	2.3
193.12195	43.2
193.79559	2.1
209.11617	2.5
211.13263	53.4
215.14302	2.3
227.12790	2.5
239.17967	3.2
247.20670	2.8
253.14336	3.2
257.18958	5.5
267.15915	20.1
271.15295	3.4
275.20078	49.9
281.70306	2.4
285.16937	70.1
291.19376	2.5
293.02557	2.1
293.05228	10.2
293.21158	10.7
317.17728	9.9
335.18900	5.1
349.23685	21.7
355.07358	2.5
357.06610	2.7
367.24768	23.2
428.70520	2.5
498.61322	2.4
541.35022	8.6
553.26837	4.4
559.36420	23.6
577.37512	19.1
595.39783	2.9
612.33813	2.9
613.32953	8.5
613.42163	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	612.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	32.7
57.03433	21.6
57.07069	15.3
65.03947	12.3
66.66208	10.6
67.05505	95.1
69.07057	26.5
69.78693	45.0
73.04784	13.2
77.16441	11.4
79.05470	55.8
81.03403	100.0
81.07056	93.3
83.08630	15.7
88.50526	11.0
91.05488	42.8
93.07026	59.1
95.04962	31.4
95.08620	55.5
105.07035	33.8
107.08582	47.1
109.10149	16.3
109.17046	11.3
116.43312	11.2
117.06939	12.1
119.08583	35.0
121.10101	31.9
129.06989	11.9
131.08533	38.4
133.10136	13.8
145.10001	16.4
147.11678	17.8
157.10129	15.8
243.20915	12.3
261.22287	12.1
267.15933	88.3
288.36713	12.0
308.79495	10.8
335.25827	70.0
486.65112	12.8
527.37195	31.5
545.38190	18.7
564.94543	13.3
612.46600	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05497	5.5
56.96279	2.4
56.96558	39.8
57.07061	1.1
58.06592	1.4
63.25747	1.1
65.03928	1.1
67.05498	7.9
69.03436	2.0
69.07065	2.7
70.06586	1.9
71.95260	1.1
74.97598	1.0
78.06591	1.1
79.05476	7.9
81.03416	3.8
81.07045	12.2
82.07368	1.7
83.08620	4.6
84.96022	3.7
85.02888	1.4
91.05421	6.4
93.07028	7.8
95.04929	5.9
95.08613	4.1
97.06516	1.1
97.96815	1.6
98.97565	75.4
102.97112	1.2
105.03342	1.1
105.07005	7.7
107.04949	2.4
107.08604	4.0
109.06496	2.6
109.10178	1.4
110.90782	1.2
110.97567	4.9
111.08112	1.8
112.99105	22.7
113.05941	1.2
116.98598	44.6
117.07002	2.0
119.08546	5.5
121.06479	1.3
121.10146	4.7
123.08057	1.8
124.99132	2.3
128.98579	8.5
129.06955	1.5
131.00148	43.2
131.08574	3.9
133.10155	3.5
134.99641	13.6
135.08029	1.7
135.11719	1.8
140.00188	2.2
140.98596	2.7
143.00159	7.9
143.08569	3.0
145.10106	3.8
146.99615	6.2
147.11708	3.1
149.01199	40.3
149.02174	1.7
149.05965	2.3
149.09605	3.1
149.13228	1.6
154.01741	2.5
155.08514	1.4
157.10077	2.6
158.01237	1.8
158.99626	34.6
159.11646	2.8
161.01184	11.8
162.99084	1.5
163.11177	2.4
167.02238	6.0
170.99655	3.7
171.03242	1.3
171.11714	1.7
172.02777	2.9
173.01199	7.3
173.13304	1.5
175.02785	1.4
177.00690	44.1
179.02275	2.7
185.01231	4.5
189.00728	4.9
189.59584	1.1
191.02190	7.2
193.05035	1.9
193.12276	2.3
195.01830	3.7
199.02783	10.9
200.02292	3.6
201.00623	1.5
203.02188	5.8
205.09985	1.2
209.01215	2.5
211.13202	2.5
215.02272	3.2
217.03873	4.6
219.01749	9.1
227.02278	3.5
229.15892	1.9
233.03323	2.6
237.02863	6.3
240.05408	1.2
247.16963	1.4
275.04318	17.1
275.19998	5.4
276.20248	1.1
285.17068	1.5
293.05383	54.6
311.06320	12.6
316.07050	5.2
317.17822	100.0
318.18185	2.9
334.07971	1.5
335.18863	38.0
341.10147	3.1
349.23666	1.8
358.20502	6.6
359.18887	2.0
373.20502	1.5
377.19855	8.1
391.21561	3.4
497.24048	3.2
553.26776	48.1
554.27405	2.2
578.37097	2.1
595.39435	2.9
613.40942	4.4
614.35950	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	613.4816
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03951	1.2
55.05511	11.0
57.03435	3.2
57.07067	2.2
63.78629	1.1
67.05502	28.7
69.07061	11.4
69.60323	2.5
69.60699	4.2
72.36109	1.2
79.05483	19.0
81.07049	33.9
83.04994	1.3
83.08617	8.1
85.06570	1.8
86.90025	1.3
90.98009	1.1
91.05479	11.6
93.07037	20.9
95.04969	2.2
95.08598	31.2
97.03900	1.2
97.06551	1.6
97.10182	4.0
105.07020	14.2
107.08580	18.3
109.10145	18.4
117.07014	4.0
119.08563	13.9
121.10129	15.3
123.11678	6.9
125.09675	2.2
129.07013	2.9
131.08571	9.8
133.10121	14.2
135.11664	12.7
137.09630	1.2
137.13277	4.6
143.08549	3.1
145.10071	11.6
147.11639	10.7
149.13199	6.7
157.10114	3.6
158.95097	1.2
159.11664	9.2
161.13229	8.9
163.14819	3.4
171.11667	4.8
173.13237	9.1
175.14845	5.7
177.16434	1.3
183.11766	1.5
185.13257	3.0
187.04973	1.2
187.14796	6.5
189.16367	2.5
197.13034	1.2
199.14848	2.1
201.16431	3.4
203.18054	1.5
213.16402	2.3
215.18002	3.0
217.19443	1.7
229.19630	2.0
232.23773	1.3
241.19547	4.7
243.21115	3.8
259.20587	9.3
261.22122	15.5
263.23749	1.6
287.23746	2.4
301.24881	1.6
313.25250	1.8
315.26837	1.6
317.24860	1.8
319.26126	1.3
333.24292	5.8
335.25760	18.5
337.27298	10.1
503.43253	1.8
521.43323	5.1
539.44476	3.9
543.40424	1.6
595.47223	11.8
613.48157	100.0
614.48749	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	614.2374
Annotation	(-)-Neoacrimarine-E
Peak:m/z	Relative Intensity
50.01576	0.9
51.02361	2.0
53.03939	3.3
55.17427	0.4
58.06585	1.7
59.02663	0.3
63.58527	0.4
67.05492	0.8
69.90788	0.4
71.05000	0.4
75.04468	1.2
75.79725	0.4
77.03905	3.0
79.05477	1.6
81.03406	0.6
81.07046	1.1
84.08147	0.5
85.02880	0.5
91.05453	1.2
93.07031	0.5
94.06557	0.6
95.04955	15.5
95.08630	0.5
97.50318	0.4
101.06000	0.6
103.05445	0.8
105.03377	92.8
105.04397	6.4
105.07024	1.8
106.03716	1.5
108.08106	0.9
109.06517	0.9
111.08100	1.9
115.05407	0.4
117.06984	0.7
118.97611	0.4
119.04958	0.6
120.08088	0.6
120.49918	0.4
121.06456	1.0
129.06976	1.0
131.08456	0.6
141.06979	0.9
141.08990	0.5
143.08531	0.7
144.08078	1.0
146.09662	1.2
147.04477	0.4
148.11160	0.7
155.08580	1.0
157.08844	21.8
158.09439	0.5
160.07570	0.8
165.06987	0.6
167.07074	0.8
167.08537	0.9
172.07571	1.9
173.08357	2.6
174.09114	7.6
175.09821	0.6
178.07686	0.8
179.08563	1.1
181.10150	0.4
183.08002	0.5
190.08669	0.4
191.08534	0.8
192.09373	1.0
193.10101	1.1
195.11804	0.5
198.07065	0.4
202.07716	0.8
203.08565	0.4
204.09363	0.9
205.10164	0.9
207.11697	1.4
208.08580	0.4
210.12566	0.4
214.08632	1.2
219.11664	1.3
226.12401	0.5
233.09438	0.4
235.11179	1.0
236.10796	0.5
245.11964	0.4
247.11256	0.4
260.14282	1.1
262.12170	0.7
276.13889	1.0
278.12381	0.4
278.15250	1.9
288.13760	1.6
296.10162	0.6
296.16483	0.7
304.13300	0.6
306.14844	2.4
316.13034	0.4
324.15894	1.4
334.14471	1.2
342.16965	1.3
352.15128	0.5
370.16473	2.8
400.24747	1.8
446.19604	0.9
460.26923	0.6
464.20557	1.3
474.18945	1.8
492.20078	11.1
492.29004	3.5
554.27502	0.9
596.22681	7.0
613.31879	0.5
614.23572	100.0
614.32434	10.9
615.23981	6.5
615.33563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20867	1.3
57.73150	1.2
65.03932	4.9
67.05498	1.9
69.03417	1.7
69.32656	5.2
69.72265	1.4
69.75590	1.4
70.06586	3.3
75.49028	1.2
78.22055	1.4
79.05471	10.3
81.03422	3.4
81.07040	1.9
85.02908	6.2
91.05444	2.8
95.04963	1.8
97.06490	1.4
105.06985	2.4
107.04938	35.1
110.03658	2.8
111.04443	1.7
112.07595	3.0
115.05459	2.9
117.07007	3.5
121.06525	1.8
123.04411	2.0
124.05213	3.6
125.05997	4.2
128.06110	1.3
129.06969	2.1
131.04935	2.0
133.06441	2.3
138.03119	1.6
140.07086	2.7
144.05659	1.9
145.05481	1.3
145.06459	9.1
149.06013	2.0
152.04697	1.8
153.05458	5.2
155.06030	2.3
157.06482	1.7
159.08083	1.8
161.05986	5.4
167.07016	100.0
169.12167	1.4
170.14107	1.4
171.06511	4.6
172.05130	2.7
173.05969	7.8
175.07550	1.6
176.08253	1.5
177.05437	2.3
181.04919	76.8
185.05881	1.6
187.07547	6.2
189.05473	5.0
190.06190	1.5
191.10652	2.9
195.06497	3.3
200.04530	2.0
201.05481	5.9
203.06898	2.0
205.08559	6.0
206.05750	3.0
218.05725	5.5
219.06483	2.6
219.10204	5.0
221.08038	7.3
231.06393	2.1
233.08055	36.6
235.09615	30.7
245.08121	2.6
251.09108	16.6
263.09122	11.3
279.10123	1.8
281.10172	4.4
287.05466	4.4
295.09625	2.0
305.94272	1.8
307.09866	2.1
324.09818	1.4
331.07870	2.1
355.11517	1.8
367.11829	2.6
381.13580	1.9
384.12064	1.6
387.14267	9.3
399.14398	9.3
417.15375	81.0
418.15518	3.3
435.16504	7.1
571.00439	1.5
596.09979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20867	1.3
57.73150	1.2
65.03932	4.9
67.05498	1.9
69.03417	1.7
69.32656	5.2
69.72265	1.4
69.75590	1.4
70.06586	3.3
75.49028	1.2
78.22055	1.4
79.05471	10.3
81.03422	3.4
81.07040	1.9
85.02908	6.2
91.05444	2.8
95.04963	1.8
97.06490	1.4
105.06985	2.4
107.04938	35.1
110.03658	2.8
111.04443	1.7
112.07595	3.0
115.05459	2.9
117.07007	3.5
121.06525	1.8
123.04411	2.0
124.05213	3.6
125.05997	4.2
128.06110	1.3
129.06969	2.1
131.04935	2.0
133.06441	2.3
138.03119	1.6
140.07086	2.7
144.05659	1.9
145.05481	1.3
145.06459	9.1
149.06013	2.0
152.04697	1.8
153.05458	5.2
155.06030	2.3
157.06482	1.7
159.08083	1.8
161.05986	5.4
167.07016	100.0
169.12167	1.4
170.14107	1.4
171.06511	4.6
172.05130	2.7
173.05969	7.8
175.07550	1.6
176.08253	1.5
177.05437	2.3
181.04919	76.8
185.05881	1.6
187.07547	6.2
189.05473	5.0
190.06190	1.5
191.10652	2.9
195.06497	3.3
200.04530	2.0
201.05481	5.9
203.06898	2.0
205.08559	6.0
206.05750	3.0
218.05725	5.5
219.06483	2.6
219.10204	5.0
221.08038	7.3
231.06393	2.1
233.08055	36.6
235.09615	30.7
245.08121	2.6
251.09108	16.6
263.09122	11.3
279.10123	1.8
281.10172	4.4
287.05466	4.4
295.09625	2.0
305.94272	1.8
307.09866	2.1
324.09818	1.4
331.07870	2.1
355.11517	1.8
367.11829	2.6
381.13580	1.9
384.12064	1.6
387.14267	9.3
399.14398	9.3
417.15375	81.0
418.15518	3.3
435.16504	7.1
571.00439	1.5
596.09979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.5
53.03934	1.5
55.01860	3.1
55.05505	5.3
57.03426	4.9
57.06811	0.7
57.07070	8.7
58.06584	2.7
61.02924	0.8
67.05491	10.3
68.06282	1.1
69.03410	1.6
69.07054	3.5
71.04974	1.5
72.04501	0.7
72.08138	1.1
73.02897	1.5
74.06078	0.8
75.04470	1.2
76.63123	0.5
79.05476	8.7
80.81160	0.6
81.03407	1.7
81.07047	8.9
82.06538	0.8
83.04956	3.4
83.08601	2.2
85.02852	1.2
85.06532	1.5
86.06049	1.5
91.05463	8.7
93.07034	6.1
94.04163	0.6
94.06554	0.6
95.04958	6.3
95.08623	3.6
96.05742	2.0
97.02873	1.1
97.06518	2.0
97.10156	3.3
98.06056	0.7
103.05428	0.8
105.03384	3.6
105.04530	0.7
105.07008	6.7
107.04927	3.8
107.08578	3.2
108.08105	1.2
109.06503	5.0
109.10146	4.2
111.08076	2.3
115.05419	0.6
115.31687	0.6
116.04673	3.2
117.07005	4.2
119.08535	4.9
121.06506	2.1
121.10149	2.3
123.04453	1.2
123.08047	2.6
125.09606	4.0
128.06268	1.2
129.05472	8.7
129.06999	1.9
131.08548	3.6
132.08066	0.9
133.06480	2.2
133.10100	2.9
135.08008	3.3
135.11732	0.9
137.05965	0.6
137.09607	2.0
138.10381	1.7
141.06979	1.3
141.79575	0.6
143.07040	2.0
143.08549	2.6
144.08028	0.6
144.09216	0.6
145.06499	1.0
145.10109	1.9
146.09575	0.8
147.04274	0.5
147.08046	2.5
147.10576	0.7
147.11658	1.1
149.09624	3.6
152.10693	0.7
153.06982	1.2
155.08554	1.5
157.08621	5.3
157.10133	1.6
158.09645	1.6
158.24214	0.7
159.08093	0.7
159.11685	1.2
160.11201	1.2
161.09599	2.3
163.11166	1.5
165.07005	0.9
167.08585	1.2
167.10666	0.9
169.10115	1.2
171.10190	2.2
171.11661	1.3
172.64027	0.7
173.09601	1.4
173.11725	1.7
175.11151	0.9
178.07739	1.5
179.08533	2.0
180.09296	0.7
180.33424	0.6
181.10086	2.0
183.10265	0.8
185.09546	0.8
187.11145	0.8
191.08641	0.7
191.10606	0.7
192.09189	0.7
193.10141	2.6
195.11815	0.9
197.07300	0.6
197.09578	0.7
200.14113	1.0
203.08505	1.2
204.09441	1.1
205.10149	1.1
207.11598	1.6
215.08704	0.8
216.09436	0.7
217.10126	1.3
218.11003	0.6
219.11697	1.4
221.13309	1.3
229.10086	1.2
229.14297	1.5
230.10884	0.9
231.11694	1.2
232.11388	0.7
234.12648	1.0
235.11292	0.7
235.14850	0.9
237.12724	0.9
245.13258	0.8
249.12457	0.9
251.14368	0.8
260.14432	0.8
263.14218	1.3
273.18463	4.3
274.15704	0.9
276.17459	7.7
281.16928	0.6
289.18106	0.9
291.19318	1.1
292.17102	0.6
294.18558	2.7
304.16959	1.8
306.44574	0.7
309.16022	1.2
322.18002	2.9
336.19513	0.8
340.19028	1.3
347.22275	1.1
354.20853	1.0
364.18649	1.1
365.23007	4.0
382.19965	3.9
383.19778	4.9
399.19028	0.9
417.20309	48.7
418.20734	2.5
438.26749	1.1
442.25916	2.0
460.26563	3.4
466.25970	0.7
477.29865	0.7
492.29440	8.4
498.28467	3.4
526.27869	13.5
554.31311	1.5
614.33124	100.0
615.33527	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	614.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03934	1.1
55.01854	0.7
56.05016	1.2
58.06584	3.0
62.21087	0.4
67.05493	0.5
71.04991	3.1
72.04469	0.4
74.06069	1.3
75.04145	0.4
75.04475	4.9
77.03918	1.6
79.05465	1.5
81.07014	0.8
84.08133	2.8
85.02888	0.8
85.06532	0.9
88.07629	2.4
91.05465	2.1
93.07014	0.5
94.06543	2.0
95.04955	7.8
96.08112	0.8
97.06500	0.5
100.07577	0.9
101.05996	1.0
105.03378	45.3
105.04391	2.8
105.07014	0.7
107.07265	0.6
108.08145	2.4
109.06503	0.6
110.05987	0.7
110.09676	0.7
111.08025	1.0
112.52013	0.4
114.09155	1.5
115.05424	0.7
117.06998	0.6
119.04959	0.5
120.08067	0.9
121.06484	1.0
121.08797	0.7
122.09654	0.9
124.07586	0.8
127.07572	0.5
128.06187	1.0
129.06982	1.3
131.04874	1.1
131.08566	0.8
133.06494	0.5
133.08824	0.8
134.09616	4.2
135.08006	0.7
137.05946	1.7
138.09113	1.7
140.10678	1.4
141.06909	0.8
141.09077	0.6
143.08566	0.7
144.08086	0.8
145.08855	0.5
146.09631	0.9
147.08012	0.5
148.07584	0.6
150.09038	0.5
152.10686	1.5
153.06955	0.8
154.12216	0.5
155.08548	1.5
157.08809	1.2
158.09651	1.2
159.08002	1.1
160.11166	0.8
164.10638	3.5
165.06946	1.3
165.09068	0.5
167.08554	1.3
169.06406	0.7
170.09599	0.6
170.11710	1.3
171.08055	0.7
172.11185	1.8
173.09578	0.5
174.09048	0.8
176.10574	0.7
178.07755	1.0
179.08492	1.6
181.06348	0.5
182.09645	0.6
184.11176	1.3
186.12556	0.6
190.12230	0.6
191.08502	1.0
193.10127	0.8
195.07954	0.8
196.11148	0.7
198.12729	0.7
200.10716	0.8
202.07712	0.8
202.12292	1.0
203.08504	1.1
204.09138	0.7
204.13754	2.0
205.10112	1.2
209.09586	0.7
210.12697	0.6
210.68983	0.4
214.89755	0.5
215.08585	0.8
216.09351	0.5
217.10094	1.2
220.11119	0.5
222.14882	0.6
229.10143	0.4
232.08789	0.5
233.09570	0.7
234.12659	0.6
236.14288	0.7
236.16377	3.4
245.09581	0.6
248.10817	0.8
248.14246	0.8
249.12706	0.8
262.12216	0.9
264.13675	0.8
268.13217	0.5
276.13712	0.5
280.13379	0.7
280.16757	0.6
282.11206	0.5
286.14401	0.5
292.13495	0.6
296.16388	1.2
308.16373	0.6
312.15939	0.7
312.19409	0.7
340.18921	2.9
344.22192	3.7
368.22134	0.6
370.20026	0.5
372.21634	25.6
373.21945	0.9
386.19119	0.6
388.14587	0.7
466.27255	0.6
490.21555	1.0
494.25296	26.8
495.25342	1.4
522.24780	3.5
554.27380	39.3
555.27460	2.3
582.26959	1.6
614.29517	100.0
615.29639	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.7
53.03928	1.4
55.05505	0.6
58.06572	1.6
61.32298	0.6
64.09077	0.5
75.04474	1.0
77.03912	1.1
79.05485	0.7
81.07024	0.8
85.02872	1.0
91.05471	1.0
95.04952	7.1
105.03375	40.8
105.04398	2.8
105.07075	0.7
108.08103	0.8
117.06989	0.9
120.08088	3.6
122.09653	1.3
128.06244	0.6
129.06975	0.9
131.08574	0.9
132.08052	0.8
135.10420	1.3
137.05911	0.8
140.10683	1.4
141.06927	1.0
147.10439	3.9
148.11185	44.6
149.11955	2.3
155.08432	0.7
158.09621	0.7
159.10469	0.9
160.11133	0.7
163.07497	1.1
167.06966	1.8
167.08426	0.9
171.10384	0.9
172.11163	6.5
173.12009	1.0
176.10860	0.9
178.07719	0.7
179.08537	1.2
181.05026	0.7
181.08736	0.6
181.10188	0.8
182.09654	1.6
184.11226	2.6
191.06908	0.6
196.11215	1.2
197.11945	0.7
198.12775	1.0
200.10628	1.2
202.12280	0.9
204.13927	0.8
209.11946	1.0
210.12791	1.0
212.10693	1.8
222.12688	0.8
224.10681	1.2
224.14317	1.7
225.11266	0.6
226.12234	1.5
228.13843	0.6
234.12811	1.3
236.10651	1.3
237.11482	0.6
238.12218	1.4
240.13748	1.1
242.11742	0.7
250.12270	1.4
251.12988	0.8
252.13741	5.6
256.13171	1.0
256.16855	0.7
262.12234	1.8
266.15457	0.7
268.13373	1.1
280.13281	4.2
282.14899	1.2
284.16553	1.3
286.14468	0.7
290.15494	0.6
290.31619	0.6
294.14761	2.7
296.12582	0.8
312.15930	4.0
326.17569	0.9
328.15543	0.9
340.19138	1.8
344.18356	1.7
344.22235	1.9
372.21646	7.2
374.17798	1.0
380.41458	0.6
402.16989	3.1
406.20343	0.9
416.18506	1.5
430.25595	2.4
434.19550	26.4
435.20050	1.3
448.26776	0.9
462.22589	2.2
466.22137	32.3
467.22406	1.3
490.22235	1.1
494.25793	5.9
498.67953	0.6
516.54156	0.8
522.24854	3.6
554.27393	36.3
555.27515	2.2
582.26727	2.1
603.97864	0.6
614.29456	100.0
615.29865	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	614.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.8
51.02365	1.5
53.03930	2.5
55.05488	1.3
58.06586	1.1
59.27057	0.7
60.04493	0.6
65.03919	1.2
67.05500	1.5
69.03419	1.0
70.06580	1.0
71.04965	2.0
75.04469	22.2
77.03920	2.1
79.05036	1.3
79.05484	21.9
79.05941	1.2
81.03405	1.6
81.07048	23.7
82.06565	0.7
85.02892	2.5
85.06522	1.5
87.04452	1.7
88.07623	1.6
91.05473	2.5
94.04182	1.3
94.06566	4.5
95.04336	0.8
95.04958	13.7
95.08595	1.3
96.05710	1.4
98.23532	1.6
101.06007	34.2
103.05402	0.7
105.03381	58.4
105.04409	5.4
105.07008	1.2
108.08123	2.0
109.06506	13.5
111.08065	96.3
112.08400	1.9
115.07607	1.0
117.07014	0.8
119.04888	0.7
120.08094	2.3
121.06522	1.8
121.08898	0.8
123.08080	0.9
124.07558	1.0
129.07008	2.0
131.07294	0.7
131.08594	1.0
132.08083	1.8
133.02832	2.0
134.09679	1.2
135.07941	0.9
137.05952	0.9
138.09090	3.7
140.39946	0.7
141.09077	19.6
144.08058	1.1
146.09662	1.1
147.08049	0.8
147.11621	0.9
150.09119	1.5
153.06866	0.7
158.09666	2.3
159.08044	0.9
160.07561	1.2
161.09601	1.1
162.09184	0.8
163.62611	0.8
164.10645	3.7
167.08517	1.6
168.10223	0.9
170.09619	1.0
171.10376	1.0
172.11246	1.2
176.10811	1.0
178.07758	0.7
179.08519	1.2
188.10692	1.2
190.12254	3.8
191.08575	0.9
193.10086	1.1
196.11234	1.2
203.08574	1.0
204.13849	1.1
207.08054	1.1
209.09712	0.9
214.12077	1.0
225.11229	0.8
233.09561	1.9
235.11348	1.0
236.16681	0.8
237.08919	1.0
238.12244	1.2
242.11871	1.1
244.62665	0.7
248.10686	0.8
250.12189	1.0
261.09012	1.7
262.12317	1.1
264.16003	2.8
267.19553	1.9
287.05511	2.1
340.19110	1.2
378.19122	1.5
384.74078	0.8
400.21304	2.1
432.24045	1.3
452.20660	2.6
460.23166	1.3
465.05261	0.8
478.22235	1.2
490.22485	2.0
492.25638	1.5
522.24915	5.2
554.27405	12.8
555.27881	1.6
582.26831	8.4
614.29498	100.0
615.29779	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	614.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03920	3.0
55.05500	1.1
57.03417	0.9
58.06578	1.5
66.04729	0.8
67.05499	1.0
68.02670	0.7
69.03420	1.1
71.04970	3.3
75.04469	22.6
77.03907	1.1
79.05479	21.0
81.03409	1.4
81.07045	23.5
83.61436	0.6
85.02895	1.2
85.06517	2.4
87.04451	1.6
88.07571	1.1
89.06025	1.0
91.05471	2.0
93.07036	0.7
94.04165	2.3
94.06526	3.8
95.04954	11.3
95.08562	1.0
96.05717	0.8
101.06003	34.2
103.05411	0.8
105.03377	48.1
105.04410	4.9
107.04976	0.8
107.07290	1.0
108.08077	1.4
109.06497	12.7
111.08062	95.9
112.08379	1.7
117.07024	1.5
120.08112	2.0
121.06495	1.4
124.07544	0.8
125.05973	0.7
128.06158	0.7
129.06998	1.6
131.08575	0.8
133.02841	1.0
133.08784	0.9
134.09584	1.0
137.05908	1.7
138.09123	2.8
141.07018	0.8
141.09088	21.7
144.08025	1.0
145.06407	1.0
145.08728	0.7
146.09650	1.8
147.04462	0.7
147.07954	0.7
150.09161	1.4
152.10553	0.7
158.09662	2.4
159.08067	0.9
160.11157	0.8
162.09180	1.1
164.10654	4.1
165.05518	1.4
165.07001	0.9
168.10184	1.5
170.09622	1.6
171.10353	1.2
172.11177	1.7
174.09154	1.0
176.10727	1.3
178.07784	0.8
179.08600	1.0
182.09697	1.2
190.12247	4.2
191.08560	1.1
195.08040	1.0
196.11206	1.0
204.13896	1.3
205.10150	1.0
214.12209	1.1
219.08145	0.8
221.09663	0.9
264.15952	2.0
267.19641	2.6
298.72546	0.7
339.04694	0.7
368.18680	0.8
400.21133	2.5
432.23669	2.2
452.20508	2.6
460.23215	1.7
478.22321	1.1
490.23181	1.0
492.25391	1.2
522.25055	6.7
554.27466	18.7
582.26788	10.1
583.27441	0.9
614.29474	100.0
615.30322	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	614.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
52.15929	0.8
53.03937	2.4
55.01859	0.9
55.05490	1.2
58.06593	2.5
65.03920	1.6
67.05482	2.0
69.03413	1.2
71.04995	1.6
75.04471	15.8
77.03915	1.5
79.05482	16.8
79.05941	1.1
81.03410	1.5
81.07050	15.3
82.06580	0.7
85.02893	2.2
85.06535	1.2
87.04452	1.2
88.07652	0.8
91.05458	2.0
93.07034	1.1
94.04179	1.7
94.06548	3.1
95.04958	11.4
95.08591	0.8
96.05737	1.2
98.23439	1.3
99.92017	0.8
100.07591	0.8
101.06010	25.8
103.05479	1.2
105.03383	39.8
105.04411	4.4
105.07000	2.1
107.04946	0.9
107.07396	0.7
107.44122	0.7
108.08065	1.3
109.06501	8.3
111.08069	63.0
115.05449	1.2
115.07552	1.2
119.04955	1.5
120.08103	1.5
121.02814	1.0
121.06461	1.2
122.09650	1.2
126.55204	0.6
128.06207	0.8
129.06976	1.4
131.08589	1.2
133.02821	1.6
134.09668	1.3
137.05991	1.3
138.09091	2.2
141.06982	0.7
141.09090	16.3
144.08096	1.6
145.02777	1.4
145.06471	1.2
147.04294	0.8
148.11174	2.2
150.09116	1.3
158.09630	1.9
164.10684	2.0
165.06979	0.9
168.10243	1.0
170.09702	0.8
172.11206	1.2
176.10649	1.2
177.05461	3.2
179.08618	1.2
190.12270	3.2
200.99504	0.7
204.13890	0.7
205.10037	1.0
207.06549	0.8
212.10754	0.8
214.12030	0.8
217.10155	1.0
223.11279	0.8
229.12120	0.8
252.13744	0.9
254.11554	0.9
281.11600	0.6
327.78635	0.7
340.19116	0.8
345.97784	0.7
366.58661	0.8
368.18311	1.1
372.21527	1.4
400.21133	1.6
403.87170	0.9
420.18585	0.8
434.19354	1.8
444.27188	1.4
452.20413	1.6
460.22913	0.9
466.22009	1.5
466.27957	1.8
474.25171	0.9
490.22662	1.6
492.25671	2.2
494.25165	1.1
522.25055	4.7
554.27429	17.2
582.26904	9.0
614.29407	100.0
615.29700	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	614.3316
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
56.05029	1.1
58.06597	4.8
59.05004	0.6
67.05487	0.8
69.08127	1.0
69.08527	2.2
71.04982	1.4
72.08153	4.0
75.04475	4.3
77.03923	0.4
79.05490	1.5
81.07040	0.7
91.05470	2.1
93.07027	0.5
95.04955	1.4
101.05991	0.5
102.09208	0.6
103.05448	1.0
105.03380	4.5
105.04530	0.6
105.07001	2.0
108.08114	1.4
109.06511	1.7
111.08072	2.9
115.05450	0.8
117.07030	1.6
119.08591	0.7
121.06493	2.7
122.09656	0.9
125.05884	0.4
128.06223	1.3
129.06999	3.1
131.08549	1.0
133.06483	1.1
134.09694	0.6
135.08026	2.6
136.07539	0.5
138.09084	0.5
140.10716	1.5
141.06975	1.6
141.09081	0.8
143.08521	0.6
144.05797	0.5
144.08083	0.5
145.06470	1.2
147.08049	1.0
151.07518	0.6
152.10645	2.2
153.07011	0.9
155.08594	1.2
158.09662	1.3
159.08044	0.9
160.11162	1.1
161.09683	0.5
165.07034	1.4
165.09151	0.5
166.07762	0.8
167.08563	1.6
171.08031	0.9
171.10419	0.6
172.11137	1.0
173.09697	0.8
174.09084	0.5
177.09181	1.6
178.07756	1.4
178.12300	1.2
179.08568	1.4
181.10147	0.6
183.08011	0.8
184.11192	1.1
185.09607	1.4
190.07735	0.5
190.12230	0.5
191.08577	2.0
192.09358	0.4
193.10226	1.3
195.08051	0.6
197.09682	0.9
202.07799	1.3
203.08603	2.6
203.10199	0.5
204.09370	1.5
205.10133	1.9
215.08583	1.5
216.09372	1.6
217.10138	1.5
218.10904	0.8
219.11758	2.0
221.09767	0.7
223.11194	1.2
228.09460	0.7
229.10034	2.6
230.10938	0.6
231.11620	2.1
233.09698	0.6
234.12785	0.6
235.11160	0.7
236.14180	0.6
237.12827	0.8
241.10159	0.5
243.11600	0.4
246.10522	0.6
247.11220	1.6
248.11949	0.5
248.14281	0.5
249.12817	1.0
250.15796	0.5
252.13670	0.5
253.12375	0.5
261.12732	1.6
263.14337	0.6
273.15439	0.4
279.13806	0.7
280.17154	0.4
286.16013	0.7
290.15408	0.5
293.15317	0.8
304.16876	1.0
310.18097	0.7
311.16321	0.8
318.18634	1.2
322.18060	0.5
325.17960	0.5
334.18127	0.6
336.19577	0.8
342.20795	0.6
350.21024	0.6
353.17496	0.6
356.22180	0.6
366.20673	0.5
368.22238	0.5
378.20618	0.9
382.23877	0.8
384.21619	0.7
385.20377	0.6
386.23059	0.6
396.21680	1.8
410.23026	2.0
416.24310	1.8
418.76193	0.4
428.24301	3.8
429.24326	0.4
442.19882	0.5
442.25931	9.2
460.26917	12.4
461.27014	0.6
474.28549	1.6
492.29535	28.6
493.29739	1.2
614.33154	100.0
615.33374	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	614.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83978	0.5
51.75266	0.5
55.56655	0.5
57.07070	12.7
58.06594	1.9
65.68832	0.6
70.06607	0.9
74.06072	0.9
79.05496	1.4
86.06060	1.0
86.38088	0.5
91.05478	0.9
94.06559	1.1
95.04971	0.9
98.22638	1.1
99.74768	0.6
105.03369	1.3
105.07047	2.2
108.08121	1.3
110.06053	0.9
111.08098	0.8
111.15291	0.5
114.05457	0.6
117.07037	1.2
119.08594	0.8
120.08245	0.5
121.06490	0.8
129.07040	1.2
131.08609	0.7
132.08069	1.1
143.08589	1.5
144.08089	0.9
145.06532	0.8
147.07982	0.6
155.08571	1.3
157.08871	1.4
157.10092	0.9
158.09663	2.1
165.06953	0.7
165.52765	0.5
167.08571	0.8
169.10147	1.2
172.61935	0.6
174.90038	0.7
178.07724	1.0
179.08598	1.7
180.09283	0.8
180.78958	0.5
181.10168	0.9
191.08534	0.8
193.10126	2.5
195.11684	1.0
197.09650	0.6
203.08633	0.7
204.09351	0.9
205.10149	1.0
206.10811	0.7
207.11685	1.2
209.13362	1.1
210.12746	1.1
215.08578	1.0
217.10051	1.0
219.11699	1.3
221.13199	1.2
222.10631	0.7
222.12836	0.5
223.51796	0.6
230.10938	0.9
233.13220	0.9
235.14812	1.4
245.13388	0.8
251.14374	0.6
260.14264	0.9
263.14252	1.9
276.17419	8.7
293.60242	0.5
294.18469	3.1
304.17004	1.7
322.17996	5.6
322.21368	0.6
336.19934	0.8
340.19205	1.1
354.20691	1.3
364.19141	1.1
367.30463	0.7
382.20010	5.2
438.26578	0.8
460.27002	1.5
466.25995	1.9
484.26810	0.7
492.29599	4.2
498.28513	4.9
502.47458	0.6
512.26355	0.8
526.27893	17.1
527.28320	1.3
544.29047	0.7
614.33154	100.0
615.33545	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	614.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03930	1.2
56.05019	1.7
58.06589	6.0
59.04995	0.8
67.05494	1.3
69.03426	0.7
70.06586	0.9
71.04983	2.7
72.08144	5.1
75.04481	4.0
77.03914	0.9
79.05484	3.4
80.05005	0.6
81.03419	0.7
81.07038	1.7
84.08131	1.6
85.02894	2.0
85.06545	0.7
88.07623	1.3
91.05479	3.8
93.07047	1.6
94.06559	1.0
95.04952	7.8
95.08595	0.6
96.08124	1.6
97.06503	1.1
101.06046	0.9
101.36723	0.5
103.05466	1.1
105.03379	43.0
105.04404	3.8
105.06993	3.1
107.04922	1.1
108.08118	3.0
109.06510	1.7
109.59589	0.5
111.08082	3.9
112.07581	0.7
114.09100	0.8
117.06985	1.6
118.06567	0.7
119.04901	0.7
119.08570	1.4
119.30443	0.5
120.08043	0.8
121.06496	2.3
122.09639	1.1
123.08051	1.0
124.07617	1.0
125.06004	0.5
128.06197	1.0
129.06975	3.6
131.04892	1.0
131.08556	1.5
132.08110	0.6
133.06438	1.0
134.09653	1.7
135.08034	1.6
137.05954	2.7
137.08252	0.8
137.13284	0.5
138.09128	1.3
140.10683	1.7
141.06978	1.5
141.09114	0.7
143.08527	1.7
144.08087	1.1
145.06467	1.3
145.10007	0.7
146.09612	0.9
146.44403	0.7
147.08047	2.1
149.09601	0.7
150.09074	0.5
151.07607	1.0
152.10692	1.6
153.07005	1.4
154.07695	0.7
155.08546	1.6
157.06337	0.7
157.08833	2.4
158.09604	1.2
159.08029	2.0
160.07570	0.9
164.10693	1.5
165.06973	1.9
166.07773	0.7
167.07259	0.7
167.08542	2.3
169.10121	0.8
170.09676	0.8
170.11827	0.6
171.08090	1.0
172.11232	1.7
174.09094	1.3
174.12752	0.7
176.10687	0.7
177.09119	1.4
178.07790	2.2
179.08562	2.8
181.10118	1.3
182.09587	0.9
183.08028	0.6
184.11163	1.6
185.06012	0.7
185.09599	0.9
188.10602	1.1
190.12148	0.7
191.08563	1.5
192.09259	1.5
193.10147	2.1
195.08060	0.7
197.09537	1.0
198.12802	1.0
200.10693	1.0
202.07802	1.8
202.12138	0.6
203.08522	2.3
204.09328	2.0
204.13765	1.4
205.10226	2.6
207.11633	0.8
208.11191	0.6
209.09592	1.4
210.12788	0.7
212.10722	0.8
215.08592	1.1
216.09361	1.2
217.10077	2.2
219.11638	1.6
219.57988	0.8
220.11314	0.7
221.09506	1.4
223.11070	1.2
229.10052	1.2
231.11612	1.3
232.08887	0.8
232.11122	1.0
233.09561	1.1
234.12814	0.7
235.11131	1.4
236.16426	0.9
237.12675	0.7
246.10422	1.0
247.11063	1.1
248.14360	0.7
250.15736	0.6
262.15967	0.7
264.13776	0.6
276.13846	0.6
278.15359	1.0
279.10052	0.6
279.13620	1.1
292.17023	0.8
296.16315	0.8
304.16953	1.4
312.98599	0.7
336.15909	0.8
336.19598	0.7
340.19028	1.4
344.21985	1.1
354.20737	0.6
364.19022	1.0
372.21729	8.5
396.21725	2.1
400.24933	0.8
410.23410	1.0
416.24277	0.9
428.24246	7.7
441.42770	0.7
442.25742	1.6
449.21210	1.2
460.20523	1.3
460.26917	25.8
462.22897	0.9
467.22293	1.0
492.19815	0.8
492.21344	0.9
492.29544	13.9
493.30017	0.9
494.25339	8.1
495.25662	0.8
522.24548	2.1
554.27374	14.3
555.27637	1.5
582.27307	2.7
614.33282	100.0
615.22424	0.8
615.33838	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	614.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01692	0.3
51.49952	0.3
53.03952	0.5
55.01866	0.8
55.05498	0.6
56.05032	4.4
56.91785	0.3
57.03434	1.0
58.06598	5.6
61.02927	1.6
67.05514	1.2
69.03417	5.7
69.51206	0.9
69.51595	1.0
70.06590	1.3
71.04992	2.4
72.08150	2.3
72.97375	0.4
73.02921	1.4
75.04477	0.9
79.05492	1.8
80.05013	0.7
81.03427	1.5
81.07047	1.2
82.06577	1.6
84.08141	1.5
85.02898	8.6
87.04475	1.3
91.03976	0.6
91.05474	2.7
93.07047	1.8
94.06593	0.4
95.04958	0.5
96.08146	1.4
97.02880	3.4
98.09713	1.0
98.23430	0.7
99.04470	0.5
101.37167	0.4
102.09173	1.4
102.29772	0.4
105.07041	1.6
107.05000	0.5
107.08578	0.8
108.08105	6.5
109.02885	0.7
109.06506	0.7
112.07619	1.3
114.09162	3.7
115.03947	0.5
115.05424	0.5
117.07030	1.7
119.04957	0.5
119.08537	0.6
120.04495	0.9
120.42583	0.4
121.06452	0.6
121.08903	0.5
122.09692	1.8
123.08045	0.4
124.11221	0.7
127.03922	1.2
128.06198	0.8
128.10757	0.7
129.06989	2.7
131.08588	1.3
133.04961	0.4
133.06454	0.5
134.09624	0.6
135.11705	0.5
138.05499	0.5
139.96991	0.4
141.06953	1.9
143.08583	2.0
145.05005	0.5
145.06512	0.5
145.10110	0.6
146.09677	0.4
148.11185	0.6
154.12340	1.1
155.08508	2.2
157.10118	1.0
159.08107	0.8
161.09520	0.5
165.07077	0.7
167.08597	1.5
169.10179	1.6
171.08131	0.7
171.11699	0.9
172.11238	0.5
174.12793	1.4
176.10728	0.5
177.05536	0.5
179.08603	1.1
181.10181	1.5
183.08109	0.5
183.11810	0.4
185.13268	0.5
186.12727	0.6
193.10161	0.9
195.11810	1.3
197.09564	0.5
197.13312	1.7
205.10136	0.4
207.11748	1.4
213.12839	0.8
221.13312	0.8
225.12775	1.2
237.12917	0.6
243.13728	2.9
249.12691	0.6
257.15421	0.4
263.25644	0.4
267.13864	0.6
282.15176	0.4
324.19513	0.5
330.20538	0.4
342.20898	0.6
356.22250	2.1
360.21796	0.7
374.23395	0.5
388.24774	3.3
420.27399	2.3
434.25497	0.5
452.30368	1.1
522.26483	2.6
536.28284	0.9
550.30310	2.6
554.29346	0.8
564.31610	0.9
582.32684	23.1
583.33319	1.7
609.24371	0.4
614.35297	100.0
615.35577	6.0
640.64270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01865	25.8
55.05290	4.2
55.05507	48.4
55.69321	4.2
57.03427	27.7
57.07060	10.0
59.04976	7.9
65.03891	4.0
67.05494	79.6
69.03414	9.9
69.07052	24.6
69.66667	12.4
71.04988	14.8
71.08628	10.5
79.05479	77.0
81.03404	68.2
81.07045	98.3
83.04975	28.9
83.08606	41.6
85.02891	34.8
85.06535	6.0
85.10165	10.7
91.05456	76.4
93.07033	86.7
93.23714	3.7
95.04948	50.3
95.08592	51.8
97.06516	21.8
98.22678	7.1
99.08070	13.8
101.99976	4.0
102.09188	3.8
105.03347	4.1
105.04446	4.2
105.07010	62.2
106.07346	4.7
107.04908	18.5
107.08586	52.3
108.08915	5.9
109.06531	23.8
109.10153	27.2
110.45951	3.8
111.04447	5.6
111.08078	35.5
113.09664	9.2
117.07008	17.5
119.08575	53.6
120.08861	6.8
121.06493	10.7
121.10138	36.1
123.08043	15.7
123.11670	13.0
125.09582	11.4
128.47964	4.0
129.06958	26.0
129.43239	4.3
131.08525	28.3
133.06537	4.2
133.10091	39.6
135.08060	6.5
135.11691	17.9
137.09604	11.2
139.11188	5.8
141.07004	5.9
142.07704	5.3
143.08524	12.5
145.10114	22.0
147.08020	10.5
147.11655	31.0
149.05972	10.7
149.09599	19.1
149.13222	4.6
151.07512	9.2
151.11133	11.0
155.08513	6.1
157.10094	23.6
159.08070	8.9
159.11694	13.0
161.09531	7.4
161.13229	13.1
163.11183	23.9
164.11542	5.2
165.09064	5.3
165.12735	23.3
167.10658	17.1
169.10103	8.3
171.11584	10.2
173.09587	7.5
173.13191	5.9
175.11113	22.0
177.91101	4.1
181.12187	10.2
183.11588	4.2
185.13220	4.7
191.14281	4.3
193.12236	63.0
195.11670	6.0
195.13499	4.2
199.10991	4.5
209.13277	3.8
209.15334	5.0
211.13210	56.4
211.14818	5.1
213.16284	5.7
221.15265	13.3
230.16061	4.9
250.62213	4.4
259.20679	6.9
267.15836	39.7
271.20639	5.8
275.20007	7.5
276.20300	3.7
277.21603	62.1
285.16925	100.0
295.22626	23.7
343.22879	6.7
344.22964	6.3
351.25226	34.8
369.26285	37.6
479.30115	6.9
492.28922	4.1
543.36743	21.5
561.37970	32.4
579.38922	35.0
582.39789	8.4
614.32208	21.4
614.42914	8.0
615.33398	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	614.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	28.3
57.03445	21.6
57.07065	17.3
67.05492	87.8
69.07062	45.3
69.38584	11.5
69.71304	21.9
69.71698	21.9
79.05483	51.4
81.03403	99.6
81.07043	100.0
82.07343	12.2
83.08611	47.4
89.06017	41.9
91.05436	55.8
93.07019	52.1
95.04967	45.2
95.08585	73.9
97.06527	15.2
97.10183	12.2
105.07017	47.1
107.04950	12.3
107.08563	39.1
109.06524	19.6
109.10139	41.0
111.08050	17.7
119.08591	54.3
121.06469	9.7
121.10130	34.1
123.11681	11.0
129.07037	8.8
131.08560	29.3
133.06526	12.1
133.08572	16.9
133.10127	38.1
135.08038	11.4
145.10143	21.6
147.11626	17.5
157.10071	21.2
159.11700	13.9
171.11732	11.0
175.11211	16.3
176.50616	9.5
181.09966	10.7
192.87242	10.5
193.12265	26.4
267.15869	92.8
337.27280	58.4
412.69720	11.5
529.38959	52.5
547.39496	22.4
614.48199	32.5
615.43915	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	614.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89571	1.2
55.01865	2.4
55.05498	6.1
57.07067	54.1
65.03913	1.5
67.05490	10.0
67.60678	1.0
69.03413	1.6
69.07062	11.1
71.08621	48.8
73.06544	6.5
79.05487	11.8
81.03392	1.9
81.07046	11.2
83.04956	1.8
83.08610	3.8
85.10172	34.9
87.04450	7.8
89.06017	100.0
91.05487	7.5
93.07024	10.1
94.07329	1.6
95.04962	3.2
95.08584	6.3
97.06525	3.1
97.10139	4.1
99.08115	1.5
99.11707	10.0
105.07027	7.6
107.07028	3.6
107.08570	7.2
109.06521	3.8
109.10140	3.3
111.04374	1.3
111.08047	1.5
111.11722	5.4
113.13249	6.5
117.07002	1.8
117.09108	7.8
119.08570	7.8
121.06458	1.5
121.10128	5.0
123.08044	2.7
125.05942	1.3
125.09577	1.8
125.13239	2.9
127.14794	5.9
129.07001	1.5
130.08609	1.4
131.07007	2.1
131.08549	4.6
133.08583	76.6
133.10159	4.0
134.08867	1.3
135.08025	1.9
135.11684	2.9
137.09576	1.7
143.06999	1.6
143.08521	2.2
145.10098	4.0
147.07997	1.6
147.11639	1.6
149.09619	2.4
153.09094	2.2
157.10069	2.4
158.27977	1.1
159.08015	1.1
159.11690	1.3
160.18445	1.2
161.09549	1.4
161.11783	1.5
163.11168	1.4
167.10635	2.4
175.09598	1.4
175.14769	1.5
177.11192	33.5
177.12735	1.6
183.21066	2.3
185.13255	1.1
193.10181	1.8
198.97398	1.3
199.14816	1.4
217.15926	2.1
219.12143	1.3
221.13689	7.9
224.42950	1.1
227.23627	2.0
239.14766	3.0
263.16403	1.9
265.16382	1.6
271.26233	4.0
283.17422	3.4
287.70947	1.2
295.51041	1.1
309.18900	1.3
315.28857	5.0
327.20129	2.5
335.25757	2.8
415.25339	8.4
459.68759	1.1
597.46295	8.6
614.33130	2.2
614.48956	2.0
615.39343	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58712	0.8
53.03935	1.1
55.01857	1.1
55.05510	4.9
57.03428	1.6
57.07054	1.6
58.06566	0.8
59.04985	0.7
63.40459	0.7
65.03928	0.8
67.05495	5.2
68.69302	0.7
69.03423	1.6
69.07049	2.9
70.06570	1.2
71.04986	1.1
79.05479	6.8
81.03401	1.4
81.07053	8.2
83.04959	2.5
83.08591	1.8
85.06520	2.0
91.05468	6.7
93.07039	8.9
95.04961	4.6
95.08582	6.1
97.06519	1.8
97.10171	0.9
105.03360	1.0
105.07029	8.3
107.04940	1.8
107.08592	6.5
109.06535	3.4
109.10132	3.3
109.59259	0.6
111.04404	1.7
111.08087	0.8
111.11729	0.6
112.33583	0.6
116.06168	0.9
117.06984	2.9
119.08562	7.7
121.06468	2.3
121.10145	8.3
123.08057	3.2
123.11627	1.0
125.05988	0.6
128.06195	1.1
129.06981	1.4
131.08577	3.7
133.10103	5.2
135.08032	3.5
135.11670	2.5
137.09589	1.9
141.48560	0.7
142.07813	1.1
143.08522	2.5
145.10104	4.6
147.08003	3.0
147.11649	2.4
149.05994	0.7
149.09619	3.1
151.07498	2.5
151.11134	1.5
155.08559	1.4
156.09256	1.4
157.10135	3.2
159.08026	1.1
159.11697	2.2
161.09541	2.2
161.13223	0.9
163.11137	3.1
165.09041	2.6
167.08549	0.8
167.10643	6.2
168.09367	0.9
169.10091	2.4
171.11630	2.6
173.09625	1.6
173.13240	1.8
175.11113	1.4
179.10558	0.7
181.10068	1.5
181.12196	1.6
183.11620	1.6
185.09622	1.0
185.13275	0.8
187.11134	0.9
189.12709	1.6
193.10219	0.8
195.11635	0.9
201.12721	1.2
203.14226	1.0
207.11725	1.2
207.13741	1.9
209.13208	1.4
210.59389	0.7
213.12708	0.8
221.13496	0.9
221.15331	4.7
231.17490	0.8
233.15379	4.4
247.16931	1.1
249.10765	1.0
273.18448	0.6
293.01855	0.8
305.13608	0.8
308.59894	0.7
333.20313	9.1
389.22879	7.4
407.25516	1.1
471.97580	0.7
597.38995	2.3
615.34613	100.0
616.35144	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	615.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06766	0.7
53.03923	1.1
55.01838	2.4
55.05502	6.4
55.12689	0.8
56.96554	1.4
57.03443	1.6
57.07059	1.5
59.04988	1.6
65.03899	1.0
67.05489	11.2
69.03398	2.9
69.07063	5.8
69.21301	2.1
69.21706	3.0
71.04973	2.2
74.57980	0.9
79.05033	1.1
79.05477	13.7
81.03385	1.6
81.07045	15.4
82.07378	1.1
82.19486	0.7
83.04948	5.1
83.08601	5.5
85.06511	2.4
91.05466	12.6
93.07024	17.5
94.07330	1.4
95.04955	6.0
95.08596	9.9
97.06493	3.8
97.10116	1.0
98.97546	3.1
105.04440	1.3
105.07010	15.8
106.07322	1.2
107.04912	1.9
107.08569	11.3
108.08914	0.9
109.06503	6.9
109.10139	5.5
111.08038	1.9
112.99107	1.8
113.09609	1.0
115.05437	1.0
116.98587	1.9
117.06980	4.0
119.07873	1.0
119.08568	13.1
121.06467	4.3
121.10133	12.2
123.08037	4.8
123.11710	2.1
125.05943	1.1
125.09595	2.5
128.06190	1.4
129.06940	3.1
130.07750	0.9
131.00146	2.5
131.08549	8.0
133.06433	1.5
133.10101	8.0
134.99640	1.0
135.07976	4.0
135.11665	4.3
137.09550	2.0
141.06973	1.7
142.07767	2.0
143.00047	1.1
143.08522	6.1
144.09235	1.3
145.06421	1.2
145.10109	8.5
146.10445	1.0
147.08018	2.9
147.11661	4.8
149.01180	1.2
149.09598	6.1
151.07521	4.8
151.11069	1.1
153.06924	1.2
155.08507	2.4
156.09261	2.0
157.10078	5.7
158.99623	0.9
159.08005	1.9
159.11627	3.9
161.09560	3.9
161.13158	2.2
163.11131	6.2
165.09070	3.5
167.10641	10.2
168.09309	1.1
169.10062	3.3
171.11586	4.2
173.09547	1.1
173.13232	3.1
175.11105	1.4
175.14795	1.1
177.00667	2.8
177.09187	1.6
177.12584	1.1
179.08504	1.2
181.10033	1.8
181.12126	2.4
183.11613	3.0
185.09523	2.0
185.13181	2.7
187.11118	2.7
187.14790	1.8
189.12675	2.9
193.10069	2.3
195.11595	2.3
197.13176	2.6
199.02730	1.1
199.11157	1.5
203.14255	1.9
207.11720	1.7
207.13766	2.4
209.13202	1.9
211.13092	1.1
213.12663	1.6
215.14185	1.1
219.17332	1.1
221.15268	6.1
223.11238	1.0
225.12561	1.6
225.16240	1.1
231.13785	1.0
231.17279	1.1
233.15251	3.3
247.16908	2.0
265.17905	1.1
273.18607	1.1
275.19995	3.6
276.20261	3.4
277.20938	1.2
283.15094	1.1
293.05405	2.4
299.19888	1.3
319.19305	2.0
322.20715	1.6
333.20306	13.1
333.23947	1.6
337.20337	3.6
339.21643	1.4
350.24084	2.1
351.24188	0.9
360.21829	0.9
389.22937	6.2
393.23883	1.1
431.29724	1.1
453.40063	0.9
555.27869	2.7
597.39984	4.9
615.34485	100.0
616.34900	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	615.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01869	5.9
55.05503	21.4
57.03427	7.2
57.07069	9.8
58.07386	1.7
59.04987	1.6
65.03932	4.4
67.05494	43.2
69.03422	6.2
69.07053	12.3
71.04990	3.8
71.08624	7.4
73.06552	1.5
77.03909	1.9
79.05482	62.8
81.03415	2.6
81.07045	100.0
83.04967	9.6
83.08601	9.0
85.02898	3.6
85.06538	2.5
85.10178	4.4
87.04499	1.5
89.06023	17.2
90.06387	2.0
91.05466	32.6
93.07034	43.4
93.07597	2.8
94.07389	1.8
95.04948	20.0
95.08586	24.0
96.24197	1.4
97.06523	5.0
97.10140	7.6
97.56150	1.4
98.23515	3.0
99.04464	2.7
99.08100	2.1
103.05510	1.4
105.03406	1.6
105.04512	3.3
105.07012	26.9
107.04958	7.7
107.08584	18.5
109.06501	40.7
109.10148	12.1
111.04441	7.8
111.08074	3.4
117.06995	12.6
119.08565	33.6
121.06471	9.9
121.10130	23.3
123.08051	8.1
123.11710	3.1
125.05903	1.6
125.09615	7.1
128.06247	2.7
129.05484	1.6
129.06963	8.9
130.07755	1.4
131.08545	15.5
133.06526	2.7
133.08591	8.2
133.10095	16.9
135.08026	7.2
135.11670	10.4
137.09602	3.2
142.07774	2.7
143.08531	9.1
144.09375	1.7
145.06483	1.8
145.10095	20.2
147.08031	9.5
147.11694	5.0
149.09587	7.3
149.13245	2.5
151.07550	1.7
151.11134	1.9
155.08606	1.7
156.09369	1.8
157.10077	9.1
159.08057	4.4
159.11662	6.4
161.09581	9.6
163.11150	8.5
165.09087	6.5
167.10638	9.6
169.10118	4.1
171.10286	1.4
171.11661	6.4
173.09557	3.3
173.13255	3.3
175.11177	2.2
175.14877	3.3
176.70726	1.7
177.11237	1.6
181.10161	1.9
181.12270	4.6
183.11722	2.3
185.13263	3.6
187.14926	1.7
189.11205	2.7
191.10791	1.9
194.11023	1.6
195.11702	4.3
203.14265	1.7
207.13823	1.8
209.13278	4.3
215.18016	3.0
221.13475	1.9
227.12589	1.9
233.15355	6.1
233.18961	1.8
235.14793	2.2
247.14827	1.8
249.14923	4.9
255.17409	4.1
273.18460	23.8
291.19498	66.3
292.19934	1.7
307.22641	42.1
347.22269	3.2
365.23251	9.0
583.40924	1.8
597.41412	14.7
615.41998	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	615.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.1
51.02366	1.4
53.03936	4.9
55.01860	13.4
55.05500	39.2
57.03428	8.9
57.07058	1.9
59.04993	1.7
65.03933	3.8
67.05491	70.7
69.03419	5.0
69.07054	18.7
71.04983	4.9
77.03908	2.3
79.05477	99.9
80.05798	1.2
81.03401	9.7
81.07041	100.0
82.07379	1.2
83.04965	18.7
83.08604	18.2
85.02888	3.3
85.06524	3.2
91.05463	48.5
93.07027	78.7
95.04328	1.4
95.04948	30.6
95.08587	31.0
97.02859	0.8
97.06510	10.8
97.10149	20.2
99.04444	5.0
99.08095	4.0
101.02415	0.7
103.05434	1.6
105.03368	0.8
105.04512	5.6
105.07010	36.1
107.04939	6.6
107.08577	31.8
107.09152	0.7
107.09318	1.1
109.06507	10.0
109.10138	16.4
111.04420	19.8
111.08060	8.8
113.06001	1.0
115.05440	1.2
117.06992	15.6
119.08556	29.5
121.06490	10.5
121.10117	38.8
123.04384	1.2
123.08045	32.0
123.11687	4.1
125.05989	1.2
125.09604	19.7
128.06210	1.6
129.06973	7.0
130.07758	2.1
131.04929	0.9
131.08534	20.0
133.06482	2.4
133.10110	15.8
135.08018	5.6
135.11670	17.7
137.09602	7.3
139.11165	2.0
141.06935	1.5
142.07805	1.6
143.08569	5.9
143.10648	0.9
145.06448	0.9
145.10094	19.3
147.08000	7.3
147.11656	8.8
149.09587	6.4
149.13220	4.0
151.07498	1.0
151.11104	2.1
153.09058	3.2
153.12721	9.7
155.08499	2.4
157.10078	5.5
159.07996	1.8
159.11649	8.8
161.09612	4.9
161.13240	3.1
163.11147	21.1
165.09116	7.2
165.12692	1.1
167.08359	0.8
169.10043	1.9
171.10152	2.5
171.11676	4.7
173.09605	4.5
173.11775	1.0
173.13199	3.5
175.11104	3.8
175.14766	1.6
177.12723	2.3
179.10643	1.2
181.10257	1.6
181.12178	14.9
183.11641	1.6
185.09494	0.8
185.13214	2.5
187.11060	1.6
187.14836	2.1
189.11185	26.5
189.12567	1.0
189.16290	0.8
191.10641	10.6
193.10457	0.8
193.12204	4.0
195.11671	2.1
195.13644	1.0
197.13341	1.2
199.11076	1.2
199.14787	2.1
201.12711	1.2
201.16327	1.8
203.14296	1.5
205.12204	1.3
207.11685	0.9
207.13730	1.1
209.11649	2.9
211.13162	1.0
211.14932	1.0
213.16208	1.7
215.17999	7.5
221.15314	1.9
223.13197	6.8
227.12730	16.9
227.17911	2.7
231.17322	2.0
233.15353	1.1
233.18970	4.8
237.14587	1.1
241.14359	0.9
245.18896	1.5
249.14766	1.0
255.17459	3.5
263.20062	1.9
271.16995	0.8
273.18436	25.9
275.20001	1.4
283.15219	3.6
289.21591	1.3
291.19482	60.6
292.19888	1.8
307.22620	43.3
308.22964	0.9
309.20691	3.9
315.26782	1.0
347.22049	3.4
365.23111	17.3
383.24048	0.9
429.30069	0.9
477.31772	1.3
494.58823	0.9
505.36795	1.5
523.38129	0.8
533.34937	1.0
579.40149	1.3
597.32190	1.1
597.41284	17.5
598.40887	1.0
615.42883	23.9
616.42786	1.6
628.12762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	19.4
59.04979	13.2
67.05485	32.7
69.03435	9.0
69.07049	17.8
70.93438	6.3
73.06557	6.8
79.05473	30.6
81.07037	34.0
83.08599	7.7
85.06516	22.3
85.90112	5.5
91.05457	42.4
93.07024	60.5
95.04942	21.8
95.08588	44.1
97.06578	5.3
97.10153	6.1
105.07002	72.1
107.08583	49.7
109.06501	12.2
109.10136	19.1
111.08050	9.6
112.49612	6.8
117.06988	11.9
119.08578	76.5
121.06474	5.6
121.10130	42.4
123.08035	46.1
125.06019	7.6
125.09566	8.6
127.20669	5.2
128.06223	7.5
129.06966	10.1
131.08548	32.0
133.10092	57.4
135.08066	11.1
135.11661	26.9
137.09508	12.3
142.07758	12.6
143.08533	23.2
144.09219	6.8
145.10126	38.8
147.08011	17.6
147.11646	13.7
149.09572	10.6
149.13138	6.0
149.91273	5.2
151.07515	38.6
151.11137	8.4
153.09085	9.4
155.08525	13.1
157.10100	29.1
159.11664	25.1
161.09598	11.3
161.13301	7.9
165.09042	31.9
165.12596	5.8
169.10118	13.1
171.11665	19.8
173.13234	15.7
175.11185	7.5
175.14810	26.1
177.12688	7.3
181.10085	10.1
181.12218	14.0
183.11620	14.2
185.13190	8.3
187.14801	9.9
189.12683	17.4
193.10139	10.4
193.12196	6.5
194.10902	6.1
195.11641	7.4
197.13200	9.0
199.14807	7.4
201.16293	8.2
203.14270	16.8
207.11696	10.7
207.13773	24.6
209.13287	15.7
211.13242	10.6
221.13341	6.4
221.15326	90.1
223.16850	11.0
313.35089	5.9
412.89334	5.9
491.34802	6.1
492.34125	6.6
565.39868	10.4
583.41046	27.1
597.42548	13.6
615.44092	100.0
616.43457	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	615.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.01862	4.9
55.05504	30.4
57.03401	4.1
57.07064	18.5
59.04984	16.0
63.46526	2.9
64.92635	3.8
65.03935	3.9
67.05495	47.2
69.03425	10.1
69.07062	32.8
69.87601	5.9
71.04980	4.9
71.08621	5.9
73.06588	4.9
79.05486	49.9
81.07047	75.8
81.07497	6.3
83.04965	13.4
83.08601	14.6
85.02896	8.3
85.06522	23.4
85.10210	4.5
87.04446	4.4
89.06008	12.4
90.93938	3.6
91.05470	63.4
93.07034	85.2
95.04953	31.6
95.08592	51.6
97.06471	15.6
97.10175	3.9
98.22734	5.3
99.04437	54.1
99.08080	4.7
103.05470	6.4
105.03384	4.0
105.07016	89.7
106.07341	3.7
107.04969	9.0
107.08583	72.7
109.06477	18.6
109.10144	38.5
111.08059	13.7
113.09626	3.6
115.05444	10.1
116.06257	3.6
117.06998	24.3
119.08565	100.0
121.06516	14.4
121.09258	4.7
121.10132	92.6
123.08047	21.4
123.11689	14.0
124.68427	3.3
125.05953	9.1
125.09628	14.5
128.06235	13.8
129.06987	16.0
130.07755	9.3
131.08556	49.1
133.06479	8.7
133.08565	8.9
133.10112	66.6
135.08064	20.0
135.11653	33.6
135.81772	3.1
137.09576	15.0
139.11134	7.2
141.07011	9.8
142.07744	15.4
143.08533	34.0
144.09323	5.9
145.06454	3.2
145.10109	73.0
147.08002	19.1
147.11652	20.8
149.09615	33.0
149.13176	5.4
151.07518	10.3
151.11133	8.0
155.08537	12.9
155.10635	3.9
156.09343	12.1
157.10124	37.3
158.10785	5.7
159.08055	14.0
159.11646	30.6
160.12198	3.4
161.09543	17.3
161.13225	10.4
162.69643	3.2
163.11156	18.3
163.21175	3.2
165.06956	5.5
165.09100	7.8
167.08554	9.2
167.10658	66.4
168.09351	9.7
169.10127	26.0
170.10890	9.6
171.08011	4.7
171.11626	26.7
173.09616	10.6
173.13249	29.8
175.11205	18.0
175.14841	21.2
176.15276	3.3
177.12663	4.9
179.08424	8.5
181.10103	11.1
181.12228	13.9
182.10875	9.7
183.11667	21.0
185.09627	7.1
185.13240	11.2
187.11139	7.0
187.14821	11.8
189.12729	20.3
191.14290	8.7
193.10149	11.2
194.10910	7.3
195.11664	27.0
196.12450	7.9
197.13231	21.4
199.11092	4.5
199.14792	9.4
201.12630	4.1
201.16342	12.6
203.14288	9.3
207.11694	13.3
207.13737	6.7
208.12421	4.9
209.13229	21.5
209.15115	6.2
211.11133	4.0
211.14801	13.5
215.14301	8.9
217.15872	7.1
219.11668	5.5
220.12538	3.8
221.13225	8.5
221.15350	24.5
223.14793	12.2
223.16835	7.9
225.12631	4.3
225.16342	6.3
227.14343	4.1
231.17401	6.2
233.13187	8.5
233.15341	23.3
235.14836	8.9
237.16443	5.5
239.16341	8.8
241.15891	4.3
246.13947	4.2
247.14838	4.5
259.14819	4.2
261.16162	3.6
263.18011	3.7
269.18979	3.7
273.16046	5.3
273.18668	6.5
275.17712	3.8
279.17462	4.7
281.18976	7.2
283.20465	5.1
285.18887	4.2
285.21979	3.9
291.19458	17.9
295.20367	3.8
297.18439	7.0
299.20120	10.7
307.22614	6.6
335.24252	3.5
351.23022	4.2
365.23947	3.6
394.28427	4.6
565.40710	5.7
568.78668	3.1
583.41034	17.0
597.42096	7.4
615.43774	22.7
616.43835	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	615.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.6
53.32940	4.1
55.01854	9.6
55.05255	3.8
55.05501	45.0
57.03413	4.9
57.07069	74.1
58.07384	10.9
59.04982	11.5
63.86620	3.8
65.03934	6.6
67.05496	53.2
69.03419	16.5
69.07064	38.2
71.04973	6.3
71.08622	47.4
71.44147	3.4
72.08957	9.2
73.06546	8.7
79.05483	58.5
80.05807	3.6
81.03387	8.6
81.07045	71.1
83.04971	14.9
83.08602	24.5
85.06544	22.0
85.10159	26.5
86.10511	8.7
87.04448	10.4
89.06021	100.0
90.06369	8.7
91.05464	66.7
93.07031	92.9
95.04950	40.0
95.08592	53.6
97.06528	13.0
97.10156	9.2
99.04425	12.7
99.11707	8.6
105.04482	6.9
105.07017	78.3
107.04939	10.6
107.08582	69.9
109.06487	22.4
109.10137	39.8
110.28534	3.6
111.08049	6.9
111.11720	6.1
113.13239	4.5
114.13631	5.8
115.05408	4.7
117.07012	23.9
119.04990	3.5
119.08556	80.9
120.08868	5.5
121.06493	15.4
121.10130	84.3
122.10413	3.9
123.08066	22.4
123.11699	11.4
125.05977	8.2
125.09631	20.0
127.14764	4.8
128.06203	13.4
129.07018	23.1
130.07793	8.0
131.08557	40.2
133.06483	4.0
133.08601	60.9
133.10104	57.3
134.08920	13.0
135.08041	17.1
135.11650	19.8
137.09602	13.5
139.11160	7.7
141.06934	4.3
142.07716	11.3
143.08546	30.9
144.09283	4.8
145.06413	4.1
145.10098	44.2
147.08018	15.9
147.11655	15.5
149.09598	25.2
151.07495	8.7
151.11148	5.4
153.09041	4.8
155.08516	14.5
156.09317	13.4
157.10158	32.1
158.10847	4.1
159.08011	20.2
159.11682	25.5
161.09596	9.6
161.13216	11.7
163.11142	16.3
165.06958	5.4
165.09113	9.9
167.08549	5.0
167.10649	78.2
169.10036	19.3
171.11635	19.2
173.09563	8.4
173.13245	12.7
175.11095	10.3
175.14763	17.8
177.11198	20.6
177.12653	6.9
178.11554	5.3
179.08510	12.5
179.10681	4.8
180.09259	5.4
181.10036	11.2
181.12184	10.6
182.10925	5.8
183.08044	4.4
183.11624	9.7
185.09573	6.2
185.13245	10.6
187.11180	11.8
187.14775	9.0
189.11125	3.9
189.12733	13.0
191.14291	5.6
193.10095	11.1
194.10834	6.2
195.11707	12.5
197.13217	10.3
199.11264	7.3
199.14742	7.8
201.12801	4.9
201.16362	9.6
203.14247	7.6
206.10933	5.2
207.11707	9.9
207.13657	3.8
209.09486	3.7
209.11531	4.3
209.13254	17.2
209.15204	8.9
211.11104	4.3
211.14819	10.0
213.12614	6.2
215.14218	6.7
217.15828	8.8
221.13339	10.3
221.15350	20.7
223.14806	7.1
223.16837	6.0
225.12596	4.4
225.16318	5.1
233.13286	6.2
233.15367	35.4
235.14754	6.8
237.16321	5.8
247.14787	5.1
266.16776	4.1
273.18576	8.9
299.19962	16.0
311.20129	3.9
343.24048	5.4
415.25427	5.1
478.73886	3.8
530.64771	4.2
536.14551	4.2
565.40009	7.2
583.40930	13.7
584.40753	4.4
597.41077	10.8
598.45941	6.5
615.40479	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	615.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
54.50428	1.8
55.01873	8.7
55.05505	29.5
57.03429	10.8
57.07072	15.1
59.04993	5.7
60.71010	1.5
65.03922	4.2
67.05496	52.6
68.71788	1.6
69.03429	5.1
69.07067	18.4
71.04982	3.7
71.08620	6.0
73.06576	1.7
77.03922	2.2
77.87051	1.6
79.05484	70.6
81.03421	4.1
81.07046	100.0
83.04965	11.5
83.08614	14.3
85.02895	5.1
85.06520	10.8
85.10170	5.0
87.04486	1.6
89.06013	14.6
91.05470	48.2
93.07037	61.4
95.04955	36.3
95.08589	38.0
97.06506	8.0
97.10178	6.7
98.22650	5.4
99.04433	15.6
99.08086	2.8
99.63908	2.0
103.05466	3.5
105.03403	2.3
105.04499	2.4
105.07021	40.2
107.04940	6.5
107.08581	43.2
109.06501	49.9
109.10147	18.9
111.04421	8.1
111.08067	7.1
113.06006	7.4
115.05474	3.6
117.07012	20.9
117.25233	1.6
119.04930	2.2
119.08560	48.8
121.06506	7.8
121.10126	45.9
123.08065	8.6
123.11684	5.1
125.05968	2.5
125.09614	8.1
128.06233	5.7
129.07010	11.9
129.08984	1.7
130.07764	4.1
131.08557	26.1
133.06487	6.4
133.07605	1.7
133.08582	7.1
133.10098	26.5
135.08046	15.4
135.11684	14.1
137.09605	6.3
139.11220	2.1
141.06970	3.1
142.07774	6.9
143.08513	16.6
144.09369	3.2
145.06491	2.6
145.10103	38.2
145.11215	2.8
147.07988	8.8
147.11668	12.5
149.09624	11.2
149.13268	5.2
151.07495	3.6
151.11169	3.1
154.07726	2.3
155.08560	7.1
156.09413	4.4
157.10094	17.5
159.08087	5.4
159.11662	19.2
161.09612	12.8
161.13248	5.3
163.11203	9.2
165.09102	4.5
166.07803	1.7
167.08551	2.3
167.10667	33.7
168.09477	2.1
169.10092	8.4
170.10843	3.1
171.11664	10.5
173.09666	3.3
173.13235	12.0
175.11183	6.1
175.14772	9.5
177.00111	1.8
177.11308	2.1
179.08537	3.1
180.09358	2.7
181.10110	5.4
181.12228	6.6
182.10916	2.4
183.11740	6.3
185.09639	3.9
185.13243	7.3
187.11121	3.8
187.14862	4.6
189.11192	2.5
189.12769	5.1
191.10571	2.0
191.14293	3.6
193.10126	3.8
194.10915	2.7
195.11687	6.9
196.12392	1.9
197.13263	5.0
199.11150	5.2
199.14815	5.4
201.16351	3.8
203.14284	3.0
207.11700	3.7
207.13701	3.6
209.13287	4.8
209.15306	2.7
213.12677	2.6
215.14281	2.8
215.17943	3.2
217.15919	2.7
219.17369	2.3
221.13359	4.5
221.15408	6.6
223.13072	2.1
223.14961	3.4
223.16811	2.5
225.16394	2.2
233.15323	14.0
235.14812	3.3
239.16220	2.5
243.11736	2.3
249.14687	4.0
251.18030	2.7
255.17441	3.8
265.19424	2.2
272.46747	1.8
273.18488	21.0
275.17813	2.1
281.19162	1.8
291.19498	73.3
292.19916	2.5
299.20203	3.7
307.22641	48.5
311.20294	2.2
347.22336	3.2
348.08746	1.7
365.23181	6.2
376.02618	1.8
530.18060	1.8
579.40277	2.8
583.41089	5.6
594.04962	2.0
597.41760	18.9
615.42621	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	616.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.6
51.02383	0.9
53.03938	1.9
54.14279	0.4
56.05001	0.5
58.06600	1.1
62.34263	0.5
65.89487	0.4
68.62988	0.4
68.74100	0.4
69.03437	0.5
69.23767	1.8
74.80010	0.4
77.03919	1.9
79.05489	1.8
80.07782	0.4
81.03403	0.6
81.05758	0.5
81.07035	0.9
82.06587	0.9
91.05462	1.9
93.07047	1.0
94.06569	1.0
95.04961	10.7
96.08118	0.8
98.06062	0.5
105.03379	56.4
105.04401	3.8
105.07011	2.5
106.03722	0.5
107.04916	2.0
107.08569	0.7
108.08111	1.8
110.06036	1.2
112.07627	0.6
115.05447	1.1
117.06989	1.6
119.04922	1.6
119.08569	0.5
120.08099	0.9
121.06480	1.0
121.08896	0.6
122.06012	0.5
122.09644	1.0
123.08125	0.5
124.07562	0.7
127.20461	0.4
128.06216	1.1
129.06996	1.9
129.07944	0.4
131.04903	0.4
131.07323	1.0
131.08508	0.9
132.08064	0.5
133.06488	0.8
135.08151	0.5
136.07513	0.8
141.06956	1.4
143.08531	1.0
144.08075	1.0
145.06435	1.2
145.08826	0.9
146.09627	2.1
147.08037	0.6
148.07585	1.2
148.11098	0.5
150.09135	0.6
153.06973	1.1
155.08530	1.5
157.08849	16.0
158.09628	2.4
159.08054	0.7
160.07558	1.8
160.11188	0.6
161.08409	0.5
162.09076	1.2
164.10661	0.8
165.06958	1.1
166.07736	0.6
167.08524	1.6
169.06465	0.5
170.09581	0.5
172.07530	3.4
172.11105	0.4
173.08334	4.8
174.09120	10.0
175.09860	1.5
176.10693	1.1
178.07669	0.8
179.08527	1.5
181.06409	0.9
181.10103	1.6
182.07317	0.4
183.08057	0.6
186.09070	0.7
188.10681	0.7
191.08571	0.8
192.09232	0.8
193.10139	2.2
195.08035	1.2
195.11702	0.9
196.11169	0.5
197.09639	0.8
205.10117	1.4
206.11464	0.5
207.11699	1.0
208.08865	0.5
209.09639	0.8
209.13315	0.7
216.09332	0.8
216.13602	0.5
217.10149	0.8
219.11629	1.3
221.09604	0.8
221.13234	0.9
229.10008	0.6
231.11613	1.3
232.09010	0.4
233.13300	0.4
235.11107	1.0
235.13419	0.4
237.12762	0.6
238.12334	0.8
246.12631	0.7
247.11266	0.8
247.13536	0.5
249.12727	0.8
250.12221	0.7
259.10846	0.6
260.14212	0.6
262.15753	0.7
264.13821	0.7
274.12006	0.5
278.15268	0.6
280.16779	0.7
290.15408	1.2
306.14743	1.4
308.16269	1.9
318.14911	0.6
326.17462	2.4
328.59079	0.5
336.15802	1.5
344.18558	1.0
354.16953	3.0
372.17993	4.8
412.35214	0.4
444.24094	0.5
448.20544	0.5
461.69214	0.4
466.21875	0.8
476.20599	3.3
494.21600	12.4
580.71429	0.5
598.23700	1.0
616.24811	100.0
617.25336	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3108
Annotation	Hypaconitine
Peak:m/z	Relative Intensity
51.02379	0.5
51.42462	0.2
53.03940	0.8
55.01862	0.3
56.05033	1.1
58.06589	4.2
59.04988	0.2
60.78423	0.2
65.03929	0.4
65.73248	0.2
67.05493	0.2
68.05006	0.2
70.06577	0.3
71.04984	0.3
72.08131	0.3
74.28943	0.2
75.04478	0.3
77.03922	1.1
79.05473	2.2
80.05048	0.2
81.03398	0.3
81.07044	0.3
82.06568	0.5
84.08125	1.9
85.02892	2.0
88.07615	0.6
91.05469	2.6
93.03371	0.5
93.05729	0.2
93.07055	0.4
94.06559	0.7
95.04961	4.4
96.08122	0.7
97.06522	0.5
98.09666	0.3
98.22693	0.5
100.07644	0.2
103.03955	0.2
103.05479	0.3
105.03378	21.8
105.04398	1.6
105.06997	1.3
106.03732	0.3
106.06516	0.2
107.04940	11.4
108.08099	1.6
109.06514	0.7
110.06016	0.3
110.09666	0.6
111.08031	0.3
111.10402	0.2
112.05728	0.2
112.07614	0.7
115.05445	1.1
116.06194	0.2
117.07004	1.1
119.04944	0.7
119.08559	0.5
120.08097	0.3
121.02856	0.6
121.06481	0.9
121.08856	2.6
122.09671	1.8
124.07579	0.5
124.11235	0.3
125.05956	0.9
126.09203	0.4
128.06213	1.3
128.10701	0.3
129.06982	4.0
130.07761	0.2
131.04924	0.2
131.07556	0.3
131.08543	1.6
132.08057	0.4
133.06496	0.3
134.09604	0.2
135.04417	0.5
135.08012	0.3
135.10374	0.2
136.07562	0.4
137.05981	0.6
138.09157	0.5
140.10747	0.3
141.06985	1.7
142.07724	0.2
143.04871	0.3
143.08536	0.9
144.08075	0.4
145.06465	0.8
145.08862	0.4
146.09639	0.6
147.08060	0.7
147.10455	0.3
149.06023	0.2
150.09181	0.2
152.06158	0.3
152.10713	0.8
153.05469	0.3
153.06973	0.5
155.04887	0.4
155.08553	1.4
156.08067	0.3
157.06520	0.6
157.08900	0.4
157.10126	0.3
158.09616	2.0
159.08069	1.3
159.10426	0.9
160.11185	2.9
161.09586	1.0
162.09125	0.4
162.12735	0.4
163.07523	0.2
164.10762	0.5
165.06947	1.0
166.07747	0.3
167.08556	0.8
169.06499	0.7
170.09723	0.6
171.08070	0.6
171.10417	0.3
172.11241	1.4
173.05980	0.2
173.09688	0.6
173.11987	0.3
174.12837	0.6
176.10632	0.3
178.07698	1.0
179.08478	0.9
181.06485	0.3
181.08759	0.3
181.10156	0.7
182.07271	0.2
182.11734	2.1
183.08049	0.4
183.10437	0.4
184.11188	1.7
185.09583	0.7
185.12006	1.2
186.09132	0.4
186.12756	2.9
187.07404	0.5
188.10704	0.6
189.06966	0.3
190.07813	0.6
190.12099	0.3
191.08549	1.8
192.09314	0.5
193.10121	1.7
195.08087	0.5
196.11185	0.5
197.09554	0.5
198.09050	0.3
198.12680	0.4
199.11195	0.2
200.10739	0.5
201.09125	0.3
201.11406	0.3
202.07762	0.6
202.12221	1.2
203.08572	0.8
204.09340	0.6
204.13815	0.4
205.10132	1.1
207.08109	0.4
207.11697	0.6
208.08963	0.4
208.11218	0.5
209.09679	0.7
210.12808	0.5
212.10677	0.7
213.11455	0.4
214.12192	0.3
215.08592	0.3
216.09323	0.2
216.13806	1.0
217.10062	1.0
218.15463	0.3
219.08107	0.6
219.11755	0.7
220.08881	0.4
221.09642	0.9
222.12730	0.3
223.11209	0.8
228.14061	0.2
229.10088	0.3
230.11729	0.3
231.08052	0.2
231.11708	0.2
232.08890	0.2
233.09509	0.5
234.10562	0.3
234.12801	0.4
235.11122	1.0
236.14317	0.3
239.10786	0.4
240.13776	0.2
242.11678	1.0
244.13104	0.2
245.09647	0.5
247.11290	0.6
248.14183	0.3
249.12750	0.5
250.16080	0.2
251.10802	0.4
260.14514	0.2
263.10825	0.5
264.13916	0.2
268.13095	0.2
274.15771	0.3
277.12381	0.3
279.13715	0.3
280.13412	0.2
280.16763	0.3
286.84216	0.2
290.15518	0.2
292.17261	0.2
294.14975	0.3
294.38599	0.2
295.13339	0.3
298.18259	0.2
302.15338	0.3
304.13260	0.3
308.16208	0.5
309.14780	0.4
314.17453	0.2
318.14984	0.4
320.16522	0.9
326.17487	0.3
332.16272	0.9
334.18164	0.2
338.17615	0.4
340.19470	0.2
352.19019	1.3
370.20261	0.4
384.21841	0.8
386.19583	0.7
394.19849	0.3
412.21317	0.6
418.22418	0.4
430.22217	1.6
432.23514	0.3
444.23843	1.7
462.24689	1.7
474.22321	0.3
476.26303	0.6
494.27338	1.0
506.24744	0.2
529.45178	0.2
539.68030	0.2
566.27399	3.5
567.27618	0.3
584.28479	1.3
598.29755	1.0
616.31067	100.0
617.31403	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	616.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
51.66778	0.3
53.03933	1.1
54.80165	0.3
56.05013	0.4
58.06588	2.2
59.04998	0.4
67.05506	0.4
69.22523	0.9
69.22929	1.1
69.32347	0.3
70.06583	0.5
71.04985	1.2
72.04492	0.4
72.68326	0.3
75.04466	4.1
77.03916	1.2
79.05479	1.3
81.03424	0.4
85.02882	1.7
91.05476	2.4
93.07063	0.5
94.06558	1.4
95.04952	6.6
95.05518	0.5
95.26768	0.4
98.23437	0.6
103.05440	0.4
105.03378	43.9
105.04518	2.3
105.07031	1.2
106.03711	0.5
107.04958	0.9
108.08084	0.9
109.06522	1.1
111.08088	2.1
115.05468	0.8
117.07005	0.7
119.04933	0.9
120.08047	0.8
121.06496	1.5
122.09662	0.6
123.08049	0.5
124.07599	0.6
127.26109	0.4
128.06227	0.9
129.06990	2.4
131.08577	1.3
132.08035	0.6
133.06488	0.4
134.09633	1.0
135.04466	0.4
135.08078	0.7
137.05981	0.6
138.09131	1.6
141.06987	0.9
141.09071	0.5
143.08607	0.6
144.08139	0.9
145.06395	0.5
146.09650	0.8
147.08073	0.9
148.07526	0.7
149.05995	1.1
149.09476	0.3
152.10719	0.6
153.06995	0.9
153.09160	0.4
155.08563	0.9
158.09674	1.4
159.08054	1.1
160.07588	1.3
162.09146	0.5
164.10725	1.8
165.06982	0.9
165.09061	0.4
167.07202	0.4
167.08580	1.0
170.09592	1.6
171.08015	0.7
172.11279	1.3
174.09216	0.5
176.10739	0.7
178.07796	1.0
179.08507	1.7
182.09654	0.5
185.09715	0.5
186.09065	0.4
188.10831	0.5
190.08641	0.5
191.08627	1.2
192.09285	0.9
193.10130	1.3
195.08087	0.8
196.11302	0.4
197.09695	0.6
198.12817	0.5
202.07855	1.2
202.12198	0.4
203.08562	1.2
204.09366	1.2
205.10141	1.4
207.11679	0.7
209.09761	0.8
211.11191	0.5
216.09404	0.6
217.10155	1.9
219.08092	0.6
219.11809	0.9
221.09573	0.7
223.11263	0.7
226.12379	0.6
229.10210	0.8
230.11827	0.4
232.08755	0.7
233.09633	0.7
234.10445	0.7
234.12686	0.6
235.11229	1.6
244.11272	0.4
245.09764	0.7
245.11961	0.4
247.11130	0.7
249.12816	0.9
250.12494	0.6
253.12163	0.4
260.14471	0.4
266.15204	0.4
277.12262	1.0
279.13879	0.5
281.11539	0.4
288.13895	0.6
294.15012	0.4
308.16040	0.4
309.14877	0.4
312.12372	0.7
320.16470	0.7
325.87543	0.4
326.17386	0.5
338.17441	0.6
345.89279	0.4
352.19086	0.8
434.25464	0.7
442.20087	1.0
448.21042	0.6
450.22818	0.7
460.20990	0.9
462.23907	0.5
463.21558	0.4
474.22821	1.9
476.26544	0.5
480.24121	1.9
492.23825	4.8
494.27368	1.7
496.27124	0.4
506.25336	6.7
507.25919	0.4
524.26379	8.0
525.26483	0.4
538.27838	1.5
556.28986	16.1
557.29553	0.9
566.27631	0.7
616.31097	100.0
617.31537	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	616.3105
Annotation	Hypaconitine
Peak:m/z	Relative Intensity
51.02364	0.7
51.80635	0.5
53.03927	1.0
55.01859	0.7
56.05003	0.5
56.69581	0.5
58.06586	1.6
70.52144	1.0
71.04955	0.6
74.06068	0.6
77.03915	1.3
79.05478	1.0
83.65035	0.5
84.08115	1.4
84.13197	0.5
85.02917	0.6
88.07626	2.5
91.05463	2.7
94.06542	3.1
95.04957	6.4
96.08114	0.7
105.03376	46.8
105.04514	2.5
105.06999	0.7
107.04942	0.7
107.74373	0.6
108.08096	2.2
110.09662	1.1
115.05443	0.9
117.07014	1.1
119.04977	0.6
120.08075	0.9
121.06488	0.7
128.06227	1.3
129.07019	1.3
131.08556	1.5
132.08141	0.6
134.43401	0.5
138.09087	1.3
140.10698	1.5
141.06976	0.9
143.08591	0.9
146.03621	0.7
146.09627	0.7
147.04416	2.8
148.07533	0.9
158.09637	1.1
160.07550	1.4
164.10776	1.1
165.06952	0.7
167.08490	1.0
170.09607	0.6
171.08023	0.6
172.11150	1.3
174.05460	0.6
178.12338	1.0
179.08646	1.1
184.11272	0.5
186.12827	1.1
187.59590	0.6
191.08598	1.0
192.09290	0.8
193.10074	0.9
203.08687	0.6
205.10165	0.7
206.15382	1.2
207.11736	0.6
219.11673	0.7
221.09752	0.6
235.07458	0.7
235.11246	1.2
263.10562	2.6
278.15369	0.6
282.14890	1.2
295.13354	1.0
306.14929	0.7
310.18109	2.2
314.20956	0.9
338.17444	20.4
339.17715	1.0
342.20538	5.3
374.23441	1.3
376.09555	0.6
432.21985	1.0
448.44348	0.6
460.21167	1.4
464.25085	4.3
468.01523	0.6
492.23688	5.7
496.27676	2.8
524.26385	13.9
525.26721	0.8
556.28961	16.9
557.29376	1.2
584.28497	2.1
594.01233	0.7
616.31049	100.0
617.31415	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	616.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01868	0.4
56.05013	0.9
58.06593	11.6
65.03948	0.7
67.05500	1.0
69.03418	0.6
69.07072	0.6
71.05006	0.7
72.08150	0.5
75.04488	1.3
77.03934	0.6
79.05483	4.7
79.40136	0.4
80.05008	0.5
81.03419	0.7
81.07062	1.3
82.06593	0.8
84.08154	1.3
85.02892	3.3
85.06532	1.0
86.06035	0.6
88.07641	0.8
91.05465	3.5
92.55537	0.5
93.03399	0.8
93.07071	0.8
94.06615	0.6
95.04958	3.5
96.08158	0.6
97.06530	0.7
98.09676	0.5
99.08053	0.5
101.06040	0.7
104.66040	0.5
105.03382	12.3
105.04549	1.1
105.07055	1.7
106.02948	0.4
106.03727	0.7
107.04943	14.5
107.07314	0.5
107.08609	0.8
108.08124	2.5
109.02897	0.8
109.06516	0.8
111.08093	2.3
112.07635	0.6
112.08412	1.2
114.09184	1.0
115.05434	0.7
116.10777	0.5
117.06992	2.3
119.08627	0.9
121.02883	1.2
121.06541	1.5
121.08910	0.8
122.09690	1.3
125.06011	0.8
128.06247	1.4
128.10730	0.5
129.07013	3.9
131.08521	2.2
133.06549	0.7
134.09673	0.9
135.04439	0.8
135.10474	0.5
136.07614	0.4
137.06058	1.2
138.09143	3.2
138.10094	0.4
140.10710	1.3
141.06996	2.8
141.09077	0.7
143.08577	0.9
145.06514	0.9
145.10173	0.5
146.09683	1.0
147.04428	0.5
147.08051	0.8
147.10410	0.5
149.08386	0.5
150.09129	2.1
153.07016	1.1
155.08633	1.2
157.06549	0.9
158.09682	1.2
159.08092	1.2
160.11304	1.4
161.09659	0.9
164.10712	1.1
165.07068	1.0
166.07748	0.6
167.07262	0.7
167.08618	1.2
169.06537	1.0
169.10144	0.7
171.08086	1.1
172.11179	4.3
174.09204	0.5
174.12837	1.4
176.10745	0.8
178.07835	1.0
179.08577	1.4
181.10173	0.8
184.11307	1.5
185.09703	0.5
186.09187	0.6
186.12845	1.0
188.10820	0.6
191.08640	1.7
192.09335	0.5
193.10208	1.6
195.08124	0.8
196.11235	1.1
198.12878	0.4
200.10809	1.4
202.07860	0.9
202.12230	2.0
203.08618	1.4
204.09381	0.8
204.13913	1.5
205.10237	1.7
207.11749	1.0
209.09651	0.7
212.10812	0.6
214.12337	0.8
215.08656	0.5
217.10289	1.3
219.08089	0.7
221.09686	1.0
223.11201	0.8
225.09346	0.6
228.13988	1.6
233.09647	0.8
235.11200	1.2
247.11278	0.6
252.13766	0.4
265.12570	0.5
269.21106	0.7
270.14978	0.5
287.05698	1.4
294.14978	0.8
320.16461	1.0
338.17609	1.0
340.21371	1.0
352.19083	0.8
370.20346	1.1
412.21191	1.0
430.22235	2.0
444.23920	0.7
462.24814	13.1
463.25095	0.9
466.22742	0.6
468.20209	0.8
476.26465	0.8
494.27597	2.8
502.26633	0.4
556.25989	2.3
584.28522	2.6
616.31134	100.0
617.31427	7.5
625.25122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3121
Annotation	Hypaconitine
Peak:m/z	Relative Intensity
51.02370	1.3
51.83422	0.6
53.03933	1.9
53.99152	0.5
55.01863	0.9
55.05484	0.6
56.05026	2.4
58.06593	7.7
60.04502	0.5
65.57677	0.5
67.05487	1.4
69.03407	1.4
69.07074	0.8
71.04966	1.7
72.08145	0.7
75.04468	1.6
77.03915	1.9
79.05476	3.3
80.04996	1.4
81.03421	1.1
81.07034	1.7
82.06575	0.6
83.04979	0.6
84.08131	1.1
85.02902	3.2
91.05477	3.9
93.07035	1.1
94.06567	0.9
95.04949	10.8
95.08595	1.2
97.02875	1.1
97.06477	0.8
101.06017	0.8
102.09203	0.7
103.05443	1.0
105.03381	51.3
105.04404	3.9
105.07010	2.0
107.04937	2.3
108.08096	6.2
109.02878	1.6
109.06516	1.9
109.10166	0.5
111.08054	1.4
112.07571	0.8
115.05441	1.7
117.07005	2.1
119.04932	0.7
119.08600	0.9
120.08116	0.7
121.02821	0.5
121.06490	1.1
121.08868	1.0
121.10183	0.6
122.09655	4.1
123.04430	4.2
124.07568	0.6
125.05981	0.7
127.03907	1.3
128.06223	2.1
129.07027	3.5
131.04921	2.1
131.08572	2.4
132.08063	0.6
133.06476	0.6
133.10077	1.2
135.04352	0.6
135.08015	1.1
137.05927	1.3
138.09131	0.9
141.06960	2.0
143.08485	2.6
144.08015	1.0
145.06496	1.2
145.10060	1.1
147.08061	0.9
149.05865	0.8
151.07512	0.6
153.06970	1.3
153.47131	0.5
155.08571	1.6
156.08078	0.7
157.06461	1.0
157.08844	3.1
157.10025	1.0
158.09621	2.2
159.08037	1.3
160.11220	1.3
162.09058	0.7
164.10641	1.3
165.06963	1.4
167.08553	1.7
169.06532	0.6
171.07990	1.5
172.11162	1.5
173.08336	0.8
174.09138	2.1
175.07573	0.6
176.10722	0.7
177.05437	1.1
178.07735	1.1
179.08440	2.6
181.06400	0.6
181.10173	1.2
184.11131	1.1
186.12733	1.6
188.14352	0.7
190.07805	0.8
191.08559	1.4
192.09404	0.7
193.10083	1.2
195.07985	0.7
195.11690	0.7
198.12863	0.7
202.07756	1.2
203.08578	1.5
204.09377	0.7
205.10092	2.0
207.11711	1.3
207.74327	0.6
210.12769	0.7
214.11987	0.8
216.09497	0.7
217.10086	1.3
219.08115	0.5
219.11711	1.1
220.11197	0.7
221.09630	1.0
222.12735	1.0
223.11143	0.6
229.10114	0.6
231.08345	0.5
233.09718	0.9
235.11142	1.3
242.11754	1.0
247.11050	0.9
249.12845	0.8
250.12335	0.6
263.10635	0.8
279.13635	0.6
282.14731	0.6
296.16028	0.6
351.24469	0.5
354.17169	0.7
363.39899	0.6
366.19324	0.5
372.18039	1.2
383.57248	0.6
448.20859	0.7
458.96658	0.7
462.25082	2.4
492.23642	1.2
494.21143	2.5
506.25018	2.3
524.26935	3.4
542.81635	0.6
552.25983	2.5
556.29187	8.1
566.27374	0.8
584.28375	5.6
585.28925	0.7
598.26520	1.6
616.31793	100.0
617.30835	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.3
55.01861	6.9
57.03421	3.5
58.06593	5.2
61.02902	3.7
67.05496	2.9
69.03420	28.7
70.18159	4.3
71.04975	5.5
73.02898	3.0
75.04468	4.0
79.05488	2.1
81.03402	21.3
81.07003	3.2
83.67651	2.4
85.02396	5.2
85.02893	74.5
85.28703	2.5
87.00822	46.3
91.05476	5.3
94.06579	2.5
95.04981	4.7
95.08610	4.1
96.37239	2.3
97.02885	27.6
98.22850	2.8
99.04420	8.0
105.01860	89.1
105.03361	30.8
105.07001	4.8
107.08596	4.4
109.02876	34.0
109.10123	3.5
111.04443	3.9
117.07000	2.6
117.95745	2.2
121.10149	2.6
125.34647	2.5
127.03902	71.5
130.60928	2.3
133.10071	2.9
140.10672	2.5
145.04939	32.4
147.02834	3.0
147.11644	2.8
159.02802	5.6
159.11742	3.3
169.05003	11.9
169.06258	2.7
171.93562	2.3
206.15573	2.7
231.04904	20.0
249.05948	16.2
255.21057	7.9
283.20578	3.4
291.00888	2.6
298.95233	2.5
315.23096	5.4
333.24158	44.0
334.24564	3.6
338.17413	10.1
376.40976	2.6
496.26810	2.9
524.26227	8.5
528.02277	2.5
556.28870	10.5
563.28192	3.7
616.31342	100.0
617.32532	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.01869	0.5
56.05025	0.6
57.03419	1.2
58.06592	11.9
59.04993	0.6
61.02932	2.8
67.05502	0.8
69.03429	6.1
69.20325	0.4
69.85397	1.3
69.85738	0.5
71.01350	0.6
71.04987	1.8
72.08138	1.5
73.02907	1.7
75.04465	0.6
79.05471	1.0
80.05001	0.5
81.03421	2.6
84.08128	0.9
85.02895	7.5
87.04422	1.0
91.03969	0.6
91.05476	2.4
93.07024	1.0
95.04957	0.7
96.08106	2.8
97.02885	3.0
98.09694	0.6
98.23399	0.7
99.04448	0.7
105.07029	1.6
107.04932	1.0
108.08116	3.0
109.02905	1.4
109.06527	0.7
110.09676	0.8
112.99954	0.5
115.05468	0.8
117.07024	1.2
119.04939	0.9
119.08568	0.6
121.06513	0.9
122.09679	1.1
123.04447	0.8
123.08047	0.5
126.09168	0.6
127.03919	1.0
128.06238	0.6
129.07010	2.0
131.08600	0.9
133.06456	0.8
135.08041	0.9
137.05994	1.1
138.09163	0.8
141.06998	1.2
143.08556	1.1
145.06503	1.3
146.09631	0.8
147.08090	0.8
152.10684	0.9
153.07071	0.5
155.08534	1.7
158.09642	1.2
159.08096	1.0
160.11203	0.7
165.06987	0.6
166.04939	0.5
166.07829	0.6
167.08646	1.5
169.06500	0.6
169.10176	0.8
171.08026	0.7
173.09578	0.8
174.12787	0.5
178.07787	0.8
179.08583	1.3
179.42120	0.4
181.10161	1.1
183.08124	0.6
184.11258	1.7
185.09555	0.5
186.12836	1.0
190.07838	0.6
190.12350	0.4
193.10130	1.1
195.08064	0.6
195.11696	0.6
197.09560	0.8
199.11377	0.6
199.49557	0.4
202.12245	0.7
204.09338	0.9
205.10135	1.0
207.11571	0.7
209.09677	1.3
210.12831	0.6
211.11224	0.6
212.14377	0.6
219.11703	1.0
221.09685	0.7
223.11133	0.6
235.11101	0.7
237.12842	1.1
249.12743	0.7
265.12231	0.8
276.17676	0.5
297.15067	0.5
304.17044	0.9
310.18140	0.8
312.19528	0.6
322.18054	0.7
324.19370	0.5
326.21030	0.7
336.19571	0.8
340.19183	1.1
342.20792	0.6
354.20535	2.0
360.21512	1.1
368.22281	1.0
372.21725	2.4
385.16043	0.5
386.23239	4.2
390.22974	0.6
404.24298	5.9
418.26056	2.2
422.25287	2.9
436.27066	3.5
462.98782	0.5
537.19806	0.5
562.63739	0.5
566.29370	1.6
584.30737	1.4
598.32172	12.2
616.33185	100.0
617.33514	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	616.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.1
57.07069	28.1
59.04982	1.1
64.84278	0.9
67.05479	4.2
69.03419	1.5
69.07048	3.3
71.08266	1.8
71.08626	27.4
72.16505	1.0
73.06547	9.2
79.05470	5.1
80.05811	1.0
81.07036	6.0
83.04953	1.4
83.08590	5.0
85.09689	1.7
85.10172	23.8
86.28808	0.9
87.04453	8.9
89.06021	100.0
89.26337	0.9
90.06380	1.1
91.05460	4.7
93.07023	8.8
95.04944	4.7
95.08583	3.2
97.06472	1.6
97.10149	1.8
99.11703	2.5
105.03390	1.9
105.07028	8.3
107.07047	3.6
107.08560	6.6
107.66773	1.0
109.06520	2.2
109.10120	3.1
111.08017	1.4
117.07043	1.6
117.09112	9.0
119.08595	5.9
119.09300	1.1
121.06492	1.6
121.10123	7.0
121.10845	1.1
122.10393	1.4
123.08056	2.5
125.09583	1.4
130.08653	2.1
131.07050	2.7
131.08545	2.9
133.08594	49.3
133.10132	3.8
135.08072	1.5
135.11681	2.2
141.16359	4.6
142.07747	1.2
143.08554	2.0
145.10043	4.1
147.08023	2.6
147.11647	1.2
149.09633	2.5
151.07497	2.7
153.09081	1.4
153.23933	1.0
155.08321	1.1
157.10120	3.7
159.08083	1.5
159.11658	2.8
161.09637	2.4
161.11682	2.9
163.11099	1.7
165.09103	2.8
167.08537	1.3
167.10672	6.4
168.10989	1.3
169.10054	1.7
171.11633	1.8
173.13216	2.1
175.09680	2.1
177.11194	20.7
181.10045	1.8
181.12286	2.1
185.13200	1.3
185.18970	5.9
193.10144	1.0
195.11699	1.3
197.13182	1.3
200.80547	1.0
207.13683	1.4
211.83601	1.2
221.13655	3.1
221.15585	5.2
222.15720	1.8
229.21664	7.8
239.14696	1.6
273.24197	4.7
282.56503	1.1
455.19525	1.3
459.27695	2.1
557.15814	1.2
598.40179	1.8
599.42804	2.5
616.17200	3.1
616.30542	6.8
616.41858	5.3
617.36145	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	617.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
52.26742	0.4
53.03935	4.1
57.03410	0.4
61.02907	0.7
69.31281	1.0
69.31683	0.9
71.04964	0.4
78.42762	0.4
81.03406	21.0
82.03750	0.5
85.02875	0.7
94.06561	0.4
95.04956	0.8
97.02888	10.7
99.04458	1.6
105.03379	4.6
109.02863	100.0
110.03196	1.0
115.36971	0.3
127.03896	31.7
139.03889	4.5
149.26411	0.4
167.08606	0.4
169.04939	24.0
179.08479	0.4
195.04065	0.4
211.05975	1.1
287.05359	1.1
338.17627	1.0
339.18042	0.7
358.75735	0.4
463.08362	0.4
481.69284	0.4
525.27008	0.6
556.28967	0.9
557.29144	0.5
616.31512	5.6
617.31470	5.1
634.15430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03936	4.2
57.07076	0.9
58.06567	0.5
61.02911	1.2
67.05484	1.1
71.04980	1.3
71.44617	0.6
79.05479	1.0
81.03403	26.1
81.07056	0.9
83.71730	0.5
85.02911	1.4
91.05463	0.9
95.04960	2.1
97.02876	10.2
99.04462	3.2
105.03380	5.6
105.07018	0.8
106.03722	1.1
109.02859	100.0
110.03188	1.1
121.02823	0.6
127.03893	91.3
128.04236	1.5
139.03883	5.6
169.04932	50.4
211.06007	2.3
229.07039	1.2
229.83723	0.6
283.88904	0.6
286.00693	0.6
287.05533	1.2
296.53510	0.5
299.05444	0.7
314.60229	0.6
331.10141	2.1
338.17172	1.5
339.17755	0.6
349.06863	0.6
395.07092	0.7
469.39240	0.6
524.26361	1.1
525.26794	0.9
528.28448	0.8
531.50092	0.6
556.28577	1.6
557.28778	1.3
616.31946	13.0
617.31744	9.8
618.28894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3652
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
55.05512	3.1
57.03415	1.6
57.07047	0.5
62.48581	0.5
64.66298	0.5
67.05490	3.9
69.03436	0.7
69.07050	1.2
79.05482	3.3
81.03412	1.8
81.07038	4.8
83.04975	1.5
83.08604	2.0
85.02895	1.9
85.06528	0.9
89.60754	0.5
91.05477	5.0
93.07042	4.2
95.04965	2.9
95.08588	3.1
97.06499	0.8
105.07021	4.1
107.08581	2.8
109.06497	1.5
109.10169	1.5
117.07004	1.1
119.08588	2.9
121.06453	0.7
121.10122	3.2
123.08049	1.7
129.07053	0.7
131.08586	1.7
133.10149	2.0
135.08028	0.8
135.11627	1.4
137.09592	0.7
139.11179	0.6
142.07814	0.6
143.08595	1.5
145.10126	2.1
147.08054	1.0
147.11662	1.5
149.09573	0.9
151.07523	1.3
153.54367	0.6
157.10139	1.6
159.11720	1.1
161.09601	0.7
163.11169	1.2
165.09151	1.0
165.12817	0.8
167.10678	1.4
169.10162	0.9
171.11696	0.9
175.11182	1.0
181.12231	1.2
183.11761	0.8
185.13177	0.8
197.13152	0.8
203.14291	0.6
204.09595	0.7
221.15388	2.7
239.18106	0.7
251.12550	1.9
283.01886	1.6
291.19406	0.7
307.15182	1.9
333.20248	7.9
359.95569	0.7
389.22949	6.3
599.40289	1.0
617.36438	100.0
618.37042	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	617.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01865	10.5
55.05503	52.4
57.03431	13.3
57.07059	5.3
65.03926	6.8
67.05495	87.8
69.03419	5.9
69.07060	22.4
69.88112	1.8
69.90259	3.0
69.90578	3.8
71.04978	6.3
71.08610	1.9
77.03900	2.3
79.05482	93.8
81.03402	7.3
81.07046	69.1
82.07382	2.7
83.04958	16.2
83.08605	32.7
85.02892	5.6
85.06539	3.2
87.04453	5.4
90.03127	1.7
91.05469	53.2
93.07031	97.5
94.07368	2.2
95.04957	87.8
95.08015	3.7
95.08594	50.3
95.09193	3.2
97.06545	9.7
97.10157	20.0
98.23338	2.4
99.04448	5.8
99.08064	3.1
105.03361	1.7
105.04508	6.7
105.07015	49.0
107.04952	11.0
107.08577	55.5
109.06505	14.5
109.10134	24.3
111.04437	18.3
111.08046	7.5
113.06015	1.9
115.05403	1.7
117.07008	15.5
118.89044	2.0
119.08572	37.3
121.06491	10.5
121.10123	53.7
123.08036	11.3
123.11684	6.9
125.05998	3.9
125.09609	20.7
128.06177	2.5
129.06970	6.6
131.08548	28.9
133.06491	2.8
133.10117	30.2
134.93932	1.8
135.08061	8.5
135.11676	25.4
137.09583	3.6
137.13289	2.2
139.11159	2.0
141.06970	2.5
142.07697	2.5
143.08528	7.9
145.10107	31.9
147.08038	7.7
147.11679	13.0
149.09602	32.0
149.13229	9.9
151.07521	7.1
151.11223	2.5
153.09061	2.8
153.12781	2.8
155.08498	1.8
156.09201	2.3
157.10085	12.7
159.08060	4.0
159.11681	16.3
161.09587	4.2
161.13239	6.8
163.11154	26.5
165.09106	7.8
165.12709	2.2
167.08505	2.2
167.10611	8.9
169.10139	6.1
171.11722	4.0
173.09601	3.7
173.11787	3.3
173.13255	9.0
175.11169	3.7
176.59299	1.6
177.12613	4.5
178.84138	1.7
179.10672	2.1
181.12228	5.2
183.11638	3.9
187.11189	4.3
187.14807	4.3
189.11195	17.8
189.12663	3.1
195.11707	3.3
197.13234	3.3
203.14330	3.3
205.12221	6.0
205.19533	2.4
207.13823	4.3
211.14828	2.4
215.14348	2.4
215.17953	14.7
221.15344	8.3
223.13242	53.3
227.12834	4.4
229.15964	2.1
229.19429	2.2
233.15353	4.5
233.18933	11.7
239.17984	3.8
257.18893	10.1
273.18497	2.5
275.20047	58.6
285.05991	2.3
286.19064	3.0
293.21042	42.4
294.21350	2.7
307.22638	100.0
349.23697	6.5
367.24808	27.8
507.38016	2.6
517.94080	1.9
581.41528	4.4
599.42920	34.9
600.43036	2.7
617.42059	11.0
618.29437	3.3
618.40674	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
57.03417	1.1
65.03941	2.5
67.05492	1.3
69.07047	1.6
69.73861	1.6
69.74216	3.6
72.51613	1.1
75.04438	2.3
77.03934	1.2
79.05473	6.4
81.03389	1.7
85.02884	5.3
86.06051	3.6
91.05463	9.1
93.03374	4.3
93.07032	3.6
95.04939	4.8
97.02862	3.0
97.06521	2.9
103.05454	6.5
105.03362	1.4
105.07010	24.7
106.04155	7.4
107.04962	7.7
109.02853	1.5
109.06494	2.4
115.05402	1.5
116.10719	3.0
118.04165	7.4
119.04910	3.8
119.08473	1.2
120.05694	1.7
121.02856	15.3
121.03706	1.9
121.06513	9.8
123.04440	1.7
123.08038	2.3
124.05222	1.7
125.06001	2.6
127.03902	1.7
131.04890	3.0
133.06485	21.5
135.04385	3.9
135.08020	4.7
137.05197	1.0
137.05986	10.2
139.07516	1.2
142.08623	1.6
144.01973	1.2
145.04948	1.8
146.03682	1.3
148.05194	1.4
149.05965	17.5
150.06740	13.1
151.07512	6.5
153.09067	5.0
161.05943	7.3
163.03864	2.0
163.07518	3.6
165.09090	14.5
167.07019	16.2
175.15979	1.3
177.05482	8.3
178.06296	2.8
179.07008	1.7
181.08569	9.2
191.10690	2.1
193.08578	65.6
195.10118	2.7
197.11720	2.2
209.08054	56.8
211.09618	100.0
212.09930	1.9
212.16397	3.8
213.00058	1.4
292.11551	1.3
342.22751	2.8
374.21622	4.0
374.53119	1.3
391.17517	1.7
424.05246	1.7
468.19983	1.7
496.19431	2.5
540.21875	1.4
558.23102	1.8
618.25195	16.5
618.34119	2.0
619.25214	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	618.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.2
53.03928	1.6
58.06592	2.1
61.02891	0.4
65.47297	0.5
67.05479	0.9
69.15040	1.2
69.15438	1.2
74.06057	0.7
77.03913	1.7
79.05454	0.7
82.06557	0.4
85.02894	0.8
91.05455	1.8
93.07006	0.6
94.06552	1.0
95.04956	7.1
96.08136	0.5
98.06049	0.4
100.53584	0.3
103.05320	0.3
105.03375	49.0
105.04389	3.0
105.07034	1.2
106.03696	1.0
107.04922	1.1
108.08107	1.0
109.06494	0.9
112.07620	0.4
115.05405	0.7
117.06990	2.0
120.08129	0.7
121.06474	0.4
123.04412	0.4
124.07587	2.1
126.09136	0.7
127.07514	0.6
128.06187	0.4
129.06960	1.8
131.08557	0.8
132.08081	0.5
133.02847	0.5
133.06473	0.6
134.09602	0.9
136.07553	0.6
137.05981	0.4
138.09106	0.4
141.06961	0.9
144.08057	0.5
145.06480	0.5
146.09593	0.7
147.04404	0.7
148.07536	0.6
150.09088	0.9
153.07007	0.6
155.08554	0.9
158.09631	0.8
159.08025	0.6
160.07570	2.1
161.06026	0.4
162.09076	0.6
165.06915	0.5
166.07809	0.4
167.08510	0.9
170.09700	0.6
171.08075	1.0
173.05940	0.5
174.05469	0.7
179.08478	0.9
181.06476	0.4
181.10094	0.7
187.07576	0.4
190.07773	0.6
190.12256	2.0
191.08588	0.9
193.10132	0.7
195.08040	0.5
197.06053	0.5
198.09216	0.4
200.10678	0.4
202.12224	0.5
203.08508	0.7
205.10152	1.0
209.09604	0.6
218.07114	0.5
221.09641	0.6
223.07503	0.6
223.11261	0.4
224.10777	0.4
225.08951	0.4
233.09534	1.0
235.11232	0.7
236.08359	0.4
237.09108	0.5
248.10513	0.5
253.08528	0.4
261.09039	0.5
263.10721	0.5
264.13779	0.4
276.13998	0.4
292.13489	0.4
293.11804	0.5
312.16092	0.5
322.14392	0.8
326.17355	1.1
340.15347	8.1
340.19180	0.5
344.18643	1.0
354.17035	1.4
358.20074	0.7
376.21255	2.1
386.19727	0.5
448.21207	1.4
450.19473	0.5
464.20679	0.4
466.22263	1.2
468.20172	0.5
476.21313	0.8
480.23813	1.9
482.22238	0.6
494.21524	0.7
498.24899	3.9
508.23306	2.3
526.24457	3.3
527.24390	0.4
540.25494	2.1
541.25720	0.4
558.26849	14.6
559.27203	0.5
600.27710	0.4
618.29010	100.0
619.29376	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
51.57844	0.4
51.92410	0.4
53.03929	1.6
58.06583	0.6
59.39830	0.4
59.70654	0.4
61.58519	0.4
63.20387	0.4
73.34873	0.4
77.03925	2.2
79.05499	0.9
85.02906	1.2
91.05480	1.4
91.18671	0.5
94.06562	1.1
95.04957	9.5
96.08144	0.8
102.03210	0.5
105.03378	60.7
105.04522	2.9
105.07023	0.9
106.03710	1.0
107.07364	0.5
108.08125	1.6
109.06519	0.6
112.07650	0.4
115.05465	0.9
117.07001	1.4
119.04993	0.5
120.08076	0.6
121.06506	0.6
129.07010	0.9
132.08092	0.5
134.09668	0.9
137.05940	0.6
138.09140	1.0
141.06975	0.9
144.08089	0.9
145.06474	0.8
148.07552	0.6
153.06889	0.4
155.08549	0.7
159.08078	0.5
160.07585	1.5
161.05928	0.6
164.10747	1.0
165.05544	1.1
165.07034	1.3
167.08514	0.7
169.06450	0.9
170.09695	0.5
171.04320	0.4
172.11279	0.8
176.49023	0.5
178.07816	0.9
179.08522	1.0
181.06412	0.5
185.05981	0.6
191.08568	0.9
193.09944	0.5
194.09610	0.5
195.08125	0.9
197.09579	0.5
202.07652	0.6
203.08575	0.8
204.13893	1.3
205.10178	1.7
207.08063	0.7
211.07652	0.6
217.10136	0.8
218.07127	0.6
219.08217	0.8
221.09427	0.6
225.64896	0.5
233.09618	1.6
235.11209	0.8
251.10590	0.5
261.09088	0.8
263.10910	0.7
265.12033	0.6
292.13351	0.6
336.16052	0.6
340.19312	0.7
354.16940	3.6
358.20010	0.9
376.21249	1.0
422.19345	0.7
450.19086	0.9
458.19815	0.6
462.23129	1.1
464.20898	0.6
466.22391	1.4
476.21198	0.5
490.21811	0.8
498.24713	2.2
508.23544	2.4
522.24713	1.6
526.24658	1.1
540.25970	2.4
558.26855	12.7
559.26996	0.7
582.27130	1.4
600.28271	0.7
618.28992	100.0
619.29321	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	618.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.5
51.02377	1.1
52.38275	0.5
53.03942	1.8
55.01859	0.5
55.05486	0.7
56.05021	1.1
58.06590	15.5
59.06957	0.4
60.04514	0.5
60.08149	0.7
61.02921	0.6
62.06073	1.3
64.70290	0.4
65.03949	0.4
67.05492	1.4
69.03417	1.6
69.07055	1.4
69.17369	1.2
69.17791	1.2
70.06573	1.1
71.04977	1.1
72.08132	1.0
73.42471	0.3
75.79731	0.3
77.03915	1.5
79.05474	2.7
80.05012	0.5
81.03403	1.5
81.07034	1.1
82.06570	0.4
84.08135	0.9
85.02895	4.3
86.06049	2.5
87.04449	0.6
91.05444	2.9
93.07027	0.9
94.06544	0.5
95.04956	10.3
95.08582	0.6
96.08118	1.6
97.02878	1.8
97.06511	0.9
98.06062	0.6
98.09688	1.2
99.04414	0.4
104.10737	1.2
105.03378	65.1
105.04397	4.3
105.07028	1.6
106.03683	1.0
107.04940	1.4
107.08588	0.9
108.07441	0.4
108.08075	2.0
109.02859	0.5
109.06503	1.4
110.09653	1.1
111.04444	0.8
111.08058	0.4
112.07586	1.1
114.09138	0.4
115.03945	0.5
115.05408	1.0
116.10693	2.3
117.07000	1.1
119.04923	0.8
119.08547	0.9
121.02846	1.7
121.06505	0.8
121.10153	0.4
122.09668	0.9
122.86324	0.4
123.04412	0.8
123.08044	0.4
124.07584	0.9
125.02341	1.2
126.09215	0.4
127.03914	0.6
128.06187	0.7
129.06956	1.9
131.08534	1.1
132.08083	0.5
134.09633	0.7
136.07538	0.6
137.05978	1.1
138.09140	0.7
139.03938	0.5
140.07060	0.4
140.10684	1.4
141.06987	1.3
142.08621	1.3
143.08548	1.3
144.05681	0.5
145.06468	2.7
145.10106	1.3
147.08002	0.8
148.31369	0.4
149.09621	0.6
153.06993	0.8
155.08521	1.3
157.06453	0.6
158.09656	0.4
158.11737	4.2
159.08012	0.9
160.05225	0.5
160.11243	0.4
161.06004	0.4
163.07574	0.4
163.11116	0.6
165.07028	1.4
166.07700	0.5
167.08546	0.8
167.53087	0.4
169.06456	0.9
171.08075	1.2
172.11174	0.5
173.09656	0.5
177.05501	0.6
178.07719	0.5
179.08536	1.0
181.06419	0.7
181.10153	0.5
183.08060	1.2
185.06183	0.5
185.09586	0.6
186.12686	0.4
187.07590	0.4
190.07756	0.7
191.08546	0.8
191.10506	0.5
193.10143	0.6
195.08066	1.0
196.11148	0.6
197.09532	0.5
199.07474	0.5
203.08574	0.8
205.10126	0.9
207.08028	0.7
207.11700	0.6
209.09605	0.8
212.16402	2.2
217.10249	0.4
221.09685	0.7
223.11206	0.9
225.09122	0.7
230.17514	0.7
233.09648	1.3
235.11128	0.7
249.09013	0.9
251.10744	0.8
254.17780	0.4
261.09012	0.4
270.17084	0.8
279.10147	0.5
288.18121	1.1
308.16333	0.6
320.16977	3.0
342.22772	2.3
374.21725	0.9
379.68542	0.4
482.21713	1.9
490.22079	0.6
504.28018	2.6
508.23642	1.3
522.24725	0.7
526.24036	2.0
540.25989	2.4
558.26941	3.1
568.25635	1.3
582.27173	0.8
586.26544	1.9
600.27771	6.7
618.28979	100.0
619.29340	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	618.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.05505	36.7
57.07053	12.2
65.03941	5.2
66.09895	4.8
67.05485	28.4
69.03416	17.8
69.07054	23.6
69.14390	12.4
69.14813	20.4
69.26036	4.8
69.96494	4.1
71.04975	6.9
71.08609	8.5
79.05482	41.0
81.07049	41.1
83.04973	18.5
83.08611	54.9
85.02895	6.9
85.06532	10.3
85.10188	5.9
87.04469	8.3
89.06014	26.4
91.05470	61.4
93.07043	71.4
94.07327	6.8
95.04965	35.6
95.08601	34.0
97.06514	23.2
103.05479	6.3
105.03378	13.5
105.07011	100.0
107.08585	61.5
109.06488	19.0
109.10146	20.3
113.09628	10.9
115.05466	10.2
117.06992	19.2
119.08566	72.8
120.08902	4.7
121.06474	10.4
121.10110	65.4
123.08032	24.1
123.11725	7.6
125.06018	5.3
125.09621	19.7
128.06209	14.7
129.06981	18.7
130.07718	8.7
131.08575	35.4
133.08594	11.4
133.10123	47.2
135.08034	12.3
135.11696	8.6
137.09706	6.2
139.11125	8.5
141.06961	10.9
142.07697	25.2
143.08540	53.3
144.09314	17.8
145.06488	6.4
145.10103	68.3
147.08040	14.6
147.11646	21.0
149.09569	11.5
151.07530	8.0
154.62451	5.4
155.08548	16.0
155.10648	8.7
156.09320	17.4
157.10129	54.6
158.10815	7.4
159.08055	12.2
159.11682	28.8
160.08817	10.0
161.09607	13.8
161.13187	8.7
163.11226	9.5
165.06969	11.3
165.09119	16.0
167.08481	9.5
167.10683	25.1
168.09178	6.1
169.10123	16.8
170.10863	7.4
171.11682	35.6
173.09598	10.6
173.13266	20.5
175.11186	9.3
179.08553	8.9
179.14359	5.1
180.09338	6.6
181.10106	13.9
181.12219	19.2
182.10730	9.3
183.11635	20.4
184.12367	6.2
185.09633	6.7
185.13248	16.9
186.13785	7.3
187.11140	9.0
187.14752	8.5
189.12727	6.3
191.14301	7.4
193.10123	11.5
194.10910	8.4
195.11707	19.0
196.12357	8.3
197.13199	32.7
198.13760	5.0
199.11157	6.1
199.14838	11.3
201.12737	8.4
203.14241	6.8
204.62941	5.0
207.11688	21.4
207.13583	7.0
208.12331	8.7
209.13203	27.1
210.13931	5.4
211.14839	20.0
213.12738	9.3
215.14320	14.0
219.11612	7.3
220.12541	5.8
221.13203	12.7
221.15359	32.5
222.15804	10.5
223.14812	6.5
225.14702	8.0
225.16600	7.3
233.13271	11.0
233.15286	40.1
235.14809	8.7
237.16328	8.7
249.16338	9.4
255.17384	24.9
261.16281	12.0
265.19492	5.3
285.18594	6.3
287.19864	9.6
299.20316	10.0
313.21524	7.5
337.25183	7.3
365.24667	8.0
510.76129	6.0
531.84119	4.8
600.41541	5.3
617.24786	5.5
618.28369	21.8
618.36871	20.5
618.44086	8.7
619.29248	6.8
619.37842	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
53.03950	3.5
55.01872	5.1
55.05500	46.7
57.07068	10.0
59.04998	4.8
65.03927	5.2
67.05494	32.6
69.03432	13.5
69.07057	19.0
69.60070	5.2
71.04987	8.1
77.03922	3.5
79.05478	37.6
80.06257	2.6
81.07048	46.5
83.04967	15.9
83.08610	58.6
85.06540	10.4
86.09698	4.4
87.04421	4.9
87.36361	2.1
90.82973	2.1
91.05461	62.7
93.07030	62.9
95.04955	35.9
95.08593	34.0
96.08903	2.2
97.06512	26.5
97.10181	2.3
99.04440	6.7
99.08070	2.4
103.05490	4.7
104.10729	30.0
105.03386	8.8
105.04515	5.5
105.07013	100.0
105.45437	1.9
106.07304	2.8
107.04964	8.6
107.08581	70.0
109.06492	19.7
109.10135	23.3
110.10437	2.2
111.08089	8.9
112.23148	2.4
113.09646	9.5
115.05440	6.7
116.06218	3.8
117.06997	31.9
119.08563	77.6
120.09408	2.2
121.06448	14.2
121.10120	52.3
123.08029	19.3
123.11694	6.9
125.05959	2.8
125.09637	16.1
128.06169	15.4
129.06982	24.6
130.07768	9.0
131.08545	50.6
132.09325	7.1
133.06517	4.7
133.10097	50.1
135.08057	12.6
135.11690	11.1
137.09592	7.0
139.11159	15.2
141.06978	13.5
142.07779	32.6
143.08551	48.5
143.24210	2.2
144.09306	17.2
145.06482	9.8
145.10100	71.1
145.11208	4.7
146.10777	2.9
147.08014	14.4
147.11646	25.7
148.08835	2.9
149.09592	14.7
149.13217	3.3
151.07465	4.2
151.11134	3.1
153.07011	3.5
153.12776	2.1
154.07735	7.5
155.08556	22.9
155.10585	12.4
156.09354	20.2
157.10106	72.0
158.10849	8.9
159.08051	19.4
159.11685	34.1
160.08841	12.3
161.09587	14.0
161.13203	4.7
163.11169	8.6
165.07004	8.8
165.09091	2.7
165.12801	3.5
166.07751	3.9
167.08595	12.6
167.10632	20.6
167.14340	2.9
168.09319	6.7
168.11229	2.4
169.10097	32.7
170.10849	7.9
171.08080	2.5
171.10257	3.3
171.11659	34.2
172.08885	3.7
172.12383	4.4
173.09634	12.0
173.13251	17.3
175.11166	11.8
175.14925	3.2
177.12744	2.5
179.08554	14.5
179.10654	3.1
179.14316	5.1
180.09322	8.1
181.10091	20.1
181.12239	20.3
182.10834	14.2
183.11649	28.0
184.12462	5.6
185.09590	4.4
185.13237	17.2
187.11200	8.6
187.14799	9.1
188.11870	2.0
189.12718	5.6
190.13438	3.4
190.30525	2.1
191.14291	8.4
192.09282	6.8
193.10141	15.9
194.10851	11.5
195.11682	27.9
196.12453	12.3
197.09578	3.7
197.11545	3.8
197.13240	32.4
198.13902	7.0
198.96706	3.9
199.11194	6.2
199.14734	10.7
201.12694	4.1
201.16405	4.5
203.14282	5.5
205.10072	4.8
206.10847	7.2
207.11685	17.6
207.13608	4.3
208.12402	9.5
208.14517	4.8
209.13211	24.5
210.13921	5.8
211.11180	3.4
211.14835	18.5
212.15511	3.7
213.12691	6.9
213.16400	6.8
215.14314	18.6
216.97780	3.2
217.10039	4.4
217.12097	2.5
218.10922	2.8
218.16530	2.6
219.11688	5.8
220.12486	5.6
221.13220	13.2
221.15382	27.6
222.14026	4.4
223.11275	2.4
223.14851	12.9
224.11922	2.3
225.12682	7.8
225.14839	9.3
225.16649	4.2
227.14326	6.7
228.66864	2.3
229.15894	3.9
231.11459	4.9
232.12486	3.0
232.14566	3.4
233.13184	9.0
233.15363	38.9
234.13940	4.6
234.15961	3.4
235.14771	15.0
235.16956	4.0
236.15479	3.0
237.16606	10.2
239.14311	3.2
239.17914	4.3
241.15872	2.1
241.74895	2.4
243.11707	2.3
243.17482	2.8
244.12248	2.1
245.13242	5.6
246.14006	3.2
247.14778	10.7
247.17009	7.2
248.15489	3.6
249.16425	9.9
251.14467	3.2
251.17987	6.2
253.15913	3.2
255.17404	33.9
257.13275	2.9
258.13824	2.9
259.14795	4.9
261.16367	9.0
263.17859	7.4
265.19565	5.7
267.17380	3.1
269.18961	6.8
270.19827	7.3
271.20468	4.1
273.16116	4.2
273.18680	5.1
273.54254	2.8
275.17865	6.4
277.15866	2.1
277.19485	4.5
279.17526	3.7
281.19003	4.8
282.19791	4.7
283.20459	3.8
285.18674	5.2
286.19238	4.6
287.20181	4.3
289.19339	4.5
295.20511	3.2
298.92517	2.2
299.19949	6.5
301.19202	2.6
305.18918	3.6
309.18481	2.8
309.22247	2.5
312.20853	3.1
315.20953	2.5
319.19751	2.6
331.24130	2.6
335.23633	3.3
337.20523	5.2
337.24918	5.3
347.23578	4.3
349.25241	5.0
360.24210	3.8
365.24597	7.0
367.26312	2.9
373.25433	3.1
383.25583	10.9
399.27008	3.8
417.27078	2.3
429.31366	3.7
457.30905	5.1
558.27838	3.4
582.40009	5.2
600.40985	4.1
618.21112	4.1
618.29102	7.4
618.43243	5.7
619.37872	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	618.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.9
55.01859	19.6
55.05498	63.4
64.64819	7.1
67.05502	59.8
69.07059	24.0
79.05489	53.8
80.46712	6.5
81.03397	13.1
81.07045	85.5
83.04979	15.6
83.08619	36.2
87.04469	17.4
91.05455	69.5
93.07038	45.7
95.04964	35.8
95.08603	30.2
97.06507	7.5
97.10185	19.9
100.83958	6.8
105.03393	15.5
105.07023	55.6
107.04947	27.6
107.08602	27.0
109.06509	14.5
109.10147	22.5
111.08022	12.0
111.46348	6.3
111.60753	7.0
117.07002	32.1
119.08564	45.2
121.06538	13.8
121.10146	15.7
123.08057	13.9
125.09637	21.2
129.07051	7.1
130.81902	6.0
131.08562	31.5
133.06490	7.3
133.10124	22.5
137.09607	9.4
142.54930	7.3
143.08519	8.1
145.10103	36.8
147.08060	15.5
147.11742	11.9
149.09593	18.0
159.11652	16.9
161.09579	11.2
163.11180	32.1
165.09065	11.2
171.11644	8.2
175.11212	8.9
189.11206	15.6
223.13260	14.2
257.19141	9.4
273.18469	45.1
275.20016	74.1
291.19513	100.0
293.21014	11.6
557.64417	7.4
583.39166	10.4
592.64038	7.6
619.41461	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	620.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.2
50.23855	0.2
51.02365	0.7
52.04604	0.1
53.03936	1.2
54.53198	0.1
55.01848	0.4
58.06593	0.4
65.03909	0.2
67.05473	0.2
69.32575	0.7
69.32967	0.3
70.06573	0.5
71.04973	0.2
74.06057	0.6
75.04472	0.2
77.03905	1.8
79.05464	0.5
80.96718	0.1
81.03394	0.3
82.06556	0.8
84.04481	0.2
84.08146	0.3
85.02883	0.6
85.93806	0.2
86.06044	0.3
89.48847	0.1
91.05459	0.9
93.06986	0.2
94.06556	1.4
95.04952	7.5
96.08112	0.2
98.06042	0.4
100.07586	0.2
103.05472	0.4
105.03373	49.6
105.04506	2.7
105.07008	0.7
106.03702	0.6
107.04924	0.5
107.07297	0.3
108.08078	1.7
109.06473	0.2
110.06017	0.2
111.04392	0.3
111.06764	0.2
112.07601	0.4
115.05455	0.5
117.05797	0.3
117.06993	0.8
118.06586	0.2
119.04932	0.4
119.08618	0.2
120.08087	0.6
121.02845	0.2
121.06477	0.6
123.04409	0.3
123.06867	0.2
124.07569	1.7
125.05956	0.3
126.09139	0.7
128.06213	0.3
129.06976	1.8
130.06441	0.2
131.04901	0.3
131.07336	0.2
131.08554	0.3
132.08090	1.0
133.02849	0.5
133.06444	0.5
134.09616	0.2
135.04391	0.5
135.08093	0.2
136.07547	0.2
137.05908	0.3
137.08311	0.3
138.09119	0.3
141.06995	0.5
143.08533	0.2
144.08061	0.6
145.06430	0.8
145.08835	0.4
146.06030	0.2
146.09604	1.1
147.04355	0.7
147.08026	0.3
147.74666	0.2
148.07564	0.3
149.06020	0.3
150.09140	0.5
150.45404	0.2
153.05479	0.3
153.06989	0.5
156.08052	0.2
157.06482	0.5
158.09636	0.6
159.08018	0.5
160.07562	1.4
161.05951	0.5
161.08395	0.2
162.09099	0.5
164.10672	0.3
165.05569	0.3
165.06981	0.8
166.07616	0.2
167.08521	0.8
169.06461	0.4
169.10132	0.2
170.09636	0.5
171.08047	0.5
174.09114	0.3
175.07530	0.2
176.07080	0.4
176.10692	0.2
177.05437	0.3
178.07674	1.0
179.08507	1.5
181.06459	0.5
181.10141	0.6
182.07198	0.2
182.09448	0.2
183.08092	0.4
185.05846	0.4
185.09657	0.3
186.09114	0.4
188.07091	0.4
188.10709	0.4
190.07675	0.4
191.08524	0.8
192.09334	0.2
193.06523	0.2
193.10159	1.2
194.07292	0.3
195.07991	0.9
196.11195	0.3
197.06046	0.3
197.09590	0.8
198.09006	0.2
199.07573	0.2
201.09094	0.2
202.07701	0.4
203.08531	0.8
204.10204	0.2
205.10153	0.8
206.07303	0.3
206.11720	0.5
207.08046	1.4
208.09647	0.6
208.11398	0.3
209.09659	0.6
210.12735	0.2
211.07611	0.3
211.11227	0.3
212.10648	0.3
213.09122	0.3
215.08624	0.4
216.10243	0.2
219.08057	0.6
220.08922	0.3
220.11163	0.3
221.09576	1.2
222.12697	0.2
223.07501	0.7
223.11357	0.3
224.10654	0.4
225.09044	0.6
227.07112	0.2
230.11795	0.2
231.08101	0.5
231.10382	0.2
233.09579	0.5
235.07538	1.0
235.11107	0.2
236.10669	0.2
237.09091	0.7
238.09918	0.2
238.12244	0.5
239.10614	0.6
241.08591	0.2
242.11806	0.2
247.07585	0.3
248.08237	0.3
248.10684	0.2
249.09100	1.4
249.11353	0.2
250.09618	0.2
250.12309	0.4
251.07051	0.2
251.10683	0.5
252.10115	0.2
253.08574	0.7
254.11739	0.3
255.10146	0.2
256.13623	0.2
259.07333	0.2
261.08957	0.4
262.12292	0.3
263.10526	0.3
265.08615	0.3
265.91742	0.2
266.11734	0.4
267.10129	0.7
268.13135	0.3
274.12277	0.3
277.08597	0.5
278.11746	0.4
279.10019	0.4
280.13440	0.4
281.11639	0.4
284.12701	0.3
291.10065	0.2
292.13278	0.4
294.11563	0.3
296.12933	0.3
297.98273	0.2
298.14325	0.4
300.16061	0.2
300.96487	0.2
309.10818	0.4
310.14288	0.8
312.15784	0.2
314.13651	0.2
316.15594	0.2
320.12701	0.4
328.15375	0.7
338.13705	0.8
342.17023	0.6
352.15298	0.3
356.14856	3.6
360.18048	0.6
370.16519	0.5
372.18127	0.2
388.17395	0.3
402.18970	0.6
418.17798	0.2
420.18225	0.2
432.18146	0.3
448.17300	0.3
450.18903	0.3
460.17490	0.3
464.20657	1.1
474.18765	0.2
478.18726	0.3
480.19916	0.4
482.21536	1.0
492.19901	0.9
500.22754	1.6
510.21213	0.8
524.22620	3.0
542.23615	2.8
543.24341	0.2
560.24750	8.2
561.25055	0.4
584.24542	1.1
602.25958	0.9
620.26868	100.0
621.27222	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	620.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.7
53.03944	1.6
58.06589	0.6
70.06584	1.0
70.50148	0.6
74.06053	0.5
77.03938	1.3
79.05500	0.5
81.57078	0.4
85.02910	0.8
91.05480	0.9
93.07047	0.6
94.06555	1.3
95.04961	6.2
95.05516	0.5
98.06179	0.3
105.03380	44.7
105.04536	2.1
105.07017	0.8
106.03745	0.7
106.05853	0.4
108.08141	1.5
113.11537	0.4
116.10769	0.4
117.07001	0.6
121.06567	0.5
122.95308	0.4
123.04495	0.5
124.07613	1.6
126.09150	0.4
129.06985	0.9
131.07295	0.5
132.08116	0.7
133.02843	0.4
133.06491	0.8
135.04468	0.6
136.07578	0.4
144.08124	1.0
145.06529	0.7
146.09679	0.6
147.04433	0.6
150.09166	0.8
157.06606	0.4
158.09669	0.9
160.04359	0.4
160.07643	1.0
162.09160	0.6
164.10649	0.5
165.06987	0.7
167.08553	0.7
169.06538	0.6
170.09636	0.6
174.09135	0.4
176.06989	0.5
178.07813	1.1
179.08604	1.3
186.09259	0.5
188.10612	0.5
191.08539	0.9
193.10170	1.1
195.08025	0.9
197.09715	0.8
203.08534	1.1
205.10147	0.8
207.08134	1.2
209.09702	0.6
219.08151	0.8
221.09613	1.3
223.07602	0.7
223.11217	0.5
224.10664	0.4
225.09174	0.9
225.11192	0.5
235.07472	1.0
237.09155	0.5
238.12378	0.6
239.10674	0.6
249.09102	1.2
253.08664	0.5
255.10246	0.6
266.11792	0.5
267.10141	0.6
276.32553	0.6
277.08533	0.6
292.13129	0.5
293.94196	0.4
328.15384	0.6
338.13885	0.9
342.16837	0.9
344.24310	0.7
356.14786	3.0
360.18195	0.8
378.19339	0.5
402.19058	0.8
414.26343	0.5
464.20712	0.9
482.21771	1.1
492.19989	0.9
500.22791	2.3
524.22717	2.4
524.29437	0.4
542.23828	3.1
560.24829	8.9
584.24902	1.4
602.26044	0.8
620.26886	100.0
621.27234	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	620.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.4
63.11007	0.4
65.03925	2.8
70.06577	0.5
79.05497	0.4
82.06570	0.6
85.02907	1.0
91.05468	1.3
93.07014	0.5
94.06561	0.9
95.04932	0.6
96.08147	0.6
96.84650	0.4
98.06023	0.4
105.06993	0.6
107.04944	0.5
107.07330	0.5
108.08126	0.8
109.06500	0.6
111.04460	1.9
117.03378	0.5
117.07011	1.3
117.71114	0.4
119.05022	0.5
119.08585	0.3
121.02853	81.4
121.03879	2.6
122.03226	1.1
123.04426	0.4
124.07553	1.7
129.06979	0.7
131.08475	0.5
132.08041	0.6
133.02803	0.5
133.06496	0.5
137.05891	0.5
142.08594	0.4
143.08533	0.4
145.02834	2.5
145.06462	0.4
147.04439	1.0
148.07581	0.5
148.08870	0.4
150.09090	0.7
153.07001	0.4
158.09650	0.5
160.07590	1.2
163.03909	0.5
164.10683	0.5
165.07014	0.8
167.08447	0.6
170.09552	0.5
172.11195	0.6
174.05482	0.6
176.10811	0.5
177.05440	4.4
179.08525	0.9
181.10100	0.8
183.08170	0.4
188.10732	0.7
190.12239	0.7
191.08556	0.5
192.09312	0.5
193.10031	0.5
195.08113	0.6
197.09714	0.4
203.08740	0.5
205.10141	1.1
208.13272	0.4
211.07626	0.4
217.10162	0.6
219.08203	0.7
221.09592	0.7
223.11258	0.5
225.09096	0.5
232.22063	0.4
233.09665	0.6
251.10757	0.7
264.13605	0.4
268.13358	0.5
294.15070	0.7
312.16080	0.7
322.14355	0.9
340.15402	4.5
344.18616	0.8
362.19598	0.8
372.18127	1.1
389.33563	0.4
390.19363	0.7
404.20618	0.5
422.21686	1.1
438.19339	0.8
440.23151	0.4
464.20883	0.4
466.18713	0.7
482.21979	1.5
492.20227	0.7
500.22809	3.2
510.21265	1.2
524.22736	1.7
528.22168	0.9
542.23633	2.7
560.24817	11.6
561.23376	0.4
584.24683	0.9
602.25208	0.6
620.26923	100.0
621.27417	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	620.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	0.4
63.11007	0.4
65.03925	2.8
70.06577	0.5
79.05497	0.4
82.06570	0.6
85.02907	1.0
91.05468	1.3
93.07014	0.5
94.06561	0.9
95.04932	0.6
96.08147	0.6
96.84650	0.4
98.06023	0.4
105.06993	0.6
107.04944	0.5
107.07330	0.5
108.08126	0.8
109.06500	0.6
111.04460	1.9
117.03378	0.5
117.07011	1.3
117.71114	0.4
119.05022	0.5
119.08585	0.3
121.02853	81.4
121.03879	2.6
122.03226	1.1
123.04426	0.4
124.07553	1.7
129.06979	0.7
131.08475	0.5
132.08041	0.6
133.02803	0.5
133.06496	0.5
137.05891	0.5
142.08594	0.4
143.08533	0.4
145.02834	2.5
145.06462	0.4
147.04439	1.0
148.07581	0.5
148.08870	0.4
150.09090	0.7
153.07001	0.4
158.09650	0.5
160.07590	1.2
163.03909	0.5
164.10683	0.5
165.07014	0.8
167.08447	0.6
170.09552	0.5
172.11195	0.6
174.05482	0.6
176.10811	0.5
177.05440	4.4
179.08525	0.9
181.10100	0.8
183.08170	0.4
188.10732	0.7
190.12239	0.7
191.08556	0.5
192.09312	0.5
193.10031	0.5
195.08113	0.6
197.09714	0.4
203.08740	0.5
205.10141	1.1
208.13272	0.4
211.07626	0.4
217.10162	0.6
219.08203	0.7
221.09592	0.7
223.11258	0.5
225.09096	0.5
232.22063	0.4
233.09665	0.6
251.10757	0.7
264.13605	0.4
268.13358	0.5
294.15070	0.7
312.16080	0.7
322.14355	0.9
340.15402	4.5
344.18616	0.8
362.19598	0.8
372.18127	1.1
389.33563	0.4
390.19363	0.7
404.20618	0.5
422.21686	1.1
438.19339	0.8
440.23151	0.4
464.20883	0.4
466.18713	0.7
482.21979	1.5
492.20227	0.7
500.22809	3.2
510.21265	1.2
524.22736	1.7
528.22168	0.9
542.23633	2.7
560.24817	11.6
561.23376	0.4
584.24683	0.9
602.25208	0.6
620.26923	100.0
621.27417	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	620.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02362	1.1
53.03929	1.4
55.05492	0.5
56.05017	0.6
57.03422	0.6
58.06567	0.5
61.20794	0.3
62.99512	0.3
66.90785	0.3
67.05493	0.5
69.07052	0.3
70.06584	0.6
74.06060	1.0
77.03914	1.6
79.05485	0.7
81.07036	0.7
82.06576	0.6
86.06046	0.8
91.05461	1.9
93.07034	1.1
94.06545	1.7
95.04951	9.9
95.08585	0.4
96.08134	0.4
97.06506	0.4
98.23478	0.8
105.03372	62.6
105.04388	3.6
105.06998	2.3
106.03716	1.1
107.08562	0.4
108.08089	1.2
109.10164	0.5
110.06013	1.1
112.07545	0.4
114.05505	0.4
117.06992	0.9
119.04973	0.3
119.08547	0.7
120.08047	0.3
121.06483	0.5
124.07624	0.4
128.06201	0.7
128.25264	0.3
129.06995	1.2
131.08626	0.7
132.08084	1.3
133.06361	0.3
134.09615	1.0
138.16335	0.3
139.02831	0.3
141.06963	0.9
142.07733	0.3
143.08539	1.5
144.08064	0.9
145.06471	0.8
146.09645	1.3
147.08022	0.6
148.07550	0.7
148.11200	0.8
150.12781	0.4
153.07022	0.4
154.07848	0.4
157.08846	1.3
157.10056	0.6
158.09634	2.9
160.07599	0.8
160.11220	0.6
162.09155	0.7
165.07014	0.8
166.07698	0.4
167.08568	1.3
169.10110	1.4
171.10406	0.4
173.08286	0.7
174.09120	0.9
176.10741	0.4
178.07683	0.4
179.08502	2.3
180.09291	0.6
181.10141	1.7
182.09552	0.5
183.08011	0.4
183.11758	0.7
184.11168	0.4
190.12209	0.3
191.08568	0.9
192.09360	1.2
193.10085	1.9
194.10953	0.5
195.11716	1.9
196.11147	0.5
203.08566	1.4
204.09349	1.0
205.10175	1.7
206.11066	0.7
207.11700	0.9
208.11110	0.7
209.13264	0.7
210.09169	0.3
210.12747	0.5
211.11230	0.4
215.08572	0.7
216.09377	0.7
217.10179	1.1
218.10858	0.6
219.08138	0.6
219.11685	2.1
221.09680	0.3
221.13231	2.2
222.12688	0.6
223.14841	0.6
226.12151	0.3
229.10089	0.6
230.10910	1.4
231.11807	0.7
233.13281	1.0
234.12801	0.8
235.11269	0.4
235.14978	1.7
236.14272	0.6
238.12263	0.3
240.09822	0.4
245.13371	1.6
246.12746	0.8
247.13467	0.4
248.14474	0.4
249.12608	0.4
251.14391	0.7
252.13847	0.6
254.15239	0.6
260.14355	1.4
261.12613	0.4
261.15036	0.8
262.15878	0.4
263.14221	1.1
264.13904	0.4
266.15283	0.4
266.19080	0.6
272.14474	0.4
274.15881	0.9
275.16656	0.7
276.17395	10.4
277.17917	0.4
290.15469	0.9
292.17056	0.7
294.18427	2.3
304.16965	1.4
312.19550	0.7
322.17935	5.3
336.19632	0.8
340.19083	0.8
354.20734	1.2
354.30255	0.3
357.83279	0.3
364.19159	1.4
382.19983	2.8
396.21829	0.5
398.20361	0.3
424.21274	0.8
426.20688	0.4
430.20560	0.3
442.22137	0.8
444.21503	0.5
456.20544	0.4
458.23383	1.3
476.23779	0.6
486.22699	1.2
498.25027	0.6
504.23874	1.1
518.25354	6.0
546.24750	16.0
547.25208	1.1
560.26062	0.4
620.28436	100.0
621.28766	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	620.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03941	0.8
56.05027	1.7
58.06593	7.3
65.03957	0.7
67.05503	1.0
70.06610	1.3
71.04972	0.7
72.08143	0.5
75.04478	1.3
77.03931	1.1
79.05495	1.7
80.05029	0.6
80.90548	0.5
81.07066	0.7
84.08115	0.7
85.02911	1.3
86.06050	1.1
88.07632	1.0
90.44084	0.6
91.05474	1.8
93.03385	0.6
93.07040	0.7
95.04953	5.1
96.08102	0.7
97.02892	1.2
97.06514	0.7
98.09667	1.0
101.81090	0.5
102.09193	2.3
103.05438	0.7
105.03379	28.7
105.04511	1.6
105.07002	1.3
106.03667	0.6
107.04935	0.8
108.08119	1.8
109.06515	1.0
111.04415	1.2
112.07588	0.7
115.05430	1.2
116.10726	1.7
117.07018	1.2
121.02859	1.2
121.08852	0.5
122.09652	1.1
123.04351	0.6
123.08144	0.6
125.05956	0.8
128.06244	1.5
129.07008	3.4
131.08569	1.8
132.08162	0.7
135.08046	0.5
137.05989	0.5
138.09193	0.6
140.07129	0.6
141.06999	1.6
143.08563	1.5
145.06435	0.5
146.09639	0.6
153.05525	0.6
153.06975	0.7
157.06541	0.5
158.09618	1.2
159.08040	1.3
159.10507	0.8
160.11194	1.4
163.03868	0.6
165.07047	0.8
167.08553	1.3
169.06470	0.9
171.08060	1.1
172.11240	1.3
173.09654	0.9
177.08974	0.5
178.07690	0.8
179.08496	1.9
181.10310	0.6
182.11754	0.9
183.07985	0.6
184.11205	1.4
185.12154	0.6
186.12857	0.6
187.07547	0.7
191.08669	0.7
197.09717	0.6
202.12332	0.6
203.08606	1.2
205.10153	0.7
207.08139	0.8
207.83835	0.6
208.11182	0.6
209.09645	0.8
221.09763	0.8
233.09706	0.9
246.07246	0.6
249.08960	0.6
256.10272	0.6
266.11948	0.6
278.27066	0.6
330.27335	0.6
339.28058	0.6
344.24347	1.7
359.62790	0.6
382.23721	1.1
386.23325	1.3
388.53421	0.5
414.26309	5.5
423.08295	0.5
446.28891	2.7
506.22064	0.6
512.22534	0.6
538.24707	2.6
556.25641	0.9
570.26874	7.0
588.27856	1.8
602.29590	1.1
620.30560	100.0
621.30823	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	620.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	18.1
55.05497	34.4
57.07087	10.4
67.05494	59.4
69.07048	19.4
69.12591	43.2
71.67284	7.4
74.42248	8.0
76.44396	8.0
79.05480	39.1
81.03410	12.6
81.07052	50.9
83.04948	10.9
83.08612	39.5
91.05461	43.9
93.07034	44.1
95.04967	53.2
95.08594	32.6
97.06525	19.1
97.10188	13.1
105.07005	50.7
107.04936	23.4
107.08567	33.2
109.06506	12.3
109.10113	15.7
109.62224	7.2
111.08047	10.3
117.06999	17.4
119.08595	53.3
121.10094	11.5
123.08062	16.1
125.09611	10.3
131.08560	22.9
133.10135	36.3
135.08031	12.4
135.11671	13.5
145.10107	30.3
147.11676	22.6
149.09601	29.9
159.11667	16.7
161.09705	14.0
163.11145	37.2
169.10164	9.9
171.11693	9.9
173.13185	12.9
188.97343	8.2
213.16579	9.6
223.13278	17.5
239.18048	15.0
257.19092	13.6
275.20013	100.0
291.19348	15.7
293.21033	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.27
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48482	4.8
72.33724	1.0
81.07046	1.4
93.07027	1.3
94.88369	1.1
95.05016	1.4
95.08633	1.3
348.15350	1.2
389.17633	4.2
390.18320	1.8
401.17307	1.4
403.19214	5.0
404.20215	1.8
417.16888	4.0
419.22418	7.9
430.17767	1.4
431.18619	3.9
432.19269	2.0
433.20114	2.8
445.19968	6.2
446.21036	6.4
447.21744	12.9
456.19626	1.6
459.22052	2.4
474.20230	10.8
475.21191	18.4
487.21304	3.8
491.20398	2.0
501.22913	3.3
505.25949	2.0
531.36517	3.2
533.25342	13.9
561.24878	86.5
562.25031	6.5
589.24048	2.8
593.27417	3.3
621.26947	100.0
622.27289	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07062	0.5
60.10816	0.3
61.06010	0.3
66.31057	0.3
67.05513	0.5
71.05521	0.4
79.05472	0.6
81.07048	0.7
83.08591	0.3
93.07044	0.7
95.04976	0.5
95.08579	0.5
101.91125	0.3
105.07023	0.4
114.38275	0.3
116.55980	0.3
131.09636	0.3
209.10774	0.7
221.10732	0.5
275.20065	0.6
284.86285	0.4
373.14401	0.4
374.15390	0.7
375.16022	1.0
376.66833	0.4
387.16309	0.5
388.16705	1.9
389.17578	4.1
390.18286	1.4
391.18982	1.0
400.17398	0.4
401.17581	1.3
402.14355	0.8
402.18616	1.3
403.19348	6.0
404.19958	2.6
405.15762	0.5
405.20670	3.6
406.21161	0.4
413.17661	0.5
415.14810	0.5
415.19836	0.7
416.15439	1.6
416.20758	0.8
417.16937	4.4
417.21042	3.3
418.17505	1.4
418.21606	1.4
419.22363	7.6
420.22803	1.0
429.16394	0.6
429.21271	0.7
430.17297	0.8
430.22189	0.8
431.17990	8.1
432.19073	3.7
433.19943	3.0
443.18353	0.8
444.19421	0.8
445.20050	7.7
446.20761	6.5
447.21692	9.7
448.22275	1.0
458.21094	0.5
459.17337	1.3
459.21976	2.2
460.18713	0.6
460.22803	0.4
461.19638	1.4
463.21042	0.7
473.19217	1.2
473.23935	1.1
474.20123	6.6
475.21222	7.9
476.21265	0.6
487.21228	2.4
488.21701	0.8
490.23151	0.4
491.20428	0.7
501.22687	1.5
505.25595	1.4
518.23029	0.6
519.20251	0.8
529.22827	0.7
533.25372	13.0
534.25909	1.2
546.22504	0.7
561.24896	19.6
562.25214	1.7
565.28253	0.5
581.76544	0.4
589.24573	1.0
593.27399	3.7
621.26947	100.0
622.27209	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	621.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19030	2.8
51.02385	3.0
53.03952	2.7
55.01859	13.2
55.05501	31.3
57.03436	5.6
57.07072	39.4
62.83950	2.5
65.03915	6.9
67.05151	5.2
67.05489	46.9
69.03403	5.3
69.07061	24.3
71.08618	31.7
71.09363	4.8
79.05490	31.6
81.03403	9.8
81.07047	100.0
83.04986	16.9
83.08611	20.7
85.02910	4.3
85.06546	3.3
85.10172	16.6
91.05450	20.1
92.52340	2.7
93.07034	27.8
95.04947	18.6
95.08601	37.4
97.06522	10.8
97.10159	19.7
99.04452	5.8
99.08094	3.0
105.06991	16.3
107.04956	6.6
107.08567	17.2
109.06507	7.6
109.10139	18.4
111.04414	17.6
111.08057	8.6
117.07005	6.4
119.08541	15.7
121.06493	4.6
121.10142	10.4
123.08041	32.2
123.11669	4.0
125.09624	18.8
129.06947	5.1
131.08530	12.1
133.10117	7.3
135.11682	8.0
137.09576	5.9
143.08527	6.0
145.10081	16.5
147.08060	8.9
147.11671	4.3
149.09621	8.9
153.09024	5.1
153.12714	9.4
157.10034	3.7
159.11682	5.3
163.11143	25.7
165.08984	4.8
173.09534	3.8
175.11159	4.1
181.12218	7.8
189.11229	23.5
191.10683	12.6
193.12064	3.2
223.13313	4.9
227.12700	15.7
239.23711	4.5
255.17387	4.7
265.47412	3.1
273.18469	27.0
283.15305	3.4
291.19504	61.6
292.19818	4.0
313.27325	38.7
326.09833	3.0
365.23050	21.1
603.45831	15.8
621.47083	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	622.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03931	1.0
53.92633	0.3
55.05497	0.7
56.05018	0.5
58.06585	1.2
60.04499	0.3
60.21454	0.4
67.05492	0.9
67.35220	0.3
69.03419	1.0
69.07052	0.7
70.06563	0.7
72.04469	0.3
74.06077	0.4
77.03902	0.9
79.05484	1.1
81.03408	0.8
81.07051	1.7
83.08591	0.3
84.08144	0.4
85.02904	0.6
91.05463	2.1
93.07037	1.5
94.06559	0.5
95.04951	6.1
95.08595	1.1
95.23831	0.3
97.02859	0.4
100.11242	0.7
105.03378	24.2
105.04406	2.2
105.07029	2.7
106.03672	0.4
107.08593	0.6
108.08089	0.8
109.10166	0.9
110.06041	1.3
112.07628	0.7
115.03897	0.4
115.05417	0.6
117.07008	1.0
119.08582	0.9
121.02888	0.4
121.06471	0.8
121.10151	0.4
123.11734	0.4
124.07572	1.1
127.03902	0.4
128.06232	0.6
129.06992	1.3
131.08549	1.4
132.08060	0.4
133.10110	0.4
134.09628	0.7
136.07552	1.2
138.09210	0.4
141.06960	0.7
143.08536	1.3
144.08104	0.5
145.06448	0.6
145.08835	0.7
145.10095	0.7
146.09641	1.5
147.08022	0.6
147.11705	0.4
148.07538	0.4
148.11162	0.3
155.08559	2.2
157.08868	0.7
157.10117	0.6
158.09639	2.0
159.08101	0.7
160.07608	0.4
160.11182	0.4
162.09116	0.7
165.06873	0.7
165.09085	0.5
166.05009	0.3
166.07790	0.5
167.08551	1.0
169.10158	0.8
171.08049	0.7
174.09169	1.1
175.07404	0.4
178.07837	0.7
178.84027	0.3
179.08563	2.0
180.09247	0.7
181.10074	1.9
182.15350	0.5
183.11761	0.5
188.10774	0.4
191.08548	0.8
192.09235	1.6
193.10104	2.4
194.10948	0.7
195.11761	0.8
196.11314	0.4
202.07916	0.4
203.08569	1.1
204.09276	0.4
205.10123	1.3
206.10999	1.0
207.11697	1.7
209.09624	0.6
209.13434	0.6
210.12915	0.5
211.11156	0.5
211.66690	0.4
212.10732	0.6
216.09547	0.4
217.10120	1.0
218.10905	1.8
219.08151	0.4
219.11714	1.4
221.09618	0.4
221.13292	1.4
222.12717	0.5
223.11209	0.4
223.14812	0.6
224.10701	0.4
228.09296	0.4
229.10066	0.5
230.10898	0.5
231.11749	0.6
232.09030	0.3
233.13220	2.9
235.11227	0.6
235.14821	1.0
237.12909	0.7
243.11809	0.7
246.12740	0.4
248.14462	0.6
249.12711	1.5
249.14981	0.5
250.12209	0.5
250.15976	0.5
251.14294	1.1
252.13936	0.7
253.15987	0.4
261.12619	0.8
262.15900	1.0
263.14377	0.4
264.13806	0.4
264.17444	0.9
266.15530	0.4
267.13760	0.5
274.15976	1.5
276.17282	0.4
279.13818	0.5
280.16928	0.5
282.18503	0.6
285.07162	0.3
290.15384	0.9
292.16837	3.2
302.15451	0.9
308.16455	1.5
310.17996	2.3
320.16473	2.5
321.24329	1.2
326.17499	0.5
338.17526	3.2
339.18109	0.5
339.25357	1.0
352.19193	1.0
356.18692	0.6
380.18335	1.7
398.19757	2.9
411.20065	0.4
412.21164	0.4
440.20544	2.1
458.21722	1.0
472.21851	0.3
500.22287	2.1
502.22415	0.5
556.55865	0.5
562.24548	1.2
621.47992	0.7
622.26324	100.0
623.26593	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	622.263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.6
53.03931	1.0
53.92633	0.3
55.05497	0.7
56.05018	0.5
58.06585	1.2
60.04499	0.3
60.21454	0.4
67.05492	0.9
67.35220	0.3
69.03419	1.0
69.07052	0.7
70.06563	0.7
72.04469	0.3
74.06077	0.4
77.03902	0.9
79.05484	1.1
81.03408	0.8
81.07051	1.7
83.08591	0.3
84.08144	0.4
85.02904	0.6
91.05463	2.1
93.07037	1.5
94.06559	0.5
95.04951	6.1
95.08595	1.1
95.23831	0.3
97.02859	0.4
100.11242	0.7
105.03378	24.2
105.04406	2.2
105.07029	2.7
106.03672	0.4
107.08593	0.6
108.08089	0.8
109.10166	0.9
110.06041	1.3
112.07628	0.7
115.03897	0.4
115.05417	0.6
117.07008	1.0
119.08582	0.9
121.02888	0.4
121.06471	0.8
121.10151	0.4
123.11734	0.4
124.07572	1.1
127.03902	0.4
128.06232	0.6
129.06992	1.3
131.08549	1.4
132.08060	0.4
133.10110	0.4
134.09628	0.7
136.07552	1.2
138.09210	0.4
141.06960	0.7
143.08536	1.3
144.08104	0.5
145.06448	0.6
145.08835	0.7
145.10095	0.7
146.09641	1.5
147.08022	0.6
147.11705	0.4
148.07538	0.4
148.11162	0.3
155.08559	2.2
157.08868	0.7
157.10117	0.6
158.09639	2.0
159.08101	0.7
160.07608	0.4
160.11182	0.4
162.09116	0.7
165.06873	0.7
165.09085	0.5
166.05009	0.3
166.07790	0.5
167.08551	1.0
169.10158	0.8
171.08049	0.7
174.09169	1.1
175.07404	0.4
178.07837	0.7
178.84027	0.3
179.08563	2.0
180.09247	0.7
181.10074	1.9
182.15350	0.5
183.11761	0.5
188.10774	0.4
191.08548	0.8
192.09235	1.6
193.10104	2.4
194.10948	0.7
195.11761	0.8
196.11314	0.4
202.07916	0.4
203.08569	1.1
204.09276	0.4
205.10123	1.3
206.10999	1.0
207.11697	1.7
209.09624	0.6
209.13434	0.6
210.12915	0.5
211.11156	0.5
211.66690	0.4
212.10732	0.6
216.09547	0.4
217.10120	1.0
218.10905	1.8
219.08151	0.4
219.11714	1.4
221.09618	0.4
221.13292	1.4
222.12717	0.5
223.11209	0.4
223.14812	0.6
224.10701	0.4
228.09296	0.4
229.10066	0.5
230.10898	0.5
231.11749	0.6
232.09030	0.3
233.13220	2.9
235.11227	0.6
235.14821	1.0
237.12909	0.7
243.11809	0.7
246.12740	0.4
248.14462	0.6
249.12711	1.5
249.14981	0.5
250.12209	0.5
250.15976	0.5
251.14294	1.1
252.13936	0.7
253.15987	0.4
261.12619	0.8
262.15900	1.0
263.14377	0.4
264.13806	0.4
264.17444	0.9
266.15530	0.4
267.13760	0.5
274.15976	1.5
276.17282	0.4
279.13818	0.5
280.16928	0.5
282.18503	0.6
285.07162	0.3
290.15384	0.9
292.16837	3.2
302.15451	0.9
308.16455	1.5
310.17996	2.3
320.16473	2.5
321.24329	1.2
326.17499	0.5
338.17526	3.2
339.18109	0.5
339.25357	1.0
352.19193	1.0
356.18692	0.6
380.18335	1.7
398.19757	2.9
411.20065	0.4
412.21164	0.4
440.20544	2.1
458.21722	1.0
472.21851	0.3
500.22287	2.1
502.22415	0.5
556.55865	0.5
562.24548	1.2
621.47992	0.7
622.26324	100.0
623.26593	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	623.1596
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03921	3.8
55.01855	4.5
57.03403	2.2
62.04514	1.6
64.66663	1.3
69.03420	26.5
69.41167	6.0
73.02907	7.2
85.02890	16.5
87.04452	1.7
97.02876	83.1
98.23400	2.4
101.00224	1.3
115.03912	61.1
121.02850	2.5
121.54329	1.3
127.03924	2.7
153.01859	2.0
157.04938	100.0
175.05991	25.1
287.05457	82.5
288.05933	1.9
311.05441	2.6
329.06485	2.5
331.04211	1.5
371.07608	1.7
449.10675	3.7
467.02713	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86190	0.2
53.03933	0.2
57.03418	0.4
68.99787	0.5
69.03419	15.4
69.26717	0.9
70.03735	0.3
77.95522	0.2
81.03407	0.3
85.02902	1.0
87.04482	0.2
97.02879	14.8
99.04412	0.2
104.79126	0.2
107.04941	0.2
109.02860	0.3
111.00786	0.5
115.03917	14.1
116.97717	0.2
121.02846	2.6
127.03922	0.4
131.32545	0.2
133.02818	0.4
137.02321	0.8
145.04897	0.3
145.06520	0.3
147.04419	0.4
153.01790	2.9
157.04945	0.3
165.01804	1.6
175.05989	0.3
183.02879	0.8
185.05936	0.4
189.05522	0.2
213.05421	1.2
224.52554	0.2
231.06516	0.5
241.04935	0.7
245.04704	0.2
258.05240	0.8
259.06027	0.4
287.05450	100.0
288.05746	3.0
299.05450	0.6
327.71387	0.2
365.06503	0.3
376.31662	0.2
419.09656	0.6
449.10721	6.0
450.10898	0.4
453.69595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1604
Annotation	Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
51.02351	0.5
51.86615	0.2
53.03939	1.4
55.00335	0.2
55.01831	0.9
55.05474	0.3
57.03434	1.7
59.04961	0.4
60.04472	1.0
61.02919	3.0
63.92222	0.2
67.05450	0.7
69.03422	7.3
69.07013	0.3
70.06544	0.4
71.01330	0.4
71.04974	1.3
71.44865	0.3
73.02907	10.2
77.03885	0.5
79.05438	0.9
81.02975	0.3
81.03409	4.6
81.06999	1.0
82.06538	0.7
83.01287	0.7
85.02892	20.5
87.04459	1.2
91.05434	0.6
93.07005	0.7
94.06535	0.6
95.04955	3.6
95.06875	0.3
95.08557	0.4
96.05290	1.3
96.08083	0.3
97.02879	27.2
97.06477	0.3
99.04442	3.9
101.02309	0.3
103.03890	0.4
103.05417	0.4
104.53335	0.3
105.03381	18.1
105.04399	1.4
105.06993	0.6
106.03710	7.6
106.04802	0.4
107.03904	1.3
107.04904	0.8
107.08537	0.3
108.08067	0.8
109.02862	7.0
109.10094	0.4
111.00758	1.1
111.04379	0.4
115.03918	2.7
117.06965	0.6
120.08045	0.4
121.02815	2.1
121.06474	0.4
121.10120	0.4
124.07534	0.7
127.03898	9.0
128.06183	0.4
129.06929	0.6
130.07283	0.3
132.07996	0.4
133.02788	0.5
133.04929	0.9
135.04399	0.3
137.02258	0.8
138.09102	0.8
139.03836	0.5
145.04938	13.3
146.09579	0.3
147.04381	1.3
153.01797	2.9
156.10129	0.5
157.06490	0.5
160.07512	0.4
162.09053	0.3
162.23691	0.3
165.01849	1.6
166.07494	0.3
169.04912	0.7
177.05331	0.4
178.07726	0.3
179.08438	0.4
180.08833	0.3
181.06343	0.3
183.02803	0.8
185.05902	0.5
187.05991	5.6
195.07680	0.3
197.05919	0.3
205.07040	10.7
206.10542	0.3
207.08090	0.4
208.08270	0.4
213.05441	1.1
219.07780	0.5
220.08081	0.3
221.09467	0.3
222.09979	0.4
231.06400	0.4
241.04880	0.8
250.09334	0.3
254.08821	0.3
258.05231	1.0
259.06052	0.5
287.05453	100.0
288.05713	2.6
299.05344	0.7
330.17056	0.3
343.17416	0.4
356.14828	0.4
357.15341	0.4
358.15430	0.7
365.06610	0.4
390.17978	0.3
442.31604	1.1
460.32645	1.1
461.33118	0.4
484.22684	0.3
485.22540	0.3
491.11896	0.8
500.22354	0.3
502.23541	0.6
526.23242	0.7
527.23541	0.7
544.24597	0.7
545.25024	0.7
561.24463	0.4
562.25153	2.5
563.25720	1.6
587.25592	0.4
605.26611	0.3
622.27509	26.3
623.27808	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1599
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03939	2.6
55.01864	2.4
55.08735	1.2
57.03437	2.7
60.04517	12.9
61.02911	6.2
67.05477	4.3
69.03425	37.0
69.07059	1.8
69.41302	1.8
69.41629	7.0
71.01327	1.6
71.04973	1.9
73.02533	2.5
73.02909	29.6
75.90414	1.3
79.05451	1.7
81.03404	12.4
81.07049	4.0
82.06573	1.4
85.02897	43.6
87.04453	2.0
91.05474	2.7
93.07030	6.1
94.06555	3.9
95.04955	5.4
95.08585	3.5
97.02881	37.2
99.04433	13.8
105.03384	10.8
106.03709	5.6
107.04945	1.6
109.02865	92.5
109.10135	2.7
110.09658	2.0
115.03911	6.0
121.02888	3.1
121.06512	2.3
121.10120	1.6
126.09126	3.2
127.03896	60.1
138.09146	10.8
139.03877	6.3
139.07521	2.5
139.09468	2.8
139.90375	1.5
145.04938	13.0
147.04404	3.9
153.01694	3.3
156.10159	7.2
157.04857	1.6
160.01410	1.7
169.04939	18.7
187.05988	20.9
205.07048	67.8
233.09819	1.7
287.05453	100.0
288.05716	3.7
358.15619	1.7
406.29337	2.0
424.30417	4.2
442.31482	19.4
443.31860	7.3
460.32733	14.9
461.33038	6.9
491.11829	1.6
497.80530	1.7
622.27600	19.4
622.37311	3.2
623.27948	22.2
623.37823	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	623.1598
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03933	0.5
55.69706	0.3
57.03419	1.1
59.46804	0.2
61.02927	0.6
67.62941	0.2
68.99767	0.3
69.03419	20.2
70.06575	0.5
71.01356	0.3
71.04987	0.5
71.45532	0.3
73.02537	0.3
73.02908	3.8
73.63263	0.2
76.87683	0.3
81.03402	1.5
85.02892	5.5
87.04443	0.5
87.31577	0.3
95.22445	0.3
97.02878	26.7
99.04449	0.6
105.03394	0.5
109.02850	0.8
111.00770	0.9
111.04427	0.3
115.03914	19.9
121.02838	2.2
127.03899	2.4
133.04907	0.4
137.02286	1.4
145.04970	0.8
147.04366	0.8
153.01801	3.9
157.04947	7.4
165.01843	2.6
175.05994	2.1
177.05505	0.3
183.02841	0.9
187.05978	2.2
190.77960	0.3
205.07043	2.7
213.05435	1.1
229.04912	1.2
231.06497	0.7
241.04832	0.7
247.05898	0.4
247.69945	0.3
257.04431	0.8
258.05188	1.2
259.06094	0.4
287.05450	100.0
288.05768	2.6
293.58371	0.3
303.04941	33.6
304.05490	0.8
304.23074	0.4
365.05725	0.3
449.10678	9.3
623.32294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03946	2.9
55.01867	1.2
55.05497	3.9
57.03433	0.9
57.07049	0.5
58.06589	0.7
59.67815	0.5
65.03915	0.7
65.54967	0.5
67.05498	5.4
69.07064	2.2
69.19846	1.3
69.20253	1.7
70.15636	0.5
77.03909	2.0
79.05494	4.9
81.03422	1.1
81.07047	8.4
83.08603	2.3
83.20827	0.5
91.05485	4.5
93.07036	3.5
95.04958	13.8
95.08583	2.6
97.06507	0.7
97.10175	0.7
104.69417	0.5
105.03383	57.0
105.04405	4.2
105.07001	3.8
107.04935	0.9
107.08574	2.4
109.06525	3.8
109.10156	1.8
111.08064	0.6
117.06995	1.7
119.08591	2.8
121.06555	0.6
121.10126	1.4
123.08111	0.6
129.06996	0.9
131.08553	1.6
133.10149	2.0
135.08041	1.1
135.11700	1.1
143.08549	1.8
145.10126	2.2
147.11699	1.4
149.09653	1.1
155.08591	1.0
157.10095	1.2
159.11696	1.0
163.11247	1.5
169.10069	0.6
171.11699	1.3
173.13316	0.8
181.10069	0.7
185.13239	0.8
197.13403	0.7
199.14847	0.9
211.14670	0.7
212.07043	4.2
239.18214	0.6
248.07077	0.9
249.07747	0.9
250.08484	0.6
252.06577	0.9
252.09723	0.6
257.19104	0.8
260.07010	0.6
262.08893	0.7
264.06445	1.2
267.06458	0.6
273.18658	1.1
275.20041	2.9
276.06619	1.0
277.07309	0.8
278.08121	2.4
279.08908	1.3
280.05981	0.6
281.08112	1.7
283.09604	0.7
287.05447	0.6
289.17908	0.5
290.08044	7.8
291.08890	2.0
291.19440	0.8
292.06061	1.6
292.09616	1.6
293.06906	1.0
293.10461	0.8
294.07675	1.8
294.10974	1.0
295.08536	0.8
306.07559	6.5
306.10883	0.7
307.08435	1.7
307.11752	0.7
308.09067	4.7
310.10687	1.9
312.09790	0.7
320.09238	0.9
321.09933	0.8
322.07059	2.2
322.10651	14.7
323.07889	0.7
323.11404	0.8
324.08643	2.4
326.13895	0.6
327.12360	1.7
336.08615	3.3
336.12201	16.2
337.09418	1.8
337.12979	13.4
338.10220	6.7
338.13776	0.9
339.11218	1.7
352.11783	5.5
354.13333	7.8
361.22882	0.7
370.10974	0.6
381.09735	1.2
397.11990	1.7
412.11490	0.6
426.13144	1.6
428.10730	0.8
429.11060	0.9
441.15787	0.7
442.11713	1.5
443.12317	1.2
455.11957	1.0
456.13107	2.7
457.11136	0.7
458.13467	0.5
471.11771	1.2
472.12622	1.7
485.12701	0.9
486.13940	2.2
487.14032	0.8
502.16449	1.0
503.14352	4.3
505.13681	0.8
515.12305	0.8
517.14404	1.5
518.16718	6.8
519.15936	1.2
528.13837	0.6
531.37775	0.6
532.14893	1.0
533.13385	2.3
545.13361	1.8
546.14325	0.8
547.15173	2.6
548.15710	1.7
559.15033	1.4
560.15710	8.3
561.14154	1.0
562.17462	3.3
563.17706	1.2
565.15948	0.8
576.15253	0.7
577.16125	2.0
591.17505	10.8
592.18018	2.1
593.15698	1.1
595.20313	1.1
605.41431	0.7
606.19696	4.8
607.17517	1.2
623.20154	100.0
624.20465	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87364	3.6
62.13873	3.7
64.31953	3.6
71.06110	5.0
79.71819	3.5
79.91556	3.9
81.07043	6.1
85.10207	4.6
85.53829	3.8
85.73445	3.8
89.06035	16.2
133.08609	6.2
133.90889	3.9
139.99236	3.9
194.18091	5.0
285.68536	4.2
391.19431	5.2
401.18005	4.1
405.20709	5.6
407.22168	21.0
421.23853	9.8
428.19919	5.9
429.20670	17.6
430.21219	8.9
443.22446	6.6
445.20081	4.4
458.24759	7.1
471.21149	5.6
472.22525	6.3
475.21185	6.0
476.22083	6.5
485.23080	12.2
486.24631	4.5
517.25983	9.1
545.25409	80.1
546.25452	7.1
573.24689	20.7
605.27637	88.1
606.27527	11.5
623.28510	100.0
624.28564	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	623.361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86375	0.2
55.05484	0.8
56.96557	4.3
58.88883	0.2
64.13424	0.2
65.05807	0.2
67.05484	0.6
79.05447	0.7
80.84525	0.2
81.07016	1.0
83.08604	0.3
91.05455	0.6
93.06994	0.7
95.08565	0.7
97.96769	0.3
98.97541	0.9
105.07015	0.9
107.08554	0.3
109.10124	0.3
110.97572	0.7
116.98597	0.6
117.06937	0.3
119.08515	0.4
128.98573	1.9
129.06964	0.3
131.00107	0.8
131.08546	0.4
137.02705	0.3
139.00702	0.3
143.00117	0.3
145.10100	0.6
146.99617	1.2
149.01173	0.4
153.02202	0.5
157.01625	0.3
157.10117	0.2
161.01222	0.5
163.02864	0.3
167.03822	0.5
171.03261	1.3
175.02850	0.4
177.04295	0.3
177.05804	0.3
181.05321	0.5
185.04831	2.2
186.66689	0.3
189.04413	0.5
192.00873	0.3
195.06865	0.3
199.06413	3.6
203.05870	4.1
205.01721	0.4
205.07404	0.4
210.01987	0.4
211.06464	0.8
213.07852	0.4
217.07445	5.6
219.03273	0.5
219.06804	0.3
221.06866	0.4
223.02771	1.6
223.06345	0.6
223.08452	0.7
224.03551	0.3
225.04224	0.5
225.07945	0.6
226.05109	1.0
229.07506	0.5
231.06865	0.5
237.04280	2.9
237.07933	0.6
238.04895	0.5
239.09489	0.8
244.06119	0.3
247.18230	0.3
249.08035	0.6
251.05952	0.5
252.06796	0.3
253.11072	0.7
255.05251	0.6
255.09056	0.4
262.08679	1.3
265.07483	0.6
267.09030	1.4
271.12119	0.4
279.08963	1.1
280.09772	2.9
281.10480	0.7
282.06598	0.3
285.10110	1.0
287.05524	0.3
289.14780	0.5
298.10596	1.2
303.11194	0.4
305.13895	0.3
307.15802	1.4
311.11588	0.3
313.14447	0.4
319.15485	0.4
325.16837	0.6
331.15720	24.0
332.16147	0.6
349.16803	100.0
350.17111	2.3
351.17316	0.3
367.17889	3.5
372.18399	8.0
373.19003	0.3
387.43585	0.3
533.70819	0.2
623.35919	31.5
624.36499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39098	0.9
53.03918	3.4
55.01841	3.8
55.05506	10.8
57.03409	4.6
58.78619	1.5
59.07329	1.1
63.16770	1.0
65.03916	2.1
67.05496	31.3
69.07053	6.2
71.04956	1.9
71.08617	1.7
77.19160	1.0
79.05482	29.4
81.03390	2.3
81.07044	52.6
83.04932	4.1
83.08596	5.7
85.06502	2.8
91.04945	1.7
91.05464	24.3
93.07034	19.9
95.04436	1.9
95.04952	21.5
95.08594	15.6
97.06486	2.4
97.10123	2.6
98.89491	1.0
99.08096	1.9
105.04459	1.2
105.07017	19.5
107.04899	4.2
107.08580	9.4
109.06503	36.0
109.10162	5.5
113.05941	3.8
115.05395	2.1
117.07013	9.9
119.08570	14.5
121.06436	4.2
121.10107	5.1
123.08034	2.2
125.09559	2.0
128.06148	1.9
129.06987	6.2
131.08542	13.2
133.06485	2.4
133.10083	9.1
135.07967	4.1
135.11621	4.3
137.09550	2.5
141.06914	2.6
143.08560	7.1
145.06427	1.1
145.10097	10.3
147.08066	2.7
147.11621	5.5
149.09546	3.1
154.07680	1.8
155.08459	2.9
157.10077	5.1
159.08015	1.9
159.11685	7.5
161.09627	5.4
161.13164	2.6
163.11099	3.9
165.08997	1.1
167.08463	1.8
168.09148	1.0
169.10028	4.8
171.11676	6.0
173.09361	1.4
173.13098	3.1
175.11064	1.4
175.14803	1.3
177.16464	1.1
179.14241	1.6
181.10081	1.8
183.11577	3.9
185.13161	3.0
187.11108	1.3
187.14850	2.1
193.10036	1.6
194.13753	1.2
195.11548	3.7
197.13226	2.5
199.14709	3.2
201.12610	2.2
209.13126	2.2
213.16252	1.2
215.14236	1.2
217.15877	2.3
221.13216	1.3
225.12599	1.3
237.16341	1.3
239.17856	1.1
241.19379	1.8
255.17261	1.7
257.18787	1.6
259.20398	3.2
273.18494	11.5
275.19849	3.4
277.21484	1.6
279.15527	1.2
291.19455	11.5
314.38043	1.0
331.03351	1.3
331.18616	1.6
333.23975	3.2
347.21960	4.7
399.15344	1.3
513.36005	1.3
531.37872	2.1
538.28406	1.2
549.38849	1.8
605.41840	7.5
623.38751	100.0
624.39093	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	624.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	1.6
61.02893	0.6
65.03931	0.6
69.03413	2.2
70.06570	0.9
71.44526	0.6
77.03940	0.5
81.03407	4.3
85.02888	2.4
91.04929	1.0
91.05460	11.8
95.04954	0.8
97.02884	1.1
105.03378	1.9
109.02865	1.5
115.03854	0.7
117.03361	1.5
119.04932	22.6
127.03841	0.8
132.02045	0.6
137.05969	0.6
145.02838	3.7
147.04382	20.1
148.04706	0.6
149.02301	0.8
149.17300	0.6
151.07515	2.3
157.03914	2.5
174.03140	0.9
175.03885	38.0
176.04176	0.8
177.05443	6.2
179.07005	1.7
192.04158	1.1
196.13321	0.7
207.06497	100.0
208.06816	2.8
224.24068	0.6
225.07396	0.6
283.11667	2.3
351.10669	4.6
369.07431	0.8
369.11761	10.8
393.53516	0.5
405.00562	0.6
427.25494	0.7
580.20044	0.6
596.89380	0.6
624.25861	2.3
628.33655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.5
51.02364	1.3
53.03935	2.9
53.17775	0.4
55.01859	0.8
57.03415	1.8
58.06591	33.6
58.19071	0.4
61.02911	2.1
65.03922	2.5
69.03419	10.2
69.26965	2.3
69.33710	0.4
71.04976	0.6
73.02895	1.3
77.03908	1.9
79.05476	2.3
81.03403	9.5
85.02399	0.9
85.02892	17.7
85.03409	0.8
87.04442	1.6
91.05466	34.8
92.05786	0.6
95.04954	15.2
97.02878	9.6
99.04445	2.3
103.05354	0.4
105.03378	84.7
105.04510	4.1
106.03696	1.3
108.05773	0.5
109.02856	6.1
119.04922	30.2
120.05265	0.7
123.04423	5.4
123.08047	0.8
127.03894	8.4
136.05173	3.7
137.05927	2.3
145.04918	3.6
147.04385	4.5
148.66776	0.4
151.07516	100.0
152.07889	1.4
155.43343	0.4
175.03876	8.5
177.05507	0.7
194.11766	0.9
195.06502	0.6
196.13300	55.9
197.13626	1.0
207.06493	20.6
208.06886	0.5
231.06497	1.1
238.14273	0.5
249.07527	13.6
267.08606	7.6
369.11575	1.0
462.21210	5.6
463.21466	0.4
497.41364	0.4
624.26398	56.8
625.26514	4.7
649.16174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01387	0.8
50.01611	0.8
51.02384	0.7
53.03938	2.5
55.05511	0.8
56.05039	0.7
57.03424	1.5
58.06591	35.2
61.02906	1.5
64.28725	0.7
65.03937	2.9
66.05821	0.8
69.03414	12.0
69.07047	1.1
69.15628	3.8
70.06590	3.5
71.04987	1.3
73.02908	1.8
77.03921	1.9
79.05466	1.9
81.03413	10.6
81.06998	0.9
85.02895	17.7
87.04469	2.0
91.05460	31.8
93.07039	1.6
94.06605	0.8
95.04956	12.0
97.02875	9.6
97.06493	0.7
98.22604	1.2
99.04459	1.7
104.37285	0.7
105.03378	78.9
105.04515	3.4
105.07027	1.7
106.03727	1.1
107.08579	1.8
109.02847	7.5
109.70916	0.7
110.07056	1.0
111.08071	0.7
112.07629	1.6
115.03883	1.0
115.07583	1.0
117.07046	1.0
119.04924	29.9
121.06465	1.0
121.10105	1.4
123.04418	5.7
123.08034	1.5
126.05506	1.0
127.03896	9.2
131.08559	0.9
133.10094	1.7
135.08006	1.5
136.05186	3.0
137.05939	2.7
137.09621	0.7
138.05484	1.5
145.02818	0.8
145.04958	4.0
147.04375	6.9
151.07518	100.0
152.07872	2.2
165.07155	1.0
173.13252	1.7
174.05884	0.9
175.03883	10.8
177.05530	1.2
179.06995	1.1
179.08502	1.0
180.27165	0.7
191.14276	1.1
196.13297	59.6
197.13675	1.0
205.10252	0.8
207.06488	27.9
208.06702	1.1
209.06989	1.0
209.15408	1.5
219.04958	1.4
222.14240	0.9
231.06458	0.7
247.42131	0.8
249.07523	11.2
265.51303	0.8
267.08575	8.9
312.16113	1.8
333.01440	0.7
351.10712	1.1
369.11603	2.2
376.43420	0.8
386.23114	1.0
400.24594	2.6
418.25754	2.4
450.28577	9.5
462.21140	4.4
624.26263	67.0
625.26770	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	624.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00193	0.4
56.05030	1.1
58.06590	3.9
69.60483	1.4
69.79995	0.4
70.06584	0.7
71.04991	1.8
72.08157	3.3
73.68648	0.5
75.04483	2.6
79.05495	1.2
80.05005	0.4
81.03434	0.4
82.17567	0.4
85.06551	0.5
88.07619	0.6
91.05482	2.5
93.07020	0.7
95.05003	1.1
102.09172	2.1
103.05450	5.7
105.07001	2.0
108.08115	2.2
109.06516	1.2
115.05433	0.6
117.07027	1.4
121.06482	1.3
122.09652	1.1
128.06158	0.6
129.06996	1.6
131.04900	8.6
131.08600	1.5
133.06396	0.7
134.09644	0.5
135.08015	2.1
141.06995	1.4
143.08577	1.1
146.09660	0.9
147.08072	0.8
147.10472	0.5
152.10696	0.6
153.06984	0.6
154.12337	0.5
155.08566	1.9
156.52771	0.4
158.09648	1.2
159.08060	0.8
160.11191	0.6
161.09607	0.5
163.07480	0.8
165.06998	1.2
166.07762	0.5
167.08568	1.5
169.10170	0.6
173.09608	0.6
174.12726	0.6
177.09074	1.0
178.12248	1.4
179.08521	2.2
180.09398	0.5
181.10098	1.0
185.09598	0.6
188.10715	0.8
191.08566	1.0
192.09320	0.5
193.10181	0.9
196.11266	0.6
197.09613	0.4
199.11217	0.5
202.07689	0.5
203.08562	1.1
204.09367	1.0
205.10197	2.0
207.11690	0.8
209.09581	1.0
210.12791	0.5
212.14478	0.5
215.08612	1.0
216.09259	1.0
216.13737	0.4
217.10124	1.1
223.11214	0.5
231.11758	1.5
233.13220	1.1
237.12679	0.6
248.12038	0.4
249.12756	0.6
252.14001	0.7
262.15903	0.7
263.14297	1.1
275.14166	0.5
276.17432	0.8
288.17493	0.9
292.16885	0.8
294.18668	0.5
306.18552	0.6
320.20227	1.0
328.18878	0.5
330.20691	0.6
338.21115	1.2
352.22876	1.2
370.24149	0.7
380.22195	2.0
384.21475	1.0
384.25885	0.5
412.24792	9.7
416.24292	4.8
444.27408	36.7
445.28079	1.3
476.30026	27.8
477.30396	0.8
540.30920	0.6
624.35193	100.0
625.35474	6.0
652.74786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.353
Annotation	Leueantine B
Peak:m/z	Relative Intensity
51.02387	0.4
55.01875	0.5
56.05027	1.6
58.01242	0.4
58.06593	4.2
59.05002	0.7
64.49593	0.4
65.03957	0.4
67.05502	1.7
68.94131	0.4
69.43081	1.8
70.06588	0.9
71.04973	2.0
72.08147	3.9
74.06040	0.3
75.04463	2.8
79.05502	1.6
80.08401	0.4
81.07049	0.9
81.41526	0.4
84.08140	0.7
85.02900	0.4
85.06548	0.5
91.05461	3.3
93.07038	1.0
95.04981	1.2
96.08158	0.5
98.09696	0.9
102.09160	3.6
103.05453	7.2
105.03375	0.8
105.07055	2.6
107.04919	0.4
107.08597	0.6
108.08093	2.9
109.06529	1.1
110.36906	0.4
115.05457	1.1
117.07001	2.4
121.06523	1.6
122.09667	1.2
123.08075	0.8
123.88416	0.3
124.11175	0.6
126.09155	0.4
128.06230	0.8
129.06981	2.2
131.04922	7.6
131.08516	1.9
133.06499	1.3
134.09689	0.7
135.08032	1.8
135.10445	0.4
137.05978	1.0
138.09149	0.4
141.06989	1.6
143.08577	1.5
145.10103	0.8
146.09624	0.7
147.08046	1.9
148.07605	0.5
148.11211	0.6
149.06009	0.7
152.10661	1.1
153.07021	1.3
154.12305	0.5
155.08569	1.9
157.10155	0.5
158.09706	1.3
159.08014	1.2
159.10330	0.4
160.11191	0.9
161.09674	0.9
165.07002	1.5
165.09074	0.6
165.11499	0.6
166.07793	0.5
167.08606	1.3
169.10175	0.7
171.08066	0.9
172.11229	1.4
175.07492	0.5
177.09039	0.9
178.07805	0.9
178.12276	1.3
179.08560	1.3
181.10159	1.1
184.11191	0.5
185.09660	1.2
185.11925	0.4
186.12820	0.4
188.10709	0.9
191.08604	1.7
192.09268	1.0
193.10216	1.2
195.08138	0.7
197.09610	0.6
199.11281	0.7
202.07759	0.6
203.08607	1.4
204.09351	0.6
205.10153	1.9
207.11749	1.3
209.09575	0.4
210.12875	0.6
211.11206	0.5
212.22394	0.4
212.75999	0.4
215.08601	1.1
216.09373	1.6
217.10207	1.2
218.11050	0.7
219.11797	1.1
221.13264	0.7
222.10298	0.6
223.11124	0.4
228.09346	0.7
230.10995	0.5
231.11710	1.6
233.09784	0.5
233.13330	1.6
235.11172	0.8
236.14374	0.7
237.12671	0.7
246.12761	0.6
248.11984	0.5
248.14442	0.5
249.12694	0.8
262.15887	0.7
262.97775	0.4
263.14310	1.4
265.15894	0.4
276.17511	0.7
281.15323	0.5
288.17654	0.6
290.15250	0.4
292.17047	0.7
294.18771	0.6
295.16989	0.7
306.18509	1.1
310.17999	0.6
320.20102	1.1
322.22455	0.5
324.19592	1.0
338.21219	1.1
342.20813	0.7
352.22879	1.4
354.20581	0.6
356.22235	0.8
366.20483	0.8
368.22250	0.6
380.22260	2.0
384.21539	0.9
384.25693	0.4
398.23022	0.7
409.23581	1.9
412.24725	10.3
416.24249	6.9
427.24829	4.4
444.27414	37.6
445.27847	1.9
476.29996	32.9
477.30261	1.6
624.35199	100.0
625.35541	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	624.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05789	1.1
51.15590	1.1
53.03934	2.0
55.01866	10.4
55.05248	2.2
55.05501	29.0
57.03432	14.5
58.06602	1.6
59.04985	4.4
65.03921	2.2
67.05492	24.9
69.03428	3.5
69.07059	21.3
71.01324	1.6
71.04986	4.0
79.05479	37.8
80.05843	1.4
81.03404	13.3
81.07045	41.4
83.01335	9.3
83.04969	14.2
83.08613	19.6
83.81615	1.1
85.02909	4.3
85.06522	1.6
91.05460	25.4
91.05975	1.8
93.07030	38.3
95.04958	15.4
95.08593	14.7
97.02868	2.6
97.06522	6.7
97.10146	10.6
98.22616	2.6
99.00846	3.1
99.04451	4.3
99.08104	1.3
103.05444	1.6
105.04533	1.8
105.07011	21.5
107.04930	13.5
107.08576	21.9
109.02847	3.4
109.06495	12.4
109.10129	5.5
111.04459	6.3
111.08066	4.5
115.05467	2.4
117.06991	15.5
119.08558	18.0
121.02820	1.3
121.06478	8.9
121.10142	10.7
123.04419	3.5
123.08030	9.0
125.05988	1.9
125.09610	7.8
128.06203	1.8
129.07008	4.1
131.08553	8.0
133.06461	2.2
133.10106	9.9
135.08060	10.3
135.11671	10.9
137.05867	1.5
137.09644	3.9
139.07538	1.6
143.08563	2.9
145.06461	5.3
145.10101	17.0
147.08051	4.0
147.11658	2.2
149.09634	3.9
151.11153	3.3
153.09097	3.1
153.12718	2.5
155.08571	3.1
157.10117	2.5
159.08049	4.4
159.11768	1.6
161.09610	5.1
163.07507	7.4
163.11168	23.8
165.09077	1.2
173.09589	5.2
175.11143	1.3
179.10664	2.1
181.12271	4.1
189.09457	1.5
189.11221	4.5
190.13702	1.4
191.10684	3.7
193.12204	14.5
209.11655	7.7
219.13899	1.7
225.04362	1.7
227.12718	9.4
243.17413	2.1
261.18457	3.3
271.16748	5.4
275.19897	1.2
283.15347	100.0
289.17923	22.4
307.18964	7.5
363.21533	8.4
381.22656	63.1
382.22827	1.3
571.32550	5.0
589.33618	48.5
624.24689	1.2
624.43323	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	625.1759
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03933	0.3
54.76532	0.2
55.01856	0.3
57.03423	0.8
61.02924	1.1
68.47645	0.2
69.03418	2.7
70.73579	0.3
70.91926	0.2
71.04977	0.9
73.02898	0.4
81.03410	1.2
84.84649	0.2
85.02893	7.6
85.03408	0.4
87.04460	0.4
92.02596	0.5
93.03385	0.6
96.62653	0.2
97.02883	2.5
99.04409	0.4
105.03386	0.6
109.02882	1.0
111.00714	0.2
121.02847	0.8
121.06441	0.5
126.03107	0.2
127.03856	1.2
129.05434	0.4
139.03918	0.6
145.04964	1.1
151.03874	0.7
151.07533	0.6
153.01802	5.2
153.03043	0.3
163.03931	0.3
165.01817	0.8
177.05484	0.3
196.04541	0.2
201.05435	0.4
203.03253	0.3
211.03896	0.2
217.04936	0.3
218.05624	0.2
221.53458	0.2
228.04179	1.2
229.04956	2.1
230.05438	0.2
231.02655	0.3
245.04367	0.4
246.05180	1.6
247.02443	0.2
257.04364	2.2
260.02942	0.3
261.07495	0.3
273.03955	1.6
274.04706	3.7
283.80872	0.2
284.03174	0.2
285.03885	3.6
287.05408	0.5
287.81741	0.2
288.05887	0.5
289.06091	0.3
302.04184	11.0
303.04645	0.6
317.06497	100.0
318.06873	3.6
463.12341	4.0
464.12668	0.3
624.33948	0.2
625.25488	0.4
625.34576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85311	1.7
53.03932	5.3
55.01855	8.1
55.05506	62.0
57.03429	7.0
65.03947	2.6
67.05498	46.4
67.15323	1.8
69.03417	4.2
69.07054	22.0
70.69031	1.8
71.04985	4.4
79.05486	39.7
81.03412	4.9
81.07050	53.9
81.07496	3.5
83.04988	7.9
83.08609	35.3
85.06537	3.6
91.05476	47.8
93.07032	45.1
93.07587	2.9
95.04955	27.3
95.08604	36.9
97.06538	5.9
97.10149	11.1
99.08084	2.6
103.05466	2.6
105.04524	4.0
105.07019	40.3
107.04929	10.6
107.08584	23.2
109.06519	7.3
109.10144	16.6
111.04439	2.7
111.07389	1.8
111.08105	6.0
117.07005	20.0
119.08584	33.4
121.06519	4.3
121.10146	18.7
123.08095	4.1
123.11766	3.7
125.09642	8.0
128.06230	7.7
129.06961	16.6
130.07864	2.5
131.08563	28.1
133.10118	25.3
135.08070	4.2
135.11630	9.9
137.09618	3.2
137.13246	1.9
139.11174	2.4
141.07007	6.2
142.07791	3.4
143.08566	18.5
144.09396	1.9
145.10104	29.2
147.08049	4.5
147.11699	16.6
149.09628	7.9
149.13264	3.9
155.08513	11.3
157.10139	15.1
159.08119	2.8
159.11652	19.3
161.09651	2.7
161.13251	11.8
163.11163	8.9
167.08636	4.5
168.09338	2.3
169.10071	10.6
171.11639	15.7
173.09506	3.1
173.13222	11.9
175.11224	3.7
175.14841	3.8
177.12790	2.2
181.10176	9.0
183.11597	15.6
185.09541	2.3
185.11786	2.9
185.13196	10.8
187.14839	5.6
189.11180	2.8
189.12782	3.0
193.10223	3.6
195.11736	4.3
197.13293	7.3
199.14865	6.7
201.16360	3.8
207.11816	2.8
209.13266	6.1
211.14844	5.5
213.12782	3.5
213.16371	4.3
221.13300	3.3
223.13141	3.4
223.15018	3.2
225.16507	2.3
235.14897	2.8
237.16348	3.5
239.18030	4.4
241.15935	2.7
241.19472	9.8
257.19055	6.6
259.20544	16.6
270.98560	3.5
273.15771	2.1
273.18524	8.6
275.20071	18.4
293.21222	6.0
311.23499	2.4
312.43640	2.1
315.23373	5.2
333.24280	8.8
335.25745	2.5
349.23611	10.9
379.30362	2.2
381.31662	2.0
393.04050	1.7
407.29465	2.2
421.30734	2.1
423.32623	6.6
481.33276	2.5
497.36710	5.2
499.34061	11.7
513.35754	3.1
515.38416	5.3
533.40247	5.5
551.40942	5.0
555.36359	2.8
589.42639	2.7
607.43439	24.7
625.26837	31.1
625.44592	100.0
626.26807	2.8
626.45081	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.8
55.01864	20.6
55.05507	33.6
57.03434	8.8
57.07077	3.5
57.47632	1.6
60.17132	1.4
65.03945	3.2
67.05496	77.2
69.03442	2.0
69.07061	48.8
70.96845	1.4
71.04999	5.5
74.87137	1.4
75.91782	1.5
77.03928	1.7
79.05483	66.4
80.90435	1.3
81.03411	10.1
81.07047	90.1
83.04961	8.7
83.08611	15.9
85.02907	1.7
85.06563	4.4
91.05468	59.8
93.07036	57.8
95.04955	23.7
95.05494	1.4
95.08598	45.7
95.09210	2.3
97.06520	19.4
97.10159	9.2
98.23500	3.7
99.04435	1.4
99.08109	4.1
103.05484	3.0
105.04549	4.4
105.07015	52.6
107.04949	14.1
107.08584	33.5
109.06515	13.0
109.10146	19.3
109.10763	1.5
111.04446	4.3
111.08093	6.1
111.11765	2.0
111.89980	1.3
115.05460	3.9
117.07002	22.7
119.08566	49.5
119.09397	2.9
121.06480	8.1
121.10139	24.7
121.14186	1.5
123.08073	7.9
123.11731	5.1
125.09613	8.9
128.06273	5.4
129.06993	17.9
130.07750	3.4
131.08556	37.0
131.09546	2.3
133.06523	4.4
133.10112	29.7
135.08083	6.4
135.11700	15.4
137.09602	7.1
141.07005	5.9
142.07747	3.9
143.08522	14.8
145.06522	5.0
145.10110	34.5
145.11176	2.0
147.07986	9.0
147.11676	19.5
147.80615	1.7
149.09612	7.3
149.13322	6.3
151.11230	2.6
153.06999	1.8
154.07884	1.7
155.08562	9.3
157.06523	1.9
157.10118	18.8
157.11218	1.8
157.27145	1.3
159.08127	3.4
159.11679	19.4
161.09596	8.8
161.13231	9.4
163.11206	9.2
165.09181	2.8
165.12836	3.0
167.08662	4.1
168.09375	1.5
169.10112	10.9
171.08093	2.3
171.11655	18.6
172.12433	1.9
173.09665	1.5
173.13219	12.2
175.11255	4.5
175.14943	5.4
177.12813	4.9
177.16382	1.3
179.14374	4.2
181.10168	6.1
181.12312	2.6
183.11679	10.7
185.09587	2.6
185.13228	10.6
186.13637	1.6
187.11267	2.9
187.14868	6.3
189.11195	4.4
189.12724	2.6
193.12224	3.7
195.11794	5.1
195.13623	2.1
197.13196	8.2
199.11267	3.2
199.14841	5.8
201.12810	2.4
201.16457	2.3
205.10251	1.7
205.12306	2.0
207.11794	1.8
209.13301	5.1
211.14873	3.0
213.16508	4.2
215.18028	3.3
221.13359	2.8
223.13144	2.7
223.15077	2.7
225.16412	3.4
227.12784	2.5
227.18059	4.4
235.14912	1.9
237.16586	3.9
239.18066	4.9
241.19513	8.5
243.21185	2.3
245.19148	4.6
255.17540	4.6
257.19101	6.8
259.20496	11.2
261.22131	2.9
273.18475	42.8
273.21326	2.6
275.20059	33.2
275.22849	2.1
277.21844	4.6
291.19547	29.6
291.22635	2.3
293.21143	3.5
294.61545	1.7
301.25272	1.4
309.20767	1.9
315.23242	3.1
319.19046	1.6
331.22824	1.6
333.24246	12.1
335.25800	14.6
340.68060	1.7
347.22086	8.8
349.23685	15.6
388.63220	1.8
419.33191	1.6
435.32983	3.2
437.34158	8.1
473.34009	1.8
487.39789	1.8
493.37167	2.0
499.34460	1.6
501.35641	2.5
511.37653	4.7
513.35797	4.6
515.38837	5.3
527.37299	7.6
529.39087	4.4
533.40027	9.7
551.41071	5.2
555.37115	4.0
589.42310	2.5
607.43494	38.9
608.43933	2.9
625.44678	100.0
626.44757	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01874	13.4
55.05505	48.4
57.03440	9.2
57.07058	4.9
61.94941	2.2
62.56979	2.4
65.03940	5.9
67.05497	68.2
67.05857	3.2
69.07059	27.0
69.59710	7.7
69.60048	3.0
70.06591	2.4
71.04993	3.6
71.70266	2.0
79.05483	51.0
81.03431	6.1
81.07047	70.9
83.04968	7.9
83.08606	28.0
83.86788	1.9
85.06536	5.0
91.00233	2.1
91.05472	53.9
93.07027	51.5
95.04963	21.6
95.08594	44.9
97.06517	13.0
97.10165	9.4
99.08079	4.2
103.05492	3.3
105.04471	2.1
105.07012	45.1
107.04932	10.6
107.08588	31.4
109.06499	10.8
109.09382	3.3
109.10122	22.4
111.04423	3.3
111.08070	8.4
113.09633	5.0
115.05465	4.4
117.07008	24.1
119.08570	46.6
121.06573	5.5
121.10149	18.9
123.08051	7.0
123.11690	5.4
125.09621	6.5
128.06245	3.1
129.06984	17.5
131.08553	32.0
131.09451	3.3
133.06499	3.4
133.10101	26.3
135.08080	4.6
135.11673	13.3
137.09590	3.4
139.11140	2.9
141.06992	8.0
142.07790	4.3
143.08554	22.6
144.21045	2.4
145.06390	2.9
145.10104	29.7
147.08060	2.7
147.11652	19.3
149.09590	11.6
149.13226	4.5
151.11159	2.9
153.06949	3.7
155.08548	15.2
157.10126	18.1
159.08018	2.8
159.11655	20.7
161.09639	6.4
161.13243	10.5
163.11188	9.1
165.12747	4.2
167.08661	2.8
169.10114	16.0
171.11664	17.4
173.09637	4.0
173.13269	10.0
175.11172	4.1
175.14833	5.5
179.08531	3.2
180.09138	2.6
181.10112	8.1
183.11652	14.6
185.13217	14.0
187.11162	3.9
187.14801	4.6
189.11168	3.1
192.09221	2.5
193.10107	2.9
195.11685	8.6
197.13280	9.3
199.14845	9.5
201.16342	3.6
207.11690	5.4
209.09621	3.1
209.13252	6.1
211.14862	8.2
221.13260	3.7
225.16415	5.5
227.12766	3.7
227.18054	3.4
229.14316	3.1
229.19525	3.1
235.14743	2.9
237.16315	4.0
239.17998	4.0
241.19557	6.9
257.19031	10.6
259.20560	15.1
262.87177	2.3
273.18451	15.7
275.20105	20.1
277.21564	10.1
291.19516	2.8
293.21127	3.7
315.22897	3.8
333.20569	3.6
333.24249	10.9
335.25775	4.3
347.22269	6.3
349.23804	15.8
359.03601	2.3
377.29736	2.4
379.30051	3.0
389.28476	2.8
417.31317	2.5
423.32571	4.9
430.52942	2.4
435.32327	3.0
461.32983	2.5
497.36664	3.4
499.34000	8.6
513.35559	8.2
515.38367	9.7
527.37231	6.4
533.40045	13.0
539.37543	2.7
551.40399	5.6
553.38428	4.3
567.39795	3.1
584.45135	2.5
607.43536	38.2
608.43237	3.5
625.44708	100.0
626.44775	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88369	2.6
52.26735	2.8
53.03940	7.8
55.01864	19.7
55.05507	34.9
57.03421	12.4
65.03935	5.0
66.95634	3.0
67.05155	4.7
67.05498	76.9
69.03404	5.6
69.06710	3.7
69.07062	48.7
71.04985	4.8
71.08588	4.1
71.28202	3.5
77.03934	2.7
79.05481	79.1
81.03408	6.0
81.07043	100.0
83.04973	9.1
83.08607	16.6
85.06518	6.9
85.29509	2.9
91.05463	67.9
93.07034	65.7
95.04948	22.5
95.08596	48.0
97.06520	22.1
97.10159	6.1
105.07018	52.7
107.04913	15.2
107.08588	30.5
109.06506	22.3
109.10133	19.5
111.08041	4.2
115.05440	3.3
117.06996	25.1
119.08555	48.7
121.06509	8.0
121.10145	19.7
123.08073	10.6
123.11681	6.6
125.09608	9.7
128.06187	5.1
129.06981	13.8
131.08554	40.2
133.10101	29.0
135.08023	3.4
135.11633	9.2
137.09584	4.1
141.06943	3.6
142.07697	3.8
143.08531	21.4
145.10101	26.7
147.07988	7.1
147.11684	19.5
149.09563	9.6
149.13239	7.8
155.08559	13.7
157.08975	2.9
157.10149	17.7
157.11192	3.1
159.11678	21.6
161.09578	6.1
161.13213	13.0
163.11148	7.0
163.14859	3.0
167.08578	3.0
169.10089	13.0
171.11662	12.9
173.13271	11.8
175.11182	3.4
175.14775	4.0
181.10040	6.7
183.11650	8.2
185.13228	12.3
187.14774	5.3
189.11197	6.4
193.10139	3.1
195.11627	7.1
199.14732	5.0
207.11554	4.9
209.13348	6.4
211.14725	4.3
213.16379	3.9
221.13075	3.2
223.14902	3.7
225.16389	3.2
237.16426	3.9
241.19443	7.4
257.19003	3.4
259.20551	10.9
260.67545	2.9
273.18512	22.7
275.19992	21.1
291.19550	31.9
317.24664	3.5
333.24170	14.4
335.25674	11.5
347.22009	9.9
349.23627	8.8
365.28836	3.3
426.86957	3.8
437.33820	5.3
446.96515	4.5
513.36066	3.9
527.38202	2.9
533.39661	4.1
551.40375	5.8
607.43555	24.8
625.44482	75.2
626.44690	5.7
631.46027	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	626.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.7
56.05013	0.9
58.06593	9.6
67.05490	0.9
71.04984	1.8
71.86994	0.6
72.08164	3.5
79.05467	1.3
81.07062	0.9
85.02925	0.7
91.05480	3.7
93.07060	1.1
95.04961	1.2
103.05454	7.2
105.03378	1.0
105.07047	2.7
107.04980	0.9
108.08137	3.4
111.10528	0.6
117.07009	1.4
121.06501	0.9
122.09650	1.7
124.11226	1.1
128.06223	1.2
129.07021	2.8
131.04913	10.4
131.08571	1.8
133.06500	0.7
133.10133	0.8
135.04454	1.0
137.05995	0.9
141.06943	0.7
143.08565	1.3
145.06483	1.0
145.10121	0.9
148.11221	1.0
154.12253	1.5
155.08562	1.8
156.19629	0.6
161.05998	0.8
162.12750	0.9
165.07051	1.1
166.07869	0.8
167.08521	1.7
169.10056	0.9
174.12761	0.8
179.08511	0.9
181.10170	1.1
185.09613	0.8
186.12846	0.7
193.10107	1.1
195.11739	0.8
202.08067	0.6
203.08588	1.1
205.10123	1.1
216.09355	0.9
219.11777	1.5
220.17006	2.0
221.09671	1.1
231.11725	0.9
249.12764	1.4
288.45819	0.7
292.16666	0.6
322.17941	1.1
336.19641	0.9
354.20578	1.6
358.23853	1.5
368.22235	1.6
382.20032	1.3
386.23230	1.8
396.21603	3.8
404.24374	0.9
414.22650	1.0
428.24387	7.5
446.25311	20.1
446.31293	1.3
447.25702	1.1
452.31400	0.7
460.26587	1.0
478.27908	18.4
479.28302	0.8
626.33185	100.0
627.33527	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	626.3315
Annotation	Rhizoxin
Peak:m/z	Relative Intensity
51.02377	0.6
53.03950	0.8
55.01875	0.6
55.05507	0.4
56.05030	2.4
58.06593	6.3
67.05507	0.9
69.03421	0.2
69.66783	1.1
70.06580	0.4
70.30859	0.2
71.04995	0.5
72.08156	1.1
76.08766	0.3
77.03931	0.5
79.05485	1.6
80.05021	1.0
81.03426	0.3
81.07051	0.8
82.06560	0.5
84.08141	1.5
85.02891	0.4
85.06532	0.3
88.07637	0.4
91.05473	3.6
93.07030	1.4
94.06582	1.0
95.04942	3.5
96.08112	0.7
98.09720	0.4
102.09192	0.8
103.05479	0.5
105.03376	18.1
105.04526	1.3
105.07017	1.7
107.04943	3.1
107.08611	0.4
108.08102	5.9
109.06533	0.3
110.09685	0.9
111.04458	0.9
115.05454	1.1
116.55109	0.3
117.07001	1.9
119.04916	1.3
119.08588	0.4
121.06522	1.1
121.08887	1.3
122.09654	10.8
123.04408	0.5
124.11260	1.1
128.06206	1.3
128.10675	0.3
129.06976	3.3
131.08551	2.0
133.06541	0.5
133.10126	0.4
134.09634	0.3
135.08003	0.5
137.05975	0.4
141.06944	1.9
142.07834	0.4
143.08548	2.3
144.08122	0.5
145.06522	0.7
145.10165	0.6
146.09671	0.6
147.08043	0.6
152.06198	0.4
152.10814	0.3
153.07016	1.1
154.07776	0.8
154.12294	0.7
155.08519	3.4
155.09630	0.4
157.06506	0.5
157.08949	0.4
157.10167	1.1
158.09619	1.3
159.08090	0.8
159.11705	0.3
160.11308	0.4
165.06976	1.9
166.07791	0.8
167.08539	2.3
168.09302	0.5
169.06490	0.5
169.10100	1.7
171.08032	0.5
171.10387	0.4
172.11232	1.2
173.09691	0.5
174.12764	0.5
178.07819	1.0
179.08546	1.8
180.09351	0.5
181.10071	1.2
183.08046	0.5
183.11772	0.4
184.11290	0.8
185.09641	0.6
185.12054	0.4
186.12692	1.4
187.13593	0.7
188.14406	0.6
191.08601	0.8
192.09447	0.9
193.10155	1.1
195.08000	0.4
195.11749	0.9
197.09615	0.3
198.12802	0.7
199.13657	0.5
200.14464	0.5
202.07826	0.5
203.08612	0.8
204.09210	0.5
205.10051	1.3
207.07988	0.4
207.11717	1.0
209.13333	0.4
212.14369	0.6
213.15160	0.4
215.08582	0.7
216.09377	0.5
217.10155	0.8
218.11073	0.6
219.11780	0.6
221.09767	0.5
221.13324	1.1
223.11285	0.8
228.09370	0.7
229.10382	0.4
230.11005	0.5
231.08076	0.3
231.11713	1.0
233.13341	1.0
234.10434	0.3
235.11148	0.6
235.15016	0.4
237.12834	0.3
242.11955	0.5
243.11588	0.5
244.13310	1.3
245.13206	0.6
249.12868	1.1
251.14380	0.4
260.14468	0.3
261.12769	0.5
263.14236	0.6
276.17334	0.5
278.15512	0.6
278.18991	0.3
288.17590	1.0
294.18533	0.3
306.18417	1.9
324.19714	0.5
338.17517	0.4
340.19019	0.4
366.20526	4.0
370.20193	0.5
380.22061	0.3
382.20328	0.4
398.23163	3.4
416.24539	0.5
428.22519	0.7
462.22855	0.4
472.26996	0.5
476.24033	0.5
486.28448	0.5
488.24246	7.1
490.28018	0.4
502.25821	0.5
504.23972	1.2
506.25360	0.6
520.26794	6.6
521.27051	0.5
538.27942	4.7
576.29755	0.9
608.32025	4.2
626.33307	100.0
627.33997	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	626.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72533	0.4
53.03923	0.6
56.05030	1.4
58.06593	4.8
59.05016	0.4
65.03930	0.4
67.05500	1.0
69.15417	2.6
71.04988	0.9
72.08140	0.8
75.04492	0.5
77.03931	0.4
79.05495	1.6
81.07050	0.7
84.08123	0.7
86.06083	0.5
88.07603	2.3
89.46701	0.4
91.05473	3.8
93.07054	1.0
94.06579	0.5
95.04972	1.8
96.08135	0.4
97.06485	0.4
98.23521	0.8
101.05973	0.4
103.05459	1.3
104.92865	0.4
105.03375	8.5
105.04478	0.9
105.07005	2.3
105.66927	0.4
107.04952	0.6
107.55979	0.4
108.08102	4.5
109.06535	1.1
115.05464	0.9
116.06223	0.4
117.06982	1.8
119.08536	0.5
121.06525	1.6
122.09654	2.4
127.41992	0.4
128.06201	0.6
129.06961	2.5
130.06583	0.4
130.08652	0.9
131.08560	1.6
133.06467	0.7
134.09607	0.9
135.08005	2.1
136.07562	0.6
138.09152	0.6
141.06993	1.3
142.07788	0.4
143.08571	1.3
145.06430	0.5
145.10098	0.4
146.09628	0.5
147.08067	1.5
148.11168	0.5
150.09180	0.4
152.06180	0.5
152.10750	0.6
153.06982	1.1
154.07710	0.6
154.12206	0.5
155.08525	2.1
157.10049	0.5
158.09656	1.2
159.08051	0.8
160.11198	0.6
163.07523	0.4
165.07004	1.4
166.07820	0.9
167.07277	0.7
167.08487	2.0
169.10054	1.0
171.10423	0.5
172.11290	1.1
173.09639	0.5
173.11868	0.5
174.12798	0.7
176.10818	0.4
177.09138	1.2
178.07814	1.6
179.08536	1.9
181.10136	1.4
182.09518	0.4
183.08075	0.6
184.11131	0.6
185.09654	0.9
188.10632	0.6
190.07889	0.4
190.12376	0.4
191.08621	1.4
192.09322	1.0
193.09995	0.7
193.88332	0.4
195.07971	0.5
197.09668	0.8
198.12796	0.7
199.11256	0.6
200.14403	0.4
202.07826	1.1
203.08546	1.7
204.09395	0.9
205.10144	1.7
206.11742	1.8
207.11763	1.3
208.11215	0.4
209.09586	0.4
211.11221	0.6
215.08727	1.0
216.09306	0.9
217.10149	1.3
218.11029	0.6
219.11688	1.4
221.09676	0.4
223.11243	0.4
228.09390	0.6
231.11714	1.5
233.13292	1.2
235.11259	0.5
237.12767	0.5
243.11781	0.8
245.13306	0.7
249.12827	1.0
260.14178	0.6
262.15961	0.7
263.14337	1.1
264.13904	0.6
274.15848	0.4
278.15472	0.6
280.17203	0.5
288.17526	1.1
294.18591	0.8
306.18460	1.3
310.18091	0.5
320.16693	0.5
320.20132	1.2
322.18094	0.4
324.19559	0.5
338.17593	0.6
338.21179	0.7
352.18933	0.7
366.20724	1.1
370.20276	0.5
380.22226	3.2
382.24039	0.5
384.21719	1.4
389.45880	0.4
396.21893	0.6
398.23264	0.9
408.21497	0.7
412.24811	2.9
430.25858	0.5
440.24228	8.4
444.23468	5.2
445.24240	0.6
446.25418	0.5
472.26886	34.6
473.27115	1.9
478.27954	0.5
485.50977	0.5
504.29492	26.5
505.29922	1.6
520.27332	0.6
626.33167	100.0
627.23590	0.8
627.33594	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10052	5.2
53.03941	6.4
55.01863	25.1
55.05510	55.5
55.45523	5.2
57.03429	20.7
67.05499	57.6
69.07085	28.1
79.05482	62.8
81.03409	33.3
81.07047	98.4
82.39774	6.1
83.01325	6.4
83.04979	31.7
83.08600	34.4
85.02888	11.0
85.06519	6.3
91.05466	53.1
93.07044	62.4
95.04938	28.7
95.08587	20.1
96.07092	5.9
96.07786	6.8
97.06518	13.7
97.10139	34.0
99.04460	5.9
100.27557	6.1
105.07024	47.1
107.04939	26.2
107.08561	35.9
109.06496	19.5
109.10125	17.8
111.04436	17.3
111.08053	9.6
117.06998	21.2
118.37412	5.7
119.08552	32.3
121.06488	15.0
121.10133	16.7
123.08089	32.2
125.09616	25.4
129.07011	17.1
131.08553	22.6
133.10069	20.9
135.08054	9.2
135.11688	14.6
137.09657	13.4
140.41078	5.4
143.08533	7.6
145.06445	6.9
145.10117	30.1
147.08018	15.8
147.11665	11.0
149.09589	6.4
153.12769	10.5
155.08521	6.1
157.10075	10.6
161.09610	15.1
163.11189	44.7
165.09106	6.5
173.09650	8.6
174.45233	6.5
175.11107	9.5
181.12338	11.5
189.11205	16.0
191.10646	6.7
193.12236	22.1
205.80060	6.6
209.11638	12.9
211.13295	15.8
223.64690	5.7
227.12659	28.2
267.15924	7.8
273.18384	29.8
283.15359	100.0
285.16968	14.8
289.18008	9.3
291.19516	70.9
309.20599	9.8
347.22177	11.4
365.23145	31.5
381.22598	17.1
383.24106	8.0
555.32837	8.1
573.34406	34.7
591.35431	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	627.155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98663	0.2
57.03424	0.4
59.06259	0.2
61.02916	3.5
62.11092	0.2
62.86419	0.2
63.49939	0.2
68.99796	0.3
69.03412	0.9
70.06560	0.3
70.43520	0.2
70.43842	0.4
71.04946	0.3
73.02890	0.7
81.03413	0.3
85.02896	4.0
91.03937	2.0
93.03381	0.3
97.02863	2.2
99.04394	0.3
108.08076	0.2
109.02879	0.6
110.83186	0.2
111.00780	0.9
115.03896	0.2
120.08105	0.4
121.02826	0.8
123.04411	0.2
123.88835	0.2
127.03898	1.4
137.02330	2.6
138.09155	1.3
145.04912	0.7
149.02321	0.5
153.01804	2.8
163.03908	0.5
163.99309	0.2
165.01775	1.4
173.05917	0.3
177.05431	0.3
183.02812	0.6
201.05464	1.2
229.04912	3.1
246.05037	0.3
247.05972	0.4
257.04333	1.9
274.04663	0.7
285.03925	0.9
303.04932	100.0
304.05298	2.8
308.15607	0.2
345.05911	0.3
437.19315	0.3
447.17886	0.3
465.10281	7.8
465.18079	0.7
466.10538	0.4
619.95819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81464	0.2
53.03923	0.5
55.01860	0.5
57.03428	0.8
58.94109	0.1
61.02924	1.0
65.03946	0.2
68.99787	0.5
69.03417	2.7
70.73975	0.2
71.04983	0.2
73.02903	0.3
81.03400	1.2
85.02892	6.3
85.03413	0.3
87.04453	0.2
91.03934	0.3
93.03403	0.3
94.86946	0.2
97.02879	2.3
99.04451	0.5
107.04977	0.2
109.02868	1.0
111.00792	1.1
120.08076	0.4
121.02856	1.1
121.74290	0.2
123.04393	0.3
126.66836	0.1
127.03889	1.2
137.02310	2.7
137.03343	0.3
138.09111	0.9
145.04933	1.3
149.02379	0.4
153.01796	3.3
155.04953	0.2
161.05869	0.2
163.03867	0.5
165.01822	2.0
165.19228	0.2
166.02625	0.3
173.05896	0.3
175.41689	0.2
183.02948	0.7
183.04343	0.3
187.03860	0.3
195.02898	0.2
199.40579	0.2
201.05441	1.6
205.04921	0.2
219.06509	0.2
229.04950	3.5
240.60330	0.2
247.05986	0.7
257.04379	2.5
274.04761	0.8
285.03848	1.2
286.04654	0.2
303.04932	100.0
304.05273	3.5
345.05978	0.4
354.64880	0.2
407.61331	0.2
437.18521	0.2
447.17361	0.2
465.10226	5.6
465.17801	0.3
466.10217	0.2
627.31348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43264	0.8
51.02367	1.5
53.03929	3.2
58.06594	100.0
63.43366	0.8
67.05466	1.1
69.60999	1.0
69.61343	2.8
70.77270	0.7
72.08130	1.6
77.03894	1.7
79.05473	1.8
81.07009	1.5
81.23525	0.8
91.05447	2.5
95.04424	1.0
95.04958	15.5
105.03383	87.9
105.04402	7.3
105.06967	2.0
106.03675	1.7
108.08075	1.2
111.08059	2.1
117.06983	1.4
119.08546	1.0
131.04863	1.4
131.08450	1.0
138.71352	0.9
141.06917	0.9
158.09511	1.8
167.08412	1.2
174.09033	1.2
179.08507	1.9
181.09978	0.9
186.12741	1.1
191.08482	1.7
193.06395	3.6
195.11530	1.1
205.06427	1.3
207.07941	2.9
208.08627	0.9
216.09528	0.8
221.05859	3.4
221.13409	0.8
222.06531	1.8
223.07419	3.0
226.04880	2.6
235.05287	1.0
235.07497	14.8
237.05392	1.3
238.03990	1.4
238.06190	18.0
239.06703	1.6
249.05396	2.2
250.09781	0.9
251.06941	3.5
252.07582	2.9
253.08553	5.9
256.06143	1.1
263.06992	13.3
264.07654	1.5
265.08502	1.8
266.05478	2.4
267.10104	2.6
279.06488	6.1
280.07037	1.1
281.08057	49.9
282.08420	2.6
294.18567	1.0
295.09692	5.6
296.06766	4.3
296.10358	44.5
297.07382	1.0
297.10809	2.7
311.09033	8.1
358.23599	0.9
377.07559	0.9
383.20322	1.3
386.22971	3.5
399.11923	1.7
400.12991	5.4
401.13333	3.0
428.23288	1.0
429.24405	2.0
446.25177	1.4
447.25391	2.7
477.13693	1.8
477.24246	1.4
479.27762	2.9
504.23630	1.6
505.23801	2.5
508.26486	3.4
518.12079	1.2
536.26086	1.1
548.27460	0.9
550.07361	1.0
550.14990	14.8
551.14844	1.3
552.16296	1.6
567.25830	1.0
568.15741	1.2
568.29279	4.9
569.15833	1.1
582.17480	8.0
584.18701	1.2
595.20819	1.1
627.22729	90.9
627.31744	5.1
628.22919	4.8
628.31683	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
56.05026	1.2
57.07091	0.6
58.06591	100.0
58.32635	0.6
59.06910	0.8
65.03917	1.3
67.05495	1.5
69.03421	0.8
69.78532	1.4
69.78918	2.0
72.08136	1.5
74.76401	0.6
79.05490	1.7
81.07051	3.2
91.05468	2.0
93.07031	1.0
95.04968	2.0
95.08580	0.8
105.03340	3.9
105.04467	0.7
105.07037	1.7
108.08109	1.1
109.06508	1.4
109.10123	0.8
110.49189	0.8
117.07079	1.0
119.08590	1.1
121.02846	32.3
121.06466	0.9
122.09644	1.2
123.04392	0.6
123.08086	0.8
128.06265	0.7
129.06932	0.7
131.08556	1.0
133.10115	0.7
135.08080	1.2
148.68732	0.7
152.03438	2.7
164.78352	0.6
166.04994	1.7
179.08659	1.7
189.06792	0.6
193.06535	1.7
207.08066	2.5
217.10170	0.8
219.08139	1.1
221.05942	1.9
223.07556	1.5
225.68922	0.8
234.06616	1.0
235.07466	9.3
237.05537	0.9
238.06229	11.6
242.22733	0.6
249.05464	1.6
251.07127	2.1
252.07829	2.6
253.08557	3.5
263.06924	9.0
264.07932	0.8
266.05817	1.1
267.10071	1.6
275.20129	1.2
279.06497	6.7
281.08047	29.4
282.08798	1.2
295.09576	4.4
296.06931	2.1
296.10349	28.2
297.10989	1.6
299.09485	1.1
310.08682	1.3
311.09067	6.0
327.08887	1.1
349.23611	2.9
355.08359	1.0
363.28409	0.7
367.24612	1.2
370.10608	2.4
387.10889	3.8
398.10251	2.7
402.13272	6.8
412.24805	0.8
415.11066	1.4
416.11600	1.1
417.11938	3.9
427.23203	1.5
430.12790	11.2
431.13370	1.1
432.14282	0.9
444.14404	2.4
445.15521	1.4
447.13101	1.9
462.15472	8.9
472.26395	1.0
492.29468	1.2
505.29797	0.9
507.21100	14.0
508.27515	1.2
550.15039	5.1
552.16473	0.9
556.54858	0.8
582.17389	6.6
626.33032	2.3
627.23157	89.4
627.32904	15.5
628.23456	8.0
628.34229	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	627.2804
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03940	0.9
55.01860	1.5
55.05497	1.9
64.48029	0.8
67.05495	3.6
69.07063	1.9
71.43569	0.7
79.05484	3.4
81.03429	1.1
81.07044	4.5
83.04967	1.4
91.05463	4.4
93.07037	3.4
95.04965	2.4
95.08610	1.7
97.10097	0.9
99.35420	0.8
102.73866	0.7
105.07024	3.2
105.55550	0.8
107.04938	1.3
107.08575	2.6
109.06516	1.4
109.10176	1.5
117.07017	1.0
119.08552	2.5
120.04524	1.0
121.10136	1.3
125.09628	0.9
125.28814	0.8
129.07008	1.2
130.06496	0.9
131.07323	2.0
131.08521	1.3
133.10101	1.4
136.07571	2.2
138.09135	0.9
143.08592	1.2
145.10121	1.4
149.09648	1.4
152.60312	0.8
159.11612	1.0
160.11305	0.8
170.49149	0.7
172.07576	1.6
174.09077	5.3
182.09686	1.1
187.08604	1.8
187.12267	4.8
188.10727	2.2
190.04913	1.1
197.07007	1.0
197.10823	1.0
199.08646	1.0
211.08702	2.3
211.12431	1.0
212.09282	1.0
213.10287	1.0
215.11830	3.3
223.08719	1.2
224.09496	1.5
225.10052	4.6
227.11870	3.6
235.08603	1.2
237.10150	0.9
238.11176	0.8
239.11807	3.0
241.13373	2.4
243.11230	25.7
244.11815	1.1
247.98372	0.7
249.10149	1.7
251.11806	1.8
252.09047	1.7
253.09776	2.3
263.11789	1.2
265.09668	1.4
267.11264	8.9
269.12875	3.3
273.18417	0.9
275.20081	1.0
277.09781	3.2
279.11249	1.1
283.14780	1.2
285.12369	3.1
290.13022	1.0
291.11182	1.6
291.19589	1.2
293.12701	1.2
295.10730	3.9
299.14093	2.2
300.11728	0.9
301.12305	1.4
301.15344	4.9
309.12216	1.3
314.12894	2.7
315.13739	1.0
316.10626	1.6
316.14359	1.3
317.11777	1.6
319.10727	1.8
325.15424	8.9
327.13364	7.4
328.10785	2.5
328.14252	1.6
329.11551	2.4
330.12436	3.0
331.13153	1.3
334.15530	1.3
342.12357	3.8
342.16107	1.0
343.12997	3.9
344.14127	4.0
344.17798	1.3
345.14694	2.7
346.15338	2.1
348.13406	3.1
351.13223	1.6
354.16370	0.9
355.13306	1.7
356.13962	3.4
357.14792	1.9
358.15518	3.3
359.16037	1.3
360.17194	1.0
370.15613	2.8
371.16241	1.3
372.16998	3.7
374.14880	1.0
384.13010	1.2
384.17319	1.6
386.14832	2.5
386.18744	2.7
400.16586	3.1
403.16507	1.1
404.15820	1.1
405.17166	1.1
407.15366	1.1
408.16504	1.1
416.15814	1.1
417.17422	1.5
418.16937	1.2
419.18967	1.1
420.17184	1.0
421.16769	1.0
422.17822	1.3
430.17563	1.5
431.18579	2.3
432.19272	4.1
435.13992	1.3
435.18942	1.1
437.19821	2.1
444.19104	1.0
446.15143	1.1
447.22086	2.5
448.20120	1.7
449.15421	1.0
449.20618	1.0
450.15991	1.3
450.21570	1.2
451.17371	1.7
460.18716	1.7
461.23636	1.7
462.24182	1.5
463.21982	4.2
464.18045	1.9
465.18549	12.8
466.19366	1.5
475.17868	1.2
476.19061	1.1
477.19763	1.4
478.19971	1.1
479.20502	8.9
480.21307	4.0
481.22165	3.1
489.22781	1.7
490.21899	1.9
491.20691	2.3
492.21310	4.6
493.22952	5.2
502.13306	0.9
504.21448	2.9
505.21268	1.3
506.23657	1.6
507.24011	5.2
508.20889	1.5
517.22229	2.4
520.20703	1.4
521.25385	1.1
535.23407	7.0
539.26514	1.2
541.23981	1.2
549.24988	12.7
553.24243	3.6
559.55310	1.0
567.25897	76.1
568.26276	3.5
577.24255	2.3
595.25385	56.3
596.25787	3.0
609.27069	1.5
613.26587	1.4
627.27979	100.0
628.28290	5.2
628.51447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03936	3.8
53.38918	1.4
53.99874	1.3
55.01870	10.0
55.05504	38.9
55.05774	1.9
57.03445	8.4
57.07077	3.5
65.03934	4.4
67.05495	76.6
69.03432	3.5
69.07060	33.7
69.23694	5.8
69.24091	3.0
71.04992	7.0
71.08633	3.2
76.14260	1.4
77.03908	3.2
79.05484	73.8
80.05833	1.6
81.03427	4.5
81.07047	77.7
83.04961	15.1
83.08608	28.3
85.02908	4.4
85.06557	3.3
89.06040	3.7
91.05470	50.7
91.08433	1.4
92.83546	1.5
93.07032	81.7
95.04338	1.6
95.04955	54.0
95.08595	54.9
97.06530	8.6
97.10157	12.1
99.04416	7.8
99.08093	4.1
105.04523	4.2
105.07016	42.7
107.04969	8.2
107.08579	51.1
109.06511	11.0
109.10143	23.0
109.10865	1.6
110.51898	1.8
111.04435	15.5
111.08085	8.8
111.08752	1.5
117.07012	15.2
119.06069	1.8
119.08562	31.9
121.06528	7.2
121.10123	37.2
123.08043	7.8
123.11733	6.5
125.09626	11.6
129.07024	5.7
131.08549	26.6
131.09427	2.0
133.08632	1.9
133.10098	23.7
135.08084	6.9
135.11678	22.8
135.12610	1.7
137.09637	3.5
137.13243	1.9
139.11188	3.6
143.08598	5.5
145.10100	24.0
147.08101	3.4
147.11662	17.7
149.09613	22.1
149.13254	7.6
151.11191	2.9
153.12758	1.7
157.10162	5.7
159.11664	15.2
159.12753	1.8
161.09653	2.8
161.13214	8.4
163.11163	21.8
163.14828	4.6
165.12767	3.0
167.10558	1.6
169.10159	4.5
171.10359	2.0
171.11636	7.1
173.12024	1.5
173.13220	9.1
175.11163	2.2
175.14851	2.5
177.12793	6.3
179.14282	2.4
183.11740	2.7
185.13284	3.4
187.11249	2.5
187.14813	3.3
189.11212	9.1
193.12180	2.2
197.13269	2.9
201.16402	3.1
205.12331	5.3
211.14975	2.4
219.17607	1.9
223.13260	53.6
227.12788	2.5
229.19542	2.1
239.18071	3.0
239.78197	1.7
241.19710	1.8
243.21146	2.4
247.20499	3.7
257.19006	8.8
259.20898	2.6
261.22238	7.1
273.18478	1.5
275.20013	64.6
276.20724	1.7
277.21683	3.1
293.21033	27.3
293.23898	2.0
317.24902	2.6
335.25797	16.7
349.23581	9.7
367.24649	2.0
515.36719	2.0
535.41620	3.0
553.42365	2.6
609.44934	12.7
616.45227	1.7
627.46216	100.0
628.46753	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	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.9
53.03941	3.1
55.01868	15.8
55.05507	53.2
57.03435	11.7
57.07055	7.2
58.32499	2.7
59.04469	3.5
60.56861	3.0
65.03936	5.1
67.05498	97.1
69.03425	3.3
69.07059	34.4
69.10541	20.5
69.75054	3.8
71.04990	7.7
72.59027	2.9
79.05482	97.6
81.03414	6.4
81.07047	100.0
81.19501	2.6
81.41808	2.7
82.54995	2.9
83.04986	13.4
83.08607	24.4
85.06534	5.7
85.32489	2.8
91.05466	67.9
93.06444	4.3
93.07034	88.0
93.07593	6.4
95.04960	48.8
95.08598	68.4
97.06520	17.3
97.10168	13.7
98.23486	6.9
99.04462	7.4
103.27650	3.0
105.07020	51.0
107.04967	13.9
107.08580	56.2
109.06492	12.5
109.10133	27.3
111.04442	10.1
111.08087	8.0
117.07017	20.6
119.08556	40.7
121.06477	7.0
121.10126	39.0
121.16045	2.8
123.11710	8.7
125.09631	12.8
126.04209	3.0
129.07010	9.9
131.08537	34.7
133.10109	28.4
135.08054	7.6
135.11659	20.7
137.09578	3.5
141.59914	3.2
143.08582	7.4
145.10109	37.3
146.10535	2.9
147.11658	19.5
149.09579	20.3
149.13292	12.3
155.08594	7.7
157.10153	8.7
159.03667	3.1
159.11688	20.2
161.13252	10.9
163.11148	17.2
169.10120	4.5
171.11703	7.9
173.13263	11.9
175.14821	6.3
177.12737	6.9
183.11676	7.6
185.13251	4.3
187.14789	6.6
189.11238	4.3
197.13223	5.8
199.14812	3.6
211.14906	3.8
213.16409	3.3
219.17519	4.6
221.84338	2.9
223.13257	26.4
227.12952	6.3
247.20631	3.4
257.19043	8.2
261.22192	5.3
275.20047	56.6
277.21826	3.9
293.20978	20.2
335.25983	19.1
349.23630	18.3
514.05511	3.2
555.40271	4.5
609.44995	26.2
627.46320	59.5
628.46399	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	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.2
55.01867	10.0
55.05506	57.6
57.03427	10.2
57.07074	7.1
65.03918	4.3
67.05496	97.2
68.90564	3.0
69.07063	32.5
71.04985	5.4
71.08625	5.3
79.05479	75.8
81.03417	3.7
81.07047	84.8
81.07496	6.3
83.04967	10.0
83.08607	33.2
91.05471	53.7
93.07030	68.2
94.31475	3.8
95.04959	31.4
95.08601	48.9
97.06512	9.1
97.10159	11.5
99.04403	3.6
99.08076	8.7
105.04508	4.7
105.07018	53.9
107.04968	9.9
107.08571	44.8
109.06503	8.6
109.10143	20.0
111.08070	10.8
113.09637	7.1
116.81787	3.0
117.07008	22.1
119.08576	39.8
121.10106	23.1
123.08078	5.3
123.11672	7.8
125.09596	8.0
129.06990	11.0
131.08560	34.3
133.10110	28.2
135.08041	5.5
135.11687	13.3
137.09523	4.8
139.11154	5.0
141.07004	3.8
143.08549	13.4
145.10115	30.1
147.11671	21.4
149.09631	13.8
149.13246	10.8
151.11278	4.8
153.09212	3.5
155.08543	9.2
157.10126	10.8
159.11644	19.9
161.13257	8.3
163.11214	9.6
163.14848	5.4
165.12761	8.3
169.10088	7.9
171.11714	10.4
173.13300	10.8
175.14696	6.1
183.11615	4.9
185.13252	11.0
185.28865	3.3
187.14807	6.6
189.11208	8.4
195.11703	4.9
197.13242	7.3
223.13310	11.0
229.38309	5.4
241.19453	7.9
243.21104	6.6
257.18759	5.3
259.20520	10.1
261.22098	11.1
273.18457	5.4
275.20059	34.1
277.21606	10.6
293.21097	13.1
295.22623	5.0
317.24872	6.3
333.24112	7.8
335.25714	16.4
349.23776	19.4
351.25443	8.1
460.75531	3.6
489.87509	3.5
499.34039	4.0
501.35284	5.9
513.35425	4.2
515.36627	4.5
517.39960	6.4
535.41156	9.4
553.42224	6.3
609.45093	48.6
627.46332	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69314	0.4
58.06585	1.9
58.32046	0.4
59.06916	0.4
67.05494	1.6
69.07064	0.5
69.15703	1.8
69.16116	1.3
79.05489	1.1
81.03380	0.7
81.07040	1.2
83.08619	0.8
88.37135	0.5
91.05472	0.6
93.07030	0.8
95.08606	0.8
95.60515	0.5
98.22712	1.1
105.03400	0.9
105.07023	0.9
107.08605	0.9
119.05022	0.5
119.08569	0.6
122.09662	0.6
123.08057	0.5
131.08562	0.7
133.10094	0.6
145.10117	0.5
148.91681	0.4
156.96538	0.5
163.11215	0.6
171.08017	0.5
185.05847	0.4
251.09636	0.7
263.09311	0.6
264.65915	0.4
275.20044	1.0
278.08041	0.9
279.09067	0.7
280.09647	1.3
281.10416	0.7
294.11172	0.7
295.11963	1.0
308.09152	1.5
309.09808	0.4
316.38766	0.4
322.10733	0.9
323.11456	1.7
338.13730	0.8
349.23703	1.4
353.16647	0.5
367.24832	1.2
402.13583	0.9
432.27112	0.6
442.25967	0.8
449.12585	0.6
460.26703	0.9
462.13098	0.5
463.14563	0.8
465.10373	0.5
475.14243	0.7
478.12103	0.6
480.14365	1.5
481.15018	0.6
491.13489	0.5
492.14468	1.4
492.29401	3.5
494.15930	1.0
496.13754	0.9
497.14716	1.3
506.15863	0.6
507.17010	0.8
508.13901	2.0
509.14584	2.0
510.15613	0.5
512.17017	0.7
521.15424	0.5
522.15460	2.4
523.16125	1.8
524.16571	1.7
525.14130	1.8
534.15216	0.5
535.15826	0.7
536.14404	0.6
537.17609	1.4
538.18927	3.7
539.20117	2.9
540.16376	5.2
548.17047	0.6
549.17047	0.5
550.15271	0.7
551.15912	1.0
552.17169	0.6
554.17725	3.9
555.18463	3.2
566.17914	2.1
567.18884	7.7
568.16693	2.0
568.28662	0.6
569.20966	2.6
570.21326	4.1
580.19385	1.2
582.17743	2.3
583.18250	6.4
597.19440	2.5
598.20605	52.2
599.20959	2.2
612.22156	1.3
613.22943	40.5
614.23193	3.2
628.25177	100.0
628.34424	11.7
629.25592	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	628.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75350	0.6
55.05476	2.0
65.32285	0.8
67.05461	2.6
69.07022	0.7
69.10522	4.9
79.05450	2.4
81.07001	3.0
91.05451	1.3
93.06986	2.2
95.04922	0.8
95.08562	1.3
97.10216	0.6
98.23446	1.3
105.06961	1.3
109.06452	1.1
119.08582	1.0
121.80301	0.7
131.08505	1.0
199.07494	0.9
202.06172	0.8
215.06868	0.7
217.08563	2.3
218.36258	0.8
231.10376	0.8
233.08292	1.0
235.09749	0.9
243.10101	1.7
245.08090	2.3
248.59802	0.9
249.07845	2.5
249.11411	1.0
250.08653	1.7
251.09496	2.1
252.10342	3.6
260.10391	7.0
262.08615	1.2
263.09396	1.4
264.07248	0.9
264.10153	2.9
265.06824	1.0
265.10962	1.4
266.08011	1.0
266.11618	2.4
267.08926	1.2
267.12332	1.0
273.11133	2.3
275.08948	1.0
277.07361	1.4
277.10950	1.5
278.08047	5.8
278.11310	1.8
279.08817	4.3
279.12479	6.5
280.06473	1.6
280.09634	27.2
281.10135	1.3
290.08063	1.3
291.08759	1.1
292.06680	0.7
292.09686	4.8
293.07169	1.1
293.10464	2.8
294.07599	5.6
294.11209	8.7
295.08347	6.5
295.11945	11.7
296.09045	4.2
305.07037	0.8
306.07629	3.6
306.11230	2.0
307.08481	1.9
307.11966	8.5
308.09143	30.5
308.12479	1.7
309.09927	1.7
309.13580	5.3
310.10757	20.0
310.14291	3.6
320.08963	1.1
322.07254	1.2
322.10684	23.5
323.07843	1.2
323.11383	11.9
324.08670	19.5
324.12262	3.8
325.09250	1.7
336.12393	0.9
337.13007	6.4
338.10080	19.2
338.13831	65.8
339.10895	10.2
339.14368	2.6
340.11563	2.0
352.11667	3.4
353.16180	100.0
354.13266	77.7
355.13724	3.4
368.14877	82.7
369.15219	9.0
508.14063	1.0
509.14224	1.1
524.17194	1.8
567.18701	1.1
569.20465	2.0
598.20673	16.7
613.22906	41.2
614.23218	4.2
628.25250	89.6
629.25281	5.9
652.12189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3109
Annotation	Cycloaspeptide C
Peak:m/z	Relative Intensity
50.01603	0.4
51.02374	0.4
52.93369	0.3
53.03942	1.3
56.05051	0.4
58.06595	1.7
59.04987	0.4
67.05524	0.4
70.06579	0.8
70.15617	0.7
70.29009	0.4
71.04985	1.9
75.04472	3.2
77.03943	0.9
79.01812	0.3
79.05478	0.7
81.07053	0.5
85.06534	0.9
88.07603	0.8
91.05469	1.6
93.07043	0.5
94.06583	0.4
95.04947	4.4
96.08113	0.4
97.06539	0.4
98.09687	2.6
102.09170	2.5
105.03378	28.5
105.04512	1.6
105.06992	0.5
107.05027	0.3
108.08118	1.3
109.06536	0.8
111.08132	0.8
114.09159	0.8
115.05465	0.4
117.07047	0.5
121.06503	0.6
122.09674	0.9
123.08060	0.8
124.07591	0.9
124.74267	0.4
128.06206	0.6
128.10719	2.3
129.06976	0.9
131.08588	0.8
132.07912	0.4
134.09634	0.6
138.09120	0.8
141.06902	0.5
141.09042	0.4
143.08551	0.6
145.06490	0.5
146.09677	0.8
147.10451	1.2
148.11195	3.0
150.09169	0.4
151.09911	0.6
152.10730	1.6
154.12277	1.3
155.08508	0.7
158.09723	1.0
159.08122	0.6
160.11186	0.6
161.09624	0.6
162.09161	0.4
164.10713	0.6
165.07002	0.8
167.08604	0.4
169.06520	0.7
172.11243	0.7
173.09641	0.6
178.12247	3.3
178.67384	0.4
179.08444	0.5
184.11307	0.6
184.13324	0.9
186.12770	1.3
186.54771	0.4
190.12364	0.5
191.08549	1.0
191.81133	0.4
193.10143	0.7
195.07999	0.5
202.07707	0.6
202.12408	0.5
203.08585	1.0
205.10156	0.8
207.08133	0.5
207.11763	0.8
214.12274	1.4
215.08603	0.6
217.10150	0.9
218.15414	1.1
219.11737	0.6
222.12601	0.3
223.11188	0.4
228.13853	0.5
229.10059	0.4
233.09642	0.5
234.11075	0.5
235.11214	0.5
236.16403	0.4
237.09230	0.6
248.14381	0.5
249.12704	0.4
250.17982	2.3
252.13760	0.4
262.12408	0.4
262.15845	0.4
264.13928	0.5
266.15448	0.4
268.13528	0.6
270.14932	0.5
276.13770	0.7
278.15356	0.4
282.15189	0.4
284.16330	0.6
294.14905	0.6
294.18387	0.6
310.17975	1.2
326.21164	0.6
338.17703	0.5
352.19016	0.5
354.20587	2.2
358.23669	4.5
359.08173	0.4
368.18530	0.4
384.21667	0.5
386.23206	26.4
387.23596	1.1
400.21173	1.0
414.22745	0.7
428.24277	0.6
434.19321	0.5
446.25290	0.6
469.19656	0.4
474.25266	0.5
488.27118	0.4
492.23978	0.5
504.23877	1.2
506.27472	1.2
508.26907	26.1
509.26968	1.7
536.26160	3.5
568.28992	35.5
569.29657	2.2
628.31049	100.0
629.31287	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	628.3114
Annotation	Cycloaspeptide C
Peak:m/z	Relative Intensity
50.95256	0.6
53.03936	2.1
55.05493	0.7
56.05031	0.7
58.06576	1.6
65.03928	0.7
67.05492	1.6
69.03444	0.9
69.19730	3.7
71.04984	1.3
75.04471	16.9
77.03909	1.7
79.05483	18.6
81.03410	1.5
81.07047	19.2
83.05002	0.6
85.02878	1.3
85.06536	0.7
87.04443	0.9
87.18898	0.6
89.34839	0.6
91.05457	2.1
94.04173	1.9
95.04955	9.4
96.05755	0.9
96.17126	0.6
101.06004	26.5
102.09164	1.0
105.03379	27.4
105.04509	2.3
105.07017	1.1
107.04941	0.7
108.08118	2.0
109.06500	10.5
111.08063	73.7
112.08389	1.0
115.07578	1.2
117.07009	0.7
119.08550	0.7
122.09687	0.8
133.02840	1.3
134.09560	0.7
137.05995	1.1
138.09190	0.9
141.09084	17.9
144.08147	0.7
146.09662	0.8
148.11150	0.7
150.57593	0.7
152.10660	1.4
160.11156	0.9
164.10753	1.8
172.11243	1.2
173.11993	0.6
178.12215	4.2
184.11314	0.7
190.12236	0.8
191.08635	0.8
195.08165	0.7
204.13820	4.1
218.15353	1.4
231.99170	0.8
278.17603	0.7
314.17361	0.7
364.41632	0.7
414.23013	1.7
434.19876	1.1
466.22217	1.7
476.20367	0.9
504.24301	1.0
506.26822	1.1
536.26086	3.4
568.29004	17.5
569.30206	1.0
596.28424	3.6
614.82111	0.7
628.31042	100.0
629.31464	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	628.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
57.03441	0.9
58.06594	29.1
60.08534	0.7
61.02909	2.0
69.03418	7.0
71.05003	1.2
72.08148	1.7
73.02901	1.9
81.03411	2.7
85.02895	8.1
87.04449	1.0
91.05461	2.6
93.07014	0.9
95.04945	0.8
97.02848	3.7
98.09692	2.6
102.92123	0.6
105.07049	1.8
108.08100	0.7
109.02877	1.2
117.07011	1.2
122.09695	0.8
127.03937	1.4
129.06995	2.6
131.08566	1.7
135.08115	1.2
137.05946	1.4
141.06969	1.1
143.08594	1.1
145.06444	0.9
146.09650	0.8
147.08046	1.5
159.08049	1.1
161.09656	0.9
165.07036	0.8
167.08540	1.7
175.04013	0.8
179.08562	1.5
185.09773	0.8
195.11855	1.0
204.91814	0.7
205.10144	0.8
207.11700	1.0
219.11612	0.8
221.13318	1.2
223.11145	1.0
231.11755	1.1
246.59674	0.7
249.12750	1.6
251.14281	0.7
263.14337	0.9
267.13705	0.9
304.05505	0.8
312.83258	0.7
338.21313	1.7
339.95786	0.9
356.22003	1.4
384.21869	1.1
398.23422	2.5
416.24258	1.5
430.25693	7.1
448.26935	11.7
490.08890	0.9
586.36578	0.9
610.32251	7.9
628.33185	100.0
629.33624	4.8
656.57330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01859	0.5
55.70945	0.3
56.05034	1.4
57.03430	0.8
58.06596	7.7
61.02923	1.0
69.03445	2.0
69.61663	1.2
70.06579	0.8
71.01328	0.3
71.04976	0.6
72.08151	4.7
79.05493	0.8
81.03421	0.7
84.08141	1.3
85.02900	3.0
86.09702	0.8
87.04481	0.7
88.07599	0.3
91.05489	2.0
93.07040	0.9
96.08126	0.9
97.02904	1.2
98.09694	0.7
101.02359	0.4
102.09167	2.5
105.07028	1.2
107.04922	0.7
108.08097	4.3
109.06504	0.6
109.16489	0.4
112.07589	0.9
114.09167	0.4
117.07032	1.0
119.04961	0.5
121.06544	0.5
121.08878	0.4
122.09669	3.7
123.08097	0.4
124.11243	2.3
126.44389	0.3
127.03916	1.1
128.06210	1.0
129.07008	2.3
131.08575	1.5
133.06467	0.5
135.08052	0.9
137.06004	1.1
140.10689	1.2
141.06998	1.3
142.07735	0.4
143.08569	1.2
145.06535	0.5
147.08127	0.4
152.10741	1.0
153.06999	0.6
154.12247	5.4
155.08554	1.6
158.09636	0.5
160.11282	0.3
160.26881	0.4
165.07027	0.8
166.07806	0.6
167.07243	0.5
167.08493	1.8
169.10159	0.9
171.08113	0.5
172.11182	0.6
174.12831	0.9
179.08580	1.1
180.09341	0.5
181.10109	1.1
183.11760	0.7
186.12817	0.9
187.13432	0.4
191.08549	0.5
192.09259	0.7
193.10164	1.2
194.10597	0.4
195.11719	1.2
199.11221	0.5
200.14362	1.1
201.15120	0.5
203.08583	0.5
204.09404	0.6
205.10179	1.2
207.11703	1.4
209.09564	0.5
209.13298	0.4
221.13319	1.0
223.11140	0.7
225.12698	0.7
231.11549	0.5
233.13312	0.7
235.11133	0.6
237.12869	0.4
249.12811	0.8
267.13791	0.4
278.19019	0.3
278.62946	0.3
292.17023	0.4
294.18567	0.4
304.05048	0.4
326.21136	0.6
338.21100	0.9
370.23804	1.1
398.23291	4.4
408.48099	0.3
412.24799	1.1
416.24026	1.8
430.25879	7.1
448.27057	5.8
466.27948	6.1
573.60297	0.4
592.30859	0.4
600.69189	0.4
610.32208	3.7
628.33215	100.0
629.33551	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	628.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50756	0.4
56.05005	0.5
57.07068	13.1
58.06585	0.7
67.05490	1.5
69.89016	0.4
69.89352	1.3
74.06071	1.1
79.05473	1.9
81.07039	2.7
86.06044	1.2
91.05475	2.1
93.07027	1.5
94.06550	1.1
95.04935	1.0
95.08577	0.5
96.08145	0.6
98.22707	0.6
105.03370	0.5
105.06999	2.1
107.04933	0.7
107.08588	1.3
109.06448	0.6
110.06058	0.7
111.08099	0.6
119.04933	0.8
119.08546	0.9
121.06494	0.6
129.06998	1.4
131.08577	0.8
132.08099	1.0
134.09592	0.6
137.83421	0.4
141.06998	0.8
143.08559	1.2
144.07959	0.6
145.10078	0.5
146.09639	1.3
149.09613	0.6
153.06970	0.6
155.08537	1.8
158.09677	1.8
158.83888	0.4
160.11179	0.6
162.09077	0.6
165.07062	1.0
166.07860	0.5
167.08563	1.1
169.10104	1.4
170.18747	0.5
171.11621	0.5
178.07687	0.6
179.08543	1.7
180.09373	0.6
181.10146	1.4
186.09160	0.5
188.10771	0.5
191.08502	0.7
192.09399	1.0
193.10136	1.4
195.11693	0.9
197.84431	0.5
198.12802	0.5
203.08569	0.5
204.09331	0.7
205.10065	1.0
206.10907	0.7
207.11763	1.3
209.09596	0.5
209.13292	1.5
215.08580	1.0
219.11687	1.9
221.13264	1.6
223.14757	0.7
230.10974	1.1
232.11151	0.5
233.13333	1.1
234.12598	0.7
235.14803	1.6
238.12273	0.6
245.13210	1.3
247.14832	0.8
250.15819	0.7
251.14320	0.6
257.86801	0.4
260.14246	1.1
261.15088	1.0
263.14352	1.2
274.16055	0.6
276.17429	7.8
294.18613	2.5
304.17026	1.5
312.19244	0.5
322.17908	5.7
336.19604	1.3
340.19016	0.8
354.20688	1.3
364.19235	1.4
382.20035	5.4
389.57401	0.5
424.20859	0.7
431.14493	0.5
432.62000	0.5
438.26422	1.1
442.22403	1.3
466.25934	1.3
484.27203	1.1
492.29523	0.6
498.28400	5.6
526.27911	21.1
527.28357	1.9
544.29120	0.9
568.32977	0.6
628.34668	100.0
629.36182	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	628.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.2
57.03415	5.2
57.07067	10.4
58.06588	12.5
58.38133	2.5
59.46387	2.5
61.02908	5.2
67.05498	45.5
68.38081	2.4
69.03432	19.3
69.07059	35.9
71.04990	3.6
71.43755	3.5
73.02927	3.1
79.05478	22.7
81.03407	5.2
81.07047	72.3
83.04955	11.6
83.08606	19.6
85.02888	41.6
85.06519	5.7
85.10201	3.2
87.04450	15.2
91.05463	7.5
93.07040	24.5
95.04947	5.9
95.08596	48.1
97.02873	14.3
97.06516	9.9
97.10148	12.3
101.06004	7.5
105.03354	15.0
105.07006	5.4
107.08592	25.8
109.02839	4.8
109.10140	40.1
111.08102	5.0
111.11703	7.9
115.03922	18.8
117.06979	6.3
119.08546	4.6
121.10123	65.0
123.11691	31.2
125.09624	2.9
125.13232	5.8
127.03890	12.1
127.11160	3.7
129.05479	2.9
131.08543	3.6
133.04956	11.3
135.11674	44.7
137.13277	9.3
139.11156	4.8
141.12767	4.5
145.04947	14.9
149.13222	22.4
151.14809	11.9
153.12708	3.4
162.45293	2.5
163.06017	6.6
163.14789	6.2
179.17981	6.4
181.04987	4.6
192.11580	2.6
205.12996	2.5
205.17561	3.9
205.19478	93.6
215.17915	12.6
223.20538	100.0
224.20833	4.4
233.18930	23.1
241.21547	6.7
251.20027	29.4
269.21078	87.8
270.21420	4.9
280.46887	2.8
287.22049	10.3
341.22552	2.8
386.19455	5.8
506.27478	8.1
568.26813	4.0
628.30835	42.2
629.30902	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	628.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52412	4.7
53.03934	9.1
55.01864	14.3
55.05503	44.6
57.03427	13.3
57.07052	5.2
62.07530	5.1
64.13021	4.1
66.05199	4.7
66.76965	4.6
67.05493	58.7
67.72723	5.5
69.03419	10.8
69.07054	30.8
70.03319	9.1
70.03683	9.4
71.04975	11.2
72.11774	4.3
74.77084	4.2
79.05489	65.1
81.03407	62.7
81.07049	100.0
83.04964	29.0
83.08599	36.2
85.02891	31.3
91.05463	66.9
93.07032	49.4
95.04950	40.0
95.08607	27.4
97.02865	6.6
97.06525	15.5
97.10171	27.8
105.04488	5.0
105.07019	49.3
107.04950	16.5
107.08577	35.1
109.06521	21.0
109.10145	10.4
111.04417	16.5
111.08076	19.5
117.07001	13.7
119.08590	43.5
121.06491	13.2
121.10123	25.4
123.08043	32.2
125.09615	21.4
129.07004	15.7
131.08583	18.8
133.06470	6.8
133.10110	24.1
135.08035	8.3
135.11676	12.9
137.09608	7.0
142.07791	4.7
145.10117	15.2
147.08034	15.8
147.11707	22.4
149.09630	19.0
153.09151	6.1
153.12755	5.2
157.10136	18.6
159.11684	7.7
161.09564	9.0
163.11157	13.5
165.09143	7.4
173.09705	5.4
175.11163	13.1
181.12328	8.1
189.11221	21.0
193.12219	49.7
211.13271	61.1
214.74052	4.4
223.13301	6.9
227.12793	23.1
227.14771	4.8
245.19002	9.0
267.15875	19.1
273.18481	39.0
283.15439	8.1
285.16858	59.3
291.19519	73.7
347.22333	10.5
365.23318	27.7
383.24423	12.1
507.89923	7.7
523.88190	7.5
557.34869	14.9
575.35754	20.6
593.36224	14.0
628.34009	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	628.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	10.4
55.01875	23.6
55.05508	69.9
57.03430	14.3
58.06592	13.4
65.03905	10.3
67.05498	68.2
69.07055	33.5
71.08626	15.6
79.05490	63.7
81.03398	31.1
81.07046	100.0
83.04964	36.7
83.08603	38.1
85.02882	9.5
87.34898	9.1
91.05460	49.2
93.07047	73.2
95.04955	48.9
95.08594	33.6
97.06512	16.4
97.10162	25.2
98.23471	28.4
99.08106	10.8
105.06994	38.7
107.04945	28.9
107.08568	39.1
109.06485	21.9
109.10127	17.0
111.04439	12.0
111.08079	10.2
117.07001	16.3
119.08545	36.1
121.10098	26.2
121.25665	8.6
123.08073	17.0
125.09579	29.9
129.06999	11.4
131.08493	14.5
133.10048	15.4
135.08015	14.1
135.11694	20.9
137.09641	9.1
145.10097	39.3
149.09610	26.0
159.11729	18.2
163.11140	46.0
189.11160	32.5
191.10646	12.6
223.13371	9.4
227.12788	33.6
275.20050	44.7
283.15399	74.6
293.21072	90.6
349.23660	18.9
367.24655	37.1
385.25555	13.8
548.87103	9.9
575.35449	38.3
593.36426	19.4
598.65265	10.9
625.84973	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	628.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15642	1.2
55.05498	6.3
57.07070	31.2
58.95099	1.0
67.05509	8.4
69.07059	8.5
70.00684	2.3
71.08624	29.8
73.06541	6.1
75.54670	1.3
79.05477	6.6
81.07037	7.8
82.07386	2.0
83.08611	6.8
85.10174	16.9
87.04462	8.1
89.06019	100.0
91.05455	5.3
93.07022	5.1
94.07338	1.8
95.04961	2.3
95.08604	6.2
97.06519	2.1
97.10143	7.5
99.11685	2.4
105.07018	4.3
106.07328	1.4
107.07076	3.0
107.08556	4.9
109.10126	2.6
111.11704	5.0
113.13318	1.4
117.06996	1.7
117.09113	6.0
119.08561	3.9
121.10109	2.6
125.13243	2.3
127.14789	2.5
130.08565	2.6
131.07088	2.6
131.08536	1.9
133.08586	60.3
135.11739	1.9
141.16298	1.4
145.10097	1.3
147.11682	1.7
149.09621	1.8
161.11720	1.8
177.11214	24.0
197.22585	1.7
214.83525	1.2
221.13805	4.4
231.21713	1.2
236.14894	3.8
241.25232	2.9
249.67618	1.3
275.20041	2.1
283.17441	1.9
285.27829	6.4
327.20227	1.8
329.30460	3.2
335.25870	2.0
358.06424	1.3
415.25052	4.1
597.81824	1.2
610.45013	3.8
611.47015	6.3
628.47247	10.5
629.47424	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3262
Annotation	Deoxyaconitine
Peak:m/z	Relative Intensity
50.01585	0.3
51.02362	0.7
52.94365	0.2
53.03930	0.9
56.05015	1.2
57.55999	0.3
58.06325	0.5
58.06593	5.2
61.62597	0.3
67.05489	0.4
70.06567	1.0
71.04976	0.7
72.08151	1.3
72.45699	0.2
75.04467	0.7
77.03916	1.2
79.05484	0.6
81.03407	0.3
81.07010	0.4
84.08118	0.9
85.02892	0.5
88.07604	0.3
91.05463	2.1
91.48566	0.3
93.07035	0.3
95.04952	6.4
96.08140	0.3
97.06515	0.3
98.09681	1.1
98.22694	0.7
102.09168	2.4
105.03378	37.9
105.04510	2.1
105.07006	0.6
106.03759	0.6
107.04939	0.5
108.08121	2.8
109.06518	0.7
114.20130	0.3
115.05399	0.3
117.06998	1.4
119.04930	0.5
119.08549	0.4
121.06544	0.4
122.09661	1.4
123.04456	0.5
124.11177	0.6
128.06189	0.5
128.10707	0.8
129.07005	0.9
131.08540	1.6
133.10031	0.3
134.09666	0.6
136.07713	0.4
136.11197	0.3
140.10709	0.4
141.06982	0.9
143.08519	0.7
146.03619	0.7
146.09624	0.6
147.04369	1.5
147.08044	0.6
147.10416	0.4
148.11180	0.7
149.09607	0.3
152.10693	0.7
153.06935	0.7
153.64873	0.3
154.07724	0.3
154.12253	1.5
155.08565	0.8
158.09653	0.4
160.11182	0.6
162.09238	0.3
162.12759	0.3
165.07051	0.8
167.08524	0.7
169.10117	0.3
172.11208	0.7
173.11932	0.4
174.09134	0.5
174.12762	0.8
177.05423	0.3
178.07706	0.4
178.12289	1.0
179.08485	0.6
181.10184	0.5
183.07974	0.4
186.08965	0.3
186.12753	1.4
188.07045	0.5
191.08588	0.8
192.09335	0.4
193.10156	0.7
195.08031	0.4
198.12761	0.3
199.07637	0.3
202.07770	0.4
202.12123	0.3
203.08731	0.6
204.09950	0.3
205.10207	0.5
206.15292	0.4
207.08063	0.5
207.11758	0.8
209.09627	0.4
210.12747	0.3
217.10118	0.5
219.08087	0.4
219.11623	0.7
220.08926	0.4
220.16920	1.4
221.09567	0.5
229.10226	0.4
231.08102	0.4
232.08844	0.4
233.09590	0.5
234.10379	0.5
235.07669	0.4
235.11168	0.5
237.12721	0.5
242.82530	0.3
247.11165	0.7
249.09131	0.6
263.10641	1.6
264.13843	0.4
265.12231	0.7
266.15424	0.3
279.13702	0.3
282.14938	0.4
292.16992	0.7
296.16592	0.5
296.19958	0.4
307.15750	0.8
308.16299	0.6
320.16455	0.5
324.15985	0.6
324.19427	2.2
328.22681	1.4
352.18979	13.0
353.19379	0.7
356.18283	0.5
356.22147	6.2
357.22491	0.4
360.25259	0.6
384.21829	0.8
388.24863	2.2
408.73135	0.3
416.24179	0.7
442.20261	0.4
446.23447	0.6
474.22971	1.4
478.26361	4.0
506.25201	2.9
510.28677	4.9
538.27899	10.3
539.28247	0.9
570.30499	15.4
571.30981	1.5
598.29962	1.1
630.32611	100.0
631.32947	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	630.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05500	3.0
57.07067	36.8
59.04990	1.3
67.05486	4.1
68.61098	0.7
69.03392	0.8
69.07057	2.8
71.04987	1.1
71.08623	24.9
73.06543	9.3
79.05477	2.6
80.77146	0.6
81.07053	3.3
83.04951	1.2
83.08605	3.2
85.06509	1.2
85.10169	19.5
87.04458	10.0
89.06019	100.0
91.05476	2.8
91.07550	0.7
93.07024	3.4
95.04951	1.9
95.08599	2.7
97.06495	1.3
97.10146	4.1
99.11710	4.5
104.10723	0.9
105.07013	3.5
107.07047	2.9
107.08589	3.2
109.06554	0.9
109.10119	2.0
111.11733	1.1
113.13235	1.6
117.06993	1.0
117.09113	6.0
119.08552	1.9
121.06384	0.9
121.10133	3.0
123.08054	0.8
125.09547	0.7
128.06201	0.8
129.06934	0.9
130.08672	1.8
131.07022	2.1
131.08539	1.8
133.08588	48.6
133.10185	1.9
135.10144	0.9
143.08551	0.8
145.10158	1.2
147.08043	0.9
147.11665	0.8
149.09563	1.1
155.17909	3.9
161.11746	1.7
167.10588	0.8
175.09572	1.9
177.11197	22.3
177.12741	1.2
195.11807	0.6
199.14838	0.8
199.20572	3.9
209.13246	0.9
221.13690	3.9
239.14815	1.4
243.23221	8.0
283.17587	1.4
287.25952	4.9
321.65091	0.8
371.22684	0.8
396.34152	0.7
459.27985	2.0
489.35803	1.2
569.42596	1.3
584.47357	0.7
613.45215	4.3
630.37152	1.1
630.47443	2.6
631.37671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3442
Annotation	3-hydroxy-4-methyl-anthranilate pentapeptide lactone
Peak:m/z	Relative Intensity
53.03914	0.6
55.01854	1.2
55.05499	2.1
57.03433	0.9
57.07049	0.5
67.05484	4.4
69.03420	1.0
69.07049	2.3
79.05482	4.2
80.05815	0.5
81.03416	1.7
81.07046	5.4
83.04952	1.3
83.08613	1.6
85.02908	0.6
91.05463	4.1
93.07019	4.6
95.04931	3.0
95.08594	3.4
97.06509	1.2
105.03401	1.5
105.07032	3.4
107.04929	1.4
107.08588	3.8
109.06518	2.2
109.10134	1.5
111.08053	0.9
117.06985	1.3
119.08559	3.0
121.06458	1.5
121.10114	3.6
123.08031	1.1
125.09599	1.1
129.06937	0.8
131.08556	1.9
133.10085	2.6
135.08105	1.4
135.11688	0.9
137.09605	0.9
143.08562	0.7
145.10110	2.0
146.53944	0.6
147.08023	1.3
147.11719	1.0
149.09610	1.5
152.43080	0.6
155.08588	1.0
157.10086	1.0
159.11702	1.0
161.09723	0.6
163.11160	2.2
165.09099	0.8
167.10634	3.2
169.10129	1.0
171.11707	1.1
173.09723	0.9
181.12289	0.6
189.12744	0.7
191.14534	0.6
193.04877	0.8
195.11682	0.6
209.13152	0.7
212.02399	0.6
219.11798	0.6
221.15392	1.3
231.17268	0.7
233.15327	1.7
267.15918	0.6
305.13574	0.7
307.15002	1.0
339.21222	0.6
347.18298	2.0
349.19684	4.9
386.09824	0.6
403.21008	1.9
405.22324	5.1
492.18839	0.6
542.14972	0.6
584.96832	0.6
631.34320	100.0
632.35229	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	632.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03942	1.3
55.01864	0.5
56.05027	0.8
58.06594	3.9
59.04999	0.6
67.05513	1.0
68.35730	0.5
70.06606	0.6
71.58298	0.4
75.04472	1.6
77.03923	1.6
79.05492	1.1
80.05056	0.5
81.03405	0.6
81.07059	0.8
84.08133	0.5
85.02891	1.4
91.05473	1.8
93.07047	1.0
94.06557	1.1
95.04956	8.4
96.08135	0.7
105.03381	56.8
105.04520	3.4
105.06998	1.3
106.03719	1.4
107.08575	0.6
108.08105	2.0
109.06501	1.0
111.08065	1.6
117.07005	1.6
119.04886	0.5
119.08557	0.8
120.56980	0.4
122.09653	2.9
124.11248	0.5
128.06198	0.7
129.06990	2.0
131.08582	1.7
132.08107	0.7
135.04451	0.5
137.05934	0.8
138.09138	0.8
141.06995	0.9
143.08536	0.6
144.08032	0.5
145.06447	0.6
145.10107	0.4
146.09608	0.5
155.08577	1.5
159.07991	0.7
160.07600	1.5
161.09645	0.6
165.07048	1.0
167.08522	1.2
169.06476	0.5
170.09621	0.7
171.69238	0.4
172.11128	0.5
173.09666	0.5
176.07001	0.6
176.10686	1.0
178.07790	0.8
179.08534	1.0
181.10010	0.6
186.12767	0.7
187.07518	0.7
190.07684	0.5
191.08617	1.0
193.10133	0.8
198.12802	0.6
202.07811	0.5
202.12169	0.5
203.08595	0.6
204.13861	1.2
205.10121	1.7
207.11697	0.5
209.09685	0.7
217.10176	0.6
219.08098	1.0
233.09579	1.2
235.11131	1.1
237.12929	0.5
251.10387	0.6
260.15298	0.5
261.09076	1.2
276.13861	0.8
292.13162	0.7
303.71274	0.5
304.13550	0.5
308.16290	0.5
326.17578	0.9
336.15854	0.7
340.19144	0.9
353.19467	0.6
354.16672	5.4
358.19983	0.8
390.22690	1.1
460.24927	1.0
462.22714	0.8
464.20682	0.8
476.20410	0.6
480.23196	1.2
490.21878	1.0
508.23535	0.8
512.26428	3.1
522.24866	1.3
540.25751	2.7
572.28516	10.4
582.28040	1.3
600.28552	0.9
602.21558	1.0
614.31378	0.7
631.32751	1.5
632.30969	100.0
633.31323	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	632.3055
Annotation	Mesaconitine
Peak:m/z	Relative Intensity
50.01593	0.5
51.02378	1.1
53.03930	1.3
54.86712	0.4
55.01855	0.6
58.06588	0.5
67.05463	0.4
69.03410	0.5
69.53481	0.5
70.02340	0.4
70.06577	0.7
71.04977	0.6
72.07363	0.4
75.04459	1.7
77.03914	1.8
77.93585	0.4
79.05474	1.2
82.06563	0.6
85.02882	0.6
91.05468	1.7
91.15034	0.4
94.06540	1.2
95.04951	7.3
96.08124	0.7
98.05966	0.5
98.23454	1.4
105.03379	54.1
105.04396	3.7
105.07015	0.7
108.08087	1.1
108.47489	0.4
109.06513	0.7
111.08056	1.4
117.07008	1.5
120.08119	0.9
124.07506	0.5
126.09133	0.5
129.06956	1.9
131.08542	1.0
133.02809	0.6
134.09622	0.5
135.08081	0.8
137.05934	0.9
138.09108	1.7
141.06917	0.8
144.05795	0.5
144.08087	0.5
145.06448	0.8
146.09531	0.5
147.04402	0.5
147.08017	0.6
148.07559	0.6
155.08519	0.8
159.08011	0.6
160.07574	2.1
161.09676	0.4
163.04004	0.5
164.10669	0.9
165.05470	0.5
165.06975	0.7
167.08569	0.8
171.08022	0.6
172.11176	1.2
174.05542	0.9
176.10725	1.2
178.07800	0.5
179.08534	0.8
181.10109	0.8
184.11223	0.5
185.15079	0.5
188.10652	0.7
190.07666	0.6
191.08485	0.5
193.10057	0.7
197.09624	0.5
202.12276	0.5
203.08516	1.1
204.09534	0.6
204.13828	1.7
205.10088	1.5
207.08025	1.0
217.10036	0.9
219.07962	0.7
221.09581	0.5
224.10683	0.4
225.09143	0.5
233.09595	0.8
234.10408	0.5
234.12715	0.6
235.07401	0.6
247.15898	0.5
251.10478	0.8
261.09161	1.2
263.10550	0.7
279.10034	0.8
288.48157	0.5
292.13379	0.7
293.11734	0.9
326.17303	0.9
336.16040	0.7
340.19016	0.9
354.16934	7.1
358.20108	0.6
372.21942	0.6
386.19608	0.6
390.22708	1.4
462.22742	1.6
464.07755	0.5
480.23703	1.6
490.22083	1.3
496.23013	0.5
507.94257	0.5
508.23199	3.0
512.26465	2.4
522.24640	2.5
540.25879	3.6
554.27649	0.5
572.28503	14.6
573.28595	0.6
582.27148	1.0
600.27710	0.6
632.30536	100.0
633.30865	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	632.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.1
53.03933	1.8
55.01851	0.6
56.05010	1.2
58.06590	9.1
58.46213	0.4
67.05482	0.9
70.06584	0.7
71.04980	0.7
72.08157	0.5
75.04469	1.1
77.03944	1.9
79.05477	1.3
80.89342	0.4
81.03400	0.8
82.06586	0.4
83.04945	0.4
85.02892	2.0
88.07620	0.6
91.05469	1.5
93.13420	0.4
95.04956	8.1
95.85848	0.3
97.02879	0.8
98.22581	0.6
102.09150	0.7
103.05415	0.4
105.03378	57.4
105.04394	3.8
105.07018	0.9
106.03723	0.8
107.04937	0.8
108.08119	2.1
109.06481	0.9
110.09674	0.5
111.04446	0.5
115.05396	0.7
117.07026	0.6
121.06515	0.6
122.09682	1.2
123.04422	1.2
125.02346	1.3
128.06186	0.7
129.07008	1.9
131.04880	0.4
131.08560	0.7
134.09581	0.4
137.06058	0.5
138.09119	0.4
141.06938	1.1
142.07753	0.5
143.08591	0.9
145.06508	0.8
146.09639	0.6
152.10710	2.6
153.06973	1.0
155.08575	1.5
157.06502	0.7
159.07976	0.4
160.11203	0.5
165.07018	1.4
167.08572	1.2
169.06430	0.6
169.10172	0.6
171.08032	0.9
172.11238	1.3
178.07800	0.9
179.08553	1.3
181.06403	0.4
181.10158	0.9
184.11250	1.2
186.12729	0.7
187.11174	0.4
190.07729	0.7
190.12279	0.8
191.08575	1.0
192.09364	0.7
193.10185	0.8
195.08083	0.8
198.12720	1.1
202.07741	0.5
203.08502	1.0
205.10184	0.6
207.08052	0.8
207.11693	0.6
209.09706	0.6
210.12698	0.9
215.08623	0.5
219.08035	0.6
220.99185	0.4
221.09583	0.9
223.11168	0.4
232.08801	0.4
233.09624	0.6
235.11058	0.5
249.08940	0.5
249.89449	0.4
251.10509	0.5
290.15521	0.5
291.19910	0.4
360.08298	0.4
370.30750	0.5
490.22018	0.6
496.23581	0.9
522.25201	2.4
540.25751	1.2
554.27466	9.4
572.28442	6.6
614.30566	0.6
632.30536	100.0
633.30927	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	632.3057
Annotation	Mesaconitine
Peak:m/z	Relative Intensity
50.01580	0.4
51.02366	1.1
52.72563	0.2
53.03941	1.5
53.89810	0.2
55.01858	0.4
58.06578	0.7
67.05493	0.6
68.05024	0.2
69.03435	0.2
69.10602	0.7
69.11018	0.6
70.06573	0.8
71.04964	0.7
74.06062	0.9
75.04469	2.4
77.03912	2.0
79.05480	1.8
80.05004	0.2
81.03411	0.6
81.07042	0.3
82.06578	1.0
84.08121	0.3
85.02896	2.3
87.04459	0.3
88.07626	0.7
91.05465	1.3
93.03388	0.2
93.07018	0.3
94.04181	0.3
94.06559	1.8
95.04958	8.9
96.05247	0.2
96.08138	0.3
97.02892	1.1
97.06536	0.6
100.07607	0.3
101.06016	0.2
103.05457	0.4
105.03379	58.4
105.04395	3.4
105.06970	0.9
106.03724	0.7
107.04913	0.4
107.07323	0.7
107.57002	0.2
108.08103	1.7
109.06512	1.2
111.04402	0.5
115.05437	0.7
117.07010	0.6
119.04953	0.4
119.08549	0.3
120.08131	0.5
121.06479	0.7
123.04424	1.3
124.07589	0.7
125.02322	1.9
128.06178	0.9
129.06995	2.2
131.04866	0.3
131.07277	0.4
131.08560	0.6
132.08109	0.6
133.06496	0.2
135.04367	0.3
135.08051	0.5
137.05949	0.2
138.09120	2.7
139.03941	0.4
140.10672	0.3
141.06967	1.4
142.07790	0.4
143.08591	0.9
144.05775	0.3
144.08084	0.8
145.06462	0.7
146.09636	0.5
147.08014	0.3
150.09152	0.3
152.06181	0.3
153.06946	1.5
154.07722	0.4
155.04907	0.2
155.08530	2.3
157.06474	0.4
157.08865	0.4
157.10091	0.4
159.08002	1.2
161.09634	0.4
164.10703	0.3
165.06979	1.4
166.07742	0.9
167.07344	0.3
167.08539	1.3
168.10303	0.2
169.06496	0.6
169.08846	0.4
169.10144	0.4
170.07312	0.4
170.09610	1.7
171.08043	0.8
171.10432	0.8
172.11153	1.2
173.09604	0.5
174.09122	0.2
176.10698	0.8
177.07024	0.2
178.07826	0.6
179.08569	1.1
181.06532	0.6
181.10068	0.7
182.09648	0.8
183.08084	0.9
183.10376	0.5
184.07269	0.2
184.08835	0.5
184.11188	0.8
185.05887	0.3
185.09601	1.1
186.09007	0.3
186.10468	0.3
186.12833	0.2
187.07602	0.2
187.11218	0.4
188.10689	0.4
189.06961	0.3
190.07790	0.8
190.12396	0.2
191.08533	1.0
191.10449	0.2
192.09264	0.3
193.06589	0.2
193.10106	0.8
194.07326	0.4
194.09593	0.3
195.08037	1.0
196.08531	0.2
196.11174	1.2
197.09665	0.5
197.11967	0.3
198.12778	1.1
199.07510	0.3
199.11288	0.3
200.10739	0.3
201.09042	0.3
202.07799	0.6
202.12329	0.6
203.08578	0.9
204.09285	0.4
205.10115	2.0
207.08037	0.7
207.11806	0.2
208.08820	0.5
208.11179	0.4
209.09586	1.0
211.11221	0.3
212.10745	0.4
213.09157	0.3
214.12222	0.3
215.08604	0.6
217.10115	0.8
218.07295	0.3
219.08101	0.6
219.11848	0.2
220.08728	0.2
221.09674	0.9
223.11240	0.7
224.10806	0.2
225.09058	0.4
226.12256	0.3
228.13890	0.3
229.10294	0.4
230.15497	0.3
231.08015	0.3
232.11234	0.3
233.09666	1.4
234.12688	0.3
235.11246	0.7
236.10974	0.3
237.09161	0.4
238.12276	0.3
245.09682	0.5
247.11174	0.6
249.09114	0.3
250.12241	0.2
251.10710	0.6
253.19382	0.4
261.09076	0.5
262.09775	0.2
262.12317	0.3
263.10529	0.3
264.13818	0.4
265.12234	0.6
271.20557	0.4
275.10724	0.2
276.13794	0.4
277.12271	0.2
292.13235	0.4
293.11743	0.3
304.13281	0.3
308.16425	0.2
311.12885	0.2
331.22610	0.9
336.15878	0.3
349.23721	0.4
354.16895	0.4
386.19495	0.4
414.16968	0.6
415.15405	0.2
458.19562	0.5
463.19873	0.3
464.20673	0.4
465.19235	0.4
476.20673	1.3
478.22098	0.3
482.21695	0.9
490.22266	0.5
508.23276	4.0
509.23608	0.3
510.25018	0.2
540.25854	10.6
541.26306	0.7
572.28473	3.1
600.28296	0.4
602.34583	0.2
603.54169	0.2
632.30542	100.0
633.30920	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	632.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.5
51.02362	0.7
51.45958	0.4
53.03924	1.8
55.01852	0.5
55.69945	0.3
56.05013	1.1
58.06592	6.4
58.09564	0.4
62.90832	0.4
63.96166	0.4
64.20285	0.4
65.03911	0.5
67.05487	0.9
70.06564	0.4
71.04987	0.4
71.93417	0.4
72.08138	1.3
77.03920	1.3
79.05476	1.4
80.04993	0.4
81.07042	0.9
84.08121	0.5
85.02890	0.7
86.09677	0.8
86.79044	0.4
88.07606	0.6
89.93893	0.3
90.05000	0.4
91.05474	3.6
93.07009	0.9
94.06567	0.9
95.04954	9.2
95.05524	0.7
98.09673	0.6
98.22615	0.8
104.06113	0.4
105.03377	59.6
105.04389	3.9
105.07020	1.7
106.03701	1.1
106.54424	0.4
107.04967	0.7
107.08551	0.6
108.08115	3.9
109.06509	0.7
112.07566	0.4
113.26251	0.4
115.05424	0.8
117.07011	1.7
119.04931	0.6
119.08612	0.6
121.06461	0.5
121.08819	0.4
122.09643	6.7
124.11213	0.7
125.05836	0.4
128.06210	1.0
129.06972	2.6
131.04950	0.5
131.08574	2.3
133.06467	0.7
134.09668	0.6
135.08072	0.7
137.05959	0.4
140.10643	0.5
141.06976	1.8
142.07799	0.5
143.08553	1.4
145.06424	0.6
145.10112	0.5
153.06943	0.5
155.08569	2.5
159.08046	0.7
160.07542	0.6
160.11200	0.5
161.09612	0.7
163.07581	0.5
165.06970	1.2
166.07756	0.5
167.08571	1.5
169.10086	0.8
171.08087	0.5
172.11234	0.6
173.09628	0.4
178.07730	0.9
179.08571	1.2
181.10107	1.0
183.11604	0.4
184.11200	0.6
185.09557	0.4
186.12811	0.9
187.13423	0.4
191.08539	0.8
192.09383	0.5
193.10117	1.1
195.11693	0.5
197.09715	0.6
198.12959	0.5
200.14372	0.4
202.12102	0.5
203.08496	0.8
204.13814	0.6
205.10100	1.0
207.11758	1.2
209.13298	0.5
211.11171	0.5
215.08627	0.6
216.09381	0.8
217.10175	0.5
218.10895	0.5
221.13199	0.6
223.11182	0.6
225.12793	0.6
233.09669	0.6
233.13289	0.6
235.11372	0.7
242.11855	0.5
244.13216	0.6
249.12698	0.9
261.12604	0.5
297.44684	0.4
306.18594	0.7
326.17529	0.6
338.21109	0.5
340.19141	0.5
354.16885	2.0
428.22058	0.5
460.24789	2.3
478.25839	0.6
540.26965	0.8
572.28516	3.1
582.28131	2.4
600.29675	2.2
632.31854	100.0
633.32123	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	632.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.5
51.02362	0.7
51.45958	0.4
53.03924	1.8
55.01852	0.5
55.69945	0.3
56.05013	1.1
58.06592	6.4
58.09564	0.4
62.90832	0.4
63.96166	0.4
64.20285	0.4
65.03911	0.5
67.05487	0.9
70.06564	0.4
71.04987	0.4
71.93417	0.4
72.08138	1.3
77.03920	1.3
79.05476	1.4
80.04993	0.4
81.07042	0.9
84.08121	0.5
85.02890	0.7
86.09677	0.8
86.79044	0.4
88.07606	0.6
89.93893	0.3
90.05000	0.4
91.05474	3.6
93.07009	0.9
94.06567	0.9
95.04954	9.2
95.05524	0.7
98.09673	0.6
98.22615	0.8
104.06113	0.4
105.03377	59.6
105.04389	3.9
105.07020	1.7
106.03701	1.1
106.54424	0.4
107.04967	0.7
107.08551	0.6
108.08115	3.9
109.06509	0.7
112.07566	0.4
113.26251	0.4
115.05424	0.8
117.07011	1.7
119.04931	0.6
119.08612	0.6
121.06461	0.5
121.08819	0.4
122.09643	6.7
124.11213	0.7
125.05836	0.4
128.06210	1.0
129.06972	2.6
131.04950	0.5
131.08574	2.3
133.06467	0.7
134.09668	0.6
135.08072	0.7
137.05959	0.4
140.10643	0.5
141.06976	1.8
142.07799	0.5
143.08553	1.4
145.06424	0.6
145.10112	0.5
153.06943	0.5
155.08569	2.5
159.08046	0.7
160.07542	0.6
160.11200	0.5
161.09612	0.7
163.07581	0.5
165.06970	1.2
166.07756	0.5
167.08571	1.5
169.10086	0.8
171.08087	0.5
172.11234	0.6
173.09628	0.4
178.07730	0.9
179.08571	1.2
181.10107	1.0
183.11604	0.4
184.11200	0.6
185.09557	0.4
186.12811	0.9
187.13423	0.4
191.08539	0.8
192.09383	0.5
193.10117	1.1
195.11693	0.5
197.09715	0.6
198.12959	0.5
200.14372	0.4
202.12102	0.5
203.08496	0.8
204.13814	0.6
205.10100	1.0
207.11758	1.2
209.13298	0.5
211.11171	0.5
215.08627	0.6
216.09381	0.8
217.10175	0.5
218.10895	0.5
221.13199	0.6
223.11182	0.6
225.12793	0.6
233.09669	0.6
233.13289	0.6
235.11372	0.7
242.11855	0.5
244.13216	0.6
249.12698	0.9
261.12604	0.5
297.44684	0.4
306.18594	0.7
326.17529	0.6
338.21109	0.5
340.19141	0.5
354.16885	2.0
428.22058	0.5
460.24789	2.3
478.25839	0.6
540.26965	0.8
572.28516	3.1
582.28131	2.4
600.29675	2.2
632.31854	100.0
633.32123	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	632.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.5
51.02362	0.7
51.45958	0.4
53.03924	1.8
55.01852	0.5
55.69945	0.3
56.05013	1.1
58.06592	6.4
58.09564	0.4
62.90832	0.4
63.96166	0.4
64.20285	0.4
65.03911	0.5
67.05487	0.9
70.06564	0.4
71.04987	0.4
71.93417	0.4
72.08138	1.3
77.03920	1.3
79.05476	1.4
80.04993	0.4
81.07042	0.9
84.08121	0.5
85.02890	0.7
86.09677	0.8
86.79044	0.4
88.07606	0.6
89.93893	0.3
90.05000	0.4
91.05474	3.6
93.07009	0.9
94.06567	0.9
95.04954	9.2
95.05524	0.7
98.09673	0.6
98.22615	0.8
104.06113	0.4
105.03377	59.6
105.04389	3.9
105.07020	1.7
106.03701	1.1
106.54424	0.4
107.04967	0.7
107.08551	0.6
108.08115	3.9
109.06509	0.7
112.07566	0.4
113.26251	0.4
115.05424	0.8
117.07011	1.7
119.04931	0.6
119.08612	0.6
121.06461	0.5
121.08819	0.4
122.09643	6.7
124.11213	0.7
125.05836	0.4
128.06210	1.0
129.06972	2.6
131.04950	0.5
131.08574	2.3
133.06467	0.7
134.09668	0.6
135.08072	0.7
137.05959	0.4
140.10643	0.5
141.06976	1.8
142.07799	0.5
143.08553	1.4
145.06424	0.6
145.10112	0.5
153.06943	0.5
155.08569	2.5
159.08046	0.7
160.07542	0.6
160.11200	0.5
161.09612	0.7
163.07581	0.5
165.06970	1.2
166.07756	0.5
167.08571	1.5
169.10086	0.8
171.08087	0.5
172.11234	0.6
173.09628	0.4
178.07730	0.9
179.08571	1.2
181.10107	1.0
183.11604	0.4
184.11200	0.6
185.09557	0.4
186.12811	0.9
187.13423	0.4
191.08539	0.8
192.09383	0.5
193.10117	1.1
195.11693	0.5
197.09715	0.6
198.12959	0.5
200.14372	0.4
202.12102	0.5
203.08496	0.8
204.13814	0.6
205.10100	1.0
207.11758	1.2
209.13298	0.5
211.11171	0.5
215.08627	0.6
216.09381	0.8
217.10175	0.5
218.10895	0.5
221.13199	0.6
223.11182	0.6
225.12793	0.6
233.09669	0.6
233.13289	0.6
235.11372	0.7
242.11855	0.5
244.13216	0.6
249.12698	0.9
261.12604	0.5
297.44684	0.4
306.18594	0.7
326.17529	0.6
338.21109	0.5
340.19141	0.5
354.16885	2.0
428.22058	0.5
460.24789	2.3
478.25839	0.6
540.26965	0.8
572.28516	3.1
582.28131	2.4
600.29675	2.2
632.31854	100.0
633.32123	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	633.3604
Annotation	Longithorone E
Peak:m/z	Relative Intensity
55.01864	0.4
55.05504	0.9
57.03431	0.6
58.06595	0.6
67.05495	2.2
69.03436	0.4
69.07061	1.4
69.08562	2.1
70.20159	0.3
71.04984	0.4
79.05478	1.7
81.03406	1.5
81.07048	2.7
83.04974	0.9
83.08622	0.9
85.02911	1.1
91.05437	1.4
93.07051	1.6
95.04971	1.3
95.08614	1.0
97.06524	0.4
97.10179	0.5
99.15851	0.3
105.03399	1.5
105.06999	1.4
107.04942	0.4
107.08601	1.0
109.06527	0.5
109.10130	0.4
117.06996	0.3
119.08588	1.7
121.06544	0.5
121.10182	1.1
123.08102	0.6
125.09616	0.4
131.08548	1.0
133.10159	1.0
145.10101	0.4
147.08115	0.4
147.11673	0.7
151.07558	0.4
157.10185	0.6
163.11185	0.4
173.13211	0.3
175.11064	0.3
251.12535	1.5
285.16956	0.5
307.15225	0.7
349.19785	7.6
379.17450	0.6
405.22418	5.1
573.28625	0.5
633.36060	100.0
634.36420	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	633.3603
Annotation	Longithorone E
Peak:m/z	Relative Intensity
52.72227	0.6
53.03945	0.6
55.01881	0.7
55.05510	2.6
57.03436	1.1
67.05498	3.7
67.92520	0.6
68.68808	0.5
69.03423	0.9
69.07056	1.2
71.04999	0.9
71.08632	0.7
71.43890	0.7
79.05474	3.5
80.62503	0.6
81.03410	0.8
81.07050	4.4
83.04976	1.4
83.08596	1.5
85.02898	0.7
85.06543	0.8
91.05482	3.1
93.07043	3.6
95.04937	3.4
95.08608	2.3
97.06520	0.8
97.10174	1.1
105.03393	1.6
105.07001	3.9
107.04974	1.0
107.08586	3.4
109.06508	2.3
109.10120	0.9
110.35603	0.6
111.04495	0.9
117.07011	1.5
119.08557	3.6
121.06496	0.8
121.10149	2.8
123.08050	2.2
125.09629	1.3
129.07007	0.6
131.08563	1.5
133.10103	1.8
135.08102	1.3
135.11641	1.1
137.09604	0.6
143.08536	0.9
145.10115	2.5
147.08047	1.0
147.11679	0.9
151.07565	2.0
154.94183	0.8
155.08488	0.7
157.10132	1.0
161.09616	1.4
163.11198	2.7
165.09167	0.9
167.10643	1.2
171.11703	0.9
172.95284	1.5
173.09601	0.7
173.13237	0.7
181.10182	0.6
181.12244	1.4
181.60551	0.7
183.11649	0.7
185.13266	0.7
207.13799	0.8
209.15390	0.7
221.15303	1.6
247.16870	0.8
249.11096	0.8
283.15262	1.1
298.99115	0.7
317.17923	0.7
351.21277	6.6
407.23831	6.7
423.81012	0.6
453.17230	0.7
458.09445	0.7
471.18140	1.3
492.45706	0.7
539.54236	0.7
633.35895	100.0
634.36298	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	634.2846
Annotation	Beiwutine
Peak:m/z	Relative Intensity
50.01586	0.4
51.02375	0.8
53.03931	1.7
58.06611	0.5
59.75758	0.4
69.16008	1.9
69.16425	1.2
76.22632	0.4
77.03916	1.6
79.05463	0.7
82.06554	0.4
85.02872	0.7
90.42142	0.4
91.05486	0.6
94.06566	1.3
95.04953	6.6
96.57214	0.5
97.02909	0.7
97.24273	0.5
103.05473	0.6
105.03377	46.3
105.04525	2.2
105.07000	0.9
106.03694	0.5
107.38319	0.4
108.08132	1.4
117.06996	0.7
120.08081	0.6
129.06963	1.1
132.08121	0.8
138.09166	1.1
144.08086	1.0
145.06517	0.6
146.09656	1.4
148.07599	0.4
157.06580	0.5
158.09627	0.7
160.07584	1.2
162.09196	0.6
164.10799	0.5
165.05663	0.6
165.06941	1.1
167.08502	0.7
174.09175	0.6
176.87842	0.5
178.07831	1.3
179.08585	1.3
181.06424	0.6
188.10596	0.5
191.08638	0.7
193.06526	0.5
193.10114	1.0
195.08022	0.9
197.09636	0.6
203.08545	1.4
205.10175	0.8
207.08101	1.7
211.07578	0.6
219.08040	0.7
221.09575	1.0
224.10732	0.6
225.09131	0.7
231.08061	0.7
233.09633	0.7
235.07483	0.9
237.09143	0.9
238.12225	0.7
239.10751	0.6
249.09120	1.4
263.10550	0.6
266.11789	0.9
267.10141	0.7
277.08539	0.8
280.13574	0.5
281.11838	0.7
298.14395	0.7
300.12244	0.6
309.11237	0.6
310.14349	0.7
324.16013	0.7
324.24835	0.4
334.38571	0.5
342.17090	1.1
356.18518	0.9
370.16290	2.7
464.20746	0.5
478.22177	0.8
496.23380	1.0
498.61700	0.6
506.21786	1.4
514.24438	1.0
524.22815	1.0
538.24463	2.0
556.25580	2.0
574.26404	8.3
598.26154	1.1
616.27661	1.4
634.28461	100.0
635.28809	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	634.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03925	0.8
53.79651	0.5
58.06594	6.9
69.03439	0.5
69.16287	3.3
77.03932	1.5
79.05474	1.0
84.08080	0.7
85.02896	0.7
91.05464	1.6
95.04956	6.4
96.08142	0.7
97.02897	1.2
105.03380	45.8
105.04527	2.3
105.07008	0.7
106.03721	0.8
108.08114	1.5
111.04418	0.8
112.77647	0.6
115.03934	0.5
117.07058	1.2
119.08607	0.6
121.02834	1.5
121.06541	0.6
122.09659	1.9
128.06226	0.7
129.06990	1.5
135.04422	0.7
137.05968	0.7
138.09155	1.7
141.06987	0.8
141.35893	0.6
146.09662	1.1
147.08011	0.5
153.07040	0.5
155.08574	0.6
157.05026	0.5
157.06429	0.6
160.11250	1.0
164.10730	0.6
165.07063	0.8
167.08521	0.6
178.07800	1.3
179.08536	1.0
191.08640	0.8
193.10153	1.0
195.07904	0.7
199.07559	0.6
205.10193	1.2
207.08130	1.4
209.09691	1.3
213.09064	0.8
218.07397	0.6
219.08043	0.7
220.13358	0.6
221.09616	1.3
223.07631	0.7
225.09196	0.9
233.09726	0.8
235.07542	1.3
237.09079	1.2
241.87801	0.5
249.09145	0.9
264.13837	0.6
267.10245	0.7
280.13251	0.9
283.09787	0.5
287.05646	0.7
294.14951	0.6
296.16571	0.5
305.86612	0.5
324.16055	0.7
356.18887	0.8
370.16385	4.2
374.19562	1.0
392.20639	0.5
478.22070	1.6
496.23380	1.6
506.21744	1.0
514.23981	3.4
524.22656	0.7
538.24078	1.6
556.25153	2.8
574.26343	9.2
575.27380	0.8
634.28473	100.0
635.28754	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	634.285
Annotation	Beiwutine
Peak:m/z	Relative Intensity
55.01849	0.4
58.06586	0.5
65.03928	4.0
67.05490	0.4
68.05042	0.2
70.06574	0.4
70.24174	0.3
70.24500	0.3
71.04979	0.3
75.04446	0.8
79.05478	0.4
82.06562	0.5
85.02884	1.3
86.06072	0.3
88.07593	0.3
91.05466	1.0
93.07005	0.2
94.06558	1.2
95.04939	0.8
96.08134	0.6
97.06462	0.2
98.06059	0.3
98.23369	0.3
105.03374	0.8
105.07005	0.7
107.04937	0.4
107.07298	0.3
108.08109	1.7
109.06525	0.6
111.04419	2.9
111.06817	0.3
115.05470	0.5
117.07010	1.3
120.08070	0.4
121.02849	92.9
121.03873	3.4
122.03158	1.4
124.07636	0.4
129.06961	1.2
131.04909	0.4
131.07291	0.3
131.08566	1.1
132.08041	0.6
133.06534	0.3
133.08830	0.3
134.09628	1.1
137.05998	0.5
138.09085	1.2
140.10625	0.4
141.06956	0.9
144.08095	0.4
145.06456	0.6
145.08849	0.3
146.05997	0.5
146.09634	0.6
147.04399	0.6
147.08006	0.4
148.07600	0.4
149.49962	0.3
153.06973	0.4
155.08525	0.5
157.06416	0.3
158.09680	0.6
159.08038	0.6
159.10463	0.4
160.07542	1.9
161.06055	0.3
161.09636	0.3
164.10750	0.7
165.05574	0.5
165.07007	1.0
166.07689	0.3
167.08549	0.8
169.06519	0.3
169.08635	0.3
169.10109	0.4
170.09641	0.6
171.07961	0.3
172.11208	0.6
174.05545	0.6
176.07137	0.4
176.10704	0.6
177.05467	0.3
179.08527	1.1
181.06483	0.3
181.10150	0.6
182.09631	0.3
183.08168	0.5
187.07478	0.3
188.07121	0.3
188.10709	0.5
190.07822	0.4
190.12222	0.5
191.08571	0.8
192.06526	0.2
193.10118	0.8
194.07294	0.3
195.08051	0.8
195.11646	0.3
196.11089	0.2
197.09674	0.3
199.07498	0.3
200.10638	0.3
202.07838	0.7
203.08508	0.7
204.09328	0.3
204.13829	0.9
205.10071	1.4
207.08061	0.5
209.09628	0.7
211.07420	0.3
214.12286	0.4
215.08621	0.3
217.10185	0.6
218.11868	0.3
219.08017	0.4
221.09615	0.7
222.14825	0.3
223.11162	0.5
225.09125	0.5
233.09607	1.1
234.12888	0.3
235.11244	0.6
237.09056	0.6
238.12149	0.4
247.11301	0.3
249.08961	0.4
249.12865	0.3
250.12517	0.4
251.10548	0.7
252.13644	0.3
255.10216	0.3
261.09137	0.8
263.10718	0.5
268.13098	0.3
276.13852	0.5
277.12460	0.3
279.10248	0.3
293.11728	0.3
294.15030	0.5
296.12778	0.2
311.12808	0.3
312.15848	0.3
326.17587	0.7
328.15338	0.4
336.15863	0.7
340.19073	0.9
346.16071	0.3
354.16901	3.9
358.20279	0.7
358.75204	0.3
368.18625	0.4
372.18109	0.7
376.21234	0.8
386.19525	1.0
404.20285	1.2
408.08704	0.3
418.22150	0.6
436.23407	0.8
438.19080	0.9
464.21103	0.4
466.18607	0.7
478.22073	0.7
480.20151	0.5
482.21866	1.0
492.20361	0.5
496.23248	0.6
498.21155	0.4
506.21719	0.8
510.21329	0.4
512.23102	0.4
514.24451	2.3
524.22650	2.2
538.24109	1.6
542.23529	1.7
556.25323	2.9
574.26324	10.7
575.26886	0.9
598.26508	0.6
616.27448	0.7
634.28461	100.0
635.28790	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	634.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
52.00426	0.4
53.03935	1.3
55.05488	0.5
57.03418	0.9
58.06583	1.0
67.05493	3.4
69.61668	1.4
74.06059	0.9
77.03921	1.6
79.05476	1.2
80.19770	0.4
81.03383	1.1
81.07038	1.7
82.06556	0.6
85.02859	0.5
86.06036	0.7
91.05473	1.5
93.07027	1.5
94.06551	1.1
95.04947	9.3
95.08577	0.8
97.02898	0.6
98.22636	0.5
105.03375	56.1
105.04403	3.6
105.07005	2.3
106.03709	0.8
107.04972	0.7
107.08546	0.9
108.08088	1.2
109.02866	1.2
109.10154	3.6
110.06004	0.9
114.05508	0.5
117.06971	0.9
119.08557	1.0
120.08111	0.6
121.10062	0.5
128.06186	0.7
129.06998	0.9
131.08554	1.1
132.08058	1.2
134.09618	0.7
134.93117	0.5
135.11667	1.0
141.06973	1.1
143.08545	1.3
144.08051	1.0
145.06461	0.7
145.10123	1.4
146.09625	0.6
148.11243	0.7
155.08487	2.2
156.80009	0.5
157.08850	1.1
157.10138	0.6
158.09618	3.3
162.09134	0.6
163.11172	1.2
164.10492	0.4
165.06975	0.8
166.07857	0.5
167.08488	1.1
169.05011	0.5
169.10066	1.5
170.09636	0.5
173.11754	0.7
174.09123	1.1
178.07788	1.0
179.08517	1.5
180.09286	0.6
181.10118	0.9
182.09604	0.5
191.08580	0.8
191.95932	0.4
192.09282	0.9
193.10052	2.5
194.10939	0.6
195.11697	1.2
196.11168	0.5
203.08574	0.7
204.09232	0.5
205.10074	1.1
206.10863	1.1
207.11632	1.1
209.13336	0.7
215.08522	1.0
216.09540	0.5
217.10139	0.6
218.11049	0.7
219.11688	1.5
221.13246	1.3
223.14946	0.4
227.12778	0.6
229.10114	0.6
229.14256	4.6
230.10872	0.8
233.13176	0.7
234.12738	1.0
235.14838	1.4
236.14351	0.5
237.12819	0.5
245.13177	1.6
247.14832	0.6
248.14526	0.5
251.14401	0.6
252.13817	0.6
252.17252	0.5
254.15205	0.6
260.14441	0.5
261.15158	0.6
263.14352	1.3
276.17407	10.1
283.15320	3.9
294.18439	3.1
304.16986	2.1
313.48380	0.4
322.17963	6.0
336.19611	1.2
354.20648	1.0
364.19067	1.4
365.76907	0.5
382.20163	4.8
424.21448	0.6
437.25317	5.9
440.54324	0.5
458.23285	0.7
476.24292	0.7
486.22653	1.6
504.23605	0.6
512.26398	0.7
518.25311	5.6
546.24774	15.7
547.24866	1.1
634.29950	100.0
635.30383	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	634.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64425	0.8
53.03931	1.5
55.01864	6.7
55.05262	0.9
55.05505	12.6
55.93293	0.7
57.03176	1.0
57.03431	14.5
57.07047	1.8
58.06587	4.4
59.04989	4.7
61.02913	5.6
61.03183	0.8
61.03289	0.6
65.03928	1.3
67.05495	74.7
69.03406	2.3
69.07058	3.9
71.01345	1.2
71.04978	3.9
71.44343	1.1
73.02897	1.8
79.05479	14.3
81.03405	8.5
81.07046	19.8
83.01318	6.0
83.04972	6.3
83.08605	11.7
85.02887	6.6
85.06540	2.1
91.03936	1.8
91.05474	12.2
93.07038	17.0
95.04963	9.7
95.08595	9.6
97.02903	4.3
97.06479	2.7
97.10148	1.3
99.04431	1.8
104.35317	0.8
105.03377	21.7
105.04471	1.9
105.07018	6.6
106.03747	1.1
107.04948	6.0
107.08591	10.2
109.02876	0.9
109.06493	4.6
109.10139	62.1
110.10454	1.2
111.04428	1.8
111.08054	3.5
117.07000	6.3
119.08568	9.7
121.06473	3.1
121.10110	4.3
121.15176	0.7
123.08053	5.8
125.05967	1.9
125.09618	0.9
129.06984	1.3
131.08530	1.8
133.10104	2.0
135.08051	1.5
135.11662	9.2
137.09596	3.0
145.06540	0.9
145.10097	9.8
147.08047	1.2
147.11661	1.1
149.09616	0.8
153.12708	1.9
155.08533	1.0
155.10661	5.5
157.08867	1.2
163.11153	16.8
171.76050	0.8
173.09540	2.1
173.11720	21.8
181.12183	2.9
183.19054	0.8
191.10640	2.1
208.38890	0.9
209.11615	4.7
214.88934	0.8
227.12646	4.2
229.14319	84.9
230.14673	2.6
260.14514	0.9
276.17392	2.5
281.08075	1.4
283.15353	79.5
284.15714	2.5
294.18704	1.4
296.10352	1.3
322.17880	1.7
342.50177	0.8
400.74078	0.8
430.01776	1.0
437.25287	100.0
438.25772	4.7
518.25092	2.2
546.24902	4.1
574.27399	1.2
634.29547	36.0
634.39172	2.3
635.30353	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	634.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01860	11.6
55.05509	36.9
55.12804	3.9
57.03413	3.9
57.07058	6.0
67.05499	41.1
69.03416	8.1
69.07059	19.2
71.04982	4.4
71.08616	20.5
79.05484	48.7
81.03416	12.1
81.07047	93.9
83.04969	10.6
83.08604	17.9
85.02907	4.3
85.06560	4.1
85.10168	7.9
87.04449	9.0
89.06026	41.5
91.05467	54.5
93.07038	31.4
95.04967	27.4
95.08607	25.7
97.02853	3.9
97.06519	6.3
97.10137	21.9
105.03381	15.3
105.07023	40.2
107.04958	23.0
107.08583	25.8
109.06475	23.3
109.10140	15.8
111.04451	7.7
111.08087	5.7
115.05437	6.0
117.07029	25.0
119.08588	40.0
121.06482	17.8
121.10130	24.4
123.08059	9.6
125.09612	16.2
129.06985	18.8
131.08524	22.3
133.06465	9.6
133.08577	22.8
133.10129	14.6
135.08031	18.2
135.11694	6.6
137.09618	7.0
143.08495	13.2
145.06424	6.5
145.10118	25.6
147.07996	22.9
147.11699	10.4
149.09599	16.7
153.09068	9.1
153.12740	4.7
154.88820	4.4
155.08463	6.5
157.10147	10.9
159.08054	9.5
159.11617	13.7
161.09592	18.7
163.11176	21.6
165.09088	6.9
171.11653	5.0
173.09663	10.3
175.11095	6.7
177.11205	13.7
177.12700	6.2
178.18317	4.8
181.12273	5.9
185.13214	5.5
187.11218	4.3
189.11209	17.2
191.10693	9.7
193.12154	12.0
213.16278	5.0
227.12646	7.4
245.18892	9.5
255.17389	9.6
273.18417	78.7
275.20029	15.3
289.17941	13.1
291.19568	100.0
291.23044	11.6
293.21112	5.8
307.18829	7.1
309.20605	6.7
581.03522	4.9
599.39197	6.1
634.28107	18.2
634.39044	5.4
635.28394	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	635.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.5
53.03937	2.1
53.04148	0.3
55.01613	0.5
55.01865	9.2
57.03429	3.1
61.02910	1.6
69.03420	21.6
69.07075	0.4
69.31245	1.2
69.31643	0.5
70.06566	0.8
71.01343	1.0
71.05001	0.3
73.02907	5.5
73.03290	0.6
74.50735	0.3
85.02894	8.3
87.04444	1.4
89.73637	0.3
95.04971	0.6
97.02879	53.4
105.03381	1.1
105.06978	0.4
107.04975	0.4
111.00780	0.4
112.07574	0.5
115.03914	50.4
121.02846	6.5
121.03772	0.4
122.03146	0.6
127.03890	0.7
137.02286	0.7
147.04431	0.8
153.01785	3.1
157.04941	53.5
158.05286	0.6
165.01820	1.3
175.05992	18.3
183.02879	0.7
185.06006	0.7
191.72314	0.3
213.05478	1.1
231.06502	0.9
241.04945	0.9
258.05182	1.0
287.05453	100.0
288.05780	2.9
299.05334	0.7
309.87708	0.3
311.05475	1.4
329.06537	1.6
340.36038	0.3
371.07669	0.8
383.07794	0.5
461.10742	6.7
634.28442	3.9
635.28882	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	635.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03938	3.8
55.01864	1.7
56.05003	0.8
57.03421	1.2
58.06319	0.5
58.06591	3.5
66.78369	0.5
69.03419	22.5
69.09589	3.8
73.02905	6.8
77.03908	0.7
85.02391	1.0
85.02891	12.8
85.03401	0.9
95.04953	3.4
97.02876	77.1
98.03246	0.8
98.22674	1.2
105.02668	1.0
105.03376	20.1
105.04491	1.4
106.03711	2.5
107.18935	0.5
115.03910	46.6
121.02843	1.9
121.06521	0.7
121.93977	0.5
127.03900	2.0
135.04462	0.6
138.09116	0.7
147.04399	0.6
147.19995	0.6
153.01767	0.8
156.92403	0.5
157.04941	100.0
158.05252	0.8
165.01848	0.6
175.06027	0.9
179.08582	0.7
181.10143	0.5
197.09445	0.6
217.07034	3.5
249.09328	0.8
287.05466	40.2
288.05896	1.0
299.05618	1.6
370.16577	1.5
374.19745	0.6
383.07355	0.7
419.09674	1.6
425.09473	0.7
443.09778	0.8
503.11694	2.4
556.25330	0.9
557.26080	0.7
574.26337	2.9
575.26727	2.4
634.28442	21.5
635.28766	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	635.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29747	0.3
55.01843	0.3
56.32315	0.2
58.06543	0.3
69.03419	12.0
69.22114	1.4
73.02917	0.3
77.03901	0.4
85.02911	0.6
86.44197	0.2
88.30460	0.3
89.47424	0.2
94.06577	0.3
95.04952	1.3
97.02876	100.0
98.03224	0.7
105.03374	9.0
105.04475	0.6
105.07014	0.4
106.03712	1.1
108.08139	0.4
115.03893	1.3
115.05399	0.3
119.04946	0.3
121.02872	1.3
132.08055	0.3
139.03877	31.7
144.08078	0.3
154.46867	0.2
157.04941	13.5
199.05983	3.8
207.08038	0.4
217.07011	3.6
224.10620	0.3
287.05438	6.4
311.05399	1.1
329.06604	0.9
342.17065	0.3
356.14832	0.6
357.14832	0.5
365.06393	0.7
371.07620	0.6
383.07715	0.4
442.80164	0.3
443.09521	0.2
503.11783	0.6
515.24316	0.4
525.22815	0.3
574.26831	1.8
575.26923	1.7
634.17682	0.3
634.28448	9.9
635.28723	13.2
636.28442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02331	0.4
51.08052	0.2
51.14836	0.2
52.43442	0.2
53.03900	0.8
53.04122	0.2
55.01830	0.5
57.03392	0.3
58.06562	0.5
59.04946	0.3
67.05438	0.4
68.99758	0.5
69.03420	17.8
69.03783	0.7
69.10050	1.5
73.02859	0.8
75.04413	0.6
77.03875	0.5
79.05447	0.7
81.03388	0.3
85.02892	2.4
91.05437	0.6
92.05809	0.4
94.06516	0.7
95.04965	3.0
96.05267	0.6
97.02881	20.9
105.03379	18.2
105.04391	1.3
105.06988	0.6
106.03713	5.5
107.03897	0.6
107.04900	0.5
108.08088	0.4
109.02814	0.3
109.06513	0.3
111.00774	0.3
115.03916	17.8
117.06964	0.3
117.10790	0.2
121.02853	2.3
121.06448	0.3
125.02319	0.5
127.03906	0.3
128.06195	0.3
129.06924	0.7
130.07271	0.3
131.08571	0.3
132.07962	0.3
133.02803	0.5
135.04362	0.3
137.02258	0.5
138.09065	0.8
143.08531	0.3
146.06805	0.3
147.04382	0.6
153.01805	2.6
154.07370	0.2
155.08467	0.4
157.04948	12.3
157.06329	0.7
158.05247	0.4
158.09505	0.3
165.01773	1.3
165.06969	0.4
166.07625	0.2
167.08456	0.4
170.09451	0.4
175.06027	3.2
178.07744	0.3
179.08420	0.4
183.02849	0.6
185.05974	0.6
194.10350	0.2
206.10478	0.3
213.05511	1.4
222.09875	0.3
231.06375	0.6
241.04912	0.8
258.05225	0.9
259.05814	0.4
271.65784	0.2
287.05450	100.0
288.05844	2.8
299.05243	0.4
356.18631	0.3
370.16394	0.4
371.16904	0.4
461.10654	3.3
488.96994	0.3
510.23849	0.8
511.24127	0.5
541.26007	0.5
542.26666	1.9
543.26617	0.6
574.27124	1.1
575.27441	0.4
602.61523	0.3
634.30872	25.8
635.30402	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	635.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	0.3
51.02343	0.4
51.55161	0.2
53.03933	1.1
55.01866	2.1
57.03426	1.7
58.06548	0.7
59.04964	0.3
59.06898	0.3
61.02894	0.6
67.05423	0.2
68.99760	0.5
69.03418	16.2
69.10355	1.1
70.06554	0.4
71.01317	0.3
71.04968	0.3
73.02910	2.0
74.06042	0.3
75.04455	1.1
77.03873	0.9
78.04211	0.2
79.05423	0.8
81.03375	0.5
82.06557	0.5
84.08076	0.3
85.02885	3.9
87.04406	0.7
88.07560	0.3
91.05431	0.6
93.06986	0.3
94.06535	0.5
95.04961	3.9
96.05235	1.0
97.02877	25.5
98.03175	0.5
105.03377	23.3
105.04387	1.6
105.06965	0.6
106.03707	8.2
106.04768	0.3
107.03857	1.3
107.04835	0.4
108.08071	0.6
109.02789	0.2
109.06480	0.3
109.08316	0.2
111.00751	0.5
111.04302	0.3
115.03913	19.7
116.10612	0.2
117.06951	0.3
118.07320	0.3
121.02847	1.8
123.04366	0.5
124.07491	0.3
125.02364	0.4
126.52893	0.2
127.03841	0.4
128.06200	0.4
129.06931	0.9
132.07970	0.3
132.08894	0.3
133.02786	0.3
135.07971	0.3
137.02336	0.5
138.09053	1.0
139.03845	1.3
139.09433	0.4
141.06937	0.5
142.07245	0.4
143.08488	0.3
144.07965	0.3
145.06378	0.3
147.04332	0.5
153.01804	2.7
153.06871	0.8
154.07622	0.3
155.08481	0.8
156.08902	0.5
157.04945	14.3
157.06314	0.8
158.09528	0.3
159.07936	0.5
159.10065	0.3
165.01785	1.2
165.06929	0.5
166.07382	0.4
167.08488	0.4
168.08836	0.3
170.09544	0.3
175.05981	3.1
176.10616	0.4
180.08836	0.6
183.02896	0.6
185.05978	0.3
185.09572	0.4
185.11578	0.3
190.07692	0.3
191.08203	0.2
192.08844	0.5
194.10455	0.3
195.08025	0.3
196.11143	0.3
197.11449	0.5
203.08452	0.3
204.08792	0.3
205.10020	0.3
206.10382	0.4
213.05379	1.3
215.08563	0.4
217.07024	0.8
221.09486	0.4
223.11073	0.3
231.06348	0.5
232.08624	0.2
233.09462	0.5
241.04890	0.9
250.09683	0.2
250.98814	0.2
258.05161	0.9
259.06042	0.3
269.04416	0.3
272.20599	0.2
287.05444	100.0
288.05780	2.9
299.05392	0.7
383.07205	0.3
383.33768	0.2
461.10696	6.2
478.21439	0.3
509.23291	0.4
510.23840	1.3
511.24359	0.6
541.26239	1.0
542.26398	3.5
543.26581	1.2
574.28546	0.9
575.28076	0.4
602.28900	0.5
634.31110	37.3
635.31281	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	636.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.8
58.38843	0.5
58.93808	0.5
59.29629	0.5
64.30688	0.5
65.03934	3.5
69.03414	0.6
70.06585	0.7
70.86230	0.6
72.04520	0.6
73.52071	0.5
74.06080	0.8
77.39664	0.6
79.05482	0.8
81.03417	0.8
82.06564	0.7
84.08112	0.8
85.02891	1.5
91.05460	0.9
94.06551	1.4
95.04938	0.7
95.28889	0.5
96.08084	0.7
102.66951	0.5
105.03354	0.5
105.07006	0.8
105.59945	0.5
108.08099	1.5
109.02822	0.6
110.09685	0.6
111.04420	2.7
112.07598	0.7
115.05450	0.6
116.97252	0.5
117.03381	0.9
117.07045	0.8
119.04890	0.7
120.08077	1.2
121.02853	79.0
121.03916	3.4
122.03187	0.8
124.07595	1.3
126.09126	0.8
129.06992	1.2
131.08589	0.6
136.07552	0.8
137.05930	1.1
138.09146	0.8
141.07063	0.8
145.02855	1.7
145.06458	0.6
146.09599	1.3
147.04424	1.5
148.07570	1.0
151.44096	0.5
154.08640	0.7
158.09677	0.9
160.07553	1.7
166.08688	1.5
167.08524	0.8
173.05951	0.6
177.05481	3.8
178.07689	0.8
179.08453	0.8
181.06496	0.7
181.10065	0.6
186.09142	0.7
191.08559	0.7
193.10092	0.9
195.08067	0.7
203.08696	0.9
207.08160	0.8
209.09634	0.8
212.16441	1.0
218.07260	0.7
221.09602	1.5
231.08107	0.7
235.07460	0.8
237.09239	0.9
240.10304	0.7
249.09108	1.4
253.08556	0.9
261.09225	0.6
286.84467	0.6
295.09744	0.7
297.73438	0.5
356.14935	3.5
370.16568	1.0
388.17538	0.8
402.19073	1.2
406.18356	0.7
420.20224	1.2
438.21188	1.0
498.21173	1.2
508.19522	1.0
516.22015	1.2
526.20099	0.8
540.22235	3.0
558.23444	2.3
576.24426	7.9
577.25238	0.6
600.23914	1.1
601.23291	0.8
618.08423	0.7
636.26361	100.0
637.26752	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	636.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61773	1.2
53.03932	1.9
55.05504	10.3
57.03431	11.9
57.07049	1.4
57.14696	1.3
57.58799	1.4
58.06578	5.1
59.05003	2.3
61.02919	3.0
62.06093	2.0
63.14198	1.2
65.03934	1.6
67.05495	71.8
69.03417	3.7
69.07053	5.9
71.04987	6.9
71.43793	1.3
79.05484	17.0
81.03409	42.7
81.07047	21.8
83.04965	9.0
83.08612	17.4
85.02894	23.1
85.06520	4.0
91.03955	2.5
91.05473	22.6
93.07034	13.1
95.04958	18.2
95.08581	8.9
97.02887	6.2
97.06512	1.6
97.10159	2.6
105.03385	5.4
105.07015	8.6
107.04951	4.0
107.08563	8.7
109.06508	3.0
109.10141	61.5
111.04423	1.4
111.08056	11.0
113.05950	1.2
117.07015	2.3
119.08562	15.7
121.10139	6.6
123.08018	1.3
127.03871	2.0
129.06978	7.8
131.08549	6.1
133.10135	6.1
137.09601	3.8
145.04953	2.1
145.10141	2.1
147.08026	2.2
147.11696	10.3
149.09613	4.1
155.10634	3.1
157.10121	8.0
165.12793	2.4
173.11720	16.7
173.62544	1.9
175.11130	8.8
189.05328	1.6
193.12224	27.4
211.13263	41.5
212.13567	1.3
229.14311	63.9
230.14676	1.6
257.63284	1.2
267.15884	11.2
278.35745	1.5
285.16931	35.6
421.25787	15.1
439.26859	100.0
440.27106	5.3
450.19391	1.4
492.29495	3.9
636.28668	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	636.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01867	10.7
55.05506	50.5
57.03428	4.4
57.07057	2.9
65.03948	4.5
67.05496	61.1
69.03437	4.2
69.07059	31.5
71.04984	3.5
71.08617	4.0
79.05488	55.1
81.03395	19.2
81.07045	72.3
83.04971	15.3
83.08604	45.0
83.89881	3.4
89.06017	3.8
91.05476	51.2
93.07026	46.2
95.04951	59.6
95.08589	34.2
97.06509	14.3
97.10165	19.0
105.03238	3.1
105.07020	45.0
107.04939	29.7
107.08582	34.2
109.06493	14.8
109.10162	11.1
111.04434	8.1
111.08073	7.4
117.06992	18.6
119.08584	46.1
121.06491	10.8
121.10127	27.5
123.08073	18.4
125.09637	17.2
128.06218	3.8
129.06984	5.5
131.08554	19.7
133.10107	26.8
135.08038	10.7
135.11670	14.0
137.09622	4.7
139.11151	6.0
141.07028	4.6
143.08522	6.8
145.06577	4.5
145.10097	29.1
147.08029	10.5
147.11679	17.3
149.09615	26.6
149.13243	4.5
153.09111	4.5
155.08578	6.0
157.10100	5.6
159.07990	3.0
159.11646	10.6
161.09578	4.3
161.13206	3.6
163.11159	38.1
165.12727	4.7
169.10098	6.5
171.11682	5.7
173.09633	5.6
173.13223	6.1
175.11172	4.4
177.09262	2.9
184.64743	2.9
187.11142	3.5
189.11115	17.7
191.10597	5.1
193.12263	3.6
205.12277	4.5
223.13226	26.8
227.12808	7.4
229.19432	5.2
239.17987	8.1
257.18881	12.6
273.18536	19.8
275.20035	100.0
276.20349	3.5
291.19489	59.9
292.19727	3.4
293.21088	82.3
309.20547	21.2
321.98865	3.0
418.26318	3.0
502.24640	3.6
636.40643	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	636.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.6
55.01859	7.3
55.05505	26.0
57.03426	3.0
57.07058	3.1
61.66510	1.6
65.03935	2.0
67.05492	31.0
69.03410	3.9
69.07059	14.6
71.04983	2.8
78.80363	1.6
79.05483	34.4
81.03391	5.2
81.07044	70.9
83.04957	8.4
83.08615	12.4
85.06500	2.5
89.06019	4.5
91.05469	26.1
93.07034	22.0
95.04956	17.5
95.08598	16.3
97.06520	5.0
97.10161	17.3
99.04419	1.9
105.07024	19.8
107.04963	14.2
107.08566	16.4
109.06505	15.5
109.10118	9.3
111.04430	7.1
111.08056	6.1
117.07014	10.9
118.67017	1.6
119.08554	28.5
121.06491	8.7
121.10155	11.2
122.10480	2.0
123.08063	8.8
123.11676	2.9
125.09604	12.3
128.06183	2.1
129.06981	4.3
131.08551	12.3
133.06471	2.6
133.08542	2.1
133.10101	11.7
134.34653	1.8
135.08086	10.5
135.08891	2.0
135.11662	5.9
136.08423	1.8
137.09628	3.9
138.57245	1.6
139.11194	3.2
142.07719	2.5
143.08533	6.7
145.10112	17.1
147.08043	14.0
147.11687	8.0
149.09578	10.2
149.13240	3.3
151.11169	2.9
153.09093	3.9
153.12811	2.1
157.10100	5.7
159.08032	4.0
159.11653	3.0
161.09558	5.8
161.13228	2.4
163.11203	9.4
163.42870	1.7
165.09099	4.9
165.12801	2.0
166.47453	1.7
169.10161	2.3
171.11687	3.7
173.09622	3.8
173.13242	2.5
175.11305	3.6
177.12659	2.7
181.12253	3.1
185.09657	2.3
187.14825	2.0
189.11223	10.5
191.10693	4.1
193.12190	2.3
223.13243	5.9
227.12743	8.7
229.19296	1.9
239.18025	2.4
245.18941	3.3
247.20451	1.9
249.14941	4.2
255.17416	3.3
257.19119	2.5
273.18427	24.6
275.20004	35.4
291.19504	100.0
292.19928	3.2
293.21152	8.1
309.20621	9.2
407.42648	1.8
601.39783	2.2
636.39392	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.28630	0.1
55.01852	0.2
57.03436	0.7
59.04976	0.3
61.02911	1.2
68.99796	0.2
69.03420	5.3
69.03796	0.3
69.08804	0.5
69.09219	0.4
71.04692	0.1
71.04990	1.6
73.02890	0.5
77.99983	0.1
78.54681	0.1
81.03409	3.0
83.01318	0.4
83.04974	0.3
85.02895	5.9
87.04443	0.3
88.39654	0.1
90.24643	0.2
95.04941	0.2
97.02879	13.4
97.06523	0.2
99.04443	2.4
105.03365	0.2
105.06986	0.2
107.04941	0.4
109.02158	0.3
109.02861	2.7
111.00777	0.6
111.04386	0.1
115.03899	0.2
121.02855	2.0
122.31062	0.1
125.05997	0.2
127.03899	3.0
129.05461	0.2
131.04892	0.2
133.02827	0.4
135.04376	0.2
137.02313	0.5
137.05943	0.4
143.06990	0.2
145.04938	6.0
145.10068	0.2
146.05325	0.2
147.04381	0.5
153.01802	2.9
157.06410	0.2
157.45511	0.1
161.05977	0.2
165.01814	1.5
165.09044	0.2
171.04300	0.2
183.02853	0.6
185.05948	0.4
187.05989	0.3
205.07048	0.3
207.10196	0.2
213.05479	1.1
231.06505	0.6
233.11729	0.2
241.04840	0.9
258.05261	0.8
259.05954	0.3
269.04529	0.1
287.05450	100.0
288.05792	3.6
299.05399	0.2
365.06360	0.2
433.05569	0.3
433.11255	3.8
477.24512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1754
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03931	3.1
55.01855	0.7
56.03961	0.5
57.03420	1.5
61.02914	3.9
69.03419	42.0
69.12763	3.4
69.13174	0.9
71.04992	2.7
73.01929	0.5
76.20607	0.6
81.03407	16.5
81.03884	1.0
83.01314	2.0
85.02892	39.5
97.02880	35.0
99.04443	12.1
109.02863	100.0
110.03174	1.7
111.00787	0.7
115.03922	0.7
121.02864	2.5
127.03897	57.1
128.18355	0.6
139.03880	6.8
145.04941	13.6
153.01825	2.5
165.01834	0.8
169.04933	13.9
187.05989	16.7
205.07042	20.4
213.05415	1.1
241.04985	0.9
287.05447	93.7
288.05759	3.7
297.76334	0.6
433.11234	1.5
452.67792	0.6
587.61230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01861	1.0
57.03422	2.2
61.02924	2.8
69.03417	8.8
69.67690	0.5
69.68028	1.7
71.04984	2.9
73.02894	0.9
81.03404	14.3
81.03890	0.7
83.01333	1.9
83.04983	0.8
85.02891	100.0
86.03250	0.7
95.04993	0.5
95.86719	0.5
97.02879	99.9
98.03205	1.1
98.22665	0.6
99.04436	9.3
101.02364	0.6
108.39276	0.4
109.02863	35.3
111.00807	0.6
115.03886	0.6
121.02857	1.4
127.03896	36.7
135.96788	0.5
139.03847	2.3
145.04924	9.3
153.01849	2.3
163.11148	0.5
165.01857	0.9
169.04948	4.7
187.05983	29.0
188.06351	0.7
205.07042	24.6
215.25211	0.5
241.04919	0.6
287.05460	58.4
288.05725	2.3
368.76505	0.6
388.97546	0.5
422.93600	0.5
433.11145	1.4
490.82376	0.5
491.11569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1755
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
51.27954	0.2
53.03942	1.6
55.01865	0.5
57.03417	0.4
59.04983	0.2
60.00627	0.2
60.03916	0.2
61.02912	0.5
63.22684	0.2
68.99802	0.4
69.03424	5.0
69.60923	0.3
69.61298	0.5
71.04980	0.6
73.02893	0.6
81.03406	6.3
85.02894	4.2
86.06048	0.7
90.09684	0.2
97.02879	4.5
99.04438	1.0
99.33105	0.2
109.02866	5.2
109.03566	0.2
111.00761	0.4
116.10721	0.8
121.02858	1.5
127.03899	4.3
129.05518	0.3
133.04987	0.2
136.53268	0.2
145.04918	0.6
145.06409	0.3
147.04468	0.3
153.01805	2.1
157.06512	0.2
165.01845	1.2
179.71196	0.2
183.02881	0.5
187.06007	3.4
205.07114	0.2
208.05760	0.2
212.16397	0.6
213.05487	0.8
225.57903	0.2
230.17580	0.3
231.06485	0.4
241.04977	0.6
258.05197	0.6
259.05917	0.5
287.05460	100.0
288.05750	3.5
329.06619	0.4
360.23871	0.3
433.11255	4.7
657.35431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	0.5
57.03421	0.5
58.06559	0.1
59.04989	0.2
61.02917	0.6
67.05518	0.2
68.99797	0.3
69.03421	5.3
69.07059	0.3
69.12615	0.8
71.04986	0.9
72.08138	0.2
73.02909	0.3
79.05479	0.6
81.03408	5.2
81.07048	0.3
83.01324	0.3
83.04979	0.2
85.02894	5.3
86.06070	0.8
87.04438	0.3
93.07017	0.3
95.04936	0.2
96.08103	0.2
97.02879	5.9
97.06525	0.3
99.04447	1.2
99.79609	0.1
101.36809	0.1
103.03963	0.2
105.03393	0.2
105.07005	0.2
107.04951	0.4
107.08587	0.3
109.02166	0.3
109.02859	3.1
111.00775	0.5
116.10719	1.3
119.84485	0.2
121.02853	2.0
121.06473	0.3
121.10097	0.3
127.03895	3.6
129.05473	0.3
129.07057	0.2
131.08607	0.2
133.02855	0.4
133.05070	0.2
135.04367	0.3
137.02309	0.5
137.05965	0.2
142.08609	0.5
145.04945	0.7
145.10094	0.3
147.04388	0.6
153.01807	2.6
157.06461	0.2
163.09752	0.1
165.01837	1.3
177.05421	0.3
183.02905	0.7
185.05898	0.3
185.11699	0.2
187.05991	2.9
203.06967	0.2
205.07051	0.7
210.21794	0.1
212.16414	0.9
213.05467	0.9
213.16820	0.2
230.17470	0.3
231.06467	0.7
241.04903	0.7
258.05194	0.8
259.05896	0.5
269.04568	0.3
287.05447	100.0
288.05798	3.0
342.22849	0.3
343.22992	0.2
360.23804	0.3
374.21729	0.2
433.11295	4.2
434.11752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16701	0.4
53.00302	0.7
53.03939	0.7
55.05513	0.6
57.03429	0.7
57.07069	0.5
61.02915	1.8
67.05505	1.5
69.03417	0.7
69.07056	0.9
71.08607	0.6
73.02914	0.8
77.03976	0.4
79.05476	1.3
81.03410	0.7
81.07050	2.7
83.08617	0.6
85.02891	2.2
91.03946	0.8
91.05472	0.9
93.07045	0.8
95.04967	2.5
95.08612	0.9
97.02896	1.5
97.10137	0.4
98.22620	1.0
99.04484	0.5
104.05000	1.0
105.03383	13.2
105.04489	0.8
105.06994	0.6
107.08575	0.9
109.02936	0.5
109.06517	1.3
109.10115	0.5
117.07045	0.5
119.08592	0.4
121.10143	0.4
125.09638	0.4
127.03950	0.5
130.06508	0.7
131.08569	0.5
145.10075	0.4
147.08058	0.5
161.09608	0.5
163.95340	0.4
186.05508	1.1
190.48759	0.4
198.05487	9.9
214.05168	0.7
220.91682	0.4
225.65756	0.4
236.59409	0.3
259.09695	0.4
273.18442	0.8
275.20157	0.6
279.12643	0.6
280.09631	1.2
280.12531	0.5
292.09741	0.7
294.11282	1.1
295.12186	0.6
299.09451	0.6
304.09753	0.6
305.10547	0.6
306.11191	1.3
307.11957	1.1
308.09174	0.6
308.13092	0.4
309.13599	1.3
313.27301	2.0
314.08231	0.6
317.10400	0.9
318.11142	0.5
322.10773	1.0
323.11728	0.8
324.12207	0.6
325.12677	0.7
326.08005	0.5
327.08981	0.5
328.09683	0.9
329.10599	0.6
330.07535	0.7
331.08167	0.8
332.09091	0.8
333.10217	0.6
333.13757	0.6
334.10516	0.9
338.13870	5.7
339.14545	0.5
342.07764	0.8
343.11719	0.4
344.09113	0.9
344.12976	0.5
345.09747	0.6
346.10809	0.8
348.12466	0.6
352.15454	1.6
353.16144	5.2
354.16418	0.4
355.08218	0.4
356.09180	1.8
357.09863	0.6
358.06979	0.6
358.10864	0.6
359.11496	0.8
360.12332	0.5
362.10196	0.5
368.09207	1.2
370.10828	0.9
371.11072	1.4
372.12170	1.1
373.09442	0.5
378.13422	0.9
386.06357	0.5
386.13849	1.1
388.11752	0.9
392.14874	1.5
396.08533	0.6
398.10233	0.7
399.09979	0.6
402.13855	0.6
403.14230	0.5
404.15198	0.8
405.12366	0.5
414.13385	1.5
416.11374	0.9
418.12720	0.8
419.14575	0.5
431.14069	0.9
433.11768	0.7
442.12827	2.4
443.10547	0.5
444.11093	0.5
445.11621	0.8
448.13626	0.5
457.11581	0.5
459.13257	1.3
459.69620	0.4
460.13959	0.8
463.16525	1.6
470.12216	0.9
473.10556	0.5
474.15671	0.6
475.16318	0.7
477.17984	1.2
487.13055	1.6
488.13834	0.6
491.15961	3.5
498.12262	1.1
499.12640	1.9
503.15781	1.7
505.17538	2.2
506.18073	1.3
514.15094	1.7
515.12775	1.2
519.15350	2.0
521.20697	3.4
529.13721	2.1
533.16956	1.4
534.17554	0.6
545.16937	0.8
547.15173	1.4
549.20135	1.3
557.13525	0.8
562.14691	0.5
572.15503	1.3
573.16443	1.5
575.14410	12.5
576.14752	1.0
590.16687	10.8
591.17511	13.6
591.27026	0.7
592.17352	1.5
593.15698	2.1
605.19098	100.0
606.19373	7.6
608.17822	1.0
622.19403	0.8
623.20148	34.2
624.20361	3.3
637.21698	6.4
637.39832	1.8
638.22021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05792	0.9
55.05494	1.1
59.13067	1.1
66.82281	1.0
67.05494	1.7
70.82980	1.7
78.98370	1.1
79.05467	1.8
81.07027	2.5
91.05462	2.0
93.06998	1.2
130.30113	0.9
134.66594	1.1
172.18169	1.1
230.91084	0.9
276.20419	1.2
376.17450	1.1
377.17844	1.5
385.14621	1.0
390.18799	1.1
391.19067	2.3
392.19861	1.8
393.20706	2.7
398.15921	1.3
399.15982	3.0
400.16547	3.3
401.17258	4.3
405.20706	1.6
407.22119	4.5
413.17419	3.2
414.18411	5.6
415.19409	9.1
416.19669	2.0
417.20905	1.5
421.20108	3.4
425.17490	1.4
427.19336	1.7
428.19736	3.2
429.21094	10.6
430.21533	2.8
435.21622	1.4
441.16870	1.7
442.17191	1.5
443.18073	3.5
443.22534	3.9
444.19244	4.3
445.20096	3.0
447.22467	1.4
456.19861	1.4
457.20499	4.6
458.20752	5.9
459.22244	1.4
470.16641	1.6
471.22299	5.9
472.23117	5.6
473.19522	3.8
474.20520	2.2
485.19522	3.8
486.20364	6.5
487.20898	3.0
489.23062	1.4
490.19739	2.0
499.21384	10.4
500.22086	2.0
502.19702	2.1
503.23822	4.0
513.19293	1.5
516.21326	2.2
517.22174	4.1
527.21082	2.0
531.23822	13.2
543.23773	1.5
559.23291	100.0
560.23615	6.8
587.15601	1.1
587.22913	13.9
619.25409	97.9
620.25684	6.4
637.26428	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	639.1546
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
53.03938	3.1
55.01859	3.4
57.03427	3.0
58.06586	1.3
61.02933	1.2
69.03419	25.7
70.06586	1.0
71.04989	0.6
73.02908	8.5
74.77312	0.5
75.33107	0.5
79.05476	0.6
81.03409	1.4
81.07047	0.7
85.02891	16.8
91.05471	1.6
93.07047	0.9
95.04971	0.6
97.02879	87.5
98.03201	0.9
99.04439	0.8
105.07010	1.1
107.08575	0.8
109.02859	3.4
112.07533	0.5
115.03912	61.9
119.04916	2.0
119.08571	3.4
120.08893	0.7
121.02882	0.6
127.03910	3.6
133.10150	1.6
135.11620	0.6
137.02356	2.6
137.03287	0.8
138.22975	0.5
145.02788	0.6
145.04904	1.1
146.73694	0.5
147.04375	1.0
153.01807	1.9
157.04939	100.0
158.05275	1.4
163.03856	0.9
164.07004	0.9
165.01828	1.3
175.03856	1.8
175.06001	20.9
175.14795	4.4
176.04236	1.0
176.15121	0.9
177.05438	1.7
182.78487	0.5
187.05991	1.0
201.05505	0.7
205.07088	1.0
207.06491	5.6
208.06850	2.3
209.35852	0.6
229.04921	2.6
247.05893	0.7
257.04407	1.5
257.27335	0.6
274.04813	0.7
285.03806	1.2
296.10413	0.5
299.05124	0.6
303.04944	57.2
304.05258	1.6
314.53342	0.5
327.04810	0.9
345.06012	1.8
369.11884	0.7
398.23126	0.9
405.05728	0.5
451.91733	0.6
458.30695	0.5
465.10178	2.8
476.26123	0.9
477.09970	0.9
477.26819	0.8
638.32642	0.7
639.21295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85029	0.2
53.03946	0.4
55.01853	0.6
57.03423	0.9
58.06581	0.4
60.18638	0.2
61.02922	1.0
64.27838	0.2
65.03922	0.2
67.01868	0.2
67.05467	0.3
68.99783	0.6
69.03418	3.1
70.06586	1.0
70.08325	0.2
71.04977	0.5
73.02899	0.4
73.06598	0.2
79.05469	0.2
81.03410	1.7
81.07031	0.4
83.04930	0.2
85.02397	0.4
85.02892	6.3
86.09720	0.2
87.04441	0.3
89.22581	0.2
91.03927	0.3
91.05461	0.6
93.03387	0.2
93.07024	0.3
95.04937	0.4
95.08613	0.3
97.02872	3.2
99.04436	0.4
107.04945	0.4
109.02841	0.9
111.00784	0.8
112.07572	0.5
115.03912	1.0
117.03357	0.3
119.04921	0.9
121.02873	1.0
121.06521	0.3
121.10129	0.4
127.03894	1.3
128.38017	0.2
135.04460	0.3
137.02321	3.2
137.03374	0.3
137.05975	0.2
138.09048	0.2
140.07031	0.5
145.02823	1.1
145.04903	0.6
147.04379	2.7
148.04651	0.2
149.02306	0.5
149.06010	0.2
153.01799	4.0
154.02226	0.2
157.04939	0.9
161.05943	0.2
163.03882	0.6
165.01816	1.7
166.02568	0.2
173.06007	0.3
175.03821	0.9
175.05989	0.7
177.05426	2.1
183.02823	0.7
187.03802	0.3
191.03378	0.2
191.06979	0.2
201.05423	1.4
207.06462	1.8
208.06860	0.7
213.05418	0.2
219.06490	0.2
222.09839	0.2
229.04922	4.2
247.05978	0.8
257.04425	3.0
274.04642	0.7
275.05170	0.2
285.03891	1.1
303.04929	100.0
304.05273	3.4
308.48035	0.2
440.29495	0.2
476.31671	0.3
477.10165	7.1
477.17020	0.4
478.10886	0.4
639.20917	0.4
640.23529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1548
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
53.03936	1.9
55.01862	1.6
57.03426	3.4
59.73034	1.0
61.02923	7.5
65.03934	1.5
69.03417	39.5
69.25320	5.6
71.04983	2.5
73.02905	24.0
79.05494	1.3
81.03413	13.0
81.07043	1.4
83.01308	1.4
85.02393	2.5
85.02889	33.8
87.04417	1.3
95.04909	1.0
97.02875	34.5
97.12009	1.0
99.04443	10.4
109.02860	89.4
110.03220	1.3
115.03937	6.3
116.76503	1.2
119.29939	1.1
121.02848	2.2
123.54076	1.1
127.03893	56.7
133.04961	2.0
137.02332	3.6
139.03880	5.1
145.04941	17.4
153.01802	2.5
157.04951	2.8
161.12492	1.2
165.01843	2.5
169.04927	16.3
187.06007	19.4
201.05528	1.3
205.07045	67.0
206.07376	2.2
229.04927	4.3
247.06255	1.5
257.04327	1.5
287.05447	13.4
288.05756	9.5
289.06018	7.8
303.04935	100.0
304.05353	4.9
331.08167	1.6
345.06149	1.8
351.20413	1.2
360.16095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33624	0.3
55.01839	0.5
55.05462	1.4
55.12458	0.3
57.03390	0.6
65.03889	1.2
67.05489	2.9
69.07024	1.0
79.05473	4.0
81.07042	4.1
83.04937	0.5
83.08568	1.2
91.05457	2.3
92.04910	0.3
93.07039	1.9
95.04926	1.2
95.08589	1.8
97.06463	0.4
97.10142	0.5
105.07006	2.7
106.02888	2.2
107.03677	0.3
107.04892	1.3
107.08594	1.7
108.04414	0.4
109.06516	2.2
109.10126	0.7
115.05401	0.3
117.06955	1.0
119.08531	1.5
120.04382	0.3
121.02837	8.4
121.06493	0.4
121.10056	0.7
122.03126	0.4
125.09584	0.4
129.06998	0.6
131.08501	1.2
132.04083	0.3
133.10063	0.9
135.03146	2.1
135.08017	0.5
135.11656	0.4
136.03851	0.5
143.08482	0.8
145.10065	1.0
147.07930	0.5
147.11610	0.9
148.03914	2.4
149.09531	0.6
152.03397	6.6
153.04160	0.8
153.06575	0.5
159.08008	0.4
159.11621	0.9
161.09564	0.8
163.11153	0.9
166.05002	4.0
167.05724	0.8
171.11554	0.5
180.06490	1.3
181.06082	0.4
193.06122	0.4
194.18732	0.4
228.06572	0.6
237.07858	0.4
239.06952	0.7
248.07001	0.7
249.07806	2.0
250.08527	1.3
257.18872	0.5
262.08508	0.8
263.09372	0.8
264.06540	0.6
265.07465	0.4
266.08136	1.1
267.06339	0.5
267.08969	0.5
273.18307	1.9
275.20010	3.2
276.06479	1.0
277.07190	1.3
278.08017	4.4
279.08817	1.1
280.06299	0.7
280.09622	1.5
281.07901	1.4
283.09546	0.8
290.08029	5.4
291.08618	1.6
291.19400	1.3
292.05853	1.1
292.09677	1.5
293.06845	1.3
293.10455	0.5
293.21048	0.8
294.07553	4.5
294.11133	1.3
295.08261	3.2
296.09058	2.2
304.06192	0.4
305.06540	0.4
306.07562	10.9
306.10873	0.5
307.08316	1.5
307.11710	0.5
308.09082	14.5
309.06458	0.7
309.09964	0.9
310.07379	0.5
310.10721	7.1
320.09232	0.6
322.07047	2.4
322.10602	11.6
323.07782	1.0
323.11313	1.1
324.08600	8.9
325.09335	0.6
326.13770	0.7
327.12253	2.2
336.08511	2.1
336.12204	10.8
337.09317	2.8
337.13025	9.0
338.10168	12.5
338.14151	0.8
339.10953	6.0
340.11884	2.5
347.22113	0.9
348.08655	1.0
349.23718	0.8
350.10074	0.5
352.11725	9.5
354.13290	39.2
355.13718	1.2
357.12579	0.4
366.13333	0.5
370.09729	0.5
372.10907	0.4
373.11890	0.4
382.09470	0.5
383.10577	0.8
384.10910	0.9
385.11731	1.2
394.09314	0.5
395.10114	0.9
396.11356	2.4
397.12042	0.8
398.09009	0.5
399.09482	0.6
400.10770	0.7
401.11191	2.2
411.09714	1.0
412.10434	1.0
413.11331	3.8
414.12131	1.3
415.12897	0.9
423.09506	0.4
424.10501	1.4
426.12091	1.2
427.12772	1.3
428.13940	0.9
429.10550	3.1
430.11404	0.6
439.09366	0.5
441.10651	2.7
442.12018	2.3
443.11722	3.5
444.13107	4.2
445.14377	0.7
454.11728	0.5
455.12088	1.3
456.13171	11.7
457.10156	1.5
457.15878	2.1
458.14984	3.6
459.16364	2.3
461.13348	1.7
469.13962	0.5
470.13480	0.5
471.12021	1.8
472.12491	2.0
473.13443	7.2
474.13956	1.4
475.15057	1.9
486.13965	0.7
487.14948	14.1
488.15408	1.5
489.12814	5.2
491.18356	1.8
501.16428	0.6
502.17264	16.0
503.14148	7.3
504.15167	0.8
518.16614	1.7
519.17535	100.0
520.17859	4.3
607.16876	2.4
608.17737	0.6
621.41437	0.7
622.19238	1.7
639.19562	77.1
639.41357	2.5
640.19891	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	639.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.6
51.36641	0.6
55.01812	1.0
55.05468	2.7
67.05502	4.4
69.07030	1.6
79.05482	5.6
81.07046	7.5
83.04939	1.1
83.08594	1.5
91.05470	5.6
93.07034	5.0
95.04961	4.7
95.08547	2.8
97.10104	1.3
105.03380	8.0
105.04446	1.6
105.07021	3.7
107.04899	1.9
107.08550	2.6
109.06449	2.5
109.10101	1.1
111.08031	0.7
111.17827	0.6
113.05952	0.5
117.06968	1.7
119.08569	3.5
121.02791	2.4
121.10080	1.3
123.08019	1.2
125.09650	1.0
126.55728	0.6
129.06966	1.2
130.93120	0.7
131.08521	2.8
133.10075	2.3
135.03110	1.2
135.08034	1.3
135.11609	1.2
143.08572	1.2
145.10052	2.2
147.11601	1.1
149.09583	1.4
152.03372	1.8
157.10129	0.8
159.11591	1.5
161.09483	0.6
163.11166	1.6
166.04936	1.2
169.10120	0.9
171.11636	0.9
173.09529	0.9
189.12750	0.8
223.13225	0.9
234.06773	0.6
237.11203	0.7
249.07777	1.6
250.08618	2.4
251.09424	2.0
252.09984	3.3
262.08426	1.0
263.09378	2.1
264.10037	3.1
265.08478	1.0
265.10974	11.3
266.08075	7.4
266.11417	1.6
273.18475	2.2
275.09061	0.6
275.20035	4.7
277.07388	1.6
277.10947	1.0
278.08084	5.7
278.11377	1.7
279.08820	3.2
279.12494	5.2
280.09641	18.2
280.12604	0.8
281.10272	5.6
290.08026	2.0
291.08835	1.8
291.19519	3.4
292.06412	1.0
292.09637	10.5
293.07806	1.2
293.10513	9.0
293.20990	1.1
294.07581	5.6
294.11154	9.1
295.08386	3.9
295.11954	7.6
296.09128	2.2
296.12717	4.1
305.07529	0.8
305.25800	0.7
306.07550	5.3
306.11057	1.5
307.08374	3.4
307.11948	9.0
308.09113	14.4
308.12570	2.0
309.09778	4.5
309.13528	2.7
310.10654	10.6
310.14163	2.7
311.11026	1.1
311.14444	0.7
315.22931	0.9
320.09143	1.4
322.07172	2.3
322.10681	31.5
323.07620	1.8
323.11356	6.9
323.14938	1.3
324.08588	9.3
324.12173	44.1
325.12762	1.3
326.13852	1.3
336.08582	1.7
336.12247	4.3
337.09338	1.3
337.12979	11.7
338.10083	22.2
338.13834	48.8
339.10831	5.0
339.14508	30.7
340.11557	1.3
352.11871	9.0
352.15948	1.0
353.12448	4.9
353.16168	77.5
354.13248	34.8
354.16855	11.9
355.13657	2.0
368.14874	100.0
369.15482	11.9
401.11179	1.0
409.16910	0.8
413.11243	1.6
429.10812	1.9
440.18100	1.2
441.10916	1.1
443.12253	1.4
444.12891	0.9
456.13425	3.5
457.18869	2.5
458.14334	0.9
459.15796	0.9
461.12979	0.7
471.11945	1.0
472.12326	1.3
473.13647	2.2
474.13953	1.0
487.14920	4.9
489.12830	2.5
491.17978	0.8
502.17050	5.3
503.14517	2.6
518.16852	1.1
519.17548	29.5
520.17578	1.5
607.16931	1.0
621.41016	1.5
624.20972	11.4
639.21332	29.6
639.40521	5.8
640.21143	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	639.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.2
53.03913	2.2
55.01868	3.8
55.05254	1.2
55.05504	15.0
57.03424	2.0
65.03915	2.3
67.05492	14.6
69.03412	1.0
69.07055	7.8
71.14314	1.1
79.05477	21.8
81.03409	3.5
81.07043	37.0
83.04971	4.4
83.08606	8.7
85.02881	1.0
91.05460	16.8
91.05975	1.5
93.07035	14.9
94.06536	1.6
95.04945	13.6
95.08587	8.6
97.06514	2.5
97.10166	3.0
98.22585	1.5
103.05457	1.2
105.07004	12.7
107.04924	7.3
107.08580	8.3
108.08096	1.7
109.06500	18.2
109.10159	4.1
111.04433	1.3
111.08105	2.0
113.32109	0.9
115.05447	1.5
116.04992	1.6
117.06996	8.8
118.06539	1.3
118.88616	0.9
119.08578	12.5
120.04437	2.9
120.08089	7.9
121.06489	4.2
121.10112	6.8
122.05989	1.1
122.09651	2.7
123.08020	2.3
123.11720	1.2
125.09636	2.5
128.06155	0.9
129.07010	3.0
131.08539	8.0
133.06464	1.9
133.10081	5.7
134.06067	1.0
135.08063	3.6
135.11697	2.2
137.09602	1.4
141.07005	1.2
143.08546	3.6
144.04453	2.2
145.06454	1.2
145.10083	8.9
146.05971	3.3
147.08078	3.6
147.11684	3.3
148.07568	1.7
149.09589	5.3
149.13249	1.2
150.09140	1.7
155.08559	2.3
157.10109	2.5
159.08057	2.6
159.11705	3.2
161.09598	4.5
161.13242	1.2
161.39622	0.9
162.05472	1.5
163.11188	6.4
165.12808	1.7
169.10089	1.5
171.11656	3.5
172.03911	7.8
173.09644	1.9
173.13281	1.0
175.11162	2.2
177.12787	1.0
183.09077	1.1
183.11679	1.8
185.13295	1.7
187.08603	1.8
187.11217	1.1
187.14832	1.1
189.11235	1.2
189.12714	1.7
190.04991	1.8
195.09258	1.1
195.11674	1.3
197.10783	1.6
204.06506	10.6
207.09218	1.4
209.10759	1.7
210.11374	1.5
211.08694	2.5
212.09383	1.2
223.13264	1.5
225.10083	4.3
227.11578	4.7
235.08611	1.3
236.09468	2.0
237.10263	2.9
238.10962	1.2
239.11836	1.4
245.19040	2.4
247.08485	1.4
248.09529	1.4
249.10181	6.1
250.10924	2.2
251.11798	3.7
253.09692	2.9
253.13370	1.9
255.17451	1.6
257.18954	2.3
261.10214	1.4
262.10831	1.3
263.08109	1.9
263.11887	1.7
265.09778	1.4
267.11285	1.6
273.18448	14.1
275.11804	1.0
275.20035	14.7
277.09589	2.3
279.11316	2.4
280.09616	1.7
285.12387	3.4
291.11227	1.1
291.19495	9.2
299.14017	1.4
307.11075	1.9
311.13965	1.6
313.12601	1.6
314.12875	3.2
315.13889	1.2
316.14301	1.3
324.11526	1.6
325.12045	2.1
326.12973	2.5
327.13855	3.2
328.14313	4.5
329.15115	1.6
332.14078	1.0
338.13635	5.0
339.13513	4.7
340.14450	3.0
341.11273	1.7
341.15326	1.9
342.12289	5.2
342.16025	3.1
343.13028	1.7
344.14035	1.2
347.22217	6.3
349.23773	6.0
352.14484	1.7
353.12204	1.4
353.16043	7.5
354.12473	3.9
354.16208	2.0
355.13150	3.4
356.13931	5.4
356.17618	2.5
357.14655	4.3
358.15286	2.2
366.12189	1.8
366.16275	1.4
367.13358	1.6
368.14056	3.5
369.14706	1.8
370.15408	6.7
371.16031	1.6
382.11441	1.3
382.15683	3.1
383.16245	2.5
384.12897	1.0
384.17096	4.7
385.18234	1.2
396.13260	1.6
405.12674	1.2
405.17511	1.3
410.14911	1.9
412.16647	3.8
414.18213	1.5
416.19464	1.9
419.14737	2.9
421.20486	1.2
424.16281	1.1
426.18073	2.6
430.17685	1.6
431.18225	1.2
433.16754	3.0
434.17343	2.5
435.18103	2.2
438.14380	1.6
442.17523	3.9
444.19006	10.3
445.19196	1.5
447.18008	2.6
448.18967	1.4
449.19418	5.2
463.21939	1.6
470.16901	5.2
477.23535	1.5
502.19476	2.2
504.21326	2.1
519.23877	1.3
533.25580	2.0
537.24561	1.1
551.26416	16.6
579.25769	16.2
580.26178	1.6
589.24475	2.8
607.25366	14.3
608.26202	1.0
611.28516	76.7
612.28711	5.7
621.26697	2.2
621.41180	4.9
639.28009	100.0
639.42322	14.5
640.28149	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	640.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76471	0.2
55.25960	0.2
58.06590	1.3
63.02377	0.3
69.03429	0.8
69.17056	0.4
69.17462	0.8
70.06588	0.6
79.39131	0.2
81.03413	0.7
85.02892	1.2
85.05643	0.2
89.03901	3.8
91.05453	0.5
97.02873	0.6
106.04139	0.2
109.02852	0.3
112.07629	0.3
117.03361	12.9
117.78113	0.2
118.03687	0.2
119.04924	0.4
127.03893	0.5
134.03590	0.6
135.04411	1.1
137.05939	0.3
140.07039	0.3
145.02827	39.1
146.03156	0.5
147.04373	0.5
149.05962	5.2
157.91682	0.2
162.03084	0.5
163.03903	1.4
177.05444	100.0
178.05766	1.8
195.06462	0.9
207.06549	0.2
241.43330	0.2
253.08435	0.3
265.08615	0.2
282.69110	0.2
283.09576	0.4
299.11353	1.3
317.06461	0.8
321.09512	1.1
339.10703	5.0
340.10782	0.2
415.11893	0.3
419.64874	0.3
528.46851	0.3
574.76257	0.2
607.44501	0.2
640.23315	1.5
640.33179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63677	0.2
52.25526	0.2
53.03933	0.3
55.01867	0.3
57.03427	0.4
58.06586	1.1
60.79218	0.2
69.03410	1.4
72.87637	0.3
75.11291	0.3
81.03401	2.5
85.02894	1.7
86.01878	0.3
89.03894	2.4
91.05472	0.5
97.02871	0.7
99.96693	0.3
104.61108	0.3
107.04959	0.7
109.02859	1.2
117.03365	9.9
127.03908	0.7
134.03659	0.6
135.04404	1.2
137.05969	0.3
145.02824	36.8
146.03172	0.5
147.04393	0.9
149.05963	4.4
154.21906	0.3
163.03902	3.1
175.04047	0.3
177.05443	100.0
178.05791	1.5
194.11684	0.4
195.06506	1.1
207.06511	0.4
271.66199	0.3
283.09644	0.4
299.11136	0.4
317.06421	2.2
321.09668	4.7
339.10684	9.7
340.11081	0.3
345.61798	0.3
384.78778	0.3
501.15750	1.2
640.23853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.0
51.02371	1.3
53.03939	3.3
55.01855	0.4
58.06592	0.5
67.05484	0.8
69.18282	1.2
69.18684	1.0
70.24294	0.4
74.06058	1.3
75.88692	0.5
77.03920	3.4
79.05479	1.0
81.03403	1.0
81.07066	0.6
91.05472	1.1
93.07033	0.5
94.06593	0.4
95.04955	16.8
95.08633	0.4
96.08111	0.5
97.06541	0.6
105.03379	100.0
105.04399	7.0
105.06983	1.0
106.03730	1.1
108.08075	0.6
109.10153	0.4
117.07009	1.0
121.06505	0.7
123.29397	0.4
129.06984	1.1
132.08107	0.5
134.05930	0.4
141.07045	0.8
143.08577	0.5
144.08058	0.9
145.08881	0.7
146.09612	0.7
148.07507	1.0
153.54187	0.4
155.08578	0.9
157.08862	2.8
158.09628	9.4
159.10373	0.5
160.11252	1.0
165.06990	0.5
171.07912	0.5
171.10326	0.5
174.09160	2.2
178.07761	0.5
179.08574	0.8
181.10088	0.6
192.09369	1.9
193.10139	1.1
195.11824	0.5
203.08530	0.7
205.10251	0.8
206.10866	0.8
207.11584	2.6
209.09505	0.4
209.13326	1.0
210.12874	0.4
215.08653	0.4
216.09476	0.4
219.11658	1.0
221.09691	0.4
221.13318	0.9
222.12657	0.4
223.11209	0.5
231.11760	0.9
235.11130	0.5
246.12669	0.6
247.13412	0.6
249.12790	0.9
262.15948	1.3
264.13919	0.6
274.12436	0.4
276.95291	0.4
280.16904	1.3
290.15396	0.7
292.86304	0.5
308.16339	2.0
326.17307	0.7
336.15900	1.1
354.16971	1.3
368.18625	1.4
396.17987	1.6
454.91434	0.4
458.19815	1.3
472.20889	0.8
476.20346	1.0
500.20645	1.0
504.30066	0.6
518.21594	8.8
519.22192	0.5
520.26855	0.6
622.24274	7.3
640.25171	81.9
641.25348	5.9
666.11957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01860	2.4
55.05503	4.1
57.03427	1.6
57.07052	1.0
58.06573	1.4
59.04979	0.6
61.02900	2.6
65.01948	0.6
67.05505	3.1
68.99791	1.1
69.03420	12.0
69.07057	9.8
70.06584	10.7
70.33593	1.3
71.04971	2.6
73.02900	1.8
73.23043	0.6
79.05496	4.6
81.03412	6.7
81.07048	8.9
83.08604	6.3
84.11995	0.6
85.02895	29.8
85.06525	1.4
87.00821	13.1
87.04472	0.7
91.03919	0.7
91.05465	3.3
93.07029	11.2
95.04933	1.4
95.08593	27.0
97.02881	11.2
97.10168	3.5
99.04447	4.5
99.08079	7.7
101.02399	0.6
105.01138	0.8
105.01852	17.7
105.07028	4.4
107.04967	0.7
107.08581	30.5
109.02869	10.6
109.06539	0.8
109.10155	6.3
111.04401	0.6
111.08084	3.0
112.07597	8.8
113.09647	1.4
115.03886	0.8
117.01801	0.8
117.03350	1.0
119.04914	0.7
119.08553	3.4
121.10131	49.3
122.10332	0.6
123.04348	1.0
123.11678	3.0
125.09619	2.6
125.13293	0.6
127.03902	18.6
129.01823	1.7
131.08577	0.9
133.10130	2.5
135.11681	11.8
137.05956	0.6
137.13237	4.3
139.11142	0.7
140.07059	5.4
140.35210	0.6
145.02838	1.9
145.04929	8.1
145.10103	1.4
147.04422	1.8
147.11670	1.1
149.13219	3.9
157.10130	0.7
158.10884	0.8
159.02875	3.4
159.11655	0.8
164.06999	0.7
173.13161	0.9
175.14799	2.1
177.05434	2.4
177.16364	100.0
178.16692	1.8
187.14822	1.2
192.38297	0.6
195.17413	21.7
196.17834	0.8
199.14775	0.7
207.06497	1.5
208.06892	0.7
213.03973	1.8
213.18454	16.0
213.20517	0.8
219.17419	1.7
219.71567	0.5
227.14214	0.7
231.04956	6.9
238.18922	0.6
249.06053	4.2
284.11142	0.9
285.18466	1.3
303.19415	0.8
389.19690	1.2
407.20654	2.5
425.21524	1.7
443.22784	0.9
551.74200	0.6
640.23627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73767	0.6
51.89135	0.6
53.03963	0.8
55.01882	0.7
56.05034	1.2
58.06590	7.4
59.05008	0.8
60.23744	0.6
61.02936	0.6
65.62997	0.6
67.05506	2.0
69.03439	0.7
70.06598	0.7
70.29895	1.3
70.60199	0.6
71.05004	2.4
72.08163	2.0
75.04504	1.3
79.05511	2.3
81.03430	0.9
81.07065	1.0
83.05006	0.6
84.08147	0.6
84.48503	0.6
85.02914	0.9
86.09716	1.4
91.05475	4.8
93.07058	1.1
95.04985	2.0
96.08138	0.7
102.09200	2.3
103.05442	3.8
105.03389	6.2
105.07075	1.7
107.04996	0.9
108.08102	3.6
109.06467	0.6
117.07061	1.2
119.08553	0.6
121.06512	1.4
122.09696	2.5
123.04420	1.1
124.11258	0.8
128.06261	1.2
129.07045	2.4
131.04913	6.2
131.08598	1.7
133.06514	0.6
134.09648	0.7
135.08080	1.3
140.87141	0.6
141.06973	1.4
142.07736	0.6
143.08604	1.3
145.10144	0.6
146.09708	0.6
147.04419	0.8
147.08023	0.8
152.10751	0.8
154.12314	1.8
155.08623	2.1
157.10197	0.9
158.09674	1.4
162.12766	0.9
165.07056	1.2
167.08618	2.3
169.10159	1.3
171.08119	0.8
173.09691	0.8
178.07834	0.8
178.12268	1.2
179.08626	1.7
181.10197	1.0
183.08009	0.6
185.09676	1.1
190.07930	0.7
191.08586	1.0
193.10320	1.7
195.08186	0.7
200.14429	2.3
203.08640	0.9
204.09480	0.7
205.10210	1.3
207.11847	1.0
214.12114	0.6
219.11757	1.2
221.13373	1.0
223.11281	0.8
231.11835	1.0
237.12939	0.6
247.11163	1.0
251.14165	0.6
265.14966	0.7
326.21283	0.7
336.19763	1.3
337.20572	0.8
354.20605	0.9
368.22333	1.8
396.21698	3.6
400.25000	4.7
428.24319	5.7
429.25659	0.7
432.27759	4.4
442.26004	1.0
460.27002	13.0
461.27087	0.6
468.19080	1.0
492.29504	20.1
493.29919	1.1
608.32178	1.0
640.34918	100.0
641.35132	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	640.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60221	0.3
51.02369	0.4
53.03939	0.7
55.05482	0.4
56.05031	2.8
57.07064	3.6
58.06592	7.4
65.03936	0.4
67.05489	0.5
69.96961	0.5
71.05000	0.5
72.08147	1.3
77.03921	1.1
79.05493	1.4
80.05041	0.6
81.03403	0.6
81.07042	0.3
82.06542	0.4
84.08135	1.0
85.02884	0.3
85.06541	0.3
91.05453	3.5
93.07037	1.1
94.06571	0.7
95.04953	4.8
96.08131	0.9
98.09668	0.5
102.09206	0.8
105.03375	25.9
105.04517	1.4
105.07011	2.4
107.04924	3.4
108.08092	6.2
109.06551	0.4
109.08963	0.3
110.80151	0.3
111.04446	0.6
113.32232	0.3
115.05427	0.8
117.06981	1.8
119.04935	1.0
119.08592	0.5
121.06499	1.2
121.08879	1.2
122.09650	12.1
123.04436	0.9
124.11226	0.9
128.06230	1.1
129.06989	3.7
131.04889	0.4
131.08525	2.3
133.06470	0.4
134.09634	0.6
135.08049	0.4
137.05910	0.3
141.06961	2.0
142.07755	0.6
143.08533	2.4
145.06474	0.6
145.10069	0.5
146.09604	0.5
147.08037	0.6
147.10388	0.3
153.07028	0.9
154.07758	0.8
154.12292	1.1
155.08545	2.9
157.06529	0.7
157.08887	0.6
157.10158	1.0
158.09584	1.6
159.08078	0.4
159.10361	0.3
161.09537	0.3
165.06995	1.8
166.07753	0.7
167.08525	2.4
169.10150	1.8
170.09677	0.4
171.08037	0.5
172.11197	0.8
173.09645	0.4
174.12828	0.7
178.07768	0.9
179.08519	2.1
180.09308	0.5
181.06476	0.5
181.10149	0.7
183.08051	0.7
184.11200	0.6
185.09583	0.4
185.11981	0.4
186.12790	1.3
187.13562	0.7
191.08588	0.9
192.09268	0.7
193.10120	1.3
195.08054	0.5
195.11758	1.0
197.13400	0.3
198.12848	1.1
200.14351	0.8
202.07800	0.7
203.08575	1.0
204.09401	0.5
205.10117	1.1
206.11067	0.6
207.11720	1.0
208.08907	0.3
212.14253	0.6
215.08582	0.8
216.09380	0.7
217.10159	1.0
218.11182	0.6
219.08160	0.3
219.11649	0.4
221.09674	0.7
221.13222	0.8
223.11140	0.9
231.11682	1.0
233.13358	0.7
235.11147	0.5
237.12816	0.3
241.12221	0.4
242.11745	1.0
243.11850	0.5
244.13377	1.3
245.13304	0.7
249.12758	0.8
251.14391	0.5
261.12759	0.7
263.14337	0.5
278.15341	0.5
280.16824	0.5
281.15372	0.5
288.17514	0.5
292.16800	0.3
296.46277	0.3
306.18469	1.9
324.19452	0.5
366.20590	4.0
384.22110	0.3
398.23083	3.6
416.24463	0.5
428.22318	1.2
462.22568	0.4
488.24231	6.9
488.39774	0.4
489.24646	0.4
500.29553	0.4
502.25906	0.4
506.25122	0.7
518.21643	0.5
520.26807	7.7
521.27332	0.7
538.28027	5.1
587.17664	0.3
590.30878	0.7
622.24408	0.4
622.33490	4.3
623.33105	0.5
640.25647	5.9
640.34656	100.0
641.25824	0.8
641.35083	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	640.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04556	3.5
55.05510	24.1
55.05734	4.6
55.06566	3.8
57.03424	15.0
57.07069	31.6
67.05497	40.4
69.07061	22.5
69.22765	6.7
69.23185	13.9
71.08620	24.5
79.05475	22.9
81.07042	47.9
83.04935	6.7
83.08597	14.4
85.10171	11.8
91.05463	30.7
93.07027	27.8
95.04942	10.7
95.08573	33.4
98.23438	6.2
105.04424	5.0
105.06993	15.0
107.08569	14.7
109.06446	4.1
109.10135	15.6
117.06989	12.5
119.08546	8.6
121.10137	6.6
123.11755	4.3
131.08525	13.3
133.10124	12.0
135.11659	9.1
144.83400	3.8
145.10083	6.3
147.11647	8.5
149.13239	6.0
156.91656	3.8
159.11667	6.5
163.11116	6.8
163.91983	4.5
175.99429	4.0
195.13777	9.2
229.19336	5.1
239.23596	6.0
255.15910	13.5
257.18909	11.7
269.17416	30.6
275.19962	31.1
284.52570	3.6
291.19507	4.2
313.27289	97.0
349.23639	16.6
493.39117	21.1
507.40344	100.0
508.40411	5.8
547.43640	4.5
587.45984	12.5
605.46869	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	640.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66058	4.8
55.05505	30.4
57.03419	8.9
57.07059	23.4
67.05503	31.4
69.07056	16.2
69.60685	12.9
71.08630	16.3
79.05479	16.0
81.07022	32.8
83.04956	6.0
83.08606	32.5
85.13515	5.7
91.05452	12.9
93.07029	21.5
95.04961	45.9
95.08581	31.9
97.10152	11.0
105.07022	18.4
107.08539	14.5
109.10168	15.6
111.04443	6.7
119.08555	10.8
119.84099	5.3
121.10195	9.0
125.09573	9.1
131.08517	7.6
133.10138	12.4
145.10146	15.8
149.09596	14.3
153.12724	7.9
163.11159	23.4
186.21921	6.6
189.11150	13.6
193.98808	5.6
222.05380	5.9
223.13309	41.1
257.18912	8.9
275.20004	50.7
293.21176	29.8
313.27374	100.0
349.23691	23.1
367.24780	31.3
587.46533	12.6
605.47711	58.9
606.47894	8.0
630.35614	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	641.1702
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01862	0.5
57.03419	0.4
58.06586	0.7
61.02918	1.4
69.03426	3.2
69.44282	0.6
69.44677	0.6
70.06580	0.4
71.04974	0.4
73.02905	0.4
79.04961	0.2
81.03408	1.3
85.02888	7.3
87.04446	0.5
91.03950	0.3
92.02612	0.7
93.03386	0.8
97.02868	2.6
109.02853	0.8
121.02827	1.0
122.43231	0.3
126.03136	0.3
127.03904	1.5
137.02257	0.3
139.03896	0.8
140.07039	0.3
145.02814	0.3
145.04930	1.0
151.03873	0.9
153.01797	6.1
165.01857	0.5
177.05389	0.8
201.05415	0.6
217.04906	0.6
218.05624	0.7
228.04137	1.0
229.04919	3.0
245.04367	0.9
246.05196	1.5
257.04431	2.2
260.03119	0.3
261.07498	0.5
273.03839	1.5
274.04669	4.6
284.02908	0.3
285.03879	4.6
302.04129	11.5
303.04575	0.4
317.06482	100.0
318.06784	2.9
479.11728	5.6
610.40472	0.3
641.23297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.05504	6.7
57.03422	1.7
67.05491	7.0
69.03413	0.7
69.07065	2.4
69.76577	1.6
71.04978	1.3
71.08587	0.6
79.05482	7.6
81.07040	10.1
83.04986	1.5
83.08602	2.6
85.06492	0.6
89.06016	0.7
91.05459	5.9
93.07032	7.9
95.04954	2.3
95.08591	5.7
97.02854	0.9
97.06522	1.7
97.10158	1.6
99.08086	0.6
105.07015	5.7
106.13216	0.5
107.04951	2.0
107.08575	5.0
109.06519	2.2
109.10154	2.4
111.08025	0.8
115.45459	0.6
117.07011	3.1
119.08553	4.8
121.06470	1.0
121.10133	2.2
123.08070	1.1
125.09659	0.9
128.06236	0.7
129.07004	1.7
131.08556	4.1
133.08566	0.6
133.10121	3.8
135.08018	1.3
135.11700	1.4
145.10075	2.6
147.11662	2.7
149.09605	1.9
149.13319	0.9
155.08487	1.1
157.10149	1.5
159.11684	2.0
161.09554	0.7
161.13278	1.5
163.11147	1.0
169.10162	1.0
171.11729	0.9
173.13278	1.7
175.11279	0.6
177.12773	0.7
181.10178	0.7
183.11693	1.3
185.13220	1.2
189.11235	0.7
192.18137	0.6
197.13298	0.8
223.13155	1.0
227.12689	0.8
241.19357	0.7
257.19061	0.9
259.20538	1.4
261.22125	0.6
273.18524	1.2
275.20007	5.3
291.19452	3.5
315.19339	0.9
333.24182	1.4
349.19717	2.5
349.23773	2.3
365.23282	1.5
367.24579	0.6
529.34753	0.7
531.37958	0.8
623.43048	3.8
624.42999	0.8
641.40027	100.0
642.40021	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	641.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.12643	0.7
55.01865	2.7
55.05504	9.1
57.03419	0.9
57.07069	1.5
65.03936	1.7
67.05499	11.2
69.07071	5.8
71.04978	2.3
72.88406	0.6
78.01241	0.6
79.05489	10.9
81.03408	1.6
81.07049	21.2
83.04965	2.4
83.08609	4.8
85.06525	1.0
89.26354	0.6
91.05471	11.4
93.07035	10.1
95.04961	5.6
95.08599	7.8
97.06522	4.1
97.10152	1.9
99.08097	0.8
105.04482	0.6
105.07027	11.9
107.04968	3.7
107.08581	6.1
109.06512	5.7
109.10120	3.0
111.08076	1.3
115.05426	0.7
117.07010	3.7
119.08579	7.9
121.06501	1.8
121.10117	4.9
123.08080	1.3
125.09624	1.7
126.19122	0.7
129.06993	1.3
131.08557	6.3
133.06477	1.2
133.10120	5.6
135.08052	2.0
135.11696	2.5
137.09602	1.0
139.11195	0.7
141.07013	1.0
143.08517	1.4
145.10109	5.0
147.07980	0.8
147.11673	4.4
149.09630	2.6
149.13237	2.4
149.65088	0.6
155.08511	1.1
157.10115	1.2
159.08003	0.8
159.11674	2.5
161.09615	1.2
161.13242	1.8
163.11168	2.2
163.14825	0.8
165.12799	0.8
169.10115	1.2
171.11688	1.1
173.09590	0.8
173.13246	1.6
175.11217	1.0
179.14375	2.1
183.11742	1.0
185.13219	1.5
187.14832	0.9
201.12825	0.7
219.17476	1.0
223.13225	0.9
227.12643	1.2
229.19461	0.8
257.18982	2.6
259.20557	1.3
275.20047	17.2
276.20428	0.9
277.21423	0.9
282.24936	0.7
289.18054	0.8
291.19479	2.6
293.21042	2.6
300.01749	0.6
331.18787	1.5
333.20297	1.7
349.23715	5.0
365.23196	1.2
367.24301	1.0
410.35635	0.6
442.92789	0.7
513.31177	1.1
531.38251	0.8
547.26282	0.9
549.24768	1.2
550.25171	1.0
591.25958	1.1
605.27026	1.7
623.28638	4.4
623.43036	5.2
641.40063	100.0
642.39954	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	641.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
55.01865	5.8
55.05501	11.8
57.03430	4.3
57.07079	1.7
65.03915	1.8
67.05493	24.1
69.03432	1.7
69.07058	13.0
70.90907	0.3
71.04984	2.3
71.08598	0.7
77.03904	0.6
79.05481	23.3
81.03382	1.5
81.07044	31.2
83.04967	7.5
83.08191	0.3
83.08609	4.8
85.06494	1.4
91.05466	23.5
92.05764	0.3
93.07028	28.3
95.04955	9.7
95.08590	17.8
95.09148	0.4
97.06519	5.0
97.10168	2.1
99.04391	0.4
99.08048	0.7
102.94122	0.3
103.05420	0.9
105.04536	1.6
105.07014	27.4
106.07340	0.4
107.04234	0.7
107.04935	8.2
107.08574	17.8
109.06499	10.2
109.09420	0.5
109.10136	8.0
111.04375	0.4
111.08074	2.4
115.05402	1.1
116.06190	0.6
117.07001	8.6
119.04936	0.5
119.06042	0.5
119.08562	16.6
121.06480	11.6
121.10123	11.0
123.08042	6.1
123.11699	2.1
125.09586	1.4
127.68568	0.3
128.06194	0.9
129.06979	4.1
130.07782	0.7
131.08549	18.8
133.06476	3.6
133.10106	15.6
133.11131	0.8
135.08028	5.4
135.11664	5.7
137.05942	0.8
137.09621	2.2
139.07524	0.4
139.11125	0.7
141.06981	1.6
142.07768	0.5
143.08513	4.1
144.09227	0.6
145.06485	2.2
145.10098	14.5
147.08038	3.2
147.11661	11.6
148.08833	0.4
149.09581	7.0
149.13219	4.0
151.07605	0.5
151.11154	2.8
153.09091	0.8
155.08563	2.8
156.09315	0.6
157.10100	4.1
159.08041	2.8
159.11665	8.7
161.09595	4.0
161.13213	3.6
163.11166	5.1
163.14812	0.6
165.12709	1.2
167.10681	0.4
169.10129	2.0
171.11635	3.4
172.12439	0.3
173.09610	2.2
173.13199	4.8
175.11189	3.0
175.14815	1.2
177.12714	2.1
179.10664	0.5
179.14323	0.8
181.10172	0.4
183.10286	0.4
183.11671	3.5
185.13240	1.3
187.11107	2.1
187.14754	1.8
189.11188	0.4
189.12721	1.1
189.16252	0.4
191.14293	2.3
193.12125	0.6
195.11623	0.5
197.02512	0.4
197.13202	2.1
199.14749	1.6
201.12755	3.2
201.16310	0.6
205.15816	0.6
205.19502	1.0
207.13766	3.1
211.14822	0.8
213.16333	0.9
215.14284	1.0
215.17899	2.0
217.15767	0.7
219.13792	2.4
219.17435	0.6
221.15219	0.6
227.12619	0.7
229.15796	0.4
229.19458	2.3
231.17377	0.7
233.15364	0.7
233.18977	1.5
239.17905	2.8
247.20534	4.3
257.18954	12.7
258.19339	0.5
259.20587	0.9
273.18484	0.8
275.20013	100.0
276.20428	3.1
277.21494	0.4
285.14465	0.4
291.19437	1.5
293.21054	22.0
294.21240	0.4
302.15240	0.3
313.21542	0.5
331.22662	0.6
349.23676	46.7
350.24020	1.9
365.23724	0.4
367.24722	9.6
368.25449	0.4
386.74176	0.3
455.12210	0.4
549.39166	0.4
581.27570	0.5
593.32208	0.4
599.86023	0.4
605.42236	0.6
623.42950	19.0
624.42969	1.4
641.43396	8.5
642.44025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03935	2.6
56.05037	0.5
58.06590	1.1
70.06570	0.7
72.04508	0.4
72.08184	0.4
74.06071	1.1
77.03917	3.2
79.05463	0.8
81.07011	0.5
86.06049	0.5
91.05479	2.3
93.07024	1.1
94.06541	1.2
95.04959	11.3
96.08134	0.7
98.06013	0.5
104.42083	0.4
105.03380	66.5
105.04403	5.1
105.07018	2.6
106.03712	1.3
107.04939	0.4
108.08119	1.5
110.06033	1.0
112.07603	0.6
117.07013	1.2
119.04920	0.6
119.08587	1.3
121.06477	1.5
122.09682	0.5
124.07576	0.8
128.06195	1.0
129.07019	1.8
131.07381	0.5
131.08516	1.1
132.07993	0.7
134.09634	0.8
135.07964	0.5
136.07594	1.3
141.07010	1.2
143.08514	2.0
144.08046	0.5
145.06494	0.7
146.09630	1.9
147.08008	0.6
148.07553	0.8
150.09123	0.5
155.08537	2.0
157.08885	3.1
157.10005	0.7
158.09645	11.9
159.08101	1.1
159.10281	0.8
160.07553	0.5
160.11224	1.6
162.09074	0.7
165.06966	1.1
167.08562	1.7
169.10115	1.3
171.08002	0.8
172.11269	0.5
174.09160	2.7
176.10754	0.7
178.07819	1.2
179.08556	1.6
180.09201	0.6
181.10112	2.5
182.09644	0.8
183.08051	0.7
184.11174	0.6
188.10638	0.8
190.07718	0.5
191.08504	0.5
192.09294	1.6
193.10118	3.2
194.10931	0.5
195.08054	0.8
195.11682	1.0
196.11247	0.8
197.09624	0.4
198.09169	0.4
200.10574	0.5
202.07825	0.8
203.08548	1.2
204.09413	0.7
205.10104	1.5
206.10957	0.5
207.11708	2.0
208.11256	0.8
209.09639	0.9
209.13358	1.0
210.12688	0.6
215.08318	0.6
216.09360	0.8
217.10223	0.7
218.10945	1.1
219.11670	1.0
221.09657	0.5
221.13229	1.2
223.11150	0.9
226.12277	0.6
230.10841	0.6
231.11624	1.0
233.09613	0.6
233.13280	2.1
234.12766	0.5
235.11256	0.9
235.14815	0.5
237.12909	0.6
243.11920	0.6
247.11101	0.6
248.14342	1.1
249.12730	0.8
251.14233	0.7
252.13742	0.5
259.13550	0.8
261.12796	0.8
262.15952	1.0
264.17419	0.9
266.11804	0.4
266.15240	0.7
274.15894	0.7
276.13760	0.7
279.14050	0.6
280.17117	0.6
282.14609	0.5
282.18491	0.6
290.15469	0.7
292.16971	2.4
296.27899	0.5
302.15448	0.6
308.16364	1.4
310.17816	2.6
320.16321	2.6
328.18970	0.5
338.17429	4.1
339.18011	0.6
352.18723	0.7
356.18652	1.4
380.18457	1.6
380.69455	0.5
398.19699	4.3
414.19202	0.4
460.21094	0.8
478.21899	0.7
488.26312	1.2
502.22223	3.3
520.22943	10.0
520.29303	1.1
521.23505	0.8
624.25562	1.0
642.26636	100.0
643.27057	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	642.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
58.06583	1.8
59.45639	0.4
67.05491	0.8
68.74632	0.4
69.03426	0.7
69.08456	2.8
70.06581	1.4
71.04970	0.9
75.04469	2.1
79.05486	1.3
81.03384	0.5
81.07047	1.0
81.83033	0.5
82.06563	0.7
84.08123	0.8
85.02884	1.1
87.04435	0.6
88.07601	0.8
91.05469	1.4
93.07024	0.7
93.88515	0.4
94.06558	1.1
95.04954	0.7
96.08119	0.9
97.02886	0.6
98.06055	0.9
100.07595	0.6
103.05456	0.6
105.07038	1.5
107.04957	1.0
108.08098	1.5
108.92671	0.4
109.06498	2.0
110.06086	0.5
111.08077	2.5
115.05486	0.5
119.08474	0.4
120.08118	0.9
121.06493	2.1
122.09670	0.5
123.04422	1.1
124.07573	0.5
126.09150	0.7
128.06212	0.4
129.06993	2.9
131.08556	1.7
133.02847	0.6
133.91920	0.4
134.09662	1.2
135.04414	1.0
135.08011	0.7
136.07596	0.4
137.06000	2.0
138.09122	1.5
139.03903	0.4
141.06999	1.0
143.08531	1.0
144.08058	1.1
144.72188	0.4
145.06471	0.9
146.09624	1.0
151.03802	0.6
153.05467	0.6
153.06989	0.8
155.08519	0.8
157.06612	0.5
158.09659	1.5
159.08058	2.5
161.06041	0.5
161.09621	0.6
163.03912	1.9
164.10684	0.5
165.06992	1.1
165.09140	0.7
167.08522	1.0
169.06464	0.4
170.09630	0.9
171.08055	0.8
172.11258	2.1
173.09637	0.4
176.10706	0.8
177.05504	0.8
178.07655	0.9
179.08574	1.4
181.08727	0.5
181.10144	1.1
182.07278	0.5
182.09644	0.4
183.08026	1.0
184.11241	1.3
185.09702	0.6
185.11693	0.5
190.07785	1.0
191.08591	1.8
192.09349	0.7
193.10138	1.1
195.08031	0.9
197.09593	0.6
197.11998	0.9
202.07745	1.0
202.12242	8.1
203.08617	1.0
204.09418	0.4
204.13844	1.7
205.10181	2.1
207.07993	1.0
207.11617	0.5
209.09624	0.6
211.11186	0.5
214.12300	0.9
215.08615	0.9
217.10129	1.0
218.07285	0.4
219.08025	0.9
221.09627	0.5
223.11128	0.8
233.09619	1.4
235.11157	0.8
237.12767	0.5
245.09505	0.6
247.15619	2.5
251.10672	1.2
253.08583	0.5
256.13480	0.5
261.09222	0.8
263.10724	0.6
265.12183	0.7
282.15057	0.5
293.11697	0.7
310.14301	0.5
312.15991	0.5
322.14438	1.0
325.14282	0.9
326.17407	0.6
328.15314	0.5
340.15591	1.2
344.18692	2.0
345.84494	0.5
354.17105	2.8
358.20102	2.5
360.18137	1.8
372.17978	2.9
376.21228	2.1
386.19461	2.0
390.22534	0.7
392.20758	1.5
404.20493	2.7
408.23764	7.8
418.22134	4.3
436.23151	5.1
468.25873	33.9
469.26282	1.8
598.28625	2.3
642.27435	100.0
643.27753	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
53.12852	0.3
54.23658	0.2
55.01873	0.4
55.05497	0.3
56.05033	0.3
56.51645	0.3
57.03424	0.8
58.06591	34.5
59.05022	0.4
61.02921	1.6
67.05514	0.4
69.03424	4.7
70.06578	0.4
71.00494	0.3
71.04984	1.0
72.08164	0.6
73.02916	1.0
73.21024	0.3
75.04478	0.3
79.05499	1.1
81.03397	1.4
84.08138	0.6
85.02887	3.9
86.06067	0.6
87.04455	2.0
91.05475	1.8
91.29617	0.3
93.07047	0.7
95.04983	0.5
97.02885	2.0
98.09704	1.0
99.04431	0.7
103.05462	0.8
104.07086	2.0
105.07027	1.1
107.04958	0.7
108.08111	0.7
109.02866	0.8
109.06512	0.6
110.09705	0.3
115.05460	0.6
117.07032	1.0
118.77901	0.3
118.78720	0.3
119.04964	0.3
119.08563	0.5
119.68482	0.3
121.06530	0.4
121.08855	0.3
122.09707	0.5
124.11189	0.6
127.03905	0.7
128.06212	0.4
128.10773	0.3
129.06961	1.5
131.08517	1.3
135.08072	0.9
137.05959	2.0
138.09149	0.4
141.07002	1.3
143.08583	1.0
145.06522	0.6
146.09650	0.3
147.08061	1.1
153.07019	0.4
154.12320	0.7
155.08514	1.4
157.06589	0.3
157.10164	0.9
159.08049	1.2
161.09578	0.7
164.10677	0.4
165.07059	1.0
166.07742	0.4
167.08534	1.2
169.06502	0.3
169.10068	0.7
171.08075	0.4
173.09662	0.9
174.12813	0.4
177.05505	0.3
178.07809	0.8
179.08589	1.3
180.09108	0.4
181.10138	0.7
183.08078	0.6
185.09688	0.4
187.11105	0.4
189.09129	0.3
191.08585	0.8
192.09332	0.6
193.10100	1.5
195.08186	0.6
195.11778	0.4
197.09663	0.4
199.11201	0.3
200.14407	0.3
203.08549	0.9
204.09305	0.4
205.10176	1.0
206.04475	0.3
206.10780	0.5
207.11714	1.3
207.34535	0.3
215.08690	0.4
215.10616	0.7
216.09325	0.5
217.10173	0.5
218.10893	0.4
219.11723	0.8
221.13322	1.1
223.07634	0.3
223.11235	1.0
231.11726	0.9
233.13251	1.1
235.11237	0.6
236.16556	0.4
239.14412	0.6
243.11566	0.3
249.12721	3.1
251.14246	0.5
260.84686	0.3
261.12802	1.1
263.14377	0.5
267.13852	1.4
279.13803	0.5
281.15363	0.9
293.08307	0.5
293.15411	0.5
325.18134	0.5
329.10220	1.0
338.20740	0.3
356.22314	0.4
370.23825	0.7
398.23398	0.9
430.25842	2.4
448.26666	1.4
462.28732	1.1
480.29535	1.2
564.97278	0.3
610.32111	0.8
642.34741	100.0
643.35077	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	643.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
53.10172	0.3
56.05024	1.2
56.05673	0.4
58.06591	100.0
59.06935	0.8
65.03934	1.6
72.08169	1.0
81.03415	0.5
81.07044	0.5
91.05473	0.6
93.03392	0.6
93.07018	0.6
94.02891	0.5
95.04941	1.7
96.05288	0.5
105.03377	11.2
105.04474	1.0
105.07011	0.5
106.03734	1.7
111.04422	0.6
121.02848	25.8
122.02372	0.5
124.85075	0.4
127.03934	0.4
136.03902	0.6
140.03404	0.7
150.01852	1.9
152.03342	0.7
154.04916	0.9
155.08568	0.4
158.09663	1.6
159.10063	0.7
165.06940	0.5
167.08504	0.5
174.09103	0.5
178.07730	0.9
179.08473	1.0
182.04468	4.3
191.08507	1.0
192.09332	0.6
193.06482	2.0
194.07172	0.6
195.04414	0.6
195.08009	0.8
197.09547	0.5
203.08606	0.5
205.06491	1.3
205.10098	0.5
207.08022	2.8
209.09517	0.7
219.08090	0.6
221.05984	2.5
222.06674	2.3
223.07518	2.3
228.82893	0.5
235.07487	12.0
236.08160	1.0
237.05426	0.9
237.09103	1.3
238.06204	14.5
239.06715	0.9
249.05399	1.9
251.07004	3.4
252.07719	2.4
253.08531	4.6
263.06973	10.3
263.09708	0.5
264.07541	1.0
265.08548	1.6
266.05823	2.7
266.08969	0.5
267.10046	1.5
277.08487	0.6
279.03662	0.8
279.06506	11.4
279.09595	0.6
280.07257	1.0
281.08038	38.7
282.08661	2.2
283.09637	0.7
295.09555	5.7
296.06741	5.6
296.10330	38.2
297.07724	0.4
297.10959	2.0
298.11734	0.5
299.12839	0.5
311.05685	0.7
311.09113	11.9
330.11206	0.5
371.07819	0.8
373.78110	0.5
386.10104	1.6
403.10486	1.2
414.09689	3.0
416.12183	1.5
417.12692	0.5
418.12521	0.7
438.65121	0.5
446.12305	10.5
448.13763	1.3
461.14203	0.7
463.12415	0.7
478.14862	4.5
480.16327	0.7
520.22778	0.7
521.23279	1.3
523.20685	17.6
524.20874	1.0
566.14294	5.3
568.15576	0.5
598.17035	6.5
642.26263	1.6
643.22388	80.2
644.22894	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	643.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88845	0.9
53.03946	1.8
55.01859	2.6
55.05502	1.7
56.45705	1.0
58.06599	4.9
59.51566	0.9
64.06306	1.0
65.03931	5.6
65.74040	0.9
67.05491	4.8
69.03434	1.6
69.07053	1.5
71.01332	1.3
75.04472	1.8
75.23939	0.9
76.13686	0.9
78.04713	1.5
79.05489	6.8
81.03402	6.6
81.07056	3.5
82.04189	1.5
85.02904	5.0
91.05473	7.6
93.07035	2.8
93.61996	0.9
95.04952	7.3
95.08580	1.5
97.02827	1.4
97.06507	2.4
101.05999	1.9
103.05450	16.7
103.95294	0.9
105.03389	11.4
105.04510	1.4
105.07012	8.3
107.04948	8.6
107.08598	1.0
108.08128	1.0
109.06501	3.8
109.10170	1.7
110.03637	1.9
110.09676	1.7
111.04429	1.8
111.08060	3.7
115.05405	5.3
116.06229	1.1
117.07041	4.6
118.01521	1.1
118.04129	3.2
119.04942	3.4
119.08573	2.8
121.02837	1.6
121.06491	3.5
122.03656	1.3
123.04443	5.4
124.05235	1.8
125.05988	3.3
127.03914	1.7
128.06204	1.4
129.07004	1.8
130.04091	1.6
131.04926	16.0
131.08542	2.7
133.02826	4.0
133.06468	8.8
135.04427	1.2
135.08025	2.9
137.05965	7.8
138.03035	1.4
140.04695	1.0
140.06985	1.0
141.06947	1.6
141.09044	1.0
143.04953	1.1
144.05659	1.8
145.06464	6.5
147.04448	3.1
147.08047	2.3
148.05179	9.8
149.05949	2.1
151.03931	2.9
151.07553	2.6
152.04724	1.9
153.05447	7.5
155.05956	1.2
155.07051	2.2
157.06448	2.1
159.08046	2.6
161.05978	9.9
161.09602	1.4
163.07524	20.5
165.05441	7.9
165.09134	1.4
165.52013	1.1
166.06270	1.2
167.07024	60.1
168.07440	1.8
171.06528	6.0
172.03839	1.1
173.05983	8.0
175.07515	3.9
176.04640	2.6
177.05463	4.0
179.07039	2.2
179.08519	1.4
180.07788	2.4
181.04935	100.0
182.05321	1.1
187.07545	4.5
189.05484	1.1
190.06183	1.8
191.07007	80.6
192.07387	2.3
193.04944	4.2
193.08647	2.3
195.06535	2.6
197.06047	1.0
197.08055	1.7
201.05408	1.5
205.08487	5.3
207.06525	4.8
207.10103	2.2
208.07249	4.9
209.07811	4.5
217.08627	3.4
219.10091	6.7
221.08058	1.8
225.07526	14.2
226.08368	3.2
233.08020	7.2
235.07532	2.4
235.09651	7.3
245.08086	1.4
263.09076	15.4
267.10190	4.0
277.08499	1.2
281.08234	1.8
293.08170	1.1
293.68704	1.0
296.10318	1.2
297.11237	1.5
307.09494	1.4
322.08374	1.3
323.09039	1.1
325.10840	4.6
331.11710	1.4
331.22403	1.1
337.10971	1.2
337.31219	1.1
339.12146	1.6
355.11490	1.1
357.13300	4.8
367.11639	2.8
381.13187	1.9
385.12686	9.8
387.14249	2.2
395.24026	1.4
399.14771	2.5
417.15421	12.2
446.16946	1.2
458.16818	1.5
552.25934	1.4
584.28119	1.9
611.24420	2.6
642.45953	3.9
643.32239	8.7
643.46204	2.4
644.30481	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	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15071	0.4
55.01822	1.0
55.05454	2.1
57.03412	0.4
65.03897	0.6
65.24662	0.4
67.05492	4.7
69.07056	2.2
71.04932	0.8
79.05480	4.6
80.05782	0.6
81.03349	1.3
81.07040	9.1
82.07325	1.0
83.04927	0.9
83.08556	1.4
91.05466	3.6
92.73706	0.4
93.07039	4.6
95.04949	2.1
95.08598	3.7
96.05258	0.4
97.06454	0.9
97.10119	0.8
97.12955	0.3
98.23480	1.0
105.07011	3.5
107.04912	1.0
107.08569	2.6
109.06487	2.2
109.10091	1.4
110.06808	0.5
117.06943	1.3
119.08575	2.8
120.08800	0.4
121.06466	0.7
121.10051	1.6
123.11616	0.5
125.09586	0.8
129.06912	0.4
131.08463	1.6
133.10094	2.2
135.11632	0.9
137.09534	0.5
145.10023	1.7
146.10399	0.5
147.11684	2.1
149.09618	0.9
149.13208	0.9
151.11090	0.7
157.10005	0.7
159.11626	1.3
161.13184	0.9
163.11082	0.6
165.12689	0.4
171.11566	0.8
173.13213	0.9
175.11061	0.4
179.14240	0.5
193.12065	0.6
211.14629	0.5
227.12749	0.7
247.20631	0.5
257.18866	0.8
259.20361	0.6
275.19989	3.4
276.20377	1.5
277.21634	0.6
291.19473	0.6
293.20969	0.8
294.21432	0.4
333.24390	0.7
349.23785	1.3
350.23941	0.9
396.12143	0.7
397.13120	2.4
398.13611	1.2
410.13669	2.9
411.14484	5.8
412.15167	3.3
413.15936	2.6
422.13800	0.5
423.14575	1.3
424.10895	1.2
424.16013	2.8
425.16193	10.8
426.16882	8.9
427.17392	1.6
428.18427	1.1
437.16122	1.1
438.12198	3.1
439.13461	11.9
440.13638	1.4
440.19278	4.0
441.19220	31.7
442.19568	3.3
452.14532	4.1
453.15152	15.0
454.15771	4.7
457.14740	0.5
463.14301	0.7
465.15668	0.8
466.16690	0.6
467.17136	25.0
468.17740	13.8
469.18716	13.0
470.18719	1.2
471.16641	0.8
474.66385	0.4
480.13907	0.6
481.14700	13.7
482.15250	4.3
483.15723	0.5
485.18292	1.4
494.18665	0.5
495.15854	3.4
496.17050	13.5
497.17758	3.1
498.19360	0.9
499.20105	0.6
509.18039	2.0
510.19012	0.6
512.20227	1.2
514.22137	1.3
523.19745	1.4
527.23523	1.9
540.19470	0.7
542.21515	0.9
551.40527	0.4
555.22357	24.4
556.22827	2.7
568.19159	0.6
583.21790	100.0
584.22028	11.5
586.20483	0.6
587.24976	1.2
607.43896	0.7
611.21185	1.4
614.23645	0.8
615.24316	10.3
616.24719	0.8
624.43829	0.5
625.44202	1.2
643.23804	56.6
643.46350	1.1
644.24091	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	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
54.50148	1.4
55.01867	9.5
55.05508	22.4
57.03440	8.0
57.07051	3.7
59.05003	1.8
61.59096	1.5
65.03925	3.7
67.05154	3.1
67.05498	40.6
69.03406	2.1
69.07064	14.2
70.05063	4.1
71.04991	2.9
71.08632	2.4
74.11484	1.5
79.05480	51.1
81.03395	4.2
81.07047	100.0
83.04976	9.3
83.08596	10.6
85.02899	2.5
85.06506	2.6
91.05472	33.0
93.07033	34.0
95.04949	15.1
95.08595	28.4
97.06516	6.3
97.10169	9.0
102.97668	1.8
105.04500	3.8
105.07014	29.1
107.04938	5.0
107.08574	20.6
109.06506	31.8
109.10137	13.5
111.04430	7.6
111.08083	3.7
115.05395	2.3
117.06993	14.6
119.08559	27.7
121.06488	6.7
121.10117	16.4
123.08059	5.1
123.11681	4.1
125.09605	6.2
129.06984	7.0
131.08562	15.2
133.06451	2.2
133.10110	13.6
135.08017	6.0
135.11688	9.7
137.09621	3.3
143.08543	5.2
145.06468	1.6
145.10117	14.7
147.07979	6.9
147.11671	9.1
149.09639	3.8
149.13248	3.1
152.46886	1.6
153.12692	2.7
157.10098	4.9
159.11670	9.0
161.09593	6.5
161.13295	5.9
163.11157	6.7
165.09055	3.0
165.12766	2.3
167.08563	1.8
171.11627	3.0
173.11736	1.6
173.13217	3.7
173.89149	1.5
175.11177	1.8
175.14801	2.5
179.14304	1.8
182.33957	1.6
183.11678	2.9
189.11145	3.8
189.16341	2.4
191.10635	2.3
193.12247	1.6
209.11580	1.9
221.65021	1.6
223.13239	3.2
227.12755	4.9
227.17896	2.1
241.19354	4.1
249.14880	3.4
255.17467	2.8
259.20566	6.8
261.22095	3.6
273.18411	18.2
275.19995	9.8
277.21387	2.3
291.19495	64.1
292.19742	3.8
293.21130	3.9
309.20618	2.7
315.22922	2.4
333.24219	6.9
335.25745	37.2
347.22147	4.7
349.23535	2.4
365.23230	7.9
367.24707	4.5
515.37445	1.9
571.35028	2.1
607.43390	2.9
625.44452	27.0
626.43799	2.7
643.45166	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	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01865	12.3
55.05504	39.4
57.03420	7.3
57.07061	14.5
57.46133	2.0
59.04990	3.2
65.03902	5.0
67.05495	82.2
69.07056	30.8
71.04971	6.1
71.08630	13.6
77.03922	2.2
79.05480	70.8
80.05797	3.2
81.03391	8.1
81.07043	100.0
81.08396	2.2
82.07390	2.4
83.04970	13.7
83.08597	25.9
85.02875	5.3
85.06510	4.7
85.10149	5.5
87.04459	4.4
89.06010	29.4
91.05468	48.4
92.05798	3.0
93.07026	56.8
95.04942	24.8
95.08593	44.7
96.36842	2.1
97.06506	15.8
97.10149	16.4
99.04401	3.0
99.08067	4.5
103.07542	2.9
105.04519	4.3
105.07013	43.6
107.04926	9.4
107.08576	34.3
109.06496	25.2
109.10141	26.2
111.04411	8.9
111.08085	6.4
113.05991	3.3
115.05392	2.4
116.25228	2.7
117.07022	17.2
119.08550	30.9
120.08907	2.6
121.06481	9.1
121.10128	28.0
123.08057	13.6
123.11696	7.1
125.09631	15.5
128.74335	2.3
129.06975	11.4
131.08536	31.0
133.06447	3.9
133.08594	13.2
133.10115	16.6
135.08070	11.4
135.11687	14.0
135.12579	3.2
137.09604	5.4
141.07018	2.9
143.08537	8.1
145.10078	24.5
147.07990	8.2
147.11668	11.0
149.09569	9.7
149.13222	8.2
151.11176	4.4
153.09102	3.6
153.12775	4.8
155.08507	8.3
157.10143	11.4
159.08017	5.6
159.11642	13.4
161.09552	4.6
161.13246	7.9
163.11139	16.0
163.14798	6.4
165.09221	2.8
165.12717	5.0
167.08485	2.8
169.10094	7.5
171.11630	12.0
173.09576	3.9
173.11858	3.2
173.13223	10.5
175.11131	3.7
175.14828	2.8
177.11229	4.9
177.12836	3.2
179.14252	2.7
181.10139	2.8
181.12234	5.8
183.11688	4.2
185.13193	7.3
187.14786	4.9
189.11205	11.7
189.12715	3.6
191.10611	5.4
193.10095	2.2
193.12224	5.2
195.11629	3.5
197.13261	5.3
199.14854	5.4
203.17903	2.4
209.11624	3.4
209.13390	3.2
211.14783	3.4
213.16411	2.3
223.13176	5.2
225.16235	2.9
227.12733	8.3
229.14287	6.9
233.22704	2.3
243.21017	8.9
257.18863	3.6
259.20465	3.2
261.22095	9.2
273.18396	17.8
275.19885	9.6
277.21503	8.0
287.23584	3.5
291.19510	55.6
293.21085	3.5
317.24765	4.5
335.25665	23.7
347.22031	5.3
349.23734	3.9
351.25406	2.7
365.23087	10.8
379.29993	2.9
397.31137	4.4
501.35266	2.7
515.37805	5.3
527.37415	3.5
533.39752	5.0
543.36755	2.9
551.40405	5.2
607.42987	5.8
625.44470	42.5
626.45056	2.9
643.46161	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03943	3.9
55.01863	13.3
55.05504	31.6
55.08098	0.9
57.03429	8.5
57.07074	2.7
60.53538	0.8
65.03937	4.7
67.05495	62.0
69.03431	3.6
69.07059	17.7
71.04971	3.8
71.08620	1.8
74.16875	0.7
77.03938	1.3
79.05482	64.9
81.03415	8.9
81.07046	100.0
82.07375	2.0
83.04966	18.5
83.05429	1.4
83.08607	13.8
85.02902	4.7
85.06535	3.0
87.61192	0.7
89.18536	0.8
91.05466	40.1
92.05807	0.9
93.07033	56.5
94.07355	1.0
95.04958	23.8
95.08595	37.6
97.02946	0.8
97.06518	8.0
97.07033	0.8
97.10158	17.8
99.04452	2.9
99.08090	2.8
105.04530	2.2
105.07014	26.9
107.04935	5.8
107.08578	30.1
108.08947	1.1
109.06499	9.5
109.10141	17.9
111.04426	16.3
111.05155	1.1
111.08067	8.1
113.09668	1.1
113.80857	0.8
115.05452	0.9
116.06224	1.0
117.06993	12.6
119.04938	0.9
119.06085	0.9
119.08566	25.1
121.06509	8.1
121.10135	20.8
123.04435	1.0
123.08051	24.2
123.11700	3.2
125.06013	1.3
125.09608	14.6
128.06200	1.5
129.07002	5.7
130.07758	1.6
131.08543	16.1
133.06496	2.3
133.10115	12.8
135.08031	5.6
135.11668	17.0
137.09583	5.0
137.13249	0.8
139.11244	1.0
143.08562	5.9
143.10670	1.0
145.06554	1.1
145.10107	17.0
145.11188	1.3
147.08015	7.5
147.11667	10.0
149.09595	5.4
149.13232	4.6
151.11191	1.0
153.09120	3.6
153.12721	6.3
155.08560	1.9
157.10083	4.4
159.08014	1.6
159.11629	5.7
161.09605	3.0
161.13229	4.2
163.11156	14.6
163.14847	1.2
165.09074	4.8
165.12726	1.5
167.10655	1.0
169.10101	1.8
171.10106	2.1
171.11714	2.8
173.09630	2.8
173.13219	4.8
175.11197	3.6
175.14844	2.0
177.12773	1.7
179.14308	1.1
181.12195	9.5
183.11589	1.9
185.13269	2.6
187.11151	0.9
187.14789	1.4
189.11211	19.3
189.12685	1.1
191.10637	8.3
193.12273	2.9
195.11636	1.2
197.13254	1.3
199.11174	0.9
199.14833	1.0
205.12242	1.0
209.11697	2.2
217.15808	0.9
223.13174	5.8
227.12721	13.8
227.17917	1.7
228.93668	1.0
232.87386	0.8
237.16574	1.4
241.19493	0.9
243.21043	1.4
245.19008	2.6
249.14909	1.5
251.34764	0.8
255.17368	2.6
259.20511	1.3
261.22150	5.9
263.19983	1.2
273.18460	21.4
275.20041	2.8
277.21613	1.3
283.15436	3.0
291.19501	58.6
292.19763	2.5
293.21072	2.1
309.20575	3.6
317.24692	1.7
333.24124	1.2
335.25772	29.9
336.26154	1.6
343.29764	1.0
347.22391	3.7
365.23166	15.5
419.32013	0.9
435.56711	0.9
440.30328	0.8
459.43359	0.9
469.58725	1.0
515.38470	1.5
569.42010	0.9
607.43524	1.1
625.44562	14.8
626.44958	0.9
643.45837	18.6
644.45068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.9
51.88251	0.6
53.03940	4.7
55.01866	11.0
55.05504	33.6
57.03432	7.6
57.07062	2.0
59.04973	1.6
65.03931	4.4
67.05495	66.2
67.34188	0.7
69.03430	4.0
69.07056	21.8
71.04977	4.5
71.08616	1.8
73.02926	0.7
77.03912	1.3
79.05482	66.2
80.90509	0.8
81.03408	7.7
81.07046	100.0
82.07384	1.8
82.92474	0.7
83.04970	18.1
83.08610	17.4
85.02890	4.5
85.06539	2.6
87.04452	1.0
91.05466	39.9
92.19419	0.7
93.07030	56.3
95.04950	22.9
95.08591	38.3
97.05933	1.1
97.06510	8.4
97.10155	17.7
98.23479	2.3
99.04443	4.3
99.08088	2.3
105.04517	4.3
105.07015	29.2
107.04945	7.2
107.08575	31.2
109.06509	9.5
109.10138	20.2
111.04427	19.1
111.05159	1.3
111.08062	8.8
113.05967	0.7
113.09645	0.9
115.05450	2.0
116.93893	0.7
117.07002	11.7
119.06055	0.8
119.08562	26.7
121.06488	7.3
121.10118	23.2
121.10970	1.2
123.04443	1.3
123.07140	1.2
123.08050	24.5
123.11642	3.7
125.05975	1.6
125.09613	13.9
128.06233	1.4
129.07011	6.6
130.07788	1.0
131.08549	18.0
133.06465	2.9
133.10115	11.9
135.08044	5.9
135.11670	17.7
136.62473	0.8
137.09578	4.0
137.13220	1.1
139.11163	1.6
141.07024	1.4
142.07726	0.8
143.08528	5.3
143.10690	0.8
145.06483	1.4
145.10098	17.4
145.11195	1.2
147.08025	5.4
147.11647	7.9
149.09615	5.4
149.13278	5.5
151.11189	1.8
153.09106	3.4
153.12704	8.4
155.08559	2.0
157.10136	5.4
159.01923	0.7
159.08046	0.9
159.11670	8.0
161.09616	3.0
161.13223	4.1
163.09763	1.0
163.11145	18.0
163.12433	1.4
163.14713	1.4
165.09068	4.2
165.12756	1.8
169.10155	2.6
171.10263	1.1
171.11578	3.5
173.09618	3.5
173.13248	5.3
175.11191	2.5
175.14836	2.5
177.09105	0.9
177.12813	1.7
179.10648	1.6
181.12207	11.8
183.11653	0.9
185.13361	1.3
187.11281	1.1
187.14815	2.3
189.11185	20.2
191.10616	9.1
193.12178	3.6
195.13730	1.0
197.13280	1.0
199.14830	1.2
205.12263	1.4
209.11722	1.5
211.14961	1.1
213.16380	1.0
223.13208	6.1
223.14914	0.7
225.72296	0.7
227.12720	14.6
227.14696	1.1
227.17838	1.5
228.13277	1.1
231.17636	1.0
243.21140	2.2
245.19073	2.5
249.14941	1.3
255.17517	3.1
257.19083	0.8
259.20657	1.4
261.22076	5.2
263.20044	1.3
265.52316	0.7
273.18430	19.4
275.20065	3.3
277.21750	2.2
283.15323	3.6
291.19513	52.5
292.19858	1.3
293.21225	1.4
295.22672	0.8
309.20679	2.4
315.22940	0.9
333.24298	1.2
335.25739	34.2
336.26111	1.6
343.30133	0.9
347.22174	2.6
353.24878	0.8
365.23169	11.5
367.24915	1.0
476.56009	0.8
501.35693	1.0
515.38049	0.9
551.40875	1.3
607.43500	1.6
625.44556	14.9
626.44397	1.1
643.45660	15.8
644.46051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
53.03934	1.2
58.06594	1.4
62.77943	0.5
65.17017	0.5
67.05500	0.6
67.13649	0.4
69.26092	1.9
70.06581	1.1
71.04980	0.9
72.20033	0.4
74.06077	0.9
75.04485	0.5
77.03922	1.6
79.05494	1.1
81.07056	0.6
82.06588	0.6
84.08081	0.6
85.02904	1.2
85.06534	0.6
86.46546	0.5
91.05467	3.1
94.06566	3.0
95.04962	9.1
96.08111	0.5
97.06504	0.5
100.07613	0.5
105.03379	52.0
105.04522	2.7
105.07043	1.0
106.03687	1.0
107.04975	0.7
108.08121	4.0
110.09678	0.7
110.72231	0.5
111.08118	1.0
117.07018	1.4
120.08103	0.9
122.09649	0.6
124.07614	0.5
124.79675	0.4
128.06201	1.0
129.07007	1.9
131.08562	1.6
132.08049	0.7
133.81921	0.5
134.09697	0.8
136.07559	0.6
137.05952	0.6
141.07011	0.9
143.08504	0.5
147.04393	1.4
147.08041	0.5
148.07579	0.5
153.07004	0.8
155.08481	0.6
157.06520	0.5
158.09682	0.7
159.08031	0.4
160.07538	0.8
160.11209	0.6
165.06999	0.5
167.07051	1.2
167.08507	1.1
171.08109	0.6
172.04033	0.7
172.11050	0.7
174.05533	0.5
178.07735	0.5
179.08531	0.9
181.04979	0.7
181.10086	0.6
183.08134	0.8
184.11275	0.5
189.07761	0.6
191.08600	0.7
193.10117	1.1
201.01733	0.5
203.08572	0.9
204.06590	0.9
205.06700	0.6
205.10139	0.8
207.08145	0.7
209.09564	0.8
217.10138	1.3
219.11528	0.7
220.11308	0.6
233.09496	0.5
234.14865	0.7
235.07574	0.8
235.11235	1.2
247.11198	0.6
263.10681	1.5
265.12268	0.7
278.15457	0.8
280.95343	0.5
306.14951	1.3
310.17834	0.6
338.17514	2.1
360.17776	0.6
366.16971	10.0
370.20276	3.2
371.20157	0.5
398.19556	1.0
402.22672	1.8
418.15881	1.0
430.22327	1.1
459.17664	0.7
460.21103	1.3
488.20428	1.0
492.24216	2.7
520.23102	2.8
524.26654	4.0
536.08856	0.5
552.25891	9.0
584.28479	13.4
585.28864	0.9
593.43317	0.6
612.26453	1.9
644.30548	100.0
645.30853	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	644.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
53.40797	0.6
53.80519	0.7
55.01871	1.3
55.05506	4.6
57.03430	4.6
58.06595	1.5
59.60833	0.7
60.04510	2.9
61.02920	5.1
62.36467	0.7
65.10846	0.7
67.05492	6.2
69.03413	5.6
69.07062	2.7
69.25114	4.4
69.25443	0.9
70.06573	3.8
71.04980	2.3
73.02909	3.7
79.05486	8.3
81.03406	26.7
81.07042	11.1
83.04977	5.4
83.08617	8.7
85.02893	19.1
85.06495	1.1
86.09734	1.0
87.04447	2.5
91.03947	5.6
91.05471	13.0
93.07030	10.2
95.04958	11.1
95.08579	4.7
97.02887	7.4
97.06494	2.2
97.10160	1.7
97.75157	0.9
98.23437	1.3
99.04404	1.1
99.08095	1.0
103.03954	1.0
105.07014	8.8
107.04947	4.6
107.08588	7.7
109.02870	2.2
109.06505	2.2
109.10178	1.4
111.04449	1.6
111.08080	4.5
111.08718	0.7
112.07584	2.0
113.06046	0.9
114.24303	0.7
115.03922	4.0
117.03342	1.1
117.07082	0.9
119.04902	1.2
119.08554	7.1
121.06481	0.8
121.10111	3.6
123.04431	0.9
123.08058	1.5
126.50222	0.7
127.03883	3.0
129.06972	4.5
131.08521	4.6
133.04939	3.2
133.06551	1.5
133.10092	3.8
135.11688	5.8
137.05959	5.8
140.07007	1.3
142.07759	0.8
145.02814	1.8
145.04971	3.8
147.04411	2.8
147.07956	1.4
147.11650	7.0
149.05948	1.3
149.09598	2.8
151.07553	1.1
153.12778	1.8
155.08545	0.9
157.10104	6.7
161.05927	1.9
161.38475	0.9
163.05977	3.0
163.07407	1.3
163.11186	1.2
165.12738	1.0
165.61067	0.7
167.07005	1.0
172.78685	0.8
175.03818	0.9
175.11197	7.3
177.05440	3.5
180.06529	1.2
189.09044	1.3
193.12213	24.3
201.05481	1.3
207.10158	2.6
211.13283	19.0
240.08344	0.8
246.33690	0.7
264.49619	0.8
267.15878	7.5
270.40729	0.9
276.12421	0.9
285.16925	100.0
286.17371	4.3
287.12854	1.1
288.05289	0.8
303.05072	2.2
313.14459	1.0
331.15384	0.8
350.28912	1.3
359.54517	0.8
429.21088	1.8
447.22018	2.3
644.27081	1.2
644.36584	2.6
645.14258	2.0
645.27338	1.3
655.49200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
54.36511	2.0
55.01867	16.3
55.05254	2.6
55.05499	33.2
57.03429	14.7
57.07052	3.4
59.04977	1.9
65.03922	4.2
67.05493	47.0
68.73888	1.7
69.03407	4.0
69.07055	20.1
69.61713	7.0
71.04967	6.7
71.08628	3.9
76.94133	1.6
79.05479	54.9
80.05792	2.0
81.03403	18.2
81.07041	70.6
83.01325	8.3
83.04966	15.1
83.08610	19.4
85.02898	6.1
85.06520	3.5
91.05461	43.8
93.07030	53.9
94.04184	1.9
95.04956	28.3
95.08585	35.6
97.02865	2.2
97.06512	9.4
97.10144	7.1
98.23439	3.7
99.04409	1.9
103.05417	2.3
105.07003	33.6
106.07333	2.4
107.04938	19.0
107.08569	29.0
109.06482	14.0
109.10145	10.5
110.10470	2.1
111.04435	5.2
111.08047	4.7
117.07003	22.6
119.08564	27.4
121.06467	9.9
121.10121	22.0
122.10572	2.0
123.08051	14.2
125.05973	2.2
125.09609	7.0
128.06209	3.7
129.06973	9.5
130.07791	2.5
131.08559	19.5
133.00464	2.7
133.06461	4.9
133.10088	15.3
135.08038	6.7
135.11632	14.8
137.09631	2.2
141.06949	1.8
143.08551	10.4
145.06473	5.3
145.10088	30.4
146.10477	2.3
147.07999	10.5
147.11644	5.4
149.09579	10.0
149.13269	2.1
151.11192	2.5
155.08525	2.4
157.10094	5.6
159.07983	2.5
159.11697	8.1
161.09561	8.0
161.13202	3.7
163.11143	31.6
163.14793	2.1
171.11584	4.1
173.09642	4.2
173.13196	3.3
175.11110	5.4
177.09091	2.2
181.12177	2.9
185.13232	3.2
189.09160	1.9
189.11093	3.0
191.10695	2.9
191.14313	2.2
193.12312	2.0
195.11647	3.2
197.07263	3.3
199.11218	2.3
209.11703	8.5
215.12743	9.0
215.18062	3.1
223.13266	2.5
227.12784	6.4
227.17741	2.1
255.17336	5.9
267.15985	3.2
273.18427	32.9
275.20059	2.8
276.20560	2.6
283.15344	100.0
284.15771	2.6
291.19470	38.9
293.21002	6.7
307.22635	9.2
309.16034	10.2
316.07077	2.4
327.17282	2.2
347.22000	4.6
365.23242	2.5
367.24518	2.1
383.19775	26.6
401.20779	26.9
406.22067	2.0
447.30661	3.7
555.33038	5.4
559.35547	3.8
573.34357	3.1
591.30823	25.9
609.31708	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	4.8
53.03936	3.9
55.01857	18.3
55.05500	40.7
57.03440	24.6
67.05492	79.6
69.03403	12.9
69.07040	26.6
69.62520	17.5
70.99434	4.3
71.04984	7.2
79.05485	59.3
81.03399	47.5
81.06563	5.7
81.07043	100.0
83.04960	18.3
83.08608	25.6
85.02911	12.1
85.06512	4.9
87.99062	4.0
91.05466	58.8
93.07023	44.4
95.04952	42.2
95.08590	32.0
97.02872	7.0
97.06503	9.8
97.10187	23.3
105.07005	37.9
107.04919	18.3
107.08560	25.5
108.08882	5.0
109.06504	24.5
109.10147	25.6
111.04401	12.3
111.07983	9.5
115.05428	5.1
116.04672	12.0
117.06982	16.8
119.08570	37.7
121.06467	8.7
121.10118	18.8
123.08042	26.6
125.09608	26.8
129.05453	17.2
129.06981	12.6
129.57248	4.5
131.08556	18.0
133.06505	6.5
133.10104	22.8
135.08012	14.1
135.11674	12.3
137.09581	14.3
143.08539	10.6
145.01962	4.9
145.10095	16.6
147.08022	11.8
147.11667	13.6
149.09595	11.9
149.13234	4.6
153.12717	7.4
157.08583	8.3
157.10103	13.3
161.09589	9.4
163.11176	22.4
171.10156	4.9
171.11615	5.6
175.11168	14.0
181.12212	5.4
181.22644	4.2
186.97934	4.5
189.11176	13.7
191.10616	6.4
193.12201	30.4
211.13257	28.1
217.91496	4.4
227.12778	23.0
267.15765	12.0
273.18341	24.7
275.19855	5.5
283.15167	9.3
285.16980	25.9
289.17798	5.0
291.19449	45.9
299.14896	5.7
301.16568	31.6
327.19705	4.4
347.21884	10.1
365.23190	16.6
383.24295	7.2
399.23566	5.3
439.26813	8.7
479.29794	10.1
591.35095	9.3
609.36273	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	644.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42424	3.7
50.93785	3.1
53.03931	7.6
55.01865	11.9
55.05504	42.4
57.03441	21.7
59.04979	4.2
65.03914	5.5
67.05497	64.0
69.03397	6.5
69.07063	29.6
71.04964	3.4
75.04457	7.4
79.05482	59.7
80.05814	4.8
81.03405	72.2
81.07048	83.0
83.01335	3.7
83.04950	16.6
83.08610	41.5
85.02896	8.4
85.06548	4.9
91.05466	56.2
93.07030	70.1
95.04950	67.7
95.08589	35.0
96.05290	4.1
97.06512	9.2
97.10159	14.3
99.04438	6.4
99.08059	7.2
105.07005	50.8
107.04949	15.6
107.08562	43.3
109.06508	26.6
109.10115	21.6
111.04421	12.1
111.08052	12.5
115.05429	4.7
116.29977	3.6
117.07020	19.4
119.08564	35.9
120.08881	5.0
121.06500	8.8
121.10133	32.7
123.08059	11.3
123.11733	6.0
125.09611	14.5
128.06186	4.6
129.06990	14.6
131.04938	3.3
131.08533	25.7
133.10106	26.6
135.08032	13.7
135.11679	15.9
137.09610	8.6
143.08575	8.0
145.10121	31.1
147.08051	8.6
147.11659	16.3
149.09578	18.6
149.13280	5.9
151.11172	4.9
153.12659	5.1
155.08536	5.4
155.10632	4.2
157.10092	14.6
159.08035	6.2
159.11688	13.4
161.09616	4.8
161.13313	4.2
163.11179	30.5
169.10100	4.2
171.11684	5.4
173.13161	5.1
175.11128	6.9
177.12746	6.7
181.12096	4.8
183.11641	3.8
189.11205	8.4
191.14287	4.5
193.12195	29.2
199.14842	3.5
199.43158	3.5
205.12231	5.4
211.13199	4.7
223.13309	32.8
223.16914	7.4
227.12695	12.2
245.15419	3.8
257.19095	3.3
267.13089	6.5
267.15872	100.0
268.16391	4.0
273.18512	5.8
275.20023	42.9
279.16049	4.5
283.15329	15.3
291.19495	9.6
293.21106	22.3
342.20737	3.4
349.23639	16.8
367.24637	28.2
433.25793	6.3
477.28357	42.6
541.35004	19.4
559.36230	63.3
560.36395	7.4
626.36993	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	644.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
53.13850	0.5
55.01859	1.6
55.05503	6.2
57.03424	1.9
57.07070	33.8
59.04988	0.8
62.81271	0.6
65.03915	0.7
67.05492	9.6
68.05822	0.8
69.03409	0.8
69.07061	5.3
71.04984	1.4
71.08622	27.5
73.02886	0.7
73.06551	9.0
75.04471	0.9
79.05473	7.6
80.05815	0.8
81.03408	1.3
81.07049	11.1
82.07381	2.0
83.04954	2.1
83.08614	4.3
85.10170	18.1
85.19956	0.6
87.04462	8.7
89.06019	100.0
91.05457	3.7
91.07591	1.1
93.07032	7.0
94.07370	0.9
95.04976	2.9
95.08584	4.9
97.06479	1.2
97.10170	5.9
99.08084	0.6
99.11716	3.3
105.07018	3.8
107.04953	1.0
107.07067	3.0
107.08554	3.0
108.08913	0.6
108.35866	0.6
109.06503	3.2
109.10126	2.9
111.04446	1.1
111.08084	1.0
111.11724	2.8
113.13280	2.3
117.06970	1.5
117.09115	7.8
119.08588	3.0
120.08975	0.7
121.06467	1.0
121.10122	2.7
123.08037	2.3
125.09628	1.2
127.14860	0.8
129.07048	1.5
130.08620	1.9
131.07030	2.5
131.08537	3.2
133.08588	54.2
133.10153	1.7
135.08055	1.1
135.10143	1.3
135.11729	1.3
137.09685	0.8
143.08572	0.9
145.10098	2.4
147.08057	0.8
147.11626	1.1
149.09627	0.8
149.13289	1.3
157.10155	1.0
159.11702	0.7
161.09634	0.9
161.11714	1.9
163.11195	1.4
164.11462	0.8
169.19475	3.4
170.79364	0.6
171.11671	0.9
173.13225	0.8
175.09653	1.4
177.11203	21.8
177.12764	1.2
184.49934	0.6
209.57446	0.6
211.14713	0.8
213.22098	3.0
219.12186	0.7
221.13712	4.5
227.12909	0.8
239.14848	1.8
257.24725	8.1
258.25201	0.8
265.16513	1.3
273.18420	1.0
274.18854	1.2
276.20273	0.9
278.22070	0.6
283.15051	0.9
283.17734	1.4
291.19547	4.5
292.19849	3.0
301.27286	4.1
307.94647	0.6
318.46570	0.7
327.20068	0.9
332.31198	0.6
335.25702	2.1
336.26071	2.2
365.52142	0.6
371.22821	0.7
459.27921	3.5
626.45178	3.5
627.46783	3.9
644.48065	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	645.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	20.5
55.05506	77.2
56.96178	7.0
57.03431	12.9
57.07069	10.5
64.26974	5.8
67.05490	97.7
69.07053	39.9
71.04968	10.0
71.08604	9.2
71.43655	8.5
75.04463	21.0
79.05484	76.8
81.07046	98.0
83.04964	13.3
83.08589	38.3
89.06048	9.9
91.05463	66.0
92.74842	7.0
93.07020	69.1
95.04953	63.0
95.08584	79.7
97.06546	9.6
97.10153	13.4
99.08060	9.4
105.07013	62.9
107.08569	53.7
109.06524	20.0
109.10145	32.3
111.08067	9.0
113.09612	6.0
117.06998	18.7
119.08558	56.7
121.10132	28.7
123.08071	9.2
123.11724	7.7
125.05951	12.6
125.09626	14.3
129.06981	17.6
131.08524	43.0
133.10123	26.7
134.34988	7.5
135.08034	11.4
135.11667	19.3
143.08562	15.9
145.10086	37.1
147.07983	7.0
147.11676	20.2
149.09610	23.7
149.13240	16.1
151.11205	9.0
155.08577	9.0
157.10088	7.7
159.11668	22.1
161.13222	17.6
163.11177	27.7
163.14861	6.9
165.12729	10.2
169.10129	11.0
171.11635	9.8
173.13246	14.0
179.14276	9.6
181.12242	29.2
182.49448	8.8
183.11630	11.1
197.13156	8.1
209.13333	7.8
223.13321	22.9
229.14255	11.9
236.97345	8.2
243.21037	12.5
259.20578	23.8
261.22052	22.5
275.19943	21.5
277.21576	25.2
293.21133	21.8
295.22638	31.7
333.24136	13.7
335.25821	39.7
351.25180	11.0
367.25089	17.3
368.73956	7.4
423.32678	8.2
499.37936	7.6
517.40369	13.4
534.25629	7.5
535.41089	9.9
555.61359	6.7
609.45111	23.4
627.46265	100.0
645.46283	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	646.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.6
51.02370	1.0
53.03926	1.6
53.05008	0.4
58.06583	0.9
64.19168	0.4
66.98489	0.4
69.03423	0.7
71.04971	0.7
71.88314	0.4
74.06040	0.7
75.04463	0.6
77.03929	1.8
82.06580	0.6
85.02895	1.7
86.09703	1.4
91.05460	2.0
91.68282	0.4
93.07025	0.6
94.06544	1.7
95.04954	9.5
95.05519	0.7
96.08105	0.7
103.05449	0.6
104.10715	2.8
105.03377	72.6
105.04519	4.0
105.07000	0.8
106.03705	1.8
107.04935	0.6
107.07328	0.7
108.08121	1.3
109.06541	1.2
115.05451	1.0
117.06988	2.3
119.08533	0.6
120.08061	0.8
121.06486	1.2
121.45860	0.5
124.07569	3.2
128.06235	0.8
129.07005	1.6
130.05035	0.7
131.04886	0.7
131.08543	1.1
132.08110	1.0
133.02866	0.5
137.06004	1.1
139.49054	0.5
141.07037	1.0
143.08578	0.6
144.08101	0.8
145.06476	0.9
146.05975	0.7
146.09637	0.8
147.04417	1.6
147.08025	1.3
150.09149	0.8
153.06973	0.8
155.08534	1.1
158.09625	1.1
159.08025	0.7
160.07550	3.0
165.05559	1.0
165.06985	1.1
166.07764	0.9
167.07104	0.8
167.08595	1.7
170.09622	0.6
172.11168	0.6
174.05444	1.2
177.05397	0.7
178.07768	0.6
179.08572	1.2
180.09238	0.7
181.04988	0.6
181.06499	0.6
183.08029	0.8
184.07320	0.8
188.07106	0.6
190.07762	0.8
190.12230	2.3
191.08522	0.9
193.10080	0.9
195.11708	0.5
202.07898	1.2
203.08539	0.7
205.10139	2.0
207.08081	0.8
207.11703	0.6
208.13383	0.8
209.09648	1.3
215.08553	0.8
217.10074	1.2
219.08015	0.8
221.09630	0.6
223.11154	1.5
228.10103	0.5
231.08092	0.6
233.09566	1.1
234.10742	0.5
235.11325	0.6
249.09023	1.2
250.12444	0.6
251.10721	0.7
261.09155	0.6
279.10162	0.7
292.34607	0.4
293.11584	0.6
294.14969	0.8
297.07880	0.5
304.13486	0.5
312.15997	0.4
314.17520	0.5
322.14417	1.4
326.17569	1.9
340.15509	0.9
344.18628	1.4
354.17233	0.6
382.16467	1.5
386.19635	0.8
404.20746	0.8
448.21225	2.0
450.19101	0.6
464.20566	0.5
466.22366	1.7
476.20569	1.5
482.21600	0.7
484.33780	0.8
494.21567	1.2
508.23346	4.3
526.24432	4.6
536.22876	0.8
568.25519	4.0
586.26392	11.8
587.26550	0.8
646.28455	100.0
647.28784	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	646.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.6
51.02362	0.9
53.03944	2.0
53.34917	0.3
55.01867	0.4
55.05500	0.5
56.05021	0.6
57.66919	0.4
58.06578	0.9
59.04977	1.1
60.08144	0.6
65.03925	0.4
67.05482	0.8
69.03410	0.9
69.07034	0.6
70.06555	0.6
71.04972	0.5
71.45865	0.4
74.06046	0.7
75.04458	0.7
77.03912	1.7
79.05481	1.4
81.03397	1.1
81.07059	2.0
82.06566	0.5
84.08118	0.7
85.02864	2.7
91.05462	1.8
93.07021	1.2
94.06555	1.4
95.04955	9.4
95.08589	1.7
96.08116	1.5
97.02884	0.9
97.06474	0.5
104.10724	2.4
105.03375	63.0
105.04510	3.4
105.07012	2.4
106.03701	1.1
107.07368	0.4
107.08572	1.8
108.08103	1.6
109.02818	0.5
109.05249	1.3
109.06525	0.6
109.10155	1.2
110.06063	0.6
111.04398	0.4
111.06815	1.6
112.07549	0.6
115.05407	0.6
117.06959	0.8
118.98712	0.3
119.04913	0.4
119.08568	1.6
120.08105	0.8
121.02808	0.4
121.10123	0.9
122.06033	0.5
124.07574	3.9
124.99975	0.5
126.09114	4.3
127.03911	1.1
127.09878	0.4
129.06982	1.0
130.16376	0.4
131.08539	1.0
132.08067	0.8
133.06548	0.5
133.08861	0.9
133.10110	1.2
134.09639	1.5
135.08011	0.5
135.11728	0.5
136.07542	1.2
137.05956	0.7
137.08334	0.5
138.09082	1.0
141.06984	0.6
143.08511	0.6
144.08067	0.6
145.05040	0.5
145.06483	1.0
145.08881	0.6
145.10103	1.1
146.09615	1.0
147.04404	1.1
147.11661	1.1
149.09610	0.4
149.13338	0.4
150.09145	3.5
157.06499	0.5
158.09659	0.9
159.10464	0.5
159.11707	1.2
160.07602	1.0
161.05992	0.7
161.08345	0.5
161.13135	0.4
162.09094	0.9
163.06041	0.5
163.07579	0.4
163.14931	0.5
164.07097	0.5
164.10675	0.8
165.06985	0.5
166.04971	0.5
166.07689	0.5
167.07126	0.7
167.08522	0.5
168.10190	0.4
169.06506	0.8
173.05971	0.4
174.09216	1.0
175.14812	0.9
176.10643	0.6
177.05478	0.9
178.07668	0.4
179.07126	0.4
179.08563	0.8
181.06483	0.7
182.09669	0.5
184.07417	0.6
184.11221	0.5
186.09117	0.7
187.07509	0.5
187.14792	0.5
188.10641	0.6
193.08588	0.4
193.10231	0.8
194.11755	0.6
195.08073	0.7
196.11110	0.5
197.09718	0.4
200.10661	0.5
203.08553	0.4
207.07965	0.9
208.11124	0.5
209.09665	0.8
209.11891	0.5
210.13168	0.4
213.16328	0.8
218.09644	0.4
218.11752	0.4
219.07982	0.6
220.11186	0.4
221.09599	0.8
222.09058	0.6
223.07854	0.4
223.09991	1.1
224.10693	1.2
225.08984	0.5
226.12250	0.6
227.06972	0.4
228.10052	0.6
235.07451	0.7
236.10696	1.0
237.09297	0.6
237.11513	1.4
238.12326	1.3
240.10080	1.9
248.10721	0.6
249.09154	0.7
250.12158	0.6
252.10190	0.8
253.08685	0.5
254.11769	1.6
262.12378	0.7
264.10172	0.9
265.10989	0.7
266.11743	2.2
267.12527	0.5
268.13330	0.9
269.22586	4.2
270.11200	0.7
278.11703	0.7
280.13214	0.5
282.11157	0.7
283.12030	0.7
287.01932	0.7
287.23666	4.6
290.11673	0.8
292.13437	0.4
293.10565	0.6
294.11429	0.5
294.15152	0.5
296.12674	0.5
298.14355	1.2
305.24716	1.3
308.12906	0.7
312.16098	0.5
314.13977	0.6
322.14606	0.6
324.12479	0.6
326.13968	0.5
328.15488	0.5
340.15482	0.6
358.16675	0.6
372.17917	2.6
381.05835	0.5
382.16049	0.5
387.14697	0.9
430.16425	0.5
436.17715	0.5
448.16907	0.4
458.15976	0.5
462.19034	2.2
466.21692	0.4
476.20181	0.7
484.34009	0.8
490.18619	0.9
494.21661	7.5
522.20996	3.1
526.24695	2.3
554.23676	14.3
555.24231	0.8
582.23102	1.0
586.26385	11.8
587.26617	0.8
614.25848	21.3
615.25928	1.7
646.28412	100.0
647.28729	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	646.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05509	0.5
55.60220	0.4
56.05017	1.6
56.84300	0.4
58.06597	5.0
59.05002	0.7
67.05508	1.3
69.07052	0.7
70.06560	1.1
70.52345	0.9
71.04992	1.8
72.08146	2.9
75.04099	0.5
75.04461	2.6
79.05486	2.0
81.07063	0.7
84.08145	0.6
85.02898	0.6
88.07609	1.3
91.05475	4.9
93.06991	1.0
95.04941	2.3
97.06547	0.8
98.09695	0.6
102.09182	3.1
103.05464	0.9
105.03373	8.2
105.04522	0.8
105.07050	2.2
107.04961	0.9
108.08102	2.9
109.06513	1.2
110.33251	0.5
115.05500	0.8
117.07024	1.7
120.08121	0.5
121.06478	1.0
121.08905	0.8
121.10223	0.4
122.09632	1.5
125.01511	1.1
128.06244	0.7
129.07018	1.9
131.08597	1.4
131.39255	0.4
133.06494	0.8
134.09631	0.6
135.08066	2.1
140.10756	0.5
141.06960	1.5
143.08578	1.8
145.06528	0.5
145.10158	0.6
146.09724	0.6
147.08075	1.3
149.02414	0.6
149.09569	0.6
151.07529	0.6
152.10684	1.0
153.07007	0.8
155.08589	1.3
157.10097	0.7
158.09589	2.3
159.08084	0.8
160.11238	0.7
161.09634	0.6
164.10796	0.5
165.06966	1.2
166.07732	1.0
167.08589	1.4
169.10287	0.7
171.08017	0.6
172.11258	1.2
173.09644	0.8
174.09052	0.5
177.09102	0.6
178.07724	0.9
178.12289	1.4
179.08563	2.0
181.10101	1.1
183.07956	0.6
184.11334	0.7
185.09633	1.3
186.91847	0.4
191.08589	1.3
192.09219	0.9
193.10139	1.6
197.09619	0.7
198.12895	1.1
202.07928	0.5
203.08594	2.0
204.09335	1.1
204.13921	0.6
205.10167	1.8
206.49298	0.5
207.11737	1.4
209.09593	0.5
209.13286	0.4
211.11163	0.5
215.08597	1.2
216.09369	0.9
217.10109	1.2
218.10947	0.5
219.11795	0.5
222.10524	0.6
222.12669	0.7
228.09178	0.5
231.06432	0.5
231.11707	1.3
233.13235	0.6
235.11127	0.5
249.12804	0.8
263.14291	1.3
264.17374	0.4
266.15491	1.0
276.17477	0.8
288.17361	0.8
292.16940	0.6
295.16843	0.7
310.17844	0.5
320.20172	1.1
337.77216	0.4
338.21130	1.4
340.19092	0.6
352.22818	1.1
354.20612	1.1
368.18500	1.5
368.22559	0.7
370.23584	0.8
380.22226	1.7
384.21393	0.6
398.23260	0.7
412.24826	8.0
416.24219	5.5
444.27377	32.4
445.27805	1.8
474.28421	0.6
476.30032	30.1
477.30392	1.1
554.26923	0.6
586.29938	1.9
614.29572	1.0
629.47937	0.6
646.31464	100.0
647.31683	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	646.3211
Annotation	Karaconitine
Peak:m/z	Relative Intensity
50.01585	0.4
50.71099	0.5
51.02377	0.8
53.03933	1.8
53.20074	0.4
56.05031	1.0
58.06596	5.3
68.74800	0.5
69.08176	2.1
69.08572	1.5
71.04996	0.7
75.04466	1.4
77.03915	1.8
79.05475	1.3
89.01451	0.5
91.05492	2.1
92.54181	0.5
95.04956	8.4
102.46817	0.6
105.03377	47.0
105.04392	2.7
105.06973	0.7
106.03712	0.5
107.04877	0.7
108.08119	1.3
110.09665	1.3
111.08078	2.0
117.07048	1.3
121.06532	1.1
122.09647	0.6
124.07540	0.7
128.06229	0.5
129.07010	1.6
131.08569	1.4
132.08006	0.6
134.09650	0.7
138.09164	0.6
141.06975	0.6
145.08910	0.6
146.09641	0.7
147.04404	0.9
147.08015	0.6
152.10722	2.1
155.08549	0.7
158.09610	0.5
159.07973	0.7
160.11253	0.6
161.09636	0.6
162.09158	1.3
165.07002	0.9
167.08556	0.7
169.06458	0.7
171.10400	0.7
172.11224	1.2
172.47221	0.6
174.09160	1.8
176.10648	0.6
178.12230	0.8
179.08537	1.1
181.06425	0.6
183.08060	0.7
186.12738	0.7
186.91116	0.5
190.12257	0.6
191.08600	0.7
193.10133	1.0
201.09010	0.6
202.07767	0.5
202.12254	1.5
205.10086	0.8
209.09607	0.9
215.08629	0.7
218.15474	1.8
219.08031	0.6
221.09521	0.7
223.11238	0.6
233.09659	1.0
249.09119	0.7
251.10796	0.8
261.09058	1.3
261.73227	0.5
264.13684	0.5
326.21115	0.8
340.19012	1.8
354.20605	0.9
368.18475	7.9
372.21552	1.2
404.24286	2.2
476.24161	1.1
490.22372	0.8
494.25632	2.0
504.23981	1.1
522.25012	1.1
526.27856	4.6
536.26422	1.4
554.27417	3.9
586.29993	15.3
646.32098	100.0
647.32428	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	646.3211
Annotation	Karaconitine
Peak:m/z	Relative Intensity
51.02366	0.7
51.40432	0.2
53.03940	1.2
55.01854	0.5
56.05029	1.3
58.06593	7.3
59.04985	0.2
64.59792	0.2
65.03939	0.3
67.05488	0.2
68.05013	0.4
69.03428	0.2
69.21472	1.1
70.06572	0.2
71.04974	0.4
72.08141	0.2
74.05963	0.2
75.04465	1.2
77.03911	2.0
79.05473	1.3
80.05016	0.3
81.03403	0.6
81.07014	0.2
82.06586	0.2
83.04959	0.4
84.08109	0.4
85.02913	1.8
85.06513	0.2
87.04445	0.2
88.07626	0.5
91.05460	0.9
93.07043	0.2
94.06550	0.5
95.04956	7.2
96.08110	0.7
97.02864	0.8
97.06516	0.2
98.09687	0.3
102.09172	0.2
105.03378	47.3
105.04397	3.2
105.07027	0.9
106.03713	0.6
107.04941	0.3
108.08109	1.3
109.06509	0.9
110.06069	0.2
110.09695	0.3
111.04404	0.3
115.05456	0.5
117.07008	0.6
119.04904	0.3
119.08558	0.2
120.08118	0.2
121.06469	0.4
121.08855	0.3
122.09647	1.2
123.04420	0.8
123.08102	0.2
124.07542	0.3
125.02335	1.5
128.06213	0.6
129.06981	1.4
131.04939	0.2
131.08490	0.5
134.09650	0.4
135.08014	0.3
137.05925	0.3
138.09100	0.6
139.03816	0.2
141.06940	1.3
141.29964	0.2
142.07741	0.4
143.08548	0.7
144.05711	0.2
145.06458	0.6
145.08846	0.3
146.09615	0.4
152.06213	0.3
152.10683	2.3
153.05788	0.2
153.06995	0.8
154.07721	0.5
154.12318	0.3
155.08488	1.4
157.10118	0.5
158.09612	0.7
159.08054	0.4
159.10464	0.3
160.11206	0.3
161.09630	0.2
165.06999	1.1
166.07750	0.5
167.08534	1.4
168.09331	0.2
169.06479	0.4
169.10104	0.6
170.07213	0.3
170.09624	0.3
171.08020	0.9
172.11182	0.8
173.09680	0.4
173.12010	0.2
178.07744	0.6
179.08560	1.3
181.06497	0.4
181.10143	0.5
182.09612	0.4
183.08095	0.6
184.11171	0.9
185.09634	0.6
185.11952	0.3
186.10355	0.3
186.12811	0.6
187.11246	0.2
190.07808	0.7
190.12297	0.6
191.08533	1.0
192.09256	0.3
193.10135	0.8
194.07321	0.5
195.08035	0.5
196.11255	0.5
197.09674	0.5
197.11925	0.2
198.12773	0.7
199.11159	0.2
200.10722	0.4
202.07788	0.6
202.12270	0.3
203.08545	1.2
204.09337	0.6
205.10143	1.1
207.08005	0.6
208.08928	0.2
208.11148	0.4
209.09621	0.5
210.12741	0.7
211.11316	0.2
211.13530	0.3
212.14397	0.5
214.12331	0.3
215.08672	0.5
215.10631	0.2
217.10130	0.6
218.07210	0.4
219.08009	0.5
219.11685	0.3
220.09052	0.3
221.09581	0.7
223.11128	0.3
225.09047	0.3
229.10204	0.4
232.08768	0.4
233.09616	1.2
235.11269	0.5
236.84865	0.2
237.09178	0.4
242.15358	0.5
245.09706	0.5
249.12762	0.3
250.12184	0.3
251.10696	0.5
261.09152	0.4
263.10574	0.5
265.12274	0.4
266.15332	0.3
280.16492	0.2
290.15344	0.3
293.11691	0.3
306.14856	0.5
389.89502	0.2
428.18573	0.5
490.22168	0.9
496.23148	0.7
522.24799	2.8
554.27386	11.8
555.27905	0.3
586.30212	1.4
609.46082	0.2
614.29242	0.7
636.22339	0.2
646.32092	100.0
647.32391	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	646.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03941	0.9
55.01858	1.0
56.05030	2.0
58.06598	9.6
67.05496	2.2
69.07068	0.9
70.06592	2.6
71.44269	0.8
72.08147	1.3
75.86162	0.8
77.03913	1.4
79.05499	2.7
80.51618	0.9
81.07024	2.0
82.06567	0.9
91.05464	4.7
93.07046	2.1
95.04957	7.4
98.09705	1.2
102.09178	6.5
105.03381	52.0
105.04510	1.7
105.07034	1.9
107.04919	0.9
107.08564	1.2
108.08118	3.0
110.09679	0.9
115.05421	0.8
117.07033	3.1
119.08594	1.5
122.09613	1.1
128.06219	1.6
129.06973	1.8
131.08598	2.1
145.10150	1.0
147.08220	0.9
149.02332	2.5
152.10732	1.2
153.07014	1.1
155.08559	1.4
157.10194	1.0
165.07054	1.9
178.07777	1.3
178.12210	0.9
179.08588	1.8
181.10110	1.1
191.08653	1.6
192.09296	1.7
193.04979	1.3
193.10255	1.1
200.20076	1.7
205.10226	1.7
207.08031	0.8
207.11922	0.9
211.11441	0.9
217.10172	0.9
218.15594	0.9
219.11795	0.8
223.11267	1.0
239.09154	0.8
241.97699	0.8
272.59473	0.8
312.22073	1.0
316.96887	0.9
338.21277	1.2
368.18549	1.8
372.24222	3.0
408.93625	0.9
418.79892	1.1
429.11862	1.0
449.25131	1.1
460.24686	9.8
464.24277	4.6
492.27325	20.5
492.33856	1.3
524.29968	13.8
525.31635	0.9
526.27844	1.6
554.27350	1.2
576.29559	1.0
586.29828	3.2
614.31323	1.2
646.33344	100.0
647.33929	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	648.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05524	0.4
58.06579	1.0
65.03928	4.1
70.06593	1.4
71.04989	1.1
75.04482	2.1
79.05482	1.2
81.07029	0.7
82.06599	0.7
84.08114	0.6
85.02908	1.5
85.06580	0.5
88.07620	0.7
91.05476	1.6
94.06580	1.7
95.04978	1.3
96.08112	0.7
97.06582	0.6
103.05510	0.5
105.03384	3.9
105.07019	1.1
107.05004	0.5
108.08116	1.1
109.06506	0.7
111.04433	5.6
111.08043	2.0
115.05447	0.8
117.07042	1.7
118.06888	0.5
120.08123	0.5
121.02851	49.1
121.03938	2.1
121.10063	0.4
122.03239	0.7
123.04414	0.5
127.03838	0.4
128.06219	0.7
129.06981	2.2
131.04933	0.5
131.07310	0.5
131.08556	1.0
132.08116	0.9
134.09602	0.4
135.08037	0.7
137.05956	1.0
138.09154	1.6
141.06944	0.6
141.09067	0.6
143.08539	0.6
144.08089	0.7
145.06544	0.6
146.05971	0.5
146.09634	1.0
147.04434	0.8
148.07567	1.0
153.07066	0.8
155.08549	0.9
157.06494	0.6
157.08890	0.6
158.09705	0.5
159.08087	0.7
160.07610	1.8
161.09561	0.6
164.10719	0.5
165.07022	0.7
167.08516	0.7
170.09642	0.9
171.08093	0.7
172.11235	0.9
174.05515	0.6
176.10725	0.9
178.72856	0.4
179.08571	1.0
179.95146	0.4
181.10248	0.7
181.12007	0.4
183.08092	0.5
186.09192	0.7
188.10709	0.6
191.08601	0.8
193.10185	0.6
194.07130	0.5
195.08260	0.6
202.12291	0.6
203.08604	0.9
204.09436	0.7
204.13847	1.2
205.10181	0.9
211.07524	0.7
214.12305	0.5
217.10188	0.7
219.08017	0.9
221.09662	0.9
222.12805	0.6
223.11105	0.7
233.09610	1.0
234.10313	0.5
261.09146	1.0
263.10724	0.8
276.14084	0.5
282.14914	0.6
292.13086	0.4
293.11761	0.5
305.24966	0.5
322.14404	0.6
326.17557	1.1
336.15915	0.4
340.19275	0.8
354.16953	7.8
358.20047	0.8
368.18219	0.6
390.22766	1.7
474.19028	0.6
478.22168	0.9
496.23489	1.1
506.21710	1.7
524.10962	0.5
524.22711	2.2
528.26233	2.6
538.24359	1.8
556.25403	4.1
570.27118	0.6
588.27942	11.5
589.28265	0.8
648.30029	100.0
649.30444	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	648.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.7
51.02369	0.7
53.03936	1.5
55.01850	0.7
56.99414	0.5
58.06591	1.1
63.36432	0.5
71.04979	0.9
75.04475	1.6
77.03917	1.5
79.05500	0.8
91.05478	0.8
94.06569	1.2
95.04952	7.3
97.02850	0.5
105.03376	50.8
105.04522	3.3
105.07005	1.3
106.03720	2.1
108.08110	1.3
111.08060	0.6
122.39397	0.5
126.09161	0.6
129.06998	1.9
131.04890	0.7
132.08076	0.7
133.06516	0.8
135.08092	0.8
138.09114	1.6
144.08089	1.0
146.09625	1.9
147.04277	0.6
148.07520	0.8
159.08064	0.7
160.07558	1.0
165.07008	0.6
167.08656	0.7
169.06528	0.5
171.08046	0.6
174.09137	0.6
176.10701	0.6
178.07802	1.0
179.08575	1.8
181.06555	0.9
181.10164	1.0
191.08521	1.0
193.10117	0.6
203.08551	1.1
205.10172	1.3
207.08087	1.7
209.09662	1.2
219.08113	0.7
221.09581	1.4
231.07892	0.7
231.67570	0.6
233.09740	1.2
235.07585	1.7
237.09221	0.7
249.09158	1.5
251.10704	0.7
259.45752	0.6
262.12250	0.6
263.10724	1.0
265.12256	0.7
267.10034	1.1
268.63077	0.5
277.08627	0.7
278.11859	0.5
342.16885	0.9
352.15509	0.7
356.18771	0.7
370.16333	4.6
370.20251	0.5
384.18121	0.7
388.21552	0.6
478.22403	1.4
496.23059	1.0
506.21960	1.4
524.22925	1.3
528.25940	1.7
538.24408	1.6
556.25128	1.6
588.27820	10.1
589.28131	0.9
598.26172	0.6
616.27179	0.7
648.29993	100.0
649.30408	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	648.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.2
51.02373	0.5
53.03935	0.9
53.88218	0.2
55.01857	0.4
57.02419	0.2
58.06571	0.4
65.03926	0.4
67.05489	0.2
69.03414	0.3
69.11143	0.3
69.11542	0.8
70.06577	0.5
71.04970	0.3
74.06069	1.1
75.04468	1.9
77.03921	1.1
79.05504	0.9
79.05874	0.2
81.03391	0.4
82.06569	0.5
84.08127	0.6
85.02895	1.3
88.07624	0.6
91.05471	1.4
93.03380	0.4
94.06564	1.6
95.04957	5.3
96.08114	0.3
97.02855	0.6
97.06528	0.4
98.06056	0.4
98.23415	0.4
100.07629	0.2
103.05434	0.5
105.03377	30.2
105.04400	2.1
105.07006	0.7
106.03699	0.3
107.04921	0.3
107.07314	0.6
108.08102	1.5
109.02839	0.4
109.06495	0.8
110.06058	0.3
111.04419	0.9
114.09150	0.2
115.05389	1.4
116.06232	0.2
117.07019	1.1
119.04929	0.4
119.08559	0.3
120.08090	0.3
121.02856	1.0
121.06453	0.2
123.04424	0.9
124.07571	0.4
125.02346	0.7
125.05994	0.5
128.06216	1.7
129.06984	3.8
130.07722	0.3
131.04890	0.3
131.07294	0.5
131.08556	1.2
132.08063	0.3
133.06468	0.4
134.09554	0.2
135.08028	0.4
136.07581	0.4
137.05980	0.4
138.09122	1.9
139.03885	0.8
141.06966	1.8
142.07759	0.3
143.08528	1.5
144.05672	0.4
144.08040	1.1
145.06487	1.1
145.08835	0.8
145.10014	0.4
146.09628	1.5
147.08022	0.5
147.10373	0.3
149.02341	0.5
149.06029	0.3
150.09161	0.4
153.05516	0.4
153.06999	0.9
154.06474	0.2
155.04884	0.6
155.06038	0.4
155.07365	0.3
155.08513	1.2
156.08054	0.4
157.06499	0.6
157.08873	0.5
158.07263	0.4
158.09625	1.4
159.08005	2.2
159.10326	0.2
160.07498	0.2
160.08766	0.3
160.11188	0.4
161.05962	0.2
161.08360	0.3
161.09618	0.7
164.10771	0.2
165.07005	0.7
167.08553	0.8
168.08096	0.4
169.06465	1.1
169.08841	0.4
170.09624	2.7
171.08000	1.5
171.10455	0.5
172.07515	0.3
172.11168	1.7
173.09583	1.1
174.09113	0.6
176.10712	0.4
178.07692	0.9
178.12257	0.2
179.08537	1.4
180.10234	0.2
181.06468	0.4
181.08803	0.3
181.10210	0.5
182.07213	0.2
182.09663	0.8
183.08005	0.6
183.10597	0.2
184.07463	0.2
184.08908	0.3
184.11296	0.3
185.05963	0.3
185.09634	0.3
186.09140	0.7
187.07503	0.7
187.09889	0.3
188.10692	0.7
190.07726	0.5
191.08565	1.0
191.10309	0.2
192.09271	0.3
193.10069	1.2
194.07359	0.2
194.09673	0.5
195.08070	0.9
195.10355	0.4
196.11281	0.6
197.09685	0.6
198.09155	0.8
199.07561	0.7
200.10696	0.6
201.09152	0.4
201.11432	0.2
202.07806	0.6
202.12244	1.1
203.08492	0.9
204.13823	0.3
205.06483	0.3
205.10162	0.8
207.08058	1.3
208.08774	0.3
209.09633	0.9
210.09116	0.4
211.07616	0.2
212.10684	0.8
213.11470	0.2
214.12270	0.6
215.08667	0.4
215.10695	0.2
217.10246	0.3
218.07346	0.3
218.09598	0.2
219.08025	0.9
219.96742	0.2
220.08809	0.5
220.11188	0.2
221.09624	1.0
223.07506	0.4
223.11288	0.4
224.10689	0.4
225.09158	0.3
226.12227	0.4
228.13773	0.2
231.08055	0.9
231.10170	0.3
232.09004	0.3
232.13301	0.2
233.09633	0.9
234.06741	0.2
234.10471	0.3
234.12735	0.2
234.14972	0.3
235.07591	0.4
235.11156	0.6
236.10655	0.2
237.09093	0.6
238.12297	0.3
239.10750	0.4
242.11768	0.2
244.13271	0.2
245.09508	0.3
246.14975	0.5
247.07544	0.5
248.08315	0.4
248.10658	0.4
249.09157	0.9
250.09892	0.2
250.12320	0.6
251.10689	0.4
251.13075	0.2
253.12291	0.2
261.09158	0.4
263.10770	0.4
264.10806	0.2
264.13782	0.2
266.11673	0.3
274.12314	0.4
277.08496	0.3
278.11810	0.5
279.10080	0.3
280.13284	0.3
281.11707	0.3
282.15060	0.2
284.10251	0.2
291.10147	0.3
292.13287	0.6
294.27890	0.2
302.11700	0.2
309.11298	0.2
320.12875	0.4
322.14215	0.3
324.15851	0.2
334.14304	0.2
341.14029	0.2
352.15524	0.3
370.16779	0.3
384.18011	0.2
402.19379	0.2
450.75589	0.2
466.18689	0.5
492.20200	0.8
498.21112	0.4
506.21753	0.8
524.22784	3.2
526.24408	0.2
538.24109	0.2
556.25342	7.6
557.25653	0.4
570.26782	0.2
588.27930	4.8
588.37537	0.2
589.28217	0.3
616.27521	0.3
648.30005	100.0
649.30243	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	648.3001
Annotation	Beiwutine
Peak:m/z	Relative Intensity
50.01585	0.6
51.02369	1.0
53.03935	1.2
58.76379	0.5
67.35454	0.5
68.73785	0.5
69.99978	1.4
75.04468	0.8
77.03914	1.4
78.14756	0.5
80.71220	0.5
85.51052	0.5
91.05482	1.0
94.06552	2.1
95.04958	7.0
98.06036	0.5
98.22710	0.6
105.03381	39.3
105.04523	2.4
105.07010	0.7
106.03707	1.0
107.04996	0.5
108.08100	0.9
117.06973	1.1
123.04402	0.6
124.07594	1.0
129.06987	1.0
132.08075	0.6
133.08812	0.5
137.05914	0.8
138.09132	1.5
144.08064	1.3
145.06493	1.1
146.09639	1.4
149.06038	0.5
160.07590	1.6
160.68092	0.5
165.06982	1.1
167.08615	0.6
170.09653	0.9
171.06432	0.5
171.37297	0.5
177.09119	0.7
178.07759	0.6
179.08580	1.4
182.09702	0.7
186.09174	0.7
188.07251	0.5
191.08568	0.9
193.10181	1.0
195.08049	0.7
203.08554	1.4
203.42081	0.5
205.10089	1.2
207.08044	1.5
219.08041	0.9
221.09639	1.3
225.09265	0.6
226.12373	0.7
233.09734	0.9
235.07672	1.2
235.11218	0.7
237.09206	0.6
247.07549	0.6
248.10861	0.6
249.09081	1.7
250.12424	0.7
263.10587	0.5
267.10196	0.9
278.11707	0.9
279.10266	0.6
324.16376	0.6
342.16989	0.6
370.16483	3.9
373.20966	0.6
384.18140	0.6
406.22717	0.7
478.22144	1.8
480.20419	0.9
496.23141	1.1
506.22012	1.4
510.25012	0.5
524.22687	1.4
528.26099	1.4
538.24323	2.5
556.25226	1.8
588.27924	11.7
595.99554	0.6
598.26526	1.3
616.27826	0.9
648.30023	100.0
649.30249	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	649.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02340	0.4
53.00285	0.1
53.03936	2.7
54.04259	0.3
54.04498	0.1
55.01859	0.9
55.05487	0.2
56.05014	0.2
57.03427	0.2
58.02957	0.1
58.06318	0.1
58.06587	1.4
59.04985	0.4
59.06910	0.1
60.04478	0.1
61.02908	0.3
63.02351	0.1
65.03925	0.5
67.04238	0.1
67.05480	0.4
68.02628	0.1
68.05010	0.3
68.99770	0.2
69.03413	2.5
69.07041	0.1
70.06576	1.2
71.01300	0.1
71.04985	1.0
72.05315	0.1
72.08145	0.1
73.02907	0.1
74.06064	1.0
75.02379	0.1
75.04464	3.7
76.04788	0.1
77.03905	3.1
78.04250	0.4
79.05478	1.6
80.05002	0.2
80.05821	0.2
81.03395	0.7
81.05780	0.1
81.07042	0.7
82.06564	0.9
82.07362	0.1
83.04967	0.3
84.04477	0.3
84.08139	0.5
85.02890	1.8
85.06503	0.3
86.03207	0.1
86.06060	0.2
87.04449	0.7
87.04924	0.1
87.06831	0.2
88.07610	1.0
89.03899	0.1
91.05460	2.6
92.05787	0.3
93.03379	0.2
93.05783	0.1
93.07038	0.5
94.04192	0.1
94.06552	3.8
95.04948	17.1
95.06879	0.4
95.08601	0.1
96.04508	0.2
96.05268	1.7
96.08129	0.7
97.02870	16.4
97.06484	0.4
98.03220	0.2
98.06030	0.9
99.04446	0.2
100.07589	0.3
101.05962	0.3
102.05554	0.1
103.05432	0.9
103.06061	0.1
104.05774	0.1
104.87540	0.1
105.03371	100.0
105.04379	5.8
105.06985	2.3
106.03696	13.6
106.04847	0.6
106.06606	0.3
106.07253	0.3
106.58270	0.1
107.04928	0.8
107.07309	0.9
107.08538	0.1
108.04463	0.3
108.05202	0.1
108.08099	3.3
109.02840	0.2
109.05252	0.2
109.06496	1.1
109.08372	0.5
110.06033	0.5
110.06792	0.1
111.04413	0.7
111.06804	0.2
111.08055	1.7
112.04733	0.1
112.07572	0.3
112.08401	0.2
113.05956	0.1
114.09151	0.1
115.03916	0.5
115.05424	1.4
115.07580	0.1
116.05732	0.2
117.05756	0.4
117.06985	1.5
118.04150	0.2
118.06524	0.6
118.07355	0.2
119.04926	1.1
119.07356	0.1
119.08508	0.4
120.05278	0.2
120.08085	1.4
120.08935	0.1
121.02843	0.4
121.06487	1.0
121.08952	0.4
122.06021	0.4
122.06799	0.1
122.09694	0.4
123.04420	0.6
123.06803	0.1
123.08072	0.2
124.04674	0.1
124.07568	1.7
125.05948	0.3
125.07916	0.2
126.09129	1.0
127.03912	0.2
127.05455	0.1
127.09440	0.1
128.06189	1.3
128.07135	0.1
129.06999	2.6
130.06488	0.2
130.07275	0.4
131.04884	0.9
131.07291	0.8
131.08542	0.5
132.05611	0.1
132.08067	1.7
132.08978	0.1
133.02818	1.1
133.06456	1.1
133.08759	0.3
133.09827	0.1
133.10214	0.1
134.03142	0.1
134.05959	0.2
134.06801	0.1
134.09653	0.6
135.04399	0.8
135.06584	0.1
135.06960	0.1
135.08009	1.0
135.10184	0.1
136.04733	0.1
136.07547	0.6
136.08348	0.1
137.02303	0.1
137.05956	1.0
137.08263	0.3
137.13153	0.1
138.03114	0.1
138.06320	0.1
138.09109	3.0
139.03870	4.4
139.07539	0.1
139.09381	0.4
140.10689	0.7
141.05782	0.1
141.06944	1.3
141.08017	0.1
141.09096	0.3
141.11014	0.1
142.07477	0.3
143.04909	0.2
143.07292	0.2
143.08542	0.5
144.05682	0.6
144.08034	2.4
145.04988	0.2
145.06450	1.5
145.08771	0.8
145.10063	0.1
146.03600	0.3
146.05905	0.4
146.06944	0.2
146.09616	2.7
147.04376	1.6
147.06767	0.2
147.08025	0.7
147.09879	0.6
148.04794	0.2
148.07529	1.2
148.11147	0.1
149.02370	0.1
149.05943	1.4
149.07909	0.1
149.09500	0.1
149.13174	0.1
150.06320	0.2
150.09111	1.1
151.03903	0.1
151.07530	0.2
151.09770	0.3
152.06029	0.3
152.10648	0.2
153.01797	0.1
153.05472	0.4
153.06978	0.7
154.07526	0.3
155.04892	0.3
155.06052	0.2
155.07207	0.1
155.08499	0.8
156.05534	0.1
156.07866	0.1
156.08952	0.2
156.10063	0.1
157.04961	2.4
157.06465	0.9
157.08835	0.4
157.10028	0.1
158.07158	0.3
158.09599	0.8
159.04402	0.3
159.06744	0.1
159.08005	1.4
159.09982	0.3
160.07501	3.7
160.11125	0.4
161.02350	0.1
161.05974	0.8
161.07956	0.8
161.09576	0.2
161.11623	0.1
163.03896	0.2
163.06146	0.2
163.07526	0.6
163.09717	0.2
164.07031	0.2
164.10657	0.6
165.05461	0.5
165.07002	1.4
165.09143	0.2
165.11133	0.1
166.07574	0.7
166.12190	0.1
167.04880	0.1
167.07092	0.2
167.08508	1.4
168.05760	0.1
168.08003	0.2
168.09015	0.2
168.10207	0.2
169.06435	0.8
169.08780	0.4
169.10204	0.3
170.07027	0.3
170.09573	1.7
170.11812	0.1
171.04370	0.1
171.06631	0.1
171.08037	1.0
171.10263	0.5
172.07564	0.3
172.08743	0.2
172.11133	0.4
173.05963	0.2
173.08252	0.2
173.09612	0.3
173.11548	0.1
174.05411	0.4
174.09067	0.7
175.03848	0.1
175.06113	0.3
175.07570	0.4
175.09731	0.3
176.06995	0.9
176.10657	1.1
177.05461	0.7
177.07256	0.3
177.08987	0.4
177.11240	0.2
178.05945	0.1
178.07646	2.0
178.12204	0.5
179.08478	2.8
179.12578	0.1
180.08836	0.8
180.10429	0.3
181.04955	0.1
181.06500	0.8
181.08705	0.2
181.10114	0.6
182.07069	0.4
182.09404	0.5
183.04433	0.1
183.06532	0.1
183.08034	0.8
183.10210	0.3
183.11726	0.1
184.05095	0.1
184.07346	0.1
184.08693	0.2
184.11081	0.3
185.05962	0.6
185.08173	0.1
185.09631	0.3
185.11789	0.1
186.06564	0.1
186.09021	1.0
187.03961	0.1
187.07727	0.4
187.09502	0.4
188.06921	0.6
188.10652	0.8
189.05312	0.1
189.07225	0.5
189.07512	0.4
189.09195	0.1
189.11168	0.3
190.07593	1.1
190.12212	0.2
191.06889	0.1
191.08472	1.8
191.12505	0.1
192.08989	0.8
193.04965	0.1
193.06435	0.3
193.10078	1.9
194.07198	0.5
194.10539	0.5
195.08023	1.3
195.10211	0.2
195.11765	0.2
196.08798	0.5
196.11053	0.4
197.06027	0.4
197.07895	0.1
197.09706	0.7
197.11508	0.1
198.06509	0.2
198.08878	0.6
198.12715	0.1
199.05954	0.4
199.07549	0.5
199.09642	0.2
199.11340	0.1
199.13161	0.1
200.08131	0.1
200.08833	0.1
200.10689	0.6
201.09056	0.2
201.11198	0.3
202.07607	0.9
202.12183	0.6
203.08504	2.2
203.12503	0.1
204.09019	0.6
204.10352	0.4
204.13536	0.1
205.06529	0.4
205.10109	2.1
206.07216	0.6
206.10208	0.5
206.11867	0.2
207.08018	2.9
207.10040	0.1
207.11876	0.4
208.08537	1.2
208.11263	0.4
209.05923	0.3
209.09619	1.4
209.11665	0.2
210.06609	0.3
210.09854	0.3
210.12654	0.1
210.14836	0.1
211.07628	0.7
211.09538	0.2
211.11137	0.3
211.12961	0.1
212.07938	0.2
212.10727	0.5
213.05502	0.1
213.09094	0.4
213.11194	0.2
214.05884	0.1
214.08656	0.2
214.12140	0.3
215.06789	0.1
215.08662	0.6
215.10555	0.1
215.12709	0.1
216.09073	0.2
216.10410	0.1
217.06976	0.5
217.10220	0.3
218.07266	0.6
218.09630	0.2
218.11771	0.2
219.08034	1.4
219.10237	0.2
219.12045	0.1
220.08705	0.9
220.11185	0.4
220.13000	0.6
221.05949	0.2
221.09583	2.3
221.11697	0.2
221.13693	0.1
222.06607	0.2
222.09958	0.8
222.12718	0.2
223.07559	0.9
223.11287	0.6
223.13248	0.1
224.08101	0.5
224.10738	0.7
225.05524	0.1
225.09039	0.8
225.11247	0.3
226.09334	0.3
226.12247	0.4
227.06958	0.1
227.10712	0.1
227.12744	0.2
228.10236	0.2
228.13676	0.1
229.08565	0.1
229.10625	0.1
230.07404	0.1
230.09630	0.1
230.11742	0.3
231.08022	1.2
231.10367	0.2
232.08542	0.7
232.11159	0.5
232.13313	0.1
233.06020	0.1
233.09560	1.7
233.11613	0.2
234.06868	0.4
234.09964	0.6
234.12761	0.3
235.07509	2.4
235.11279	0.9
235.13301	0.1
236.07990	0.9
236.10883	0.5
237.09117	1.2
237.11292	0.2
237.13036	0.1
238.09525	0.6
238.12276	0.4
238.14401	0.3
239.06975	0.2
239.10669	0.9
239.12787	0.2
239.14706	0.1
240.07913	0.1
240.10699	0.4
240.13635	0.1
241.08594	0.2
241.10641	0.1
242.09406	0.1
242.11894	0.2
243.08102	0.1
243.10133	0.1
243.12216	0.1
244.11066	0.1
244.13345	0.2
245.09528	0.3
245.11766	0.1
246.06770	0.1
246.09146	0.1
246.12689	0.3
246.14903	0.1
247.07538	0.5
247.09639	0.1
247.11214	0.1
247.13251	0.1
248.08195	0.7
248.10748	0.7
249.09021	2.3
249.11304	0.4
250.09540	1.1
250.12279	0.9
251.07001	0.4
251.10573	0.7
251.12781	0.3
252.07704	0.5
252.10527	0.5
252.13747	0.2
253.08444	0.8
253.10709	0.1
253.12202	0.2
253.14415	0.1
254.08968	0.4
254.11879	0.4
255.10132	0.2
255.12326	0.2
256.10870	0.1
256.13263	0.3
257.11554	0.1
257.13809	0.1
259.07501	0.3
259.09836	0.2
260.08115	0.3
260.10690	0.4
261.09055	0.7
261.11441	0.2
262.09393	0.4
262.12210	0.5
263.06967	0.2
263.10602	1.3
263.12891	0.1
264.07553	0.2
264.10831	0.7
264.13818	0.4
265.08292	0.3
265.11978	0.3
265.14594	0.1
266.09048	0.2
266.11890	0.5
266.15027	0.1
267.06668	0.1
267.09973	1.6
267.12378	0.2
268.10449	0.7
268.13345	0.4
269.11554	0.1
269.14017	0.1
270.11462	0.2
270.14804	0.2
271.24338	0.1
273.11334	0.1
274.09616	0.1
274.12109	0.5
275.10199	0.1
275.12857	0.2
276.07602	0.1
276.10431	0.2
276.13910	0.2
277.08536	0.9
277.11072	0.2
278.08890	0.5
278.11786	0.9
278.15009	0.1
279.10031	0.4
279.12717	0.4
280.10208	0.3
280.13348	0.4
281.11420	0.5
281.14273	0.1
282.11755	0.4
282.14938	0.4
283.09338	0.1
283.15274	0.2
284.10086	0.1
284.12933	0.2
285.10995	0.1
286.14517	0.1
287.05417	1.4
289.08356	0.1
289.25092	0.1
290.11725	0.3
291.09674	0.4
291.12750	0.1
292.10239	0.2
292.13321	0.7
293.11115	0.1
293.13724	0.2
294.11478	0.4
294.14874	0.2
295.09497	0.1
295.12567	0.1
296.12952	0.4
296.16443	0.2
297.13223	0.2
298.11154	0.1
298.14407	0.4
299.14960	0.1
300.12656	0.1
300.15842	0.1
302.11282	0.3
303.12143	0.2
304.09473	0.1
304.13144	0.1
306.11218	0.2
306.14828	0.2
307.11740	0.1
307.15231	0.1
308.09647	0.1
308.12820	0.4
309.11194	0.4
310.11282	0.2
310.14429	0.6
311.14850	0.2
312.12726	0.1
312.15952	0.2
314.17377	0.1
318.11169	0.1
320.12802	0.5
321.13284	0.3
322.14465	0.1
323.12506	0.2
324.12546	0.2
324.15967	0.6
325.13037	0.1
325.16266	0.4
326.13882	0.2
328.15509	0.2
328.18906	0.1
329.15845	0.1
330.17166	0.1
334.14490	0.1
335.14850	0.1
336.12354	0.1
338.14069	0.3
338.17316	0.1
339.14172	0.1
340.15536	0.1
341.14063	0.2
342.13263	0.0
342.16998	1.0
343.17340	0.5
352.15308	0.9
353.15829	0.5
356.14627	0.1
356.18515	0.9
357.18903	0.5
358.16547	0.1
360.17749	0.1
360.21844	0.1
366.17227	0.2
370.16415	5.2
371.16760	2.8
374.19781	0.5
375.19922	0.2
384.17969	0.6
385.18277	0.4
388.16235	0.1
388.20853	0.4
389.21634	0.2
398.19568	0.1
401.14700	0.1
402.19144	0.3
403.19321	0.2
406.21988	0.5
407.22702	0.3
414.17453	0.1
416.20526	0.5
417.20981	0.3
418.16409	0.1
419.16989	0.1
420.18039	0.2
421.18256	0.1
431.15674	0.1
433.18158	0.1
434.21609	0.3
435.21750	0.1
442.16785	0.1
445.16763	0.1
446.19315	0.2
447.19971	0.1
448.17569	0.1
449.17731	0.1
449.23508	0.1
450.18964	0.1
451.19644	0.1
452.21170	0.1
453.20471	0.1
460.16919	0.1
461.17484	0.1
462.19019	0.1
464.20734	0.2
465.21021	0.2
474.18845	0.3
475.19336	0.4
476.17850	0.1
478.22290	1.1
479.22501	1.1
480.20261	0.2
481.20306	0.3
482.21857	0.1
483.22067	0.2
488.20596	0.2
489.21170	0.2
492.20264	0.3
493.20016	0.4
495.22424	0.1
496.23102	0.7
497.23706	0.5
506.21637	1.3
507.22052	1.5
510.25079	0.3
511.24759	0.4
512.94037	0.1
513.22656	0.1
524.22754	1.0
525.23035	0.9
528.25854	1.7
529.26129	1.6
538.24139	1.6
538.31677	0.1
539.24573	1.7
556.25287	1.8
557.25665	1.8
566.23846	0.1
567.24023	0.2
570.27209	0.4
571.27008	0.4
585.25146	0.1
588.27875	7.8
589.28210	6.8
590.28210	0.1
598.26306	0.8
599.26685	0.9
616.27509	0.5
617.27759	0.4
630.28741	0.2
648.29956	55.4
649.30261	68.6
650.30548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
51.02340	0.4
53.00285	0.1
53.03936	2.7
54.04259	0.3
54.04498	0.1
55.01859	0.9
55.05487	0.2
56.05014	0.2
57.03427	0.2
58.02957	0.1
58.06318	0.1
58.06587	1.4
59.04985	0.4
59.06910	0.1
60.04478	0.1
61.02908	0.3
63.02351	0.1
65.03925	0.5
67.04238	0.1
67.05480	0.4
68.02628	0.1
68.05010	0.3
68.99770	0.2
69.03413	2.5
69.07041	0.1
70.06576	1.2
71.01300	0.1
71.04985	1.0
72.05315	0.1
72.08145	0.1
73.02907	0.1
74.06064	1.0
75.02379	0.1
75.04464	3.7
76.04788	0.1
77.03905	3.1
78.04250	0.4
79.05478	1.6
80.05002	0.2
80.05821	0.2
81.03395	0.7
81.05780	0.1
81.07042	0.7
82.06564	0.9
82.07362	0.1
83.04967	0.3
84.04477	0.3
84.08139	0.5
85.02890	1.8
85.06503	0.3
86.03207	0.1
86.06060	0.2
87.04449	0.7
87.04924	0.1
87.06831	0.2
88.07610	1.0
89.03899	0.1
91.05460	2.6
92.05787	0.3
93.03379	0.2
93.05783	0.1
93.07038	0.5
94.04192	0.1
94.06552	3.8
95.04948	17.1
95.06879	0.4
95.08601	0.1
96.04508	0.2
96.05268	1.7
96.08129	0.7
97.02870	16.4
97.06484	0.4
98.03220	0.2
98.06030	0.9
99.04446	0.2
100.07589	0.3
101.05962	0.3
102.05554	0.1
103.05432	0.9
103.06061	0.1
104.05774	0.1
104.87540	0.1
105.03371	100.0
105.04379	5.8
105.06985	2.3
106.03696	13.6
106.04847	0.6
106.06606	0.3
106.07253	0.3
106.58270	0.1
107.04928	0.8
107.07309	0.9
107.08538	0.1
108.04463	0.3
108.05202	0.1
108.08099	3.3
109.02840	0.2
109.05252	0.2
109.06496	1.1
109.08372	0.5
110.06033	0.5
110.06792	0.1
111.04413	0.7
111.06804	0.2
111.08055	1.7
112.04733	0.1
112.07572	0.3
112.08401	0.2
113.05956	0.1
114.09151	0.1
115.03916	0.5
115.05424	1.4
115.07580	0.1
116.05732	0.2
117.05756	0.4
117.06985	1.5
118.04150	0.2
118.06524	0.6
118.07355	0.2
119.04926	1.1
119.07356	0.1
119.08508	0.4
120.05278	0.2
120.08085	1.4
120.08935	0.1
121.02843	0.4
121.06487	1.0
121.08952	0.4
122.06021	0.4
122.06799	0.1
122.09694	0.4
123.04420	0.6
123.06803	0.1
123.08072	0.2
124.04674	0.1
124.07568	1.7
125.05948	0.3
125.07916	0.2
126.09129	1.0
127.03912	0.2
127.05455	0.1
127.09440	0.1
128.06189	1.3
128.07135	0.1
129.06999	2.6
130.06488	0.2
130.07275	0.4
131.04884	0.9
131.07291	0.8
131.08542	0.5
132.05611	0.1
132.08067	1.7
132.08978	0.1
133.02818	1.1
133.06456	1.1
133.08759	0.3
133.09827	0.1
133.10214	0.1
134.03142	0.1
134.05959	0.2
134.06801	0.1
134.09653	0.6
135.04399	0.8
135.06584	0.1
135.06960	0.1
135.08009	1.0
135.10184	0.1
136.04733	0.1
136.07547	0.6
136.08348	0.1
137.02303	0.1
137.05956	1.0
137.08263	0.3
137.13153	0.1
138.03114	0.1
138.06320	0.1
138.09109	3.0
139.03870	4.4
139.07539	0.1
139.09381	0.4
140.10689	0.7
141.05782	0.1
141.06944	1.3
141.08017	0.1
141.09096	0.3
141.11014	0.1
142.07477	0.3
143.04909	0.2
143.07292	0.2
143.08542	0.5
144.05682	0.6
144.08034	2.4
145.04988	0.2
145.06450	1.5
145.08771	0.8
145.10063	0.1
146.03600	0.3
146.05905	0.4
146.06944	0.2
146.09616	2.7
147.04376	1.6
147.06767	0.2
147.08025	0.7
147.09879	0.6
148.04794	0.2
148.07529	1.2
148.11147	0.1
149.02370	0.1
149.05943	1.4
149.07909	0.1
149.09500	0.1
149.13174	0.1
150.06320	0.2
150.09111	1.1
151.03903	0.1
151.07530	0.2
151.09770	0.3
152.06029	0.3
152.10648	0.2
153.01797	0.1
153.05472	0.4
153.06978	0.7
154.07526	0.3
155.04892	0.3
155.06052	0.2
155.07207	0.1
155.08499	0.8
156.05534	0.1
156.07866	0.1
156.08952	0.2
156.10063	0.1
157.04961	2.4
157.06465	0.9
157.08835	0.4
157.10028	0.1
158.07158	0.3
158.09599	0.8
159.04402	0.3
159.06744	0.1
159.08005	1.4
159.09982	0.3
160.07501	3.7
160.11125	0.4
161.02350	0.1
161.05974	0.8
161.07956	0.8
161.09576	0.2
161.11623	0.1
163.03896	0.2
163.06146	0.2
163.07526	0.6
163.09717	0.2
164.07031	0.2
164.10657	0.6
165.05461	0.5
165.07002	1.4
165.09143	0.2
165.11133	0.1
166.07574	0.7
166.12190	0.1
167.04880	0.1
167.07092	0.2
167.08508	1.4
168.05760	0.1
168.08003	0.2
168.09015	0.2
168.10207	0.2
169.06435	0.8
169.08780	0.4
169.10204	0.3
170.07027	0.3
170.09573	1.7
170.11812	0.1
171.04370	0.1
171.06631	0.1
171.08037	1.0
171.10263	0.5
172.07564	0.3
172.08743	0.2
172.11133	0.4
173.05963	0.2
173.08252	0.2
173.09612	0.3
173.11548	0.1
174.05411	0.4
174.09067	0.7
175.03848	0.1
175.06113	0.3
175.07570	0.4
175.09731	0.3
176.06995	0.9
176.10657	1.1
177.05461	0.7
177.07256	0.3
177.08987	0.4
177.11240	0.2
178.05945	0.1
178.07646	2.0
178.12204	0.5
179.08478	2.8
179.12578	0.1
180.08836	0.8
180.10429	0.3
181.04955	0.1
181.06500	0.8
181.08705	0.2
181.10114	0.6
182.07069	0.4
182.09404	0.5
183.04433	0.1
183.06532	0.1
183.08034	0.8
183.10210	0.3
183.11726	0.1
184.05095	0.1
184.07346	0.1
184.08693	0.2
184.11081	0.3
185.05962	0.6
185.08173	0.1
185.09631	0.3
185.11789	0.1
186.06564	0.1
186.09021	1.0
187.03961	0.1
187.07727	0.4
187.09502	0.4
188.06921	0.6
188.10652	0.8
189.05312	0.1
189.07225	0.5
189.07512	0.4
189.09195	0.1
189.11168	0.3
190.07593	1.1
190.12212	0.2
191.06889	0.1
191.08472	1.8
191.12505	0.1
192.08989	0.8
193.04965	0.1
193.06435	0.3
193.10078	1.9
194.07198	0.5
194.10539	0.5
195.08023	1.3
195.10211	0.2
195.11765	0.2
196.08798	0.5
196.11053	0.4
197.06027	0.4
197.07895	0.1
197.09706	0.7
197.11508	0.1
198.06509	0.2
198.08878	0.6
198.12715	0.1
199.05954	0.4
199.07549	0.5
199.09642	0.2
199.11340	0.1
199.13161	0.1
200.08131	0.1
200.08833	0.1
200.10689	0.6
201.09056	0.2
201.11198	0.3
202.07607	0.9
202.12183	0.6
203.08504	2.2
203.12503	0.1
204.09019	0.6
204.10352	0.4
204.13536	0.1
205.06529	0.4
205.10109	2.1
206.07216	0.6
206.10208	0.5
206.11867	0.2
207.08018	2.9
207.10040	0.1
207.11876	0.4
208.08537	1.2
208.11263	0.4
209.05923	0.3
209.09619	1.4
209.11665	0.2
210.06609	0.3
210.09854	0.3
210.12654	0.1
210.14836	0.1
211.07628	0.7
211.09538	0.2
211.11137	0.3
211.12961	0.1
212.07938	0.2
212.10727	0.5
213.05502	0.1
213.09094	0.4
213.11194	0.2
214.05884	0.1
214.08656	0.2
214.12140	0.3
215.06789	0.1
215.08662	0.6
215.10555	0.1
215.12709	0.1
216.09073	0.2
216.10410	0.1
217.06976	0.5
217.10220	0.3
218.07266	0.6
218.09630	0.2
218.11771	0.2
219.08034	1.4
219.10237	0.2
219.12045	0.1
220.08705	0.9
220.11185	0.4
220.13000	0.6
221.05949	0.2
221.09583	2.3
221.11697	0.2
221.13693	0.1
222.06607	0.2
222.09958	0.8
222.12718	0.2
223.07559	0.9
223.11287	0.6
223.13248	0.1
224.08101	0.5
224.10738	0.7
225.05524	0.1
225.09039	0.8
225.11247	0.3
226.09334	0.3
226.12247	0.4
227.06958	0.1
227.10712	0.1
227.12744	0.2
228.10236	0.2
228.13676	0.1
229.08565	0.1
229.10625	0.1
230.07404	0.1
230.09630	0.1
230.11742	0.3
231.08022	1.2
231.10367	0.2
232.08542	0.7
232.11159	0.5
232.13313	0.1
233.06020	0.1
233.09560	1.7
233.11613	0.2
234.06868	0.4
234.09964	0.6
234.12761	0.3
235.07509	2.4
235.11279	0.9
235.13301	0.1
236.07990	0.9
236.10883	0.5
237.09117	1.2
237.11292	0.2
237.13036	0.1
238.09525	0.6
238.12276	0.4
238.14401	0.3
239.06975	0.2
239.10669	0.9
239.12787	0.2
239.14706	0.1
240.07913	0.1
240.10699	0.4
240.13635	0.1
241.08594	0.2
241.10641	0.1
242.09406	0.1
242.11894	0.2
243.08102	0.1
243.10133	0.1
243.12216	0.1
244.11066	0.1
244.13345	0.2
245.09528	0.3
245.11766	0.1
246.06770	0.1
246.09146	0.1
246.12689	0.3
246.14903	0.1
247.07538	0.5
247.09639	0.1
247.11214	0.1
247.13251	0.1
248.08195	0.7
248.10748	0.7
249.09021	2.3
249.11304	0.4
250.09540	1.1
250.12279	0.9
251.07001	0.4
251.10573	0.7
251.12781	0.3
252.07704	0.5
252.10527	0.5
252.13747	0.2
253.08444	0.8
253.10709	0.1
253.12202	0.2
253.14415	0.1
254.08968	0.4
254.11879	0.4
255.10132	0.2
255.12326	0.2
256.10870	0.1
256.13263	0.3
257.11554	0.1
257.13809	0.1
259.07501	0.3
259.09836	0.2
260.08115	0.3
260.10690	0.4
261.09055	0.7
261.11441	0.2
262.09393	0.4
262.12210	0.5
263.06967	0.2
263.10602	1.3
263.12891	0.1
264.07553	0.2
264.10831	0.7
264.13818	0.4
265.08292	0.3
265.11978	0.3
265.14594	0.1
266.09048	0.2
266.11890	0.5
266.15027	0.1
267.06668	0.1
267.09973	1.6
267.12378	0.2
268.10449	0.7
268.13345	0.4
269.11554	0.1
269.14017	0.1
270.11462	0.2
270.14804	0.2
271.24338	0.1
273.11334	0.1
274.09616	0.1
274.12109	0.5
275.10199	0.1
275.12857	0.2
276.07602	0.1
276.10431	0.2
276.13910	0.2
277.08536	0.9
277.11072	0.2
278.08890	0.5
278.11786	0.9
278.15009	0.1
279.10031	0.4
279.12717	0.4
280.10208	0.3
280.13348	0.4
281.11420	0.5
281.14273	0.1
282.11755	0.4
282.14938	0.4
283.09338	0.1
283.15274	0.2
284.10086	0.1
284.12933	0.2
285.10995	0.1
286.14517	0.1
287.05417	1.4
289.08356	0.1
289.25092	0.1
290.11725	0.3
291.09674	0.4
291.12750	0.1
292.10239	0.2
292.13321	0.7
293.11115	0.1
293.13724	0.2
294.11478	0.4
294.14874	0.2
295.09497	0.1
295.12567	0.1
296.12952	0.4
296.16443	0.2
297.13223	0.2
298.11154	0.1
298.14407	0.4
299.14960	0.1
300.12656	0.1
300.15842	0.1
302.11282	0.3
303.12143	0.2
304.09473	0.1
304.13144	0.1
306.11218	0.2
306.14828	0.2
307.11740	0.1
307.15231	0.1
308.09647	0.1
308.12820	0.4
309.11194	0.4
310.11282	0.2
310.14429	0.6
311.14850	0.2
312.12726	0.1
312.15952	0.2
314.17377	0.1
318.11169	0.1
320.12802	0.5
321.13284	0.3
322.14465	0.1
323.12506	0.2
324.12546	0.2
324.15967	0.6
325.13037	0.1
325.16266	0.4
326.13882	0.2
328.15509	0.2
328.18906	0.1
329.15845	0.1
330.17166	0.1
334.14490	0.1
335.14850	0.1
336.12354	0.1
338.14069	0.3
338.17316	0.1
339.14172	0.1
340.15536	0.1
341.14063	0.2
342.13263	0.0
342.16998	1.0
343.17340	0.5
352.15308	0.9
353.15829	0.5
356.14627	0.1
356.18515	0.9
357.18903	0.5
358.16547	0.1
360.17749	0.1
360.21844	0.1
366.17227	0.2
370.16415	5.2
371.16760	2.8
374.19781	0.5
375.19922	0.2
384.17969	0.6
385.18277	0.4
388.16235	0.1
388.20853	0.4
389.21634	0.2
398.19568	0.1
401.14700	0.1
402.19144	0.3
403.19321	0.2
406.21988	0.5
407.22702	0.3
414.17453	0.1
416.20526	0.5
417.20981	0.3
418.16409	0.1
419.16989	0.1
420.18039	0.2
421.18256	0.1
431.15674	0.1
433.18158	0.1
434.21609	0.3
435.21750	0.1
442.16785	0.1
445.16763	0.1
446.19315	0.2
447.19971	0.1
448.17569	0.1
449.17731	0.1
449.23508	0.1
450.18964	0.1
451.19644	0.1
452.21170	0.1
453.20471	0.1
460.16919	0.1
461.17484	0.1
462.19019	0.1
464.20734	0.2
465.21021	0.2
474.18845	0.3
475.19336	0.4
476.17850	0.1
478.22290	1.1
479.22501	1.1
480.20261	0.2
481.20306	0.3
482.21857	0.1
483.22067	0.2
488.20596	0.2
489.21170	0.2
492.20264	0.3
493.20016	0.4
495.22424	0.1
496.23102	0.7
497.23706	0.5
506.21637	1.3
507.22052	1.5
510.25079	0.3
511.24759	0.4
512.94037	0.1
513.22656	0.1
524.22754	1.0
525.23035	0.9
528.25854	1.7
529.26129	1.6
538.24139	1.6
538.31677	0.1
539.24573	1.7
556.25287	1.8
557.25665	1.8
566.23846	0.1
567.24023	0.2
570.27209	0.4
571.27008	0.4
585.25146	0.1
588.27875	7.8
589.28210	6.8
590.28210	0.1
598.26306	0.8
599.26685	0.9
616.27509	0.5
617.27759	0.4
630.28741	0.2
648.29956	55.4
649.30261	68.6
650.30548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
56.05027	0.2
57.39516	0.2
57.59112	0.2
58.06570	0.9
65.03931	3.9
67.05483	0.3
68.99770	0.3
69.26167	0.3
69.26577	0.8
70.06573	0.8
71.04974	0.3
72.04493	0.2
74.06064	0.5
75.04459	0.6
79.05467	0.5
81.03384	0.3
82.06550	0.5
84.04475	0.3
85.02884	0.6
87.04421	0.4
88.07607	0.3
91.05461	1.0
93.03392	0.3
93.07030	0.3
94.06554	1.8
95.04940	0.6
96.08101	0.8
97.06503	0.2
98.06043	0.5
98.23451	0.4
103.05450	0.4
105.03380	0.8
105.07002	0.8
107.04941	0.5
107.07322	0.3
108.08084	1.4
109.06505	0.3
110.06042	0.2
111.04420	3.3
112.07590	0.3
114.87415	0.2
115.05458	0.8
117.05735	0.3
117.07004	0.8
119.04909	0.7
119.08568	0.2
120.08067	0.5
121.02846	91.0
121.03862	3.7
121.08861	0.4
122.03163	1.5
122.06078	0.2
123.04417	0.3
124.07571	0.5
126.09132	0.4
128.06219	0.6
129.06990	1.7
131.04848	0.2
131.07303	0.4
132.08034	1.1
133.02853	0.5
133.06480	0.3
134.09589	0.5
135.07986	0.3
136.07558	0.4
137.02319	0.7
137.05991	0.5
138.09096	1.3
141.06946	0.8
143.08540	0.4
144.05678	0.3
144.08054	1.2
145.06470	0.9
145.08841	0.4
146.09619	1.4
147.04358	1.1
147.07959	0.4
148.07558	0.5
149.05942	0.7
149.08368	0.3
150.09105	0.6
153.05515	0.5
153.06963	0.4
155.08556	0.6
157.06479	0.5
157.08904	0.4
158.09674	0.4
159.08055	0.5
160.07550	2.0
160.11148	0.2
161.05927	0.4
162.09123	0.6
163.03917	0.3
164.07066	0.4
164.10699	0.5
165.05687	0.3
165.06891	1.0
166.07710	0.3
167.08522	0.8
169.06514	0.6
169.08861	0.3
170.09639	0.9
171.07993	0.6
171.10402	0.4
172.11159	0.3
174.09099	0.3
175.03928	0.4
176.07124	0.4
176.10751	0.4
177.05460	0.4
177.09178	0.2
178.07764	0.9
179.08510	1.3
181.06422	0.5
181.10147	0.5
183.08028	0.5
185.05959	0.5
186.09076	0.8
187.07547	0.2
188.07002	0.4
188.10648	0.9
190.07722	0.4
191.08551	0.9
193.10141	0.6
195.07994	0.9
196.11292	0.2
197.05960	0.2
197.09686	0.5
198.09166	0.5
199.07532	0.5
199.97731	0.2
200.10742	0.5
202.07788	0.3
203.08519	1.1
204.09254	0.2
205.06506	0.3
205.10081	1.0
207.06413	0.5
207.08089	1.4
208.08820	0.2
208.11221	0.4
209.09671	0.7
211.07426	0.5
212.10762	0.4
213.09169	0.2
215.08612	0.4
218.07230	0.3
219.08058	0.8
219.09984	0.2
220.08911	0.3
220.13380	0.5
221.09624	1.1
222.11168	0.7
223.07581	0.5
223.11246	0.4
224.10738	0.5
225.09029	0.7
231.07988	0.7
232.08754	0.2
232.11142	0.3
233.09567	0.7
235.07503	0.9
235.11263	0.3
236.08394	0.3
236.10678	0.4
237.09308	0.9
237.11189	0.2
238.12218	0.4
239.10674	0.5
240.10480	0.3
242.11658	0.5
247.07339	0.3
248.08392	0.2
248.10793	0.3
249.09138	1.3
249.11510	0.3
250.12195	0.5
251.10638	0.6
252.10152	0.3
252.13734	0.3
253.08589	0.7
254.11710	0.4
255.10019	0.3
256.13257	0.5
260.10809	0.3
261.09106	0.5
262.12238	0.6
263.10516	0.4
264.13882	0.3
266.11761	0.5
267.10117	1.0
268.13434	0.5
274.12021	0.2
277.08600	0.5
278.11774	0.7
279.10159	0.5
280.13574	0.5
281.11609	0.2
282.15005	0.2
291.09875	0.2
292.13092	0.3
296.12781	0.5
297.11224	0.3
298.14301	0.6
308.12878	0.4
309.11249	0.3
310.14429	0.4
320.12778	0.4
324.15973	0.6
326.13770	0.3
328.15530	0.5
338.13940	0.3
342.16965	1.1
346.16452	0.3
352.15561	0.7
356.18631	0.7
358.16626	0.3
360.17874	0.2
366.17062	0.2
370.16431	3.3
374.19629	0.7
384.17963	1.0
388.17413	1.0
402.19025	1.5
416.20618	0.5
420.20032	0.7
434.21500	1.0
436.17868	0.4
452.22617	1.2
468.19833	0.3
490.18723	0.3
494.21811	0.9
496.19717	0.3
498.21219	0.3
508.19678	0.4
512.22601	0.7
522.21204	1.8
530.23853	0.9
540.22021	1.2
542.20221	0.3
554.23779	1.8
558.23169	0.3
572.24750	2.1
590.25824	7.7
591.26282	0.7
614.26031	1.1
618.23907	0.8
632.26880	1.1
650.27917	100.0
651.28259	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	650.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
51.86167	0.4
51.99862	0.4
53.00265	0.4
53.03926	1.4
55.01862	0.4
55.05495	1.1
57.03415	1.1
58.06593	7.9
60.04509	0.4
67.05150	0.6
67.05492	6.9
69.07054	0.7
70.06570	0.6
71.04975	0.6
71.44427	0.4
74.06063	1.1
77.03896	1.1
79.05476	2.2
81.03406	1.3
81.07039	2.6
82.06551	0.5
83.08605	1.3
85.02868	0.5
85.06503	0.5
87.23053	0.4
91.05462	2.8
93.07032	2.4
94.06554	0.8
95.04953	8.6
95.08586	1.1
96.05258	0.5
96.08112	0.6
97.02866	0.6
97.06518	0.5
99.00800	0.9
100.03954	0.5
105.03377	46.6
105.04399	3.4
105.07019	2.7
106.03708	1.4
106.95966	0.4
107.04956	0.6
107.08597	0.8
108.08085	0.9
109.02892	0.6
109.10138	5.3
110.06023	2.0
111.08050	0.7
117.06998	1.0
119.04907	0.6
119.08586	1.8
121.06480	1.3
121.10036	0.5
122.09682	0.5
124.07581	0.7
129.07004	0.9
131.08568	1.4
132.08037	0.5
133.06413	0.6
133.10130	2.5
137.09634	0.7
141.06927	0.8
143.08540	1.0
144.08015	0.6
145.06436	0.6
146.09619	1.4
147.06824	0.4
147.08052	0.6
148.07579	1.1
151.11136	0.8
155.08536	1.7
157.08833	1.3
158.09584	2.5
160.11226	0.6
161.09601	1.7
162.09096	0.8
165.06845	0.6
167.08545	0.8
169.10069	1.0
171.08063	1.1
172.11136	0.5
173.11707	1.6
174.09094	4.0
176.10635	1.1
177.05464	0.4
178.07753	1.2
179.08528	1.6
181.10103	1.3
186.09053	0.5
188.10612	0.4
191.08525	0.8
192.09210	1.8
193.10098	2.8
194.10889	0.4
195.08098	0.6
195.11679	1.1
197.09698	0.6
200.10703	0.7
202.07677	0.5
203.08519	0.6
204.09277	0.9
205.10178	1.1
206.10910	0.7
207.11681	2.2
209.09624	0.5
209.13281	0.8
217.10049	0.9
218.10912	1.2
219.08167	0.6
219.11700	2.3
220.12456	0.4
221.09607	0.4
221.13332	1.9
223.11221	0.4
229.14285	7.4
231.11626	0.7
233.13232	1.6
235.07414	0.6
235.14793	0.6
243.11757	0.7
248.14224	0.5
249.12694	1.1
253.08539	0.9
261.12790	0.7
262.15952	0.5
264.17456	0.9
274.15948	0.9
281.08075	0.9
282.18512	0.6
290.15341	1.1
292.16977	3.2
292.23938	0.5
296.10486	1.4
299.14847	6.0
302.45206	0.5
310.17966	2.4
316.29236	0.4
320.16461	2.1
326.17416	1.2
328.18918	0.5
338.17438	2.7
341.16043	1.1
342.16754	0.5
352.18985	1.6
356.18420	3.2
370.03192	0.4
380.18542	0.9
398.19598	3.1
416.20493	0.6
421.25928	0.5
453.24744	7.6
458.21555	1.5
460.20792	0.5
502.22449	0.7
520.22845	1.0
528.25513	1.2
562.23914	2.3
580.25372	5.4
590.27863	0.8
615.03546	0.4
649.31445	0.7
650.29364	100.0
651.29779	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	650.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.2
55.05506	34.9
57.03415	10.1
58.79339	3.1
65.03920	3.6
67.05493	55.4
68.85734	3.2
69.07068	17.4
69.28489	21.2
79.05485	64.9
81.03407	11.1
81.07042	81.6
83.04977	9.5
83.08629	19.8
83.09039	3.3
86.25681	4.1
91.05461	30.2
93.07036	55.9
95.04954	16.9
95.08600	31.4
97.06521	7.7
97.10163	19.0
98.22738	5.9
99.04422	3.7
105.03381	4.7
105.06438	3.6
105.06999	22.2
107.04949	7.7
107.08577	23.8
107.99570	3.6
109.06516	8.6
109.10147	16.4
111.04383	10.4
111.08053	8.7
117.07007	8.9
119.08552	20.8
121.06493	8.4
121.10122	25.2
123.08062	25.3
125.09603	18.6
129.07016	7.0
131.08545	14.1
133.10109	10.7
135.08009	7.8
135.11684	11.9
137.09610	7.1
139.11157	5.1
143.08571	5.9
145.06598	3.8
145.10071	17.2
147.08049	5.8
147.11639	5.9
149.09583	10.4
152.82629	4.4
153.12711	4.6
157.10127	5.1
159.11668	10.2
161.09715	5.1
163.11194	13.4
165.09087	6.1
173.09492	4.0
181.12144	8.0
189.11214	13.9
193.12158	5.3
203.14401	3.8
205.98523	3.6
215.18010	5.3
223.13231	6.8
227.12733	17.1
233.18958	4.7
244.64828	3.7
273.18478	17.1
291.19492	51.0
307.22614	100.0
309.20367	4.7
357.65726	4.2
365.23306	20.9
383.24109	13.0
414.80334	4.2
431.99796	4.6
466.63431	4.5
597.41180	16.9
615.42236	24.6
651.38177	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	4.1
53.03942	2.4
58.06577	6.3
66.43785	1.4
67.05489	3.8
68.01377	5.0
68.99763	2.7
69.03427	2.0
69.07062	1.9
70.06585	2.3
71.43697	1.7
78.53098	1.4
79.05476	3.6
81.03402	19.6
81.07039	1.5
85.02908	2.8
93.07035	3.1
95.04945	5.4
95.08608	3.7
96.02084	2.4
97.02855	2.0
97.06552	2.3
105.03381	24.5
105.04468	1.7
105.07005	2.1
106.03717	10.3
109.02879	5.3
110.02374	2.9
110.06028	2.2
111.08060	2.7
117.06989	1.5
119.08582	2.1
121.02871	9.0
121.10098	1.9
121.26080	1.6
127.03888	7.2
133.10126	2.2
137.02324	100.0
138.01822	9.7
151.02647	3.5
166.01329	7.7
166.04982	60.3
168.02893	5.3
169.03683	15.6
182.04489	16.0
183.05228	2.6
183.11626	2.2
184.02394	90.4
185.02612	1.9
192.02896	7.0
195.01593	2.3
198.03925	16.4
202.05031	2.6
223.11223	1.5
223.34219	1.5
230.04527	5.9
253.29231	1.7
256.02411	5.3
258.04013	5.7
271.04797	1.7
274.03387	4.5
276.05051	25.2
286.03442	9.0
286.07059	30.2
290.06470	17.7
291.03677	20.1
300.04807	2.6
302.03058	8.8
302.06277	1.9
305.05261	18.2
318.06039	28.1
346.05588	2.0
349.08130	2.0
371.17014	2.2
372.16931	2.6
394.05316	2.4
405.07095	5.3
408.05606	1.9
422.04980	15.0
451.07709	49.9
454.07483	5.1
469.08765	40.7
470.09171	2.1
470.57538	1.8
483.10275	99.7
484.10513	4.2
515.12787	6.1
587.09302	33.2
588.09363	3.0
590.28381	6.6
591.28888	2.3
650.30652	54.7
650.41296	2.0
651.30383	28.8
673.00616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.03998	0.2
55.05506	0.3
57.03428	3.1
58.06587	0.4
61.02913	1.0
63.47907	0.2
67.05476	0.6
67.32451	0.2
68.99768	0.7
69.03422	8.7
69.07070	0.3
70.06573	0.3
70.71902	0.2
71.01328	0.4
73.02534	0.4
73.02906	5.2
79.05484	0.5
81.03414	0.3
81.07036	0.7
85.02892	2.2
86.09652	0.3
87.04458	0.4
91.05452	0.6
93.03375	0.4
93.07041	0.5
95.04942	0.5
95.08591	0.8
97.02879	27.0
98.03263	0.2
100.11250	0.2
105.03374	0.9
105.07021	0.3
106.03706	0.4
107.04948	0.3
107.08583	0.4
109.02855	0.4
109.10160	0.3
111.00780	0.8
111.04427	0.3
115.03914	11.5
119.04914	0.2
119.08482	0.5
121.02872	1.5
121.06475	0.3
121.10127	0.3
127.03873	0.7
128.07132	0.3
137.02304	2.4
137.05966	0.5
139.03877	5.9
145.02820	0.4
145.10075	0.4
147.04364	0.8
149.02309	0.4
153.01804	3.3
157.04942	8.2
161.05914	0.4
163.03880	0.6
165.01839	1.9
173.05972	0.5
175.05994	2.8
177.05470	1.0
183.02861	0.8
187.03841	0.4
195.02962	0.3
199.06042	0.6
201.05443	1.6
213.05696	0.3
217.07040	4.8
219.06407	0.3
229.04916	4.1
239.03433	0.2
247.05919	0.5
257.04391	2.5
274.04645	0.7
275.05707	0.2
285.03873	1.4
287.05588	0.3
294.12448	0.3
299.05734	0.2
303.04932	100.0
304.05264	2.4
325.14255	0.4
330.60721	0.2
477.10193	3.7
519.11108	1.0
583.05701	0.3
614.37982	0.4
650.30383	2.2
651.30560	2.0
651.47467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05490	1.1
56.05017	0.6
58.06603	3.7
61.19478	0.5
62.22493	0.6
65.03938	0.8
67.05501	4.2
69.07069	0.7
71.04985	0.9
75.85966	0.6
79.05496	2.8
80.05006	0.5
81.03418	0.7
81.07047	3.3
85.02911	1.3
87.04473	1.3
88.07619	0.6
91.05468	2.8
93.06492	0.6
93.07048	1.8
94.04172	0.6
94.06580	1.3
95.04961	7.4
95.08579	0.9
97.02913	0.7
103.05460	1.3
105.03376	2.2
105.04485	0.6
105.07056	2.1
106.48399	0.5
107.08636	0.9
108.04474	1.2
108.08186	0.5
109.06515	7.7
109.10163	1.9
112.07617	0.7
117.06998	1.2
119.08598	0.9
121.06478	3.1
122.06017	16.4
122.09653	0.9
128.06247	0.6
129.07014	2.8
131.08575	1.3
133.10117	0.8
135.08038	3.3
136.07536	3.8
138.09129	1.1
140.07080	1.7
141.07007	0.8
143.08556	0.7
145.06451	1.1
147.08070	0.9
149.09615	0.7
151.09911	0.7
153.06973	1.3
155.08598	1.6
158.09627	1.2
159.08028	0.9
161.09599	0.8
165.07002	1.5
167.08577	1.3
168.10197	5.7
178.07809	1.2
179.08551	1.3
180.10185	1.9
181.06403	0.7
181.10086	1.0
182.08160	3.3
183.08025	1.3
184.11205	0.7
185.09566	1.0
190.12206	0.6
191.08606	1.0
193.10126	0.9
196.11148	0.7
197.09642	1.4
202.07721	0.6
203.08488	1.6
204.09338	1.1
205.10162	1.8
209.09741	1.2
210.11221	43.8
211.11493	1.3
215.08617	1.4
216.09398	2.2
217.10213	0.7
219.07945	0.8
219.11658	0.7
219.90094	0.5
221.13356	0.7
223.11020	0.7
229.14290	1.2
231.11781	3.0
235.11307	0.8
241.12303	0.7
248.14362	0.7
249.12675	1.6
260.14429	0.6
263.14294	0.9
283.15372	1.1
286.15976	0.7
291.19547	1.9
292.17059	1.0
304.16864	0.6
305.24750	1.0
308.08951	0.8
308.16571	0.8
323.25858	1.4
336.19070	0.7
338.17300	0.7
352.19058	1.3
354.13458	1.0
378.21042	0.9
396.21622	1.6
412.21085	1.0
428.24359	1.9
437.25693	1.5
455.26013	1.0
470.25369	17.6
470.31656	1.1
471.25510	0.8
530.27423	69.1
531.27826	4.1
652.31006	100.0
653.31146	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	653.1704
Annotation	Ricinitin
Peak:m/z	Relative Intensity
53.03740	0.1
53.03943	1.9
55.01868	0.3
56.22606	0.1
57.03421	0.5
61.02911	0.6
65.14487	0.1
68.99789	0.3
69.03422	6.0
69.42908	0.6
69.43274	0.3
70.03729	0.1
71.01342	0.2
71.04967	0.6
73.02895	0.6
81.03407	7.5
83.01290	0.1
85.02895	3.9
97.02885	4.0
97.03862	0.2
99.04449	1.2
103.03953	0.2
105.03382	0.3
107.04932	0.3
109.02865	5.5
111.00754	0.4
113.81363	0.1
115.03912	0.2
121.02851	2.0
121.03825	0.2
127.03902	5.0
130.26732	0.1
133.02838	0.4
133.04938	0.2
137.02313	0.5
145.04984	0.9
145.06013	0.2
147.04366	0.5
153.01804	2.8
165.01810	1.5
169.41234	0.2
171.04425	0.2
183.02859	0.5
185.05928	0.4
187.05984	4.6
189.05350	0.2
205.07050	0.5
213.05377	0.9
231.06458	0.6
241.04898	0.7
258.05109	0.8
259.06021	0.2
269.04279	0.2
287.05453	100.0
288.05792	3.6
311.05463	0.1
313.28415	0.2
324.33096	0.1
329.06491	0.5
395.07809	0.2
405.22440	0.2
449.10733	8.4
450.10880	0.5
625.01910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1703
Annotation	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03953	1.7
53.19622	0.3
54.30145	0.3
55.01857	0.8
57.03434	0.8
61.02916	1.9
63.11060	0.3
68.99773	0.6
69.03419	12.1
69.14312	1.9
71.04970	2.1
73.02892	0.7
81.03408	5.9
83.01328	1.0
85.02399	0.6
85.02896	11.6
97.02883	19.7
99.04451	4.3
102.48479	0.3
109.02866	16.7
111.00752	0.7
115.03966	0.5
121.02846	1.3
127.03898	11.8
137.02357	2.6
139.03886	1.1
143.40526	0.4
145.04935	11.2
149.02396	0.5
153.01840	3.2
157.46056	0.3
161.05965	0.4
163.03899	0.7
165.00655	0.4
165.01807	2.4
169.04909	2.1
183.02884	0.8
187.06010	2.2
201.05460	1.4
205.07034	3.7
229.04910	4.0
247.06052	0.7
254.00443	0.3
257.04474	2.4
274.04584	0.4
285.03940	1.0
287.05466	7.9
288.05728	0.4
303.04941	100.0
304.05225	3.6
381.05716	0.4
449.10739	4.5
493.46152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1702
Annotation	Quercetin 3-(6'''-acetylglucosyl)(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.03929	4.8
55.01849	1.6
57.03421	1.5
58.20196	1.0
61.02916	3.5
68.99790	1.1
69.03420	48.5
69.65511	1.6
69.65875	1.8
71.04980	3.3
73.02920	1.2
81.02952	1.6
81.03407	20.6
83.01317	3.0
85.02895	39.8
97.02881	38.0
98.22675	1.6
99.04433	14.7
107.01326	1.0
109.02865	100.0
110.03188	1.4
114.25526	0.9
121.02829	1.4
122.16833	0.8
127.03896	60.4
128.04218	1.0
137.02304	1.6
139.03886	5.7
145.04930	15.5
153.01772	6.0
163.03798	0.9
165.01854	3.3
169.04948	13.0
187.06004	20.6
193.21878	0.8
205.07039	22.0
213.05391	1.1
229.04932	2.5
237.16766	0.9
257.04410	2.1
285.04001	1.3
287.05453	89.6
288.05740	3.6
303.04941	88.3
304.05258	2.9
449.10675	10.4
582.81647	0.9
606.98224	1.2
618.75861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1704
Annotation	Ricinitin
Peak:m/z	Relative Intensity
50.09880	0.1
53.03942	1.5
54.81459	0.1
55.01851	0.3
57.00602	0.1
57.03431	0.7
58.25207	0.1
59.04984	0.2
61.02923	1.4
67.01859	0.2
68.99777	0.4
69.03422	5.4
69.33069	0.8
71.04984	1.3
73.02895	0.5
81.02955	0.2
81.03410	3.5
83.01329	0.3
85.02893	5.9
87.04440	0.3
97.02884	14.1
99.04451	1.9
105.03367	0.3
107.04931	0.3
109.02881	2.3
111.00803	0.6
115.03895	0.2
121.02853	2.2
121.03728	0.1
122.03255	0.2
127.03897	3.3
133.02834	0.5
137.02341	0.7
145.04947	7.0
147.04370	0.5
153.01811	3.3
153.03046	0.2
157.06488	0.3
165.01831	1.7
171.04369	0.1
183.02904	0.7
185.05925	0.4
187.06007	0.2
205.06998	0.4
213.05406	1.1
231.06485	0.6
241.04886	0.9
258.05157	0.9
259.06021	0.4
266.61404	0.2
269.04474	0.2
287.05460	100.0
288.05801	3.5
303.05038	0.6
365.06375	0.5
385.50006	0.2
449.10764	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1704
Annotation	Ricinitin
Peak:m/z	Relative Intensity
53.03939	3.7
53.33738	0.7
57.03420	2.7
58.06599	1.5
61.02921	3.9
69.03420	25.0
69.28436	1.1
69.28827	2.2
71.01328	0.7
71.04976	2.8
73.02908	1.0
81.03406	16.2
83.01331	3.0
85.02892	97.1
97.02878	100.0
98.03230	1.3
99.04438	13.1
109.02861	76.0
110.03149	0.9
115.03925	1.2
121.02847	3.3
127.03896	51.7
139.03894	5.7
140.75832	0.7
145.04945	13.3
149.39737	0.8
152.28348	0.8
153.01828	3.3
165.01837	1.4
169.04933	9.3
182.71141	0.7
183.02824	0.8
187.04314	1.5
187.05977	24.6
205.07050	28.5
205.09026	1.3
213.05426	1.3
241.04973	0.9
258.05148	1.1
287.05450	94.9
288.05838	3.1
343.58725	0.8
447.17484	1.0
449.10837	4.1
629.93622	0.7
639.54761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1703
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03915	1.7
55.01870	1.7
56.60393	1.1
57.03422	1.4
61.02905	4.3
69.03415	8.9
69.07050	1.5
69.31087	2.1
69.31477	2.6
71.00758	0.9
71.04971	1.7
73.02896	1.5
81.03409	9.2
81.07014	1.1
85.02887	100.0
93.06987	1.7
97.02871	68.4
99.04436	7.0
105.07002	1.5
108.96011	1.3
109.02856	27.3
115.03889	1.2
121.02856	1.2
123.14608	0.9
127.03890	30.4
142.06129	1.2
145.04910	9.4
145.10080	1.6
153.01743	2.3
165.01895	1.1
169.04916	5.5
187.05984	30.7
187.11169	1.6
205.07036	53.0
205.12248	2.0
233.11661	2.3
259.90219	1.0
287.05438	42.1
288.05725	1.7
329.06586	1.3
422.97519	1.1
676.03894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37688	0.4
67.05433	0.6
67.27550	0.5
67.59138	0.5
69.64508	1.8
79.05408	0.8
81.03379	0.8
81.06984	0.8
87.60049	0.5
91.05421	0.5
95.04929	0.7
98.22742	1.0
100.55791	0.5
103.05408	0.5
130.06390	0.6
137.02258	1.7
141.58240	0.5
146.02257	0.7
147.04349	0.9
156.04411	5.8
158.05920	1.0
162.40901	0.6
166.13724	0.5
168.04448	2.4
172.03856	1.5
175.03806	0.9
184.03889	6.8
186.05481	6.6
187.03819	2.2
188.03329	1.2
196.03937	0.8
212.03421	4.2
214.04980	4.8
230.04393	1.1
235.06180	0.9
237.08018	0.5
240.00558	0.8
240.02885	9.6
242.04387	2.9
248.06924	0.6
249.07782	2.0
250.08501	1.1
254.13538	0.5
258.03937	3.3
262.08569	1.0
263.05502	0.8
264.06503	1.8
264.29898	0.5
265.07285	1.4
266.08023	1.0
268.02359	7.0
275.05759	0.6
275.41238	0.6
276.06479	2.5
277.07327	1.9
278.08047	2.8
279.08649	0.6
280.09439	0.9
286.03424	4.0
290.08032	3.1
291.05237	0.9
291.08524	1.0
292.06006	2.8
292.09256	0.7
293.06754	5.1
294.07437	3.5
295.08362	2.3
296.09000	0.8
300.04922	2.3
304.06058	2.0
305.06647	1.1
305.10492	0.7
306.07550	60.1
307.07910	2.9
308.09097	15.5
309.09680	0.7
310.10620	4.8
320.09116	2.1
321.06244	1.2
322.07095	13.9
322.10730	1.9
323.07660	1.4
324.08499	7.2
336.08646	8.6
336.12369	0.8
337.09393	13.6
338.09961	3.1
338.13654	0.7
339.10956	4.4
350.10150	2.6
351.10834	4.7
352.11728	100.0
353.12119	4.2
354.13290	37.3
355.13797	0.8
411.09738	1.3
432.10709	0.9
447.10394	1.1
457.08075	0.7
457.13998	1.8
474.09503	0.8
475.09219	0.9
476.10880	0.6
477.11752	0.6
486.08905	0.6
487.09744	1.2
489.11938	5.7
491.13174	2.2
501.10852	1.2
502.11627	0.8
503.12567	3.6
505.11526	0.6
515.08826	1.4
517.10303	1.7
518.11426	1.6
519.11700	2.4
520.13837	2.0
529.10400	1.4
530.10901	2.2
531.11938	3.0
532.12488	0.8
533.13446	0.8
535.16296	1.9
545.09460	0.7
547.11273	3.2
548.11975	1.0
559.11346	2.2
561.12903	4.2
562.13660	1.0
575.14124	1.8
576.15149	4.3
577.16040	19.2
577.25110	1.1
578.15955	1.7
590.13293	1.1
592.14825	1.9
593.15430	14.0
594.15955	1.6
621.14923	40.1
622.15588	2.1
622.77222	0.6
635.16357	0.8
639.15967	1.2
653.17572	75.5
654.17798	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
67.05494	1.6
69.97562	2.6
70.63248	0.9
79.05499	1.6
81.07043	3.1
91.05489	1.5
92.02617	1.4
95.04933	1.4
109.10118	1.1
118.30105	1.0
124.69111	1.0
141.18546	1.0
166.05031	6.2
193.12242	1.0
235.06303	1.1
236.07098	1.3
248.07127	1.3
250.04955	1.3
264.06522	2.9
265.07358	2.4
273.18948	1.1
275.05829	1.5
275.80139	1.1
276.06674	2.2
277.07428	3.9
281.59494	1.1
290.08191	2.2
292.06036	5.4
293.06827	4.8
297.07785	1.2
298.08636	2.2
304.06009	2.6
305.06741	1.3
306.07516	7.4
307.08331	2.1
308.09109	7.3
310.08670	3.2
311.09314	2.1
312.10266	1.4
313.07028	1.6
314.08017	2.2
315.08990	1.3
320.05533	4.6
321.06259	2.7
323.09302	1.2
325.07422	2.9
326.08148	6.2
326.11218	1.9
327.08810	3.0
328.09753	2.5
336.08572	8.0
338.08151	4.1
339.08694	11.6
340.09683	3.9
341.06772	2.9
341.10413	1.6
342.07446	7.1
344.09186	1.2
352.09479	2.1
353.10504	3.6
354.07532	5.7
354.11407	3.4
355.08206	8.5
356.09158	5.9
357.10010	1.5
366.07745	4.7
367.08328	10.5
368.09125	5.4
369.09891	7.4
370.06836	10.2
380.09375	2.9
381.09775	6.5
382.06790	1.3
382.10770	13.0
383.07895	3.2
384.08566	11.6
384.12665	1.3
385.09158	9.1
386.09903	1.2
392.08994	1.6
395.07462	1.8
397.09363	19.5
398.06604	5.0
398.10791	2.3
399.10892	7.9
400.11734	8.1
407.11237	2.2
409.09015	1.7
410.10178	26.2
411.11090	2.3
412.07782	1.8
413.08716	2.0
424.11713	1.7
425.12570	46.9
426.13321	1.6
427.10654	1.2
428.11212	35.5
429.11646	2.3
440.10941	1.4
441.11761	3.5
443.09915	3.5
455.13651	5.9
456.10895	61.3
456.14606	14.2
457.11273	3.8
468.46799	1.1
474.11569	9.0
475.12338	1.3
594.10663	1.2
621.15039	4.9
639.59857	1.2
652.40356	2.1
653.17548	100.0
653.39838	3.5
654.18140	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	653.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
53.72815	1.5
55.01853	5.0
55.05500	10.2
57.03403	2.4
57.39201	1.5
65.03931	1.8
67.05495	14.9
69.03419	2.9
69.07059	6.4
79.05482	24.0
81.03403	5.0
81.06557	2.5
81.07043	46.6
83.04974	4.1
83.08585	4.3
83.53808	1.5
85.02859	2.2
91.05460	11.5
93.07032	10.5
95.04960	8.2
95.08585	7.7
97.06519	2.4
97.10151	5.8
98.23491	4.4
105.07009	12.4
107.04939	7.4
107.08575	6.8
109.02870	3.4
109.06500	17.0
109.10127	4.8
117.07005	6.6
119.08609	7.8
121.06484	3.3
121.10142	4.5
123.08076	2.8
125.09644	3.2
126.94980	1.6
128.06120	1.5
129.06947	2.5
131.08562	4.7
133.10098	5.7
135.08020	5.8
135.11711	2.3
137.09576	3.6
142.24135	1.7
143.08459	1.9
145.06444	4.2
145.10072	4.3
147.08003	4.6
155.08513	2.0
157.10158	2.5
159.08040	2.7
161.09547	4.2
163.07510	2.2
163.11200	3.7
169.10168	1.9
173.09616	3.2
173.13132	1.8
185.09706	1.8
189.11174	2.6
189.12766	2.3
191.10732	3.0
227.12694	3.1
243.17430	1.7
271.16910	3.2
273.18469	7.0
287.05612	2.2
289.17892	10.7
291.19464	7.3
311.09232	3.6
326.11719	3.0
339.08649	8.0
340.09680	3.2
347.22134	3.4
351.08484	1.9
352.09494	4.6
353.10083	3.6
354.11011	9.0
363.09131	2.1
363.21677	2.3
364.09619	2.0
366.07523	5.1
367.08212	11.4
368.09372	2.0
369.09381	3.5
379.08444	2.2
380.09076	5.2
381.05563	1.7
381.09854	9.0
382.10587	28.8
392.09079	3.7
395.07397	4.0
396.12338	4.3
397.09296	2.9
398.09946	4.6
404.45605	1.8
407.11319	6.3
409.09360	3.3
410.10132	47.1
411.10599	2.3
412.11652	2.3
413.12042	3.4
424.12039	2.8
425.12515	100.0
426.12811	6.4
440.10818	3.8
441.11520	7.5
455.13574	12.0
456.14194	86.0
457.14560	3.4
525.32904	1.9
563.35052	6.3
635.38782	6.8
653.19806	4.7
653.40381	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	653.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05453	0.8
70.36893	1.0
70.37228	1.5
81.06554	0.7
81.07030	2.1
91.05448	0.8
94.83836	0.9
98.22743	0.8
103.62197	0.6
104.29227	0.7
109.06528	0.9
166.04971	4.2
193.12218	0.7
202.89699	0.8
264.06390	1.3
265.07343	2.1
276.06354	1.1
277.07278	2.4
278.08081	1.1
292.06036	3.0
293.06790	1.9
299.09158	1.2
305.06821	1.3
306.07611	3.0
308.09036	4.8
310.08456	1.6
311.09537	3.6
314.08041	1.0
320.05472	2.3
322.07339	1.1
324.09702	1.1
325.07297	1.0
325.10715	1.6
326.08014	3.2
326.11578	1.8
327.08521	1.8
336.08539	5.4
338.07858	3.5
339.08847	9.7
340.09631	2.4
341.10300	1.3
342.07587	2.9
342.11258	1.4
350.08029	1.8
351.08640	2.1
352.09583	2.7
353.10321	3.6
354.07419	4.1
354.11319	6.2
355.07864	4.7
355.12146	1.2
356.09167	3.0
363.08780	1.7
364.09610	2.5
366.07501	4.4
367.08368	13.5
368.09006	4.9
369.09821	6.5
370.06802	4.8
370.11084	0.9
378.07556	0.9
379.08316	1.7
380.08957	4.2
381.09985	7.8
382.06223	1.6
382.10675	22.2
383.07355	1.9
383.11740	1.3
384.08417	5.7
385.08981	4.1
392.09167	1.8
394.06839	0.9
395.07730	4.1
396.08127	1.5
396.12326	2.3
397.09280	11.2
398.06348	2.6
398.10184	3.2
399.10986	4.5
400.11880	4.1
407.11572	4.1
408.08566	1.8
409.09311	2.8
410.10150	43.8
411.11118	3.8
412.11761	2.6
413.08441	1.0
413.12650	1.1
424.11801	3.2
425.12543	100.0
426.13837	4.5
428.11179	15.1
440.11249	2.8
441.11713	5.3
443.10104	1.1
455.13647	10.2
456.14130	62.0
457.14594	2.5
460.18896	0.9
474.11893	4.4
591.82874	1.0
621.14410	3.0
652.40796	1.5
653.17584	49.7
653.39124	2.1
654.17969	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	653.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11664	0.5
53.00299	1.1
55.05503	0.7
55.18512	0.6
67.05489	1.3
69.18507	1.3
69.18915	2.6
79.05489	1.4
81.03424	1.1
81.07052	1.6
91.05467	1.4
93.07050	1.5
95.04977	1.1
95.08600	1.1
98.23477	1.1
105.07034	0.6
107.04953	0.9
107.08605	1.0
109.20285	0.6
120.04469	1.3
121.02862	6.4
121.10126	0.7
128.03485	0.7
168.24478	0.6
174.05536	1.2
179.13266	0.6
202.05006	1.9
214.04971	9.4
230.04486	2.6
280.09726	1.7
290.11740	0.6
292.09802	1.2
294.11172	1.6
295.12155	0.8
306.11224	2.1
306.59412	0.6
307.12143	0.8
308.09149	1.1
309.13586	2.0
316.09909	0.7
317.10376	0.8
320.09186	0.8
322.10760	1.7
323.11588	0.8
324.12250	1.7
325.12839	1.3
328.09982	1.0
330.07645	0.8
333.13617	1.6
334.10580	1.4
337.12781	0.7
338.13831	6.1
339.14587	0.8
344.08810	1.1
344.12592	0.8
352.15411	3.6
353.16202	7.6
356.09042	1.2
357.10040	1.0
360.12320	0.7
362.10098	1.1
364.11719	1.1
368.09360	0.9
371.11047	0.8
372.12234	1.0
383.10458	0.7
384.08563	0.8
385.09082	0.7
386.13785	1.3
387.13626	1.8
390.09265	1.0
392.14798	2.0
400.11481	0.9
401.14908	1.8
414.12958	1.1
415.12836	4.4
417.18106	2.5
429.14621	1.8
430.15286	2.4
431.14056	0.7
443.12326	1.0
445.11829	0.6
445.17517	9.7
447.13660	0.8
457.13739	0.9
473.17068	0.9
491.15836	1.7
493.17770	0.9
503.11954	0.8
507.15573	2.7
515.12537	1.4
519.15973	1.8
531.12140	0.9
535.14307	1.3
537.20117	1.9
545.13312	2.4
546.14215	2.4
547.14362	1.4
563.14667	1.7
565.19830	2.3
573.13550	0.9
588.14655	0.8
589.15912	9.9
590.15668	2.1
591.13947	13.3
606.16272	12.3
607.16888	3.6
609.14996	4.2
621.18579	100.0
622.18921	5.9
624.17133	2.2
638.18970	2.5
639.19598	44.3
640.20172	2.5
652.37537	1.3
653.21149	18.2
653.39587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08820	5.1
53.04629	4.7
55.01863	5.2
55.05515	26.3
55.14351	4.3
57.03448	6.4
57.07074	12.7
58.06569	5.0
61.14201	4.3
61.15060	4.9
67.05495	28.4
69.03419	19.9
69.07059	46.5
71.08621	8.5
71.44032	5.5
79.05488	14.4
81.03413	11.8
81.07042	82.2
83.08615	25.6
85.02911	48.1
85.06535	15.3
91.05480	19.5
93.07045	21.7
95.04964	9.3
95.08593	80.4
97.02878	19.4
97.06526	5.4
97.10155	14.9
99.04436	5.2
99.08072	5.1
105.03411	25.8
105.07025	16.5
106.03728	19.7
107.04022	4.6
107.04888	4.6
107.08574	17.2
109.02884	22.9
109.03566	4.7
109.10148	57.9
111.11680	16.2
119.08556	10.6
121.10161	16.7
123.11685	23.3
125.13295	7.3
125.55935	5.3
127.03924	22.0
135.08141	6.3
135.11667	10.3
137.05931	5.0
137.13246	16.3
139.14960	4.8
145.02768	6.2
145.04930	14.0
145.10112	7.8
147.04370	6.7
147.11676	5.3
149.09546	5.5
149.13249	14.4
151.14813	16.7
159.07968	7.9
163.14755	6.8
177.05486	13.3
183.11758	5.2
193.06099	4.7
205.19542	6.0
211.16873	5.0
281.28348	9.2
287.05493	62.4
293.28326	20.2
311.29456	12.0
599.69403	5.2
653.31506	100.0
683.55646	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	654.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
56.05011	1.0
58.06593	100.0
61.02921	0.9
65.29320	0.7
69.03428	2.0
69.33549	3.1
80.28610	0.7
81.03439	1.3
85.02911	2.5
89.03912	0.9
91.05482	3.5
93.19611	0.8
95.04967	1.1
97.02887	1.8
99.04455	1.7
101.42825	0.8
109.02891	0.8
117.03383	2.4
119.04913	5.5
122.78595	0.9
123.04408	5.4
127.03869	1.5
128.80487	0.8
132.95496	0.8
136.06192	3.7
136.07571	0.8
137.02344	3.6
143.63521	0.7
145.02827	6.3
146.03195	2.1
147.04408	4.2
165.06990	1.2
166.08730	1.2
175.03888	10.9
177.05457	12.6
177.06917	1.1
178.05855	4.0
178.07701	2.2
179.05959	1.8
179.08511	6.2
189.07030	1.5
191.08563	4.7
193.06398	1.2
194.07216	1.1
195.07979	1.1
205.06505	2.3
206.07303	1.5
207.06525	19.6
207.08134	8.3
208.08748	2.0
209.09659	3.0
219.08081	3.0
221.05986	1.1
221.09660	1.9
222.06697	4.2
223.07596	1.3
224.08411	1.6
233.05969	1.7
235.07536	6.4
236.08279	2.2
237.05476	1.7
237.09071	5.7
238.06462	1.3
239.07042	0.8
239.10713	2.1
247.07687	1.2
249.05463	2.3
250.06152	1.1
251.06932	1.1
251.10774	0.9
252.07845	2.6
253.08601	4.5
263.06992	4.7
264.08038	0.8
265.08563	18.1
265.11227	1.3
266.09192	1.4
267.06619	1.0
267.10162	3.7
277.05048	1.1
278.09332	1.4
279.06284	0.9
279.10175	1.0
280.07181	1.6
281.08090	6.3
282.08820	6.3
284.10620	0.9
287.05524	3.1
288.05881	2.8
291.10416	0.8
292.07306	2.7
294.08966	0.8
295.09625	8.9
296.10318	5.4
297.11160	20.9
297.14417	1.3
299.12900	3.2
303.73627	0.9
307.09607	1.5
341.12192	1.3
341.16068	7.0
342.16949	10.9
369.11722	1.6
388.05539	0.9
474.18884	2.5
492.20331	4.0
654.25275	65.6
655.25336	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	654.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46091	0.5
56.80109	0.5
57.03427	0.7
58.06587	100.0
59.88995	0.5
61.02921	1.4
62.81634	0.6
69.03413	3.4
69.18990	3.5
70.06566	0.9
71.04974	0.8
72.08169	0.6
81.03402	1.7
85.02888	5.3
91.05463	1.6
97.02883	2.5
111.59416	0.5
119.04936	1.8
123.04435	1.2
127.03931	1.3
130.37018	0.5
133.02855	1.0
136.06172	0.9
136.07623	0.9
137.02353	0.7
145.02831	2.1
147.04425	2.5
151.03943	0.6
153.06923	0.5
154.60092	0.6
164.07069	0.7
165.06963	1.2
172.44788	0.5
172.76421	0.6
175.03902	3.3
177.04149	0.7
177.05417	3.5
179.08588	1.6
181.06480	1.1
181.10071	0.9
189.07034	0.7
190.07819	0.8
191.08504	4.6
193.06494	1.5
194.07289	1.8
195.08012	1.2
205.06523	2.2
207.06364	6.7
207.08081	4.3
208.08786	1.1
209.09569	2.7
218.07233	1.7
219.07968	5.1
220.08783	1.8
221.06024	2.4
222.06726	4.5
223.07512	1.7
224.08093	0.6
233.05997	1.6
235.07504	9.5
236.08319	2.3
237.09018	6.6
238.06198	4.1
239.07033	1.5
247.07443	2.6
248.08231	1.4
249.05431	2.1
249.09074	1.4
250.06361	1.4
250.09933	2.4
251.06996	1.5
253.08534	10.8
254.08920	1.0
255.06435	0.8
255.10123	1.1
263.07019	7.1
264.07736	2.0
265.08536	26.1
266.09167	1.8
267.06497	1.9
267.10239	2.3
269.11551	0.8
270.08966	0.9
277.08582	1.8
278.09448	2.2
279.10114	3.9
280.10922	0.6
281.08020	21.6
282.08746	9.3
284.10547	1.3
287.05389	2.7
288.05847	2.4
295.09811	1.3
296.10370	33.8
297.11124	28.6
298.11792	1.6
299.12692	2.7
308.12970	0.8
310.14331	0.7
324.07181	0.7
324.15881	2.4
326.14005	1.7
336.15967	1.5
341.16144	30.8
342.16907	24.9
343.17270	0.8
486.21448	0.8
492.20294	4.3
503.21454	1.1
504.21732	1.4
520.11737	0.6
615.46222	0.7
654.25299	71.8
655.25623	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	654.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13084	0.4
58.06593	3.9
64.08292	0.4
69.03403	1.8
69.07047	0.6
69.75115	0.8
71.04973	0.4
81.03399	1.4
81.29691	0.4
81.96609	0.4
83.04935	0.4
85.02892	1.6
86.06043	0.6
89.03905	3.6
91.05478	2.4
95.04972	0.4
97.02850	0.6
99.04457	0.5
101.06001	0.9
109.02868	0.7
117.03360	13.0
119.04916	4.9
127.03910	1.0
134.03642	0.8
135.04382	1.0
136.06195	0.6
137.05916	0.6
145.02829	40.8
146.03085	0.6
147.04359	4.7
149.05962	4.1
162.03091	0.6
163.03798	0.6
175.03883	8.0
177.05446	100.0
178.05820	2.8
179.07065	0.9
192.03986	0.4
195.06462	1.2
198.11247	0.8
207.06491	20.9
251.09116	2.6
281.08240	0.5
287.05478	3.0
288.05847	3.7
297.11221	0.6
313.12784	1.4
321.09729	0.8
339.10651	6.9
341.16296	0.4
342.20465	0.5
369.11807	1.9
374.50299	0.5
379.03244	0.4
450.10910	0.6
654.23627	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.7
51.02370	2.1
53.03945	2.8
55.01858	0.5
56.05031	0.5
58.06602	0.3
67.05503	0.5
72.04494	0.6
75.04467	0.7
77.03905	3.5
79.05480	1.1
80.05019	0.6
81.03413	0.8
81.07040	1.0
82.06585	0.5
90.75176	0.3
91.05470	2.2
93.07028	1.4
94.06557	0.9
95.04955	17.9
101.06055	0.4
103.66600	0.3
105.03381	100.0
105.04403	7.3
105.07007	3.6
106.03725	1.3
107.08617	0.5
108.08092	0.6
117.05804	0.4
117.06994	1.3
117.92061	0.3
118.06588	0.3
119.08559	1.4
121.06502	0.6
128.06212	0.6
129.07008	1.3
130.06512	0.7
130.07736	0.4
131.07277	0.8
131.08556	1.6
132.08078	1.3
135.08032	0.4
138.09158	0.8
141.06946	0.8
142.07823	0.4
143.07359	0.8
143.08556	1.7
144.08073	7.6
145.06441	0.5
145.08804	0.4
145.10059	0.4
146.09602	1.9
147.08020	1.6
148.07571	0.5
155.08514	1.8
157.08871	0.4
157.10133	0.7
158.09657	0.6
159.07979	0.6
160.07594	0.4
162.09196	0.4
165.07001	1.0
166.07693	0.4
167.08531	1.6
168.08182	0.4
169.10123	1.2
170.09639	0.4
171.08075	0.5
174.09143	0.8
178.07770	1.4
179.08644	1.8
180.09390	0.7
181.10101	1.4
182.09647	0.4
182.11790	0.8
184.11145	0.7
191.08572	0.7
192.09348	2.1
193.10124	3.7
194.09483	0.5
195.11705	0.9
196.11119	0.4
203.08543	1.1
204.09380	1.3
205.10121	1.4
206.10938	1.1
207.11691	2.4
209.13243	2.2
215.08601	1.4
217.10120	0.9
218.10913	0.7
219.11757	2.6
220.12570	0.4
221.13318	1.0
229.10117	0.5
230.10942	1.9
232.11226	0.5
233.13341	1.7
235.11165	0.6
235.14853	1.5
236.14471	0.5
237.12733	0.7
238.12152	0.6
245.13332	1.8
246.12701	1.1
247.11182	0.5
247.13538	0.5
250.15761	0.4
251.14375	0.5
260.14386	0.6
262.15845	3.0
263.14368	0.6
280.16928	3.5
290.15353	2.3
308.16345	5.4
309.16776	0.6
322.17963	0.9
326.17493	1.0
347.81454	0.4
350.17456	0.8
368.18506	1.5
384.19763	0.4
430.19968	0.7
472.20837	0.8
472.26782	2.3
532.21600	2.3
532.29718	4.9
594.24347	0.9
597.94269	0.4
633.38623	0.4
654.26636	89.8
655.27020	6.9
661.79407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01879	3.8
55.05506	7.3
57.03424	2.7
58.06594	1.8
60.04515	5.4
67.05500	6.4
69.03419	11.9
69.07060	21.1
69.14279	9.9
71.04977	4.8
73.06541	2.5
79.05483	17.1
81.03415	6.6
81.07051	15.1
83.04971	22.1
85.02906	11.2
85.06557	2.3
91.05474	16.1
93.07028	18.3
94.55565	1.6
95.04940	13.4
95.08602	7.5
97.02873	9.6
97.06517	39.5
97.07111	3.4
99.04436	16.3
105.07022	32.0
107.04922	14.6
107.08577	17.3
109.02865	8.1
109.06504	14.0
111.04446	3.7
111.08148	2.2
113.06041	2.0
115.05395	1.8
115.07559	2.1
117.06971	9.1
119.04931	5.3
119.08571	11.6
119.70180	1.7
121.06481	30.1
121.10138	3.9
123.04375	2.4
123.08066	2.6
125.05980	28.8
127.03925	7.9
127.07549	2.2
128.06163	2.9
129.06996	7.3
130.07794	2.3
131.08553	17.0
133.06488	7.8
133.10136	8.0
135.04321	2.1
135.08055	5.1
135.11667	5.6
137.05966	8.7
139.07498	4.3
141.06960	4.1
142.07745	2.2
143.07016	28.2
143.08469	9.2
145.04971	2.4
145.06497	9.0
145.10106	67.0
146.10452	2.8
147.04420	2.2
147.08034	4.7
147.11696	8.0
151.07541	4.7
154.07796	3.6
155.07095	2.0
155.08542	7.2
157.08669	2.4
157.10117	4.1
158.07265	8.7
159.08037	9.8
159.11665	20.5
160.08614	1.6
161.09639	4.8
163.07497	3.3
163.11162	53.9
169.08699	2.0
169.10059	9.1
171.08064	2.7
171.11726	2.1
172.08835	2.5
173.05922	1.6
173.09590	60.8
179.08571	2.1
181.12190	8.8
185.09665	2.0
187.07610	2.2
187.11147	40.6
189.12729	4.3
191.10637	16.8
192.44978	1.6
197.09615	8.8
199.11226	2.3
205.12216	37.7
207.13788	3.5
209.11691	3.6
211.11139	3.5
213.09068	2.4
215.10638	40.0
225.15071	2.3
227.10773	2.3
227.12837	6.9
229.12222	2.0
233.11685	100.0
234.12044	4.2
239.10738	2.2
243.10045	2.2
249.11177	2.3
251.12759	62.1
252.13196	2.9
257.11688	3.1
261.11224	2.4
263.12744	2.0
269.13779	17.7
275.12799	5.7
279.12308	2.9
287.05374	3.8
299.12885	2.2
303.04895	2.3
304.05399	1.8
307.18988	3.8
313.16599	3.5
317.13956	3.9
323.12570	3.8
330.26373	3.0
335.14835	3.2
341.13837	2.6
348.27383	5.3
359.15012	9.6
377.16006	14.5
395.17004	12.9
413.18011	19.6
654.25854	2.1
654.36340	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	654.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74512	2.6
55.01869	4.9
55.05499	5.5
57.03447	2.8
59.02695	2.7
61.28021	2.5
65.36470	3.0
67.05495	7.6
69.03426	16.4
69.07058	31.3
69.20217	2.6
69.25980	10.8
69.26388	5.9
71.04985	6.9
72.27837	2.5
79.05479	15.1
81.03403	6.6
81.07057	14.8
83.04975	48.4
85.02896	9.4
91.05468	24.8
93.07035	19.6
95.04949	11.2
95.08595	5.7
97.02877	6.8
97.06522	62.2
99.04436	22.8
99.92016	2.4
101.06007	3.8
105.03355	2.9
105.07027	57.9
107.04942	7.2
107.08590	18.9
109.02881	6.0
109.06504	15.4
113.06005	3.3
117.07007	11.0
119.04910	9.5
119.08563	12.1
121.02767	2.5
121.06504	39.0
121.10143	3.9
125.05975	75.2
127.03942	5.5
129.06990	6.0
130.07822	4.6
131.08522	18.3
133.06468	10.0
133.10129	8.4
135.08052	6.9
137.05984	6.8
139.07515	5.9
141.06900	3.6
143.07008	69.5
143.08537	8.7
144.09288	5.6
145.02800	3.7
145.06482	13.7
145.08960	5.3
145.10110	100.0
147.08002	2.9
147.11650	6.0
149.06055	3.1
151.07544	11.5
154.07671	5.2
155.08536	5.3
156.09312	3.3
157.08611	4.5
157.10112	2.9
158.07274	10.3
159.08044	9.6
159.11673	39.8
161.09660	3.8
163.11163	31.0
169.10101	11.7
172.08839	7.9
173.09601	80.9
177.05403	3.3
177.12759	12.5
187.11160	71.2
189.12724	7.2
191.10660	26.9
197.09599	8.9
204.66890	2.7
205.12230	68.2
205.14061	5.1
209.11739	7.1
215.10649	67.9
223.13176	5.5
231.08752	2.9
233.11719	95.9
234.12024	4.2
251.12730	68.9
269.13852	34.8
272.78183	2.7
341.13757	3.3
377.15833	6.3
395.17038	9.3
413.17941	34.0
462.70551	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	654.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.3
56.04992	0.5
57.03386	0.4
58.06541	0.7
59.04947	0.7
67.05441	0.8
69.03368	0.4
71.04981	1.8
75.04467	7.7
79.05418	1.1
80.04944	0.4
81.03364	0.7
81.06981	0.6
83.04881	0.4
85.02818	0.4
85.06492	0.7
87.04396	0.9
88.07565	0.5
91.05464	2.3
94.06509	0.6
95.04895	1.1
95.08512	0.4
97.06435	0.9
101.06001	7.1
103.05389	0.7
105.05391	0.9
105.06963	1.1
108.04406	0.5
108.05672	0.5
108.08046	0.9
109.06498	2.0
110.05952	1.1
112.07520	0.4
114.71874	0.4
115.05376	0.4
117.06924	1.2
119.04896	0.4
121.06407	1.5
122.05911	0.5
123.06790	3.8
124.05141	0.4
124.07471	1.2
125.05917	0.4
128.06201	0.5
129.06898	1.5
131.08485	0.4
134.09557	0.4
135.07942	1.3
136.07439	1.2
137.08221	0.6
138.09122	9.4
139.06519	0.4
139.07498	3.2
140.10597	0.7
141.06915	0.6
141.09058	0.8
143.08488	0.7
145.06377	0.8
146.09540	0.6
147.08023	2.0
148.11116	0.7
152.10646	2.3
153.06895	0.7
154.08614	4.0
155.08476	0.5
158.09608	2.1
159.07930	1.1
159.10374	0.5
160.11011	0.5
163.07445	0.6
164.10599	0.7
165.06923	0.8
165.11436	0.9
171.07927	1.2
171.10297	0.6
172.11096	1.4
173.11792	0.6
176.10625	0.9
177.09021	1.5
178.07631	0.5
178.12167	1.6
179.08441	1.0
182.11736	13.7
183.07936	0.5
184.11174	1.2
185.09615	0.6
186.09019	0.6
188.10580	0.9
190.12216	0.8
191.08525	1.0
193.10080	0.6
196.11134	0.7
197.09575	0.5
198.12720	0.4
199.07361	0.4
200.10555	0.4
202.07742	0.9
202.12212	0.7
203.08464	0.9
204.09268	0.8
204.13847	0.6
205.10001	1.2
209.09486	0.5
212.10657	0.5
216.09308	0.5
216.13687	1.0
217.09978	1.7
219.08180	0.4
219.11584	0.5
221.09541	0.6
223.11235	0.6
224.10509	0.5
226.12126	0.5
228.09219	0.6
229.10074	1.5
231.11685	0.5
233.09492	0.6
235.11209	0.8
238.12129	0.5
240.13620	0.5
246.10350	0.6
246.12704	0.7
247.11081	0.6
248.16374	0.7
252.13809	0.5
258.12695	0.7
261.12589	0.7
262.12372	0.5
266.32938	0.4
272.14191	0.7
276.13846	0.6
278.15259	0.9
280.12988	0.4
285.68060	0.4
288.13708	0.5
289.14536	0.5
290.15207	1.0
296.16199	0.4
302.15372	0.9
304.16742	1.2
306.18607	0.6
310.17999	0.8
316.16815	0.7
320.16302	0.7
322.17834	0.9
326.17404	0.8
334.18015	0.8
335.18866	0.6
336.19540	0.5
340.18948	1.1
342.20386	0.7
348.19586	0.7
350.21133	0.5
356.18613	0.7
357.03732	0.4
364.18756	0.5
366.20557	0.8
394.20111	0.4
396.21622	1.4
398.23294	0.7
402.22647	0.7
410.22989	0.7
426.22696	1.5
428.24274	0.4
440.23981	0.8
458.13254	0.4
458.25128	0.5
472.26852	39.3
473.27136	2.1
500.26727	1.0
532.28973	88.4
533.29266	5.7
593.65198	0.4
594.30994	0.5
654.32568	100.0
655.32916	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	654.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	23.9
55.83973	8.9
57.03443	16.3
57.07065	27.2
67.05490	27.2
69.07055	16.6
69.49844	36.0
71.08627	22.8
74.63738	8.3
79.05486	25.0
81.07052	32.0
83.08627	18.8
85.10166	22.2
91.05462	14.2
93.07034	15.8
95.04977	10.4
95.08578	20.0
97.10168	25.0
107.08584	14.0
126.97668	9.8
133.10121	12.6
135.08072	17.5
150.13435	10.6
163.07591	9.7
193.12224	17.4
198.20250	9.6
252.78481	8.9
289.17941	25.2
302.83194	8.7
307.18970	10.5
313.27325	100.0
320.13159	9.4
335.25513	8.5
381.22693	95.1
386.25082	8.4
551.75952	10.7
619.45605	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	655.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57201	0.5
55.01828	0.7
55.05462	1.8
56.08110	0.4
59.21154	0.4
59.81886	0.4
61.57037	0.4
65.03890	0.9
67.05489	2.8
69.07017	1.2
69.28716	2.0
69.29121	0.9
79.05486	2.9
81.07043	4.7
83.04929	1.4
83.08556	1.2
91.05459	2.5
93.07043	2.4
95.04961	2.1
95.05443	0.5
95.08566	1.1
96.05977	0.4
97.10127	0.6
98.22688	1.0
105.07010	2.3
107.04884	1.6
107.08512	1.5
109.02909	0.5
109.06455	1.4
109.10101	0.8
111.04359	0.5
117.06960	1.7
119.08553	2.1
121.02065	0.5
121.02848	5.6
121.10067	1.1
122.72117	0.4
123.08044	0.5
125.09527	0.5
129.06964	0.5
131.08514	0.4
133.10066	1.8
135.08031	1.0
143.08467	0.5
145.10074	0.8
147.11613	0.8
157.10080	0.5
159.07985	0.5
161.09566	1.0
161.13203	0.5
163.11131	1.0
169.10136	0.7
171.11652	0.5
172.59178	0.4
175.01527	0.7
175.11157	0.5
181.02519	1.1
193.12195	0.5
223.13225	0.7
243.17432	0.5
249.07875	0.6
250.08481	1.6
251.09407	0.9
252.10106	1.4
253.10684	0.5
263.09290	0.9
264.10074	1.6
265.08435	0.7
265.10931	5.8
266.08054	4.3
266.11200	0.8
267.08984	0.5
268.13123	0.5
275.20102	2.6
277.08298	0.6
277.11029	0.8
278.08060	1.7
278.11646	1.1
279.08936	1.0
279.12512	1.5
280.09662	8.6
280.12689	0.9
281.07788	0.4
281.10254	3.5
289.17947	2.7
291.08890	1.4
291.19467	0.8
292.09576	5.3
293.07849	0.5
293.10434	5.0
293.21002	0.8
294.07602	1.9
294.11182	5.5
295.08432	2.1
295.11935	5.1
296.09274	0.9
296.12561	2.5
304.09558	0.7
305.07767	0.9
306.07944	0.7
306.11194	1.4
307.08740	0.8
307.11996	5.1
308.09158	6.2
308.12610	2.2
309.09863	1.9
309.13541	1.9
310.10638	5.4
310.14282	1.9
313.12195	0.6
320.09329	1.1
322.07297	1.0
322.10672	20.9
323.08127	0.9
323.11322	2.5
323.14838	1.0
324.08597	3.3
324.12207	25.0
325.12616	1.3
336.12448	1.1
337.09222	1.0
337.13007	7.8
338.10089	14.7
338.13831	27.7
339.10846	2.5
339.14514	22.6
340.14856	0.8
349.23495	0.9
351.12296	0.9
352.11700	3.4
353.12488	3.5
353.16162	47.9
354.13159	10.1
354.16782	16.7
355.13437	0.6
355.17252	0.7
368.14862	100.0
369.15363	10.0
387.83725	0.6
473.18103	2.5
535.20593	7.3
543.18756	0.8
599.25153	1.1
637.40698	1.2
640.20325	6.0
655.22571	23.8
655.40900	3.5
656.22992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	1.1
55.84853	0.3
57.05081	0.3
60.90748	0.3
67.05454	1.1
69.07026	0.6
75.60985	0.3
79.05482	1.5
81.03317	0.4
81.07037	1.5
83.08574	0.6
91.05415	1.0
91.53880	0.3
93.06987	1.1
95.04905	0.7
95.08575	0.4
95.63634	0.3
105.06955	1.1
107.08559	0.6
109.06446	0.6
109.25388	0.3
117.06918	0.4
119.08504	0.6
131.08536	0.4
133.10071	0.5
136.03944	1.7
174.83221	0.3
237.73186	0.3
250.08594	0.4
250.67154	0.3
262.08707	0.4
265.08347	0.3
271.16769	0.4
275.20038	1.0
278.08115	1.1
278.11328	0.3
279.08749	0.6
279.12350	0.4
280.06662	0.5
280.09558	2.1
284.06589	0.3
289.17899	0.6
291.19254	0.5
292.09454	0.8
293.07776	0.8
293.10605	0.6
294.07617	1.4
294.11139	2.5
295.08334	1.4
295.11926	1.1
296.09039	0.6
298.62195	0.3
304.09467	0.5
305.07828	0.6
306.07532	1.2
306.11032	0.5
307.08838	0.8
307.12033	1.2
308.09128	6.9
308.12653	0.5
309.09976	1.0
309.13528	0.4
310.10724	4.7
310.14072	0.7
311.11310	0.4
316.11612	0.3
320.09073	1.2
321.10043	1.5
322.07416	0.8
322.10681	17.8
323.07620	1.2
323.11273	3.4
324.08627	4.1
324.12250	4.0
326.13956	0.5
336.08649	0.5
336.12323	2.1
337.09351	0.5
337.12982	6.8
338.10141	20.8
338.13885	7.1
339.10742	4.1
340.11804	0.5
351.11719	0.6
352.11740	8.4
353.12323	4.8
353.16217	10.4
354.13297	21.5
355.13541	1.4
363.21573	0.4
366.13284	0.6
367.14166	3.8
368.14874	100.0
369.15234	7.9
370.10815	0.4
371.11490	0.6
399.10721	0.7
417.15302	0.5
425.12549	0.6
430.12674	1.7
441.26440	0.4
442.12949	1.2
444.14313	0.5
445.14941	1.6
457.15314	0.5
458.12265	8.1
459.12158	0.5
460.17554	11.9
461.17969	0.9
472.13800	0.7
473.14539	6.6
475.16187	31.1
476.17319	1.5
487.16049	0.5
488.16946	27.1
489.17337	1.3
491.15829	0.5
506.18024	1.5
608.17590	0.4
623.19879	0.5
640.20422	8.7
641.20416	0.6
655.22681	37.0
655.39984	1.3
656.22827	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	655.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.5
57.03419	0.6
58.06586	1.0
59.32224	0.5
61.41475	0.6
66.92245	0.5
67.04510	0.5
67.05492	2.0
69.07032	0.8
79.05482	2.3
81.07056	4.0
83.05006	0.5
83.08612	1.1
91.05474	2.3
93.07047	1.3
95.04956	1.3
95.08584	1.7
105.07038	1.8
105.23187	0.5
107.04926	0.8
107.08608	1.6
109.06495	1.8
119.08630	1.4
121.10104	0.7
129.06975	0.7
131.08563	0.8
133.10107	0.9
143.08479	0.6
145.10091	1.1
147.11725	0.9
250.23210	0.5
252.00763	0.6
275.20013	1.1
291.19601	1.5
391.19162	1.5
401.66541	0.6
405.17001	1.8
407.22366	4.6
408.22937	0.7
418.17398	0.8
419.17813	2.7
420.19299	1.9
421.20236	1.9
433.20816	4.5
434.20914	5.5
435.21704	8.3
436.22281	1.5
447.17371	1.4
447.22134	2.3
448.22977	0.9
449.19669	2.0
451.21054	0.6
459.22101	0.6
461.18970	0.7
461.24118	0.9
462.20169	4.6
463.21063	4.5
464.22128	1.1
475.21198	1.5
476.21951	1.2
477.22693	1.2
479.20560	1.3
489.22577	1.5
493.22208	1.0
495.23874	2.0
507.23322	0.9
508.24655	1.9
509.25385	2.0
521.25537	12.8
522.25543	0.7
549.24854	20.4
550.25153	1.3
553.24786	1.1
563.26703	3.7
564.27417	0.7
577.24347	1.0
581.27545	2.4
595.29169	9.9
596.29211	0.9
609.26904	11.6
623.28986	0.8
637.40784	1.2
655.30994	100.0
655.87360	0.8
656.31519	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	655.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55161	0.8
55.01863	2.6
55.05499	13.0
57.03427	6.5
57.07067	44.0
58.06581	1.9
61.02916	10.5
65.03934	1.2
66.34236	0.9
67.05495	19.5
69.03410	1.5
69.07052	12.8
71.04977	2.0
71.08617	33.3
73.02893	3.3
75.04456	2.0
79.05478	15.1
81.03395	2.2
81.07042	38.8
83.04955	2.6
83.08607	16.2
85.02887	11.7
85.06526	2.1
85.09687	1.4
85.10168	18.6
91.03942	7.9
91.05455	10.4
92.05762	0.7
93.07034	8.7
95.04971	5.0
95.08588	32.2
97.02875	5.2
97.06505	2.3
97.10146	9.4
99.11693	1.0
105.04443	0.9
105.07003	8.5
106.39218	0.8
107.04939	4.1
107.08549	6.3
109.02868	1.6
109.06496	8.0
109.10139	15.6
111.04441	1.2
111.08038	1.6
111.11693	1.8
115.05453	0.8
117.07005	5.4
119.08552	7.2
121.06486	2.3
121.10125	3.8
123.08054	2.3
123.11670	5.8
125.09602	2.4
125.13268	1.2
127.03900	3.8
129.06998	2.2
131.08517	4.5
133.06476	1.5
133.10095	3.9
135.08012	2.4
135.11674	2.1
137.09605	1.7
137.13216	2.5
139.14847	1.0
143.08521	2.4
145.04945	5.4
145.06409	1.0
145.10100	3.5
147.07994	2.2
147.11674	1.5
149.09584	3.0
149.13182	1.3
153.09023	0.8
155.08528	1.0
157.10097	1.8
159.08089	1.2
159.11685	2.1
161.09590	2.4
163.05994	5.9
163.11169	2.9
171.11682	1.6
172.49953	0.8
173.09546	1.5
173.13252	1.3
177.09111	1.1
189.11067	1.1
193.12166	1.9
221.10240	0.9
221.22470	1.0
239.23654	36.3
247.20584	1.0
255.17477	1.0
257.24701	4.1
273.18454	8.2
274.18903	0.9
275.19934	4.4
286.51190	1.0
289.17972	2.5
291.19516	9.3
293.20724	1.3
313.27304	100.0
314.27713	3.9
331.28311	13.0
347.22073	2.3
349.23840	1.4
365.22955	1.3
475.32382	2.3
557.34595	1.9
598.32996	0.9
637.40802	4.1
655.41821	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	656.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02376	0.9
53.03940	1.7
55.01865	0.4
56.05038	0.7
56.90911	0.4
57.23515	0.3
58.06591	4.1
59.15061	0.3
63.66949	0.4
65.03912	0.4
67.05494	0.5
71.04992	0.6
72.08179	0.7
75.04472	4.5
77.03933	1.6
79.05489	0.8
80.04986	0.4
81.07075	1.2
83.04971	0.4
84.08163	0.4
85.02916	1.1
87.04476	0.8
88.42715	0.3
91.05489	1.3
94.06577	0.7
95.04957	8.5
97.06529	1.1
97.53965	0.3
101.06010	2.8
102.09195	0.5
105.03379	45.7
105.04536	2.6
105.06992	0.6
106.03741	0.6
108.08141	0.8
109.05273	1.2
109.06548	1.1
111.06846	0.4
111.08069	2.9
112.07616	1.4
115.05448	0.7
117.07009	0.5
120.08142	0.4
121.02881	0.5
121.06523	0.7
121.08930	0.8
122.06049	1.3
122.09666	1.3
123.06808	0.7
124.07553	4.7
124.08257	0.4
127.03967	0.3
129.07028	1.0
131.08615	0.4
134.09616	2.5
136.07607	0.9
137.08360	0.5
138.09204	1.4
139.07545	1.0
141.07002	0.6
141.09119	0.7
144.08047	0.6
144.10194	0.7
145.04915	0.4
145.06522	0.6
146.02176	0.3
146.09654	0.6
149.70747	0.3
151.10019	0.5
152.10715	5.2
153.07028	0.4
154.08611	3.7
155.08669	0.5
157.06642	0.5
157.08900	1.1
158.09702	1.4
159.07977	0.4
160.11237	0.9
162.09143	0.7
165.06943	0.8
165.09073	0.4
167.08636	0.7
168.10162	3.6
169.05090	0.4
169.06419	0.4
170.09689	1.2
171.10284	0.7
172.11235	1.0
174.09198	0.9
176.10777	0.4
178.12320	0.7
179.08595	0.8
181.06563	0.6
182.11748	14.0
183.07977	0.4
183.12222	0.5
184.11157	0.8
185.09776	0.4
186.09279	0.4
188.10741	0.4
190.12271	0.8
191.08598	1.0
192.09590	0.4
193.10155	0.8
195.08240	0.5
196.11179	0.4
200.10713	0.4
201.11458	0.4
202.07747	0.8
202.12361	0.9
203.08667	0.5
204.13841	0.5
205.10327	0.6
207.08069	0.6
209.09639	0.4
213.09215	0.6
217.10201	0.7
221.09698	0.4
224.10664	0.5
224.14534	0.4
227.08607	0.4
231.08096	0.4
234.15121	0.4
235.11345	0.6
245.09631	0.5
247.10988	0.5
249.76689	0.4
250.12167	0.7
258.12790	0.4
276.13992	0.7
278.15448	0.8
280.16989	0.4
281.08130	0.6
282.14929	0.5
290.15344	0.7
296.10345	0.8
296.16397	0.5
306.14874	0.6
308.16638	0.5
310.18137	0.4
315.98282	0.4
318.15210	0.4
322.17941	0.5
326.21466	0.5
338.17398	0.4
340.19376	0.4
352.19180	0.6
354.20612	3.4
386.23209	2.2
414.17108	0.7
414.22653	11.7
415.23349	0.7
460.21088	0.7
476.24182	2.2
490.22464	0.6
504.23831	0.7
534.21368	0.8
536.26355	22.5
537.26794	1.6
564.26056	1.6
579.11041	1.2
596.28467	39.3
597.28784	3.6
656.30682	100.0
657.31757	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	656.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.8
58.06584	3.6
59.05017	0.8
67.05508	0.9
69.31567	0.6
70.45010	0.7
71.04974	2.3
72.08139	1.7
73.57500	0.6
75.04447	5.0
79.05479	1.9
81.07072	1.1
89.16103	0.6
91.05431	3.3
95.04950	2.9
97.41462	0.7
98.23486	1.7
101.05992	1.4
103.05441	1.0
105.03377	7.1
105.07030	3.1
107.04939	1.1
108.08152	1.3
109.06538	2.0
111.08068	2.4
115.05455	1.2
117.07005	1.7
119.04970	0.8
119.40084	0.6
121.06492	2.0
125.06032	0.7
128.06200	1.4
129.06992	3.3
133.06485	0.9
135.08017	3.5
138.09177	1.0
138.11038	0.7
141.06995	1.6
141.09106	0.7
143.08542	1.0
145.06445	0.8
146.09656	1.0
147.08063	1.7
152.10771	1.2
153.06978	1.1
155.08522	1.3
157.06537	0.7
158.09647	1.7
159.07990	1.7
161.09625	1.0
165.06993	1.0
167.08591	0.9
171.10352	0.7
173.09705	0.8
177.09171	0.9
178.12254	1.1
179.08539	1.3
182.11700	0.8
184.11246	1.5
185.09653	1.0
186.12643	0.7
190.12318	0.8
191.08580	1.4
192.09271	0.9
193.10059	0.9
195.08179	0.9
197.09700	0.7
197.11786	0.6
202.07809	1.3
203.08569	4.0
204.09431	1.5
205.10129	2.7
215.08629	2.1
216.09366	1.6
217.10132	2.2
219.11758	2.1
221.09502	0.8
229.10193	2.7
229.48251	0.8
231.08130	0.7
231.11722	2.1
235.11205	1.5
243.11734	0.8
245.09518	1.0
246.10345	1.0
247.11186	1.2
249.12854	1.0
258.12717	0.7
261.12753	2.2
261.31046	0.6
270.12848	0.7
277.96802	0.7
279.13742	0.7
293.15356	1.7
304.16907	1.5
318.18591	2.1
324.19806	0.8
324.67755	0.7
336.19528	1.1
350.21143	1.7
366.20508	1.0
378.20697	1.8
410.23251	2.7
416.24374	2.3
442.25821	13.8
443.26715	0.8
468.96680	0.8
473.27347	1.5
474.28006	4.8
502.27853	4.2
533.29395	1.8
534.30389	25.5
535.30707	1.4
564.29901	1.3
656.34094	100.0
657.34821	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	656.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01868	14.5
55.05505	50.3
57.03428	19.1
57.07067	55.9
67.05499	62.7
69.03452	5.5
69.07064	27.7
69.09106	20.6
71.08628	33.3
76.08132	3.4
79.05482	54.8
81.03419	14.9
81.07049	100.0
83.04983	13.0
83.08615	30.4
85.06538	3.4
85.10176	23.0
91.05470	29.0
93.07030	31.7
95.04950	23.2
95.08596	39.8
97.06532	8.3
97.10165	47.8
105.04539	3.9
105.07028	24.6
105.40289	3.2
107.04954	14.4
107.08575	26.1
109.06515	7.3
109.10153	20.7
111.04424	17.2
111.08085	9.4
117.07011	19.3
119.08573	26.0
121.06512	8.7
121.10125	18.0
123.08034	33.1
123.11687	6.0
125.09616	31.6
129.07037	6.6
131.08548	18.0
132.18352	3.4
133.10117	10.5
135.08038	11.6
135.11664	9.4
137.09602	9.1
143.08578	8.3
145.10143	16.6
147.08009	15.8
147.11700	4.3
149.09586	10.1
153.09163	4.4
153.12717	7.6
157.10153	7.4
159.08058	4.8
159.11661	7.4
161.09634	13.2
163.11168	20.5
173.09558	3.7
175.11227	4.7
181.12267	10.6
186.96237	3.3
189.11160	20.3
191.10661	5.2
193.12231	5.3
227.12775	13.4
245.18997	5.2
273.18481	30.3
291.19476	58.8
309.20535	4.3
313.27307	73.7
347.22003	6.6
365.23364	16.5
383.24194	11.6
387.66473	3.5
420.76730	3.1
438.24741	3.9
472.03769	4.2
603.45874	21.9
621.47015	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	657.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33414	0.4
53.02999	0.4
56.05022	0.7
57.03438	0.5
58.06593	96.6
59.06931	0.5
65.03925	2.4
65.17369	0.4
67.05526	0.6
69.89234	0.5
69.89585	1.3
70.06590	0.5
72.08163	1.0
79.05512	0.6
81.03432	0.6
81.07052	1.1
87.57849	0.4
91.05467	0.5
93.03401	0.5
93.07027	0.8
95.01306	0.5
95.04970	1.4
95.08620	0.5
96.04495	0.5
105.03387	3.2
108.04459	0.6
109.02914	0.5
109.10115	0.5
111.04477	0.5
120.04465	1.9
121.02850	25.5
129.51082	0.4
131.08598	0.5
136.03893	2.2
137.02380	1.0
138.39778	0.4
145.20836	0.4
149.04704	5.0
150.05476	1.1
151.02606	1.1
154.04970	3.5
157.08870	0.6
164.03406	7.2
165.04160	2.5
165.07033	0.5
166.05058	0.6
178.07817	0.8
179.08604	0.6
181.03667	0.7
182.04454	13.7
189.06888	0.4
191.08554	0.7
193.06425	2.2
196.06017	15.8
203.08687	0.5
205.06622	0.6
206.07143	0.7
207.07973	2.9
208.08875	0.5
219.08118	1.3
220.08847	0.8
220.15231	0.5
221.05992	2.2
221.09662	1.5
222.06752	0.5
223.07607	1.9
233.05898	0.6
234.06787	1.2
235.07501	14.7
236.08269	2.4
237.05429	0.6
238.06195	15.6
239.06943	0.5
240.06474	2.9
247.07591	0.6
248.08305	2.5
249.05507	1.7
249.09027	2.3
250.09811	0.5
251.06961	4.3
251.10802	0.7
252.02989	1.1
252.07710	2.9
253.08571	5.1
262.06125	0.5
263.07007	12.0
264.07642	1.3
265.08658	0.9
266.05682	2.2
266.09488	0.8
267.10260	1.3
276.07834	1.2
277.08536	8.2
277.11301	0.6
278.09207	0.5
279.06516	6.2
279.09610	0.8
280.07211	1.4
281.08047	40.3
282.08691	0.8
286.38263	0.4
291.06796	0.5
291.09955	1.0
294.08801	8.3
295.09637	6.5
296.10364	46.0
297.10919	1.6
298.12067	0.7
300.80295	0.4
309.11148	18.9
310.11774	1.1
311.09146	4.7
311.12546	0.8
323.09103	1.3
356.09204	0.6
384.08759	0.6
385.09552	1.2
400.11786	1.0
417.11993	0.7
428.11374	1.0
430.08856	0.8
432.14539	1.4
433.71915	0.5
445.11734	0.7
460.13846	12.5
461.14209	0.6
462.15601	1.3
474.15289	0.6
477.14230	1.7
492.16415	2.2
505.19876	0.6
522.11755	1.1
537.14063	0.9
537.22314	15.8
538.22272	1.0
548.13501	1.2
548.25555	0.5
550.11401	1.6
565.13495	1.5
580.15985	21.0
581.16364	1.4
582.17279	0.9
597.15869	0.5
612.18475	5.1
614.20184	0.8
618.49048	0.4
625.21338	3.1
657.24280	100.0
658.24689	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	657.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01860	12.1
55.05500	29.0
57.03225	0.4
57.03426	5.5
57.07059	1.5
59.04992	1.0
65.03651	0.4
65.03938	3.8
66.04697	0.5
66.94540	0.4
67.05491	36.7
69.03418	3.2
69.06711	1.0
69.07069	13.6
69.07407	2.5
69.84425	0.5
71.04993	4.9
77.03909	1.5
79.05477	51.6
81.03403	6.5
81.07040	100.0
82.07372	1.2
83.04457	0.9
83.04963	17.6
83.08601	18.1
85.02887	8.6
85.06528	3.0
87.04469	0.6
88.07635	1.0
88.50380	0.4
91.05462	33.3
92.05774	0.5
93.07026	34.2
95.04950	37.3
95.08584	19.2
96.05318	0.6
97.06502	5.6
97.10144	9.1
99.04437	5.2
99.08055	1.3
102.09148	1.0
103.05412	1.5
105.03381	0.7
105.04501	2.2
105.07007	25.7
107.04935	13.5
107.07817	0.8
107.08570	25.0
109.06494	41.0
109.10130	10.5
110.06914	0.6
111.04419	16.3
111.08048	7.4
115.05449	2.5
116.06226	1.4
117.06993	15.9
119.04961	0.7
119.06088	0.7
119.08557	32.5
120.08907	0.8
121.06475	12.0
121.10116	14.8
123.04409	0.6
123.08045	11.3
123.11694	1.5
125.05974	1.5
125.09599	9.9
128.06213	2.1
129.05475	0.7
129.06961	7.7
130.07730	1.7
131.08540	15.6
132.05678	0.8
133.06467	4.0
133.10095	12.2
135.08034	8.0
135.11664	8.8
135.12616	0.6
137.09570	5.1
137.13261	0.6
139.11156	1.2
141.06970	1.9
141.09047	0.5
142.07721	1.1
143.08528	6.7
145.06464	2.3
145.08946	1.1
145.10097	22.7
147.08017	13.1
147.11641	6.7
149.02341	1.8
149.09596	14.4
149.13252	1.8
151.07506	0.5
151.11185	1.7
153.09105	1.8
153.12723	3.4
155.08557	1.9
157.06464	0.8
157.10092	6.3
159.08049	3.7
159.11650	8.0
161.09592	9.3
161.10841	0.8
161.13246	2.4
162.10027	0.5
163.11147	17.3
163.14799	0.6
164.11609	0.6
165.09088	5.5
165.12750	2.3
167.08502	0.7
169.10118	2.2
171.08043	1.0
171.10258	1.1
171.11607	4.6
173.09573	3.0
173.11841	1.0
173.13220	2.7
175.11206	3.2
177.09113	0.7
177.12743	1.6
181.10207	0.7
181.12225	4.4
183.10202	1.2
183.11676	2.6
185.09555	0.6
185.13243	1.8
187.11121	2.6
187.14775	1.3
189.11182	7.9
189.12650	0.9
191.10620	2.8
191.14238	1.0
193.04984	2.3
193.12181	1.4
195.11668	1.3
197.13293	1.2
199.11198	1.0
199.14810	0.8
201.12764	0.6
203.14421	0.7
205.12177	2.5
207.13860	0.7
207.70264	0.6
209.11688	1.3
209.13408	0.7
211.14813	1.0
213.12761	1.2
215.17882	0.6
219.13782	0.7
223.13242	20.6
227.12685	4.9
227.17918	1.7
229.19547	1.9
231.13791	1.2
239.17932	1.5
245.19112	2.9
247.20515	1.0
249.14754	4.6
255.17397	4.0
256.26389	2.0
257.18958	3.7
273.18430	34.6
274.18793	1.4
275.20016	30.8
276.20361	1.0
283.15186	0.9
291.19476	91.3
292.19836	3.7
293.21063	11.3
309.20602	2.0
329.21149	0.8
331.22559	0.7
347.22064	11.7
349.23669	16.2
350.23959	0.7
365.23199	8.0
367.24838	3.3
385.09061	0.8
429.11890	1.3
475.30603	0.9
541.35547	0.8
559.35828	1.0
565.39392	0.6
621.40894	2.4
639.42401	14.2
640.42505	1.1
657.43451	21.7
658.34833	2.5
658.44128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62752	0.9
53.03942	3.4
55.01868	17.2
55.05506	53.9
57.03442	7.4
57.07072	3.7
58.06595	1.1
59.04994	2.0
65.03931	5.3
67.05497	57.2
69.03431	5.4
69.07059	26.5
70.06580	6.6
71.05003	7.2
71.08634	1.5
77.03915	1.3
79.05487	67.5
81.03416	10.8
81.03844	1.5
81.07048	100.0
82.07394	1.0
83.04971	22.1
83.05424	1.5
83.08612	33.1
85.02900	8.1
85.06551	3.1
88.07621	8.1
90.17725	0.8
90.67620	0.9
91.05468	48.7
93.03452	0.9
93.07034	49.4
95.01331	1.1
95.04958	65.9
95.08596	29.8
97.02892	1.1
97.06516	11.3
97.07096	1.1
97.10153	16.7
97.10732	1.6
99.04448	7.6
99.08083	1.5
102.09155	6.5
103.05443	2.0
105.04520	2.9
105.07018	41.1
105.07723	2.0
107.04945	19.5
107.05648	1.0
107.08585	34.9
109.06502	21.1
109.07191	1.5
109.10142	17.1
111.04429	22.2
111.05149	1.4
111.08076	10.3
113.05968	1.1
115.04707	1.2
115.05484	3.5
116.06217	1.3
117.07005	17.7
119.04951	1.9
119.06101	0.9
119.08568	39.0
121.06503	14.4
121.10135	24.8
123.04424	1.1
123.08058	18.6
123.11745	3.5
125.06022	2.5
125.09619	16.6
128.06253	3.6
129.05504	1.0
129.06993	10.8
130.07773	1.4
131.04913	1.7
131.08554	25.4
131.76355	0.9
133.06487	6.0
133.10101	19.3
134.10486	1.0
135.08018	10.2
135.11679	12.7
137.09610	7.9
139.07591	1.1
139.11221	3.1
141.06998	3.3
141.09094	1.1
142.07799	2.6
143.08542	11.5
145.06479	4.5
145.10107	30.0
145.11194	1.6
146.07294	1.4
147.08028	16.7
147.09120	1.3
147.11678	11.3
149.02325	14.7
149.03407	1.4
149.09590	25.1
149.13310	3.3
151.11235	2.8
153.09137	2.2
153.12726	6.7
155.08582	4.2
156.09315	1.1
157.06554	1.0
157.10112	8.6
159.08078	4.3
159.11685	14.1
160.12172	1.0
161.09595	15.9
161.13269	4.1
163.11171	36.8
163.14804	1.1
164.11494	1.0
165.09105	3.1
165.12762	5.9
167.08647	1.8
167.10654	1.4
169.10164	4.0
171.08128	1.8
171.10272	2.0
171.11627	7.4
173.09605	7.0
173.11827	2.0
173.13327	4.8
175.11140	6.7
177.12659	4.9
179.10745	1.5
181.03137	1.0
181.10704	1.4
181.12276	7.0
183.11705	5.1
183.13829	1.5
185.13197	4.6
187.11192	5.1
187.14897	2.1
189.11263	16.9
189.12785	3.4
191.10677	5.7
193.04955	13.5
193.12294	3.5
195.11682	2.6
197.13141	1.9
199.11180	1.9
199.14801	2.0
201.12753	2.2
203.14441	1.0
205.12244	5.9
207.11919	1.2
207.13823	2.0
209.11705	1.4
211.14943	2.0
213.12822	1.1
213.16376	2.4
215.14371	1.3
217.15831	1.3
219.13878	1.3
223.13242	40.7
227.12726	11.5
227.17937	1.9
229.19571	2.6
231.17427	1.8
233.15393	1.8
237.07553	4.7
237.16507	2.0
239.17949	3.8
242.62474	1.0
245.18976	6.4
247.20709	3.1
249.14948	2.3
255.17433	6.3
256.26334	15.0
257.18964	9.5
263.20270	1.0
273.18460	54.9
275.20026	58.7
276.20279	2.2
283.15326	1.2
291.19507	56.0
292.19656	2.0
293.21066	22.3
309.20807	2.9
311.19894	1.7
313.07019	1.4
329.21194	2.7
331.22668	1.9
341.06659	3.7
341.24597	1.3
347.22150	23.9
349.23709	21.3
359.07782	2.0
361.03864	1.0
365.23257	10.3
366.23605	1.3
367.24835	6.8
385.09058	5.9
400.75772	1.1
429.11700	10.5
510.01141	1.1
511.35782	1.4
515.33423	1.8
529.35419	2.0
531.33459	1.4
547.37671	1.7
565.38867	2.3
583.40607	1.1
621.41254	5.9
639.42346	24.2
640.42798	1.2
657.43542	52.9
658.35486	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	658.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.6
51.02371	1.3
53.03942	2.7
55.01852	0.3
55.05492	0.4
56.05017	0.3
58.06596	1.3
65.03920	0.3
67.05488	1.0
69.03382	0.3
70.06573	0.8
71.04970	0.3
72.04501	0.7
74.06066	0.8
77.03902	2.2
79.05489	1.3
81.03393	0.9
81.07052	0.4
82.06583	0.4
84.04491	0.3
86.06003	0.3
91.05463	1.9
93.07042	0.7
94.06569	0.5
95.04951	15.0
95.08582	0.5
96.05280	0.3
96.08111	0.8
97.06523	0.4
103.05486	0.4
105.03378	75.6
105.04403	6.0
105.06992	2.4
106.03714	1.2
107.04952	1.3
107.08569	0.7
108.08084	1.4
110.06026	1.2
110.09626	0.4
112.07572	0.9
115.05444	0.4
117.06998	0.9
118.06562	0.3
119.04945	0.8
119.08574	0.8
120.08099	0.5
121.02782	0.3
121.06489	0.5
122.09693	0.4
123.04442	0.4
123.06863	0.3
124.07565	0.9
128.06236	0.7
129.06969	2.0
131.04933	0.3
131.07291	0.4
131.08566	1.1
132.08080	0.9
133.06482	0.6
134.09628	0.5
135.08054	0.4
136.07602	0.6
137.05920	0.3
140.07053	0.3
141.06970	0.9
142.07751	0.4
143.04904	0.3
143.07419	0.3
143.08556	1.3
144.08055	1.7
145.06471	1.5
145.08830	0.5
145.10100	0.4
146.09621	1.6
147.04364	0.4
147.06750	0.4
147.08025	0.7
148.07550	0.7
148.11150	0.4
153.07016	0.4
155.08574	1.5
157.06584	0.4
157.08852	4.9
157.10039	0.4
158.09615	1.7
159.08014	0.5
160.07545	2.8
160.11172	0.4
161.08356	0.3
162.09142	0.8
165.07021	1.3
166.07777	0.3
167.07207	0.7
167.08589	1.4
169.10115	0.5
171.08107	0.6
172.07545	3.9
172.11252	0.5
173.08331	8.9
174.09116	5.2
175.07523	0.9
175.09898	2.3
176.10649	0.4
177.05518	0.4
178.07790	1.2
179.08575	1.6
180.09328	0.6
181.04948	1.4
181.10167	1.3
182.09650	0.6
183.08118	0.4
183.11720	0.5
186.09122	0.7
187.07677	0.4
188.07043	0.5
188.10616	0.4
190.08569	0.8
191.08549	1.2
192.09177	1.8
193.10085	2.1
194.07686	0.3
194.10977	0.4
195.08107	0.6
195.10175	0.4
195.11713	0.8
196.11261	0.8
197.09682	0.6
198.09181	0.5
200.10548	0.3
202.07874	0.4
203.08539	0.8
204.09270	1.6
205.10214	1.3
206.10902	1.1
207.08253	0.4
207.11713	1.9
208.08936	0.5
208.11147	0.5
209.09628	0.5
209.13304	1.0
212.10750	0.7
215.08646	0.7
216.09470	1.6
217.10143	0.9
218.07359	0.5
218.10924	0.8
219.08199	0.4
219.11644	1.6
221.09711	0.5
221.13240	1.1
222.12659	0.4
223.11137	0.6
224.10852	0.4
229.10226	0.5
231.08083	0.4
231.11700	1.2
232.08960	0.3
233.09590	0.9
233.13263	0.7
234.10535	0.4
234.12804	0.4
235.09399	0.5
235.11430	0.6
236.10721	0.5
237.09148	0.3
237.12701	0.9
238.12250	0.6
246.12810	0.9
247.11174	0.9
247.13539	0.5
248.14464	0.4
249.12653	1.2
249.15080	0.3
250.12286	0.9
250.16032	0.4
252.13802	0.3
254.11697	0.3
259.11127	0.8
260.14227	0.5
262.12289	0.3
262.15854	0.6
264.13858	0.9
265.12146	0.4
272.14474	0.5
274.12405	0.6
275.13062	0.6
277.11984	0.3
278.12369	0.5
278.15424	1.2
279.16232	0.4
280.13928	0.3
280.16882	1.3
288.13821	0.4
290.15326	2.1
292.13400	0.4
306.14905	1.1
307.15518	0.4
308.16440	4.8
318.14774	1.3
326.17392	1.6
336.15863	3.1
354.16769	2.3
368.18811	0.4
372.18091	2.5
373.18311	0.3
396.18134	0.6
414.19229	1.4
415.13892	0.4
448.20773	0.4
458.19504	1.4
476.20810	1.4
518.21729	0.4
524.29962	0.3
536.22711	4.4
537.22876	0.3
598.24249	3.2
599.24603	0.4
603.64514	0.3
658.26221	100.0
659.26550	9.7
686.98859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02365	2.0
53.03942	2.4
55.01872	0.3
56.05014	0.4
58.06598	0.7
67.05476	0.4
68.82479	0.3
69.72450	1.4
70.06598	0.3
71.38863	0.3
74.57323	0.3
76.16383	0.3
77.03912	3.2
79.05035	0.4
79.05463	0.7
81.03396	0.4
81.58571	0.3
82.06562	0.3
91.05460	1.1
93.07034	0.6
94.06551	0.7
95.04953	14.2
96.08124	0.8
105.03378	67.8
105.04405	5.4
105.06987	1.7
106.03723	1.2
107.04920	0.4
107.08543	0.5
108.08109	1.0
108.49346	0.4
110.06020	1.3
112.07566	0.7
114.61641	0.3
115.05441	0.5
117.06995	0.9
119.04890	0.6
119.08505	0.6
120.08097	0.5
121.06500	0.7
123.06803	0.6
124.07599	1.0
129.06984	0.9
131.07297	0.6
131.08562	0.6
132.08067	0.8
133.06497	0.5
134.09653	0.7
139.21919	0.4
141.06926	0.5
143.08569	0.6
144.08012	0.7
145.06464	1.0
145.08917	0.5
146.09560	2.2
147.06860	0.5
147.08057	0.6
148.07579	1.4
148.11215	0.4
155.08487	0.7
157.08842	10.1
158.09615	1.3
160.07549	1.5
161.06073	0.4
161.28154	0.4
162.09166	1.1
164.10677	0.5
165.06909	0.4
167.08548	1.0
169.10178	0.4
172.07480	2.0
173.08324	3.3
174.09116	5.5
175.09761	0.4
176.10690	0.7
178.07669	0.7
179.08521	1.1
180.09251	0.4
181.08742	0.4
181.10149	0.6
186.09151	0.7
188.10622	0.5
191.08470	0.7
192.09232	0.6
193.10086	1.0
194.09544	0.5
195.08105	0.6
195.11815	0.5
196.26195	0.3
198.09167	1.1
200.10651	0.5
203.08388	0.7
204.09349	1.1
205.10118	1.4
206.11087	0.3
207.08034	0.4
207.11729	0.9
209.13361	0.5
216.10164	0.5
218.10904	0.5
219.08023	0.5
219.11635	1.0
221.13243	0.6
224.10712	0.7
231.11592	0.8
232.08754	0.5
235.11252	0.5
237.12799	0.8
247.11241	0.6
249.13004	0.6
250.12286	0.4
262.15909	0.8
264.13873	0.5
266.11792	0.6
272.14328	0.5
274.12332	0.4
276.13843	0.5
278.15402	0.8
280.16840	0.5
288.13730	0.8
290.15369	2.2
292.13214	0.5
298.51178	0.4
303.12979	0.6
306.14825	0.8
308.16397	1.8
318.14774	0.9
324.15982	0.9
326.17548	1.1
327.05872	0.4
336.15863	2.0
354.16977	3.1
372.18121	3.3
384.18085	0.5
396.18021	0.6
405.76865	0.4
414.19153	1.4
476.20782	3.2
517.04834	0.4
518.21802	0.7
536.22705	7.0
537.22943	0.6
640.25012	0.9
658.26324	100.0
659.26660	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	658.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75702	0.6
53.03959	0.7
55.05499	0.7
56.05010	1.2
57.03418	2.3
58.06591	14.8
61.02925	2.3
65.03964	0.6
67.05479	0.8
69.03422	9.0
70.06593	2.0
71.04986	1.9
72.08150	2.2
73.02933	1.4
73.97710	0.5
75.04470	1.3
79.05502	0.8
79.15176	0.6
81.03410	3.2
83.04951	0.7
85.02885	9.0
86.09721	0.8
87.04472	2.0
87.56770	0.6
91.05440	3.7
93.07047	1.0
94.06580	0.9
94.65346	0.6
95.04984	0.9
96.08129	4.3
97.02851	4.2
99.04425	0.8
103.05489	0.6
105.07041	2.0
107.04946	1.7
108.08103	3.3
109.02883	1.5
109.06489	1.1
110.09692	1.1
111.04475	0.6
115.05350	1.0
117.07017	1.7
119.04938	1.0
121.06530	0.8
122.09646	1.1
125.06004	0.7
127.03933	1.8
129.07021	2.4
131.08548	1.1
133.06497	0.8
135.08054	1.2
137.05969	2.1
138.09169	1.7
140.07019	0.7
141.06949	1.0
143.08571	1.4
145.06491	1.9
147.04427	0.7
147.08020	1.3
152.07045	0.8
152.10751	1.3
153.07018	1.5
155.08536	1.2
159.08037	1.5
160.11226	0.8
161.05814	0.6
161.09549	0.8
165.06978	1.6
167.08578	1.8
171.08080	1.2
177.05493	1.0
177.09140	1.1
178.07779	0.8
179.08551	1.9
181.10181	1.1
183.08083	0.9
184.11198	1.5
185.09743	0.8
191.08614	1.2
193.10167	1.7
195.11806	0.9
202.07787	0.8
202.12158	0.6
203.08769	0.7
204.09477	0.9
205.10098	1.4
207.11742	0.7
209.09669	1.0
217.10129	0.8
219.08229	0.7
219.11792	2.1
221.09628	1.3
221.13297	1.0
223.11116	0.7
232.08659	0.7
233.09637	0.7
237.12708	0.7
247.11287	2.5
265.12201	0.9
278.15323	0.9
292.16983	0.6
304.16876	1.3
309.07849	0.8
310.18246	0.8
322.17947	0.9
336.19604	1.9
368.22226	1.8
386.23276	0.7
396.21695	2.6
414.22861	2.7
428.24149	3.6
446.25406	6.2
460.26801	3.7
464.26553	2.7
478.27838	3.7
502.95004	0.6
608.30676	1.4
626.31097	1.4
640.33081	13.1
641.33832	0.9
658.34229	100.0
659.24799	1.3
659.34619	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	658.415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04803	1.0
52.16412	1.0
53.03936	1.5
55.01850	1.3
55.05504	12.5
56.40422	0.9
57.03427	14.2
57.07055	1.4
59.04981	4.0
60.31680	1.0
61.02916	5.2
61.21418	1.0
65.03918	1.6
67.05495	100.0
69.03423	1.2
69.07049	7.2
70.70907	1.4
71.04979	4.1
73.02930	1.5
77.24633	0.9
79.05482	32.7
81.07044	36.9
83.04931	1.5
83.08607	8.4
85.02904	4.6
85.06542	4.1
86.51728	1.2
91.03932	3.0
91.05466	17.7
93.07033	35.2
95.04948	4.4
95.08591	22.6
97.02887	2.1
97.06518	3.2
99.08084	2.1
105.06998	8.1
107.08576	16.9
109.10137	75.9
111.08054	2.9
112.15089	1.0
117.07002	3.4
119.08555	11.2
119.14716	1.0
121.10133	17.9
123.11666	4.2
124.04388	1.0
125.09583	1.4
131.08565	7.1
133.10088	7.4
135.08095	1.2
135.11661	16.0
137.09612	2.4
145.10048	5.7
147.11670	5.2
147.16646	1.0
149.09650	1.2
149.13181	5.7
155.10641	4.9
159.11626	5.4
161.13264	2.0
163.14882	1.4
173.11729	17.7
173.13240	4.1
189.11301	1.2
205.19380	1.1
215.17885	16.3
227.12816	2.6
229.14313	80.9
230.14815	1.7
233.18945	19.9
234.19598	1.1
307.22629	69.0
308.22974	2.5
369.27795	1.4
461.32526	48.4
462.32831	3.5
479.33627	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.05505	5.8
57.03428	7.8
57.07056	1.6
60.61937	0.6
61.02922	2.9
63.44132	0.6
65.03912	0.8
66.67803	0.6
67.05495	17.7
69.03439	0.6
69.07050	4.7
71.04973	0.6
71.07585	0.5
71.08607	1.3
79.05484	18.4
81.03432	0.5
81.07044	100.0
82.07383	1.3
83.04974	1.3
83.08611	2.0
85.02888	2.3
85.03376	0.6
85.06529	1.2
85.10145	0.7
89.06027	0.7
91.03957	1.1
91.05457	6.6
93.07034	14.1
94.81667	0.6
95.04953	2.5
95.08594	13.9
97.02912	1.4
97.06524	1.4
97.10112	0.7
99.08082	4.8
103.03979	0.8
103.44247	0.7
105.07030	4.2
107.08586	8.4
109.06511	2.5
109.10149	5.9
111.87794	0.7
117.06997	2.5
119.08550	3.4
121.10129	6.7
123.11690	2.0
126.29314	0.6
127.07544	10.6
131.08546	3.7
133.08630	0.8
133.10104	2.9
135.11665	3.5
145.08586	4.8
145.10100	2.6
147.11676	2.3
149.13240	4.0
159.11699	2.2
161.13258	2.1
163.14780	2.0
173.13210	2.8
175.14871	0.7
187.14784	1.2
199.09662	2.7
201.11189	53.5
202.11604	0.7
219.58975	0.5
243.21059	3.9
259.20746	0.7
261.22070	12.7
261.24582	1.1
317.24988	1.1
335.25742	39.4
336.26089	1.4
369.28085	1.4
461.32535	15.5
479.33661	1.8
648.58887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
53.53549	0.6
55.01863	1.3
55.05505	13.3
57.03429	14.6
57.07074	2.7
59.04994	4.2
61.02921	5.2
65.03931	1.8
67.05498	100.0
68.05838	1.5
69.03422	2.3
69.07056	8.3
71.04989	4.2
73.02914	1.3
73.46631	0.7
73.71362	0.7
79.05486	35.4
80.05836	1.0
81.03439	1.9
81.07048	39.7
82.07399	1.0
83.04983	1.8
83.08610	10.9
85.02911	4.2
85.06536	5.2
85.61432	0.7
89.36671	0.6
91.03948	2.1
91.05469	20.4
93.07033	36.5
95.04966	6.3
95.08593	22.9
96.08907	0.7
97.02880	2.3
97.06534	2.1
97.10165	2.0
99.04413	0.9
99.08061	3.5
101.37466	0.7
105.04510	1.1
105.07008	9.7
107.04927	1.4
107.08579	16.3
107.09248	1.3
109.06528	3.2
109.10143	70.9
110.10485	0.8
111.08062	3.7
113.09636	0.8
117.07003	4.1
118.07413	0.8
119.08578	11.2
121.06486	0.9
121.08811	0.9
121.10129	19.3
121.10961	1.0
123.08059	1.5
123.11696	4.1
125.09608	2.1
127.03923	1.0
129.06989	1.7
130.07726	0.7
131.08559	8.5
133.10112	8.7
134.10550	0.8
135.08066	0.9
135.11684	16.1
137.09610	4.0
137.13235	1.1
139.11162	0.9
143.08580	1.0
145.10103	6.5
147.11664	5.0
149.09648	2.2
149.13228	5.8
151.11212	1.1
155.10637	5.3
157.10126	0.7
159.11694	4.8
161.13246	1.7
163.11197	1.6
171.87566	0.7
173.11749	18.0
173.13254	4.8
175.14880	1.4
177.12721	0.9
187.14807	1.9
189.11130	1.2
201.11240	1.1
205.19498	2.1
215.17915	14.6
215.19701	1.1
227.12822	3.2
229.14319	70.1
230.14726	1.2
233.18971	17.0
273.18497	0.9
275.20050	2.1
289.21692	1.0
291.19586	1.8
292.19815	1.2
307.22635	66.8
308.23123	2.4
346.11758	0.7
369.15195	1.3
369.27994	1.2
370.15399	1.7
461.32568	46.1
462.33005	2.8
479.33734	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05504	9.7
57.07066	54.5
63.94187	0.9
65.03941	1.3
67.05498	13.9
69.03413	1.2
69.07060	14.5
71.04984	1.8
71.08620	53.3
71.43404	1.3
73.02877	1.4
73.06548	7.9
79.05480	13.6
81.03401	2.6
81.07049	21.1
82.07381	1.9
83.04968	3.0
83.08607	7.2
85.09687	2.1
85.10168	29.1
87.04455	10.6
89.06017	100.0
91.05475	8.8
92.05785	1.6
93.07021	9.8
94.07349	1.1
95.04964	6.6
95.08595	7.1
97.06502	1.9
97.10139	5.3
99.04449	1.1
99.11718	6.6
105.07019	7.5
107.04978	2.8
107.07057	2.6
107.08572	7.5
109.06492	5.3
109.10137	4.4
109.65910	1.0
111.04399	1.5
111.08089	1.8
111.11680	5.0
113.13280	3.7
117.07003	4.0
117.09100	7.1
119.08569	4.6
121.06482	2.0
121.10130	4.1
123.08083	2.1
123.11648	1.1
125.09590	2.4
125.13252	2.8
127.14806	3.6
129.07019	2.8
130.08604	1.8
131.07043	3.0
131.08536	5.1
133.08583	62.0
133.10040	5.6
135.07985	1.7
135.10097	1.7
135.11659	3.6
137.09625	1.1
145.10103	4.4
147.11691	4.5
149.09575	3.7
149.13188	1.3
159.11626	2.6
161.09570	1.3
161.11700	1.5
161.13208	1.2
163.11169	3.5
164.73878	1.0
165.12749	1.4
173.13260	1.8
175.09650	2.1
177.11209	23.2
193.12234	2.4
194.12671	1.0
201.11050	1.4
221.13774	6.1
223.13202	2.6
227.23598	2.4
239.15021	2.0
265.16571	2.1
271.26413	4.7
273.18597	2.3
275.19965	7.5
283.17499	3.5
284.43030	1.0
291.19498	3.2
292.19904	2.8
293.21100	5.8
315.28943	3.4
327.20059	1.9
335.25635	1.7
349.23590	2.4
350.23819	1.3
353.21759	1.2
367.24960	1.5
391.84006	1.1
459.27823	5.9
640.43365	2.1
641.47125	4.8
658.42352	1.3
658.51764	2.0
659.44739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.9
57.07068	53.6
67.05495	9.1
69.07067	11.2
71.08624	49.3
73.06538	8.7
73.49553	1.4
79.01759	1.3
79.05479	8.5
79.94482	1.4
81.07037	13.8
82.07394	2.1
83.04947	2.2
83.08611	6.9
85.10167	28.8
86.90948	1.5
87.04457	7.9
89.06021	100.0
91.05463	4.6
91.07579	2.3
93.07032	7.3
95.04929	3.7
95.08586	6.3
97.10157	4.8
99.11741	7.7
105.07028	2.9
107.07050	2.4
107.08591	4.3
109.06518	2.5
109.10123	4.8
111.11684	2.0
113.13262	5.5
117.09110	10.3
119.08563	4.0
121.10127	2.4
123.11623	1.6
125.13258	3.5
127.14789	2.4
129.06924	1.7
131.07007	2.8
131.08531	2.6
133.08588	68.7
133.10135	3.9
143.08606	1.9
145.10097	2.4
161.11685	3.2
163.11099	1.6
175.09563	1.8
177.11215	29.9
186.13751	1.7
201.11157	2.2
221.13815	6.7
229.14052	1.9
271.26224	4.8
273.18414	2.3
275.20120	3.3
276.20343	1.9
291.19669	2.4
307.22659	1.7
315.28809	4.4
335.25537	3.6
459.27731	4.4
640.42175	1.8
641.48578	7.7
658.39154	8.6
658.50336	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	659.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64021	1.3
53.03947	3.4
55.01865	10.2
55.05505	27.2
57.03428	10.5
57.07067	6.0
61.02912	1.4
61.89638	1.2
62.46332	1.1
65.03935	4.3
67.05498	49.7
69.03419	3.9
69.07064	17.5
70.46320	1.1
71.04990	2.6
71.08625	2.4
79.05486	51.3
80.05811	1.6
81.03412	7.7
81.07048	100.0
82.07367	6.9
83.04960	11.4
83.08614	15.5
85.02906	4.4
85.06551	3.7
85.10184	10.4
89.06026	1.7
91.05470	38.0
93.07033	36.6
94.07360	2.5
95.04957	23.4
95.08596	28.0
96.08939	1.8
97.06522	4.7
97.10172	10.5
99.04453	1.9
99.08103	4.0
103.05470	2.2
105.04522	2.3
105.07017	30.6
107.04961	8.4
107.08578	22.2
108.08938	1.3
109.06504	17.8
109.10144	18.4
109.10860	1.7
111.04414	10.3
111.08069	8.4
113.06031	1.4
113.09635	8.9
115.05415	2.2
117.07004	12.5
119.08566	30.5
121.06511	7.2
121.10137	15.4
123.08055	11.8
123.11713	3.3
125.09618	11.9
127.07571	3.4
128.06230	2.3
129.05513	1.7
129.06990	7.5
131.08559	16.3
133.06485	2.7
133.08589	1.4
133.10121	16.5
135.08061	6.2
135.11670	11.1
135.97069	1.1
137.09624	5.4
139.11150	2.0
141.06976	2.3
141.28448	1.2
142.07802	2.2
143.08546	7.2
145.08548	1.9
145.08838	1.9
145.10117	21.3
146.10492	1.7
147.08072	6.7
147.11668	10.8
149.09607	9.7
149.13289	4.3
151.11176	3.8
153.09077	2.1
153.12749	4.1
155.08563	3.2
157.10097	7.2
159.07988	1.6
159.11684	9.6
161.09613	7.1
161.13243	7.1
163.11140	11.3
163.14810	1.5
165.09116	4.6
165.12711	10.2
167.08563	1.9
169.10161	4.0
171.10310	1.6
171.11649	5.5
173.09647	2.7
173.13277	5.3
175.11165	3.6
175.14816	3.0
176.94112	1.3
177.12718	1.6
181.12245	5.3
183.11674	2.8
185.13284	4.7
189.11211	9.2
189.12645	2.3
191.10680	3.0
193.10411	1.4
193.12206	3.0
195.11696	2.2
197.13268	1.4
199.11276	1.5
199.14847	2.3
201.11200	13.3
201.12764	1.8
202.11598	4.4
205.12231	1.4
211.14870	1.6
213.16370	1.9
223.13293	4.2
227.12645	7.9
227.17938	1.4
229.14182	2.4
231.20995	1.4
241.19418	5.6
245.18988	1.4
249.14845	1.5
255.17377	4.0
257.18927	2.9
259.20557	10.3
261.22177	1.9
262.22498	1.6
273.18457	19.6
273.51437	1.5
275.19974	11.4
276.20432	1.5
277.21585	11.7
291.19501	48.4
293.21136	3.8
295.22598	14.3
307.22900	1.3
309.20612	4.5
333.24176	9.4
335.25671	5.7
336.26151	8.0
347.22159	4.6
349.19867	1.3
349.23529	6.3
351.25342	7.3
365.23288	6.3
367.24677	2.1
383.24228	2.7
462.32959	2.9
531.38184	1.4
561.37128	1.5
623.42957	8.8
641.44360	12.8
659.45477	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	659.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
54.52822	0.7
55.01861	12.0
55.05501	32.1
57.02792	0.8
57.03428	5.6
57.07074	3.4
59.05001	1.6
65.03943	4.0
67.05492	54.3
68.05850	1.1
69.03434	3.5
69.07056	25.7
69.08118	2.1
69.08530	4.1
69.31909	0.7
71.04982	6.1
71.08636	3.1
77.03941	1.5
79.05479	51.0
80.05844	1.1
81.03400	5.6
81.07043	100.0
82.07385	1.7
83.04967	14.6
83.05418	0.9
83.08610	23.3
83.09082	1.5
85.02924	2.8
85.06553	3.4
85.10192	2.6
87.04470	1.0
89.06017	9.5
89.06516	1.1
91.05461	37.2
92.05792	1.2
93.07026	40.3
95.04952	48.7
95.08582	34.7
97.06516	10.1
97.10157	8.1
99.04418	6.7
99.08096	3.7
103.05480	1.8
105.04544	2.8
105.07011	39.5
107.04935	14.0
107.05558	1.1
107.08575	35.2
109.06503	23.4
109.07198	1.5
109.10136	16.2
111.04417	10.0
111.08053	8.4
111.11737	0.9
113.05992	1.8
115.05464	1.5
117.06992	12.9
119.08555	31.3
120.08909	1.1
121.06506	7.7
121.10120	23.7
121.10937	1.4
122.10609	1.0
123.08049	9.0
123.11678	7.8
125.05956	1.3
125.09611	8.5
127.07590	0.9
129.06987	5.3
130.07809	1.4
131.08543	17.6
131.09422	1.6
133.06528	1.8
133.08626	3.2
133.10094	17.0
133.10979	1.2
134.10556	1.2
135.08012	7.6
135.11678	9.1
137.09624	5.3
137.13295	0.9
139.11238	2.0
141.06989	2.1
143.08582	3.7
145.06543	1.1
145.10101	18.0
145.11163	1.2
147.08095	3.5
147.11665	21.8
149.09601	21.8
149.13246	6.3
151.11240	3.6
153.09155	1.9
155.08583	1.5
157.10092	5.1
159.11659	11.5
161.09689	3.2
161.13329	3.6
161.28641	0.9
163.11154	23.5
163.12369	1.3
163.14888	1.9
165.12746	7.2
167.10652	1.2
169.10207	3.2
171.10425	1.3
171.11674	4.5
173.09668	2.8
173.12015	0.8
173.13254	4.1
175.11241	2.6
175.14891	1.0
177.11232	1.9
177.12817	5.6
179.14459	2.4
181.12256	1.5
183.11804	1.1
185.13261	1.9
187.11247	3.9
187.14850	2.3
189.11197	8.4
189.12654	1.5
191.10808	1.4
191.14297	1.9
193.12335	2.5
197.13324	2.1
201.12770	1.5
205.12105	4.2
207.13901	1.4
215.17931	1.3
217.16025	1.1
219.13791	1.0
223.13249	38.0
227.12785	1.6
229.19530	6.0
239.18105	3.8
247.20537	5.2
257.18964	9.2
267.15860	2.2
273.18665	1.3
275.20013	77.0
276.20560	3.1
289.18106	1.1
291.19626	1.8
292.20096	1.2
293.21042	30.6
294.21411	1.0
311.22107	1.1
331.22748	2.1
349.23657	27.4
365.23288	1.2
367.24728	11.2
473.22498	0.9
513.36182	1.1
515.34198	1.2
613.43396	0.9
623.42688	4.7
641.43951	15.2
659.45264	28.5
660.45648	1.5
663.04645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.01857	16.3
55.05502	60.5
57.03419	8.1
57.07058	2.8
64.29649	1.4
65.03918	6.2
67.01816	1.2
67.05492	81.2
68.05833	3.3
69.03423	4.0
69.06702	2.7
69.07056	31.5
69.08787	8.8
71.04971	6.7
71.08578	1.6
77.03909	2.6
79.05477	64.2
79.05944	3.1
80.05798	2.2
81.03410	8.0
81.07041	79.5
82.07356	3.3
83.04960	21.1
83.08604	47.7
85.02904	4.9
85.06519	5.2
91.05462	60.6
92.05766	1.4
93.07022	61.9
95.04340	3.0
95.04950	62.4
95.08590	46.1
97.02874	2.2
97.06532	11.6
97.10162	13.3
99.04461	6.9
99.08067	4.9
103.05454	1.8
105.04516	3.0
105.07004	51.3
107.04929	21.3
107.08574	45.7
109.06509	17.8
109.10134	32.5
110.10479	2.4
111.04426	13.5
111.08052	12.8
115.05476	2.7
116.06275	2.4
117.07011	20.5
119.07729	3.0
119.08556	37.9
120.60606	1.3
121.06494	10.2
121.10117	31.2
123.08046	10.8
123.11667	6.9
125.05997	1.5
125.09608	13.2
128.06224	2.5
129.06958	9.1
130.07779	2.2
131.08542	25.4
133.06448	1.8
133.10103	34.7
133.11113	1.9
134.10449	1.6
135.08025	9.6
135.11668	15.3
137.09633	7.0
139.11150	4.8
141.06952	2.5
143.08553	6.3
143.10619	1.4
145.06445	1.6
145.10094	29.2
147.08078	7.9
147.11646	22.2
149.09587	34.8
149.13243	5.5
151.11176	6.4
153.08980	2.6
153.12735	1.7
154.07768	1.5
155.08554	4.4
157.10085	6.3
159.08006	1.9
159.11652	15.8
161.09630	4.4
161.13170	6.6
163.11156	42.1
163.14803	1.6
165.09085	2.7
165.12721	6.9
167.10658	1.7
169.10120	4.0
171.11644	5.6
173.09515	4.5
173.11797	2.9
173.13239	9.4
175.11159	3.8
175.14854	2.3
177.12730	5.4
179.10693	2.3
179.14311	1.5
181.12219	2.8
183.11632	4.2
185.13264	2.0
187.11169	4.9
187.14745	2.9
189.09595	2.2
189.11177	10.0
189.12650	2.5
191.10658	2.8
191.14333	2.6
193.12242	2.9
197.13219	2.7
201.12657	2.7
203.17915	1.4
205.12193	6.8
207.13702	2.0
211.13197	2.5
213.16344	2.2
215.14290	1.6
215.17957	2.4
223.13242	48.1
227.12604	2.8
229.14278	7.0
229.19473	6.0
230.14848	2.0
239.17961	7.5
247.20572	4.3
257.18936	16.3
259.20462	1.5
273.18463	2.5
275.20007	100.0
276.20401	3.6
277.21555	2.6
291.19510	3.7
293.21017	41.7
307.22662	3.4
308.22870	2.3
331.22424	1.9
333.24307	2.2
349.23660	48.6
350.24069	2.5
365.23578	2.2
367.24634	14.6
462.33023	2.8
493.90762	1.6
549.39514	1.4
600.07947	1.6
623.43048	8.0
641.21741	2.9
641.43921	18.3
659.45343	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03944	3.2
55.01861	16.6
55.02100	1.3
55.05500	57.1
57.03426	7.1
57.07084	2.2
59.04998	1.1
65.03938	5.2
67.05493	56.9
69.03432	4.0
69.07054	33.1
69.07437	1.1
70.06586	1.0
71.04984	10.2
71.08627	1.1
77.03940	2.0
79.05477	57.2
81.03404	10.0
81.07043	58.2
83.04492	0.7
83.04965	25.6
83.08606	39.1
85.02885	7.1
85.06549	4.0
85.55468	0.9
91.05466	47.6
93.07026	54.3
95.04952	100.0
95.08590	29.7
96.05282	1.9
97.02911	1.0
97.06508	8.9
97.10153	19.9
99.04442	15.7
99.08093	3.3
101.05972	1.1
102.09201	1.1
103.05493	1.4
105.04522	2.6
105.07013	41.4
107.04933	16.2
107.08575	52.8
109.06499	14.7
109.10143	20.4
111.04418	23.2
111.05128	1.7
111.08061	9.9
113.06043	2.0
114.12035	1.0
115.05453	1.3
117.06994	17.2
119.08559	31.4
121.06481	10.2
121.07143	0.9
121.10123	32.1
123.08044	12.2
123.11739	3.5
125.06026	2.9
125.09604	20.5
128.06226	1.5
129.06976	7.4
129.07803	0.8
129.09132	0.9
131.05032	0.9
131.08546	23.5
133.06514	2.5
133.10110	22.6
135.08035	9.4
135.11662	13.6
137.09589	4.5
139.07498	0.9
139.11165	4.9
141.07045	2.7
143.08562	5.2
145.06566	1.5
145.10100	30.8
146.10472	1.2
147.08025	7.0
147.11655	14.8
147.12662	1.2
149.02357	1.7
149.09595	37.0
149.13164	5.0
151.11212	2.8
153.09131	2.0
153.12790	2.7
155.08594	3.7
157.10109	7.0
159.11662	14.6
160.11922	1.1
161.09694	4.1
161.13248	7.0
163.11154	39.6
165.12715	5.1
167.10785	2.0
169.10115	5.0
171.10201	2.3
171.11774	4.7
173.09509	1.7
173.11835	1.9
173.13309	6.1
175.11215	3.7
175.14908	1.7
177.12688	4.8
181.12274	4.3
183.11746	2.6
185.13353	2.5
187.11160	5.9
187.14865	1.9
189.11188	16.0
189.12698	1.3
191.10744	3.4
191.14299	1.7
193.04939	1.2
193.12341	4.0
195.11815	0.9
197.13348	3.0
199.14902	1.5
201.16420	1.2
205.12195	10.6
207.13849	1.9
211.13214	1.8
223.13246	85.5
224.13680	2.0
227.12732	4.4
229.19583	4.9
239.18001	4.3
241.19531	2.6
247.20723	3.8
257.18936	12.0
257.21204	0.9
259.20718	3.6
273.18576	3.2
275.20010	89.9
276.20520	3.3
291.19464	6.8
293.21045	53.6
294.21603	1.8
315.23315	1.2
331.22888	1.3
333.24332	4.5
346.04584	0.9
349.23694	32.7
365.23315	3.1
367.24753	14.2
383.24298	2.3
425.14517	1.1
430.12430	1.4
465.18381	1.0
563.89166	1.0
596.81500	1.1
623.43048	3.2
641.43970	18.2
642.44684	1.2
659.45245	54.2
660.44891	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48579	0.6
52.81770	0.5
58.06580	1.1
67.05492	0.8
68.05017	0.6
69.03417	1.2
70.06583	100.0
71.06918	0.7
77.53921	0.6
81.03384	1.2
85.02864	0.8
88.33900	0.5
91.05459	1.2
94.04179	0.6
97.02895	0.8
109.02858	4.9
110.86463	0.5
112.07590	94.5
113.07939	1.3
114.05480	0.7
116.07071	2.1
122.03583	0.6
127.03887	0.9
132.43878	0.5
137.05975	9.3
140.07043	62.5
141.07402	0.9
149.06062	0.6
157.06372	0.5
158.08110	10.1
160.05170	0.8
164.07123	0.6
172.05147	1.1
174.06747	0.9
175.07565	2.9
177.05409	0.9
187.07518	6.2
189.09113	1.2
199.73676	0.6
205.08536	0.6
212.09061	0.7
217.08531	1.3
219.07780	0.7
224.09134	0.7
230.10263	1.2
247.07510	0.9
266.10223	4.4
276.07773	0.8
279.10107	1.3
284.11237	10.9
291.09961	1.8
301.16318	1.3
302.12161	1.9
311.12790	2.9
323.12830	2.7
341.13705	4.5
660.23450	0.9
660.29517	0.7
661.24091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03949	1.1
54.09528	0.5
58.06586	2.1
69.11961	1.9
69.12363	1.2
71.05014	0.5
77.03922	2.2
79.05475	1.2
81.03414	0.8
84.15112	0.4
85.02901	1.1
91.05451	2.3
94.06565	1.5
95.04956	10.2
105.03379	63.4
105.04519	3.4
105.07052	1.2
106.03732	0.9
107.04931	0.9
108.08132	1.8
109.06493	1.6
110.09711	0.6
115.05471	0.6
117.07014	2.2
120.08109	0.9
122.09663	0.5
128.06198	0.7
129.06999	2.5
131.08572	1.8
137.06007	0.8
141.06960	0.8
143.08519	0.6
144.08075	0.5
146.09622	0.6
147.04436	0.5
148.07550	0.7
148.71304	0.6
155.08525	0.6
157.08949	0.5
158.09561	0.9
160.07584	1.4
160.11082	0.6
162.09074	0.5
166.08687	1.4
167.08585	1.1
170.09636	0.7
171.08069	0.9
172.11209	1.3
174.05467	0.6
179.08530	1.0
181.06429	0.5
181.10107	0.9
183.08127	0.9
190.07979	0.6
191.08630	1.1
195.08022	0.8
203.08578	0.9
205.10202	1.0
207.08199	0.6
208.11145	0.7
209.09538	0.9
213.09056	0.6
217.10089	0.7
218.07333	0.6
232.13388	1.1
233.09677	1.3
237.09123	0.5
245.09633	0.6
250.12381	0.6
251.10617	1.0
254.12048	0.5
261.09125	0.8
261.12180	0.5
279.10141	0.7
354.17068	1.1
382.16455	6.9
396.18018	2.0
418.22299	1.9
436.21149	0.8
448.20584	0.5
480.23856	1.0
490.22855	0.8
508.23178	1.0
522.25250	0.6
536.22595	0.8
540.25787	3.6
550.24823	1.2
568.25287	1.9
600.28040	13.1
601.28619	0.9
610.26337	0.7
634.40125	0.6
660.30029	100.0
661.30328	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	660.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.3
53.03947	3.0
71.04986	1.0
75.04462	2.8
77.03920	3.6
79.05506	1.2
80.04984	0.7
85.02906	3.2
91.05482	1.8
94.06531	1.1
95.04957	12.8
105.03382	100.0
105.04393	5.7
105.07008	1.2
106.03698	1.2
109.06529	1.7
111.08060	1.7
115.05440	0.8
117.07040	1.3
119.04908	0.7
120.83882	0.6
121.06524	1.4
124.07561	1.2
128.06204	0.8
129.06998	2.1
131.08542	1.5
133.02824	1.2
135.08075	0.9
137.05971	1.3
138.09117	1.3
141.07022	1.1
143.08609	0.6
145.06422	0.9
146.06059	0.7
149.81163	0.6
153.06969	0.8
155.08539	0.9
156.08067	0.9
158.09657	1.3
159.08040	1.7
160.07602	0.7
167.08574	2.0
168.08107	0.7
169.06474	0.6
170.09666	0.9
171.08034	0.8
178.07787	1.4
179.08557	2.5
190.07762	1.5
191.08578	1.1
193.10117	1.9
194.09645	1.4
195.08083	1.2
197.09608	1.2
202.07831	0.8
203.08578	1.7
205.10114	3.8
206.09575	1.2
207.08052	0.9
207.11710	0.9
209.09595	0.8
215.08617	1.2
217.10287	1.0
219.08022	1.3
221.09630	1.3
231.10347	0.7
233.09642	3.4
234.12744	0.8
235.07634	0.8
235.11351	1.3
236.10464	0.7
244.11150	0.6
245.09770	1.3
248.10449	0.8
251.10626	0.8
258.95230	0.8
261.09027	1.6
262.12311	1.4
278.11667	0.9
292.13486	0.7
293.11722	1.5
294.15030	0.9
322.14529	1.1
325.14471	1.2
354.17038	1.3
444.17963	1.2
476.20709	2.5
508.23291	2.4
522.25134	0.8
536.22601	3.7
540.25958	2.2
568.25183	3.8
600.28101	10.8
660.30029	99.3
661.30664	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	660.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
56.05010	2.6
58.06593	8.4
65.54868	1.4
67.05498	2.0
71.04963	1.3
72.08130	1.5
77.03924	1.2
79.05505	3.2
80.05017	1.4
81.03401	1.6
82.14749	1.0
82.54919	1.0
84.08118	1.4
84.10204	1.1
91.05488	4.3
93.07018	2.4
94.06557	1.6
95.04971	6.0
105.03378	33.7
105.04464	1.5
105.07015	3.9
107.04969	3.5
107.08560	1.5
108.08104	7.3
115.05468	1.2
117.07005	2.7
121.06470	1.5
121.08841	1.9
122.09641	10.6
123.04412	1.1
124.11247	1.9
128.06206	1.8
129.06989	4.4
131.08571	1.8
133.10052	1.8
141.06960	2.5
143.08557	1.6
153.06998	2.4
154.07794	1.2
155.08534	2.8
157.10120	1.6
167.08591	2.7
169.09976	1.2
171.70732	1.0
179.08600	1.7
186.12782	2.6
187.13719	1.3
191.08621	1.2
193.10092	2.0
203.08556	1.8
205.10078	1.2
212.14323	1.5
216.26451	1.0
221.13222	1.3
242.11809	1.5
244.13219	2.1
245.05524	1.1
262.21802	1.1
295.12021	2.1
295.16751	1.1
306.07712	1.4
306.18622	1.2
352.11795	2.3
366.20670	3.2
398.23257	3.6
488.24274	9.6
509.26575	1.2
520.26935	11.1
538.27924	8.9
600.27045	1.4
606.17230	1.5
616.19238	1.7
642.30212	2.6
646.22986	1.9
660.31519	100.0
661.32233	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	660.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01863	11.2
55.05500	9.5
57.03172	1.7
57.03427	16.4
58.06587	1.4
59.04979	2.2
61.02909	5.9
65.03915	1.2
67.05490	14.3
67.94165	0.9
69.03413	2.5
69.07040	2.8
70.51286	2.3
70.51627	1.3
71.01337	1.4
71.04984	1.7
73.02894	1.7
77.03893	1.0
79.05480	35.7
81.03407	12.9
81.07047	13.6
83.01331	13.5
83.04961	8.0
83.08593	6.8
85.02899	9.6
91.03928	3.1
91.05465	51.9
93.07027	27.6
95.04944	8.1
95.08593	5.0
97.02875	6.1
97.06519	3.1
97.10146	1.2
98.22745	1.1
98.43114	0.9
99.04461	1.9
105.03370	8.4
105.04475	1.6
105.07013	10.1
107.04934	10.3
107.08584	25.6
109.06483	7.0
109.10144	2.3
111.04436	2.3
115.05449	5.4
117.07001	42.7
118.07336	1.3
119.08575	5.9
121.06472	3.2
121.10138	5.5
123.08047	7.4
125.05975	1.1
125.09560	1.6
129.06982	1.6
131.08528	2.6
133.10135	1.6
135.08028	45.2
135.11667	10.1
136.08372	1.7
137.06001	1.1
137.09564	2.9
145.06419	1.6
145.10092	8.8
147.08064	1.4
149.09607	1.1
153.09073	2.8
153.12721	1.2
154.33888	1.1
163.07478	7.9
163.11165	16.4
164.11452	1.2
173.09599	2.6
181.08514	2.1
181.12221	2.4
191.10640	1.7
199.09663	2.5
209.11693	4.4
227.12732	3.9
233.16760	1.1
237.11046	1.1
238.04315	0.9
255.12236	100.0
256.12515	3.9
283.15356	96.1
284.15622	4.1
421.93478	1.2
463.23175	75.7
464.23584	4.8
567.80768	1.1
660.30646	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
53.78420	0.8
55.01865	4.4
55.05247	1.1
55.05500	13.2
57.03172	1.1
57.03428	12.1
57.07055	1.5
59.04980	1.7
61.02911	2.2
61.15702	0.6
64.26717	0.7
64.63472	0.9
65.03922	1.7
67.05493	27.0
69.03413	1.5
69.07059	7.8
69.79295	2.3
71.01334	2.9
71.04974	3.5
73.02902	1.2
78.82002	0.6
79.05479	29.8
81.03407	8.5
81.07046	18.5
83.01319	4.7
83.04971	9.8
83.08597	7.3
85.02882	3.8
85.06546	2.0
91.03925	1.3
91.05460	12.7
93.07029	35.2
95.04959	6.9
95.08582	7.6
97.02860	3.7
97.06519	9.6
97.10154	6.0
99.04422	1.1
99.08037	1.2
105.03369	1.3
105.04511	0.9
105.07023	6.9
107.04925	6.4
107.08575	20.1
109.06509	3.4
109.10155	2.9
111.04436	1.8
111.08073	2.1
117.06983	6.5
119.08575	6.8
121.06467	2.4
121.10118	6.4
123.08025	4.7
125.05952	1.8
125.09622	2.6
130.07747	0.7
131.04951	0.8
131.08545	2.2
133.10127	2.8
134.14583	0.7
135.08049	1.1
135.11664	34.6
137.09586	1.9
140.14607	0.7
142.81888	0.7
145.06500	1.1
145.10097	14.9
147.08011	1.0
153.12686	3.3
160.93643	0.7
163.11145	17.6
163.12437	1.3
173.09641	2.2
181.12216	8.1
191.10686	2.0
199.13254	1.6
209.11696	4.4
216.18051	0.7
227.10719	0.8
227.12614	3.8
255.15865	61.9
256.16245	1.1
265.14285	1.4
275.01672	0.7
277.38214	0.8
283.15350	38.8
445.25885	3.9
463.26819	100.0
464.27316	3.4
474.22046	0.8
589.33789	0.9
660.20367	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	660.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01869	3.6
55.05504	21.2
57.03431	13.3
57.07065	9.4
57.44351	1.6
59.04987	2.7
61.02924	3.6
65.03933	2.0
67.05495	100.0
69.07051	13.8
69.77172	1.6
71.04994	3.6
71.08615	6.6
75.04446	1.7
79.05476	17.1
79.13319	1.9
80.74174	1.5
81.03395	2.3
81.07047	59.2
82.07378	3.1
83.04957	3.7
83.08623	11.8
85.02887	6.0
85.06552	3.6
85.10188	4.1
89.06010	10.0
91.05463	17.3
93.07030	17.9
95.04969	8.9
95.08591	29.1
97.02866	2.6
97.06535	2.5
97.10170	4.3
99.08057	2.7
105.07016	12.9
107.04906	2.7
107.08584	13.2
109.06516	5.5
109.10138	68.8
110.10477	2.6
111.08076	4.2
117.06965	2.0
119.08571	11.9
120.08900	2.1
121.10124	6.2
123.11713	3.5
125.09583	2.3
125.30004	1.9
131.08565	3.1
133.08592	5.7
133.10098	8.3
135.07994	2.4
135.11653	5.1
137.09595	3.7
145.10052	2.8
147.11690	8.2
149.09602	2.5
150.09982	1.9
155.10703	4.8
161.13232	3.0
163.11154	4.2
165.12790	2.5
173.11732	16.5
177.11134	2.8
189.11237	2.2
217.19424	5.4
223.13239	3.4
229.14325	91.1
235.20543	7.3
267.16074	2.1
275.20053	8.0
276.20413	7.4
293.21179	4.8
309.24170	74.5
310.24518	3.6
350.24146	2.5
463.34128	66.1
464.34479	4.0
519.39764	2.8
602.28021	2.1
642.43817	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	660.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01876	2.9
55.05502	10.3
55.05725	1.7
57.03430	1.5
57.07067	23.2
62.78531	1.1
65.03919	1.2
67.05494	15.1
68.05816	1.9
69.07054	8.5
70.24990	1.1
70.94521	1.2
71.04967	2.0
71.08621	23.0
73.00162	1.1
73.06546	9.6
79.05491	15.5
80.05814	2.1
81.03407	2.4
81.07045	26.4
82.07385	2.5
83.04987	2.6
83.08614	9.1
85.02873	1.5
85.06543	1.5
85.10174	22.9
86.09527	1.2
87.04446	9.2
87.63300	1.1
89.06019	100.0
91.05469	9.7
91.07616	1.6
92.05783	1.1
93.07032	11.3
94.07385	1.5
95.04942	12.7
95.08604	8.4
96.05301	1.7
96.08932	1.7
97.06530	2.8
97.10165	4.4
99.04463	2.0
99.11744	1.3
101.90037	1.1
105.07015	10.7
106.07317	2.9
107.04941	4.7
107.07041	2.0
107.08575	8.2
108.08920	1.7
109.06491	6.9
109.10144	4.8
110.06828	1.3
111.04453	2.5
111.08086	2.0
112.08512	1.2
117.06992	3.0
117.09093	6.5
119.08555	8.7
120.08916	1.3
121.06490	1.6
121.10139	5.9
122.10418	1.6
123.08057	3.4
125.09608	2.8
130.08592	2.6
131.07065	2.5
131.08560	3.4
132.08961	1.4
133.08583	51.3
133.10129	3.7
135.11650	1.5
141.16353	3.8
145.10077	5.6
147.08102	1.3
147.11664	3.4
148.12000	2.7
149.09630	5.9
149.13260	1.7
150.58327	1.1
155.08504	1.2
155.88477	1.1
157.10139	2.3
159.11655	2.9
160.11974	1.9
161.11711	2.5
161.13235	1.3
163.11151	4.1
165.12721	2.1
171.11606	1.6
174.13644	1.5
175.09727	2.0
175.11237	1.5
177.11209	17.8
183.11774	1.6
185.19032	5.5
221.13818	5.0
223.13313	3.5
224.13628	3.5
229.19569	1.9
229.21600	7.4
257.18927	1.2
267.15799	1.5
273.24130	3.7
275.20093	8.9
275.69540	1.2
276.20462	9.1
283.17511	1.7
293.20947	3.4
294.21387	3.9
349.23602	3.3
349.89401	1.5
350.24023	3.2
359.65726	1.3
368.25174	1.5
642.44299	2.9
643.46069	3.0
660.46350	6.6
661.37115	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.5
51.02362	1.3
53.03937	1.6
53.59473	0.2
55.01862	0.5
58.06573	0.4
61.02920	0.3
69.03436	0.4
70.06580	1.2
71.04964	0.3
74.06061	0.6
75.04446	0.6
77.03910	2.9
79.05470	0.7
81.03402	0.5
82.06559	0.5
84.04461	0.3
84.08151	0.2
85.02893	0.7
87.04504	0.2
91.05438	1.2
93.07025	0.2
94.06554	1.8
95.04954	10.7
96.08131	0.6
96.97624	0.3
97.02893	0.3
97.06496	0.4
98.06062	0.5
98.22609	0.5
100.07578	0.2
103.05433	0.5
105.03376	71.9
105.04394	4.7
105.07001	0.9
106.03677	1.2
107.04914	0.3
107.07336	0.8
108.08099	2.0
110.06034	0.4
111.04443	0.4
112.07592	0.4
115.05449	0.9
117.05708	0.4
117.06983	0.7
118.06506	0.4
119.04937	0.7
119.08569	0.4
120.08102	0.8
121.02885	0.7
121.06509	0.5
122.05973	0.3
123.04420	0.4
124.07579	1.4
125.01511	0.2
126.09141	0.6
128.06244	0.6
129.06993	2.0
131.04909	0.6
131.07306	0.4
131.08548	0.3
132.08044	0.8
133.02861	0.6
133.06477	0.8
134.05940	0.3
134.09624	0.4
135.04413	0.6
135.08083	0.4
137.05956	0.4
139.03902	0.4
141.06989	1.0
143.04913	0.3
143.08554	0.6
144.08075	1.4
145.06502	0.7
145.08861	0.9
146.09634	1.8
147.04411	0.8
147.08081	0.5
148.07576	0.8
149.05971	0.4
150.09142	0.6
153.06990	0.6
154.08701	0.3
155.04855	0.3
155.08537	0.7
157.06529	0.9
158.09550	0.6
159.08005	0.3
160.07545	1.6
160.11206	0.3
161.05983	0.5
162.09131	0.6
163.45282	0.2
164.10689	0.4
165.05556	0.5
165.06967	1.0
166.08801	1.2
167.08591	1.0
168.10204	0.3
169.06482	0.5
169.08736	0.3
170.09630	0.8
171.08018	0.5
172.11220	0.5
173.05997	0.4
174.05449	0.3
174.09122	0.5
175.03897	0.3
176.07124	0.5
176.10789	0.3
177.05443	0.7
178.07620	1.5
179.08458	2.0
181.06448	0.6
181.10103	0.8
182.09711	0.3
183.08057	0.8
185.05972	0.3
186.09145	0.6
188.10718	0.4
190.07799	0.6
191.08452	1.3
192.09201	0.3
193.10118	1.6
194.07202	0.3
195.08034	1.2
195.10292	0.3
196.11276	0.3
197.05981	0.2
197.09659	0.5
198.09172	0.3
199.07661	0.3
200.10683	0.2
202.07796	0.7
203.08545	1.7
205.10118	1.4
206.07236	0.4
207.08018	2.3
208.09012	0.3
208.11259	0.4
209.09607	1.1
211.07524	0.5
212.10741	0.5
213.09114	0.4
215.08559	0.5
219.08038	1.2
220.09015	0.3
220.11249	0.3
221.09593	1.7
222.12691	0.3
223.07581	0.5
223.11320	0.5
224.10727	1.1
225.09093	1.0
227.10748	0.4
228.10141	0.4
231.08142	0.7
231.10298	0.4
232.08815	0.3
232.20056	0.2
233.09637	1.0
234.06789	0.6
235.07623	1.5
235.11288	0.6
236.10568	0.5
237.09081	0.9
238.09799	0.3
238.12129	0.7
239.07085	0.3
239.10643	0.8
241.08458	0.4
242.11678	0.4
246.13092	0.3
247.07516	0.7
248.08417	0.6
248.10730	0.6
249.09103	1.8
250.12450	0.5
251.10664	1.0
252.10037	0.5
252.13730	0.3
253.08559	1.0
254.11708	0.5
255.10208	0.4
256.13443	0.3
259.07617	0.3
260.10519	0.3
261.08984	0.6
262.12183	0.2
263.06958	0.2
263.10580	0.6
264.13892	0.5
265.08524	0.6
265.12369	0.3
266.11707	0.5
267.10095	1.4
277.08530	0.8
278.11905	0.6
279.07135	0.3
279.10068	0.4
281.11758	0.6
282.11511	0.4
282.14801	0.3
285.95508	0.2
291.83575	0.2
292.13242	0.6
296.12787	0.4
298.14233	0.5
302.11823	0.3
306.14615	0.3
309.11035	0.3
310.14331	0.5
311.12784	0.2
312.12122	0.3
320.12628	0.4
324.15918	0.5
326.13876	0.5
328.15479	0.3
338.13818	0.4
342.17044	0.7
352.15393	0.6
370.16599	1.0
384.18033	1.1
398.15839	3.6
402.19052	0.8
420.18640	0.4
428.92151	0.2
433.10376	0.3
444.20056	0.5
448.17776	0.3
460.17474	0.5
462.20917	0.3
463.86780	0.3
464.20502	0.4
474.19122	0.3
480.20270	0.8
482.21735	0.5
492.20212	0.5
506.21515	1.7
520.19379	0.3
524.22656	1.7
542.23718	1.8
552.22272	0.9
566.23907	1.6
584.24841	2.9
602.25824	8.0
603.25885	0.7
626.25970	1.1
644.27271	1.2
662.27930	100.0
663.28204	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	662.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.6
51.02362	1.2
53.03942	1.4
55.01857	0.5
58.06572	0.4
63.18480	0.2
64.59792	0.3
64.60140	0.3
67.05493	0.3
69.26614	1.5
70.06565	1.0
71.04950	0.3
74.06049	0.7
75.04482	0.5
77.03916	2.3
79.05465	0.7
81.03400	0.8
82.06561	0.6
83.04990	0.3
85.02882	0.7
86.62743	0.3
91.05465	1.7
93.03328	0.3
93.07031	0.5
94.06528	2.1
95.04955	9.5
96.08105	0.5
97.06534	0.3
98.06034	0.4
98.24574	0.3
100.07575	0.5
101.81741	0.3
103.05460	0.3
105.03374	63.7
105.04506	3.5
105.07018	0.9
106.03705	0.8
107.04972	0.4
107.07324	0.7
107.57387	0.3
108.08079	2.8
109.06432	0.3
110.06044	0.3
111.04418	0.4
112.07581	0.8
115.05437	0.8
117.07005	1.5
119.04934	0.9
120.08073	0.4
121.02783	0.4
121.06487	0.8
123.04448	0.5
124.07567	2.5
125.05956	0.3
126.09126	0.7
128.06227	0.7
129.07001	1.9
131.04939	0.7
131.07289	0.7
131.08543	0.6
132.08055	1.6
133.02821	0.3
133.06471	0.7
134.09641	0.5
135.04414	0.8
135.08044	0.3
136.07574	0.5
137.05942	0.7
137.08359	0.3
140.94862	0.3
141.06987	1.0
142.07739	0.3
143.08551	0.5
144.08067	1.1
145.06470	1.2
145.08817	1.0
146.09576	1.9
147.04399	0.9
147.08031	0.4
150.08000	0.3
150.09113	0.8
153.06950	0.4
155.08513	0.6
157.06476	0.7
158.09660	0.9
159.08107	0.5
159.10464	0.3
160.07541	2.2
161.06032	0.6
162.09108	1.3
163.07539	0.4
164.10738	0.3
165.05614	0.5
165.06964	1.0
166.07658	0.4
167.08530	1.3
169.06422	0.8
169.08763	0.3
169.10149	0.4
170.09682	0.8
171.04381	0.4
171.08093	0.4
172.11169	0.4
174.05421	0.5
174.09143	0.4
176.07066	0.5
177.05464	0.6
178.07721	1.4
179.07079	0.4
179.08493	1.9
181.06444	0.5
181.10143	1.0
183.07994	0.4
186.09180	0.4
188.07104	0.5
188.10689	0.5
190.06020	0.3
190.07695	0.7
191.08563	1.2
192.09296	0.4
193.06462	0.5
193.10176	1.5
194.07191	0.4
195.08090	1.3
197.09660	0.8
198.09241	0.4
199.07498	0.3
200.10725	0.3
202.07870	1.0
203.06926	0.4
203.08607	1.2
205.10150	1.3
206.07333	0.4
206.11819	0.7
207.08075	2.1
208.09637	1.2
209.09631	1.2
211.07526	0.3
211.11002	0.4
212.10748	0.5
219.08032	1.0
221.09618	1.9
223.07495	1.0
223.11172	0.7
225.09160	1.0
228.10187	0.3
231.08099	1.1
231.10284	0.4
232.11255	0.3
233.09607	1.0
235.07527	1.2
235.11186	0.5
237.09042	1.2
238.12314	0.4
239.10619	0.8
248.08302	0.6
248.10669	0.5
249.09146	1.7
250.12189	0.7
251.10619	0.9
251.13034	0.3
253.08597	0.8
261.09009	0.7
262.12280	0.6
263.10574	0.9
264.10541	0.3
264.13708	0.5
265.08469	0.3
266.11752	0.4
267.10181	1.2
268.13229	0.4
270.11414	0.3
277.08630	0.9
278.11676	0.6
280.13235	0.8
281.11526	0.7
291.10065	0.4
292.13245	0.7
295.09744	0.4
296.12790	0.7
308.12701	0.3
309.11041	0.5
310.14410	0.8
312.16061	0.3
320.12607	0.5
324.15799	0.6
326.13925	0.3
328.15237	0.5
330.17422	0.3
338.13876	0.9
340.15460	0.4
342.16849	1.3
352.15359	0.4
360.18088	0.8
370.16519	0.8
398.16068	1.0
402.19092	0.5
432.18198	0.3
441.99884	0.3
448.17883	0.4
460.17368	0.3
464.20325	1.7
474.19116	0.7
482.21744	1.3
492.20142	2.0
494.21552	0.4
506.21335	0.4
524.22699	4.4
542.23700	3.0
552.21576	0.3
584.24957	4.6
602.25885	9.6
602.35681	0.5
603.26404	0.4
644.27173	0.4
645.07843	0.3
662.27930	100.0
663.28229	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	662.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03944	1.3
56.05025	1.9
58.06590	7.9
75.04483	1.1
77.03919	2.6
84.08160	0.7
84.89820	0.8
87.56640	0.6
91.05463	1.2
93.16319	0.7
95.04971	8.0
105.03379	52.0
105.04525	3.0
105.07040	0.9
106.03695	1.4
108.08121	1.9
111.08049	0.9
117.06989	0.9
121.06521	1.2
124.07560	0.9
129.07011	1.2
138.09116	0.9
140.10754	1.0
141.07054	0.8
143.39439	0.7
145.06444	0.9
146.09615	0.9
149.05992	0.6
152.10696	1.3
159.07974	0.8
160.11215	1.3
161.04578	0.7
162.09125	1.4
167.08572	1.2
172.11151	0.8
174.09071	1.3
179.08578	2.1
191.08577	1.0
195.08012	1.1
197.09566	1.1
202.07790	0.9
205.10112	1.4
207.08087	1.6
209.09705	1.3
219.08089	1.2
220.08977	0.9
221.09715	1.0
223.07587	1.0
235.07552	1.2
237.09052	0.8
249.09169	0.8
263.10724	1.0
264.13739	0.9
267.10168	0.7
352.15045	0.7
356.18695	0.9
370.20166	1.4
384.17969	4.4
388.21341	0.9
420.23871	1.1
492.23962	1.1
510.24805	1.2
520.23566	1.2
542.27026	4.4
552.25861	2.3
570.26947	3.0
602.29419	11.8
662.31586	100.0
663.32050	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	662.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74208	0.6
52.75045	0.7
53.03942	1.5
58.06596	8.1
69.08472	3.6
69.08881	1.1
70.06592	0.7
71.04988	1.0
75.04449	1.7
77.03910	2.0
79.05476	1.9
83.64393	0.6
84.19823	0.7
85.02908	1.7
91.05474	2.4
95.04960	8.5
96.08138	0.6
97.02947	0.8
98.09706	0.7
103.05499	0.6
105.03378	53.4
105.04396	3.4
105.07010	1.4
106.03712	1.1
108.08120	2.6
109.06561	0.8
115.05452	1.3
117.07008	1.6
119.04935	0.9
120.08110	0.9
121.02870	1.6
121.06509	1.4
122.09709	0.8
123.04422	1.5
125.02323	0.9
125.05996	0.6
128.06210	1.7
129.06999	5.1
131.04927	0.6
131.08572	1.7
133.06508	0.7
138.09126	0.7
139.03860	0.9
141.06982	2.7
142.07761	0.6
143.08543	1.4
144.08104	1.3
145.06467	1.3
145.10069	0.8
146.09702	1.2
149.02373	1.0
152.10716	1.8
153.05518	0.7
153.06985	1.2
155.04913	1.2
155.08517	1.5
157.06473	1.0
158.09634	1.5
159.08078	2.0
159.10426	0.9
160.07541	0.7
160.11212	1.1
161.09581	0.7
165.07002	1.0
169.06529	1.0
170.09631	1.0
171.08051	1.0
172.11241	1.4
173.09540	0.7
178.07785	1.4
179.08546	1.7
184.11220	2.0
185.09601	0.7
185.11960	0.7
186.09048	0.8
186.12781	1.0
188.10690	0.6
191.08533	1.3
193.10127	1.4
195.08087	1.5
197.09708	0.8
202.07671	0.7
203.08604	1.5
205.10101	2.0
207.08017	2.4
208.11307	0.9
209.09586	1.4
212.10561	0.9
214.12204	0.8
219.07938	1.0
220.08870	0.8
221.09564	1.7
225.09032	0.8
231.08067	0.9
233.09647	1.7
235.07520	1.2
237.09135	1.5
249.09016	1.1
253.12170	0.8
261.08929	0.8
263.10742	1.2
324.16003	0.8
338.13922	0.7
346.77304	0.6
370.16330	0.9
372.18079	0.9
376.55380	0.6
520.22894	0.9
524.22504	2.0
538.23962	2.6
542.23822	1.9
570.27026	10.1
584.24939	1.7
602.25891	4.7
662.31238	100.0
663.30975	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	662.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03938	1.7
55.05495	0.6
56.05026	1.5
57.90745	0.4
58.06590	8.1
65.03944	0.9
67.05512	1.0
69.79636	1.6
71.04981	1.1
72.08147	1.5
77.03931	1.6
79.05485	3.7
80.05004	1.1
81.07061	0.8
82.06561	0.6
84.08113	2.6
85.02884	2.6
86.09696	0.8
88.07633	0.6
91.05461	3.2
93.03411	0.9
93.07039	1.0
94.06601	0.7
95.04955	7.7
96.08124	0.7
97.06513	0.4
97.11203	0.4
98.09671	0.5
102.09171	1.2
105.03381	46.1
105.04523	2.1
105.07028	1.9
106.03735	0.7
107.04938	13.4
108.08111	9.0
108.08813	0.7
109.06496	0.5
114.09200	0.5
115.05445	0.9
117.07018	1.8
119.05001	0.8
119.08585	0.8
121.02879	1.3
121.06524	0.8
121.08920	1.1
122.09661	5.7
124.11218	0.9
125.05943	0.8
128.06224	2.2
129.06984	2.8
130.07851	0.5
131.08554	2.1
135.04417	0.8
135.08051	0.7
137.05991	0.8
141.07036	1.2
143.08591	1.8
145.06482	1.3
145.10104	1.0
149.88022	0.5
153.06996	0.9
154.12221	0.7
155.08571	1.1
157.06482	1.0
157.10146	0.5
158.09685	0.8
159.10521	0.6
160.11221	0.7
163.11243	0.5
165.07060	1.0
167.08636	1.0
169.06499	0.5
171.08015	0.8
172.11258	1.2
173.12009	1.1
174.12787	1.1
175.11360	0.4
178.07811	0.9
179.08606	1.4
181.06509	0.5
181.10138	0.9
183.08107	0.6
186.12743	2.9
187.13608	1.0
188.14395	1.3
190.07872	0.6
191.08594	0.7
193.10124	1.2
195.08000	0.8
202.07765	0.5
203.08594	0.8
204.13911	0.5
205.10173	1.7
207.11743	1.1
214.12141	0.5
214.89557	0.5
218.11731	0.6
218.15434	0.8
219.11739	1.0
221.09705	0.7
228.13892	0.6
239.10716	0.9
242.11928	0.5
252.10258	1.8
253.10521	1.2
266.11819	0.9
276.17520	0.5
279.13794	0.5
295.11816	2.8
296.12476	2.0
306.07620	0.8
307.08032	0.7
320.11453	0.8
321.11969	1.0
322.18079	1.3
325.13144	0.6
336.19568	1.0
338.09741	0.5
342.20480	0.5
352.11761	2.1
353.12360	1.8
353.17065	0.5
354.20920	0.5
444.21768	0.5
458.23447	1.0
476.24625	1.4
508.26862	3.0
598.27295	3.2
630.30505	6.7
631.31158	0.7
632.21167	1.7
647.23389	5.1
648.23779	0.6
662.33221	100.0
663.24573	0.7
663.33905	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	662.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01854	3.9
55.05501	17.4
57.03430	19.2
58.06596	4.2
61.02929	2.3
62.75005	1.6
65.03968	1.5
67.05153	3.3
67.05492	43.2
67.65032	1.6
69.03423	3.5
69.07059	14.8
71.04984	6.9
71.44668	1.7
77.03876	1.4
79.05482	39.9
81.03404	59.3
81.07046	36.8
83.04969	17.0
83.08610	19.6
85.02890	16.7
85.06528	2.9
85.45072	1.4
91.05466	38.4
93.07030	48.8
95.04409	2.7
95.04957	28.1
95.08594	9.0
95.18653	1.6
97.02864	3.3
97.06516	10.8
97.10143	11.4
105.03362	16.8
105.04492	2.7
105.07007	18.7
107.04947	9.0
107.08567	25.6
107.09245	2.3
108.08102	2.2
109.06508	3.4
109.10155	4.8
111.04448	2.9
111.08072	9.2
113.06052	1.5
117.06983	4.3
119.08567	14.9
121.06495	3.5
121.10146	9.4
123.08022	2.8
123.11687	2.0
125.09617	2.7
129.06990	7.3
130.63760	1.5
131.08549	8.2
133.06459	2.4
133.10107	9.9
135.11673	37.7
142.07759	2.2
145.10101	7.0
147.08005	3.2
147.11688	12.0
149.09601	4.8
152.64917	1.6
157.10063	11.7
163.11148	7.0
175.11151	10.4
181.12193	7.9
190.04701	1.5
193.12224	32.7
211.13251	60.6
212.13680	2.1
255.15887	77.5
267.15851	29.4
285.16925	31.7
409.43170	2.0
421.25385	1.9
447.27362	68.3
448.27472	3.4
465.28430	100.0
466.28812	8.1
647.24316	1.9
662.33765	17.6
663.33911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.1
57.03427	15.9
67.05492	100.0
69.03419	4.4
69.07061	22.2
69.29303	11.6
69.29708	10.3
71.04990	6.0
79.05481	77.5
81.03413	5.1
81.07050	78.5
81.07498	6.7
83.05003	5.1
83.08623	15.6
87.04470	10.4
91.05469	58.1
93.07030	75.2
95.04949	12.8
95.08594	49.4
97.06531	8.4
98.22766	9.1
103.78330	4.2
105.07001	41.1
107.08578	32.7
109.06528	7.8
109.10176	22.8
117.07009	12.9
119.08575	23.3
121.10149	27.1
129.07062	5.4
131.08586	25.7
133.10104	27.5
135.11690	12.4
137.09583	5.9
142.25113	4.1
143.08597	7.8
145.10107	17.5
147.11685	12.5
149.09616	5.9
149.13220	12.8
159.11717	11.5
161.13164	4.2
161.63411	4.8
170.49106	4.2
173.13271	8.6
187.14615	5.0
229.14403	5.4
257.18982	5.8
261.21945	5.2
275.20020	14.4
335.25766	39.0
349.23663	10.4
489.35550	10.7
515.37299	5.4
529.38757	29.8
562.86542	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	663.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01851	0.9
55.05518	2.3
57.03417	1.2
57.07063	3.9
58.06591	1.3
59.04987	0.5
60.62542	0.4
60.87048	0.5
61.02919	4.0
67.05500	5.4
69.03423	3.6
69.07055	2.1
69.18790	2.8
73.02914	3.5
75.04470	1.3
79.05479	4.5
81.03401	1.8
81.07047	12.6
82.07380	0.6
83.04976	1.1
83.08607	1.5
85.02892	4.2
85.06520	0.6
87.04454	26.0
88.04787	3.8
88.41214	0.5
89.06044	1.1
91.03958	2.2
91.05481	2.3
93.07012	3.7
95.04960	2.1
95.08587	2.7
97.02870	3.4
98.23473	0.9
99.04427	0.9
99.08096	1.2
101.02381	1.0
105.07025	1.7
107.04921	0.7
107.08590	2.3
109.02795	0.6
109.06499	0.7
109.10153	1.9
109.74514	0.5
117.06996	0.5
119.08569	2.2
121.06501	1.1
121.10137	2.2
125.09608	0.6
127.03903	1.1
127.07536	0.9
129.06955	0.7
131.07040	0.6
131.08582	1.2
133.10133	1.6
135.08028	0.7
135.11685	1.7
145.08595	0.7
145.10112	1.6
147.08025	0.8
147.11598	1.0
149.09576	0.8
157.10106	0.6
159.11769	0.8
161.09622	0.7
163.11136	1.0
165.09102	0.7
165.12764	0.7
171.11600	0.5
173.24751	0.5
181.12289	1.0
183.11746	0.5
211.13290	0.7
221.15341	0.6
234.19186	0.8
242.42758	0.5
243.08406	1.9
277.21564	1.2
278.21967	0.8
295.22574	0.7
319.25070	0.6
351.24530	0.6
385.14658	8.0
386.14896	0.7
519.29291	5.3
520.29657	0.6
663.36938	100.0
664.37457	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	663.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01870	0.4
55.05510	1.3
57.03438	2.1
61.02924	6.1
66.30379	0.3
66.77682	0.5
67.05495	7.1
69.03421	3.6
69.07049	0.4
71.01359	0.4
71.05001	0.6
73.02908	4.4
75.04449	0.5
79.05476	4.2
81.03430	1.5
81.07051	3.3
83.08598	0.7
85.02900	6.8
86.17418	0.4
87.04475	0.6
87.88647	0.4
91.03945	4.9
91.05479	1.8
93.07042	4.0
95.08590	2.2
97.02877	6.5
98.23427	1.0
99.04466	1.2
99.08081	0.5
101.02357	2.0
103.03930	0.5
104.68546	0.4
105.07047	0.9
107.08597	1.6
109.02911	1.1
109.10136	5.1
119.08593	0.9
121.10139	2.8
127.03893	2.0
131.08588	0.7
131.54886	0.5
135.11707	0.9
145.10228	0.6
173.11778	1.0
179.51663	0.4
185.04245	0.7
195.09914	1.0
229.14381	0.6
243.08470	1.6
287.46661	0.4
289.17975	0.4
307.22763	1.1
413.17783	4.1
491.26114	10.0
515.78107	0.4
663.37030	100.0
664.37305	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	664.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
57.03421	0.5
58.06562	0.3
61.02910	0.3
61.56382	0.2
67.12019	0.2
68.32351	0.2
69.03419	3.3
69.30349	1.2
70.06564	0.4
71.04962	0.4
72.09001	0.2
73.02915	0.3
77.03928	0.2
79.05454	0.2
81.03410	3.5
81.56866	0.2
85.02889	3.3
87.04453	0.2
95.04949	0.8
97.02874	2.7
99.04443	1.0
99.69727	0.2
100.48882	0.2
104.04958	0.2
107.04940	28.0
109.02859	1.8
113.43987	0.2
127.03905	2.5
132.03499	0.5
132.04428	5.1
135.04398	0.9
145.02847	0.5
145.04953	1.7
145.24678	0.2
153.05443	0.7
154.08603	0.7
160.03816	0.4
164.07004	0.3
177.05446	0.9
178.04965	48.2
179.05339	1.0
188.07179	0.3
206.04457	100.0
207.04781	2.6
212.16429	0.4
239.57593	0.2
279.08575	2.1
290.43283	0.3
297.09805	0.6
316.13870	0.3
334.14771	0.3
374.21567	0.6
502.13379	21.5
503.13910	1.1
663.88745	0.3
664.20837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
56.05008	0.9
58.06592	7.8
60.04509	0.4
61.14758	0.3
65.03933	4.4
69.03418	6.7
69.83417	1.2
70.06602	2.0
71.04980	0.7
72.08130	0.7
75.04457	1.0
79.05479	0.5
81.03385	0.5
85.02887	3.1
86.06071	0.4
87.04443	0.6
88.07607	0.5
91.05460	1.1
94.06573	0.3
95.04934	0.6
96.08134	0.6
97.02878	58.1
98.06042	0.4
105.03365	0.6
105.07021	1.1
107.04932	0.7
108.08084	1.5
108.44770	0.3
109.02869	1.8
109.06519	0.5
110.09624	0.6
111.04430	3.5
112.07564	1.6
113.07915	0.4
114.32874	0.3
115.03923	1.1
115.05426	0.7
117.07010	0.6
119.04898	0.7
121.02849	92.9
121.03902	4.5
122.03193	1.8
122.09660	0.8
127.03918	1.9
128.06187	0.6
129.07008	1.6
131.04895	0.4
133.06451	0.8
135.08006	0.4
135.71834	0.3
136.43338	0.3
137.02367	0.8
137.05980	0.6
138.09145	0.8
139.03882	17.4
140.07040	0.4
140.10709	0.8
141.07024	0.6
143.08647	0.4
145.06483	1.3
146.09631	0.8
147.04401	1.5
152.10692	1.3
153.07001	0.5
155.08534	0.9
157.04948	9.3
157.06322	0.8
158.09653	0.9
159.08084	0.4
160.07571	0.6
160.11217	1.0
161.06073	0.5
162.09175	0.7
162.97276	0.4
163.03938	0.4
164.07117	0.4
164.10738	0.5
165.07005	0.8
167.08589	1.0
169.06458	0.6
171.08067	0.6
172.11310	0.4
174.09154	1.4
176.10619	0.4
177.05453	1.4
177.06810	0.4
178.07732	0.9
178.12279	0.5
179.08554	1.9
181.06508	0.6
181.10033	0.4
183.08057	0.8
184.11285	0.9
185.09657	0.7
185.11995	0.4
188.07124	0.5
188.10661	0.4
190.12404	0.4
191.08585	0.9
193.10097	0.8
195.08064	1.0
197.09583	0.5
199.05905	0.6
202.07646	0.5
203.08516	0.9
205.06693	0.4
205.10120	1.1
207.08087	1.4
207.11682	0.4
208.08937	0.5
209.09630	0.9
211.07510	0.4
217.07031	7.4
218.11697	0.4
219.08028	1.0
220.08786	0.5
221.09608	0.9
223.07487	0.5
224.10681	0.4
225.09126	0.7
226.06120	0.4
231.08095	0.7
233.09676	0.5
235.07559	0.8
235.11215	0.5
236.12677	0.6
237.09178	0.8
238.12248	0.6
239.10664	1.0
241.08681	0.4
249.09148	1.6
251.10719	0.6
252.13791	0.5
253.08415	0.5
255.31137	0.3
261.09131	0.4
263.10815	0.5
267.10065	1.0
268.13336	0.4
277.08347	0.5
279.10086	0.7
283.09259	0.4
287.05405	2.9
292.13431	0.5
293.14429	0.4
294.15097	0.5
295.09604	0.6
295.12970	0.4
296.12875	0.5
296.16171	0.4
306.14731	0.5
312.15839	0.4
324.15936	0.6
325.14252	0.5
326.14316	0.4
342.16925	0.5
356.18549	1.0
366.40506	0.3
370.16089	0.6
370.20212	0.7
372.17856	0.5
384.18036	3.0
388.21002	0.7
398.19727	0.5
402.19122	0.9
406.22171	0.6
416.20721	0.8
430.22238	0.5
434.21652	0.7
448.23172	0.9
466.24509	0.9
485.10681	0.6
494.21909	0.5
508.23196	1.2
512.22723	0.6
520.18304	0.4
522.21063	0.5
526.24243	1.0
536.22705	1.2
540.23029	0.3
544.25439	1.8
554.23920	0.9
568.25513	2.2
572.24670	0.7
586.26428	2.4
604.27472	9.1
605.28381	0.6
628.26697	0.5
646.28278	0.5
664.29498	100.0
665.29968	9.2
665.41125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.5
51.02363	0.6
53.03954	0.6
55.05507	0.8
57.03423	0.6
57.07066	11.1
58.06588	5.4
67.05499	2.5
67.19387	0.6
69.03435	0.6
69.07047	0.8
69.66492	1.1
69.66843	1.2
74.06080	1.4
77.03909	1.1
79.05471	2.7
81.03394	0.9
81.07030	1.5
83.04968	0.7
85.02920	0.6
91.05460	2.5
93.07052	1.9
95.04951	6.0
95.08574	0.6
97.02881	0.7
98.22729	0.7
105.03381	36.0
105.04510	2.2
105.07012	2.7
106.03716	1.0
107.08577	1.3
109.06490	0.6
109.10166	0.8
110.06046	1.5
117.07018	1.2
119.08572	0.8
121.10143	1.3
123.08021	0.5
123.52291	0.5
129.07011	1.2
131.08577	1.7
133.10118	0.6
135.11710	0.7
141.94681	0.6
143.08513	0.6
145.10126	0.6
146.09641	1.1
147.08049	1.1
148.07565	0.8
150.09116	0.7
155.08583	1.8
157.08902	0.9
157.10101	0.7
158.08534	0.5
158.09589	2.6
159.08028	0.9
160.07574	0.9
160.11403	0.7
162.09100	1.1
167.08527	0.8
169.10081	0.9
170.68153	0.5
174.09076	2.7
176.10742	0.9
178.07649	1.1
179.08482	1.1
180.09264	0.8
181.10191	1.2
192.09277	1.4
193.10161	2.3
194.10880	0.8
195.11703	0.6
205.10158	0.6
206.10890	1.1
207.11641	1.9
209.13269	1.0
219.11760	2.0
221.13327	1.6
233.13332	1.8
235.11243	0.9
243.11684	0.7
249.12766	0.9
264.17554	0.9
274.16016	1.6
290.15485	0.9
292.16965	3.3
310.17758	2.6
320.16437	1.7
326.17603	1.5
328.19110	0.6
338.17526	2.3
352.19009	1.1
356.18637	2.6
380.18661	1.0
398.19766	2.5
416.20816	0.8
458.21606	1.9
461.46582	0.6
467.26776	1.7
493.71198	0.5
502.22134	0.9
520.23163	1.2
562.24310	2.4
580.25366	9.3
586.72736	0.6
604.29236	0.9
664.31091	100.0
665.31445	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	664.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
51.25048	1.2
53.03937	3.9
55.01867	5.5
55.05509	13.2
57.03430	19.1
58.06598	2.1
61.02917	6.4
65.03918	2.7
67.05152	2.4
67.05498	36.7
68.40507	1.1
69.03425	5.6
69.07053	7.9
69.13754	3.8
69.14185	4.1
70.06580	1.5
71.04977	6.2
73.02900	2.9
79.05486	26.4
81.03408	100.0
81.07046	27.2
83.04971	15.6
83.08608	18.9
85.02390	2.5
85.02898	40.3
85.06520	1.8
91.05471	94.3
92.05793	1.8
93.07037	35.3
95.04955	29.5
95.08588	26.9
97.02907	8.1
97.06523	4.4
97.10138	3.6
98.23412	3.1
103.05435	1.5
105.03387	9.6
105.04501	2.5
105.07014	22.0
106.03676	2.7
107.04940	7.3
107.08575	6.6
109.02866	1.6
109.06512	5.0
109.10142	16.6
111.04414	2.9
111.08051	10.6
113.05989	2.3
115.05459	1.8
117.07030	6.3
119.08565	91.4
120.08873	1.7
121.02866	1.3
121.06471	8.2
121.10127	10.2
123.08069	3.8
123.11700	2.2
125.05994	1.6
125.09616	2.0
127.03917	2.8
127.44800	1.3
128.06223	1.5
129.06992	12.3
131.08560	10.7
133.06464	3.8
133.10118	9.9
135.08022	1.4
137.09595	42.7
143.08551	2.1
145.06444	1.7
145.10136	2.4
147.08037	11.2
147.11671	11.9
149.09596	5.6
151.11249	1.3
157.05014	1.2
157.10115	12.0
165.09093	37.5
165.12781	2.3
166.09494	1.4
171.31967	1.2
173.13235	3.2
175.11139	11.7
183.10165	14.5
193.12221	37.8
211.13263	65.4
239.12753	28.7
239.15013	2.4
257.13797	63.9
267.15863	26.5
271.02316	3.4
285.16910	54.8
286.17288	2.1
287.05350	1.8
303.04956	13.1
321.18137	1.4
339.19507	3.5
357.20447	4.5
413.23172	1.9
431.24179	24.1
434.21472	1.4
449.19211	1.7
449.25284	27.1
450.25409	3.0
467.26349	70.7
468.26492	4.0
484.25256	4.1
511.42972	1.3
544.27368	2.3
605.77612	1.5
640.96313	1.2
664.29095	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	664.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.05504	7.9
57.03429	6.8
61.02924	4.4
67.05499	21.3
69.03421	5.7
69.07056	8.6
71.04988	2.4
73.02895	2.2
79.05482	12.0
79.57840	1.7
81.03407	21.8
81.07049	45.5
83.04978	2.5
83.08623	7.5
85.02895	33.2
91.03937	1.8
91.05468	32.8
91.05984	2.8
93.07024	28.2
93.07922	1.7
95.04935	8.6
95.08595	39.4
97.02859	9.8
97.06545	1.5
97.10167	3.0
98.23435	3.6
105.03391	7.3
105.07017	34.0
107.08575	27.7
109.02878	4.5
109.06533	2.4
109.10136	26.7
111.08096	11.2
117.06973	3.8
119.08559	45.2
121.06537	2.5
121.10135	18.2
123.11680	5.8
127.03873	7.9
128.06148	1.7
129.07008	5.8
131.08551	17.7
133.10112	26.9
135.11702	15.6
137.09599	8.9
139.11200	1.9
143.08553	7.6
145.04950	11.9
145.10120	19.5
147.08047	3.4
147.11661	29.1
149.09608	2.5
149.13231	11.3
157.10120	9.3
159.11685	19.9
159.32925	1.6
161.13223	16.9
163.06027	6.8
163.14769	3.4
165.09044	7.3
165.12743	2.0
171.11647	7.6
173.13246	18.9
175.11237	2.5
175.14801	20.2
177.16222	2.0
183.10129	3.2
185.13261	6.5
187.14781	9.3
189.16394	6.2
193.12202	8.5
199.14830	6.0
201.16342	5.2
205.15837	3.9
211.13185	12.1
213.16389	7.1
215.17937	2.8
227.17877	8.3
229.19482	90.1
230.19762	1.9
239.12781	6.7
241.19427	3.0
257.13824	11.9
259.24118	2.0
267.15915	5.8
269.22607	45.0
270.22916	2.4
271.24072	4.2
285.16882	13.0
287.23654	100.0
288.24014	5.0
292.25311	1.4
305.24695	2.5
325.11292	2.4
350.39639	1.6
431.24045	3.7
449.25101	6.2
467.26443	14.8
664.29553	14.3
664.40265	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54990	1.3
53.81942	1.1
55.05500	3.2
57.03418	4.8
58.06586	1.6
59.67514	1.2
61.02904	5.8
67.05483	3.7
68.90467	1.3
69.03421	13.6
69.07049	4.3
69.25931	5.8
71.04977	2.6
73.02911	1.5
74.06064	1.8
79.05487	6.7
81.03384	5.0
81.07033	9.4
83.04977	2.0
83.08616	1.9
85.02891	100.0
86.06049	1.9
91.03925	2.9
91.05470	6.6
93.07070	6.3
95.08586	10.8
97.02873	17.5
97.10140	1.5
99.04448	5.2
105.06998	5.9
107.08571	6.2
109.02869	7.8
109.10136	5.6
111.11748	1.2
115.03900	1.9
116.10712	1.9
117.06990	3.3
119.04841	1.7
119.08571	5.8
121.10123	6.7
123.11679	4.7
127.03894	22.8
131.08554	7.0
133.10080	5.1
135.11656	3.6
137.13222	4.7
142.08688	1.9
143.08575	2.1
145.02934	1.8
145.04929	34.8
145.10095	7.5
147.04359	2.0
147.11679	5.7
149.13248	2.3
154.08632	7.3
157.10098	3.9
159.11661	5.0
161.13330	2.2
163.05995	20.8
164.06985	2.2
167.65198	1.3
171.11655	1.9
172.09631	1.8
172.17911	1.4
173.13237	5.2
175.03859	1.9
175.14804	3.5
177.05409	5.7
177.16425	1.8
185.13216	6.1
187.14824	6.1
189.16368	6.1
191.14278	1.4
198.09679	1.8
199.14807	5.8
201.16301	1.6
207.06531	5.2
212.16461	8.3
213.16353	6.2
217.15938	1.5
227.17970	2.8
269.22589	94.0
270.22934	3.1
277.98172	1.6
287.23642	41.7
288.23987	2.5
325.11148	1.8
334.14798	3.3
340.20871	2.1
359.51541	1.5
374.21542	2.5
426.25043	1.3
431.27768	10.0
466.23145	1.4
484.24979	3.3
664.31891	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	665.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03693	0.7
53.03936	6.5
53.24327	0.5
55.01856	1.8
57.03429	1.1
61.02924	0.7
69.03417	7.3
69.14932	1.6
69.15338	1.7
71.04986	4.6
73.02912	0.9
81.03407	25.4
83.01341	0.7
85.02893	12.2
89.39097	0.5
89.48089	0.6
97.02882	9.1
99.04440	20.8
103.03936	5.1
105.03373	0.6
106.61938	0.5
107.82267	0.5
109.02863	32.0
111.78855	0.6
115.03969	0.8
121.02858	1.3
127.03897	100.0
128.04230	1.3
130.43221	0.5
137.02356	0.9
139.03911	0.5
139.55034	0.5
145.04936	7.9
153.01790	1.6
160.18961	0.5
169.04955	6.8
187.05991	16.4
194.50017	0.6
210.38795	0.5
213.05495	0.9
229.07037	21.5
247.08124	5.9
287.05447	48.4
288.05737	1.5
318.85089	0.5
345.79987	0.5
380.30099	0.7
419.09641	2.8
459.99710	0.5
664.29510	0.7
665.29504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03427	0.3
59.18818	0.2
66.77750	0.2
68.99802	0.2
69.03420	28.2
70.03739	0.2
71.08093	0.2
85.02905	1.1
97.02880	100.0
98.03249	0.9
98.23419	0.3
105.03378	0.4
107.04985	0.3
109.02874	0.5
111.00810	0.4
115.03910	1.8
117.82766	0.2
121.02843	1.8
121.74149	0.2
133.02884	0.5
137.02319	0.6
147.04379	0.5
153.01804	2.4
157.04948	8.8
165.01768	1.4
183.02913	0.6
185.06021	0.4
200.39088	0.2
213.05397	1.0
217.07043	1.2
231.06546	0.6
241.04927	0.4
258.05182	0.8
259.05997	0.4
287.05453	76.8
288.05762	2.5
299.05542	1.0
303.05048	0.2
333.99155	0.2
365.06552	1.1
383.07526	0.3
425.08401	0.3
449.10760	5.2
450.11249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56114	0.3
55.01864	0.3
57.98018	0.3
61.57972	0.3
61.93591	0.3
65.03922	0.4
69.03419	12.6
81.03387	0.7
85.02890	1.1
87.46775	0.3
97.02878	100.0
98.03225	1.3
105.03359	0.3
109.02849	0.5
115.03927	1.1
121.02840	1.9
122.03132	0.3
127.03895	0.4
139.03879	28.4
140.04221	0.6
145.04965	0.4
152.27614	0.3
153.01878	0.5
157.04939	12.5
176.32567	0.3
199.05984	4.0
217.07031	3.3
233.05861	0.3
263.01254	0.4
280.91217	0.3
287.05453	14.7
311.05496	0.8
329.06442	0.7
365.06552	0.6
371.07901	0.5
461.10681	0.7
532.26337	0.3
546.99664	0.4
664.29163	0.8
665.29651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
57.03424	1.4
61.02913	0.7
62.14771	0.6
69.03419	34.2
71.04979	0.7
73.02905	6.4
77.89144	0.6
81.03410	3.5
85.02892	17.8
97.02879	92.7
98.03217	0.9
98.22694	1.9
99.04440	1.9
109.02866	18.5
115.03915	46.7
121.02809	1.3
127.03899	13.0
127.15327	0.6
139.03900	1.6
145.04910	1.8
153.01797	2.6
157.04941	100.0
158.05276	1.5
165.01830	1.2
169.04929	2.8
185.05873	0.6
187.06035	3.1
205.07043	3.6
217.07037	2.6
241.05162	0.7
266.18881	0.7
287.05460	64.1
288.05707	1.8
299.05533	1.7
320.37402	0.8
328.29865	0.7
348.16611	0.8
396.20599	0.7
449.10599	2.3
503.11896	0.9
506.10193	0.6
539.69507	0.7
671.44989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03938	8.5
55.01861	0.5
57.03419	0.4
58.06592	0.1
61.02918	1.3
65.03922	0.1
67.01854	1.3
68.99775	0.3
69.03416	4.9
69.12534	0.6
71.04978	1.2
73.02915	0.4
81.03406	9.4
83.01330	0.2
83.05016	0.1
85.02892	2.4
91.05485	0.2
93.07067	0.2
95.04998	0.1
97.02876	12.4
98.03238	0.2
99.04441	3.1
103.03915	0.3
105.03394	0.3
105.07027	0.2
107.04912	0.2
109.02862	20.6
109.10201	0.2
109.10983	0.1
110.03194	0.2
111.00789	0.6
111.03722	0.1
111.04410	0.2
115.03905	1.2
117.07013	0.1
121.02847	2.9
121.03793	0.2
122.03226	0.2
127.03893	17.6
128.04259	0.3
133.02817	0.3
134.26947	0.1
137.02330	0.5
139.03882	0.1
141.06995	0.2
145.02908	0.1
145.04924	1.1
145.06502	0.1
147.04388	0.4
153.01797	2.0
157.04977	1.5
157.06380	0.2
161.05992	0.2
164.13741	0.1
165.01791	1.1
169.04950	1.3
171.04294	0.2
175.05988	0.4
183.02835	0.6
185.05984	0.2
187.05981	6.4
188.06297	0.1
213.05406	0.8
224.38480	0.1
229.07089	0.2
231.06500	0.5
241.04932	0.5
258.05276	0.7
259.05978	0.3
287.05441	100.0
288.05780	2.7
299.05457	0.4
311.05533	0.2
357.03186	0.1
377.06625	0.2
395.07465	0.5
419.09662	10.7
420.10004	0.3
437.08740	0.6
461.10098	0.1
533.12622	0.3
592.03436	0.1
605.27393	0.1
610.65057	0.2
664.29333	0.4
665.30121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
55.05508	1.8
57.03428	1.8
58.06586	0.7
61.02924	4.4
67.05491	3.9
69.03425	2.6
69.07060	1.3
71.01349	0.8
71.04996	1.0
71.44010	0.4
73.02912	2.8
79.05499	2.6
81.03405	2.5
81.07049	3.2
83.04971	1.3
83.08612	1.5
85.02877	4.0
85.03259	0.4
85.06571	0.5
87.04465	0.5
91.03925	2.7
91.05489	1.6
93.07035	3.4
95.04964	1.9
95.08594	1.2
97.02879	4.2
97.06508	1.0
97.10181	0.9
99.04455	0.9
101.02375	1.8
105.07015	1.3
107.04989	0.5
107.08566	3.2
109.02881	1.2
109.06521	0.7
109.10152	1.0
113.05999	1.5
115.03938	0.5
116.29847	0.4
117.07037	0.8
119.08601	1.0
121.10141	1.4
123.08034	0.5
125.09568	0.5
127.03925	0.9
131.08583	0.6
135.08018	0.5
135.11700	3.5
135.12570	0.6
137.09683	0.5
145.10075	1.8
149.09642	0.4
163.11145	2.6
164.91930	0.4
173.09592	0.6
173.37598	0.4
181.12260	0.8
185.04227	0.4
185.76736	0.4
209.11978	0.5
221.11481	0.8
243.08456	1.7
255.15823	0.5
266.83899	0.4
283.15289	0.7
302.70667	0.4
305.13480	0.5
439.19333	5.8
440.19778	0.6
467.18829	7.7
536.30438	0.5
665.31305	100.0
666.31720	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	666.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
58.06583	0.7
69.09679	2.8
70.06567	1.3
74.06057	0.4
75.04463	0.6
79.05491	0.7
81.03410	3.0
85.02882	0.9
91.05467	1.3
94.06551	1.4
96.08101	0.5
97.02845	0.4
99.74529	0.4
101.15654	0.4
102.47762	0.5
108.08133	1.4
109.02856	0.9
110.07163	0.6
112.07571	0.5
115.05455	1.0
117.04707	0.4
117.06995	1.2
119.04944	0.8
124.07613	0.6
125.25542	0.4
127.03883	1.7
129.06981	1.7
131.08560	0.6
132.08098	0.8
133.06409	0.8
134.09715	0.5
135.07979	0.6
136.07603	0.8
137.02328	70.2
137.03412	5.3
138.02660	1.3
138.09148	0.9
141.06978	1.1
143.08511	0.5
144.08096	0.8
145.02838	1.2
145.06459	0.6
146.09641	0.7
147.04362	1.2
148.07507	0.5
149.05980	1.0
153.05431	0.4
155.08589	0.6
158.09612	1.0
160.07571	1.4
161.05859	0.5
162.09143	0.9
164.10669	0.6
165.06927	0.7
166.04959	0.6
167.08606	0.7
169.06511	0.5
170.09654	0.8
171.08005	0.6
171.10431	0.6
174.05434	0.5
174.09117	0.5
175.03874	1.1
177.05420	4.6
178.07794	0.6
179.08560	1.5
181.06483	0.5
183.08026	0.7
186.09093	0.6
191.08542	0.9
195.08066	0.7
197.09782	0.6
205.10146	0.9
207.06479	1.8
207.08173	1.0
215.08495	0.6
219.08031	0.9
221.09645	1.4
222.11299	0.9
223.07509	0.5
225.09010	0.6
233.09627	1.1
235.07555	1.0
237.09084	0.5
238.12332	0.5
249.09113	0.9
251.07286	0.5
251.10571	0.6
253.08551	0.6
256.13348	0.5
263.10654	0.5
267.10110	0.7
277.08499	0.9
292.13208	0.7
295.09598	0.6
310.14236	0.8
338.13937	0.7
339.10248	0.6
342.16971	0.9
352.15640	0.6
370.16257	2.9
374.19559	0.6
384.18243	0.8
388.17679	1.1
402.19058	1.5
434.21591	1.5
452.22891	1.5
510.21439	0.6
514.20642	0.7
524.19159	0.6
528.22052	1.6
538.20819	1.4
546.23407	0.7
556.21698	1.6
570.23438	1.7
588.24121	2.3
606.25238	6.0
607.26044	0.7
630.24951	1.1
648.26685	1.0
666.27429	100.0
667.27802	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	666.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03940	0.9
55.01880	0.4
56.05038	0.5
57.03406	0.4
58.06597	7.3
64.91168	0.4
66.65498	0.4
67.05495	0.8
69.03436	0.4
69.07047	0.6
70.06577	0.6
71.04977	0.6
72.04506	0.6
73.91989	0.4
74.06061	0.5
77.03922	0.8
78.25916	0.4
79.05487	1.1
80.57563	0.4
81.03416	0.9
81.07045	1.4
82.06580	0.4
82.68398	0.4
91.05469	2.7
93.07036	1.3
94.06550	1.3
95.04952	5.1
96.08105	0.8
97.02879	0.8
105.03381	27.4
105.04402	2.3
105.06988	2.9
106.03678	0.5
108.08106	1.6
109.06529	0.6
109.10136	0.7
110.06007	1.2
112.07600	0.5
117.06995	1.2
119.04948	1.1
119.08552	1.3
120.08118	1.0
121.06517	0.5
121.10098	0.5
124.07581	1.5
128.06223	0.6
129.07039	0.7
131.07283	0.5
131.08528	1.1
132.08084	1.0
133.06467	0.9
133.10219	0.4
134.09589	0.5
135.08086	0.6
136.07574	1.0
140.98923	0.4
141.98593	0.4
143.08556	0.6
144.08041	1.0
145.06465	1.0
145.10129	0.5
146.09639	1.7
147.08051	0.7
148.07562	1.4
155.08607	0.7
157.08873	1.5
158.09644	0.7
159.08006	0.5
160.07533	1.2
162.09148	1.2
164.10666	0.5
165.06993	0.6
167.08487	0.7
169.08780	0.4
171.07994	0.5
172.07556	0.8
173.08374	1.4
174.09167	2.0
179.08539	1.0
181.10109	0.7
188.10629	1.0
191.08604	0.6
192.10089	0.4
193.10132	1.1
195.10457	0.5
200.10741	0.6
203.08531	0.6
204.09335	0.9
205.10150	1.5
207.11710	0.8
210.09175	0.7
216.09401	0.9
217.10033	0.5
218.11076	0.5
219.11687	1.4
224.10623	0.7
231.11610	0.9
233.13318	0.9
234.11192	0.5
235.11198	0.7
247.11127	0.8
247.13539	0.6
249.12733	1.3
259.11200	0.8
262.15616	0.5
264.13788	0.6
272.14316	0.5
274.12338	0.6
280.16919	0.6
288.13803	0.5
290.15503	2.0
292.13513	0.6
292.16809	0.5
306.14868	0.8
308.16562	1.7
318.14902	1.1
332.95071	0.4
334.60522	0.5
336.15927	1.1
354.16919	1.8
357.15695	4.2
358.15732	0.6
370.46741	0.5
375.89017	0.4
414.18808	0.7
442.22208	0.8
484.23495	1.0
502.24161	0.7
544.25391	1.8
579.24249	1.3
606.26984	0.9
666.28833	100.0
667.29230	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	666.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
56.05032	1.2
58.06591	5.3
65.03937	1.1
67.05490	0.9
68.99760	0.7
69.03413	3.7
70.06577	1.0
70.18778	0.6
71.04985	3.1
72.08149	3.4
75.04465	4.2
79.05492	1.3
81.03404	4.5
81.07063	1.0
82.03759	0.9
85.02901	2.9
85.06544	0.7
91.05473	4.3
95.04956	1.4
97.02879	3.2
99.04446	1.2
103.05424	1.2
105.07047	2.8
107.04897	0.8
107.08617	0.7
108.08128	1.4
109.02867	4.8
109.06532	2.4
110.03213	1.3
110.09626	0.7
111.08055	3.7
114.09258	0.7
117.03393	0.7
117.07024	2.2
119.04969	0.9
119.08606	0.7
121.02870	1.5
121.06474	3.2
124.07630	0.9
127.03922	3.1
128.06201	1.0
129.07031	2.8
131.08566	1.2
133.06480	1.0
133.10170	0.7
134.01047	0.6
134.09618	0.7
135.08073	2.7
137.02296	1.7
137.05945	1.5
139.03912	1.0
140.10718	1.5
141.06998	2.1
141.09100	1.3
143.08572	1.3
145.02841	2.4
145.06511	1.4
145.10167	1.0
147.04454	0.6
147.08083	1.6
151.07552	1.2
152.10698	1.5
153.01874	1.0
153.07031	0.9
155.08580	2.0
158.09694	1.8
159.07997	1.1
160.11206	1.3
162.09174	0.7
163.07518	0.8
164.07072	0.6
165.07051	0.7
165.09122	1.3
167.08598	1.8
169.05077	0.9
169.06558	0.9
171.08110	0.8
171.10387	1.2
172.11188	1.3
173.09657	1.3
177.05429	2.8
177.09047	1.4
178.12257	0.8
179.08554	2.6
184.11218	1.2
185.09538	1.4
186.12822	0.6
187.06061	2.4
191.08612	2.4
192.09329	0.8
193.10168	1.1
195.08090	0.7
197.09546	1.3
198.12772	0.7
202.07884	0.9
202.12161	0.6
203.08604	2.4
204.09265	1.3
204.13910	0.6
205.10176	2.5
207.06511	1.1
207.11833	0.8
209.09622	1.1
215.08727	0.7
215.10799	0.6
216.09436	1.7
216.14000	0.9
217.10184	1.8
219.11722	1.6
221.09601	1.2
223.11275	1.1
228.09392	0.8
229.10202	2.1
231.11737	2.3
234.12796	0.7
235.11311	1.2
246.10423	1.0
247.11229	1.5
251.14211	0.8
261.12781	1.3
263.14255	1.4
274.15964	0.7
286.15921	1.0
287.05463	22.4
287.08524	1.3
288.05798	21.7
288.08929	1.1
289.06259	0.9
304.17029	0.8
306.18182	0.6
317.06464	3.7
318.18515	1.3
336.19644	1.5
342.16733	0.9
350.21475	1.0
354.16739	0.8
368.22546	0.8
376.20792	0.6
378.20724	0.9
384.21793	1.3
396.21790	1.7
400.25003	1.0
408.23505	0.9
410.23376	2.1
416.24466	1.9
419.09637	1.2
420.09854	3.4
428.24295	3.6
436.23587	1.1
442.25772	10.5
460.26968	13.1
461.26920	0.7
468.26062	2.6
474.28525	1.4
492.29495	32.8
493.29846	1.7
528.28052	1.0
606.29053	0.9
666.31171	100.0
667.31622	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	666.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01867	0.6
55.05505	3.2
57.03432	4.0
58.06583	0.6
59.04983	0.9
60.04507	0.8
61.02917	1.1
61.39034	0.4
65.03934	1.5
67.05493	5.1
69.03418	19.9
69.03799	1.1
69.07063	4.8
69.12602	3.3
70.06582	0.7
71.04967	1.1
73.02897	0.9
75.04470	0.6
77.49197	0.5
79.05476	4.1
81.03415	2.8
81.07044	7.7
83.04980	1.1
83.08598	1.4
85.02892	21.9
85.03409	1.0
87.04457	11.0
89.02096	0.5
91.03950	0.5
91.05470	17.0
93.07018	5.0
94.75529	0.5
95.04937	2.4
95.08012	0.9
95.08587	13.1
97.02243	1.1
97.02879	20.2
97.06510	0.7
98.23457	0.8
99.04446	1.3
103.02632	0.4
103.03934	0.8
103.05450	2.1
104.06220	0.9
105.03400	1.3
105.07010	21.8
107.08578	21.8
109.02869	1.8
109.06489	1.6
109.10144	11.5
111.04421	0.9
115.03912	22.1
117.05505	0.6
117.07001	6.1
119.08560	100.0
120.08904	1.4
121.06500	1.7
121.10120	2.3
123.04411	0.6
123.11716	0.6
127.03890	3.7
129.06961	0.6
131.08543	2.0
133.04945	25.3
133.10109	10.8
135.07977	0.6
135.11678	0.7
137.05963	0.7
137.09509	0.7
137.13226	0.5
139.03897	0.6
143.08546	1.0
145.04950	6.9
145.06102	0.8
145.10109	2.6
146.10956	0.6
147.08031	0.7
147.11659	4.2
149.09550	0.7
150.07617	0.6
151.03854	0.7
157.10144	1.6
159.11610	1.3
161.13246	9.6
163.05968	2.4
163.14769	0.6
169.04898	0.6
169.10049	1.1
171.11647	1.1
173.09683	0.6
173.13232	2.4
175.14796	29.6
176.15108	0.8
183.11795	0.7
185.08051	0.9
185.13220	1.1
187.14790	1.1
199.14787	2.0
203.17847	0.7
211.14781	0.7
217.15880	1.2
229.15820	0.5
241.07108	0.9
245.15314	0.7
249.15039	0.5
259.08148	3.3
263.16354	1.1
267.07886	1.2
271.16898	1.1
277.09183	1.6
287.05463	1.4
288.05716	1.3
289.17944	1.2
295.10181	6.7
307.19077	3.8
312.12994	0.9
315.19452	0.8
325.11380	1.3
409.30984	1.4
427.32025	3.7
445.32770	0.8
469.24130	0.8
487.33771	0.6
501.17712	0.7
504.22760	0.5
589.37207	0.8
621.53168	0.6
646.61749	0.5
652.40515	0.6
666.29169	1.0
667.23065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.7
57.03427	7.0
57.07064	5.1
58.06604	2.2
61.02917	42.9
65.03934	2.3
67.05495	62.3
67.05859	3.0
69.03422	5.3
69.07059	10.2
69.67464	6.0
70.06589	2.2
71.04973	4.9
73.02901	13.2
79.05479	50.8
81.03411	4.3
81.07045	72.0
83.08598	7.5
83.86121	1.5
85.02891	43.2
85.06528	6.8
91.03945	32.7
91.04508	2.9
91.05465	22.2
93.07031	60.3
95.04944	5.6
95.08593	42.5
97.02876	21.3
97.06516	6.1
97.10195	3.8
99.04475	2.4
99.08081	8.0
105.07015	18.6
107.08575	36.5
107.09252	3.1
109.06492	2.0
109.10138	27.8
111.08060	2.8
113.09646	2.4
115.03925	1.9
117.06989	10.0
119.08559	16.6
121.10120	42.8
123.08077	2.1
123.11691	18.7
125.09621	2.5
127.03893	11.5
129.06961	2.7
131.08549	22.0
133.10109	26.6
135.08133	2.5
135.11671	48.4
137.09624	3.5
137.13251	2.5
145.04948	17.2
145.10103	21.4
146.89925	1.6
147.11658	13.7
149.09572	5.1
149.13229	28.7
151.11153	4.4
151.14734	1.7
157.05246	1.7
159.11674	20.1
161.13239	5.3
163.05995	31.0
163.11176	3.0
173.13231	17.3
175.14912	2.4
177.12691	4.1
185.19597	1.7
187.14857	5.4
189.16368	3.3
193.04898	3.4
205.19463	8.3
215.17917	73.5
233.18961	100.0
235.20586	2.4
248.29794	1.7
251.19994	5.2
307.22601	28.7
325.23682	39.2
420.68768	1.8
451.27170	2.0
469.27890	6.7
539.29626	2.0
666.50562	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	667.1862
Annotation	6-Hydroxyluteolin 4'-methyl eter 7-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.57880	0.7
53.03933	2.9
55.01854	1.6
55.05511	0.7
57.03431	2.0
58.06618	0.8
61.02917	2.0
67.05476	1.1
69.03419	16.9
69.07068	0.9
71.04973	3.7
73.02898	1.1
79.05495	0.9
81.03403	15.6
81.07020	1.5
82.69828	0.8
83.01332	2.3
83.04980	1.4
85.02891	90.9
87.20985	0.7
91.05473	1.1
97.02879	100.0
98.03214	1.0
99.04436	10.9
103.03896	1.2
103.05459	2.1
105.03392	1.1
105.07018	5.1
109.02861	47.7
115.03893	0.9
119.04948	1.3
121.02883	1.2
127.03896	42.7
131.04915	2.9
133.06473	10.4
137.05962	18.2
139.03882	3.4
145.02879	0.8
145.04930	11.9
145.10094	1.0
147.04379	1.6
151.07465	1.7
153.01787	1.7
161.05966	3.1
161.09538	1.4
163.07547	2.8
165.09099	9.3
169.04944	4.9
177.05466	1.9
179.06987	0.9
183.10144	6.6
187.05988	27.6
189.09094	5.5
205.07034	25.9
207.10199	3.0
228.03992	0.9
229.05035	1.3
232.09109	0.9
233.11659	1.0
257.04614	1.0
274.04645	2.3
285.03937	1.6
287.05545	1.8
289.06058	1.1
291.12228	4.2
294.12427	1.2
302.04425	5.7
309.13220	0.8
317.06500	51.3
318.06870	1.7
320.37955	0.8
325.14233	1.7
463.12561	0.9
496.41953	0.8
666.29370	1.2
667.30298	1.5
688.15527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3288
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
51.02372	0.2
53.03937	0.6
55.01868	0.3
55.05500	1.0
57.03429	1.7
58.06568	0.4
61.02921	3.9
67.05492	2.6
69.03413	2.6
69.07067	0.8
71.01360	0.4
71.04980	0.7
73.02910	2.5
77.03936	0.4
79.05482	3.2
81.03403	2.8
81.07043	2.6
83.04971	1.1
83.08617	1.0
85.02891	5.5
91.03945	2.7
91.05482	3.2
93.07032	3.0
95.03333	0.3
95.04951	2.8
95.08601	0.9
97.02869	3.5
97.06512	0.7
97.10189	0.9
99.04462	0.9
101.02367	1.5
105.03376	5.8
105.04491	0.7
105.06975	1.7
107.04975	0.6
107.08561	1.9
109.02900	0.5
109.10138	0.4
111.08102	0.5
117.07021	0.4
119.08579	1.4
121.06499	0.3
121.10138	0.8
127.03914	1.3
128.06305	0.3
129.06984	0.8
131.08603	1.0
133.10129	1.0
135.11708	2.4
140.97137	0.3
145.10126	1.1
147.11707	1.0
157.10156	0.7
158.09648	0.4
163.11137	0.3
175.11226	0.7
181.12262	0.6
185.04248	0.6
193.10214	0.3
193.12283	0.9
221.11554	1.0
243.08324	1.8
251.12566	0.8
274.15845	0.3
277.13898	0.4
285.16873	0.4
294.18701	0.4
363.99457	0.3
372.63562	0.3
377.77692	0.3
439.19312	6.0
440.19595	0.4
469.20364	7.6
546.24622	0.4
546.57275	0.3
610.17664	0.3
616.32422	0.3
667.32880	100.0
668.27441	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	667.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74268	0.5
53.03931	2.8
55.01859	2.5
55.05502	8.6
57.03427	6.1
57.07061	2.8
59.04993	1.0
61.02917	8.9
61.95741	0.4
65.03931	1.4
67.05151	1.0
67.05495	14.8
69.03419	35.7
69.07058	18.0
69.07438	0.9
69.65637	1.1
71.01347	1.5
71.04980	3.4
71.08615	1.1
73.02910	4.6
77.03864	0.4
79.05479	7.6
81.03405	11.2
81.07045	21.0
83.01317	1.1
83.04971	1.2
83.08612	3.7
85.02890	100.0
85.06523	0.6
87.04459	4.9
91.03936	1.6
91.05458	9.1
93.03386	0.6
93.07030	9.6
95.04961	3.0
95.08590	33.0
95.23493	0.4
97.02875	23.6
97.06509	1.8
97.10149	1.5
98.23462	0.9
99.04442	4.4
101.02353	1.7
103.03930	1.7
103.05453	1.0
105.03382	1.4
105.04504	1.0
105.07013	21.5
105.07723	1.1
107.04942	2.2
107.08577	10.4
107.09251	0.9
109.02862	13.0
109.06489	3.0
109.10135	20.2
111.08070	1.2
113.09622	0.6
115.03910	1.7
115.05389	0.5
117.06986	3.5
119.04938	4.1
119.08549	11.0
121.06488	9.3
121.10120	6.3
123.08054	4.2
123.11711	3.5
125.05967	0.9
127.03890	21.9
128.06201	1.7
129.06981	3.5
130.07767	1.1
131.08539	7.7
133.06448	4.6
133.10120	5.5
134.37457	0.4
135.08032	5.5
135.11674	2.0
137.09543	0.7
137.13226	1.4
139.05411	0.5
139.07442	0.5
141.06985	2.0
142.07784	1.9
143.08537	8.7
144.09250	0.8
145.04935	10.2
145.06380	3.4
145.10106	11.3
147.08017	5.2
147.11646	5.7
149.05917	0.6
149.09605	2.4
149.13257	1.2
151.14807	2.0
153.07014	0.5
154.07813	0.9
155.08519	4.5
156.09329	1.6
157.06451	1.5
157.10112	7.2
159.08028	6.5
159.11667	7.2
161.09622	6.2
161.13240	2.3
163.05919	1.2
163.11188	0.7
163.14793	1.6
165.07039	0.6
165.16350	3.5
167.08554	1.8
168.09271	0.7
169.10124	5.7
170.10898	0.7
171.08073	4.3
171.11638	4.7
172.08754	1.0
173.09599	14.6
173.13295	3.6
173.83269	0.5
174.10239	0.7
175.11139	8.1
175.14803	1.6
177.16307	0.6
179.08508	1.9
179.17979	0.5
180.09308	0.9
181.10100	2.8
182.10913	1.2
183.08061	1.3
183.11685	4.8
184.08760	0.6
185.09567	4.1
185.13205	4.4
187.11137	6.3
187.14809	1.7
189.12727	3.3
189.16277	0.5
192.09334	1.0
193.10126	1.6
194.10852	0.9
195.08078	0.5
195.11685	5.4
196.12381	1.0
197.09489	2.5
197.13222	4.0
198.10315	0.8
199.11205	2.3
199.14743	3.2
201.12737	4.2
201.16362	1.7
203.14255	1.4
203.17879	0.6
205.12187	0.6
206.10915	1.3
207.11679	2.5
209.09517	0.7
209.13327	2.9
211.11156	1.9
211.14742	3.9
212.11894	0.7
213.12706	6.2
213.16371	1.3
215.14246	2.5
215.17868	0.8
217.15933	0.6
219.11653	1.1
221.13232	2.0
223.11139	1.0
223.14775	2.1
225.12688	1.8
225.16405	1.8
227.14270	6.3
229.15866	2.5
231.13716	5.2
233.13231	1.2
235.14835	1.7
237.12613	1.1
237.16458	1.5
239.14279	3.2
239.17833	0.5
241.15872	2.4
243.13773	2.7
243.17517	0.6
245.15326	6.1
247.14662	0.9
247.16980	0.6
249.14717	7.1
251.18031	0.8
253.15919	1.0
253.19518	0.8
255.13634	1.2
255.17436	1.3
255.21120	0.7
257.15237	4.5
257.22601	1.5
259.16965	2.5
261.14548	3.3
263.13583	0.7
263.16348	15.6
265.15869	0.7
265.19547	0.6
267.17667	0.6
267.20956	0.9
269.18906	0.8
269.22510	0.5
271.16879	1.6
271.20529	2.7
273.14737	0.6
273.18494	1.0
275.16296	10.2
277.17905	4.0
279.17389	2.8
279.20233	0.7
281.19049	1.4
283.16879	1.1
283.20572	0.4
285.18631	1.6
285.22052	10.5
285.24979	0.9
287.16257	0.7
287.20282	0.5
289.17938	1.8
291.19608	1.2
293.18994	0.6
295.16891	0.6
295.24014	0.8
297.18439	8.2
299.20007	3.8
301.17917	2.0
301.21313	0.6
303.19537	1.8
309.22339	0.7
311.19949	1.1
313.21780	1.0
315.19498	15.4
315.23132	1.1
316.20184	0.6
317.21088	6.5
325.21640	1.6
329.20917	2.5
331.22766	1.4
341.24774	0.6
343.22824	0.8
345.24448	1.0
347.27121	0.6
353.24664	1.0
357.24207	0.8
359.25632	0.8
363.25449	0.5
363.30280	0.7
365.28308	0.7
371.25729	2.1
373.28830	1.9
373.99615	0.5
391.29834	6.5
392.30444	0.6
409.30954	31.4
410.31250	1.7
423.19598	0.6
425.30142	0.7
427.32007	84.7
428.32275	4.6
443.31247	0.8
445.33023	3.6
451.23160	0.7
451.32172	0.6
469.33160	3.9
477.24835	1.5
479.26254	1.5
487.34076	18.4
488.34384	1.4
491.26135	0.7
505.28348	0.6
505.35239	5.4
507.29956	0.9
571.35736	0.8
589.37256	23.1
590.37372	1.5
649.39661	3.4
667.23303	10.6
667.40784	5.6
668.23566	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.5
51.02367	0.8
53.03939	2.1
56.05019	0.6
58.06589	2.1
61.18213	0.5
65.27731	0.5
70.06578	0.8
70.54235	0.5
73.87366	0.6
77.03912	3.2
79.05480	1.4
86.06037	1.1
91.05476	1.6
93.07025	0.6
94.06582	1.4
95.04952	14.0
105.03380	78.5
105.04398	5.4
105.07033	2.6
106.03696	1.2
108.08069	0.9
117.70671	0.5
119.08562	0.6
127.14700	0.6
128.06178	0.6
129.06972	1.2
131.08551	0.9
143.08551	1.1
144.08096	1.2
145.08908	1.1
145.10092	0.8
146.09641	0.8
155.08551	2.4
157.08882	1.1
157.10133	1.1
158.09596	3.2
160.11183	1.6
162.09105	0.6
165.07054	1.0
169.10158	1.5
171.08054	0.7
176.10823	0.6
179.08600	1.8
180.09444	0.8
181.10112	1.8
182.09636	0.9
187.37721	0.6
191.08643	0.7
192.09253	0.9
193.10097	2.2
194.11023	0.6
195.11745	1.0
202.07889	0.7
203.08569	1.3
204.09332	0.9
205.10127	0.9
206.10887	0.9
207.11658	1.8
209.13335	1.1
215.08559	0.9
217.10172	1.8
218.10880	1.0
219.11725	1.9
221.13289	1.6
229.10011	0.9
230.10907	1.9
233.13380	1.2
235.14914	1.1
236.14491	0.9
245.13284	1.5
246.12845	0.8
251.14178	0.7
260.14386	2.0
261.15131	0.9
274.15851	0.7
276.17432	8.1
294.18558	4.1
304.16953	1.9
322.17987	5.0
336.19562	1.3
340.19040	1.6
360.84811	0.6
364.19064	0.7
382.20236	2.9
409.51013	0.7
444.21777	1.0
458.23502	0.8
486.22775	1.4
504.23965	1.1
518.25452	3.5
546.24750	11.2
547.25146	1.6
608.26013	1.2
624.70782	0.6
668.28412	100.0
669.28687	11.4
697.19305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02376	1.9
53.03937	2.5
53.95090	0.3
55.01855	0.4
58.06585	1.3
66.86684	0.3
70.04522	0.6
70.06578	0.7
77.03915	2.8
79.05476	0.9
81.03413	0.3
81.07054	0.4
86.06053	1.2
87.42701	0.4
88.12045	0.3
91.05472	2.3
93.07056	0.6
94.06561	1.3
95.04954	15.9
96.08089	0.4
105.03374	88.3
105.04391	5.7
105.06978	3.4
106.03703	1.5
107.08573	0.6
108.08076	0.9
110.06023	0.7
115.05466	0.4
117.07000	1.0
119.08571	0.8
121.06507	0.5
124.07589	0.5
129.06972	1.2
131.08546	1.0
132.08118	0.7
134.09625	0.4
141.06938	0.4
142.07727	0.3
143.08548	1.7
144.08073	1.0
145.06538	0.4
145.08859	1.0
145.09966	0.4
146.09619	1.1
147.08015	0.8
148.11214	0.3
153.06969	0.4
155.08493	1.2
157.08812	1.1
157.09998	0.6
158.09616	5.2
160.11205	3.5
162.09135	0.5
165.07028	0.7
166.07759	0.4
169.10146	0.7
171.08090	0.6
171.10344	0.7
178.07729	1.4
179.08496	1.9
180.09253	0.4
181.10106	1.1
182.09599	0.6
184.11227	0.5
188.10706	0.8
191.08563	0.6
192.09338	1.5
193.10075	3.2
194.10997	0.7
195.11668	1.0
197.09612	0.6
198.12819	0.5
203.08511	0.9
204.09360	1.5
205.10130	1.3
206.10985	0.8
207.11697	2.6
209.13225	1.7
210.12749	0.9
215.08592	1.2
216.09349	0.7
217.10156	1.3
218.10936	1.0
219.11662	2.8
221.13274	0.5
222.12680	0.4
229.10136	1.0
230.10927	1.7
231.11606	0.8
233.13289	1.5
234.12868	0.5
235.14813	1.3
236.93170	0.4
237.12718	0.6
243.11882	0.4
245.13342	1.9
247.14861	0.5
250.15874	0.5
252.13858	0.4
260.14359	1.2
261.15152	0.7
263.14334	0.8
273.12927	0.4
274.15826	1.1
275.16647	0.5
276.17444	5.0
292.16968	1.0
294.18411	3.9
304.16898	2.7
310.17886	0.4
315.41376	0.3
322.17917	3.0
336.19531	2.4
340.19070	2.0
364.19061	0.7
382.20151	2.9
398.20862	0.5
444.21805	1.1
456.21832	0.6
458.23172	1.1
486.22937	2.3
504.23593	0.9
546.24823	8.2
547.25153	0.7
608.26099	1.7
668.28363	100.0
669.28760	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	669.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01846	0.3
57.03416	0.7
59.04978	0.2
61.02904	1.5
67.01846	0.2
68.99786	0.4
69.03416	6.3
69.18016	0.4
69.18406	0.5
71.04976	1.3
73.02901	0.6
73.46796	0.2
81.02950	0.3
81.03403	3.7
83.01318	0.5
85.02892	6.2
87.04449	0.5
93.03407	0.2
95.04942	0.2
97.02877	15.1
97.94303	0.2
98.03233	0.2
98.22616	0.3
99.04437	3.1
109.02856	3.6
111.00767	0.5
115.03912	0.3
121.02859	0.6
127.03897	4.2
135.04384	0.2
137.02304	2.4
145.04929	8.8
149.02312	0.5
153.01784	2.2
163.03903	0.3
165.01805	1.5
169.04994	0.3
173.05952	0.3
177.05493	0.3
183.02881	0.5
183.04376	0.2
187.03996	0.2
187.06030	0.5
195.02904	0.2
201.05447	0.8
205.05070	0.3
205.07103	0.6
207.06592	0.2
219.06360	0.2
229.04919	2.9
247.06010	0.5
257.04376	2.0
274.04587	0.5
285.03943	0.9
303.04926	100.0
304.05252	3.0
315.04977	0.4
327.04861	0.2
381.05786	0.2
446.69931	0.2
465.10208	6.9
466.10165	0.4
486.75986	0.2
669.67102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36271	0.2
53.03933	1.1
55.01860	0.3
57.03415	0.6
61.02914	1.0
68.99776	0.3
69.03421	4.6
70.44062	0.4
71.01330	0.2
71.04976	0.6
73.02917	1.3
80.12764	0.2
81.03408	3.8
85.02392	0.4
85.02891	5.5
97.02880	4.9
99.04440	1.3
103.03934	0.2
109.02863	3.9
111.00780	0.7
115.03876	0.3
121.02836	0.7
127.03899	5.7
133.04953	0.3
137.02322	2.3
139.03897	0.2
145.04926	2.2
149.02281	0.3
153.01813	2.9
160.49779	0.2
161.05948	0.2
163.03899	0.5
165.01796	1.8
169.05035	0.3
173.05966	0.3
183.02843	0.6
187.04179	0.4
187.05968	4.3
201.05431	0.8
205.07071	1.5
219.02968	0.3
229.04924	3.3
247.05949	0.6
257.04373	2.3
274.04666	0.4
285.03882	1.0
303.04938	100.0
304.05264	2.5
315.04755	0.2
345.05994	0.6
369.06140	0.3
465.10263	9.3
466.10529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1652
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
53.03941	2.9
55.01861	1.2
56.43422	0.6
57.03418	1.1
61.02917	3.8
69.03417	35.1
69.39185	1.9
69.39581	1.3
71.04971	2.2
72.87977	0.6
81.02950	1.1
81.03406	15.8
83.01320	2.2
85.02889	51.9
97.02875	48.9
99.04438	12.4
103.03902	0.6
109.02859	100.0
110.03185	1.4
111.00768	1.2
115.03919	1.0
121.02927	0.9
127.03895	55.4
128.04214	0.7
137.02333	2.6
139.03877	5.5
145.04922	15.7
153.01837	2.9
165.01796	1.1
169.04930	13.2
187.05989	17.6
201.05463	1.1
205.07030	23.4
228.99628	0.5
229.04980	3.0
240.51323	0.7
257.04382	2.5
274.04663	0.7
276.21674	0.6
285.03857	1.0
292.94455	0.6
301.12445	0.6
303.04929	96.5
304.05301	3.1
387.07217	0.6
406.20856	0.6
465.10306	4.4
666.40979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01864	0.9
57.03427	1.6
58.06581	0.7
61.02922	3.6
67.05482	1.7
69.03416	9.4
69.07052	2.0
71.04973	2.5
73.02901	1.2
74.18564	0.6
79.05482	1.5
81.03404	11.4
81.07057	3.9
83.01323	1.8
83.04965	1.0
83.08614	0.6
85.02892	100.0
85.06531	1.9
86.03223	1.0
89.58912	0.5
91.05476	0.8
93.07033	2.1
95.04953	0.8
95.08580	3.3
97.02878	71.3
97.06516	1.5
98.23561	0.8
99.04442	7.7
99.08103	0.8
101.02351	0.7
105.03360	0.6
105.07041	1.6
107.04965	0.9
107.08568	2.0
109.02860	28.3
109.10152	2.8
111.00811	0.7
115.03902	0.6
119.08579	0.8
121.06479	0.8
121.10148	1.0
121.27429	0.7
123.11705	1.0
125.05981	1.0
127.03897	38.1
137.02324	1.2
137.05974	1.1
139.03870	2.0
141.38782	0.6
145.02954	0.7
145.04955	8.0
145.10110	1.7
147.11676	0.8
149.13239	1.4
151.07570	0.7
153.01852	1.3
159.11784	0.8
163.11208	0.9
163.14777	1.3
165.01894	1.0
169.04927	4.7
172.66092	0.6
173.09628	0.9
174.80388	0.6
177.05435	1.3
183.02943	0.9
187.05991	31.3
187.11107	0.9
205.07043	55.5
206.07472	1.3
215.10696	1.5
229.05028	1.6
233.11745	1.2
257.04456	1.3
291.26813	1.4
303.04953	38.7
304.05408	0.9
309.28021	0.8
327.04758	0.9
327.28851	2.2
345.05902	0.9
512.84790	0.7
521.66565	0.8
539.93463	0.6
641.92053	0.7
669.26324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56746	0.8
53.03940	1.8
55.01863	1.3
55.05502	1.0
57.03424	2.1
60.14315	0.9
61.02914	3.4
67.05512	1.1
69.03411	7.3
69.07062	1.9
69.40501	2.0
69.40892	2.6
70.03781	0.8
70.04153	0.9
71.04984	2.0
73.02916	1.9
79.05513	1.2
81.03408	10.7
81.07053	2.3
83.01342	1.8
83.04976	1.8
85.02893	100.0
93.07030	1.6
95.04964	1.3
95.08588	2.4
95.31773	0.9
97.02879	64.5
97.06525	1.5
99.04446	7.7
105.07014	2.2
107.04978	1.0
107.08580	1.7
109.02865	26.4
109.03615	1.4
109.10172	1.3
121.10149	1.4
122.95695	1.1
123.11761	1.0
125.06000	1.6
127.03893	28.5
133.10179	1.3
137.05937	1.3
139.04002	1.3
145.04953	7.8
145.06528	1.1
145.10126	2.1
163.11098	1.1
165.01854	1.3
169.04921	3.6
182.93155	0.9
187.04294	1.3
187.05991	24.5
187.11130	1.6
205.07040	50.5
205.12209	1.5
206.07375	1.2
215.10670	1.5
229.04924	1.6
251.12953	1.8
253.94478	1.1
303.04919	34.3
304.05362	1.1
327.28931	1.6
338.57986	1.0
359.14697	1.3
462.28250	1.1
507.11084	1.1
633.28180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23729	0.5
55.05474	0.6
61.14712	0.5
65.03910	0.6
67.05478	1.3
68.06860	0.5
70.67667	0.8
70.67995	0.6
77.09130	0.5
79.05487	1.3
81.04492	0.5
81.07009	1.8
91.05446	1.0
93.07001	0.6
95.04976	3.4
95.08572	0.7
105.06947	0.9
106.02876	2.1
107.08556	0.9
108.02061	0.6
123.04390	1.2
133.10065	0.6
135.03102	1.9
136.03928	0.7
141.05432	0.8
145.10107	0.6
148.03883	2.2
151.03883	13.9
152.03383	6.6
153.04143	0.6
153.06461	0.8
166.04990	3.7
167.05743	1.0
176.29562	0.5
180.06543	1.3
181.06078	0.8
195.15671	0.6
239.06929	0.8
241.21878	0.5
249.07777	2.2
250.08485	0.8
264.06561	0.8
266.08017	1.2
276.06348	1.0
277.07263	1.3
278.08185	4.9
279.08881	1.7
280.09659	1.6
281.08075	1.3
282.14120	0.6
283.09680	0.9
290.08041	6.5
291.08646	1.0
292.06241	1.2
292.09567	1.5
293.06992	1.5
294.07581	5.0
294.11163	1.7
295.08279	2.9
296.09079	2.4
306.07599	11.3
306.11035	0.7
307.08310	2.3
308.09103	16.3
309.09991	0.7
310.10675	8.8
310.25308	2.4
312.09723	0.6
320.09152	1.1
322.07025	2.8
322.10617	14.6
323.07840	1.4
323.11313	1.4
324.08679	10.5
325.08847	0.7
326.13910	0.8
327.12183	1.8
336.08517	2.2
336.12204	12.5
337.09363	2.8
337.12973	14.6
338.10153	15.0
339.10995	5.5
340.11710	2.6
348.08600	1.1
352.11761	12.2
353.12534	1.4
354.13324	46.0
355.13675	2.3
385.11755	1.6
395.10364	1.1
396.11130	2.9
396.58081	0.6
400.10376	0.6
401.11304	1.8
412.10532	0.9
413.11148	4.9
414.12003	2.0
415.12650	1.3
424.10663	1.3
426.11884	1.1
427.12903	1.6
428.13699	1.2
429.10776	4.5
430.11227	0.8
433.13837	0.7
439.09180	0.7
441.10721	3.0
442.11597	1.4
443.11813	4.0
444.13229	4.8
445.13785	1.8
455.12354	2.4
456.13150	14.2
457.09625	1.1
458.15497	3.2
459.16333	3.6
461.13434	2.1
470.13885	0.9
471.12268	3.0
472.12717	2.9
473.13367	9.0
474.14407	2.5
475.15402	2.7
486.14102	1.2
487.15146	20.3
488.15216	1.9
489.12766	8.2
491.18088	1.7
502.17291	18.5
503.14120	6.6
504.14880	1.6
518.16827	3.2
519.17572	100.0
520.17883	5.1
526.38452	0.6
637.17847	2.6
638.19043	0.7
652.20502	2.7
669.20618	97.5
669.50732	4.2
670.20941	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	669.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.7
53.20432	0.5
54.13277	0.5
55.01865	0.5
55.05499	1.3
58.42874	0.4
66.12001	0.4
67.05486	1.0
69.07047	0.6
79.05478	1.6
81.03415	0.7
81.07045	2.3
83.08637	0.5
91.05473	1.3
93.07026	1.3
95.04967	0.6
95.08621	0.7
97.10133	0.7
105.07015	1.0
107.31277	0.4
109.06491	0.9
109.10133	0.5
110.03699	0.5
117.06990	0.6
119.08563	0.5
121.02834	2.0
122.75715	0.4
123.04499	0.4
131.08598	0.8
135.08017	0.8
136.03871	0.5
137.02327	4.2
145.10080	0.5
148.03876	0.4
149.02324	1.0
190.05043	0.8
193.12196	2.5
204.06544	0.5
218.04472	1.3
227.12743	0.5
230.04416	8.5
246.03893	2.2
252.10326	0.6
256.02429	0.5
257.58932	0.4
261.18250	0.5
264.10217	1.1
265.11182	0.9
266.11649	0.8
276.10159	0.8
277.10931	0.9
278.11731	0.9
279.09058	0.7
279.12509	2.9
280.09677	7.3
281.10049	0.9
289.10938	0.9
289.18005	1.9
290.08304	0.7
290.11453	0.6
291.19519	0.6
292.09604	2.3
293.10385	1.2
294.11145	4.2
295.12033	3.9
303.08804	0.8
304.09650	0.6
305.10425	0.9
306.07855	0.8
306.11176	3.1
307.11948	5.7
308.09271	1.1
308.12460	0.7
309.13486	3.4
310.11038	0.7
310.14151	2.1
310.25229	3.3
314.07999	0.8
315.09216	0.6
316.09583	0.7
316.13303	0.6
317.10251	0.6
318.07663	0.6
318.11188	1.1
320.09021	0.5
322.10693	3.1
323.11627	2.9
324.12128	2.3
325.12720	1.3
326.08066	0.8
328.09665	0.6
330.11127	0.6
331.08511	0.8
332.08963	1.2
333.09995	0.6
333.13605	1.3
334.10672	0.9
336.12015	0.7
337.13031	0.9
338.13800	29.7
339.14453	3.0
340.14932	0.9
344.09070	0.9
345.09674	0.6
346.10516	1.2
347.07809	0.5
348.12302	0.6
349.09229	0.7
352.15350	3.2
353.16165	41.8
354.16791	3.0
357.09265	0.7
358.07037	0.6
360.12225	0.5
362.10120	0.6
364.11618	1.2
368.08966	0.6
368.14880	1.3
372.11478	0.8
374.14197	0.6
376.11737	0.6
378.13330	1.4
383.10791	0.9
384.11969	0.7
387.13373	1.9
388.11591	0.6
390.09549	1.6
391.10251	0.7
392.14661	1.5
398.10019	0.9
400.10605	0.7
401.14865	1.8
405.12103	0.9
411.09775	0.8
414.13120	0.8
415.12958	4.1
416.10916	1.2
417.18124	2.4
427.13177	0.5
429.14447	1.9
430.15192	1.8
442.12808	1.4
443.11996	1.3
445.17532	8.5
447.09637	0.5
449.11038	0.8
459.15131	1.0
461.10431	0.6
463.12500	0.6
465.10645	1.1
473.16922	0.9
474.17264	0.8
491.11911	0.6
501.10599	0.8
507.15442	0.7
508.11737	0.5
519.10956	1.0
519.17419	2.0
520.12512	0.6
523.15332	2.6
530.10785	0.7
532.11456	0.6
533.12732	1.0
534.19751	1.4
535.14502	1.7
538.16919	1.0
546.13733	0.7
547.11145	0.9
548.11053	0.9
549.22461	3.4
551.13947	1.0
553.19171	1.5
560.12616	0.6
561.12372	1.6
562.13513	1.2
563.12506	0.6
566.14490	0.6
575.13837	0.7
577.15588	0.8
579.13696	2.5
581.18909	1.2
589.11694	0.6
604.14563	1.0
605.15350	8.5
606.15192	1.7
607.13257	8.5
622.15649	8.5
623.16217	2.7
625.13989	2.2
637.17987	100.0
638.18323	8.3
640.16711	2.0
654.17535	2.1
655.19086	40.3
656.19385	2.6
669.20715	20.5
669.39728	1.7
669.49481	4.8
670.20697	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19912	0.5
55.01821	0.7
55.05462	0.7
65.03873	0.4
66.45630	0.5
67.05433	1.8
76.64617	0.6
79.05437	0.9
81.06978	1.8
91.05394	1.4
93.06960	1.3
95.04890	0.8
95.08551	1.1
105.06954	1.5
107.08525	0.8
119.08482	1.0
121.02072	0.6
121.02843	7.4
127.74731	0.5
131.08513	0.7
133.10043	0.8
145.10034	0.7
147.11659	0.5
149.04683	4.9
150.05402	1.9
162.05405	1.1
164.03372	0.6
164.06985	1.1
164.45235	0.5
167.05751	0.8
181.07330	0.9
194.07941	1.5
220.45598	0.5
240.06491	1.7
242.07999	0.8
249.07674	0.8
250.08658	0.9
251.09453	1.3
252.10068	0.9
254.11647	0.5
260.02039	0.6
264.06586	0.8
264.10156	1.8
265.08582	0.8
265.11072	0.9
266.08063	0.9
266.11676	1.5
267.08862	0.9
275.20108	0.6
277.07724	0.9
277.11075	0.8
278.08072	2.9
278.11383	0.8
279.08875	1.9
279.12225	2.5
280.09610	9.6
280.12534	1.0
282.11115	1.5
292.09528	2.7
293.07562	0.8
293.10385	1.3
294.07553	1.9
294.11157	5.7
295.08920	4.1
295.11426	4.0
296.09256	0.7
305.07565	0.9
306.07654	1.8
306.11139	1.2
307.08362	2.0
307.11969	5.4
308.09097	14.5
308.12610	0.8
309.09912	1.4
309.13519	3.0
310.10785	11.2
310.14349	1.6
310.25253	2.8
320.09058	1.5
320.12744	1.3
322.07092	1.4
322.10675	25.0
323.07773	1.5
323.11334	4.7
324.08621	11.0
324.12296	4.2
336.08804	0.9
336.12299	4.1
337.09210	1.0
337.12982	7.2
338.10104	23.9
338.13849	28.5
339.10815	7.3
339.14215	1.0
352.11755	6.1
353.12421	4.7
353.16183	40.5
354.13284	48.0
355.13693	1.3
366.13000	0.8
366.17007	2.4
368.14874	100.0
369.15213	7.2
414.28076	0.5
443.12076	0.8
473.18896	2.7
474.18988	1.7
487.15027	1.0
517.19299	1.8
519.17584	8.4
534.19958	5.8
548.21527	1.7
549.22076	7.5
636.29407	0.6
637.21722	26.9
638.21912	1.8
654.22046	11.3
654.31836	0.5
669.24280	37.8
669.49396	3.8
670.24731	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	669.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96816	1.2
58.06591	3.6
65.03943	3.5
67.05499	3.6
79.05516	1.6
81.07056	2.6
88.32384	1.2
91.05445	1.7
93.07044	1.9
95.04971	2.6
95.08643	2.5
98.09651	1.7
105.07027	1.5
119.08620	2.1
121.01971	1.0
121.02843	29.2
121.04047	2.9
133.10107	1.8
145.10081	1.2
151.03896	3.4
156.59663	1.2
190.56219	1.3
200.65993	1.3
280.09799	4.9
291.19492	1.7
292.09592	1.3
294.11127	2.5
295.12021	1.6
304.09662	1.4
306.07761	1.5
307.12128	1.5
310.10822	1.8
310.25266	14.3
322.10770	3.5
323.11337	1.8
338.13791	15.1
339.14389	2.6
353.16183	20.4
354.13364	2.5
356.12445	1.3
357.12622	1.4
358.24155	1.5
370.10019	2.0
383.10413	1.8
385.12076	4.2
399.13177	3.5
400.14334	2.8
401.11493	4.2
413.11301	3.5
415.12985	3.9
416.13614	2.1
427.12869	4.9
428.13416	5.9
429.10568	2.1
430.15472	1.3
431.16165	2.2
441.15460	2.9
443.11856	2.2
444.14294	2.5
455.12598	5.0
456.13129	1.4
458.18622	6.5
459.09296	2.2
459.15393	15.8
472.13379	2.5
473.16617	1.3
474.17816	13.9
487.14993	10.2
488.15677	1.7
489.20313	3.9
502.17535	3.7
517.19946	8.3
519.17627	38.8
520.18042	1.7
534.19769	31.6
535.20630	2.3
549.22241	61.7
550.23041	3.0
563.14972	1.6
576.15277	2.6
579.17487	3.1
607.16968	22.4
608.17273	1.6
622.19275	17.8
637.21710	61.8
638.21973	4.7
654.21997	16.7
669.24329	100.0
669.49414	22.7
670.23438	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	669.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60536	0.4
53.03937	0.7
55.01870	0.5
55.05503	1.2
57.03429	1.8
57.75274	0.4
58.06584	1.4
61.02917	3.6
67.05493	3.4
69.03422	2.7
69.07050	1.5
71.04986	1.2
73.02907	3.3
73.34814	0.4
75.70562	0.6
79.05474	2.7
81.03411	6.0
81.07046	4.5
83.04994	1.3
83.08616	1.0
85.02895	6.4
91.03951	2.3
91.05464	6.2
93.07037	3.0
95.04949	1.9
95.08580	3.0
97.02872	4.0
98.09703	1.6
101.02395	1.6
105.03364	2.7
105.07011	2.9
107.04940	0.7
107.08591	1.4
109.02890	1.1
109.06534	0.9
109.10165	2.1
111.08073	0.7
117.07027	0.6
119.08566	6.4
121.10156	1.8
123.11717	1.1
126.97016	0.4
127.03885	2.3
129.06976	1.3
131.08585	1.3
133.10136	0.8
135.11723	0.5
137.09602	2.2
143.08650	0.5
145.04893	0.8
145.10046	0.6
147.08028	1.1
147.11684	0.9
149.13246	0.6
155.08479	0.7
157.10104	1.0
159.11632	0.5
163.95946	0.5
165.09143	1.7
169.10107	0.7
175.11189	0.9
177.05473	0.5
185.04234	0.4
193.12242	0.9
193.94667	0.5
243.08482	1.9
251.12436	0.7
279.11972	0.4
282.22192	0.8
291.26831	0.6
309.28049	0.8
310.25253	9.2
339.00171	0.5
344.15363	0.5
441.17322	7.4
469.20438	4.0
549.22986	0.6
588.27972	2.4
609.25250	0.6
669.30743	100.0
669.47821	14.6
670.30878	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	670.2146
Annotation	Miuraenamide E
Peak:m/z	Relative Intensity
54.15041	0.8
67.05486	1.5
69.07027	1.0
69.22387	0.7
70.78986	0.7
73.26894	0.7
74.79601	0.8
79.05491	1.5
81.07045	2.8
91.05499	0.9
93.07058	1.5
95.05019	0.9
98.23611	1.5
105.07058	1.8
107.08595	1.4
109.10197	1.1
115.91896	0.7
119.08627	1.0
121.06552	0.8
127.33106	0.9
129.07042	0.9
133.10117	1.2
137.95454	0.7
142.31076	0.7
151.03944	2.1
157.10153	1.1
161.69981	0.7
166.05016	1.3
249.07922	2.6
250.08603	1.1
262.08600	0.9
266.08087	1.8
277.07410	0.9
278.08078	4.4
279.08969	1.7
280.09735	3.3
281.06717	0.8
290.08203	1.1
292.06088	0.9
293.07037	1.0
293.10391	1.2
294.07559	2.5
294.11118	1.2
295.08453	5.5
295.11548	1.2
296.09290	1.9
306.07611	2.8
307.08282	1.9
308.09103	22.9
308.12527	1.5
309.09796	2.4
310.10672	13.1
310.25366	3.5
311.25787	1.1
322.07404	1.8
322.10815	4.2
323.07773	1.7
323.11292	2.4
324.08652	16.9
324.12289	2.5
328.09775	1.0
337.12949	1.4
338.10120	15.2
338.13583	1.5
339.11002	7.8
339.14713	3.0
340.11572	2.2
352.11984	1.4
353.12555	1.5
354.13321	77.2
355.13776	2.6
356.09137	1.4
368.14960	2.4
372.08633	1.1
382.11121	0.9
384.08649	2.4
398.10333	1.0
414.13837	1.0
425.12643	2.4
427.10965	0.9
429.11920	1.7
430.12744	1.7
446.16031	2.3
458.12210	12.2
461.14679	6.4
473.14615	26.6
473.25504	1.1
474.15103	1.3
476.13657	2.3
491.15894	3.8
503.17474	0.8
519.17169	1.3
520.18054	4.2
638.18951	1.1
639.19672	0.9
655.18915	3.3
669.40533	2.5
669.50018	5.2
670.21448	100.0
670.50555	3.7
671.21820	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	670.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22151	0.4
58.06570	0.4
68.53022	0.4
69.61018	1.8
73.27852	0.4
73.54520	0.4
76.88646	0.4
81.07008	0.6
81.49000	0.4
82.56281	0.4
91.05472	0.5
98.19624	0.4
98.23381	0.7
107.97242	0.4
117.96149	0.4
130.04060	0.4
133.10130	0.4
151.03870	0.9
166.04956	0.8
182.04399	0.7
188.14839	0.4
196.05952	0.6
205.43500	0.4
233.08351	1.1
238.08528	0.5
247.43365	0.4
248.06773	0.5
249.07825	3.9
249.14278	0.4
250.08632	2.4
251.09377	1.4
252.06471	0.7
252.10098	1.3
254.11722	0.4
261.07840	0.4
262.08475	0.6
264.06494	1.2
265.07370	1.1
266.08060	1.6
267.08841	0.8
268.09595	0.6
273.02634	0.4
276.06680	0.5
277.07199	2.0
278.08102	5.7
279.08765	2.4
280.06100	1.2
280.09622	6.2
281.06900	0.5
281.10800	0.4
282.11261	0.8
283.09579	0.8
290.07965	1.1
291.08881	0.6
292.06143	0.7
292.09546	1.1
293.06790	1.4
293.10391	1.7
294.07565	5.2
294.10986	0.7
295.08337	7.0
295.11938	1.8
296.09146	3.7
305.06808	0.6
306.07556	4.3
307.08304	1.7
308.09103	32.0
309.06500	0.7
309.09750	2.5
310.10696	18.6
310.25116	3.5
311.11349	0.6
311.25412	0.6
318.07581	0.5
322.07050	1.7
322.10721	5.4
323.07794	2.6
323.11487	3.0
324.08643	21.6
324.12247	3.3
325.09201	1.8
326.14011	0.6
327.08871	0.6
328.09720	0.9
329.10608	0.5
338.10184	18.7
338.14258	0.9
339.10898	10.7
339.14706	3.7
340.11871	3.4
342.11172	0.8
344.09100	0.6
352.11975	1.1
353.12946	2.1
354.13312	100.0
355.13562	3.4
356.09064	2.1
357.09735	0.5
368.08969	0.6
369.09897	0.5
370.10886	1.8
371.11475	1.1
372.08524	1.1
382.10852	2.0
383.11606	0.5
384.08331	3.0
384.12704	0.5
386.10132	0.7
387.10599	0.6
398.10089	1.2
399.10797	0.9
402.13626	0.5
410.10306	0.6
414.09122	0.9
414.13632	1.2
415.10312	0.5
425.12668	4.9
427.10135	0.8
428.14819	0.9
429.12146	1.5
430.12756	1.5
431.01868	0.4
441.11661	0.5
442.12717	2.2
446.15927	1.8
458.12250	16.0
459.12909	1.4
460.13779	0.5
461.14597	3.1
473.14630	30.8
474.14749	1.9
476.13428	1.9
491.15643	4.2
492.16138	0.8
608.16864	0.5
638.18750	1.5
639.19629	1.6
655.19434	2.2
669.50098	4.1
670.21466	80.7
670.50433	1.7
671.21735	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	670.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.6
51.02368	1.7
53.03933	3.5
55.05503	0.7
56.05479	0.3
56.90769	0.4
57.03430	0.7
57.50173	0.3
59.92556	0.3
61.02922	1.0
64.96021	0.3
65.03855	0.4
67.05493	1.3
69.03423	5.8
69.07055	1.4
69.85445	1.2
70.06590	0.4
71.05004	0.5
77.03894	2.2
79.05480	4.5
81.03404	14.1
81.07043	4.0
82.07373	0.5
83.08593	0.6
85.02888	6.1
85.06531	1.4
91.05460	2.4
93.07035	4.7
94.06930	0.3
95.04959	11.3
95.08611	1.8
95.42321	0.3
97.02245	0.5
97.02876	8.7
97.06498	0.5
97.10126	0.4
99.04432	1.1
99.08089	1.3
103.05461	2.2
105.03378	100.0
105.04388	5.6
105.07020	1.1
106.03696	1.4
107.04928	3.2
107.08569	1.3
109.02871	7.9
109.06496	0.4
109.10139	1.3
110.10472	0.4
111.08078	0.7
111.11674	0.5
119.08584	0.4
121.06489	59.5
122.06020	8.4
122.06835	1.0
123.04422	6.3
123.11688	1.0
124.12012	0.4
126.05505	0.5
127.03890	6.3
128.04034	0.3
131.12749	0.3
137.05927	0.4
137.13228	0.6
138.09120	18.1
145.04913	1.9
145.10056	0.4
149.13248	1.1
164.72749	0.3
175.03923	0.3
177.05434	0.6
179.01450	0.4
180.10147	1.0
195.06473	0.5
221.97549	0.3
223.20549	0.5
228.10112	3.0
231.06491	1.7
245.15344	0.4
246.11253	1.1
249.07555	12.6
249.10139	0.7
250.08011	0.5
267.08597	8.7
291.26718	0.5
309.27756	1.5
310.28137	1.5
325.02328	0.4
331.45102	0.4
350.13739	1.5
351.14011	0.4
368.14911	2.7
386.15918	3.7
404.16965	3.6
494.17645	0.5
508.29108	2.1
634.22711	0.7
652.23584	4.0
670.24146	1.8
670.34467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.3
62.90876	0.4
69.03432	2.0
70.23054	1.0
81.03410	2.6
83.14417	0.4
85.02898	1.9
89.03888	3.0
91.05453	0.5
94.77430	0.5
97.02892	0.5
99.04435	0.7
107.04944	0.6
109.02834	1.6
117.03362	10.2
127.03910	1.3
130.23354	0.5
134.03661	0.6
135.04396	0.6
137.05962	0.4
145.02827	40.2
146.03137	0.6
147.04417	0.6
149.05957	4.7
163.03877	0.6
177.05447	100.0
178.05807	2.4
190.08563	1.0
195.06441	1.1
206.68982	0.4
207.06454	0.6
265.08609	1.0
282.08374	0.4
296.10504	0.6
297.11102	0.7
303.05032	4.4
304.05240	4.1
321.09653	3.7
329.12256	1.0
339.10721	10.7
340.11450	0.7
342.16983	3.8
376.24823	0.6
380.64526	0.5
501.15952	1.0
670.24506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.3
58.06596	8.6
61.02908	0.4
65.03944	0.6
69.03423	2.5
70.06598	0.3
71.04975	0.3
71.44892	0.3
81.03409	4.1
82.03739	0.3
85.02898	3.1
89.03868	0.5
91.05468	10.6
95.04953	0.4
97.02884	1.8
99.04425	0.4
103.05413	0.4
105.07018	0.4
107.04942	0.8
109.02865	2.5
115.03905	0.3
117.03358	1.1
119.04928	21.6
120.05231	0.4
121.02809	0.5
123.04378	0.3
127.03919	1.9
131.04890	0.4
132.02071	0.8
133.02795	0.5
135.04353	0.7
137.05966	0.3
145.02826	2.8
145.04825	0.5
147.04390	20.3
149.02299	0.7
153.01787	0.5
157.03922	2.3
163.03908	1.6
164.04608	0.6
175.03889	37.3
176.04272	1.0
177.05444	6.7
178.05824	0.4
179.07022	2.0
179.08372	0.3
187.06010	0.5
191.03349	0.6
191.08612	0.6
192.04160	0.8
201.05405	0.3
205.06837	0.3
207.06497	100.0
208.06827	2.7
209.04411	1.3
209.09576	0.4
219.08051	0.6
221.09871	0.4
222.06647	0.7
225.07407	0.5
229.04910	0.5
230.05521	0.4
235.07523	0.4
237.09024	1.1
253.08568	0.4
257.04419	0.4
258.04453	0.3
265.08621	2.8
281.07980	0.3
282.08936	1.4
297.11197	3.6
299.09082	0.8
299.12634	0.5
303.04956	11.2
304.05292	11.6
305.05307	0.6
313.28061	0.4
329.12222	0.4
339.10718	0.3
341.16153	0.4
342.16989	10.2
343.17261	0.6
351.10748	3.6
369.11774	10.0
370.12131	0.6
373.53482	0.3
455.11813	1.0
465.10342	0.6
465.74869	0.3
466.10205	0.9
484.32874	0.3
499.25919	0.3
504.21927	1.1
670.24139	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06591	24.8
65.03922	0.9
69.03404	2.3
70.06599	1.3
81.03387	3.2
84.37254	0.6
85.02879	3.4
91.05465	9.5
95.04916	0.6
97.02859	2.6
99.04446	1.2
107.04935	1.0
109.02842	2.2
112.07581	0.7
112.08330	0.5
117.03384	1.3
119.04929	18.7
123.04374	0.5
127.03899	2.2
131.04929	0.5
132.02071	0.9
137.05930	0.9
145.02820	5.1
147.04388	18.7
148.04755	0.6
153.05333	0.6
157.03928	1.7
163.03880	1.6
164.04608	1.0
165.01797	0.8
175.03876	37.7
176.04222	1.1
177.05443	11.0
179.07007	1.6
179.08498	0.7
191.03413	1.3
191.08533	1.9
192.04068	1.0
195.32307	0.7
207.06490	100.0
208.06876	1.9
208.08708	0.7
209.04353	1.2
209.09575	0.9
218.07176	0.7
219.08012	2.0
222.06752	2.0
235.07445	0.7
236.08177	0.9
237.09135	2.6
238.06248	0.6
247.07600	0.7
253.08560	1.3
265.08548	12.0
272.41159	0.6
282.08853	3.8
284.10449	0.8
296.10455	1.2
297.11185	10.5
299.08997	1.7
299.12701	1.7
303.04901	8.2
304.05341	7.6
329.12122	1.0
341.16235	1.1
342.16949	35.1
343.17337	1.6
351.10825	3.4
369.11713	10.3
455.11664	1.4
466.10568	1.1
504.22034	4.9
522.59167	0.6
670.24646	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	670.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05493	1.3
58.06590	1.7
59.04982	0.6
59.21199	0.7
59.73528	0.7
62.73467	0.7
67.05499	1.8
69.03441	1.2
69.07053	1.7
70.06592	1.1
73.89841	0.8
75.04472	4.3
76.40536	0.7
79.05483	4.8
81.03414	2.2
81.07053	5.9
85.02912	2.5
87.04478	1.5
90.06441	0.6
91.05486	1.5
93.07040	2.4
94.06593	1.7
95.02091	0.7
95.04964	4.3
95.08601	2.4
96.26720	0.6
97.02889	1.3
98.09678	1.6
101.06010	6.0
105.03386	21.7
105.04479	1.2
105.07021	1.6
106.46777	0.7
107.07363	0.8
107.08609	1.4
109.06510	3.0
109.10165	1.2
111.04459	1.4
111.08068	16.7
112.07609	0.8
115.05465	0.8
119.08543	1.4
119.81525	0.7
120.08109	0.8
121.06519	2.8
121.10114	0.7
129.07034	1.1
133.08884	0.8
134.09659	1.9
138.09138	7.0
141.09103	2.7
144.08118	1.1
145.00017	0.8
145.10104	1.2
146.09650	0.8
150.09143	1.0
158.09641	1.2
162.09058	0.7
163.12991	0.7
164.10713	3.7
165.06926	1.4
167.08543	4.3
169.10117	1.0
171.11771	0.7
174.09142	0.8
177.05516	2.0
179.08488	1.3
181.06459	0.7
182.09605	1.2
183.08142	3.1
195.08112	1.7
195.10275	1.0
196.11203	1.6
198.09166	1.7
200.10788	1.0
208.11086	1.0
210.09158	1.8
210.12732	1.1
211.09802	1.2
212.10722	2.2
214.12288	1.3
215.10678	1.2
220.11087	0.7
224.10796	2.8
226.12357	0.9
228.10237	1.4
232.13348	0.9
238.12251	2.7
239.10628	0.8
239.13023	0.9
240.13977	1.0
242.11754	3.1
254.11852	1.8
256.13266	3.7
266.11710	1.2
268.13312	1.4
270.14822	2.2
274.14438	1.9
275.20193	0.9
280.13400	1.1
286.14432	1.4
288.15924	2.3
298.14316	3.6
303.14877	1.0
310.25253	7.5
311.25726	2.1
316.15802	1.0
330.17050	2.8
362.19604	1.4
420.18182	2.1
438.72073	0.9
450.19296	5.2
452.20599	21.9
453.21182	0.9
466.23279	2.5
482.21713	8.1
484.23206	1.4
538.24304	1.3
552.25684	1.4
556.25604	1.7
570.26794	6.9
588.27954	100.0
589.28302	7.2
669.49854	7.1
670.38855	1.0
670.49890	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	670.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01858	6.9
55.05505	23.1
56.10033	2.0
57.03424	5.3
67.05492	30.7
69.03439	4.0
69.07056	13.0
71.04972	3.7
76.47866	1.9
77.41975	1.8
79.05481	33.8
81.03408	7.7
81.07045	51.3
81.07492	3.4
81.61501	2.2
83.04963	5.3
83.08617	12.7
91.05466	26.2
93.07034	28.5
95.04951	19.9
95.08587	15.0
97.06493	3.4
97.10160	16.8
105.04570	2.2
105.07016	17.5
107.04950	8.6
107.08579	14.6
109.06512	8.7
109.10137	6.2
111.04430	6.4
111.08080	10.3
117.06995	11.5
119.08579	26.0
121.06496	9.1
121.10143	9.4
123.08062	9.5
125.09640	9.2
129.06992	7.2
131.08533	11.8
133.06493	4.4
133.10039	4.8
135.08075	8.0
135.11699	4.5
137.09566	3.8
143.08560	5.6
145.10135	14.4
147.08051	13.3
147.11720	5.2
149.09624	8.1
151.11253	2.4
153.09096	2.9
155.08525	2.8
157.10104	6.1
159.08073	3.3
159.11739	3.7
161.09604	8.7
161.13219	2.4
163.11168	6.9
165.09119	5.5
171.11685	3.7
175.11192	3.0
181.12263	3.6
185.13216	3.4
188.65385	2.1
189.11192	9.1
189.12730	2.6
191.10609	3.7
205.12090	2.2
213.11101	9.8
213.16444	1.9
223.13295	5.3
227.12723	5.1
245.19003	3.0
249.14812	5.2
255.17516	7.5
261.22141	5.9
262.25391	2.4
273.18460	42.0
276.02853	1.9
277.10425	2.6
284.46234	2.0
291.19485	100.0
292.19885	3.7
309.20508	5.7
310.25342	2.6
311.25882	2.6
335.25720	7.4
542.32288	2.2
550.48090	2.5
581.38654	2.7
592.49103	3.6
670.50079	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	671.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20810	0.6
53.72296	0.6
55.01834	0.6
55.05453	1.8
67.05495	3.1
67.05750	0.8
69.07030	0.8
69.69096	2.2
69.69436	0.6
72.07188	0.6
79.05476	3.0
81.03350	2.0
81.07050	7.0
91.05405	2.8
93.06968	2.3
95.04929	1.6
95.08538	1.2
97.10132	1.0
98.23402	0.8
105.06964	1.9
107.04868	1.8
107.08546	1.4
109.06502	4.4
109.10098	0.8
111.04424	0.6
117.06963	0.9
119.08506	1.8
121.10106	0.9
131.08525	0.7
133.10072	1.6
137.02324	5.8
138.72995	0.6
143.08519	1.4
145.10133	1.4
149.09554	0.9
159.11629	0.8
161.09555	0.9
199.17848	0.7
208.29285	0.7
247.07579	0.7
249.07799	1.0
250.08638	1.2
251.09042	0.7
252.10152	1.3
262.08316	1.1
263.09348	2.1
264.10095	2.2
265.08517	0.8
265.10989	6.7
266.08054	4.9
266.11221	1.1
273.18552	1.6
276.10129	1.0
277.08142	1.1
278.08066	2.7
278.11285	0.6
279.08948	1.2
279.12387	2.6
280.09674	10.0
280.12735	0.8
281.10211	4.1
291.08737	0.8
291.19559	1.4
292.09631	7.5
293.10428	6.2
294.07547	2.4
294.11139	5.2
295.08469	1.7
295.11923	5.1
296.09335	1.2
296.12720	3.7
305.07904	0.8
306.07663	1.3
306.10983	0.8
307.08740	1.3
307.11963	5.3
308.09116	7.7
308.12463	1.8
309.09772	1.9
309.13391	2.4
310.10751	5.8
310.14072	1.4
310.25186	0.9
311.25537	1.5
320.09225	1.3
322.10699	22.9
323.07840	1.4
323.11356	4.0
323.14951	1.3
324.08624	3.4
324.12207	30.9
325.12723	1.8
337.09384	1.5
337.13062	8.5
338.10074	17.0
338.13831	34.6
339.10754	3.1
339.14496	25.9
347.21945	0.7
352.11948	3.5
353.12442	3.9
353.16162	50.9
354.13187	15.9
354.16809	15.5
368.14871	100.0
369.15479	9.7
456.30258	0.8
489.17834	1.2
535.20709	6.2
540.35010	0.6
656.19659	6.7
657.19983	0.8
670.50012	3.6
671.22180	20.8
671.41125	1.4
672.22260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.3
55.05454	0.9
62.20301	0.2
67.05482	1.1
69.03378	0.4
69.07006	0.7
79.05488	1.7
81.03378	0.5
81.07061	1.6
83.08567	0.2
90.18214	0.2
90.88218	0.3
91.05464	1.3
93.06969	1.1
95.04919	0.5
95.08542	0.7
97.06477	0.5
105.07026	1.1
107.04890	0.4
107.08524	0.6
107.17694	0.3
109.06408	0.5
110.15858	0.2
117.06936	0.6
119.08504	0.8
121.10069	0.5
123.11613	0.2
125.09457	0.3
129.06946	0.3
131.08522	0.5
133.10049	0.4
135.07999	0.3
143.08470	0.3
145.10069	0.5
147.08009	0.2
147.11583	0.3
149.13150	0.2
151.03813	0.3
152.03380	1.7
157.10063	0.3
159.11607	0.3
163.11116	0.2
193.12178	0.4
249.07764	0.3
250.08549	0.5
251.09344	0.4
252.10214	0.5
264.09930	0.3
265.08533	0.5
266.08115	0.3
266.11530	0.3
273.18640	0.4
275.19867	0.4
276.06522	0.3
276.09979	0.4
277.07666	0.5
278.08081	1.6
278.10876	0.3
279.08850	0.5
279.12418	0.4
280.06650	0.4
280.09634	1.9
280.12396	0.3
282.11438	0.3
289.17850	0.4
291.08832	0.5
291.19608	1.6
292.09616	1.0
293.10455	1.0
294.07587	1.5
294.11197	2.3
295.08368	1.1
295.11719	1.1
296.09058	0.5
304.09579	0.5
305.07635	0.3
306.07562	1.5
306.11182	0.7
307.08600	0.6
307.12015	1.0
308.09106	5.8
308.12561	0.4
309.09836	1.0
309.13431	0.5
310.10721	4.7
310.14249	0.7
311.25589	0.3
313.17786	0.3
320.09161	1.2
321.10104	1.2
322.07233	1.2
322.10675	18.5
323.07666	0.6
323.11224	4.3
324.08658	3.3
324.12262	4.7
325.12796	0.5
334.10840	0.4
336.09042	0.4
336.12390	2.0
337.09439	0.7
337.13013	6.9
338.10144	18.9
338.13870	7.9
339.10602	3.6
340.11728	0.8
351.12009	0.7
352.11752	9.3
352.16071	0.5
353.12335	4.7
353.16202	11.7
354.13303	19.8
355.13596	1.5
356.08862	0.3
366.13321	0.6
367.14075	3.3
368.14871	100.0
369.15186	8.4
371.11359	0.3
382.10843	0.3
384.08380	0.5
386.09879	0.3
398.10046	0.6
399.10834	0.8
401.11945	0.4
413.12256	0.4
414.13589	0.3
415.10513	0.4
419.08945	0.3
425.12509	0.8
430.12753	1.7
442.12955	1.7
445.15179	2.0
456.14624	0.5
457.15506	0.7
458.12338	7.6
459.12036	0.4
460.17523	10.4
461.18085	0.5
472.13773	1.5
473.14612	6.1
474.15323	0.4
475.16199	27.7
476.16357	0.9
487.16074	0.5
488.16949	23.5
489.17273	1.3
491.15491	0.4
506.17822	1.0
607.82367	0.3
624.17432	0.6
639.19556	0.9
640.20044	0.3
653.41028	0.5
656.19867	8.5
657.20203	0.7
670.50250	0.8
671.22168	36.5
671.42004	3.1
672.22394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44817	0.7
58.06612	1.3
67.05488	1.0
69.88787	0.8
75.39823	0.6
79.05518	0.8
81.03410	0.7
81.07053	1.3
89.17169	0.7
91.05476	1.3
95.04957	0.9
184.13919	0.7
203.05296	2.0
259.07880	1.0
305.08359	0.8
310.25259	0.9
311.25394	0.9
347.09534	2.6
349.47729	0.7
365.10538	5.8
421.13260	2.7
422.13013	0.8
455.88412	0.8
509.27087	14.8
569.72449	0.8
670.49841	2.7
671.32367	100.0
672.32611	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	671.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.9
53.03942	3.7
55.01867	12.5
55.05506	21.2
57.03424	3.0
59.04974	0.9
65.03922	3.1
67.05497	28.3
67.87371	0.6
69.03419	4.3
69.07054	11.2
69.62377	3.0
71.04987	3.1
71.08608	0.6
73.02880	0.6
77.03924	1.0
79.05484	49.8
80.05804	0.8
81.03413	6.5
81.07047	100.0
81.10340	0.8
82.07393	0.8
83.04976	12.0
83.08611	9.2
85.02897	6.9
85.06529	2.3
85.51651	0.7
91.05470	30.0
93.06438	1.4
93.07033	28.0
95.01343	1.0
95.04954	18.4
95.08599	12.9
97.02895	1.9
97.06517	4.7
97.10150	9.2
98.00197	0.7
99.00795	2.2
99.04455	2.9
99.08079	1.0
103.05476	1.3
105.04514	2.0
105.07019	23.9
107.04951	10.3
107.08576	14.3
109.02869	3.0
109.06506	46.3
109.10132	7.0
110.06858	0.8
111.04431	14.1
111.08064	4.9
113.05991	0.8
115.05451	2.6
117.06188	0.7
117.07001	14.5
119.04942	1.1
119.08566	26.9
121.02890	1.0
121.06493	10.7
121.07360	0.9
121.07744	0.6
121.10128	8.7
123.04429	2.3
123.08065	6.8
125.05980	1.4
125.09630	8.7
127.03950	0.8
128.06221	2.3
129.05513	0.9
129.06995	6.1
130.07761	1.4
131.08563	10.5
133.06479	4.3
133.10118	11.1
135.04427	1.0
135.08037	10.5
135.11671	4.9
137.05965	1.1
137.09589	4.5
137.67827	0.7
139.07460	1.1
141.06952	1.3
142.07730	0.8
143.08540	5.8
145.06429	3.4
145.10117	13.4
147.08028	10.9
147.11674	2.4
149.09561	6.0
151.07510	0.9
151.11182	1.6
153.09137	1.9
153.12752	3.3
154.07796	0.9
155.08514	1.5
157.10153	4.4
159.07988	3.6
159.11661	4.4
161.09624	12.0
163.07547	2.6
163.11153	6.8
165.09093	6.3
167.08549	1.1
169.10138	1.5
171.08023	0.8
171.10330	0.7
171.11719	2.5
173.09602	4.0
173.13254	1.2
175.11171	2.4
177.09061	0.9
177.12779	1.5
179.10719	1.6
181.10117	1.3
181.12268	3.1
183.10193	1.3
183.11687	1.1
185.09557	1.0
185.13293	0.9
187.11183	1.6
189.09525	1.3
189.11247	5.3
189.12703	0.9
191.10631	3.5
193.12206	8.4
195.11702	1.4
197.11688	0.8
199.11169	0.8
199.14928	0.8
209.11642	1.3
213.12808	1.0
223.13181	4.4
227.12802	4.4
227.17868	1.1
237.16547	0.9
243.17607	1.2
245.19049	2.4
249.14757	4.8
255.17467	3.0
261.18546	2.2
263.20316	0.9
271.16913	3.4
273.18454	31.4
289.17938	8.9
291.19507	88.3
292.20007	2.6
307.19073	1.3
309.20657	2.3
329.21121	1.6
345.20752	0.8
347.22086	8.3
363.21710	2.9
365.23114	3.6
381.22821	5.1
409.27319	0.8
489.28281	1.0
635.38550	1.7
653.40448	6.0
671.41443	24.6
672.42029	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	671.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46062	4.1
55.05499	25.2
55.91254	4.1
57.07063	16.0
58.06596	17.2
64.06731	4.1
67.05494	28.6
68.15550	4.1
68.92097	4.5
69.03430	13.1
69.07062	60.7
69.32706	7.1
69.33117	15.6
70.06590	6.3
71.08629	5.9
79.05486	21.8
81.03422	4.1
81.07044	88.0
83.08592	27.0
85.02905	27.0
85.06549	13.7
86.09684	6.0
91.05476	12.1
92.14404	4.6
93.07039	25.5
95.04974	6.2
95.08595	100.0
97.02879	21.1
97.06472	5.3
97.10175	20.4
99.08106	10.5
104.10767	9.4
105.03378	16.3
105.07016	12.9
107.08588	24.5
109.06538	5.1
109.10142	65.5
111.08076	16.8
111.11682	24.6
112.08413	4.3
113.09648	4.9
115.03958	9.5
119.08556	10.2
121.10143	20.0
123.11694	38.6
125.00073	5.2
125.13267	10.4
127.03927	9.4
127.11199	7.9
133.10121	8.5
135.11684	8.8
137.05927	6.3
137.13242	19.2
138.09073	5.5
145.02849	8.6
145.04971	8.3
147.11722	6.6
149.13205	20.7
151.14803	26.4
153.12764	7.8
155.14320	9.8
157.05040	4.9
159.11743	6.0
163.14796	13.3
165.16385	13.9
173.13322	4.8
177.05481	19.7
179.03133	19.0
181.10207	5.3
184.07355	8.5
219.20961	5.0
239.05261	23.7
275.27310	12.0
279.02615	5.2
281.28403	14.2
287.05640	8.9
293.28320	44.8
303.04926	7.4
308.02869	12.6
309.03503	7.3
310.25259	11.8
311.25558	16.7
311.29428	26.3
312.26007	8.6
329.30447	12.5
392.64307	4.5
453.21085	7.5
455.09256	12.9
456.31583	4.9
525.09790	27.0
526.10773	4.3
532.18866	4.6
549.22998	16.5
571.27301	7.3
589.28149	69.0
670.49469	13.5
671.15149	24.5
671.50116	36.5
672.16034	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	672.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.1
53.00291	0.1
54.17636	0.1
54.39479	0.1
55.05488	0.2
58.06586	0.4
61.02934	0.2
62.17177	0.1
63.02378	0.6
69.03421	0.5
70.06573	1.3
70.51537	0.3
71.04978	0.2
78.04704	0.3
79.23835	0.1
81.03420	1.1
81.07041	0.2
85.02896	1.5
85.77883	0.1
89.03901	4.8
91.05451	0.6
92.66478	0.1
97.02875	0.6
97.10166	0.2
103.05424	0.2
105.12053	0.1
106.04136	0.3
109.02885	0.6
112.07597	1.0
117.03360	15.0
118.03673	0.2
119.04919	0.4
121.06565	0.2
125.09617	0.2
127.03878	0.3
131.04915	0.1
134.03584	1.2
135.04390	0.8
137.05949	1.1
140.06151	0.1
140.07030	0.9
145.02823	44.3
146.03165	1.2
147.04384	0.4
149.05954	5.6
151.07507	0.1
158.08075	0.2
161.05943	0.2
162.03122	0.4
163.03893	0.6
165.05484	0.2
177.05440	100.0
178.05925	2.3
186.05482	0.4
195.06503	1.3
206.04468	2.1
207.06447	0.2
219.06317	0.1
221.08046	0.2
233.07957	0.2
245.07945	0.2
263.09183	0.4
279.08875	0.2
303.74622	0.2
321.09604	0.6
331.11539	0.2
339.10703	2.4
510.19168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
58.06578	1.2
60.04519	0.5
69.03413	1.1
70.06574	1.7
80.55134	0.4
81.03403	2.1
82.61243	0.4
85.02893	1.1
86.09691	0.4
89.03911	2.7
89.30132	0.4
91.05475	0.8
97.02847	0.6
98.22672	0.7
99.04416	0.6
101.83005	0.3
103.05412	0.4
109.02862	1.4
112.07581	1.1
117.03360	11.4
118.09365	0.4
119.04932	0.9
127.03914	1.2
134.03598	0.7
135.04402	0.6
137.05949	0.9
140.07004	0.9
145.02827	37.4
146.03204	1.0
147.04378	1.1
149.04829	0.6
149.05954	4.5
150.06372	0.4
162.06808	0.8
177.05444	100.0
178.05840	3.4
179.05949	0.5
195.06516	1.3
206.04549	0.6
321.09686	4.4
339.10669	9.7
340.10983	0.4
426.10410	0.4
501.15836	0.9
596.05695	0.4
655.48431	0.5
672.37579	0.8
696.13684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02364	0.7
53.03928	0.9
55.01849	0.4
56.05009	0.2
59.04988	0.2
60.04508	0.3
63.02361	0.2
67.05478	0.4
70.06587	0.4
71.04975	1.0
72.04513	0.2
72.66745	0.2
73.22875	0.2
74.06062	1.8
75.04469	5.8
77.03918	1.3
79.05473	0.4
80.04972	0.2
81.03416	0.3
81.05790	0.2
81.07027	0.2
84.08138	0.2
85.02879	0.6
87.04459	1.4
88.07611	0.4
91.05450	1.1
93.07014	0.2
94.06564	1.1
95.04954	5.5
96.08103	0.3
97.06496	0.4
98.06039	0.3
99.04417	0.2
100.07596	0.8
101.06004	4.2
103.05419	0.3
105.03377	33.0
105.04395	2.3
105.07014	0.6
106.03731	0.5
106.06536	0.3
107.04929	0.5
107.07336	0.6
108.05737	0.2
108.08099	1.2
109.05258	1.3
109.06509	0.5
110.06049	0.3
111.08092	0.5
112.07590	0.3
114.99136	0.2
115.05442	0.5
117.06985	0.7
118.06506	0.4
120.08091	1.9
121.06484	0.9
122.06004	2.4
123.04483	0.2
123.06812	0.9
124.05162	0.2
124.07571	5.2
125.05972	0.3
128.06207	0.5
129.06996	1.5
130.08630	0.3
131.04967	0.3
131.07265	0.3
131.08566	0.5
132.08084	0.8
133.02870	0.5
133.08859	1.5
134.09615	1.6
134.53995	0.2
135.08116	0.2
136.07555	0.3
137.05931	0.4
137.08307	0.9
138.09114	4.9
138.10147	0.3
139.07521	2.7
141.06969	0.5
141.09048	0.4
143.08492	0.2
144.05739	0.3
144.08034	1.4
145.06445	0.5
145.08853	0.7
146.07234	0.2
146.09613	1.0
147.04395	0.5
147.06770	0.2
147.08054	0.5
148.07541	1.0
149.05937	0.2
150.09119	2.4
152.07068	0.5
155.08513	0.4
156.08084	0.3
157.06480	0.4
157.08896	0.4
158.07338	0.3
158.09613	2.1
159.08031	0.7
159.10417	0.4
160.07550	0.2
160.11192	0.6
161.08398	0.4
161.09549	1.0
162.09111	0.5
163.09909	0.2
164.10696	2.1
165.05666	0.2
165.07014	0.6
167.08514	0.5
168.10179	12.5
169.06485	0.2
169.10553	0.3
170.09628	3.0
171.08061	0.4
171.10271	0.6
172.07611	0.3
172.11220	0.6
173.05923	0.4
173.09579	0.2
174.09135	0.8
176.10703	0.9
178.07642	0.3
179.08543	0.8
181.06465	0.4
181.10176	0.3
182.09625	0.4
184.07523	0.3
186.09143	0.5
187.09909	0.6
188.07043	0.6
188.10690	1.5
189.09042	0.3
189.11534	0.7
190.07800	0.6
190.12236	0.8
191.08604	0.4
192.10326	0.2
193.10155	0.4
194.09673	0.4
194.11890	0.2
195.08023	0.4
196.08719	0.3
196.11139	0.3
197.09665	0.2
198.09059	0.4
200.10689	0.4
202.07773	0.4
202.12222	2.2
203.08559	0.7
203.10342	0.3
205.10155	0.9
206.09555	0.3
206.11659	0.3
207.08073	0.5
208.11250	0.4
209.09767	0.3
209.11804	0.3
212.10553	0.3
214.12291	0.4
215.08588	0.7
216.10237	0.4
218.07191	0.3
218.09697	0.3
218.11804	0.6
219.08052	0.5
220.09486	0.4
220.11403	0.4
221.09744	0.5
221.11775	0.2
223.11407	0.3
224.10648	0.5
226.12236	0.3
230.11763	0.3
231.08009	0.5
231.10310	0.3
232.11084	0.4
233.09625	0.8
233.11740	0.2
234.09033	0.2
234.12749	0.5
234.14923	2.1
235.07629	0.3
236.10703	0.7
237.09158	0.3
238.12289	0.6
239.96249	0.2
244.11223	0.2
246.12830	0.6
248.10620	0.9
249.09091	0.4
250.12242	0.6
251.10626	0.3
252.13730	0.5
254.11786	0.5
260.10657	0.5
261.09045	0.5
261.11517	0.3
262.12073	1.2
263.13052	0.2
264.13800	0.6
266.11774	0.5
268.13361	0.4
274.12317	0.8
276.10327	0.5
276.13794	0.3
278.11923	0.6
278.15268	0.4
280.13312	0.7
290.11700	0.7
291.12668	0.4
291.60120	0.2
292.09906	0.2
292.13226	0.5
294.14606	0.7
294.17099	0.9
296.12946	0.3
296.16455	0.2
302.11874	0.3
304.13501	0.2
306.14844	0.9
308.12866	0.5
310.14505	0.3
310.17868	0.2
312.16025	0.3
320.12717	0.3
320.18787	0.2
322.14435	0.6
324.15839	0.9
326.17563	0.4
334.14346	0.3
338.17487	0.6
342.20609	1.2
354.16916	0.2
356.18552	0.8
358.19800	0.2
366.17340	0.3
370.20084	6.1
371.20325	0.3
384.17749	0.2
396.18042	0.3
398.19559	1.4
402.22766	2.5
420.18283	0.2
428.19724	0.2
430.22168	19.5
431.22696	1.1
444.20154	0.5
445.39581	0.2
458.21655	0.2
460.21191	0.2
492.23743	5.1
493.23990	0.3
506.21548	0.3
520.23267	1.7
548.22766	0.7
552.25836	21.6
553.26105	1.9
580.25427	1.9
612.27911	32.3
613.28156	2.3
655.17279	0.2
672.30005	100.0
673.30359	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	672.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.77882	0.5
55.01861	1.3
55.05503	4.7
57.03437	3.1
57.07068	34.2
61.02629	0.9
61.02918	14.7
67.05492	11.2
69.03400	1.5
69.06706	0.6
69.07056	7.7
69.22723	2.6
71.04954	0.6
71.08621	27.6
73.02901	4.7
75.04459	2.0
79.05482	2.8
81.03406	1.4
81.07044	17.2
83.04993	0.6
83.08114	0.6
83.08607	11.4
85.02889	19.1
85.06544	0.9
85.10168	17.2
89.05977	0.8
91.03941	14.4
91.05463	1.7
92.04914	0.5
93.07018	2.4
95.04940	2.1
95.08592	21.4
95.25145	0.5
97.02877	7.6
97.06466	0.7
97.10163	5.1
98.23521	0.9
99.04421	0.9
99.11726	0.8
105.07024	1.2
107.04939	1.1
107.08575	1.3
109.02809	1.1
109.06499	1.1
109.10142	12.2
111.11665	0.8
115.03879	0.9
117.07001	0.9
119.08566	1.1
121.10120	1.1
123.11671	4.8
125.13214	0.9
127.03892	5.1
133.10117	1.0
133.30869	0.5
135.08081	0.5
135.11655	0.7
137.13257	2.0
139.42987	0.6
145.04932	7.7
145.10083	1.0
149.09616	0.6
151.14784	1.0
157.09962	0.5
163.05991	12.5
172.48228	0.5
221.22638	1.3
239.23647	23.0
240.24213	0.7
243.17146	0.6
257.24753	3.6
275.19919	1.2
289.18008	0.9
293.21030	0.7
313.27304	100.0
314.27554	3.2
331.28363	34.5
332.28757	1.4
346.26031	0.6
482.52499	0.5
637.41010	0.6
655.41187	1.0
672.42194	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.3
57.03422	7.6
58.06582	2.6
60.08138	4.9
61.02909	4.4
67.05498	47.5
69.07046	4.5
70.40090	4.3
71.04996	3.1
71.07381	2.3
79.05479	24.9
81.03412	2.6
81.07050	28.5
83.04939	2.1
83.08598	6.0
85.02885	2.7
85.06514	3.3
86.09702	21.0
87.77324	2.1
91.05476	12.3
93.07048	23.7
95.04970	6.3
95.08614	15.9
96.99425	1.9
97.06520	3.6
99.08128	2.5
105.07024	9.8
107.08560	7.2
109.06451	3.2
109.10136	36.9
114.87057	2.4
117.07005	3.1
119.08563	7.7
121.10107	13.4
123.08028	2.4
123.11699	2.6
124.99987	8.6
127.03905	2.3
127.11159	2.1
131.08553	6.3
133.10106	6.9
135.11665	13.2
136.01588	2.3
137.09610	4.0
145.10068	5.6
147.11708	4.5
149.13200	6.8
155.10693	3.1
159.11613	4.7
173.11746	16.7
173.13100	3.1
184.07321	66.2
189.16249	2.4
205.19524	3.2
215.17900	22.1
227.12875	3.1
229.14308	100.0
233.18954	22.4
275.19952	2.9
291.19379	6.4
307.22623	74.9
308.22961	4.5
348.56274	2.4
461.32587	51.4
462.32822	3.1
559.28766	2.5
623.00720	2.9
672.42102	19.7
673.42126	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	672.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.7
57.07067	33.9
61.99181	1.5
69.07052	6.8
69.07399	1.5
71.08623	30.1
73.06545	9.3
81.07032	2.0
83.08619	4.6
85.10172	20.6
85.21304	1.7
87.04453	7.4
89.06017	100.0
97.10172	3.3
98.35631	2.0
99.11708	1.8
107.07053	2.8
117.09118	5.5
130.08675	2.2
133.08592	34.3
161.11852	2.1
177.11223	13.2
221.13841	1.8
225.94041	1.9
283.17609	2.0
285.27805	3.9
377.84091	1.9
673.25848	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09473	0.2
54.67202	0.2
55.05467	0.3
57.24514	0.2
67.05473	0.3
79.05451	0.4
81.06998	0.6
89.89944	0.2
91.05449	0.3
93.07061	0.2
95.08562	0.2
102.34521	0.2
107.08548	0.2
108.91607	0.2
122.05941	0.3
138.05481	1.4
150.05464	0.7
150.47534	0.2
152.03415	0.6
154.04893	0.3
164.03369	0.6
165.07022	0.2
178.07658	0.3
179.08540	0.2
189.06975	0.3
190.07753	0.2
191.08559	1.3
191.10080	0.3
194.07243	0.4
195.08098	0.2
203.08542	0.2
205.06430	0.6
206.07176	0.6
207.07945	1.0
208.08755	0.7
209.09604	0.4
217.06441	0.5
218.07281	1.1
219.08026	2.2
220.08820	2.0
221.09578	2.0
222.06773	0.7
223.07425	0.3
223.11174	1.4
224.08298	0.4
231.08017	0.5
232.08771	0.4
233.05948	1.7
233.09523	1.1
234.06702	4.9
235.07481	2.4
236.08249	4.7
237.09071	2.3
239.10651	0.8
245.06927	0.2
247.07420	1.5
248.08318	0.9
249.09070	10.4
250.06201	0.7
250.09604	1.0
251.10628	6.0
252.07782	0.9
253.08630	0.2
259.07538	0.2
261.05560	0.3
261.08954	0.4
262.06238	0.5
262.09875	0.9
263.07114	1.0
263.10437	1.0
264.07819	1.1
264.11142	0.2
265.08551	16.0
266.08978	0.8
267.10153	2.1
268.10660	0.2
268.16327	0.2
275.07104	0.5
276.07785	0.5
277.08551	14.7
278.06024	0.4
278.09198	1.9
279.10114	13.6
280.07477	0.4
280.10556	0.8
281.08344	0.3
281.11652	0.6
290.09351	0.5
291.10086	0.4
292.10883	26.8
293.08060	25.2
293.11407	2.6
294.08823	0.9
294.12439	27.1
295.09625	10.8
295.12772	1.1
296.10202	0.9
303.10480	0.2
308.10370	30.1
309.10803	1.3
310.11932	12.2
311.12552	2.0
315.10129	0.3
323.12720	100.0
324.13083	4.2
325.14273	16.1
326.14532	0.5
329.07660	2.1
329.11377	0.4
357.11005	0.3
361.10358	0.6
372.13455	1.5
382.10614	0.4
385.09631	0.2
396.12500	0.3
398.09998	0.2
400.12198	1.2
403.15317	0.9
410.09967	0.2
411.10812	0.2
412.11838	0.6
426.13361	0.4
427.14023	1.0
428.11026	1.3
431.14832	1.6
442.12973	0.6
443.13483	0.7
444.14368	0.3
448.17551	1.4
458.15884	4.7
459.16559	0.4
476.16959	10.9
477.17313	0.6
508.15814	0.4
580.48590	0.2
673.33325	0.2
674.32837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44058	0.5
56.05024	0.8
58.06593	96.3
69.32932	1.9
69.33336	1.0
70.06576	0.8
72.08147	1.7
76.53063	0.5
79.02278	0.5
84.12849	0.5
93.07051	0.7
95.08573	0.6
105.07024	0.7
107.08585	0.5
109.10107	0.8
119.08586	0.6
120.08099	1.6
121.02875	0.6
123.03187	0.7
134.59067	0.5
151.02675	0.8
153.01804	0.7
164.03468	0.9
165.07021	0.6
166.04987	10.0
166.06351	0.7
167.04793	0.6
168.02960	1.5
169.03728	2.4
178.07657	1.0
179.08531	1.0
182.04497	1.5
184.07382	0.8
189.07010	0.8
192.02893	1.1
193.06520	1.2
196.06017	0.9
205.06300	0.6
206.07260	0.9
207.08055	3.9
218.07344	0.7
221.06052	1.4
223.07549	1.4
227.81842	0.5
234.06775	0.7
235.07523	7.9
236.08305	1.3
237.05528	0.8
238.06212	8.4
238.08357	0.6
249.05429	1.2
251.07024	4.2
252.07744	6.5
253.08693	2.7
255.08014	1.0
257.09509	0.6
263.06995	5.6
264.04608	0.7
264.07733	1.4
265.08508	0.7
266.05643	0.9
266.09497	1.2
267.10266	0.8
269.09732	0.9
271.07593	0.7
272.08304	0.7
273.09225	0.6
279.06485	10.2
280.07220	1.2
281.08047	22.0
281.11047	1.1
282.08783	1.3
283.07309	1.1
284.08386	0.6
285.02698	1.9
285.09329	0.7
287.10657	1.3
295.09750	3.3
296.06845	6.3
296.10489	17.6
296.13696	1.1
297.08981	1.0
299.06982	1.5
300.05066	9.2
300.07877	1.8
301.08536	0.9
311.09235	13.3
313.08502	0.9
314.09119	1.0
315.09967	2.5
325.08679	1.4
326.09305	0.6
327.06573	1.2
328.07269	4.2
329.07986	0.7
330.08795	0.6
339.06647	0.8
341.08298	0.9
342.08807	1.3
343.09573	4.0
344.10309	0.7
345.07394	1.1
353.08063	1.0
356.06693	3.0
357.07617	1.3
358.08276	0.6
359.09085	0.8
370.08582	0.7
371.09125	9.1
372.09949	1.0
373.10800	1.5
388.09424	2.6
389.09949	0.7
399.08682	3.4
401.10306	1.4
403.11758	26.0
404.12219	1.8
405.13568	0.9
416.09009	1.4
418.10400	20.9
419.10800	1.3
420.12024	0.9
422.12503	0.7
431.11307	13.8
432.11841	0.7
433.12787	1.7
476.17117	7.3
494.18039	0.7
521.11176	0.7
563.11902	0.9
564.13184	3.5
596.15393	14.0
598.16846	1.3
628.18085	4.8
641.20410	0.9
673.23810	100.0
674.23950	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	673.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01924	1.0
51.02372	1.4
53.03934	1.8
55.01869	1.3
55.05508	3.3
57.03436	2.6
58.06602	2.7
61.02918	11.8
67.05482	9.4
69.03410	6.9
69.07066	2.9
71.04992	3.2
73.02922	4.9
74.69305	1.0
75.04470	1.3
79.05497	6.0
81.03410	6.3
81.07042	10.2
83.04967	2.0
85.02901	14.2
85.06535	1.5
91.03967	7.3
91.05465	6.3
93.07034	7.3
95.04955	5.9
95.08588	5.5
97.02885	12.1
97.06515	1.3
99.04477	1.6
101.02367	2.6
105.03381	22.0
105.04490	1.9
105.07005	6.6
107.08612	3.9
109.02890	2.4
109.06557	2.4
109.10174	6.5
112.00438	1.1
117.07037	2.9
119.08612	4.4
121.06541	1.8
121.10181	3.8
127.03923	5.4
129.07014	2.8
129.10223	1.1
131.08578	4.4
133.10155	4.8
135.08023	1.9
135.11699	2.1
143.08548	1.5
145.05003	2.0
145.10153	3.1
147.08105	1.9
147.11705	3.3
149.09676	3.8
155.08615	1.6
157.10220	2.2
159.11774	1.3
163.11281	2.4
165.07059	1.1
168.10367	1.4
171.11641	1.7
173.11824	1.5
173.13274	1.3
175.11247	1.6
183.06436	1.6
213.16127	1.1
225.14841	1.3
241.81010	1.1
243.08548	2.5
257.18918	1.7
267.15820	1.9
275.20010	23.3
275.22861	1.5
283.15286	2.8
285.41434	1.3
287.20193	1.2
293.21118	5.8
335.54083	1.2
349.23715	14.3
349.26984	1.2
353.65439	1.4
391.24814	4.4
397.48398	1.4
413.17731	9.5
431.22751	2.9
457.26266	1.7
457.33093	1.3
493.28134	3.2
501.23013	6.9
553.26422	2.0
613.28784	3.9
614.29706	2.7
635.26251	1.4
673.33948	100.0
674.31836	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	673.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45278	1.6
52.36452	1.5
53.03940	7.7
55.01867	25.7
55.05502	85.1
57.03435	9.0
57.07063	1.9
59.04996	3.1
65.03940	6.0
67.05498	78.2
68.56989	1.4
69.03426	6.7
69.07062	50.9
69.62274	3.4
69.62661	3.3
71.04980	9.5
77.03902	3.5
79.05482	94.3
81.03406	16.2
81.07046	97.2
83.04967	30.7
83.05420	2.5
83.08608	47.5
83.09089	3.0
85.02910	9.6
85.06558	4.9
91.05471	74.3
93.07035	68.7
95.04955	100.0
95.08594	40.3
95.09192	1.9
97.02879	3.0
97.06522	15.5
97.10158	27.4
98.22726	2.5
99.00805	7.7
99.04453	14.5
99.08080	3.3
103.05462	2.7
105.04546	5.3
105.07018	57.0
107.04943	27.3
107.08580	69.7
109.02872	11.5
109.06503	23.8
109.10161	23.9
111.04430	27.7
111.08084	14.9
115.05457	5.0
116.06287	1.9
117.07006	30.6
119.04922	2.1
119.08566	48.4
121.06498	16.9
121.10130	32.7
121.10964	2.1
123.04441	6.0
123.08049	13.8
123.11738	5.2
125.06011	2.9
125.09615	30.2
127.03925	1.6
128.06210	2.6
129.07010	7.3
130.07803	2.6
131.08554	28.6
133.06502	6.1
133.10109	36.0
135.04434	2.2
135.08034	26.8
135.11670	15.5
137.06003	2.4
137.09610	9.6
139.07527	3.7
139.11176	4.5
141.06993	4.5
143.08559	11.7
145.06522	6.5
145.10107	36.0
147.08018	12.0
147.11647	15.5
149.09604	37.2
149.13338	2.1
151.11203	6.7
153.09106	6.0
153.12769	3.7
155.08604	5.2
157.10149	7.7
159.08002	10.2
159.11646	13.5
161.09567	13.6
161.13251	4.2
163.07552	13.6
163.11160	42.8
165.09140	2.8
165.12756	5.8
167.10701	2.4
169.10132	5.2
171.04111	1.7
171.08040	2.9
171.10223	4.3
171.11734	5.5
173.09656	6.1
173.11829	3.0
173.13327	4.4
175.11215	5.9
177.09164	3.4
177.12781	6.3
179.10680	5.8
181.12184	5.0
183.11679	4.2
187.11217	5.6
187.14919	1.7
189.09180	4.8
189.11253	27.5
189.12776	3.0
191.10721	6.9
191.14317	2.4
193.04938	2.4
193.12198	28.1
193.13683	2.5
200.47519	1.8
201.12808	2.4
205.12238	8.7
207.13770	2.2
209.11705	2.3
211.13264	4.0
213.12926	1.6
215.17992	2.3
219.13762	2.0
223.13260	95.1
224.13704	4.4
225.11169	2.8
227.12793	7.6
229.19595	4.6
239.18008	6.1
243.17447	5.5
247.20560	3.6
257.18951	14.9
261.18567	7.1
271.16861	8.2
273.18518	2.9
275.20029	97.4
276.20419	2.3
279.19620	1.9
289.17947	31.0
291.19659	4.5
293.21063	55.7
294.21365	2.3
307.19083	5.0
311.22067	2.1
347.22000	2.0
349.23740	20.3
363.21698	11.9
367.24924	7.6
381.22659	8.4
429.11990	3.4
637.41016	5.8
655.41809	16.6
673.43011	92.2
674.43634	5.2
700.91058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32993	0.6
53.03932	2.8
55.01863	13.5
55.05504	32.4
57.03428	8.1
57.07064	1.8
58.06591	0.9
59.05001	2.3
65.03923	3.8
67.05494	42.6
69.03416	4.2
69.07055	17.1
70.06571	2.0
71.04983	4.6
71.08641	0.9
73.02862	0.9
77.03922	1.5
79.05482	49.7
80.05827	1.0
81.03411	11.5
81.07044	100.0
82.07374	1.3
83.04966	20.3
83.08607	17.4
85.02887	4.9
85.06526	2.1
88.07621	1.8
91.05466	30.9
91.06045	1.5
93.07030	33.9
94.07362	0.9
95.04956	29.1
95.08589	23.2
97.02897	1.0
97.06519	10.0
97.10152	18.7
98.22676	1.8
99.04444	3.1
99.08067	2.1
101.09616	0.8
102.09135	1.0
103.05459	1.0
105.03410	1.6
105.04523	1.8
105.07018	28.7
107.04933	13.9
107.08581	25.9
109.06504	14.8
109.10140	14.0
111.04425	20.1
111.08068	9.2
115.05443	2.3
117.07005	15.8
119.04900	1.4
119.08559	30.7
121.06482	13.8
121.07304	1.0
121.10119	12.9
123.04440	1.3
123.07148	1.4
123.08053	28.8
123.11667	1.9
125.05968	1.9
125.09606	17.0
128.06218	2.1
129.05461	1.2
129.06993	9.2
130.07742	1.2
131.04921	2.0
131.08543	17.2
132.05743	0.8
133.06470	6.0
133.10114	10.6
135.04425	0.8
135.08029	9.3
135.11673	11.9
137.09589	7.3
139.11140	1.7
141.06979	2.9
142.07756	2.2
143.08554	9.1
143.10692	1.0
145.06447	4.2
145.10097	18.6
146.07280	1.0
147.08025	14.0
147.11649	6.2
149.02336	7.4
149.09581	9.5
149.13252	2.3
151.11214	1.5
153.09131	3.8
153.12721	9.1
155.08513	3.8
157.06409	1.4
157.10114	8.6
159.08018	4.2
159.11661	6.0
161.09604	12.1
161.13187	1.8
163.07520	0.8
163.11153	22.0
165.09096	6.4
165.12706	1.9
167.08545	1.6
169.10168	3.2
171.08054	1.2
171.10156	1.9
171.11699	5.2
173.09636	4.0
173.13196	1.4
175.11116	6.1
175.14716	0.9
177.09175	0.9
177.12744	2.6
179.10646	1.3
181.10059	1.5
181.12234	10.7
183.11699	2.1
185.09570	2.1
185.13254	2.6
187.11159	2.2
187.14769	1.3
189.11191	18.3
189.12679	2.2
191.10631	9.1
191.14172	0.9
193.04968	5.8
193.12160	5.2
195.11687	2.4
197.09639	0.8
197.13216	1.2
199.11186	3.0
199.14824	0.9
200.35350	0.7
201.12735	1.1
203.10626	1.3
203.14291	1.8
203.18005	1.0
205.12215	2.0
209.11739	3.0
211.13148	1.4
211.14970	1.0
213.12807	1.6
213.16371	1.1
215.14342	1.2
217.15652	1.1
219.13651	0.6
223.13184	7.0
227.12683	19.2
227.14629	1.4
227.17928	3.0
228.23132	4.0
231.13846	0.9
231.17374	1.6
237.07596	1.6
237.16444	1.6
243.17435	0.8
245.18956	5.5
249.14865	3.2
255.17496	3.7
263.20090	1.4
271.16959	1.8
272.25702	2.3
273.18448	55.9
274.18811	2.1
275.20020	2.7
283.15402	5.4
289.18030	1.2
291.19498	79.9
292.19833	2.9
309.20435	4.1
311.19977	0.9
329.21042	3.2
339.23099	0.9
347.22122	19.8
348.22498	1.2
365.23178	28.4
366.23581	1.6
383.24243	3.8
425.26572	0.7
427.90512	0.8
429.11734	2.7
473.14642	1.2
475.30493	1.0
477.28406	2.1
483.30722	0.9
513.31622	1.2
531.33142	1.2
545.35352	1.2
557.34717	1.9
563.37305	1.5
573.34534	1.0
575.36047	0.9
581.38123	1.9
591.35669	0.8
619.39807	1.1
637.40710	6.1
655.41852	15.2
656.42474	1.7
673.43060	17.7
674.34814	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	674.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
53.42466	0.2
55.01862	0.4
56.07076	0.2
57.03419	0.3
61.02917	0.9
62.84094	0.2
67.00565	0.2
67.04232	0.4
69.03425	1.8
69.44484	0.9
73.02903	0.4
79.05460	0.4
81.03397	0.8
82.02934	0.3
82.06583	0.2
85.02890	7.0
91.03915	0.3
92.04984	0.8
93.03405	0.5
95.03685	0.5
97.02876	2.1
98.22726	0.4
99.04438	0.4
107.04935	2.2
109.02870	0.7
109.05175	0.2
110.02407	0.4
110.06010	2.0
111.04442	0.4
120.04465	0.5
123.03150	1.8
123.03915	0.2
123.04407	0.3
127.03887	1.5
132.29733	0.2
133.95616	0.2
135.04391	2.0
136.03938	0.3
137.05899	0.3
138.05469	0.3
145.04951	2.1
148.03903	1.0
151.02621	4.0
153.05440	4.2
163.02533	0.2
163.30031	0.2
165.04166	0.7
166.04968	100.0
167.05327	1.5
168.06529	0.3
169.03673	11.5
178.05013	1.3
180.06549	0.7
187.18692	0.2
190.04942	0.4
198.07581	39.4
199.07870	0.7
208.05919	1.1
222.07538	0.3
240.08617	1.1
244.05997	1.0
250.51782	0.2
272.05405	0.4
274.06949	0.3
276.08627	0.4
292.08093	0.7
318.09592	1.9
324.10544	0.7
328.10254	1.5
342.11786	0.8
350.12042	1.2
360.12820	2.9
391.85043	0.3
480.14606	0.6
674.26129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01848	0.4
55.92195	0.2
57.03421	0.8
60.64063	0.2
60.86943	0.2
61.02913	1.3
63.67149	0.2
69.03418	3.6
70.06586	0.3
71.01327	0.2
71.45582	0.3
73.02899	0.4
79.05473	0.7
81.03396	1.5
85.02890	14.8
87.04446	0.5
91.03944	0.3
91.05483	0.4
96.02041	0.2
97.02882	3.5
99.04433	0.7
107.04929	4.3
109.02876	1.4
111.04417	2.0
115.03905	0.3
121.02866	0.5
123.04405	0.3
127.03911	2.6
131.04980	0.3
135.04395	4.2
136.06134	0.2
137.05968	3.1
138.05473	10.4
145.04939	2.9
146.05998	0.2
148.03954	0.4
153.05450	8.1
163.06035	0.4
164.03304	0.4
164.07106	0.4
166.04967	100.0
167.05319	2.1
178.04959	2.1
180.06514	0.7
184.06020	0.8
190.04924	0.3
196.05966	0.4
198.07579	36.7
199.07959	0.6
208.06041	1.5
219.06540	0.2
220.06058	0.3
233.13820	0.3
240.08591	1.2
244.06015	2.4
274.06918	0.6
292.08163	0.3
314.13766	0.6
315.14105	0.3
324.10779	1.6
328.10233	0.3
342.11807	0.5
346.11182	0.8
360.12839	3.1
486.23260	0.3
494.20947	0.3
527.79486	0.3
674.27802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03933	2.0
60.46906	0.4
69.14958	2.5
75.04467	2.5
77.03917	2.0
79.05487	0.9
81.07027	0.5
82.06567	0.4
85.02888	1.7
91.05453	1.4
94.06542	0.9
95.04954	9.5
101.06009	0.4
105.03378	63.2
105.04508	2.8
105.07004	1.0
106.03726	1.2
107.07278	0.6
108.08130	1.3
109.06515	1.0
111.08052	1.8
115.05443	0.5
117.07021	0.8
120.08077	0.9
121.06483	0.8
124.07549	0.6
128.06178	0.7
129.07022	2.1
131.08574	1.8
132.08070	1.1
133.02885	0.5
134.09662	0.6
135.08052	1.0
137.05981	0.8
137.63809	0.4
138.09091	2.7
138.82507	0.5
141.06961	1.0
143.08542	0.6
144.08090	1.1
146.05980	1.2
146.09636	0.7
147.04398	0.5
147.08047	0.8
148.07547	0.6
153.06989	0.6
155.08571	0.6
157.08820	0.5
158.09607	1.1
159.08060	0.7
159.10300	0.6
160.07567	3.9
161.06059	0.5
161.09587	0.8
164.10744	0.9
165.05554	0.9
165.07011	1.4
167.08601	1.0
169.06523	0.6
170.09633	1.2
171.08044	0.7
172.11261	1.4
174.05528	1.6
176.06982	0.6
176.10767	0.7
178.07785	0.7
179.08557	1.5
181.10069	0.6
182.09575	0.6
184.11160	0.7
188.07040	0.6
190.07785	1.2
190.12292	0.6
191.08577	1.5
193.10147	0.9
196.11195	0.6
197.09660	0.6
202.07774	1.4
203.08557	1.9
204.13814	2.8
205.10118	2.1
207.08153	1.0
209.09602	0.8
215.08557	0.6
217.10207	1.0
218.07426	0.6
219.08099	0.7
221.09645	0.6
223.11194	0.5
232.08943	0.6
233.09592	2.4
234.15271	0.5
235.11217	0.9
245.09633	0.5
247.11148	0.5
251.10649	0.9
261.09009	1.1
263.10709	0.6
264.13840	0.7
265.12259	0.7
276.13980	0.7
292.13208	0.9
293.11746	1.3
304.13373	0.9
308.16348	1.0
310.14352	0.7
328.66562	0.5
336.16031	1.6
340.18933	1.5
344.22012	0.5
368.18686	1.0
372.21887	1.1
396.18027	2.9
400.21164	1.1
432.23590	1.5
458.19608	0.6
459.82104	0.5
462.22830	2.1
464.20819	1.0
465.45087	0.5
490.21951	3.1
494.25494	1.2
522.24811	4.8
550.24164	0.5
554.27173	4.0
555.27319	0.5
582.26801	3.4
614.29370	12.5
615.30719	0.9
649.95282	0.5
674.31555	100.0
675.31903	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	674.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.9
53.03936	1.7
58.06589	0.8
67.05510	0.7
74.06073	0.9
75.04480	4.5
77.03920	1.1
79.05495	1.6
81.03369	0.6
81.07042	0.9
82.06573	0.8
85.02912	1.2
87.04460	0.6
88.07631	0.9
91.05464	2.8
93.07059	0.8
93.71472	0.6
94.06564	3.7
95.04951	6.7
101.06006	0.8
103.05453	1.3
105.03376	43.8
105.04522	1.9
105.07012	3.4
106.03716	0.7
107.04991	0.6
107.07339	1.1
107.08603	0.7
108.08106	2.0
109.06530	1.1
111.08084	2.0
115.05414	1.4
117.07021	2.2
118.06547	0.5
119.04967	0.5
119.08588	0.9
120.08096	0.7
121.06484	1.5
123.04422	1.0
124.07607	1.0
128.06197	1.0
129.07002	1.9
131.04900	0.5
131.07349	1.2
132.08104	1.2
133.06476	0.6
133.08917	0.8
134.46149	0.5
135.08055	1.2
136.07579	0.8
137.05962	0.9
138.09181	1.9
141.06985	0.8
144.05704	0.6
144.08064	3.0
145.06496	2.0
145.08835	0.7
146.09647	3.7
147.04503	0.7
147.06932	0.6
147.08083	1.5
148.07631	0.6
149.05959	1.8
150.09106	1.1
157.06534	0.8
158.09656	1.3
159.08055	1.1
160.07590	1.8
161.09885	0.5
162.09148	1.5
163.07553	0.9
164.10712	1.1
165.07054	1.5
167.08525	0.9
169.06464	0.6
169.08908	0.7
170.09627	1.3
171.08076	0.9
172.07516	0.6
174.09114	0.9
175.07645	0.7
176.10696	0.7
178.07805	1.5
179.08583	1.7
181.06479	0.5
186.09171	0.9
188.10667	1.0
190.07724	0.7
191.08553	2.5
193.10129	1.1
194.09698	0.9
196.11148	0.6
200.10751	0.6
202.07761	2.1
203.08586	1.6
204.10193	0.7
204.13991	0.6
205.10097	2.5
207.08099	1.8
208.08923	1.0
208.11336	0.5
209.09546	1.0
211.09715	0.6
212.10902	0.7
214.12350	0.6
215.08568	1.8
217.10161	1.9
218.07378	0.9
218.09697	0.6
218.11731	0.8
219.07980	3.8
220.08693	0.6
220.11183	0.6
221.09525	2.9
223.11145	0.8
226.12270	0.6
231.08017	1.2
232.08746	0.6
232.11043	0.6
233.09650	2.0
234.12685	0.8
235.07555	0.6
235.11208	1.5
236.10817	0.5
237.09103	0.9
239.10837	0.7
245.09619	1.7
246.12747	0.8
248.10725	1.8
248.14417	0.9
249.09079	0.6
249.12990	0.6
250.09914	0.7
250.12117	0.9
251.10683	2.4
261.08994	0.9
262.09894	0.6
262.12390	1.6
263.10797	0.7
267.13504	0.6
275.10629	0.8
276.13916	1.1
278.11902	0.7
279.09872	0.6
280.13174	0.7
292.13467	0.9
293.11624	0.9
294.14771	0.9
304.13263	0.9
336.16046	1.3
342.17261	0.6
353.46957	0.5
368.18442	1.0
458.19492	1.1
464.20493	1.5
490.22144	4.1
522.24884	7.0
554.27344	4.6
582.26874	6.2
583.26978	0.6
614.29456	16.3
615.29663	1.2
674.31573	100.0
675.31891	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	674.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98102	1.6
55.01863	5.0
55.05502	47.6
57.03431	14.7
57.07069	3.3
61.02922	4.5
64.96932	1.6
67.05153	3.6
67.05495	52.6
69.03423	5.3
69.07060	13.8
71.04978	4.8
73.02916	2.5
76.33497	1.6
79.05482	46.2
80.05820	2.0
81.03394	3.4
81.07047	54.4
82.07344	1.6
83.04992	5.1
83.08613	29.6
83.35780	1.9
85.02898	6.1
85.06539	5.4
91.05461	20.8
93.07029	43.9
93.07598	2.9
95.04955	9.3
95.08601	24.7
97.06525	5.0
97.10155	58.8
98.10514	1.9
99.08059	2.6
101.09685	1.9
105.07001	14.7
107.04939	4.0
107.08577	34.2
109.05840	1.7
109.06499	8.1
109.10125	13.5
111.08084	4.0
113.09629	2.4
117.07018	7.8
119.08562	11.8
121.06498	2.3
121.10136	22.0
123.08046	2.7
123.11686	5.8
125.09618	51.7
126.11572	1.6
127.03952	2.1
131.08519	10.1
133.10085	13.0
135.08054	5.9
135.11696	21.4
137.09537	2.1
143.08627	1.7
143.10713	3.3
145.10094	10.3
147.11658	7.1
149.02327	2.8
149.09601	3.0
149.13231	8.5
153.09126	2.7
159.11668	9.3
161.09645	2.4
161.13234	1.8
163.11182	2.8
171.10156	5.0
171.11618	1.7
173.13232	6.7
189.11192	41.3
193.04883	2.2
205.19484	2.7
215.17924	27.8
227.10387	2.0
227.12726	66.6
233.18958	23.6
245.13800	100.0
249.45645	1.7
251.20154	2.0
273.18387	2.7
275.19998	2.9
289.21631	1.9
291.19504	9.1
292.19879	3.6
305.65466	1.9
307.22617	92.0
308.22995	2.7
429.11713	2.3
459.31232	5.5
477.32037	50.7
478.32831	2.7
674.38446	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	674.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.0
55.05513	6.1
57.03423	1.8
57.07066	31.0
58.06596	1.3
67.05493	7.5
69.07051	5.4
71.04977	1.3
71.08621	20.9
72.54703	0.9
73.02901	1.2
73.06541	11.0
79.05485	5.7
81.03425	1.0
81.06608	1.1
81.07050	9.0
83.04955	1.6
83.08603	4.3
85.10171	21.1
87.04454	10.3
87.05322	0.8
89.06019	100.0
91.05476	3.8
93.07023	4.1
95.04945	2.8
95.08592	3.7
97.06528	1.1
97.10142	5.4
98.23479	2.7
98.86716	0.9
99.11732	3.4
103.07494	0.9
105.07020	4.0
107.04932	1.7
107.07042	2.8
107.08572	4.9
109.06482	1.1
109.10165	2.2
111.08089	1.2
117.06966	1.2
117.09105	8.6
119.08562	1.9
121.10144	1.2
125.09619	1.7
129.06978	1.3
130.08618	1.8
131.07040	3.4
131.08562	2.1
133.08588	52.3
133.10158	2.7
135.08043	1.0
145.10097	1.9
147.11678	1.5
149.09547	1.3
155.17874	4.6
159.11665	1.1
161.11705	2.9
163.11127	1.4
175.09659	1.5
177.11197	19.6
199.20563	3.1
217.14380	2.5
221.13773	4.0
243.23160	8.0
265.16797	1.1
273.18219	1.0
275.20029	3.5
276.20392	1.1
283.17343	1.7
287.25864	5.6
291.19626	1.9
327.20056	1.1
335.25732	2.4
349.23520	1.1
422.46625	1.0
477.35721	1.3
503.30377	1.7
656.42047	1.1
657.47559	3.1
675.35449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50309	0.7
67.05499	2.1
70.52789	0.7
71.04996	0.7
79.05484	1.9
81.03401	1.3
81.07053	2.1
82.72399	0.7
83.04969	1.1
83.08620	0.8
89.81215	0.6
91.05472	1.2
93.07024	1.7
95.08612	1.3
97.10180	0.7
98.23518	1.5
101.66167	0.7
104.98325	0.8
105.03400	2.0
105.07018	1.2
107.08583	1.0
111.08049	0.8
119.08586	1.4
135.11699	0.7
164.73097	0.6
244.16945	0.6
269.17432	1.2
291.19455	0.8
303.33664	0.8
426.52466	0.7
430.16290	1.0
441.19867	1.4
443.17117	1.5
444.18130	1.0
445.18918	2.5
457.15115	2.3
458.19470	0.8
467.12500	0.8
467.17953	1.1
468.13852	0.9
469.14917	2.0
470.15759	2.2
471.16714	3.0
472.17017	1.6
480.14188	1.6
481.15289	2.3
482.15771	2.5
483.16522	4.4
484.17337	1.4
485.18079	4.1
486.18967	1.0
494.15622	0.8
495.16672	9.7
496.17389	5.7
497.18149	10.4
498.18787	1.6
499.20258	1.0
500.17023	1.0
510.18552	0.9
513.17841	2.2
536.91595	0.7
555.18579	11.6
556.18854	0.9
566.66803	0.9
573.23334	3.6
574.64679	0.7
585.22888	0.7
617.22443	2.6
643.23822	4.1
645.21716	2.9
660.23993	4.8
675.26459	100.0
676.26678	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10287	0.5
59.72511	0.4
65.18791	0.5
67.05521	0.7
71.44630	0.6
74.54045	0.5
75.74724	0.5
79.05483	0.8
80.24746	0.5
81.07054	1.0
82.50327	0.5
93.07014	0.6
95.04960	1.1
95.08604	0.6
105.03367	1.2
105.06335	0.6
105.07002	0.6
111.80535	0.5
123.34492	0.5
124.77447	0.6
137.04454	0.5
154.64851	0.5
178.31439	0.5
185.39870	0.5
219.59946	0.5
295.38150	0.5
310.25162	0.6
399.14880	0.6
430.16418	0.7
441.15256	0.8
443.17157	0.7
444.18170	0.8
445.18234	1.2
453.15677	1.2
454.16733	1.0
455.13599	0.6
457.14377	0.7
467.13229	0.7
468.13553	2.4
469.14606	6.4
470.15695	1.8
471.16147	2.6
472.17703	0.8
473.18387	0.9
481.14966	2.6
482.15802	9.3
482.22137	0.9
483.16522	8.7
484.17157	1.9
485.18112	2.1
487.16135	0.6
495.16696	5.2
496.17569	5.1
497.18149	31.9
498.18704	3.5
499.19315	1.6
500.16849	0.9
510.19049	1.1
511.19769	3.2
512.20117	0.6
513.17761	1.3
515.19196	1.9
528.16632	1.5
529.17859	0.7
541.17395	0.8
542.18311	1.8
555.18481	6.6
556.19238	3.0
557.20026	2.4
569.20563	0.7
573.23175	2.0
616.21643	0.9
617.21802	1.5
629.22192	1.1
643.23865	6.1
644.24774	5.9
645.22595	2.0
657.25562	4.1
660.24164	2.2
675.26428	100.0
676.26886	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	675.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01863	8.6
55.05253	1.6
55.05507	27.2
57.03424	3.8
57.07079	0.8
59.05005	1.0
60.92051	0.9
61.74300	0.8
65.03925	3.0
67.05495	30.4
69.03410	3.8
69.07059	12.8
71.04977	3.5
71.08661	0.8
71.43711	0.9
79.05483	47.8
80.05836	1.1
81.03402	5.6
81.07046	100.0
82.07366	2.5
83.04974	13.2
83.08608	15.2
85.02903	6.3
85.06535	1.4
91.05466	29.3
92.05788	1.8
93.06439	1.7
93.07029	28.5
95.04956	35.5
95.08591	17.9
96.05251	0.9
97.06500	4.7
97.10155	10.3
99.04446	2.9
105.03374	0.9
105.04515	1.8
105.07016	24.2
107.04948	11.7
107.08580	19.2
109.06503	40.2
109.10132	9.1
111.04427	15.0
111.08044	6.5
115.05425	2.2
117.06993	15.4
119.04924	1.2
119.07729	1.8
119.08565	28.7
121.06503	10.0
121.10126	13.8
123.04348	1.8
123.08051	7.6
123.11725	1.7
125.09612	9.6
128.06221	1.8
129.06996	6.8
130.07796	1.3
131.08560	15.6
133.06482	4.0
133.10115	10.4
135.08026	7.2
135.11681	9.2
137.09598	3.9
139.11174	2.4
141.07005	1.2
143.08554	4.2
145.06529	1.7
145.10103	19.0
147.08014	11.3
147.11679	6.2
149.09595	15.3
149.13228	1.7
151.07646	1.0
151.11176	1.9
153.09111	2.0
153.12714	3.8
154.07921	0.8
155.08510	1.0
157.10071	5.9
159.08046	2.6
159.11673	7.1
161.09621	7.8
161.13187	0.9
163.11150	16.0
164.11534	1.3
165.09093	3.4
165.12735	1.5
167.08580	1.1
169.10101	2.5
171.10236	0.9
171.11589	2.0
173.09583	2.6
173.13252	3.1
175.11151	2.9
181.12234	3.2
182.54292	0.8
183.11668	1.8
185.13272	1.0
187.11139	2.4
189.11223	7.5
189.12695	1.2
191.10596	2.9
191.14244	1.2
193.12228	1.9
195.11684	1.2
199.11185	1.4
199.14792	1.4
205.12288	1.2
223.13263	18.3
224.13589	0.9
227.12756	3.3
227.17908	1.5
229.19550	1.9
237.16484	1.0
239.17989	1.2
245.18968	2.3
247.20497	1.8
249.14822	4.5
255.17453	2.8
257.18991	2.8
273.18454	26.4
274.18771	1.5
275.17014	1.5
275.20035	24.8
276.20404	1.1
283.15341	2.0
291.19501	74.4
292.19827	2.5
293.21088	10.4
309.20511	1.4
347.22095	8.8
349.23691	11.4
356.03668	1.0
365.23264	11.6
367.24765	9.9
454.09695	0.9
621.40790	2.4
639.42639	7.7
657.43536	12.6
675.38965	1.3
676.28784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69147	1.3
53.03939	4.9
55.01859	9.7
55.05503	31.4
55.53319	1.3
57.03422	3.8
57.07067	4.8
64.15757	1.4
67.05494	36.3
69.03412	4.6
69.07062	15.2
71.04987	3.0
71.08608	2.4
71.55232	1.4
79.05477	53.4
80.05833	1.6
81.03406	7.0
81.07041	100.0
83.04968	12.8
83.08609	21.0
83.27789	1.4
85.02909	2.3
85.10181	1.8
87.04440	2.0
89.06015	12.6
90.06365	1.7
91.05460	30.8
93.07028	36.7
95.04952	36.0
95.05521	2.5
95.08591	19.8
97.02883	1.9
97.06519	6.4
97.10139	9.4
99.04426	1.9
99.08092	1.8
99.98344	1.8
105.04516	2.2
105.07006	29.4
107.04940	14.1
107.05594	2.0
107.08572	20.2
109.06500	44.3
109.07213	2.9
109.10133	12.4
111.04429	10.9
111.08041	7.5
113.06004	2.4
115.05416	1.8
116.06210	1.6
117.07011	15.6
119.08561	25.9
121.06476	8.2
121.10146	15.2
123.08035	7.4
123.11713	2.4
125.09609	9.0
128.06152	1.5
129.07011	5.1
130.07755	2.9
131.08539	13.6
133.06400	3.3
133.08582	7.1
133.10107	10.1
135.08009	9.1
135.11659	5.4
135.94205	1.4
137.09634	4.5
142.07748	1.5
143.08551	6.4
145.06432	1.4
145.10104	17.2
147.08025	10.0
147.11626	7.5
149.09586	16.1
149.13248	1.5
151.11200	3.0
153.12726	3.0
155.08528	2.6
157.10132	4.9
159.08002	1.8
159.11639	6.0
161.09601	11.2
163.11150	17.9
165.09090	2.6
165.12701	3.4
169.10109	1.9
171.11713	4.7
173.09610	4.9
173.13242	3.2
175.11166	4.5
177.11211	3.5
177.12720	3.2
181.12167	3.2
187.11198	3.0
189.11232	7.1
191.10655	5.1
193.12248	2.0
205.12248	2.3
223.13266	16.7
227.12807	3.0
249.14877	2.2
255.17432	4.4
257.18945	4.8
273.18414	24.1
275.20004	30.4
275.22885	2.1
291.19504	75.2
293.21030	12.1
347.21985	10.1
349.23523	13.5
351.25159	1.6
365.23190	12.5
367.24567	9.5
367.90659	1.6
506.73828	1.4
639.42114	6.5
657.43945	11.8
675.39600	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01866	17.0
55.05504	53.9
57.03429	8.7
57.07074	1.1
59.04995	1.0
65.03931	3.6
66.69720	0.8
67.05498	53.4
69.03410	4.9
69.07057	25.2
69.56147	0.8
69.93761	0.8
71.04989	8.5
71.08646	0.8
79.05482	59.6
81.03411	12.7
81.07047	100.0
82.07403	1.1
83.04469	1.0
83.04972	25.3
83.08606	32.4
83.09086	1.9
85.02889	6.6
85.06530	4.4
91.05468	37.3
93.00185	0.8
93.06433	2.0
93.07034	51.6
95.04955	76.9
95.08588	30.5
95.09535	1.2
96.08908	0.9
97.06510	9.6
97.10156	23.8
98.22676	1.5
99.04446	11.1
99.08093	2.7
100.04834	1.1
101.09736	1.0
102.48815	0.8
103.05447	1.8
105.03393	1.0
105.04524	2.5
105.07014	37.9
107.04936	13.5
107.08580	42.4
109.06495	16.4
109.10143	16.6
110.47489	0.8
111.04433	29.3
111.08061	12.0
115.05462	2.5
117.07002	15.2
119.04938	1.6
119.08566	34.3
120.08875	0.9
121.06492	13.2
121.10125	26.5
121.10970	1.7
123.04386	1.0
123.08060	29.5
123.11680	3.4
125.05994	2.8
125.09610	27.5
125.10497	1.8
128.06221	1.9
129.05498	0.9
129.06984	8.3
130.07732	1.2
131.04895	1.2
131.08556	24.1
133.06506	2.8
133.10101	14.4
135.08035	10.9
135.11665	15.6
137.09605	9.6
139.07494	1.6
139.11169	3.3
141.07008	1.6
142.07724	1.0
143.08575	8.1
143.10635	1.4
145.06496	2.2
145.10109	27.8
146.10489	1.2
147.08022	11.3
147.11659	11.2
149.09598	24.7
149.13249	3.0
151.11246	1.7
153.09143	5.0
153.12756	8.0
155.08513	2.7
157.10104	6.1
159.08034	1.8
159.11665	11.3
161.09583	6.5
161.13200	4.1
163.11153	33.4
165.09090	5.0
165.12732	2.0
169.10088	3.2
171.10146	3.2
171.11711	3.4
173.09581	4.4
173.11830	1.9
173.13248	3.9
175.11201	4.1
177.12700	4.9
179.10608	1.6
181.09996	1.2
181.10474	1.1
181.12213	11.3
183.11661	2.2
183.89285	0.8
185.09596	1.0
185.13246	2.0
187.11133	4.2
187.14720	1.2
189.09460	1.4
189.11197	26.0
189.12668	1.8
191.10626	8.3
193.04898	1.0
193.12193	5.0
195.11618	1.9
197.13287	1.5
199.11188	2.4
199.14844	1.2
201.12675	1.4
205.12244	5.4
207.13838	1.4
209.11725	2.6
211.13190	1.3
213.16469	1.4
215.14435	1.1
219.13815	1.2
223.13249	59.2
224.13600	1.4
227.12729	15.2
227.17905	2.3
229.19492	3.0
231.13791	1.0
233.15439	0.9
239.17941	3.0
245.19055	2.4
247.20538	1.8
249.14897	2.3
255.17409	3.5
257.18958	7.3
265.14246	1.1
273.18466	32.8
275.20023	54.6
276.20294	1.4
283.15295	4.9
291.19495	71.2
292.19846	2.0
293.21060	34.0
294.21332	1.3
298.66678	0.9
309.20547	4.0
329.21082	1.1
347.22073	7.6
349.23639	9.2
365.23193	31.7
366.23285	1.5
367.24753	27.5
383.23575	1.1
407.24210	1.7
429.11819	1.5
430.11847	1.6
495.79587	1.0
513.31842	1.4
529.35638	1.2
531.33130	2.1
547.37451	1.3
593.36884	1.4
621.41284	1.3
639.42426	9.8
640.42377	1.2
657.32428	1.3
657.43549	23.3
658.43500	3.0
675.35449	1.4
675.44739	12.7
676.44983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.0
53.03941	4.3
53.52474	1.0
54.74152	0.8
55.01609	1.4
55.01857	15.0
55.05501	42.4
55.87961	0.9
57.03425	6.3
57.07056	1.7
57.43029	0.7
59.04979	1.4
65.03921	5.3
67.05491	52.1
69.03420	5.5
69.07054	23.2
69.61805	3.5
71.04987	5.7
71.08611	1.3
77.03924	1.2
79.05476	58.5
80.05766	1.1
81.03397	11.0
81.07040	100.0
82.07379	1.8
83.04965	21.2
83.08602	29.2
85.02885	7.9
85.06531	2.9
91.05463	36.0
93.03363	1.1
93.07024	42.3
94.07347	0.9
95.04951	59.1
95.08588	27.5
97.02870	1.5
97.06514	8.8
97.10150	20.5
98.22678	0.8
99.04440	7.7
99.08079	2.7
101.05965	1.0
103.05417	1.2
105.04502	3.7
105.07011	32.4
107.04938	14.7
107.08578	33.3
109.06498	29.9
109.10123	16.0
111.04420	23.7
111.08064	9.9
113.05994	2.3
115.05427	2.7
116.06223	1.2
117.07004	15.6
119.04894	1.6
119.07730	1.7
119.08559	30.3
120.08926	1.0
121.06487	10.4
121.10114	20.7
123.04425	1.2
123.08054	20.1
123.11676	3.6
123.52256	0.9
125.05968	1.7
125.09608	19.1
125.13182	1.0
128.06129	2.1
129.06982	7.4
130.07771	1.5
131.08545	21.8
133.06450	3.0
133.10103	16.2
133.11096	0.5
135.08040	8.6
135.11659	12.8
137.05942	0.8
137.09595	5.2
139.11162	2.4
141.06949	1.5
142.07716	2.6
143.08540	7.0
143.10654	0.9
145.06477	1.4
145.10097	23.0
147.08018	11.4
147.11649	9.1
149.09573	22.4
149.13249	2.8
150.09892	0.9
151.07506	0.8
151.11125	2.9
153.09062	4.0
153.12718	6.8
155.08533	3.9
156.09274	1.1
157.10104	5.1
159.08038	1.8
159.11659	9.9
161.09595	6.8
161.13242	3.1
163.11157	26.4
165.09111	4.1
165.12724	3.0
169.10098	3.5
171.10228	1.5
171.11638	3.5
173.09512	4.6
173.11847	1.4
173.13249	3.7
175.11160	3.3
175.14806	1.5
177.12683	3.9
179.10608	1.2
181.10004	1.1
181.10709	0.8
181.12195	7.4
183.10146	1.4
183.11655	2.7
185.09583	1.6
185.13210	2.4
187.11154	3.4
187.14734	1.2
189.11183	17.0
189.12671	1.4
191.10660	6.8
191.14252	1.1
193.12251	3.3
195.11617	1.6
197.13205	1.4
201.12799	2.2
201.16356	1.0
203.17914	0.9
205.12172	4.2
207.13692	0.9
209.11693	2.4
211.13235	1.5
213.12695	1.3
223.13231	37.5
224.13528	1.0
227.12697	12.3
227.17911	2.0
228.13055	0.9
229.19435	1.8
239.17950	1.9
245.18967	2.4
247.20554	1.9
249.14813	1.9
255.17398	3.9
257.18900	6.4
263.20001	1.2
273.18439	24.3
275.20007	41.6
276.20392	2.5
279.16000	1.2
283.15305	3.6
291.19489	63.0
292.19617	2.0
293.21069	21.6
294.21436	1.9
309.20346	4.2
329.20874	1.1
347.22192	8.4
349.23749	11.7
350.23892	1.4
365.23190	24.1
366.23550	1.4
367.24716	17.7
383.24185	1.3
407.24280	2.2
524.93854	1.0
529.35455	1.3
621.41010	1.7
639.42035	9.3
657.43518	23.0
658.43933	1.9
675.44824	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	676.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.8
51.02363	1.1
53.03938	1.6
55.01870	0.4
56.05015	1.2
57.38211	0.3
58.06593	8.5
58.31617	0.3
61.02911	0.5
62.12683	0.3
74.34786	0.3
75.04459	0.6
77.03912	2.7
79.05476	1.0
80.05014	0.4
81.03401	0.5
84.08110	0.6
85.02899	0.5
88.07593	0.5
91.05455	1.5
95.04959	10.0
105.03381	64.4
105.04392	3.8
105.07016	0.9
106.03716	1.2
107.04932	0.5
108.08110	2.2
109.06551	0.3
110.06036	0.4
110.09640	0.8
112.07579	0.7
115.05443	0.9
117.07040	0.6
119.04948	0.9
121.06499	0.5
121.08833	0.6
122.08887	0.3
122.09666	1.5
123.04404	0.4
124.07573	0.5
128.06146	0.5
129.07013	2.0
130.06493	0.5
131.04970	0.4
131.07440	0.3
131.08490	0.5
132.08041	0.5
133.02832	0.6
133.06500	0.4
134.09666	0.9
135.04312	0.5
135.08098	0.4
137.05989	0.3
138.09138	1.5
140.10680	1.0
141.07013	0.6
143.08627	0.4
144.60101	0.5
145.06450	0.6
146.09645	0.5
147.04408	0.9
153.06999	0.6
155.08569	0.8
156.08147	0.4
157.06450	0.6
158.09631	0.9
159.08066	0.5
159.10474	0.6
160.11232	1.4
162.09143	0.8
164.10699	0.4
165.07025	1.3
166.07791	0.4
167.08563	0.8
171.08057	0.6
172.11176	0.6
174.09204	1.3
175.07542	0.5
176.10698	0.6
177.05409	0.6
177.06940	0.6
178.07735	1.5
179.08543	1.6
180.10193	1.8
181.06462	0.5
181.10104	0.6
183.08060	0.5
184.11249	0.7
185.05884	0.6
187.07542	0.4
188.10651	0.4
190.07835	1.0
191.08542	1.2
192.09229	0.5
193.10165	1.5
195.08096	0.9
197.06062	0.4
197.09631	0.8
199.07668	0.6
200.10706	0.5
202.07738	0.5
202.12302	0.5
203.08571	0.8
205.10062	1.5
206.07368	0.5
207.08052	1.7
209.09653	0.9
211.07526	0.9
215.08920	0.5
218.07295	0.8
218.11810	0.6
219.08092	0.9
220.08875	0.5
221.09628	1.8
223.07532	0.7
223.11212	0.5
225.09048	0.4
226.12242	0.3
231.08015	0.3
233.09625	1.0
235.07584	1.4
235.11180	0.6
237.09122	1.0
238.10127	0.4
238.12364	0.5
239.10652	0.9
243.10268	0.3
247.07585	0.5
249.09093	1.4
251.10698	0.6
253.08569	0.8
256.13324	0.4
261.09097	0.6
263.10690	0.9
265.12509	0.4
267.10223	0.7
270.14868	0.4
277.08618	0.8
279.10156	0.6
284.16241	0.3
292.13370	0.7
294.14886	0.4
310.14404	0.5
312.15854	0.4
324.16092	0.7
342.17184	0.3
352.15286	0.5
356.18497	0.4
384.18137	1.4
394.16077	0.4
398.19702	1.0
402.18185	0.4
412.17599	2.5
416.20755	1.1
434.21506	1.1
444.20230	0.4
478.22412	0.4
488.21082	0.4
494.21811	0.6
496.23267	0.6
506.22018	0.8
520.23260	1.1
538.24347	1.6
554.23669	0.4
556.25391	3.1
566.23914	0.6
580.25574	1.2
584.25238	0.6
598.26190	3.2
616.27484	10.4
617.27759	0.6
640.27515	0.8
676.29535	100.0
677.29865	8.5
677.39240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.5
51.02371	1.0
52.73954	0.3
53.03951	2.0
56.05016	0.4
58.06593	0.4
67.05492	0.5
68.05006	0.3
69.15048	2.1
70.06580	0.4
74.06057	0.7
75.04460	1.8
77.03912	2.7
79.05495	0.8
80.39486	0.3
81.05721	0.4
82.06580	0.7
85.02913	0.7
91.05463	1.6
94.06567	2.4
95.04958	9.7
96.08101	0.9
97.06506	0.6
103.05457	0.4
105.03381	67.7
105.04393	4.2
105.07020	1.3
106.03684	0.6
107.04969	0.3
108.04526	0.3
108.08118	2.8
110.05961	0.3
111.04465	0.3
114.55257	0.3
115.05467	0.6
117.07010	1.0
118.06496	0.4
119.04964	0.4
120.08114	0.7
121.06483	0.5
124.07593	0.9
126.09170	0.5
128.06194	0.6
129.06984	1.6
131.04941	0.5
131.08524	0.4
132.08070	1.0
133.02872	0.8
133.06503	0.8
134.09631	0.8
136.07602	0.6
137.05940	0.6
138.09113	1.6
141.06932	0.7
143.08543	0.4
144.08061	1.7
145.06480	1.3
145.08879	0.6
146.09650	1.9
147.04401	0.4
148.07556	0.4
149.05965	0.6
150.09114	0.4
153.05486	0.6
153.06966	0.7
155.08530	0.5
156.08141	0.4
157.06479	0.8
157.08827	0.4
158.09679	0.6
159.08038	0.7
160.07547	2.4
161.06064	0.4
161.09656	0.4
163.07516	0.5
164.10788	0.6
165.07011	1.0
166.07819	0.5
167.08588	0.8
170.09647	1.5
171.08052	0.8
174.05472	0.4
174.09097	0.4
176.10701	0.7
177.05501	0.5
178.07794	1.4
179.08499	1.7
181.06442	0.7
181.10149	0.6
182.09573	0.6
183.08133	0.6
186.09023	0.8
188.07127	0.5
188.10736	0.6
191.08574	1.2
192.09250	0.4
193.10118	1.8
194.07220	0.5
194.09813	0.6
195.08069	1.2
197.09621	0.5
198.09012	0.4
202.07814	0.9
203.08582	2.1
205.10161	1.5
206.07222	0.6
207.08076	2.4
208.08907	0.4
208.11310	0.5
209.09560	1.3
209.11525	0.3
210.09142	0.4
211.07651	0.5
218.07350	0.5
219.08035	1.2
221.09601	2.3
222.11270	1.5
223.07571	0.5
223.11295	0.7
224.08475	0.4
224.10692	0.5
225.09155	1.3
231.08037	0.9
232.11203	0.5
233.09631	1.3
235.07600	1.3
235.11337	0.7
236.10710	0.9
237.09071	1.4
238.09756	0.5
239.10635	0.8
247.07616	0.4
248.10771	0.7
249.09085	2.4
249.11395	0.5
250.12308	1.2
251.10716	1.0
252.07722	0.4
253.08653	0.8
253.12325	0.4
254.11821	0.6
261.09122	1.1
262.12323	0.4
263.10678	1.1
264.10287	0.6
264.13754	0.5
265.08533	0.4
265.12534	0.4
266.11813	0.8
267.10159	1.0
268.13400	0.4
274.12283	0.5
277.08578	0.9
278.11829	1.0
279.09995	0.5
281.11646	1.1
290.11649	0.5
292.13275	0.9
296.12875	0.3
296.16272	0.4
298.14288	0.4
299.12762	0.4
310.14355	0.5
320.12833	0.4
324.15845	0.8
334.14334	0.6
342.16904	0.8
352.15524	0.8
355.05008	0.4
356.18549	1.1
370.16614	0.5
374.19745	1.2
384.18167	0.9
402.18781	0.5
412.17758	0.8
416.20871	0.5
432.18088	0.4
434.21603	0.4
474.19135	0.9
478.22382	1.1
488.20261	0.5
496.23315	1.8
506.21591	2.9
507.21625	0.4
524.23053	0.7
538.24274	4.2
539.24457	0.4
556.25397	3.7
557.25891	0.5
566.23694	0.8
598.26349	5.1
599.26965	0.5
616.27441	11.7
617.27820	1.0
676.29529	100.0
677.29810	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	676.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.7
51.02382	1.7
53.03933	2.1
56.05037	1.1
58.06590	11.9
61.89130	0.6
69.19606	4.0
69.99883	0.5
72.59640	0.6
77.03925	2.3
77.28623	0.6
79.05468	0.8
82.06579	0.6
85.02894	0.7
86.57426	0.7
88.07624	0.8
91.05489	1.7
93.07090	0.7
95.04957	9.3
96.08088	1.0
96.46910	0.5
99.74897	0.6
100.16681	0.6
105.03379	58.3
105.04517	3.5
105.07004	1.3
106.03711	0.9
108.08131	1.7
115.05457	1.3
117.31904	0.6
119.04980	0.7
121.06492	0.7
122.09676	1.8
125.06026	0.6
129.07004	2.0
134.09622	0.6
138.09105	1.7
141.07013	0.8
145.06493	1.0
146.09618	0.9
147.04422	0.8
148.11241	0.7
153.06984	0.8
155.08566	1.1
157.06415	0.8
158.09552	1.1
160.11197	1.4
161.06033	0.7
165.07027	2.1
167.08528	0.6
174.09149	2.0
177.05547	1.2
178.07800	0.9
179.08536	1.0
181.06540	1.0
181.10081	1.0
188.10760	0.9
190.07678	0.9
191.08490	0.6
193.10120	1.7
195.08031	1.6
197.09599	0.7
203.08521	0.9
205.10262	1.0
207.08089	2.0
209.09718	0.7
219.08040	1.4
220.13417	0.7
221.09709	1.2
235.07515	0.7
237.09166	0.9
249.09065	1.3
261.09119	0.7
267.10202	1.6
269.13766	0.6
292.13339	0.7
292.49371	0.6
295.09586	0.6
306.15070	0.9
342.16653	0.7
356.18539	1.5
374.19540	0.8
384.17932	0.9
399.69788	0.7
412.17026	0.8
416.20502	0.7
478.22061	1.6
496.23291	1.0
506.21713	1.4
538.24445	4.0
556.25385	2.9
598.26013	3.2
603.72504	0.7
616.27490	9.0
676.29523	100.0
677.29517	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	676.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.00296	1.1
55.05507	2.2
56.05030	2.4
58.06585	5.2
61.02919	1.9
67.05491	4.7
69.07050	2.8
71.04988	2.2
72.08136	4.9
73.80973	1.1
75.04475	2.9
77.03904	1.6
79.05478	6.6
81.03413	5.2
81.07057	7.9
83.04955	1.9
83.08620	3.2
85.02905	3.1
91.05475	8.0
93.07039	6.4
95.04951	15.2
95.08596	2.8
97.06534	1.8
98.23524	2.7
102.09167	4.8
105.03379	64.4
105.04512	3.7
105.07011	4.0
106.03621	1.4
107.04937	2.3
107.08569	4.0
108.08115	5.3
109.06483	1.4
111.08054	1.3
117.07026	2.9
119.04977	1.7
119.08547	1.5
121.07941	1.4
121.10161	2.2
122.09669	2.1
123.08060	1.8
128.06207	2.0
129.06993	2.5
131.08563	4.0
133.10098	3.1
135.08081	1.9
141.72491	1.3
146.09711	1.6
147.11679	2.0
148.11098	2.1
149.05902	1.8
149.13306	1.5
155.08546	2.6
157.06528	1.6
157.10138	1.6
167.08542	1.9
174.09142	2.8
178.12276	2.7
179.08470	3.1
191.08612	1.6
193.10287	2.1
193.12268	3.9
198.09175	1.6
203.08513	2.0
204.09317	2.2
205.10098	2.2
211.13307	3.7
215.08624	1.5
219.11639	2.1
247.11046	2.0
267.15988	1.4
269.17398	4.3
277.53799	1.2
285.16898	3.6
368.22235	2.5
395.59836	1.6
458.23074	2.5
461.28690	2.6
462.22653	1.4
470.15140	3.4
479.30127	12.4
482.14963	2.0
483.16095	4.2
484.16815	1.9
490.25803	14.9
494.25244	7.6
496.16278	2.1
497.18268	3.0
498.18509	14.3
499.18497	1.4
511.18936	2.0
522.28485	37.1
523.28796	3.9
554.30994	36.4
555.30597	2.7
556.18555	2.5
558.20782	1.7
644.23193	2.8
645.24628	2.7
658.25897	2.2
676.26135	30.7
676.34454	100.0
677.25769	5.4
677.34418	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	677.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56910	0.2
55.01866	1.5
57.03411	0.6
59.04985	0.2
63.97641	0.3
68.99784	0.6
69.03420	19.9
69.11925	1.6
69.12316	0.3
73.02906	0.9
73.92222	0.2
85.02885	2.5
91.05441	0.5
93.03346	0.3
95.04932	1.3
97.02879	44.0
98.03244	0.3
105.03381	7.3
105.04505	0.6
106.03725	1.1
108.08091	0.4
111.00792	0.7
111.04466	0.3
115.03915	16.5
121.02841	2.4
126.92693	0.2
127.03889	0.6
129.07047	0.3
131.27600	0.2
133.02815	0.6
137.02341	0.6
138.09111	0.3
139.03877	9.4
144.08084	0.3
145.06418	0.4
145.80482	0.2
147.04370	0.3
153.01807	3.2
157.04945	11.0
157.06314	0.6
165.01845	1.5
165.57225	0.3
175.06032	1.2
179.08472	0.4
183.02887	0.6
185.05968	0.5
199.06029	0.8
213.05441	1.3
217.07021	6.1
221.09567	0.4
230.11537	0.3
231.06439	0.7
241.04955	0.6
252.31693	0.3
258.05237	1.1
259.05963	0.6
269.04459	0.3
287.05453	100.0
288.05795	3.0
299.05551	0.4
383.07498	0.3
400.88513	0.3
461.10242	0.4
498.91000	0.3
503.11884	1.3
530.84100	0.3
598.26019	0.3
616.27258	0.7
617.27686	0.8
676.29443	3.7
677.29828	8.9
678.29767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43377	0.2
52.28681	0.3
58.74597	0.2
62.67716	0.2
68.19294	0.2
69.03421	15.0
69.09912	1.6
73.02937	0.2
75.04518	0.2
85.02917	0.3
91.05477	0.3
94.06532	0.3
95.04952	0.9
95.44162	0.2
97.02881	100.0
98.03221	0.9
99.34434	0.2
105.03378	4.3
105.04500	0.3
105.06965	0.3
106.03711	0.8
113.87345	0.2
115.03963	0.4
121.02843	0.4
139.03883	29.5
157.04950	12.2
199.05974	3.6
199.07625	0.3
259.08014	0.5
287.05481	2.3
299.05322	0.4
337.07034	0.3
365.06610	0.9
383.07251	0.4
545.13013	0.4
598.26477	0.3
616.27185	0.6
617.27771	0.8
676.29651	3.0
677.29810	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.29916	0.3
57.03415	0.5
58.09077	0.3
63.56800	0.3
65.03918	0.3
69.03418	19.3
70.95717	0.4
73.02914	0.6
75.51218	0.3
77.03884	0.3
77.82770	0.3
85.02893	1.9
91.05409	0.3
94.50133	0.3
95.04972	1.8
97.02876	43.4
98.03202	0.6
101.73856	0.3
105.03371	7.8
105.04463	0.4
106.03725	1.0
111.00813	0.4
115.03910	17.8
121.02829	1.7
133.02794	0.4
135.04347	0.3
137.02324	0.7
139.03871	8.3
146.09622	0.4
147.04387	0.7
153.01811	2.6
157.04948	10.5
165.01796	1.6
175.05997	1.0
185.05885	0.3
199.05954	0.8
213.05461	1.4
217.07030	6.4
231.06459	0.5
241.05052	0.8
258.05249	1.1
259.05948	0.4
260.15286	0.3
287.05444	100.0
288.05750	3.0
299.05154	0.5
348.31018	0.3
461.09958	0.4
503.11673	1.7
599.26892	0.8
616.27191	0.8
617.27728	1.0
633.11420	0.3
676.29559	5.7
677.29797	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	677.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01858	0.7
55.05503	1.8
55.57434	0.3
57.07063	0.4
58.06589	0.6
58.20187	0.4
65.98789	0.3
66.84733	0.3
67.05492	2.6
69.07060	1.1
69.82234	1.0
71.04961	0.4
76.92619	0.3
79.05480	2.2
80.05801	0.3
81.03416	0.9
81.07045	4.0
83.04975	0.5
83.08610	1.2
85.06536	0.3
88.07639	0.6
91.05463	2.5
92.05822	0.4
93.07043	2.8
95.04961	2.3
95.08598	1.9
97.10156	0.7
102.09165	0.6
105.07006	2.2
107.04918	0.6
107.08575	2.0
107.47178	0.3
109.06501	1.2
109.10162	0.9
111.04440	0.5
111.08055	0.4
117.07024	1.0
119.07835	0.3
119.08546	1.7
121.06470	0.4
121.10139	1.2
123.08046	0.3
125.09615	0.5
129.07001	0.5
131.08551	1.2
133.10110	0.9
135.08073	0.5
135.11691	0.5
137.09641	0.3
143.08575	0.5
145.10132	1.3
147.08072	0.5
147.11690	0.7
149.02336	0.6
149.09625	1.1
151.11174	0.4
159.11649	0.7
163.11163	0.8
165.12726	0.5
171.11618	0.3
175.14827	0.3
183.11737	0.4
185.04190	0.6
190.15656	0.3
193.05020	1.1
193.12187	0.3
223.13313	1.0
227.12703	0.5
256.26331	1.8
259.07941	0.7
265.79327	0.3
275.20056	2.4
277.21497	0.5
291.19617	0.8
293.21097	1.1
333.24734	0.5
347.09528	1.0
349.23633	0.7
367.24799	0.8
515.31824	21.1
516.32202	0.8
641.43597	0.4
659.45056	0.3
677.37036	100.0
678.37378	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	677.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
53.18451	0.9
55.01865	3.5
55.05503	17.6
57.03436	8.5
57.07063	4.9
59.29887	0.9
61.02625	1.8
61.02917	22.3
65.03936	3.1
67.05497	91.3
68.05831	1.2
69.03425	3.7
69.07059	15.2
71.04988	2.3
71.08623	2.2
73.02905	8.5
75.04482	1.4
77.03936	1.9
79.05482	56.6
81.03418	3.0
81.07046	100.0
82.07387	1.6
82.44077	1.1
83.04974	3.4
83.08614	11.5
85.02896	20.1
85.06528	3.4
87.04453	1.4
91.03944	21.0
91.05465	28.4
93.07032	63.9
94.07344	1.8
95.04971	9.5
95.08595	79.3
96.08952	1.0
97.02876	10.9
97.06514	4.1
97.10145	4.8
97.97985	0.9
99.04462	1.5
99.08070	3.6
103.03905	1.1
105.04495	1.7
105.07014	20.2
105.41121	0.9
107.04959	0.9
107.08577	41.3
109.02878	1.8
109.06509	3.2
109.10142	39.2
109.10882	2.2
111.08073	2.7
113.09636	1.4
115.03938	1.9
117.07002	11.4
119.08559	20.8
121.06490	1.3
121.09247	2.0
121.10129	38.2
123.08086	2.9
123.11690	20.8
125.09596	2.8
127.03858	5.8
129.07004	1.6
131.08553	21.3
133.10114	15.3
135.08080	1.7
135.11676	32.7
137.09592	2.8
137.13223	8.7
139.11179	2.6
143.08530	1.3
145.04924	9.8
145.10114	20.0
145.11214	1.5
147.11688	12.8
149.09590	1.9
149.13234	25.7
151.11189	2.1
151.14789	2.9
153.12697	2.1
159.11664	15.3
160.12044	1.1
161.13243	13.7
163.06006	10.2
163.11174	2.0
163.14803	16.4
165.12721	3.3
173.13225	19.0
173.62462	0.9
175.14737	5.1
177.12720	1.9
177.16324	6.9
179.14284	2.3
181.12178	1.1
187.14792	10.7
191.14323	1.8
201.16388	3.4
205.15807	1.7
215.17934	1.4
231.94559	0.9
233.22644	4.1
243.21039	33.2
243.23460	1.9
252.32420	1.0
261.22101	98.1
262.22488	3.2
279.23221	4.7
290.15955	1.0
300.87048	1.0
317.24670	1.3
335.25742	36.5
336.26056	1.7
353.26822	28.0
354.27353	1.3
479.30420	1.2
497.30707	6.2
498.57407	1.1
548.44922	1.1
677.33478	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	678.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52202	0.4
62.19322	0.4
65.03926	4.7
69.35001	1.8
70.06571	1.9
70.61248	0.5
71.32635	0.5
71.58120	0.4
79.05462	0.6
81.03409	0.6
82.06564	0.5
85.02896	1.0
86.06049	0.7
87.04439	0.9
91.05469	2.1
93.03394	0.6
93.07078	0.5
94.06543	1.8
95.04993	1.1
98.23514	0.9
102.64460	0.5
105.06989	0.7
107.04916	0.5
108.08091	1.9
111.04439	3.4
112.07613	0.9
113.13441	0.5
115.05440	1.4
117.03371	0.5
117.05672	0.5
117.07019	0.9
119.04890	0.8
120.08067	0.6
121.02853	100.0
121.03896	4.5
122.03196	1.6
124.07580	2.1
126.09114	0.9
128.06154	0.7
129.06995	2.5
132.08078	1.6
133.06471	0.7
134.09627	1.1
135.04472	0.6
136.07544	0.9
137.05992	1.2
141.07025	0.8
144.08092	1.2
145.02847	1.1
145.06471	1.0
145.08929	0.5
146.09610	1.1
147.04393	1.6
149.06006	0.8
155.08554	0.8
157.06458	0.7
158.09709	0.7
160.07593	1.6
162.05495	0.8
162.09177	0.6
165.07001	1.0
167.08589	0.8
174.09084	0.8
177.05463	2.2
178.05045	0.9
178.07777	0.9
179.08540	1.8
181.10147	0.6
182.09642	0.6
185.09521	0.6
191.06952	0.5
191.08556	0.9
193.10202	1.4
195.08023	0.9
197.05984	0.5
197.09732	1.0
202.07674	0.7
203.08577	1.2
205.10208	1.0
206.04539	0.9
207.06485	1.3
207.08148	1.1
208.09691	1.1
209.09668	1.5
211.07574	0.5
220.08910	0.8
221.09644	2.0
223.07594	0.9
225.09030	0.7
231.10220	0.8
233.09550	0.7
235.07628	0.7
236.10791	0.5
237.08987	0.7
248.10822	0.8
249.09065	1.6
250.12477	0.8
251.10667	1.1
253.08664	1.1
254.11678	0.5
255.10226	0.6
267.10181	1.0
277.08517	0.8
281.11658	0.8
282.14636	0.5
284.41586	0.5
292.13147	0.7
308.12708	0.6
310.14575	0.7
324.15964	0.6
328.15546	1.1
338.13644	0.8
342.16852	1.1
369.65198	0.5
370.16452	1.4
388.17462	1.4
398.15997	0.6
402.19025	1.5
420.20352	1.2
438.89609	0.5
480.20520	1.9
508.19461	1.0
540.22382	4.0
558.23352	3.2
600.24384	3.1
618.25415	8.3
619.25781	1.0
678.27417	98.9
679.27704	7.7
705.21930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31077	0.3
53.03918	0.3
55.01871	0.8
58.06588	0.6
65.03931	5.0
67.03799	0.3
69.55199	0.6
69.55551	1.2
69.67957	0.3
70.06577	3.3
75.04459	0.4
79.05490	0.4
91.05447	0.7
93.07042	0.6
94.06547	1.8
95.04957	0.8
96.08092	0.5
98.06052	0.5
105.06983	1.1
105.12923	0.4
107.04910	0.6
107.07278	0.4
108.08116	1.2
109.02874	0.4
111.04430	4.0
112.07590	2.9
115.05443	0.5
117.07005	0.5
119.04931	1.0
120.08097	0.8
121.02850	100.0
121.03899	4.5
122.03162	1.9
123.04372	0.3
124.07581	1.2
126.09129	0.5
127.03951	0.6
128.06218	0.9
129.06993	1.4
132.08083	0.8
133.06493	0.8
134.09587	0.4
135.04422	0.5
137.05945	0.8
138.09203	0.4
140.07059	1.3
141.06964	0.9
144.08067	0.9
145.06474	0.8
145.08873	0.6
146.09659	1.9
147.04373	1.0
148.07539	0.6
150.09007	0.5
153.06964	0.4
155.08569	0.5
157.06453	0.7
158.09708	0.4
159.08026	0.5
160.07535	2.2
161.05946	0.6
162.09142	0.6
165.06964	0.8
166.08766	0.6
167.08595	1.0
170.09669	0.7
171.08041	0.8
174.09209	0.5
177.05478	1.1
178.07782	1.1
179.08548	1.4
183.07991	0.4
186.09114	0.7
187.07547	0.5
188.07109	0.5
188.10652	0.6
190.07767	0.6
191.08562	0.8
193.10068	0.7
195.08022	0.9
195.11740	0.5
197.09644	0.8
202.07713	0.4
203.08629	0.9
205.10147	1.1
207.08118	1.6
207.09973	0.4
208.08977	0.5
209.09579	0.7
213.09105	0.6
215.08598	0.4
219.08128	0.5
221.09552	1.6
223.07579	0.5
223.11298	0.5
225.09099	1.0
231.08101	0.9
233.09615	1.0
234.12726	0.5
235.07596	0.9
236.10551	0.5
237.09123	0.8
239.10782	0.4
248.10738	0.5
249.09131	1.6
251.10677	0.6
253.08607	1.1
263.10547	0.4
265.08676	0.5
266.11652	0.5
267.10129	0.8
277.08426	0.5
278.11734	0.6
279.10168	0.4
291.09943	0.4
292.13147	0.6
296.12848	0.5
298.14233	0.6
310.14447	0.6
331.21243	0.4
338.13791	0.7
342.16895	0.6
352.15292	0.4
370.12509	0.3
370.16379	1.8
375.32935	0.3
380.14706	0.5
384.17603	0.4
388.17480	1.0
392.73700	0.3
398.16019	3.2
402.19095	1.2
412.17529	0.4
420.19946	0.8
430.18527	0.6
436.17563	0.5
444.20184	0.4
453.75140	0.4
462.21002	0.5
480.21896	0.9
481.11719	0.4
508.19443	0.6
522.21173	0.9
540.22003	0.6
558.22900	1.7
568.21753	0.6
582.23340	0.9
600.24048	1.7
618.25305	6.9
642.25287	1.0
660.26135	0.8
678.27429	92.3
679.27814	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	678.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
53.03940	2.7
55.01872	1.3
55.05494	2.2
57.03429	1.5
58.06582	1.7
67.05495	3.7
69.03410	0.9
69.07053	1.9
71.04972	1.1
74.06068	0.9
77.03933	1.1
79.05485	4.0
81.03408	3.4
81.07037	5.7
83.04979	1.6
83.08611	1.4
85.02895	1.8
91.05465	7.6
93.07037	3.1
95.04963	11.6
95.08592	1.9
97.02878	1.3
97.06528	1.0
105.03381	54.7
105.04520	2.6
105.07017	5.5
106.03719	1.0
107.04935	1.4
107.08592	2.2
108.08112	1.3
109.06506	1.3
109.09435	0.8
109.10135	4.7
110.06013	1.6
111.08029	1.1
117.07021	1.3
119.04923	0.8
119.08556	1.9
121.06500	1.8
123.00734	0.7
124.07576	0.9
127.03860	0.9
129.06995	2.4
131.08549	2.8
132.08063	0.9
133.06461	1.0
133.10138	4.4
135.04349	0.7
135.11743	0.7
143.08568	1.5
144.08018	0.8
145.06494	1.1
147.08017	1.4
149.09625	0.9
151.11151	1.6
155.08554	2.1
157.08868	1.6
157.10062	1.0
158.09631	6.2
159.08052	0.9
162.09210	0.7
165.07089	0.9
167.08583	1.5
171.08064	1.4
172.11330	0.8
174.09135	2.1
178.07707	1.1
179.08575	1.6
181.10146	1.6
192.09389	2.9
193.10144	3.4
193.12245	2.4
195.08138	0.7
203.08633	1.5
204.09225	1.0
205.09833	0.8
207.11746	2.8
209.09627	0.9
209.13310	0.9
211.13264	3.2
216.09421	0.9
217.10237	1.3
218.11006	2.6
219.11711	2.3
221.13304	1.4
227.51761	0.9
229.29648	0.8
231.11803	1.7
233.13257	3.1
243.11751	1.1
246.10365	1.0
249.12784	1.3
251.14398	1.3
253.14270	10.0
261.12738	1.2
264.17538	1.5
266.15381	0.9
267.16003	1.1
271.15457	2.6
274.15884	4.9
276.13828	0.9
285.17017	2.0
290.15497	1.3
292.16949	5.3
310.17960	1.6
320.16507	3.1
334.18283	1.0
338.17480	3.0
352.19116	0.9
380.18637	2.1
380.55139	0.9
384.87491	0.8
398.19528	2.6
440.20642	2.7
456.21658	1.0
463.26459	1.7
481.28110	5.9
500.22391	1.0
502.22137	1.1
556.25519	1.3
562.24011	1.1
604.25220	1.2
609.26581	0.9
618.26819	1.5
622.26202	3.3
678.28937	100.0
679.29456	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	678.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93445	2.5
53.03933	4.1
54.30526	2.7
55.01863	16.9
55.05495	19.7
55.05949	2.3
57.03431	23.2
58.06588	8.2
58.23469	2.8
59.29227	2.4
61.02914	9.3
63.62813	2.4
67.05495	27.2
69.03413	8.3
69.07061	27.6
70.47450	2.7
71.04985	3.6
71.20425	2.7
73.02895	6.7
79.05479	46.5
81.03398	33.8
81.07050	29.6
83.01341	9.1
83.04964	14.4
83.08598	11.5
85.02893	13.8
91.05467	58.7
93.07022	41.9
95.04949	24.0
95.08580	12.9
97.02882	11.3
97.06513	15.0
99.08080	6.7
105.03358	25.4
105.07003	15.8
107.04930	17.7
107.08572	20.9
108.08224	2.6
109.06506	9.2
109.10131	8.1
111.04465	5.0
111.08063	3.9
115.07568	3.5
116.04720	4.1
117.06979	20.4
119.08558	27.2
121.06502	9.5
121.10152	10.0
123.08035	12.4
125.05961	8.0
125.09618	5.7
127.03884	3.1
129.05458	36.4
129.06987	7.0
131.08604	5.8
133.10120	9.5
135.08037	30.8
135.11624	13.5
136.08778	4.7
137.05965	3.7
137.09625	8.6
143.07036	29.2
145.06456	2.6
145.10092	19.2
146.20287	2.5
147.08041	10.0
153.09164	3.2
153.12718	4.1
161.08144	2.6
161.09569	4.0
163.07504	7.6
163.11159	22.6
165.09088	11.1
171.10146	6.4
172.10962	2.8
177.05396	3.6
181.08521	5.7
181.12173	4.7
191.10704	6.0
199.09650	8.8
209.11754	10.3
211.13397	3.0
227.12779	10.3
229.14415	3.0
239.12733	11.7
254.78989	2.4
255.12149	23.7
255.15985	5.9
265.14389	3.6
267.15680	7.5
271.15442	4.1
273.13266	79.5
274.13654	2.9
283.15338	100.0
284.15463	3.1
287.05493	3.0
291.74481	2.7
292.09705	4.2
301.16391	8.4
314.40683	2.5
322.10684	4.8
338.13803	4.9
379.63391	2.9
429.22372	2.9
447.23624	10.0
463.26746	9.7
464.24136	4.8
481.23978	69.7
482.24429	3.5
634.24426	2.9
678.32324	47.7
679.30280	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	678.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91354	1.1
53.03934	3.8
55.01863	2.4
55.05503	2.9
57.03424	6.4
58.06590	1.9
61.02921	8.8
63.18622	1.2
67.05491	4.5
69.03419	18.7
69.07067	2.3
71.04965	3.0
71.47574	1.3
73.02905	3.1
73.05906	1.2
79.05494	3.8
81.03406	11.2
81.07029	6.1
81.21819	1.3
83.08604	1.3
85.02894	100.0
87.04467	1.8
90.01158	1.2
91.03939	2.4
91.05481	4.7
93.07027	8.0
93.88979	1.2
95.04961	2.4
95.08570	8.3
97.02878	42.7
97.10151	2.2
99.04443	6.7
101.66950	1.2
105.03381	4.9
105.06990	6.3
107.08573	5.3
109.02859	20.8
109.09495	1.2
109.10152	5.2
115.03954	1.4
117.06993	3.7
119.08554	4.7
121.02856	7.1
121.06482	4.7
121.10126	5.7
123.11718	2.5
127.03901	33.9
129.07016	1.5
131.08562	7.5
133.10149	3.6
135.11673	3.7
137.02492	1.2
137.06021	1.9
139.03934	1.5
143.08496	2.0
145.04936	38.8
145.10101	5.3
147.11658	6.7
149.03326	1.3
149.13246	2.3
153.01836	2.7
154.72318	1.2
157.10063	1.5
159.11659	5.9
161.13220	3.2
163.05998	17.5
166.12251	2.1
171.11798	1.3
173.13246	7.6
175.14828	1.8
177.05486	1.9
185.13274	6.6
187.05971	6.8
199.14803	3.8
205.07033	5.7
213.16348	2.0
229.07004	2.3
239.17912	2.3
241.19604	2.1
245.22504	1.8
255.21028	56.0
256.21378	2.8
257.19006	1.8
273.22092	43.8
283.20508	5.1
283.70724	1.3
287.05450	67.2
299.20175	1.6
301.21579	9.4
319.22641	49.7
320.22855	2.0
325.11246	3.9
337.23581	2.3
391.94907	1.2
463.26828	4.5
660.32446	1.7
678.32202	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	678.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01199	6.6
52.23257	6.5
55.01875	10.5
55.05497	27.5
57.03436	6.9
63.79364	7.1
67.05499	81.7
69.03415	8.7
69.07053	46.3
69.07710	34.1
71.08614	6.8
79.05500	61.1
81.03428	7.9
81.07053	90.6
83.04964	16.9
83.08601	20.5
89.06013	19.8
91.05434	45.0
93.07024	60.1
95.04962	22.3
95.08598	45.5
97.06506	11.2
97.10159	18.4
105.07047	33.5
107.04964	17.2
107.08577	49.5
109.06506	15.6
109.10139	27.4
111.04420	15.4
117.07014	11.1
119.08575	23.5
121.06510	11.3
121.10138	28.8
123.08049	21.8
125.09632	10.0
128.06189	6.6
131.08568	27.1
133.08572	16.0
133.10124	24.1
135.08112	8.8
135.11665	20.1
139.11186	6.8
143.08597	7.0
145.10129	21.6
147.08008	14.5
147.11696	13.7
149.09648	14.8
151.62856	6.7
157.10095	10.1
159.11711	9.4
161.09543	9.2
161.13289	8.6
163.11235	17.9
165.09026	7.3
173.13300	6.5
173.80611	6.3
175.66684	7.2
177.12819	6.6
181.12347	9.0
185.13232	10.3
187.14862	6.5
189.11176	22.9
191.10660	15.5
227.12781	25.2
245.19046	7.8
248.20612	6.4
249.18346	7.1
273.18448	45.4
275.20068	8.4
277.21432	7.2
291.19492	92.2
309.20566	14.4
335.25735	100.0
347.22183	10.1
365.23282	29.6
383.24277	22.8
527.84027	6.8
559.81470	7.6
625.44214	23.1
643.45782	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1853
Annotation	Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03925	4.6
55.01855	1.7
55.05487	1.0
57.03423	1.5
58.06571	1.4
61.02897	2.9
66.60020	0.7
69.03418	30.7
69.22807	4.7
71.04969	2.6
81.03404	27.7
81.03765	0.4
81.07040	0.7
83.01315	3.1
83.08522	0.9
85.02892	33.1
95.04933	1.7
96.08125	0.7
97.02876	50.2
99.04435	11.1
100.04769	0.9
100.11230	2.4
105.03369	3.2
105.06989	0.9
106.03715	1.5
108.55655	0.6
109.02858	94.0
110.03182	1.4
115.03912	1.2
119.08517	1.1
121.02834	1.6
121.10109	0.7
127.03893	59.6
128.04224	0.9
139.03891	5.6
142.32208	0.6
145.04929	9.7
153.01801	3.0
156.01642	0.8
158.55862	0.7
165.01814	1.6
169.04927	10.4
177.05363	1.0
182.15387	1.0
185.05931	0.8
187.05988	31.0
205.06956	1.0
205.50656	0.8
213.05424	0.8
229.07004	6.2
241.05139	0.9
247.08092	3.1
287.05447	100.0
288.05807	3.3
342.70065	0.8
433.11139	3.2
678.29871	3.2
679.30310	6.0
679.50818	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	679.1861
Annotation	Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside
Peak:m/z	Relative Intensity
51.12545	0.2
52.88447	0.3
53.03939	4.4
55.01862	1.1
55.05489	0.4
55.20273	0.3
57.03422	0.8
58.42916	0.3
61.02914	0.7
62.82202	0.3
63.93534	0.2
64.19263	0.2
67.70608	0.3
69.03420	5.4
69.10925	1.6
71.04982	3.5
73.02905	0.5
81.03407	18.5
83.01343	0.4
83.04959	0.5
85.02895	12.7
97.02883	7.0
99.04447	14.6
100.11247	1.6
103.03931	7.2
107.04936	0.3
109.02867	30.7
110.03201	0.3
111.04438	0.4
115.03928	0.6
121.02846	0.6
127.03899	100.0
128.04245	1.5
139.03882	1.1
145.04924	6.4
153.01801	0.9
163.03972	0.3
165.01836	0.5
169.04944	10.7
182.15370	1.0
187.05994	19.8
188.06221	0.5
195.10287	0.3
209.16512	0.7
210.14876	1.0
211.06108	0.3
229.07045	29.4
230.07416	0.9
247.08109	10.2
287.05466	37.8
288.05701	1.3
305.79526	0.3
433.11200	2.0
661.48315	0.4
679.50897	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	679.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19344	0.1
51.02372	0.3
53.03940	9.6
53.53412	0.1
55.01864	0.4
57.03423	0.4
59.00038	0.1
59.75532	0.1
61.02910	0.9
66.76944	0.1
67.01865	1.5
67.53475	0.1
68.99802	0.4
69.03063	0.2
69.03421	3.7
69.63855	0.6
71.04981	1.6
73.02902	0.2
73.72207	0.2
81.03405	9.6
85.02897	2.3
97.02882	10.1
99.04446	3.4
99.70853	0.2
100.11244	0.6
103.03923	0.2
105.03370	0.2
107.01691	0.2
107.04897	0.2
109.02863	21.0
110.03194	0.2
111.00780	0.5
112.12619	0.1
115.03926	0.3
117.03338	0.2
121.02837	1.7
121.06516	0.2
127.03897	18.0
128.04221	0.3
129.05434	0.2
133.02831	0.4
137.02318	0.5
137.06030	0.3
145.02834	0.5
145.04935	0.6
147.04408	0.3
150.02278	0.1
153.01804	2.4
155.08397	0.2
157.06508	0.3
165.01797	1.4
169.04939	1.0
171.06442	0.2
177.05446	1.2
183.02882	0.6
185.05893	0.4
187.05989	6.8
190.62180	0.2
197.06059	0.2
202.42004	0.2
209.16476	0.3
213.05382	0.9
229.06996	0.3
231.06494	0.6
241.04881	0.5
258.05148	0.8
259.05847	0.3
262.63739	0.2
287.05447	100.0
288.02643	0.2
288.05807	4.1
299.05573	0.2
395.07404	0.7
433.11237	5.9
434.11636	0.4
437.08472	0.6
455.09799	0.2
533.12341	0.2
585.92761	0.2
679.50751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62984	0.6
55.05509	2.0
56.34045	0.6
58.06595	1.7
60.95577	0.5
61.35574	0.6
64.25745	0.5
67.05492	2.7
68.25917	0.5
69.07038	1.4
69.33353	1.3
69.33767	2.0
71.08658	0.6
79.05492	3.2
81.03413	0.8
81.07056	3.2
83.08617	1.3
84.97626	0.5
91.05472	2.4
93.07034	2.6
95.04960	0.9
95.08611	1.7
95.16016	0.6
97.02850	0.9
97.06516	0.8
98.23438	1.2
105.07002	1.8
106.64465	0.7
106.93220	0.5
107.04948	0.8
107.08615	1.3
109.06512	0.9
109.10136	1.2
117.06987	0.9
119.08566	2.2
121.10103	0.8
129.07016	0.6
131.08572	0.8
133.10121	1.0
135.08009	0.9
143.08528	0.6
145.10109	1.4
147.11594	0.7
149.09601	0.8
157.10114	0.8
163.11176	1.1
181.12315	0.9
257.93103	0.6
258.29779	0.6
269.78687	0.5
295.22366	0.7
320.33005	0.6
378.99695	0.6
488.56448	0.7
500.85043	0.6
507.24396	1.0
679.34412	100.0
680.34833	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	680.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03929	2.3
55.01860	0.6
55.05492	1.3
58.06573	1.0
60.11575	0.5
67.05505	1.2
69.03415	1.1
69.07052	0.9
70.06577	1.3
70.33378	0.9
77.03921	2.2
79.05496	2.5
79.05884	0.5
81.03399	2.0
81.07047	1.6
82.06547	1.0
84.47924	0.5
85.02902	3.3
91.05471	2.4
93.07011	1.1
94.06552	1.9
95.04955	13.7
95.08586	0.7
96.08105	0.7
97.02892	1.4
100.11224	1.3
105.03381	76.1
105.04401	5.4
105.07006	1.4
106.03707	0.9
107.07307	1.5
107.08591	0.7
108.08111	2.3
108.44109	0.5
111.08089	0.5
115.05438	0.7
117.07019	1.3
118.06567	0.9
119.08602	0.7
121.06522	0.6
123.04441	0.9
124.07562	0.9
125.02321	2.0
129.06979	1.2
131.08553	1.1
133.06517	0.6
133.10095	0.6
135.04500	0.6
135.08063	0.6
137.09654	0.6
138.09062	1.2
140.22649	0.5
141.06990	1.6
143.08560	0.8
144.08058	1.3
145.06516	0.8
145.08846	1.3
145.10069	0.8
146.09636	1.1
153.06995	0.9
155.08560	1.5
157.10126	0.6
158.09706	0.7
159.08078	1.1
159.10518	0.5
161.09529	0.5
162.09195	0.6
165.06961	1.0
167.08594	1.4
168.10263	1.3
169.06319	0.5
171.08128	0.6
171.10411	1.4
172.11327	1.2
173.05988	0.8
175.13731	0.5
179.08513	1.1
181.10181	1.0
182.09630	0.7
184.11174	0.6
185.09627	0.9
187.11169	0.6
188.10710	0.6
190.07819	0.7
191.08650	0.6
193.10101	0.9
195.07913	0.9
196.11215	1.0
197.11865	0.6
203.08516	1.2
205.10089	1.1
207.11732	0.7
209.09557	0.7
210.14944	0.6
211.13332	0.6
217.05040	0.9
217.10187	0.5
221.09521	0.6
228.10176	0.9
233.09642	0.6
249.09140	0.5
300.77191	0.5
329.13950	1.1
381.46530	0.5
465.24994	0.8
476.20554	1.4
482.21381	1.2
494.21625	2.2
508.23193	3.8
518.30377	0.6
526.24377	1.9
558.26758	0.6
630.27002	4.7
631.28912	0.6
637.19556	0.6
648.28229	0.7
662.29156	0.7
680.30518	100.0
681.30994	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	680.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14597	2.0
53.03933	6.6
55.01860	22.7
55.05504	27.4
57.03432	35.5
58.06600	3.6
58.52045	2.3
58.56072	2.2
59.44170	2.4
61.02920	9.2
65.03944	3.0
67.05496	39.1
68.02605	2.2
69.03418	16.7
69.07063	31.9
69.10264	15.2
71.04991	6.2
73.02901	7.3
73.06552	3.0
77.03947	3.3
79.05482	42.6
81.03407	100.0
81.07047	51.5
81.07496	4.2
83.01298	2.4
83.04979	25.8
83.08607	25.5
85.02901	36.5
85.06517	5.0
87.04446	3.0
91.05476	71.2
93.07036	30.2
95.04958	41.9
95.08595	16.4
97.02898	12.4
97.06531	10.2
97.10176	4.7
99.08092	7.3
100.11249	9.3
103.03933	3.4
105.03391	17.4
105.04516	4.8
105.07017	27.3
106.03693	3.0
107.04282	3.4
107.04923	18.9
107.08581	18.9
109.06512	9.1
109.10164	8.5
111.04446	5.5
111.08051	16.6
113.05990	3.9
115.05445	3.4
115.07560	3.8
115.44621	2.3
116.04697	3.1
117.07018	10.9
119.08565	48.0
121.06503	5.1
121.10131	12.6
123.08096	4.0
125.05972	16.1
125.09642	5.4
127.03917	2.2
127.07533	4.4
129.05469	56.4
129.06958	15.7
131.08546	11.6
133.06477	6.4
133.10158	11.6
135.08054	30.6
135.11679	4.1
136.08830	4.2
137.06000	3.0
137.09598	14.4
142.07777	2.4
143.07007	34.7
145.06436	2.3
145.10123	5.6
147.08069	10.7
147.11665	18.8
149.09610	9.6
157.10083	18.6
158.05687	2.8
161.08061	3.1
163.06180	2.1
163.07523	7.0
163.11227	4.7
165.09145	11.0
167.07317	2.6
171.06509	2.9
171.10185	9.0
172.10902	4.2
175.11130	20.8
176.11429	2.9
181.08577	4.4
182.15248	3.0
183.10133	2.3
189.11226	2.7
193.12218	69.9
199.09644	6.7
209.16508	3.4
210.14915	2.7
211.13261	92.2
227.12852	7.8
237.90388	2.9
239.12733	9.1
247.13211	4.6
255.12242	15.7
267.15771	17.3
273.13287	81.4
274.13644	2.9
280.97662	2.4
285.16928	65.1
411.23880	4.5
431.24197	3.1
447.23441	3.2
449.25381	4.4
465.24863	17.1
483.19165	4.4
483.25803	57.8
679.50616	5.6
680.30237	21.9
680.51251	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	680.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14597	2.0
53.03933	6.6
55.01860	22.7
55.05504	27.4
57.03432	35.5
58.06600	3.6
58.52045	2.3
58.56072	2.2
59.44170	2.4
61.02920	9.2
65.03944	3.0
67.05496	39.1
68.02605	2.2
69.03418	16.7
69.07063	31.9
69.10264	15.2
71.04991	6.2
73.02901	7.3
73.06552	3.0
77.03947	3.3
79.05482	42.6
81.03407	100.0
81.07047	51.5
81.07496	4.2
83.01298	2.4
83.04979	25.8
83.08607	25.5
85.02901	36.5
85.06517	5.0
87.04446	3.0
91.05476	71.2
93.07036	30.2
95.04958	41.9
95.08595	16.4
97.02898	12.4
97.06531	10.2
97.10176	4.7
99.08092	7.3
100.11249	9.3
103.03933	3.4
105.03391	17.4
105.04516	4.8
105.07017	27.3
106.03693	3.0
107.04282	3.4
107.04923	18.9
107.08581	18.9
109.06512	9.1
109.10164	8.5
111.04446	5.5
111.08051	16.6
113.05990	3.9
115.05445	3.4
115.07560	3.8
115.44621	2.3
116.04697	3.1
117.07018	10.9
119.08565	48.0
121.06503	5.1
121.10131	12.6
123.08096	4.0
125.05972	16.1
125.09642	5.4
127.03917	2.2
127.07533	4.4
129.05469	56.4
129.06958	15.7
131.08546	11.6
133.06477	6.4
133.10158	11.6
135.08054	30.6
135.11679	4.1
136.08830	4.2
137.06000	3.0
137.09598	14.4
142.07777	2.4
143.07007	34.7
145.06436	2.3
145.10123	5.6
147.08069	10.7
147.11665	18.8
149.09610	9.6
157.10083	18.6
158.05687	2.8
161.08061	3.1
163.06180	2.1
163.07523	7.0
163.11227	4.7
165.09145	11.0
167.07317	2.6
171.06509	2.9
171.10185	9.0
172.10902	4.2
175.11130	20.8
176.11429	2.9
181.08577	4.4
182.15248	3.0
183.10133	2.3
189.11226	2.7
193.12218	69.9
199.09644	6.7
209.16508	3.4
210.14915	2.7
211.13261	92.2
227.12852	7.8
237.90388	2.9
239.12733	9.1
247.13211	4.6
255.12242	15.7
267.15771	17.3
273.13287	81.4
274.13644	2.9
280.97662	2.4
285.16928	65.1
411.23880	4.5
431.24197	3.1
447.23441	3.2
449.25381	4.4
465.24863	17.1
483.19165	4.4
483.25803	57.8
679.50616	5.6
680.30237	21.9
680.51251	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.82621	0.2
55.01857	0.6
57.00216	0.2
57.03426	1.5
58.06591	0.4
61.02918	2.8
65.03918	0.3
67.01846	0.2
68.99770	0.3
69.03417	14.8
71.05007	2.0
73.02893	0.7
79.05490	0.3
81.02954	0.4
81.03407	6.9
81.07069	0.5
83.01334	1.1
85.02890	18.1
87.04456	0.4
91.05466	0.4
95.04958	0.4
95.08582	0.3
97.02876	27.4
98.03162	0.2
99.04433	5.5
105.03397	0.4
109.02859	24.9
110.03223	0.2
111.00773	0.6
111.04405	0.2
115.03921	1.7
121.02831	0.9
123.04459	0.3
127.03892	16.4
135.04355	0.3
137.02315	3.1
137.05978	0.3
139.03882	1.8
145.02821	0.7
145.04932	8.4
149.02312	0.4
153.01804	3.2
157.04944	1.1
163.03934	0.5
165.01820	2.2
166.02679	0.3
169.04948	2.2
173.05908	0.4
175.03929	0.4
175.05981	0.5
177.05450	1.1
178.05907	0.3
183.02888	0.8
183.04326	0.3
187.05992	5.3
187.07578	0.4
191.06813	0.3
195.02765	0.3
201.05452	1.3
203.82663	0.2
205.05159	0.2
205.07021	5.5
228.04114	0.3
229.04904	3.5
247.05986	0.8
257.04355	2.4
274.04651	0.9
279.10358	0.3
285.03802	1.4
291.23306	0.3
292.23508	0.3
294.12341	0.3
295.09464	0.5
303.04926	100.0
304.05243	3.4
315.04721	0.2
477.10233	6.8
507.11063	0.4
681.33179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01858	0.3
55.05484	0.5
57.03419	0.5
58.06588	0.4
61.02906	0.8
65.03934	0.3
67.05494	0.5
68.99771	0.4
69.03420	3.0
71.04946	0.4
71.43970	0.2
73.02896	0.3
74.94576	0.2
79.05502	0.3
81.03404	1.5
81.07033	0.3
83.08645	0.2
85.02896	5.1
87.04439	0.3
91.03956	0.2
91.05452	0.3
93.03388	0.2
93.07009	0.5
95.04918	0.3
95.08585	0.3
97.02877	5.1
99.04414	0.7
100.11235	1.6
101.11557	0.3
105.03376	0.4
105.07008	0.3
107.08582	0.3
109.02847	1.9
109.10136	0.5
110.06054	0.2
111.00774	1.1
119.08543	0.3
121.02856	0.8
121.06493	0.4
123.04398	0.3
123.74292	0.2
127.03898	2.2
131.08516	0.3
137.02296	3.0
137.05986	0.5
145.02843	0.3
145.04935	0.7
145.10089	0.2
149.02286	0.5
151.07530	0.2
153.01784	3.2
157.04935	0.6
161.05960	0.5
163.03871	0.7
165.01797	1.7
166.02594	0.4
169.04985	0.2
173.05980	0.3
177.05443	0.7
179.03313	0.2
182.15332	0.5
183.02844	0.8
187.03943	0.3
187.05957	0.5
201.05469	1.3
209.16420	0.3
210.14830	0.5
210.16742	0.4
211.15271	0.4
215.03285	0.2
217.06900	0.5
229.04941	3.8
229.07028	0.3
247.05951	0.5
247.08151	0.3
250.34192	0.2
257.04401	3.3
273.70377	0.2
274.04684	0.8
285.03836	1.0
287.05283	0.3
303.04935	100.0
304.05258	3.4
519.11261	4.5
520.11328	0.3
680.51190	2.1
681.30884	0.4
681.51434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05504	9.7
57.03426	9.5
57.07074	1.3
58.06557	1.0
61.02926	1.9
65.03938	2.4
67.05494	44.4
69.03426	1.8
69.07052	4.9
70.68118	1.1
70.68447	0.9
71.04992	1.6
73.02949	1.0
79.05480	32.4
81.03403	1.2
81.06563	1.4
81.07045	29.1
83.04982	2.0
83.08607	4.4
85.02898	1.7
85.06525	1.7
91.05466	77.2
91.16444	0.8
93.07033	33.6
95.04961	7.2
95.08593	20.1
95.09206	1.1
97.06519	1.4
97.10162	1.1
99.08081	1.2
105.03389	2.7
105.04514	1.9
105.07012	29.9
107.04960	0.8
107.08581	13.8
107.26726	0.7
109.06523	2.6
109.10145	9.6
111.08072	1.2
117.07001	4.7
119.08560	8.2
121.10129	14.3
123.11689	2.6
125.09671	1.7
128.06221	2.3
129.06975	0.9
131.08556	7.4
133.10109	83.4
134.10451	2.3
135.08047	0.8
135.11665	11.0
137.09608	1.2
137.13239	1.1
143.08537	3.7
145.10129	4.6
147.11665	2.9
149.09656	1.3
149.13261	2.8
151.11159	4.9
159.11679	2.7
161.09608	12.9
163.11086	0.9
173.13264	2.5
179.10651	2.0
189.16368	1.0
197.11722	2.5
215.17952	8.6
233.18959	9.7
234.47183	0.7
235.13289	0.9
243.53369	0.8
251.12688	1.1
253.14305	61.8
254.14926	1.0
275.68982	0.8
289.21616	0.8
307.22623	100.0
308.23013	3.5
393.27335	1.0
485.32553	69.2
486.32919	3.1
503.33167	1.5
643.62164	0.9
682.26025	1.2
683.33936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1809
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
50.30146	0.7
53.03933	2.7
55.01867	0.9
57.03423	2.5
58.06577	1.7
58.43214	0.8
61.02919	5.1
69.03419	40.9
70.06599	1.0
71.04974	2.5
71.30305	0.9
72.00398	0.6
81.02953	1.1
81.03407	15.3
81.07048	0.9
83.01334	2.6
84.51196	0.7
84.76575	0.6
85.02894	40.0
90.45009	0.6
93.07043	0.9
95.08620	0.8
97.02883	36.4
99.04444	13.6
105.07047	0.9
109.02864	100.0
110.03197	0.9
115.03908	2.1
119.08591	0.9
127.03902	51.1
128.04227	0.7
129.39447	0.7
131.08592	1.0
133.10130	2.2
137.05949	1.8
139.03877	6.7
145.03023	1.0
145.04953	13.7
153.01872	3.6
153.02945	0.8
169.04950	12.9
173.13196	1.3
177.05411	1.9
181.04919	1.3
187.05971	14.7
187.07544	1.1
191.14339	2.0
192.14609	0.7
205.07031	20.9
207.06622	0.7
229.05013	2.3
246.05273	1.0
253.41624	0.8
257.04446	2.0
274.04630	2.0
285.03925	2.2
302.04221	7.7
317.06506	71.1
318.06824	2.4
322.37381	0.7
326.38818	0.7
359.07779	1.1
383.75946	0.7
479.11896	4.3
480.12207	0.8
491.54413	0.9
508.22357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4487
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05503	1.1
57.03423	1.1
58.40086	1.1
62.81785	0.9
67.05496	3.6
69.07036	1.6
69.76571	1.0
71.05001	1.1
71.57163	1.0
73.56912	0.9
73.68178	1.0
76.05140	1.2
79.05492	4.2
81.07056	3.7
83.08636	1.4
87.53909	1.1
91.05434	1.7
93.07047	3.5
95.04974	1.8
95.08613	2.3
98.23499	2.3
105.07027	2.5
107.08589	3.3
115.18378	1.2
119.08563	1.7
133.10094	1.7
135.11667	1.2
145.10126	1.2
222.40933	1.0
225.04399	1.5
279.73254	1.2
333.20364	8.2
373.23734	1.4
389.23026	4.6
403.03152	1.0
683.44818	100.0
684.45514	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	684.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01576	0.7
51.02373	1.0
53.03935	2.9
55.01851	0.3
57.03417	0.4
69.03066	0.3
69.03418	4.7
71.04966	0.9
71.08023	0.2
77.03909	2.5
79.05477	3.0
81.03404	10.2
81.03891	0.5
82.03751	0.2
83.63016	0.2
85.02892	5.5
91.05459	2.1
93.07034	3.3
94.50998	0.2
95.04953	12.3
97.02874	6.7
98.05983	0.2
99.04433	1.4
103.05461	2.3
105.03376	100.0
105.04385	5.6
106.03713	1.3
106.62401	0.2
109.02856	7.0
121.06484	44.4
122.06823	0.6
123.04410	5.6
127.03899	6.2
145.04942	2.6
145.06143	0.2
145.06526	0.2
152.10678	36.3
153.11044	0.5
165.05527	0.3
175.17738	0.2
194.11745	0.3
195.06384	0.3
231.06467	1.5
232.91382	0.2
249.07541	15.0
250.07834	0.4
267.08597	9.2
367.16406	0.2
382.16513	0.2
400.17401	0.4
418.18512	11.1
419.18839	0.4
433.90881	0.2
510.89175	0.2
648.23663	0.4
666.25519	0.7
684.26312	11.1
685.26672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
57.16294	0.2
58.06581	0.3
65.03936	0.6
69.03418	0.9
71.04980	0.3
72.75497	0.2
73.02924	0.2
73.04747	0.2
81.03397	0.5
83.04970	0.6
84.61426	0.2
85.02875	1.2
89.03870	0.3
91.05459	12.3
92.05836	0.2
97.02882	0.3
99.04430	0.4
101.05995	1.7
103.05412	0.2
105.07000	0.3
107.04960	0.2
109.02872	0.2
118.04131	0.5
119.04926	24.2
120.05238	0.7
121.02843	0.2
121.06496	0.2
127.03908	0.5
129.03326	0.6
131.04871	0.3
132.02043	0.8
133.02853	0.5
137.05945	0.3
137.08002	0.3
144.66734	0.2
145.02818	0.6
146.03583	0.5
147.04384	21.0
148.04747	0.5
149.02318	0.5
157.03925	2.6
163.03937	0.5
164.04662	0.7
167.07028	0.5
167.12903	0.2
174.03127	0.8
175.03877	38.8
176.04280	0.9
177.05431	0.5
179.06978	1.9
192.04170	1.6
207.06485	100.0
208.06845	2.3
214.17911	0.4
225.07465	1.3
239.09402	0.4
315.08313	0.3
319.15356	0.3
325.12512	0.3
343.13803	0.7
351.10602	0.7
355.17679	0.2
369.11743	7.0
487.17630	0.7
684.36279	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06587	0.7
65.03921	1.0
69.03415	0.9
83.04967	0.7
85.02891	1.7
91.05460	11.7
97.02879	0.6
98.65301	0.4
101.06007	1.9
104.24688	0.4
107.04953	0.5
109.02878	0.5
119.04927	20.3
127.03915	0.5
129.03299	0.4
132.02057	0.8
133.66980	0.4
137.06023	0.6
145.02852	0.5
147.04388	18.3
148.04695	0.6
149.02435	0.5
151.02065	0.4
157.03992	2.4
163.03886	0.7
164.04631	0.8
167.05505	0.6
174.03101	0.4
175.03882	40.1
176.04294	0.9
179.07060	2.0
192.04140	1.1
207.06491	100.0
208.06917	2.5
225.07507	0.8
243.12617	0.5
267.67691	0.4
369.11734	6.3
487.18268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2794
Annotation	Trifoliolasine F
Peak:m/z	Relative Intensity
50.01581	0.8
51.02370	1.8
51.40681	0.3
53.03714	0.4
53.03939	3.2
55.01862	0.4
56.05048	0.4
58.06579	0.7
69.68134	0.9
69.68557	0.6
70.06584	0.4
74.06051	0.8
77.03918	3.8
79.05473	0.6
81.07033	0.6
84.08167	0.3
86.06071	0.6
91.05466	1.7
92.00396	0.3
93.07034	0.7
94.06553	0.7
95.04954	16.5
96.05251	0.4
96.08101	0.5
98.23452	0.7
100.83984	0.4
105.03378	92.7
105.04396	6.4
105.06998	1.8
106.03719	1.1
107.07333	0.4
108.08085	0.8
110.06027	0.8
111.85530	0.3
115.05447	0.6
117.06957	0.6
119.08589	0.3
120.08102	0.4
121.06488	1.4
122.06025	0.4
124.07627	0.6
128.06178	0.5
129.06998	1.6
131.08493	0.8
132.08134	0.4
133.06464	0.4
134.09608	0.6
136.07576	0.7
141.06987	0.9
143.08505	1.0
144.08063	0.8
145.06482	1.2
145.08942	0.3
146.09630	1.4
147.08000	0.8
148.07541	0.5
150.09142	0.6
153.06995	0.4
155.08542	1.8
157.08862	3.1
158.09630	8.9
159.08041	0.6
159.10341	0.7
160.07605	0.5
160.11224	1.1
162.09081	0.6
165.06978	0.8
167.08528	0.9
169.10144	0.8
173.08318	0.3
174.09152	2.0
176.10661	0.8
178.07739	0.8
179.08571	1.4
181.10110	1.3
183.08104	0.5
183.11810	0.5
184.11229	0.6
185.09560	0.4
187.09891	0.4
188.10643	0.5
191.08540	0.4
192.09174	1.8
193.10101	1.9
195.08055	0.5
195.11771	0.7
196.11105	0.6
197.09721	0.6
198.12714	0.4
200.10718	0.8
203.08546	1.0
204.09326	1.0
205.10139	1.2
206.10826	0.8
207.11676	2.2
208.11249	0.9
209.09534	0.8
212.10732	0.6
216.09590	0.4
217.10014	0.4
218.10831	1.6
219.08131	0.4
219.11737	1.4
220.11134	0.5
221.09691	0.7
221.13249	0.9
223.11139	0.6
223.14857	0.5
224.10736	0.4
226.12320	0.4
231.11806	0.4
233.13353	1.8
234.10590	0.5
234.12891	0.4
235.11176	0.9
237.12782	0.5
238.12196	0.6
243.11821	0.5
246.10370	0.5
246.12758	0.4
247.13440	0.6
248.14371	1.2
249.12714	1.3
249.15125	0.4
250.12315	0.4
251.14359	0.7
259.13565	0.6
261.12656	0.9
262.15948	1.0
264.13922	0.7
264.17480	1.0
274.15909	1.4
276.14005	0.8
279.13818	0.5
280.16916	0.5
282.18500	0.7
290.15216	1.6
292.16873	3.8
294.15012	0.4
302.15143	0.7
308.16437	1.4
310.18048	2.0
320.16431	3.2
334.18234	0.6
338.17456	4.2
339.18018	0.5
350.17612	0.4
352.19131	1.0
356.18622	0.8
357.54413	0.4
368.18796	0.7
380.18481	3.5
398.19534	5.7
440.20557	1.1
442.20062	0.5
460.20935	0.6
502.22122	4.3
503.22232	0.4
520.23254	0.8
534.24756	0.4
544.23218	0.9
562.24213	6.4
563.24329	0.4
570.10052	0.4
606.24792	0.5
624.25781	0.5
666.26746	1.1
670.78436	0.4
684.27887	100.0
685.28174	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	684.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.0
51.02366	1.9
53.03941	3.4
55.01872	0.8
56.05014	0.5
56.46530	0.5
62.52813	0.4
69.42028	2.5
74.06068	1.1
76.20634	0.5
77.03925	4.3
79.05482	1.5
82.06568	0.7
83.07089	0.5
86.41219	0.5
88.55862	0.5
91.05479	1.9
95.04959	17.3
105.03380	100.0
105.04402	7.2
105.07015	1.9
106.03728	1.6
108.08121	1.1
110.06044	1.5
117.06999	1.0
121.06515	0.8
124.07607	1.0
129.06996	1.3
131.08531	0.8
133.06462	0.7
134.09610	0.8
143.08546	1.5
145.06436	0.8
146.09599	1.3
147.07974	1.2
148.07545	1.0
155.08511	1.9
157.08894	1.0
158.09631	3.3
160.07593	0.5
160.11232	0.7
162.09181	1.0
167.08470	0.7
174.09131	3.5
176.10664	0.9
178.07735	0.6
179.08545	1.9
181.10095	1.3
184.11101	0.7
192.09322	1.7
193.10139	2.4
195.11673	1.1
196.11153	0.6
203.08496	0.9
204.09378	1.1
205.10147	1.4
206.10823	1.0
207.11714	2.0
209.09840	0.7
209.13251	0.7
218.10986	1.4
219.11743	2.6
221.13257	1.8
223.14833	0.9
233.13257	2.0
235.11111	0.8
235.14859	0.7
243.11534	0.8
248.14433	0.7
249.12755	1.6
259.13480	0.8
261.12674	0.7
264.17496	0.7
274.15912	1.6
290.15460	1.6
292.16931	4.5
302.15222	0.6
308.16388	0.7
310.18103	1.9
320.16537	2.4
338.17526	2.7
352.19196	1.6
356.18451	1.9
360.88715	0.5
398.19537	2.6
414.20551	0.7
460.21344	0.9
562.24384	4.8
612.66278	0.6
624.25806	1.2
672.65869	0.7
673.49121	0.7
684.27899	89.5
685.28326	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	684.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
51.02367	2.3
53.03941	3.7
56.05025	0.5
58.06593	0.8
67.45043	0.4
69.78922	1.5
70.06570	0.7
72.04498	0.5
74.06065	2.8
77.03911	3.9
79.05482	0.6
81.03437	0.6
86.69622	0.5
91.05433	2.2
93.07036	0.6
94.06573	0.9
95.04951	18.4
105.03377	94.8
105.04399	6.5
105.06977	2.4
106.03724	1.2
108.08112	1.0
110.06033	1.2
114.05527	0.5
116.07054	0.6
117.07011	0.5
119.08527	0.7
121.06447	0.7
128.06223	0.5
129.06969	1.4
131.07396	0.4
131.08575	1.3
136.07550	0.4
143.08533	1.5
144.08087	0.9
145.06465	1.3
146.09679	0.6
147.08002	0.8
155.08533	2.7
157.08830	3.6
157.09991	0.6
158.09625	8.1
159.08017	1.0
160.11250	0.7
162.09111	0.8
165.06964	1.0
166.07770	0.8
167.08540	1.9
169.10083	0.9
174.09116	2.8
176.10744	0.7
178.07770	1.7
179.08560	2.0
181.10158	1.2
184.11298	0.6
188.10706	0.7
191.08510	0.7
192.09325	3.6
193.10062	3.3
194.10959	1.0
195.10208	0.5
200.33458	0.4
203.08571	1.7
204.09302	0.7
205.10176	1.4
206.11006	0.9
207.11688	3.7
208.08679	0.4
208.11255	0.5
209.09720	0.5
209.13272	2.5
211.11359	0.5
212.10738	0.6
216.09406	0.6
217.10129	0.9
218.10851	2.5
219.11668	2.0
221.13297	1.1
222.12746	0.6
223.11133	0.5
223.14677	0.6
230.46838	0.5
231.11938	0.8
232.11288	0.6
233.13283	2.8
235.11111	1.3
238.12364	0.7
243.11740	1.4
248.10646	0.6
248.14401	1.3
249.12790	1.1
250.12227	0.9
251.14296	1.0
252.14076	0.5
258.12793	0.8
260.14291	0.6
261.12762	1.6
262.15836	1.4
264.17480	1.1
274.15875	2.5
290.15399	1.3
292.16898	4.7
310.17990	1.8
312.76682	0.5
320.16461	3.0
338.17355	3.1
352.19052	2.1
380.18509	1.6
398.19620	1.7
440.20517	1.3
461.40479	0.4
474.22507	0.6
502.22131	1.3
562.24225	4.8
624.25574	3.8
634.46075	0.5
651.98297	0.5
684.27863	100.0
685.28137	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	684.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.05494	2.0
57.03419	0.5
57.07047	0.3
61.02909	0.4
67.05492	1.6
69.03414	0.9
69.07056	5.8
69.48424	0.2
69.66428	0.3
69.66775	0.8
71.04974	0.3
71.07986	0.2
73.02882	0.6
79.05474	0.9
81.07040	2.2
83.08605	1.8
85.02905	2.5
85.06530	0.4
91.05434	2.6
93.07047	1.4
95.04940	0.5
95.08018	0.4
95.08590	5.4
97.02856	1.3
105.07012	7.0
107.08578	3.0
109.02862	0.3
109.06481	0.4
109.10136	4.8
115.03858	0.4
117.07005	1.1
119.08558	30.4
120.08883	0.8
121.10124	1.4
123.08034	0.3
123.11726	0.3
127.03912	0.7
129.06935	0.2
129.39925	0.2
130.56787	0.2
131.08540	1.1
133.04973	0.3
133.10106	27.0
134.10469	0.5
135.11693	2.1
137.09578	2.1
145.04926	0.4
145.10072	1.6
147.11659	4.7
149.13290	0.6
151.14764	0.7
160.12407	1.3
173.13152	0.7
175.14790	100.0
176.15155	2.9
177.05499	0.3
177.16333	0.9
193.15851	15.1
194.16241	0.5
197.12041	0.3
198.07181	0.2
259.08157	0.3
307.07355	0.2
365.28839	0.3
444.43414	0.2
471.33286	0.3
509.70334	0.3
510.27356	0.3
666.57257	0.3
684.27899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65726	0.3
53.03936	0.4
55.01859	0.8
55.05502	5.1
56.44126	0.3
57.03420	1.8
57.07062	0.6
58.06591	0.5
61.02920	1.0
63.96871	0.4
65.03928	0.5
65.98709	0.3
67.05500	2.4
69.03415	3.4
69.07062	9.6
69.47660	0.6
69.48071	1.0
71.04980	1.3
73.02914	4.0
79.05492	2.1
81.03412	0.9
81.07047	5.3
83.04971	1.1
83.08603	2.9
85.02892	8.7
87.04459	0.9
91.05456	7.3
92.87279	0.3
93.07029	2.9
95.04964	0.7
95.08010	0.6
95.08598	6.5
97.02878	5.9
98.23437	0.6
99.04446	0.6
103.03913	0.6
103.05422	0.4
105.04523	0.4
105.07019	14.2
106.07341	0.4
107.08580	7.8
109.02820	0.7
109.06506	0.5
109.10138	4.2
115.03928	2.6
117.07021	2.7
119.08566	56.4
120.08889	1.1
121.10123	3.6
123.08076	0.4
123.11610	0.4
127.03004	0.5
127.03893	3.3
130.07813	0.4
131.08502	1.8
133.04951	5.3
133.10112	28.7
134.10448	0.4
135.11661	0.9
137.05974	0.6
145.04938	4.1
145.10126	2.0
146.10864	0.4
147.11664	4.4
156.09608	0.3
157.10101	0.3
159.08031	0.4
160.12471	1.3
161.13232	2.4
162.76920	0.4
163.05997	2.6
173.13251	1.4
175.14798	100.0
176.15115	2.9
177.05478	0.3
177.34923	0.3
187.14795	0.4
193.15855	2.2
197.13197	0.4
199.14748	0.5
223.05878	0.4
234.23674	0.3
241.07027	0.8
259.08160	3.5
265.90332	0.4
277.09079	0.4
289.17859	0.4
295.10220	3.3
307.19034	0.8
337.20096	0.5
510.26776	0.6
684.28522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.1
53.03938	3.6
55.05507	9.8
58.06601	5.0
66.09098	2.6
67.05491	10.6
69.03427	9.5
69.07059	17.6
69.23398	10.5
69.23801	6.4
70.06571	6.5
70.80216	2.6
71.04985	17.2
73.04743	3.9
74.58429	2.9
79.05490	19.3
81.03402	8.1
81.07044	77.4
83.04961	3.9
83.08611	7.8
85.02892	26.3
85.06548	3.0
87.00829	6.9
91.05405	8.3
91.05833	10.0
93.07024	32.0
95.04962	4.2
95.08584	28.7
97.02885	11.5
97.06480	3.5
99.02364	2.8
99.04434	5.0
99.08125	7.8
103.05500	3.8
105.01855	11.7
105.03384	8.1
105.07018	37.7
107.08578	44.2
108.62399	2.7
109.02859	5.1
109.06506	3.6
109.10133	35.0
111.08083	4.3
116.09096	2.6
117.07011	4.4
119.04951	5.5
119.08567	71.8
121.06499	3.1
121.10117	15.5
123.11674	21.8
125.09622	5.4
127.03892	10.7
127.11198	29.7
133.06538	3.4
133.10106	35.7
135.11674	100.0
137.05968	12.0
137.13277	5.6
140.80612	2.7
143.10651	31.1
145.04985	4.4
145.10094	5.5
147.04387	15.0
147.11664	21.7
149.13232	8.2
150.20363	3.4
153.12729	4.1
161.13242	19.2
163.11154	3.7
163.14766	4.9
167.05501	3.8
175.14801	4.7
177.05499	6.8
180.06346	5.0
181.06506	4.4
203.17918	70.5
219.10101	6.2
221.18965	96.4
222.19342	6.8
225.04330	6.1
239.20041	4.4
241.18602	3.0
242.83694	2.9
297.76340	2.7
307.26151	5.1
315.97379	3.6
324.10535	4.1
339.10846	3.0
359.02539	3.7
429.08987	5.9
683.50940	4.9
684.25293	37.7
684.48981	8.0
685.49670	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	684.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.1
53.03938	3.6
55.05507	9.8
58.06601	5.0
66.09098	2.6
67.05491	10.6
69.03427	9.5
69.07059	17.6
69.23398	10.5
69.23801	6.4
70.06571	6.5
70.80216	2.6
71.04985	17.2
73.04743	3.9
74.58429	2.9
79.05490	19.3
81.03402	8.1
81.07044	77.4
83.04961	3.9
83.08611	7.8
85.02892	26.3
85.06548	3.0
87.00829	6.9
91.05405	8.3
91.05833	10.0
93.07024	32.0
95.04962	4.2
95.08584	28.7
97.02885	11.5
97.06480	3.5
99.02364	2.8
99.04434	5.0
99.08125	7.8
103.05500	3.8
105.01855	11.7
105.03384	8.1
105.07018	37.7
107.08578	44.2
108.62399	2.7
109.02859	5.1
109.06506	3.6
109.10133	35.0
111.08083	4.3
116.09096	2.6
117.07011	4.4
119.04951	5.5
119.08567	71.8
121.06499	3.1
121.10117	15.5
123.11674	21.8
125.09622	5.4
127.03892	10.7
127.11198	29.7
133.06538	3.4
133.10106	35.7
135.11674	100.0
137.05968	12.0
137.13277	5.6
140.80612	2.7
143.10651	31.1
145.04985	4.4
145.10094	5.5
147.04387	15.0
147.11664	21.7
149.13232	8.2
150.20363	3.4
153.12729	4.1
161.13242	19.2
163.11154	3.7
163.14766	4.9
167.05501	3.8
175.14801	4.7
177.05499	6.8
180.06346	5.0
181.06506	4.4
203.17918	70.5
219.10101	6.2
221.18965	96.4
222.19342	6.8
225.04330	6.1
239.20041	4.4
241.18602	3.0
242.83694	2.9
297.76340	2.7
307.26151	5.1
315.97379	3.6
324.10535	4.1
339.10846	3.0
359.02539	3.7
429.08987	5.9
683.50940	4.9
684.25293	37.7
684.48981	8.0
685.49670	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	684.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25092	2.0
52.75352	2.1
53.08629	2.0
55.05505	29.0
57.03434	10.3
57.07081	16.9
58.46732	1.9
61.02916	22.1
61.71888	2.2
67.05201	3.1
67.05500	33.8
67.64217	2.3
69.03382	2.7
69.07059	43.0
69.07436	2.2
69.10719	10.8
71.04980	3.6
71.08623	9.7
73.02896	9.7
73.04745	9.2
75.04469	3.3
79.05480	15.2
81.03405	3.4
81.07045	46.0
83.08604	36.1
83.46362	2.0
85.02887	27.6
85.06534	3.2
85.10177	6.8
91.03944	27.1
91.05820	14.1
93.07035	21.3
95.08595	46.1
97.02904	13.1
97.06524	7.1
97.10159	26.7
105.03395	5.5
105.07015	2.5
107.08604	18.3
107.63190	2.0
109.10162	18.5
111.08067	6.7
111.11726	7.2
121.10131	46.0
123.11707	9.3
125.09653	3.7
127.03908	8.8
127.11135	2.3
135.11674	28.7
137.13260	4.5
138.87584	2.3
139.11156	3.3
145.04951	9.8
145.85275	2.1
149.13255	12.7
151.14813	4.4
163.06044	14.4
163.14813	6.3
167.05515	6.7
181.15762	3.0
225.04305	4.1
226.04189	2.3
233.22615	36.0
239.09567	3.1
251.23680	100.0
251.26299	5.1
269.24768	21.9
283.03012	2.4
322.10657	3.2
325.27328	92.2
326.27679	5.5
337.13452	2.9
338.10141	2.6
343.28369	49.5
354.13232	7.4
355.07004	2.6
359.02637	7.1
368.14862	23.2
429.08829	5.0
475.15826	2.9
487.32669	6.1
488.16925	4.2
554.52521	2.4
684.23419	3.0
684.46600	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	684.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01855	3.8
55.05254	1.1
55.05500	16.3
57.03146	0.9
57.03428	15.0
57.07058	2.7
57.30191	0.8
59.04989	0.8
61.02921	3.7
65.03934	1.8
66.47330	0.7
67.05493	54.6
69.03410	1.6
69.07057	11.4
69.84132	2.6
71.01326	2.1
71.04980	4.4
73.02917	1.1
73.04741	1.5
77.03926	1.5
79.05479	62.2
81.03419	2.0
81.07043	37.7
82.05133	0.8
83.04965	12.4
83.08595	6.3
85.02890	3.2
85.06522	3.3
91.03925	1.2
91.05438	25.3
93.07027	68.9
94.07344	1.0
95.04951	8.8
95.08589	21.8
97.02861	1.7
97.06512	9.9
97.10142	6.6
99.04459	1.0
99.08074	2.9
105.04512	2.2
105.07012	12.6
107.04989	0.9
107.08578	33.5
109.06505	1.9
109.10132	12.7
111.08069	2.7
117.06996	6.9
119.08558	11.3
120.21801	0.9
121.06519	1.1
121.10121	24.0
123.08026	0.9
123.11679	3.5
125.09604	2.8
129.06998	1.3
130.07803	1.5
131.08546	8.3
133.10104	8.6
135.07979	1.0
135.11665	46.3
137.09589	1.6
143.08559	0.9
145.10097	11.9
147.11697	4.9
149.09590	1.4
149.13234	7.0
151.11115	1.4
153.12683	5.0
156.49484	1.0
157.10172	1.1
159.11685	6.3
160.76443	0.9
161.13229	1.8
163.11182	5.4
164.87694	0.8
167.05605	1.3
171.11595	1.3
173.13231	5.3
175.14850	1.0
181.12215	8.7
186.20584	0.8
187.14758	1.4
199.13242	2.0
205.19510	1.8
207.09314	0.8
215.17937	15.0
225.04256	1.3
233.18964	15.9
239.09448	1.0
253.14474	1.6
255.15862	76.5
256.16269	1.8
289.21503	1.4
307.22610	62.6
308.23022	1.7
354.13278	3.1
359.02759	1.2
368.14993	1.3
395.29086	1.0
413.30353	1.6
487.34070	100.0
488.34451	5.9
505.35193	1.8
633.13110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01867	5.3
55.05505	8.2
57.03427	11.5
57.07072	1.3
57.98828	0.7
65.03918	2.1
67.05494	35.5
69.03407	1.6
69.07049	7.4
70.67462	1.6
72.51243	0.7
73.02899	1.3
73.04749	2.0
79.05481	50.2
81.07046	37.9
83.04956	4.2
83.08596	3.0
85.02884	1.7
85.06538	1.1
91.05399	12.9
93.03415	1.2
93.07030	19.4
95.04948	3.3
95.08591	20.1
97.06510	2.4
97.10158	2.3
105.04482	1.7
105.07012	10.2
107.08577	100.0
108.08906	1.9
109.06507	3.7
109.10139	12.7
111.04430	5.4
111.08100	1.0
117.06991	2.7
119.03395	1.4
119.06031	1.5
119.08566	6.1
121.10126	10.0
123.11675	2.8
125.09606	9.2
129.05411	0.8
131.08559	3.6
133.10068	4.2
135.08037	2.5
135.11665	4.3
137.09599	0.9
137.13260	1.0
143.07034	2.1
145.10089	3.2
147.11624	3.6
149.13255	2.7
153.09076	3.3
159.11688	3.0
161.13231	2.0
163.14752	1.5
167.05515	1.4
171.10110	3.8
173.13234	2.0
174.31216	0.8
175.14745	1.0
177.16499	1.2
187.14847	1.8
199.09622	2.3
201.16415	1.0
206.12314	0.8
227.12744	42.9
239.09373	1.2
241.19492	0.9
243.21045	2.0
261.22101	5.9
291.23071	1.2
317.24551	1.7
333.24100	1.4
335.25751	55.2
336.26025	3.6
355.06961	1.8
359.02618	1.8
377.28525	1.2
389.26587	1.2
395.29416	3.2
413.30429	0.9
429.09128	1.3
431.31482	0.9
469.33237	1.1
487.34125	50.9
488.34415	3.7
505.35275	3.4
624.17578	0.9
652.17670	1.0
685.44830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.3
55.14661	0.3
62.29687	0.3
66.91689	0.4
67.05464	0.6
69.30417	1.9
73.04714	0.5
79.05446	0.5
81.07010	0.7
91.05747	0.7
93.06992	0.5
95.08543	0.5
105.06976	0.5
105.46345	0.3
109.10138	0.6
119.08541	0.4
125.97935	0.4
131.08545	0.5
140.50749	0.4
143.08490	0.5
159.11589	0.4
166.04933	2.1
167.05453	0.4
169.03648	0.6
249.07709	0.6
263.09113	0.4
264.10184	0.5
265.08228	0.4
266.08093	0.4
266.12228	0.4
266.60779	0.3
277.08276	0.5
278.08170	1.7
279.09070	0.6
279.12396	0.7
280.09702	2.5
292.09747	0.9
293.10382	1.0
294.07458	1.7
294.11197	2.7
295.08282	1.4
295.11810	1.0
296.09143	0.5
296.12723	0.4
304.09686	0.9
305.07864	0.7
306.07623	1.5
306.10867	0.5
307.08356	0.9
307.12076	0.6
308.09119	6.6
308.12665	0.9
309.09763	1.4
309.13538	1.0
310.10724	4.6
310.14078	0.6
311.11172	0.5
320.08948	1.7
321.09869	1.2
322.07309	1.0
322.10678	18.6
323.07626	1.1
323.11194	3.7
324.08615	5.2
324.12238	5.0
325.12650	0.7
326.13675	0.6
336.12543	2.1
337.09268	0.7
337.13031	6.4
338.10144	19.9
338.13843	8.4
339.10657	4.1
340.11615	0.5
352.11743	8.6
353.12335	4.5
353.16180	11.8
354.13284	24.6
355.13611	2.0
356.09241	0.4
366.13324	0.8
367.14056	2.5
368.14862	100.0
369.15167	8.3
370.11029	0.4
371.11462	0.5
384.08441	0.8
399.10770	1.0
401.12619	0.5
425.12634	0.5
430.12823	1.3
442.12686	1.9
445.15146	1.6
457.15164	0.8
458.12259	7.0
460.17514	13.4
461.17557	0.9
472.13956	1.2
473.14597	6.2
475.16165	22.4
476.16467	1.5
487.15939	0.5
488.16931	21.7
489.17462	1.0
491.15860	0.8
506.17953	0.7
623.16650	1.6
638.18628	3.6
653.21057	8.1
654.21924	0.9
670.21484	6.8
671.22137	0.5
685.23737	31.0
686.23706	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83796	0.2
63.44379	0.2
72.04801	0.2
79.05436	0.3
79.99788	0.2
91.05727	0.4
95.08539	0.3
98.23472	0.9
105.07040	0.2
110.28013	0.2
123.82259	0.2
126.07906	0.2
138.05435	0.5
150.54463	0.2
151.03894	0.3
162.63547	0.2
166.04971	3.3
179.33475	0.2
249.07771	0.4
250.08507	0.6
263.09323	0.3
265.08487	0.3
266.08154	0.2
266.11581	0.3
277.07535	0.3
278.08109	1.3
278.11273	0.2
279.08743	0.4
279.12424	0.4
280.09586	2.1
292.09650	1.1
293.07697	0.6
293.10654	0.5
294.07529	1.2
294.11176	2.1
295.08344	1.2
295.11993	1.0
296.09003	0.6
304.09616	0.5
305.07739	0.6
306.07617	1.5
306.11060	0.5
307.08759	0.5
307.12018	1.5
308.09152	6.1
308.12842	0.7
309.09793	0.9
309.13452	0.5
310.10709	4.6
310.14056	0.3
313.17642	0.4
320.09091	1.5
321.09912	0.8
321.21368	0.2
322.07339	0.8
322.10684	16.5
323.07761	0.8
323.11322	2.7
324.08597	3.6
324.12259	4.0
325.09232	0.4
325.12936	0.5
326.13974	0.3
334.10672	0.5
336.08737	0.5
336.12186	1.7
337.09409	0.5
337.13037	6.5
338.10135	17.3
338.13867	7.2
339.10803	2.9
340.11578	0.4
351.11987	0.6
352.11734	8.1
353.12369	3.8
353.16190	11.0
354.13284	20.4
355.13589	1.0
356.09061	0.3
366.13321	0.6
367.14035	3.0
368.14868	100.0
369.15189	5.5
370.10492	0.5
384.08551	0.7
385.12924	0.3
386.09912	0.3
399.10764	0.5
414.13391	0.5
417.15390	0.3
425.12576	0.6
426.09564	0.3
430.12756	1.0
442.12967	1.9
444.14563	0.4
445.15207	2.2
452.82358	0.3
457.15045	0.6
458.12231	7.2
459.11829	0.4
460.17493	10.2
461.17865	0.5
472.13803	1.1
473.14581	5.5
475.16199	18.4
476.16553	0.9
488.16980	17.5
489.17545	0.7
506.17676	0.6
623.16528	0.4
638.19214	0.3
652.20392	0.3
653.21277	1.8
654.22021	0.5
670.21417	8.5
671.21625	0.6
685.23761	32.3
685.43390	0.8
686.24054	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	0.9
67.05496	1.2
73.04743	1.6
79.05496	0.9
82.52245	0.8
89.81078	0.7
91.05789	2.7
95.04980	2.5
103.35472	0.8
105.03386	9.2
105.07052	1.1
106.03742	1.6
143.08546	0.8
167.05504	0.8
196.06665	0.7
311.18454	0.7
326.24692	1.3
328.09662	1.1
332.09183	1.2
333.13608	1.3
334.10626	1.5
338.13913	0.9
339.14777	1.2
340.09760	1.0
342.11252	2.5
344.09177	1.4
355.07962	0.9
356.09128	1.9
358.10696	2.8
359.02634	1.3
363.14767	0.7
369.09811	1.1
370.10797	4.2
371.11774	1.7
372.08362	1.6
372.12320	1.4
374.13858	3.2
378.13205	3.6
383.11444	0.9
384.08386	2.0
386.09790	3.7
386.14066	1.8
387.10742	4.3
397.09253	1.1
398.10013	5.8
399.10864	8.7
400.11533	2.2
401.12347	3.0
402.13425	4.9
412.11536	0.8
414.09369	2.6
414.13748	2.1
415.10205	1.5
416.14865	3.2
417.13373	3.0
429.15912	2.3
430.12830	25.4
431.12997	1.4
442.11996	1.1
444.14514	3.6
445.15143	37.9
446.15494	2.2
457.14270	0.9
458.12158	2.8
460.17297	0.9
472.14178	0.9
473.14474	6.1
487.16159	1.4
488.16980	100.0
489.17227	5.7
506.17419	1.5
563.25250	0.8
670.21503	1.2
685.23212	28.3
685.48285	3.4
686.24182	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	685.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51561	0.3
60.25872	0.3
66.02077	0.3
70.15713	0.5
70.16051	0.6
73.04713	0.6
78.98902	0.3
81.07000	0.4
81.51727	0.3
81.87901	0.3
91.05730	1.2
93.06995	0.4
95.04940	0.4
98.22752	0.4
105.03331	0.6
113.25104	0.3
133.68733	0.3
194.92253	0.4
199.80075	0.3
236.06691	0.3
251.09354	0.6
252.10110	1.0
262.08493	0.4
263.09381	0.5
264.10059	2.3
265.10864	1.3
266.11719	2.3
267.12299	0.3
276.10294	0.3
277.10870	1.2
278.08603	0.4
278.11700	2.1
279.09253	0.6
279.12460	6.2
280.09637	17.4
281.10013	0.6
292.09732	2.4
293.10339	0.6
294.11182	6.9
295.11990	6.6
305.10379	1.0
306.11258	1.6
307.12003	9.1
308.09103	1.7
308.12631	1.0
309.13544	3.6
310.14261	3.6
322.10687	3.0
323.11404	4.5
324.12024	0.4
326.24716	0.6
337.12878	0.7
338.13815	62.1
339.14172	2.3
353.16165	100.0
354.16650	4.5
359.02655	0.4
368.14932	1.2
369.15277	1.3
371.66306	0.3
443.68030	0.3
452.04596	0.3
473.14673	0.4
488.17130	1.1
523.29102	0.4
670.20898	0.3
685.23309	1.8
685.34204	2.3
685.49017	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70435	0.3
67.05444	0.8
73.04687	0.6
81.07001	0.4
91.05697	1.3
93.06937	0.3
98.23496	0.6
105.03356	0.4
119.08508	0.5
145.10081	0.3
236.10651	0.4
251.09259	0.9
252.10083	0.9
263.09503	0.4
264.10172	2.6
265.10904	1.5
266.11685	2.4
267.12558	0.7
277.10919	1.1
278.11719	1.6
279.12515	6.6
280.09644	19.2
281.10043	0.5
292.09631	2.7
293.10388	1.2
294.08099	0.5
294.11227	6.2
295.08844	0.5
295.12006	7.7
305.10370	0.8
306.11163	1.3
307.11996	8.7
308.09094	1.8
308.12585	1.0
309.13541	4.3
310.14377	3.9
322.10666	2.9
323.11429	4.5
324.08615	0.5
326.24875	0.5
337.13040	0.4
338.13806	63.3
339.10562	0.5
339.14096	2.0
353.16165	100.0
354.16672	4.8
359.03076	0.6
362.10297	0.7
368.14856	1.0
369.15271	1.0
392.14743	3.3
430.08768	0.4
488.17264	0.6
489.14105	3.4
684.69366	0.4
685.23352	1.4
685.49744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2693
Annotation	Javanicoside B
Peak:m/z	Relative Intensity
53.03946	0.7
54.06731	0.7
56.86425	0.7
57.03433	1.3
58.06581	1.2
58.09562	0.7
61.02923	1.3
61.23683	0.8
64.24835	0.8
66.04761	0.7
69.03413	2.2
72.70786	0.7
73.02887	0.9
73.04761	0.8
85.02900	9.5
95.97449	0.8
97.02882	2.4
105.03386	1.0
109.02853	1.4
115.05403	0.8
121.10134	0.9
127.03896	2.0
129.06984	4.6
131.04926	0.8
131.08543	7.0
137.05937	2.4
141.06949	6.0
145.04955	3.3
147.04358	1.2
151.07549	0.9
157.06505	5.1
158.07301	2.1
159.08026	7.4
163.06023	1.2
163.07483	1.3
169.06465	2.6
170.07257	1.1
174.06732	11.2
174.87633	0.8
175.07492	3.3
175.14891	0.7
177.05479	1.0
177.16443	1.6
182.46620	0.8
186.06732	2.9
189.09073	26.8
191.10619	1.4
201.09062	9.1
205.60846	0.9
213.18468	1.6
219.10135	100.0
220.10478	2.7
228.66920	0.9
237.11186	1.4
301.03345	1.3
327.12265	1.6
357.85110	0.7
398.91150	0.8
487.81226	0.9
525.04260	0.9
575.20184	1.0
644.73767	0.9
686.36139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.71607	0.9
65.44837	0.9
69.03416	2.4
69.19997	5.3
72.15960	0.8
81.03414	2.1
81.07084	0.9
85.02900	9.2
87.07001	1.1
91.04003	0.9
91.05447	4.9
93.07022	1.4
95.04933	1.0
95.08574	1.0
96.31510	1.0
97.02898	3.2
99.04501	0.8
100.28223	0.8
100.82243	0.7
110.09673	1.0
115.05440	1.4
119.04950	5.5
119.08600	2.1
123.04453	1.0
125.05952	1.0
127.03904	3.8
128.06238	1.3
129.07001	4.7
131.04883	1.6
131.08553	7.1
133.10141	1.5
137.02325	1.0
137.05975	3.4
141.07002	4.3
145.02832	3.4
145.04973	2.9
147.04382	4.9
157.06410	5.2
158.07237	2.0
159.08022	6.1
163.06093	1.3
163.07547	0.9
166.08585	2.6
169.06470	1.9
170.07285	1.1
174.06746	10.8
175.03900	9.9
175.07501	2.8
177.05432	4.1
186.06773	2.5
189.09096	21.2
191.10632	2.1
201.09077	8.0
207.06502	22.5
219.10136	100.0
220.10556	2.5
237.11015	1.6
265.09561	1.7
281.09039	1.2
339.09766	1.3
369.11853	1.8
474.23965	0.9
480.70999	0.9
492.17569	2.5
523.27197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.5
58.21286	0.3
64.10928	0.2
65.03937	0.7
69.03418	1.5
70.09615	0.2
71.03262	0.4
71.57841	0.2
71.71645	0.2
73.91322	0.2
81.03407	2.0
85.02894	2.0
91.05466	10.9
93.07000	0.7
96.08100	0.4
97.02889	0.8
99.04496	0.3
99.32082	0.3
99.71949	0.3
99.92712	0.3
103.05484	0.3
108.08119	0.4
109.02874	0.8
110.09673	1.1
117.03410	0.3
119.04930	22.2
120.05244	0.4
120.08102	1.0
121.06512	1.1
122.66492	0.3
123.04417	0.6
127.03881	0.7
129.03334	0.7
131.04916	0.4
132.02037	0.8
135.04422	0.3
137.05968	0.6
138.09158	1.6
145.02847	0.7
146.03592	0.6
147.04387	20.4
149.02356	0.5
150.09204	0.3
157.03972	2.2
162.03075	0.4
163.51176	0.3
164.04680	0.5
165.05467	0.3
166.08627	3.1
174.03128	0.6
175.03883	40.3
176.04271	1.2
177.05429	0.4
177.16307	0.4
179.06998	1.7
179.10454	0.3
189.09003	0.3
192.04153	1.4
207.06494	100.0
207.85110	0.2
208.06821	2.8
219.10208	0.9
220.10414	0.8
225.07600	0.9
237.10117	0.5
239.08026	0.3
253.09683	0.5
265.09735	1.0
281.09222	0.4
283.10703	0.4
293.09134	0.8
295.10648	0.6
311.10172	0.6
321.08627	0.4
327.09576	0.5
339.09637	0.9
351.10815	2.1
359.12201	1.0
369.11725	7.3
371.12384	0.5
464.17834	0.6
492.17743	3.1
524.20367	0.7
686.34723	0.7
713.04553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3164
Annotation	Rifamycin G
Peak:m/z	Relative Intensity
50.01601	0.4
51.02391	0.6
53.03941	1.5
55.79424	0.3
56.05048	0.4
58.06602	0.7
69.85740	1.1
71.04993	1.1
74.06080	0.4
75.04474	5.4
75.69910	0.3
77.03924	1.3
79.05434	0.4
85.02917	0.8
85.06565	0.5
87.04461	1.6
88.07602	2.3
91.05484	1.1
94.06558	0.6
95.04954	6.4
101.06010	3.0
105.03380	33.5
105.04536	1.8
105.07037	0.5
106.03726	0.5
107.04959	0.5
108.08115	0.7
110.06053	0.6
114.09161	0.6
117.07027	0.8
120.08081	0.5
121.06509	1.1
121.08920	0.8
122.09702	0.8
123.06807	1.2
124.07610	0.9
126.09143	0.4
129.06998	1.2
131.08598	0.7
132.08098	0.4
134.09680	1.6
136.07616	0.7
138.09102	4.3
139.07561	1.5
140.10728	0.6
145.06514	0.6
146.09665	0.5
146.15001	0.4
147.08029	0.6
147.10445	1.4
148.11179	1.0
150.09122	0.9
152.10701	5.5
153.06940	0.4
154.08615	3.6
158.09708	1.3
159.08119	1.1
160.07634	0.4
160.11229	0.7
161.09644	1.1
162.09135	0.8
164.10645	2.1
165.06970	0.5
167.08511	0.5
171.10468	0.6
172.11147	1.9
176.10724	0.7
177.09071	0.6
178.07768	0.6
178.12198	2.0
179.08617	1.1
182.11742	13.0
184.11232	1.6
185.09723	0.4
186.09271	0.4
186.12816	0.4
187.72813	0.4
188.10756	1.0
190.12321	0.8
191.08539	0.6
193.10210	0.5
196.11295	0.5
198.09332	0.4
200.10684	0.5
202.12315	0.8
203.08556	1.3
203.13039	0.6
204.13884	0.5
205.10249	1.1
207.08104	0.6
209.09596	0.5
214.12296	0.6
215.08540	0.6
216.13808	1.3
219.08192	0.7
220.11124	0.4
221.09642	0.6
222.12817	0.6
231.08002	0.6
232.08896	0.5
233.09837	0.5
234.12917	0.7
238.12192	0.6
245.09636	0.6
248.14273	0.7
248.16620	1.1
250.12340	0.8
252.13850	0.8
260.14325	0.6
261.09000	0.5
262.12259	0.8
263.10675	0.4
264.13696	0.4
268.13467	0.6
275.13434	0.4
276.13870	1.0
278.15524	0.8
282.15158	0.6
288.13904	0.7
292.13303	0.6
292.16818	0.6
294.14847	0.8
303.07544	0.4
304.13342	0.9
306.14890	0.6
308.16125	0.6
310.14621	0.4
320.16388	0.8
324.19669	0.4
336.16049	0.5
338.17538	0.5
340.19287	0.4
352.19019	0.6
356.22327	1.8
384.21616	7.0
385.22345	0.6
400.21170	0.6
410.19754	0.5
412.21127	2.4
416.24179	3.3
434.21774	0.5
444.23764	21.4
445.24121	0.7
458.21619	0.6
506.25455	4.8
534.24945	1.5
566.27374	20.7
567.27850	1.3
594.27106	1.6
626.21216	0.5
626.29492	32.7
627.30005	2.4
686.31622	100.0
687.31921	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	686.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.01858	2.8
55.05500	3.1
55.86465	0.4
57.03429	5.4
57.07073	0.9
59.04989	0.4
61.02915	4.0
67.05490	2.0
69.03062	0.8
69.03419	13.6
69.07052	6.0
69.23602	2.3
71.01336	1.4
71.04986	2.3
73.02904	15.4
77.03923	0.4
79.05483	3.6
81.03410	3.5
81.07044	7.9
83.01347	0.4
83.08604	5.5
85.02892	33.2
85.06550	2.0
87.04445	2.0
91.03946	1.0
91.05479	2.4
93.07033	8.2
95.04939	0.9
95.08590	19.3
97.02877	20.3
97.10170	3.0
99.04425	1.7
99.08074	6.7
103.03903	1.2
105.03371	0.5
105.06989	2.3
107.08572	20.9
109.02857	2.7
109.06514	0.5
109.10123	4.2
111.08073	3.7
113.09639	0.7
115.03912	7.3
119.08540	1.2
121.10125	35.9
122.10528	0.6
123.11688	2.0
125.09590	2.8
125.13182	0.7
127.03893	9.9
133.04951	9.4
133.10115	1.0
135.11671	6.2
137.13254	3.7
139.11145	0.9
145.04938	14.8
146.05225	0.5
147.04324	0.5
149.13211	2.0
150.07669	0.8
157.05077	0.4
159.11707	0.5
163.05992	9.0
169.04878	0.5
175.14815	0.6
177.05447	0.6
177.16354	100.0
178.16733	2.9
189.09000	0.9
189.76442	0.5
195.17413	24.3
196.17732	0.5
205.06961	0.5
213.18457	52.9
214.18797	1.9
217.07118	0.6
219.10150	4.0
220.10390	2.4
223.05959	2.2
241.07037	3.8
259.08087	6.8
277.09061	1.5
277.34613	0.4
283.58423	0.5
295.10181	6.5
309.20813	0.7
325.11227	2.4
327.12201	1.3
327.21640	0.8
339.21683	0.9
345.22665	1.4
357.22543	1.3
368.87177	0.4
375.23813	2.6
435.09198	0.5
518.91602	0.5
555.44196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05502	4.0
57.03203	0.9
57.03433	8.7
57.07077	1.0
58.06579	2.5
59.04990	2.3
61.02915	1.7
67.05489	2.5
69.03420	38.8
69.07069	5.7
69.07382	1.0
70.06580	1.6
71.04980	2.5
72.08157	0.9
73.02921	1.6
73.04773	0.8
79.05473	3.0
81.03403	4.2
81.07056	8.2
83.04994	1.4
83.08605	3.7
84.08151	1.4
85.02898	35.8
85.06532	2.5
86.09641	1.1
87.03961	1.6
87.04459	23.2
91.03929	1.3
91.05470	3.3
93.07031	7.6
94.06509	1.1
95.07335	1.2
95.08592	18.6
96.08102	2.7
97.02882	46.8
97.10142	3.1
98.03200	1.0
99.04456	3.8
99.08073	6.1
103.03895	1.7
103.05437	0.9
105.07011	2.8
107.08580	21.6
108.08085	2.0
109.02879	2.9
109.10114	4.6
110.09654	4.3
111.04450	1.6
111.08057	3.9
113.09660	1.5
115.03918	58.0
119.04936	1.7
119.08556	2.2
119.77554	0.9
120.07195	0.9
120.08072	3.2
121.06503	1.4
121.10136	34.9
123.04401	1.4
123.11667	2.1
125.09603	2.9
127.03870	7.9
133.04950	49.7
135.11688	5.7
136.07600	1.3
137.05908	1.8
137.13228	2.7
138.09126	7.4
139.03873	1.2
145.04941	11.2
147.04369	1.9
149.13223	2.5
150.09164	1.1
151.03876	0.9
151.07494	1.2
163.05969	4.7
163.07393	1.8
163.11043	1.1
166.08617	12.6
169.04948	1.8
175.03922	1.4
175.14789	1.4
177.05518	1.5
177.09103	4.2
177.16362	100.0
178.16705	2.8
187.06026	1.2
195.17427	21.9
206.04436	3.6
207.06451	4.5
213.18460	51.2
214.18768	1.7
221.11800	1.2
237.10231	2.3
241.07146	2.2
241.09486	1.3
251.12753	1.0
253.09744	3.0
259.08154	8.6
265.09723	3.4
277.09171	3.6
281.09180	2.3
283.10855	2.4
291.19604	1.4
293.09149	3.5
295.10275	13.5
311.10144	2.3
321.08701	1.5
325.11142	3.9
327.09766	3.7
327.25275	1.4
338.71475	1.1
339.09674	5.2
345.22531	2.0
359.12360	6.9
371.12366	3.6
375.23645	2.5
438.19153	0.9
446.17261	1.6
464.18088	3.6
492.17630	11.8
493.17853	1.3
506.19064	1.2
524.20563	4.5
654.24640	1.6
662.11993	1.1
686.34851	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	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01878	0.6
55.05501	13.2
57.03428	12.6
57.03657	0.3
57.07064	2.2
57.30061	0.5
59.04988	4.2
61.02921	5.1
64.64876	0.5
65.03938	2.4
67.05492	100.0
68.05833	1.1
69.03409	1.5
69.07059	6.7
71.04975	3.6
71.08627	0.6
73.02914	1.4
76.94959	0.5
79.05478	19.1
81.03407	0.7
81.07043	40.6
83.04983	1.2
83.08604	8.6
85.02881	4.5
85.06528	2.3
91.03938	2.1
91.05461	13.3
93.07027	26.9
95.04963	2.0
95.08590	28.7
97.02892	2.7
97.06509	1.2
97.10134	2.3
99.08092	0.7
105.04480	1.1
105.07010	6.6
107.08575	13.3
109.06522	1.4
109.10136	85.8
110.10455	1.0
111.08075	3.3
113.09612	0.5
117.06969	3.3
119.08565	10.8
121.10114	11.5
123.08060	1.0
123.11683	2.8
125.09598	1.2
127.03933	0.6
127.11160	1.0
131.08527	5.2
133.10068	4.6
133.35565	0.5
135.11673	7.7
136.11989	0.6
137.09557	3.7
137.13248	1.2
145.10080	3.5
147.11681	3.4
149.13249	4.1
155.10640	7.2
159.11632	2.8
161.13188	2.8
163.14783	2.9
173.11728	19.4
173.13234	2.8
175.14771	1.5
177.16380	0.8
187.14786	1.4
189.11211	0.8
227.12735	4.7
229.14307	83.0
230.14687	1.9
233.22615	0.6
243.21063	3.9
261.22098	14.4
279.23050	0.5
317.24814	2.3
335.25742	55.7
336.26074	2.4
379.30020	0.5
397.30844	1.2
415.32098	1.2
433.33167	0.6
471.34338	1.0
489.35672	32.1
490.35614	2.1
507.36484	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77051	0.8
53.03931	2.2
55.01871	1.5
55.05503	14.2
57.03431	13.7
57.07059	2.0
59.04984	4.3
61.02916	5.2
63.89185	0.7
65.03922	2.5
67.05495	100.0
68.08520	0.8
68.94907	0.7
69.03421	2.2
69.07062	8.7
71.04978	2.7
73.02911	1.7
77.03903	1.0
79.05033	1.7
79.05479	23.2
81.07046	37.2
83.08614	6.6
85.02883	4.3
85.06527	2.5
91.03913	1.7
91.05461	15.7
91.06492	0.7
91.20513	0.7
93.07031	29.3
95.04944	3.2
95.08594	27.9
97.02866	2.3
97.06469	1.0
97.10160	1.6
97.53111	0.8
105.04511	1.6
105.07021	7.6
107.08579	14.7
109.06469	0.9
109.10136	72.8
111.08059	3.2
117.06993	3.1
119.08553	11.5
121.10121	11.4
123.11668	2.7
125.09642	1.1
131.08560	5.4
133.10112	4.2
135.11681	7.4
137.09602	3.0
137.13261	1.3
143.08575	1.0
145.10069	4.5
147.11667	3.7
149.13235	3.5
155.10663	5.7
159.11674	2.9
161.13229	2.9
163.14792	2.7
173.11720	15.1
173.13211	3.2
175.14885	1.0
187.14822	1.4
201.16359	1.0
208.03537	0.8
225.96185	0.8
227.12766	3.1
229.14316	76.1
230.14670	1.7
233.22583	1.1
243.20969	4.4
251.95297	0.9
255.78943	0.9
261.22092	15.5
281.21051	0.9
317.15683	0.8
317.24808	2.7
335.25748	66.8
336.26025	1.9
395.78604	1.0
471.34790	0.9
489.35678	50.2
490.35919	2.8
506.82205	0.9
507.36447	2.3
647.04358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01287	4.6
55.01871	5.3
55.05494	22.1
55.54149	4.8
57.03419	15.1
60.03003	5.2
61.02902	6.8
67.05495	100.0
69.07059	23.9
73.24716	4.7
75.38160	4.1
79.05481	48.4
81.07052	56.3
83.04946	4.7
83.08597	14.1
86.09644	5.2
91.05399	41.6
93.07022	60.8
95.04955	9.9
95.08598	69.2
97.10212	5.8
105.03358	6.6
105.04458	5.8
105.07012	28.7
107.08566	27.7
108.94083	4.3
109.06450	8.8
109.10133	44.7
114.56974	4.8
117.07007	10.4
119.08569	35.8
121.10100	23.2
131.08569	20.7
133.10071	23.9
135.11665	9.7
137.09581	42.6
143.08502	5.7
145.10077	18.7
147.08017	5.3
147.11674	11.6
155.08563	6.7
157.10124	7.4
159.11650	10.5
161.13258	5.7
163.14787	7.6
167.05557	9.4
169.10262	4.7
173.11795	11.2
173.13269	13.6
181.62041	4.9
187.14760	5.7
209.56047	4.8
211.13324	23.5
213.14713	5.6
229.14291	35.4
238.70198	4.7
257.19485	4.9
258.21469	5.4
259.20599	7.2
291.19598	6.4
307.22559	5.9
309.09674	6.2
315.22708	5.7
315.72610	4.9
323.11050	5.7
324.08594	7.3
335.25766	66.7
338.10135	11.4
338.13831	5.0
339.10614	11.2
339.14346	6.6
353.16113	5.9
354.13168	16.1
355.13672	21.8
359.02469	6.4
368.14853	53.5
369.15237	42.7
377.26770	6.6
379.29700	6.4
391.28162	5.6
397.30981	19.4
471.34460	17.1
475.16309	5.1
476.16678	18.9
489.16962	14.1
489.35730	53.7
491.25632	6.2
668.12445	5.7
671.21509	8.0
686.23956	31.7
686.44617	36.3
687.25568	7.5
687.36578	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	686.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11584	5.6
55.01851	7.3
55.05498	26.7
55.45240	5.1
57.03413	11.1
59.18265	5.1
61.02922	9.1
63.54647	5.7
67.05501	74.2
69.07049	28.7
71.04945	6.6
71.24532	5.6
73.04747	11.1
79.05482	75.4
81.07043	100.0
83.04972	10.5
83.08588	17.6
91.05468	28.4
93.07027	58.2
95.04942	16.4
95.08604	63.6
97.10150	7.4
105.07018	62.6
107.08572	24.4
109.06501	6.2
109.10149	35.8
117.07005	21.8
119.08554	39.2
121.10109	41.8
129.06985	10.4
131.08542	19.4
133.10103	35.3
135.08101	8.2
135.11671	15.7
145.10098	22.2
147.11655	29.7
149.13231	13.7
155.22141	6.7
157.10126	9.6
159.11629	10.9
165.12762	11.0
171.11658	11.0
173.13257	15.0
177.12584	6.7
180.39188	6.0
187.14767	8.9
194.04813	8.2
199.14879	7.2
213.16312	9.6
225.16391	8.2
231.17369	7.1
233.18983	9.0
239.16443	20.2
261.97794	7.0
281.22522	7.6
284.29492	9.4
299.23648	7.0
307.22610	60.5
335.25409	8.3
359.28790	5.6
379.29764	10.2
397.30994	24.6
471.34555	36.4
489.35727	82.0
686.37109	8.2
702.95856	7.1
706.73236	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	687.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
58.03719	0.3
67.05490	1.1
67.61105	0.3
69.03421	0.3
69.20283	1.4
71.85126	0.3
79.05467	1.0
81.07053	1.7
83.08617	0.5
91.05437	0.4
92.55379	0.3
93.07025	0.9
95.04960	0.5
95.08623	0.5
100.11225	0.5
105.07069	0.6
107.08591	0.6
109.06514	0.5
109.10130	0.3
110.10493	0.3
114.05329	0.3
119.08580	0.5
121.85928	0.4
145.10112	0.4
159.11629	0.4
167.08531	0.3
194.07167	0.3
195.07977	0.5
211.07487	0.4
223.07474	0.4
225.09135	0.4
237.05472	1.1
238.06172	0.5
239.07002	2.2
241.08595	0.8
249.60652	0.3
251.06966	0.9
252.07890	0.4
252.10074	1.6
253.08560	2.8
254.05801	0.9
264.07275	0.3
264.09991	0.7
265.08496	0.4
266.05618	0.3
266.09439	0.5
267.06522	0.6
268.07248	1.4
269.07990	2.3
271.50925	0.3
279.12543	0.9
280.09714	1.5
281.07950	9.6
281.10492	1.0
282.08640	0.8
282.11404	0.7
283.09589	11.2
284.10120	0.5
292.09625	1.2
294.11197	8.3
295.08484	0.6
296.12787	13.2
297.07523	7.0
297.12924	0.6
298.08078	0.6
308.09079	0.6
308.12695	0.8
309.09866	1.0
310.10657	2.4
311.09045	2.1
311.12411	0.9
312.09888	4.3
324.12228	8.4
325.12994	7.6
327.12207	33.0
328.12460	1.2
340.15381	100.0
341.12244	0.5
341.15790	3.2
346.31775	0.3
363.22119	0.4
384.14371	12.9
385.14398	0.5
466.30777	0.4
669.20367	0.7
687.40894	1.4
687.53534	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48454	0.6
53.03930	1.3
55.01866	1.8
55.05497	5.5
57.03432	2.3
58.06595	0.9
61.02918	7.3
67.05151	1.2
67.05495	11.4
69.03423	2.7
69.07059	2.9
69.64950	1.4
73.02911	4.9
79.05478	11.7
81.03422	2.8
81.07048	11.2
83.04982	1.5
83.08620	1.7
85.02894	5.6
86.09761	0.7
91.03943	3.1
91.05457	10.5
93.07028	8.5
95.04940	2.6
95.08590	5.0
97.02878	5.3
97.06499	1.0
97.10132	1.1
99.04449	1.2
101.02359	2.0
105.07014	6.4
107.04951	2.4
107.08591	4.0
109.02888	1.8
109.06522	2.8
109.10119	3.4
117.06982	3.3
119.08574	3.2
121.06505	0.8
121.10148	2.8
125.09608	1.6
127.03944	0.7
128.71927	0.6
131.08574	2.2
133.10114	8.2
133.11055	1.2
135.08061	2.4
135.11717	1.9
138.14754	0.7
143.08537	1.2
145.10135	1.5
146.73441	0.7
147.11688	1.0
157.10086	0.7
159.08076	0.8
159.11711	0.9
161.09639	1.6
161.13252	1.3
179.10602	1.1
185.04280	0.9
189.11208	0.9
193.12280	1.6
217.61209	0.7
219.09877	4.7
227.12816	1.2
229.14322	1.5
243.08414	2.1
243.17516	1.1
261.18494	0.9
271.17014	1.7
275.20078	1.3
289.17889	5.4
303.06812	1.7
307.22702	1.1
335.25684	1.1
340.15201	0.7
363.21558	3.3
368.14896	1.3
369.15237	2.5
370.15558	1.7
381.22690	2.8
437.17825	2.4
477.16681	0.9
484.52951	0.8
491.25961	10.9
627.20300	1.0
669.39813	2.6
673.25177	2.0
673.92810	0.8
687.36853	100.0
688.26959	0.9
688.37311	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	687.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.2
55.05745	2.5
57.07071	13.0
60.57943	2.2
65.03915	2.0
67.05492	18.0
69.03413	6.0
69.07057	56.0
69.18502	12.0
69.18869	4.4
70.06575	2.3
71.04974	3.1
71.08601	3.1
73.06522	3.3
76.97574	2.2
79.05470	10.7
81.07044	100.0
83.08610	22.4
85.02886	9.4
85.06533	9.2
91.05444	5.1
93.07024	26.6
95.04927	2.0
95.08592	71.5
97.02902	4.3
97.06509	6.7
97.10181	6.4
99.08081	7.7
100.37380	2.2
105.07001	7.1
107.08574	29.2
109.10153	30.5
111.08062	10.0
111.11697	18.1
112.07632	2.9
115.03911	2.0
117.35438	2.3
119.08560	4.2
121.10132	17.1
123.11708	33.9
125.09576	3.0
125.13231	4.2
127.11175	8.0
135.11662	14.1
137.13232	34.7
147.11661	4.0
149.13234	30.9
151.14809	4.0
153.12735	24.4
155.14282	7.7
161.13217	2.2
163.14815	8.7
167.14272	5.4
171.13782	9.8
173.15349	8.2
177.16251	3.0
179.03101	3.9
185.15356	2.7
239.05162	3.8
239.23740	3.8
273.25632	5.8
279.26913	15.5
291.26773	29.6
297.27817	7.0
308.02972	2.6
309.27847	60.4
315.28641	11.3
327.28925	15.8
345.29947	27.5
388.63565	2.4
471.09061	3.9
687.14618	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	688.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.5
51.02366	1.4
53.03940	1.7
55.01857	0.7
56.05025	1.7
56.06364	0.3
58.06335	0.5
58.06594	6.7
59.04978	0.2
67.05503	0.3
68.27897	0.3
69.66744	1.1
71.04977	0.8
72.08139	0.8
75.04122	0.3
75.04478	2.9
77.03919	2.5
79.05476	1.2
81.03397	0.5
81.07035	0.5
84.08129	0.5
85.02885	1.2
87.04493	0.4
88.07619	0.6
91.05471	2.6
93.05772	0.3
93.07027	0.3
94.06583	0.4
95.04957	10.5
96.08125	0.3
97.06543	0.5
98.09650	0.3
102.09164	0.3
103.05496	0.6
105.03380	66.7
105.04510	3.5
105.07001	1.1
106.03695	1.5
106.06555	0.4
107.04948	0.9
108.08107	1.8
109.06490	1.2
110.09668	0.3
111.08065	2.8
111.08757	0.5
114.09135	0.2
115.05432	0.7
117.07011	1.5
118.06547	0.5
119.04951	0.4
119.08577	0.4
121.06487	1.2
121.08882	0.5
122.09641	1.6
123.04446	0.5
124.07584	0.5
128.06219	0.8
129.07001	3.5
130.06456	0.4
131.04927	0.4
131.07556	0.4
131.08572	2.5
132.08098	0.5
133.02803	0.5
134.09641	0.8
135.04454	0.3
135.08015	0.5
137.05919	1.3
138.09132	0.7
140.55836	0.3
141.06972	1.7
141.09076	0.5
143.08543	0.5
144.08018	0.3
145.06473	0.5
145.08928	0.3
145.10156	0.3
146.03587	0.5
146.05986	0.4
146.09656	0.7
147.04382	0.9
147.08043	0.8
147.10435	0.5
149.05861	0.4
152.10692	4.3
153.06967	0.7
155.08551	0.7
158.09666	1.2
159.08012	1.0
160.11209	0.9
161.06001	0.3
161.09601	0.9
162.09117	0.7
164.10689	0.6
165.05545	0.5
165.06853	1.4
166.07718	0.5
167.08530	1.1
169.06467	0.6
171.08022	0.8
171.10329	0.6
173.11902	0.4
174.09152	4.4
174.12770	0.3
175.07562	0.3
176.10760	0.4
178.07719	1.3
178.12267	1.1
179.08482	1.7
181.10074	0.6
182.11790	0.4
183.08115	0.7
183.12004	0.4
184.11197	2.1
186.12730	1.7
188.06993	2.1
190.07802	0.9
190.12253	0.9
191.08562	1.5
192.09320	0.8
193.08607	0.3
193.10091	1.3
195.08067	0.7
196.11221	0.6
197.06046	0.4
197.09616	0.5
197.11833	0.4
198.12695	0.6
202.07872	1.0
202.12347	0.6
203.08476	1.4
204.09340	0.8
204.13795	0.3
205.10115	2.4
207.08034	0.8
207.11769	0.6
208.11264	0.4
209.09610	0.8
210.12819	0.4
212.10672	0.3
214.12224	0.4
215.08626	0.7
216.13861	0.6
217.10118	0.9
218.07217	0.7
218.15385	5.2
219.08035	0.9
220.08794	0.4
221.09587	1.0
222.12863	0.4
223.11194	0.4
228.13818	0.4
231.07883	0.4
232.08867	0.6
233.09615	2.1
234.10541	0.3
234.12747	0.5
235.07469	0.5
235.11186	0.9
237.12613	0.3
238.12206	0.4
243.08104	0.4
245.09639	0.9
247.11241	0.4
248.14362	0.3
249.09012	0.5
250.09956	0.4
251.10625	0.7
261.09103	1.2
262.15503	0.3
263.10715	0.9
265.12234	0.6
273.09207	0.5
276.13824	0.5
278.15182	0.6
279.10150	0.4
282.14749	0.3
288.13644	0.4
290.15448	1.0
293.11697	0.9
294.00845	0.3
294.15024	0.3
294.18423	0.5
296.16406	0.6
305.14081	0.6
306.14960	1.0
314.17300	0.4
318.14966	0.9
319.88382	0.3
322.18054	0.8
326.21246	0.6
350.17453	1.4
354.20584	3.4
382.20184	0.5
385.40121	0.3
386.23254	1.3
410.19562	3.1
414.22723	1.3
440.18506	0.4
444.21555	0.5
446.19653	0.4
446.25281	2.3
472.21274	0.5
476.24185	2.8
478.22284	0.6
490.22501	0.3
504.23874	2.7
508.26767	1.0
510.24741	0.7
536.26428	5.4
564.26276	0.5
568.28876	4.7
569.29230	0.6
596.28546	3.1
601.41058	0.4
628.31012	14.1
629.31488	1.0
688.33130	100.0
689.33600	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	688.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03935	1.2
55.01858	0.9
55.05490	0.4
56.05035	2.3
57.80275	0.4
58.06597	6.6
61.21379	0.4
63.84003	0.4
67.05497	1.1
69.62357	1.6
71.04981	0.5
72.08147	1.4
77.03918	1.1
79.05478	1.4
80.04995	1.5
81.03397	0.6
81.07055	0.9
82.06561	0.4
84.08139	1.3
85.06485	0.4
91.05460	3.1
91.90709	0.4
93.07043	1.1
94.06548	1.0
95.04952	7.9
96.08103	0.7
96.32195	0.4
98.09650	0.5
100.38812	0.4
102.09184	0.8
105.03374	45.2
105.04517	3.2
105.06994	2.3
106.03727	0.7
107.04939	3.3
108.08102	6.4
110.09686	0.6
114.93828	0.4
115.03104	0.4
115.05459	0.7
117.07024	1.4
118.11237	0.4
119.04865	0.4
119.08559	0.8
121.06553	0.9
121.08893	1.5
122.09650	12.0
124.11237	1.3
128.06219	1.7
129.06989	3.1
131.08559	1.5
133.10118	0.5
135.08008	0.4
138.09103	0.4
141.06958	2.0
142.07825	0.8
143.08519	2.0
145.06445	0.4
145.10138	0.5
153.06998	1.2
154.07791	0.8
154.12175	0.8
155.08554	2.7
157.06499	0.6
157.10146	0.7
158.09663	0.9
159.07948	0.5
160.11238	0.7
165.07027	1.2
166.07785	0.7
167.08571	2.7
168.09311	0.6
169.10149	1.1
174.12830	0.6
178.07796	0.9
179.08543	1.6
181.10194	1.4
184.11208	1.0
185.11923	0.5
186.12799	1.4
187.11372	0.5
187.13568	0.5
188.14374	0.6
191.08569	0.7
193.10158	1.6
197.09776	0.5
198.12820	0.8
199.13548	0.9
200.14343	0.8
203.08560	1.3
205.10179	1.2
206.10887	0.5
207.07951	0.5
207.11723	0.9
212.14273	0.6
215.08641	0.9
216.09393	0.5
217.10042	0.8
218.11093	0.5
221.09578	0.6
221.13158	0.6
231.11723	0.8
233.13239	1.1
235.11176	0.6
242.11766	0.8
244.13191	1.0
245.13290	0.5
249.12724	0.9
261.12802	0.8
263.14294	0.4
278.15482	0.6
288.17508	0.9
292.16864	0.5
306.18561	2.6
353.82654	0.5
428.22156	4.8
429.22794	0.5
446.23383	0.5
460.24695	3.0
491.12183	0.4
517.91974	0.4
548.29852	0.5
550.25818	6.4
551.25629	0.4
564.27173	0.4
568.26819	0.7
582.28522	5.4
600.29480	3.4
638.30621	0.8
670.33453	3.5
688.34637	100.0
689.34937	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	688.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01861	6.2
55.05504	11.1
57.03429	8.9
57.07061	0.9
59.04996	2.2
61.02916	3.1
67.05496	8.7
67.05853	0.6
69.03407	1.5
69.07051	2.7
69.63033	1.1
71.01327	0.9
71.04987	2.8
73.02903	1.0
79.05482	13.6
80.44520	0.4
81.02956	0.5
81.03410	8.2
81.07045	12.3
83.01328	8.4
83.04972	8.2
83.08613	9.5
85.02893	5.6
85.06509	0.8
87.76552	0.3
91.03931	1.3
91.05466	8.7
93.07030	18.4
95.04402	0.6
95.04958	6.7
95.08588	5.0
97.02882	3.8
97.06525	3.5
97.10162	1.2
99.04467	2.4
103.05464	0.6
105.03370	1.1
105.04520	0.8
105.06344	0.4
105.07022	6.0
107.04945	6.2
107.08579	9.9
109.06506	6.2
109.10135	1.6
111.04440	2.1
111.08062	1.0
113.05995	0.4
115.05458	0.4
117.06999	5.7
119.08566	7.2
121.06473	2.5
121.10129	6.5
123.04460	0.6
123.08051	5.9
125.05949	1.3
125.09605	0.8
129.06982	1.0
130.07716	0.9
131.08551	3.1
133.10107	1.4
135.08047	1.8
135.11679	8.4
137.09584	1.3
139.07542	0.6
143.08574	0.6
145.06493	0.8
145.10103	12.9
147.08038	1.7
149.05952	0.4
151.11111	0.4
153.12743	1.8
155.08527	0.7
163.11159	19.7
164.11414	0.5
173.09586	3.4
181.12204	3.4
191.10611	2.2
209.11667	5.9
223.82518	0.4
227.12761	3.5
265.14359	0.6
283.15353	100.0
284.15640	3.2
406.09412	0.4
473.25485	0.6
476.82706	0.4
491.26331	43.7
492.26666	2.1
688.32263	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	688.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.8
55.01865	3.9
55.05505	9.7
57.03427	6.9
57.07040	1.1
59.04959	1.4
61.02880	1.6
61.03173	0.4
61.77411	0.5
65.03899	0.8
67.05495	8.9
69.03390	1.7
69.07055	3.2
69.12930	1.8
69.13339	1.0
71.01315	0.8
71.04990	2.6
73.02876	0.9
73.61863	0.4
73.75434	0.4
77.03874	0.8
78.40709	0.5
79.05481	17.3
81.03402	5.5
81.07043	14.8
83.00941	0.5
83.01323	5.0
83.04540	0.5
83.04969	7.5
83.08602	8.3
85.02881	3.0
85.06481	0.6
86.09676	1.1
91.05459	7.8
93.07033	24.4
95.04391	0.7
95.04943	6.8
95.08589	17.3
97.02885	3.6
97.06510	3.9
97.10117	0.8
98.22658	0.7
99.04443	3.2
99.08044	0.7
103.05425	0.5
105.03379	2.5
105.04436	0.6
105.07018	7.1
107.04236	0.5
107.04939	7.7
107.08576	16.2
109.06515	4.8
109.10125	1.5
111.04373	2.1
111.08034	1.9
113.05914	0.6
117.06271	0.6
117.06992	7.4
119.08571	8.7
121.06513	4.1
121.10118	9.7
123.08038	4.6
125.05944	1.9
125.09567	0.5
129.06993	0.9
130.07744	1.5
131.08498	2.1
133.10094	1.6
135.08006	1.6
135.11670	27.8
136.11929	0.5
137.09608	0.6
139.07544	0.9
143.08556	1.1
145.06488	0.6
145.08963	1.0
145.10101	19.2
146.10411	0.5
146.60182	0.5
147.08040	1.2
149.09540	0.7
153.12682	1.4
155.08546	1.0
163.11154	39.5
164.11458	0.6
173.09644	2.5
181.12213	5.7
191.10555	1.3
209.11697	4.4
227.12733	32.8
283.15347	100.0
284.15668	3.0
473.25543	0.6
477.29190	0.5
491.26318	74.8
492.26526	3.4
688.33289	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	688.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
57.07069	33.4
59.04991	1.0
62.69537	0.6
67.05505	5.6
68.05827	1.1
69.07064	4.2
69.48999	2.7
71.04973	0.9
71.08623	27.3
71.19912	0.5
73.02892	0.7
73.06548	9.4
79.05488	3.3
81.03403	1.0
81.07041	4.9
83.04970	0.8
83.08598	3.4
85.02895	0.6
85.10172	18.4
87.04459	9.7
89.06020	100.0
90.06342	0.9
91.05458	2.1
91.07590	0.7
93.07030	2.4
95.04974	1.2
95.08592	2.7
97.02879	0.8
97.10152	5.3
99.11716	3.6
105.07011	2.0
107.07056	2.9
107.08588	1.5
109.10144	3.4
110.10448	0.7
111.11696	3.2
113.13266	1.8
117.09118	9.0
119.08554	1.1
121.10117	0.9
125.13332	0.6
127.14835	1.1
130.08640	1.0
131.07025	2.6
131.08556	0.8
133.08589	60.1
134.08986	0.8
135.08037	0.6
135.10141	0.8
135.11710	0.8
142.06456	0.5
145.10165	0.7
147.11676	0.8
149.09502	0.7
161.11725	2.5
169.19504	4.7
175.09637	1.9
177.11195	23.3
179.10751	0.6
193.12218	0.6
213.22083	2.9
221.13818	4.1
223.15306	0.7
229.14336	1.1
230.14755	0.9
239.15009	0.9
257.24710	8.1
265.16537	1.4
283.17636	1.4
301.27304	5.5
327.20023	0.8
335.26208	0.9
336.26321	1.0
337.26563	1.2
425.69897	0.7
464.88931	0.6
491.36404	1.4
503.30276	2.5
671.49640	3.1
688.52441	1.3
689.38947	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05498	3.1
57.03430	1.6
57.24453	1.1
61.02924	4.8
64.34171	0.9
67.05489	7.6
68.60172	1.0
69.03419	2.2
69.07063	1.7
71.04982	1.2
71.43688	1.1
73.02912	1.5
79.05489	9.1
81.03410	4.0
81.07043	10.0
83.04983	2.1
83.08620	1.5
85.02911	3.3
91.03934	1.6
91.05463	6.9
93.07022	8.3
95.04949	5.1
95.08610	4.6
96.18952	1.1
97.02906	3.0
101.02359	1.1
101.06067	1.1
105.03313	1.3
105.06997	5.7
107.08599	3.0
109.06502	2.2
117.07021	1.8
119.08582	4.7
121.10172	1.8
123.08068	1.4
129.07010	1.8
133.10132	2.8
145.10133	2.8
147.11702	3.9
171.11717	1.7
190.77147	1.2
243.08406	3.5
247.13089	2.2
253.14230	1.3
291.19516	1.2
303.15460	1.2
381.22284	1.4
424.36603	1.1
445.27264	1.2
465.20874	16.4
662.59113	1.3
688.53735	1.6
689.34937	100.0
690.35767	7.0
704.10284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01860	0.7
55.05495	2.5
57.03426	2.1
61.02914	5.9
65.03922	0.5
67.05150	0.5
67.05492	6.8
69.03415	3.2
69.07046	1.1
70.81291	0.3
71.01343	0.6
71.04979	0.8
73.02901	3.9
79.05478	7.4
81.03399	2.7
81.07041	7.2
83.04959	1.3
83.08607	1.3
85.02885	5.1
85.06541	0.5
87.04447	0.4
89.06001	0.3
91.03932	3.8
91.05465	3.4
93.07027	7.2
95.04943	1.7
95.08588	2.9
97.02868	5.0
97.06515	1.4
97.10167	0.9
99.04462	1.0
101.02357	1.8
103.03947	0.5
105.04492	0.7
105.07009	1.9
107.04922	0.7
107.08571	3.1
109.02821	0.7
109.06513	2.2
109.10128	1.8
111.04454	0.4
111.08044	0.3
115.03895	0.3
117.07004	0.9
118.87156	0.3
119.08549	2.1
121.06528	0.4
121.10111	2.8
123.08060	0.4
123.11710	0.6
125.09627	0.7
127.03884	1.5
129.07021	0.6
131.08562	1.1
133.10143	1.3
135.08058	0.6
135.11678	3.1
137.09633	0.4
143.08560	0.4
145.10092	1.6
147.11644	0.6
149.09567	0.4
149.13264	0.5
157.10144	0.3
159.11638	0.7
161.09666	0.3
163.11128	0.5
181.12225	0.4
185.04164	0.5
193.12244	0.4
203.05234	0.4
211.13287	0.4
212.41414	0.3
221.11530	1.5
222.34270	0.3
227.12747	0.5
233.18909	0.4
243.08310	2.0
249.46851	0.3
259.15488	0.4
273.18381	0.5
289.17892	0.4
291.19440	0.8
307.22571	1.2
347.22034	0.6
399.19321	0.4
439.19290	4.6
491.26077	8.9
492.26648	0.4
492.34012	0.3
527.33643	0.4
689.38525	100.0
690.38953	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	689.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01863	11.3
55.05502	19.4
56.10700	1.1
57.03434	5.5
65.03929	2.8
67.05494	30.2
68.05843	1.5
69.03409	4.0
69.07056	15.0
71.04982	4.1
79.05479	48.0
81.03392	8.1
81.07040	100.0
83.04960	11.7
83.08611	11.3
83.19310	1.2
85.02911	4.5
85.06516	1.7
91.05464	30.2
93.07030	27.4
93.93940	1.3
95.04945	19.1
95.08585	14.0
97.02901	2.6
97.06535	5.5
97.10149	9.7
99.00782	1.7
103.05471	1.9
105.04503	1.4
105.07011	21.9
107.04935	8.8
107.08572	20.1
109.02857	2.2
109.06504	44.8
109.10131	10.6
111.04417	10.4
111.08077	4.5
115.05444	3.2
117.06995	17.7
119.04974	2.3
119.05962	1.1
119.08562	29.2
121.02834	1.3
121.06472	10.7
121.10105	9.0
123.04440	3.3
123.08082	5.9
125.09576	7.6
128.06264	2.2
129.06984	7.1
131.08556	14.9
133.06487	4.0
133.10109	11.4
135.08043	10.9
135.11668	5.4
137.06003	1.3
137.09595	3.9
139.07625	1.5
141.06917	1.8
143.08542	6.7
145.06483	3.8
145.10123	16.1
147.08026	11.2
147.11676	3.6
149.09619	6.4
151.11180	1.9
153.12718	2.7
155.08578	1.4
157.10097	4.3
159.08049	4.3
159.11720	4.8
161.09589	11.7
163.07520	2.8
163.11150	8.0
165.09108	3.2
169.10077	2.5
171.11647	2.7
173.09641	1.9
173.13234	1.7
175.11250	2.9
179.10675	2.4
181.12271	3.6
187.11134	2.3
189.11188	7.2
189.12663	1.7
191.10632	3.5
193.12186	6.7
213.12694	1.7
223.13210	3.0
227.12753	4.7
227.17871	1.7
245.19131	2.0
249.14816	3.9
255.17368	3.2
271.16861	2.7
273.18460	30.3
289.17957	9.5
291.19489	97.3
292.19678	2.2
307.18939	2.0
309.20569	2.4
347.22189	7.8
363.21655	3.2
365.23184	14.0
381.22665	24.2
390.91605	1.5
618.00708	1.4
653.39954	2.3
671.41565	18.5
689.40942	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	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01863	14.3
55.05505	36.7
57.03433	6.6
57.07075	1.2
59.05000	1.6
64.85437	1.0
65.03925	3.8
67.05494	40.7
69.03422	4.2
69.06699	2.0
69.07054	21.9
71.04969	3.0
73.96267	1.0
77.03913	2.1
79.05481	54.9
81.03400	12.0
81.07043	100.0
82.07381	1.2
83.04968	22.3
83.08599	17.2
83.19099	1.0
85.02889	5.8
85.06537	3.5
91.05466	31.8
93.06436	1.7
93.07033	35.3
95.04957	27.5
95.08595	17.8
97.02874	1.8
97.06521	7.2
97.10152	20.9
99.00841	1.5
99.04435	4.6
99.08080	2.3
103.05461	2.4
105.03390	1.9
105.04495	3.0
105.07012	24.6
107.04926	10.0
107.08577	24.9
109.02848	5.5
109.06506	14.5
109.10152	13.1
111.04431	20.9
111.08064	8.2
115.05428	2.5
117.07006	18.0
119.04961	1.4
119.08558	26.0
119.09404	1.6
121.06489	12.1
121.10116	12.8
123.04398	3.6
123.08051	25.8
125.05975	2.2
125.09605	19.2
127.03896	1.6
127.11433	1.0
128.06216	1.2
129.06944	6.0
131.04881	1.3
131.08545	14.5
133.06467	3.8
133.10106	16.9
135.08035	14.0
135.11693	11.9
137.05992	1.1
137.09592	7.1
139.07544	1.9
139.11148	1.8
141.06917	1.6
141.71957	1.0
143.08563	7.8
145.06439	5.4
145.10097	18.4
146.07224	1.1
147.08049	9.8
147.11653	5.3
149.09583	7.4
149.13243	2.1
151.11150	3.3
153.09087	4.5
153.12764	8.7
155.08560	3.1
155.13068	1.1
157.10126	5.3
158.07246	1.3
159.08032	4.3
159.11653	5.3
161.09586	10.3
161.13258	1.9
163.07527	4.6
163.11147	16.2
165.09106	4.9
169.10094	2.9
169.12157	1.2
171.07988	1.6
171.10141	3.1
171.11705	3.6
173.08336	1.0
173.09549	5.9
173.11794	1.0
175.11191	3.3
177.12729	2.4
179.10651	4.0
181.12186	9.1
183.11610	2.1
185.09497	1.2
185.13263	1.9
187.11160	2.0
187.14854	1.3
189.09377	2.2
189.11195	21.6
189.12708	1.7
191.10638	10.0
193.12228	13.3
199.11119	1.2
205.12196	1.1
208.55734	1.0
209.11685	2.1
211.13165	1.9
223.13232	8.4
227.12708	18.7
227.17877	2.2
243.17506	1.8
245.19133	1.6
249.14819	3.6
255.17561	2.6
261.18509	4.2
264.15335	1.0
271.16953	5.5
273.18451	27.4
283.15335	4.6
289.17953	19.3
290.18417	1.1
291.19489	69.2
292.19864	2.6
303.19247	1.1
307.19037	6.5
309.20523	3.9
347.22092	4.2
363.21652	5.0
365.23212	20.1
381.22623	23.6
492.30075	1.4
493.29813	1.2
529.31116	2.1
538.79388	1.2
543.32690	1.4
551.31873	1.3
573.34106	1.6
635.39490	1.5
653.39893	4.6
671.41364	18.6
672.41180	1.5
689.32068	1.3
689.42584	11.7
690.30365	3.2
690.41949	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.00300	1.0
53.03935	3.1
55.01866	8.8
55.05505	21.0
57.03433	4.3
57.07046	0.9
59.04994	0.9
65.03931	2.6
66.04720	1.1
67.05495	24.1
67.05859	1.2
69.03424	3.2
69.07059	13.2
71.04987	2.8
79.05483	47.3
81.03413	5.9
81.07045	100.0
82.07375	0.8
83.04972	10.3
83.08608	10.4
85.02888	4.7
85.06525	1.8
91.05466	26.7
93.07034	23.8
95.01289	0.7
95.04955	19.4
95.08599	13.4
97.02872	1.6
97.06513	5.2
97.10162	9.8
99.00798	1.0
99.04449	1.7
99.08098	1.4
103.05468	1.2
105.03368	1.8
105.04499	2.0
105.07014	19.4
105.07728	1.1
107.04945	10.6
107.08577	14.7
109.02863	2.2
109.06503	43.0
109.10147	6.7
111.04430	10.8
111.08064	5.2
115.05451	2.6
116.06222	0.9
117.07001	14.6
119.04939	1.5
119.08565	27.9
121.06493	9.5
121.10134	8.5
121.71679	0.6
123.04401	2.1
123.08051	6.8
123.11622	0.8
125.09616	8.6
128.06204	2.0
129.05482	0.7
129.07011	5.1
130.07779	1.4
131.04950	0.7
131.08553	11.6
132.05701	0.9
133.06502	3.5
133.10123	8.5
135.04417	1.1
135.08038	8.1
135.11670	4.5
137.09583	5.5
139.07544	1.1
141.06943	0.7
142.07776	1.0
143.08553	6.4
145.06453	2.3
145.10100	13.5
147.08026	14.0
147.11705	3.0
149.09593	6.2
151.07541	0.6
151.11159	2.0
153.09084	2.1
153.12724	3.6
155.08549	2.0
157.06483	1.0
157.10126	4.6
159.08061	3.6
159.11642	4.1
161.09610	11.3
161.13203	0.7
163.07503	2.9
163.11159	7.7
165.09050	3.0
167.08531	0.6
169.10118	1.3
171.08051	1.2
171.10243	0.9
171.11652	2.6
173.09669	2.9
173.13196	0.9
175.11156	2.4
177.09114	1.2
177.12585	0.8
179.10744	1.5
181.12241	3.4
183.11623	0.9
185.13196	1.4
187.11115	1.9
189.09171	1.4
189.11177	6.8
189.12764	1.3
191.10645	3.5
193.12199	7.0
195.11656	0.7
199.11179	1.1
201.12935	0.7
203.14197	0.7
205.12105	1.0
207.10143	0.9
209.11711	1.3
213.12685	1.2
223.13243	4.9
227.12717	4.3
227.17900	1.5
231.13673	1.0
233.46420	0.6
237.16351	1.0
243.17395	1.3
245.18976	1.8
249.14857	5.4
255.17374	3.1
261.18427	1.5
269.63104	0.6
271.16797	2.0
273.18451	28.3
274.18759	1.1
275.20139	0.8
283.15390	1.4
289.17896	8.9
291.19498	94.4
292.19766	3.3
297.65533	0.6
307.18826	2.0
309.20483	1.3
321.24103	0.5
347.22165	8.0
363.21671	1.6
365.18674	0.6
365.23187	11.3
381.22644	21.8
382.23050	1.0
397.10028	0.6
460.25745	0.6
564.94983	0.6
653.40485	4.3
671.41309	15.2
672.41333	1.1
689.26129	2.3
689.40289	1.1
690.29742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03930	1.8
62.28620	0.8
69.30779	3.9
75.04473	3.1
77.03921	1.8
77.87518	0.7
79.05499	1.2
85.02886	1.0
87.04428	0.8
91.05468	1.1
94.06567	2.6
95.04961	10.7
96.08150	0.8
98.23502	1.0
101.05999	0.7
103.05471	1.2
105.03381	71.7
105.04518	3.7
105.07006	1.9
106.03719	1.5
108.08104	3.9
111.08059	1.2
112.07505	0.9
114.32722	0.8
115.05433	0.8
117.06992	1.3
121.06586	0.9
124.07534	0.9
128.06233	1.1
129.06976	1.7
132.08032	1.8
138.09143	2.3
141.07008	1.1
144.05792	0.9
144.08104	1.3
145.06493	1.1
146.09654	2.3
148.07533	1.1
153.05498	0.8
158.09616	0.9
159.08066	2.0
160.07625	4.0
167.08580	1.2
169.06581	1.1
170.09697	0.9
178.07828	2.2
179.08604	2.5
185.09712	0.8
186.09105	1.6
188.07298	0.8
188.10699	0.9
190.07611	0.9
191.08543	1.5
193.10117	1.7
194.07399	1.1
195.08147	0.8
203.08627	2.4
205.10100	2.3
207.08093	3.6
208.08615	0.8
209.09666	1.1
214.12273	0.9
215.08685	1.0
219.08054	1.6
221.09639	3.3
223.11162	0.8
231.08061	1.7
233.09724	1.3
235.07597	2.4
247.49548	0.8
248.08391	1.0
248.10825	1.0
249.09082	2.4
250.12369	1.4
263.10608	1.4
267.10165	1.6
278.11899	1.2
280.13199	0.9
352.15524	1.2
356.18582	2.2
412.17673	1.7
416.20734	1.0
473.83115	0.8
478.22049	2.4
506.21725	3.2
510.24652	1.4
538.24286	3.7
570.26587	3.7
584.04944	0.9
598.26599	4.2
630.28906	11.8
690.31067	100.0
691.31500	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	690.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	1.1
51.02373	1.8
53.03936	2.8
56.05017	1.2
57.10241	0.7
58.06596	9.4
75.04485	2.3
77.03928	2.9
79.05460	1.3
91.05473	1.7
95.04958	11.4
101.90661	0.8
105.03378	69.2
105.04525	2.9
105.07029	1.8
106.03719	1.9
107.06081	1.0
108.08118	2.5
110.22085	0.8
115.05445	1.2
117.07052	1.3
122.09686	2.0
128.06174	0.8
129.07002	2.7
131.07288	0.9
136.07564	0.7
138.09187	1.0
144.08057	1.3
145.06514	1.6
146.09645	1.1
147.04442	1.1
147.10533	0.7
152.10739	1.8
153.06921	0.9
155.08577	0.9
159.08047	0.7
160.07561	1.7
160.11339	1.2
167.08606	1.2
172.11224	1.2
174.09161	2.1
178.07730	1.3
179.08563	1.7
190.07687	1.0
191.08653	1.4
192.09227	1.0
193.10156	1.7
195.08101	1.0
197.09720	1.0
203.08557	1.2
205.10106	1.6
207.08084	1.6
208.11201	0.7
209.09625	1.2
218.07251	1.3
219.08090	1.0
221.09645	2.5
225.09181	1.2
228.89865	0.9
231.08134	1.1
233.09615	1.8
235.07541	1.5
237.09042	1.1
248.10808	1.0
249.09175	2.3
251.10776	1.4
263.10699	1.7
267.10202	1.5
268.13400	0.9
281.11655	1.0
292.13150	0.9
306.15152	0.9
310.14191	1.2
317.09262	0.9
324.16010	1.1
356.18661	0.9
370.19858	1.2
388.21280	1.6
506.21686	1.7
510.24796	1.6
520.23236	1.8
538.24286	2.1
552.25806	2.9
570.26764	3.4
598.26599	1.3
612.28290	3.0
630.29089	12.5
631.29779	1.0
690.31049	100.0
691.31403	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	690.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.4
51.02373	0.3
53.00280	0.2
53.03684	0.1
53.03935	2.2
55.01855	0.8
55.05486	0.2
56.05013	0.2
58.06580	0.6
59.04977	0.4
61.02913	0.2
63.02357	0.1
65.03917	0.5
66.04703	0.1
67.04236	0.1
67.05480	0.3
68.05009	0.2
68.99767	0.3
69.03403	0.3
69.03734	0.1
69.07071	0.1
70.06564	0.6
71.04974	0.9
72.04494	0.4
74.06063	1.0
75.04462	4.3
77.03910	3.8
78.04271	0.1
79.05479	1.3
80.05003	0.2
81.03407	0.6
81.05770	0.1
81.07053	0.5
82.06560	0.8
83.04964	0.2
83.73025	0.1
83.84868	0.1
84.04471	0.4
84.08118	0.5
84.35704	0.1
85.02888	1.0
85.06523	0.3
86.06078	0.1
87.04454	0.8
87.06820	0.1
88.07623	0.9
89.03918	0.1
91.05459	2.6
92.04995	0.1
93.03390	0.2
93.05773	0.2
93.07022	0.3
94.04178	0.1
94.06549	3.2
95.04947	16.9
96.04455	0.1
96.05278	0.2
96.08120	0.3
97.02872	0.3
97.06516	0.5
98.06026	0.4
98.22573	0.1
99.04449	0.2
100.07584	0.4
101.05993	0.5
103.05444	1.1
105.03371	100.0
105.04381	6.1
105.06985	2.6
106.03695	1.7
106.04829	0.1
106.06540	0.2
106.07317	0.1
107.04909	0.6
107.07304	1.3
108.04479	0.4
108.08092	4.9
109.02837	0.3
109.05301	0.1
109.06487	1.2
109.08406	0.1
110.05357	0.1
110.05994	0.4
110.09685	0.1
111.04430	0.5
111.08050	1.3
111.11720	0.1
112.07565	0.3
113.05990	0.1
114.09139	0.3
115.03982	0.1
115.05421	1.5
115.07581	0.1
116.06223	0.2
117.05766	0.6
117.06990	1.7
118.04148	0.2
118.06535	0.7
119.04912	1.2
119.08574	0.3
120.08083	1.4
121.02847	0.2
121.06481	0.9
121.08885	0.3
122.06004	0.4
122.09663	0.2
123.04419	0.5
123.08069	0.3
123.69047	0.1
124.07567	1.0
125.05955	0.4
126.09129	0.3
127.03902	0.1
128.06172	1.3
128.07033	0.1
129.06972	2.9
129.12712	0.1
130.06480	0.2
130.07596	0.1
131.04886	0.8
131.07295	1.2
131.08524	0.4
132.08064	2.3
133.02798	0.9
133.06456	0.8
133.08887	0.5
134.05988	0.3
134.07121	0.1
134.09619	0.3
135.04405	0.5
135.06924	0.1
135.08003	1.3
136.05170	0.1
136.07555	0.7
137.05939	1.0
137.08295	0.3
138.05472	0.1
138.09106	3.7
139.03896	0.3
139.06383	0.1
139.07509	0.2
140.10680	1.1
141.06949	1.3
141.09073	0.3
142.07758	0.2
143.04890	0.3
143.07402	0.2
143.08553	0.6
144.05667	0.5
144.08049	3.2
145.06447	1.6
145.08839	1.2
146.03621	0.3
146.05981	0.7
146.07141	0.2
146.09613	3.6
147.04358	1.3
147.06827	0.2
147.08028	0.8
147.10344	0.1
148.07535	1.0
148.11201	0.1
149.02347	0.2
149.05946	1.3
149.08334	0.2
149.09564	0.1
150.09102	0.9
151.07533	0.3
151.09903	0.2
152.06044	0.3
152.10667	0.2
153.05467	0.4
153.06973	0.9
154.07689	0.2
155.04893	0.2
155.06081	0.2
155.07274	0.1
155.08492	1.0
156.05594	0.1
156.08040	0.3
157.06445	0.9
157.08861	0.5
157.10019	0.2
158.05988	0.2
158.07254	0.3
158.09612	1.6
159.04413	0.3
159.06827	0.1
159.08012	2.0
159.10291	0.2
160.07536	5.6
160.11105	0.5
161.05968	0.8
161.08177	0.3
161.09616	0.4
162.05443	0.1
162.09103	1.3
163.03870	0.3
163.07538	0.7
163.09834	0.2
164.07051	0.1
164.10648	0.5
165.05473	0.6
165.06995	1.9
165.09119	0.2
165.11340	0.1
166.07588	0.5
167.07178	0.3
167.08559	1.2
168.05676	0.2
168.08041	0.6
168.10199	0.3
169.06467	1.1
169.08800	0.8
169.10181	0.2
170.07341	0.2
170.09598	2.5
170.11775	0.2
171.04343	0.2
171.08067	1.0
171.10355	0.6
172.07542	0.5
172.08830	0.2
172.11163	0.4
173.05951	0.3
173.08318	0.3
173.09642	0.4
173.11986	0.1
174.05472	0.7
174.06682	0.1
174.09087	0.8
175.03888	0.1
175.06236	0.2
175.07529	0.4
175.09894	0.2
176.07108	0.8
176.10641	1.2
177.05452	0.8
177.06993	0.2
177.09061	0.6
177.11432	0.2
178.07654	2.6
178.12247	0.7
179.07008	0.2
179.08499	3.2
180.10416	0.4
181.04935	0.2
181.06479	1.1
181.08743	0.3
181.10123	0.9
182.07242	0.3
182.09576	0.7
183.04358	0.1
183.06703	0.1
183.08043	0.8
183.10381	0.2
184.07544	0.3
184.08827	0.2
184.11208	0.3
185.05936	0.5
185.09624	0.5
186.09100	1.4
187.07579	0.5
187.09843	0.3
188.06993	1.0
188.10655	1.1
189.07065	0.6
189.09164	0.2
189.11484	0.2
190.07587	1.5
190.12291	0.2
191.06963	0.2
191.08488	2.0
192.06531	0.2
192.09158	0.9
193.06525	0.4
193.08572	0.1
193.10103	2.2
194.07254	0.5
194.09462	0.6
195.06358	0.2
195.08043	1.2
195.10324	0.2
195.11797	0.2
196.08830	0.3
196.11220	0.4
197.06009	0.4
197.08092	0.2
197.09726	0.6
197.11319	0.1
198.06647	0.1
198.07236	0.1
198.09082	0.9
198.12790	0.1
199.07529	0.5
199.09677	0.2
200.10623	0.8
201.05403	0.1
201.07155	0.1
201.09093	0.3
201.11314	0.1
202.07649	1.4
202.12201	0.9
203.06958	0.1
203.08516	3.1
203.12883	0.1
204.09171	0.6
204.13864	0.1
205.06508	0.7
205.10098	2.7
206.07278	0.9
206.09550	0.2
206.11815	0.5
207.08017	3.8
207.10086	0.2
207.11882	0.4
208.08771	0.8
208.11159	0.4
208.13022	0.1
209.05949	0.3
209.07774	0.1
209.09628	1.4
209.11574	0.1
210.06793	0.2
210.09143	0.5
210.12656	0.1
211.07648	0.6
211.09608	0.1
211.11499	0.4
212.08705	0.1
212.10606	0.6
213.05428	0.1
213.09265	0.4
213.11101	0.1
214.08623	0.3
214.12241	0.5
215.07130	0.1
215.08644	0.9
215.10687	0.1
216.09283	0.1
216.10269	0.1
217.06496	0.2
217.08383	0.2
217.10252	0.5
218.07278	1.0
218.09615	0.3
218.11739	0.2
219.08038	2.3
219.10255	0.3
219.12146	0.1
220.08829	1.2
220.11221	0.5
220.13339	0.7
221.05986	0.4
221.09598	3.6
221.11829	0.3
222.06688	0.2
222.10320	0.3
222.12785	0.4
223.07611	1.0
223.11299	0.7
224.08281	0.4
224.10698	0.6
225.09109	0.8
225.12740	0.1
226.08475	0.1
226.12099	0.4
227.06964	0.1
227.10683	0.1
228.10172	0.2
228.13791	0.1
229.08554	0.2
230.11732	0.2
231.08047	1.8
231.10345	0.5
232.08783	0.8
232.11205	0.7
232.13269	0.1
233.05920	0.2
233.09642	2.1
233.11874	0.2
234.06720	0.6
234.09184	0.3
234.10681	0.1
234.12669	0.4
234.14740	0.1
235.07527	3.0
235.11299	1.1
236.08247	0.6
236.10764	0.7
236.14417	0.1
237.05421	0.1
237.09103	1.6
237.11154	0.1
237.12788	0.3
238.09770	0.2
238.12280	0.7
238.14177	0.1
239.06932	0.2
239.10699	1.1
239.12881	0.1
240.10231	0.3
240.13820	0.2
241.08589	0.2
241.12320	0.1
242.07465	0.1
242.11728	0.3
243.08089	0.2
244.08820	0.2
244.11172	0.2
244.13368	0.2
245.09601	0.4
245.11942	0.3
246.06726	0.2
246.09033	0.2
246.12698	0.7
246.14873	0.1
247.07529	0.9
247.09692	0.2
247.13516	0.1
248.08266	0.9
248.10727	1.2
248.13301	0.1
248.14276	0.1
249.09077	3.0
249.11427	0.4
250.09743	0.6
250.12297	1.2
250.14444	0.1
251.06993	0.3
251.10733	1.2
251.13020	0.1
252.07788	0.7
252.10378	0.3
252.13858	0.3
253.08553	0.5
253.12447	0.4
253.14482	0.1
254.09300	0.1
254.11810	0.4
254.15254	0.1
255.10095	0.2
256.11075	0.1
256.13364	0.5
257.11899	0.1
258.09018	0.1
258.15042	0.1
259.07355	0.6
259.09784	0.1
260.08221	0.2
260.10690	0.5
261.09076	1.0
261.11481	0.4
262.09729	0.2
262.12155	0.7
262.14474	0.1
263.06921	0.2
263.10663	2.3
263.13043	0.2
264.07730	0.2
264.10168	0.5
264.13562	0.6
265.08420	0.4
265.12460	0.6
266.09195	0.3
266.11789	0.6
266.15063	0.1
267.06958	0.1
267.10086	2.1
267.12433	0.1
268.10760	0.1
268.13370	0.4
269.11670	0.3
270.11322	0.2
270.14941	0.2
271.13004	0.1
272.10440	0.2
272.13089	0.2
273.08908	0.1
273.11514	0.2
274.09470	0.1
274.12167	0.9
275.06857	0.1
275.10507	0.2
275.13150	0.1
276.07751	0.2
276.10245	0.4
276.13776	0.2
277.08493	1.3
277.11197	0.1
278.08908	0.2
278.11746	1.4
278.15286	0.2
279.10107	0.7
279.12695	0.3
280.10312	0.2
280.13327	0.6
281.11664	1.0
281.14185	0.1
282.11539	0.2
282.14880	0.4
283.09756	0.1
283.13080	0.1
284.12851	0.3
284.16138	0.1
285.11325	0.1
287.09503	0.1
288.10165	0.1
289.08398	0.2
289.11136	0.1
290.11658	0.6
291.09802	0.5
291.12634	0.2
292.10059	0.2
292.13205	1.1
293.11609	0.2
293.14276	0.2
294.11230	0.3
294.14911	0.4
295.09598	0.2
295.13205	0.6
296.09732	0.1
296.12823	0.4
296.16269	0.2
297.07617	0.1
297.10922	0.1
298.10959	0.1
298.14423	0.2
299.12817	0.1
301.11157	0.1
302.11664	0.5
303.12607	0.1
306.11203	0.4
306.14886	0.5
307.12134	0.3
308.12796	0.5
309.10986	0.7
310.14359	0.6
310.17740	0.1
311.12607	0.1
312.12607	0.1
312.15887	0.3
314.13629	0.1
316.15683	0.1
318.11148	0.1
319.12054	0.2
320.12927	0.7
320.16309	0.1
322.10980	0.1
322.14371	0.2
323.12598	0.4
324.12140	0.2
324.15842	1.0
326.13974	0.2
327.12381	0.1
328.15509	0.2
328.19028	0.2
334.14407	0.4
336.12189	0.2
338.13791	0.2
338.17621	0.2
340.15472	0.2
341.13934	0.3
342.16971	0.6
346.16602	0.1
352.15311	1.5
352.19186	0.1
353.15939	0.1
354.17050	0.2
356.14410	0.2
356.18497	1.7
357.11127	0.2
358.16470	0.2
360.21658	0.2
366.17056	0.3
368.14798	0.1
370.16364	0.3
371.12228	0.1
372.18042	0.1
384.17963	1.3
386.19870	0.1
388.21100	1.2
388.25769	0.1
389.13684	0.1
398.19455	0.2
399.12543	0.1
400.15536	0.3
401.13770	0.1
402.19119	0.2
412.17542	1.7
414.16989	0.1
416.20547	1.0
418.16461	0.2
430.16830	0.1
431.15115	0.1
432.18091	0.2
434.21393	0.2
442.16461	0.2
444.19522	0.2
445.16772	0.2
446.19513	0.3
447.18213	0.1
448.17450	0.4
448.23251	0.4
450.19098	0.1
456.18030	0.1
457.17178	0.1
460.16833	0.1
462.18991	0.1
463.17471	0.1
464.20819	0.1
474.18924	0.9
475.18951	0.1
476.21997	0.1
477.17749	0.1
478.22318	1.8
479.22531	0.1
480.19995	0.7
488.20602	0.4
490.23950	0.1
492.20590	0.1
494.21786	0.2
506.21652	3.4
506.29153	0.2
507.22107	0.3
508.23553	0.1
510.24884	1.2
511.25235	0.1
512.22943	0.2
520.23724	0.2
534.21106	0.1
538.24207	3.8
539.24634	0.3
552.25024	0.1
554.23584	0.1
566.23676	0.6
570.26831	3.4
571.27173	0.2
580.25885	0.1
598.26367	4.2
599.26898	0.3
630.28882	11.1
631.29205	0.9
658.29272	0.2
690.30945	100.0
691.31354	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	690.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05041	1.7
58.06588	10.5
62.43631	0.7
65.03937	3.7
69.03410	0.8
69.07056	0.7
70.06593	4.7
71.04978	1.3
72.08172	0.7
73.78626	0.7
75.04462	1.3
79.05456	1.5
81.07050	1.3
85.02898	2.0
86.06044	0.7
86.09702	1.6
91.05450	3.5
93.07022	1.0
94.06528	1.2
95.04956	2.7
95.08719	0.7
96.08105	0.9
97.02856	0.7
102.09166	1.0
103.05456	0.8
104.10743	3.3
105.03387	3.4
105.07006	4.3
107.04934	1.0
107.08599	0.9
108.08114	2.5
109.06524	0.9
110.09725	1.2
111.04447	3.1
112.07626	2.7
115.05434	1.6
117.07021	1.7
119.05032	0.7
119.08599	1.3
121.02848	71.7
121.03899	2.6
121.06493	1.6
122.03220	1.3
122.09663	2.1
123.04401	1.3
124.99989	1.6
127.03933	0.8
128.06206	1.1
129.06996	2.4
131.04898	1.2
131.08522	0.9
132.08134	0.7
133.06483	0.9
134.09647	1.1
135.04433	0.9
135.07965	1.3
136.11127	0.8
137.05984	2.3
138.09074	0.7
140.07045	1.7
141.07019	1.1
143.08513	0.7
145.02882	0.8
145.06488	2.2
146.09641	1.0
147.08028	1.2
149.05975	2.0
152.10721	2.9
153.06990	0.9
157.06465	1.2
158.09641	2.6
159.08018	1.4
160.07426	0.7
160.11215	2.8
162.09135	1.2
163.07552	1.0
164.10742	0.7
165.07011	2.0
167.08498	1.0
172.11203	1.2
174.09135	1.9
175.14822	1.0
176.10692	1.0
177.05542	1.1
177.09052	1.3
178.07794	1.5
178.12280	1.6
179.08534	1.2
181.06557	1.1
181.10136	1.3
182.11777	0.9
184.07352	3.4
184.11183	0.8
187.07605	0.9
188.10722	1.0
190.12231	0.8
191.08591	2.1
193.08511	0.8
193.10170	1.5
195.07945	1.1
200.10623	1.3
202.07780	1.1
203.08501	1.4
204.10190	1.0
205.06644	0.8
205.10120	2.4
206.07198	0.8
207.08102	1.3
208.08974	1.1
209.09645	2.4
215.08620	1.9
217.10158	1.2
218.11757	1.1
219.08026	2.0
220.08852	1.0
221.09607	2.5
223.11227	1.6
231.08009	0.9
232.13310	1.2
233.09627	3.0
234.14699	0.9
235.11208	1.9
236.10805	0.9
237.09207	1.6
245.09428	0.9
249.09079	0.9
251.10567	0.8
262.12463	0.8
263.10733	1.5
276.13876	1.2
278.15146	0.9
294.14746	0.9
308.16318	1.1
310.18048	0.9
314.34473	0.9
338.17529	1.0
350.17630	1.3
368.18658	0.9
382.20023	1.6
400.21246	1.1
414.22757	0.9
488.20612	1.3
494.21973	1.1
520.23090	2.8
528.32867	1.2
552.25818	7.6
553.25555	0.9
556.28845	1.0
570.26984	7.1
571.26971	1.0
574.14886	0.7
612.28009	4.5
630.28918	17.4
631.29529	1.1
690.31000	100.0
691.31561	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	690.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01866	4.9
55.05504	15.6
55.40694	1.1
57.03428	13.6
59.04985	1.5
61.02917	4.7
67.05498	21.4
69.03414	3.2
69.07059	6.2
71.04974	5.5
77.03885	1.2
79.05487	28.0
81.03406	50.7
81.07047	26.1
83.01333	4.4
83.04967	18.3
83.08611	22.3
85.02894	20.9
85.06524	1.6
91.03941	1.4
91.05466	29.8
93.07032	23.8
95.04956	23.3
95.08582	11.7
97.02886	6.2
97.06503	4.4
97.10157	3.5
98.22569	1.4
99.04446	3.6
99.08071	1.2
105.03394	4.1
105.07015	20.1
107.04929	11.5
107.08578	14.1
109.06497	7.4
109.10135	1.9
110.48015	1.0
111.04446	2.3
111.08080	7.0
113.05991	1.7
117.07013	7.8
119.08574	16.5
121.06482	3.5
121.10145	10.6
123.08055	7.3
125.06017	1.1
125.09614	3.0
129.06989	6.3
131.08575	8.0
133.06537	1.8
133.10123	8.7
135.08035	2.0
135.11676	7.4
137.09566	2.2
142.07707	1.7
145.10112	9.8
147.08064	3.1
147.11681	10.2
149.09583	5.0
153.12733	2.4
157.10089	11.3
162.46497	1.0
163.11157	15.4
165.12721	1.4
173.09610	3.1
175.11143	11.3
181.12276	2.6
191.10672	1.5
193.12193	30.7
194.12437	1.2
209.11746	3.8
211.13263	42.6
212.13586	1.8
220.36327	1.1
227.12726	2.7
267.15829	9.6
283.15347	49.0
284.15787	3.0
284.18890	1.1
285.16919	40.5
286.17334	1.6
371.66193	1.0
383.22284	3.7
457.25858	3.7
475.26810	11.3
493.27908	100.0
494.28476	7.3
657.02759	1.4
690.31689	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	690.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.9
55.01863	16.1
55.05505	60.5
57.03421	9.1
65.03929	3.9
67.05493	67.7
69.03430	8.5
69.07070	23.5
69.23197	7.4
69.23608	13.2
71.04977	11.6
71.08630	5.5
79.05486	93.5
81.03405	14.6
81.07046	100.0
83.04966	17.1
83.08609	39.9
85.02893	3.9
85.06528	5.2
88.58814	3.5
89.06018	9.3
91.05466	56.3
93.07032	52.2
95.04955	76.5
95.08586	28.0
97.02845	5.3
97.06549	7.8
97.10148	20.7
105.03387	7.7
105.07008	51.2
107.04930	35.2
107.08577	46.6
109.02858	10.6
109.06510	38.4
109.10139	17.6
111.04427	13.2
111.08056	10.7
117.06987	30.9
119.04890	4.3
119.08573	48.6
121.06469	17.3
121.10136	25.9
123.04381	4.7
123.08059	12.4
125.09608	19.2
129.07031	3.4
131.08533	28.7
133.06514	6.4
133.08566	7.0
133.10103	35.7
135.08014	23.5
135.11707	15.4
137.09605	6.5
141.06990	4.5
143.08516	8.2
145.06497	7.2
145.10094	31.7
147.08035	8.8
147.11670	9.6
149.09601	23.7
151.11156	5.0
153.09068	6.7
155.08499	5.5
157.10112	8.3
159.08073	13.5
159.11615	11.2
161.09593	11.9
163.07518	6.9
163.11104	26.1
171.08070	4.7
171.11679	6.7
173.09592	9.7
173.13184	5.9
175.11131	4.2
177.12706	6.6
179.10649	10.2
187.11227	4.6
189.09360	4.0
189.11209	11.6
200.39861	3.7
201.35985	3.7
205.12297	7.4
223.13193	36.6
225.11224	3.9
243.17401	7.5
253.16010	4.4
257.18890	5.8
261.18469	11.4
271.16907	16.2
275.20032	58.6
286.93423	4.4
289.17926	52.4
291.19705	4.7
293.21103	32.3
307.18985	7.2
340.72482	3.9
342.08392	3.8
349.23608	24.8
363.21542	64.3
367.24701	33.0
637.41119	35.6
638.40875	5.3
655.41858	47.4
690.30627	10.0
691.40277	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	691.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01866	0.8
55.05505	1.7
57.03428	2.4
58.06587	1.8
67.05491	1.0
69.03421	24.0
69.79622	1.6
71.01334	0.5
71.04983	1.4
73.02905	8.2
75.04465	1.0
77.03905	0.8
78.00580	0.5
79.05472	1.6
80.74100	0.5
81.03405	1.9
81.07033	1.5
83.04970	8.3
83.08601	1.5
85.02895	14.8
87.04451	1.1
91.05460	2.8
92.05832	0.6
93.07031	1.5
95.04965	4.6
96.05312	0.7
97.02881	84.9
98.03260	0.6
103.85874	0.6
104.78176	0.5
105.02681	0.8
105.03380	14.0
105.04467	1.2
105.07018	1.5
106.03714	4.6
107.04098	0.6
107.04977	0.5
107.08595	0.8
108.08170	0.7
111.00716	0.6
111.04430	6.5
111.08050	1.3
115.03916	56.9
119.08540	1.0
121.02841	1.5
121.06493	0.6
122.22240	0.5
123.08051	0.6
127.03903	1.9
129.05486	1.2
129.06982	1.2
131.08536	0.9
135.08061	0.6
137.02376	0.7
151.03880	0.8
152.10683	0.9
153.01804	1.7
157.04945	100.0
158.05283	1.1
159.09955	0.5
163.11127	0.8
171.06525	2.0
175.06006	17.7
175.11101	0.6
185.11574	0.6
190.08450	0.5
193.10188	0.5
193.12180	1.0
211.13237	1.5
213.05370	0.8
216.36465	0.5
219.08134	0.6
235.07491	0.6
249.45236	0.5
258.05212	0.5
262.09326	0.5
267.15659	0.6
283.15378	1.8
285.16925	1.3
287.05460	52.3
288.05713	1.4
306.14893	0.8
311.05460	0.6
321.19696	0.6
329.06555	1.1
435.42090	0.6
493.27753	1.9
494.28098	1.5
570.28595	0.8
615.65344	0.6
630.31720	2.5
631.31952	1.0
680.43042	0.6
690.33423	14.5
691.33453	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	691.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15897	0.6
52.52128	0.5
53.03946	4.1
55.01850	0.6
55.05491	0.9
57.03415	1.9
57.41720	0.5
58.06587	1.3
62.48578	0.6
68.99765	1.1
69.03420	24.3
69.03799	1.3
69.67770	2.1
73.02908	8.6
79.05478	0.8
81.03405	1.1
81.07066	0.8
83.04976	4.4
85.02894	14.5
87.04463	1.0
91.05459	1.5
95.04965	2.5
96.05261	0.7
97.02878	81.6
98.03245	1.0
105.03372	14.7
105.04492	1.1
105.07013	1.1
106.03709	2.8
108.08078	0.5
111.04442	5.7
115.03914	56.2
116.04267	0.8
121.02840	1.2
127.03904	1.5
129.05446	1.1
131.95290	0.5
147.04413	1.1
153.01794	1.1
153.05435	3.3
157.04941	100.0
158.05276	1.7
160.07588	0.8
162.03311	0.6
171.06470	3.1
175.05998	19.6
179.08549	1.0
193.12244	0.5
231.08525	1.2
283.15250	0.9
285.17004	0.7
287.05463	47.3
288.05890	1.8
329.06442	0.7
517.13391	1.0
573.62964	0.7
585.63214	0.7
630.29285	0.8
631.29584	1.9
690.31360	6.2
691.31458	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	691.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06680	0.2
55.01875	0.2
55.05499	0.4
56.50363	0.2
67.05490	0.9
69.07050	0.3
69.88154	0.7
79.05477	1.1
81.03378	0.3
81.07041	1.2
91.05471	0.8
93.07033	0.6
95.04977	0.5
95.08578	0.5
98.22687	0.3
105.07021	0.6
107.04945	0.3
109.06532	0.3
109.10154	0.5
111.04411	0.2
117.06970	0.3
119.08558	0.6
123.90344	0.2
125.09590	0.3
129.06947	0.3
131.08562	0.3
145.10086	0.3
147.11693	0.3
163.11169	0.4
220.07451	0.2
221.08183	0.3
234.09064	0.3
236.06967	1.3
245.18892	0.2
247.09950	0.5
248.07019	1.0
249.07693	1.2
249.11617	0.3
250.08516	0.6
251.09576	0.4
252.10280	0.7
261.07736	0.4
262.08649	0.9
263.09338	3.3
264.06604	0.6
264.10138	2.4
265.07272	0.7
265.10864	0.6
266.11734	0.8
276.06467	0.3
276.10294	0.3
277.07373	0.8
277.11026	0.8
278.08096	2.2
278.11731	1.0
279.08905	1.8
279.12497	2.5
280.09647	12.0
281.09949	0.5
290.08093	1.1
291.08862	3.5
292.09628	26.6
293.10260	3.0
294.11197	6.1
295.12024	2.8
296.12634	0.3
305.10397	0.3
306.07883	0.5
306.11176	1.8
307.11972	14.1
308.09161	10.3
308.12524	1.2
309.09857	0.5
309.13525	1.8
310.14319	1.4
322.10690	28.6
323.11386	5.4
323.15253	0.5
324.11996	0.7
336.12296	0.9
337.13028	4.6
338.13806	100.0
339.14233	4.5
340.15070	0.7
342.68411	0.3
352.15414	1.0
353.16162	30.5
354.16760	3.5
359.86874	0.3
382.22855	0.3
494.09988	0.5
565.04584	0.3
603.21521	0.4
615.20514	0.3
630.22839	0.3
646.22729	0.3
661.25366	0.5
676.27179	1.1
680.53101	0.3
691.16370	2.0
691.29468	6.6
692.16998	0.3
692.28967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44182	0.7
52.94424	0.6
53.03921	0.7
55.01859	1.8
55.05506	5.4
57.03426	4.0
57.07064	1.0
61.02908	2.0
62.49558	0.6
67.05167	0.6
67.05497	9.9
69.03404	1.8
69.07053	6.6
69.61809	1.0
69.62182	1.2
70.09729	0.6
71.04970	1.3
73.02880	1.0
79.05489	8.9
81.03410	2.2
81.07043	13.1
83.04964	3.7
83.08606	2.2
85.02895	2.3
85.06535	0.8
86.82240	0.8
91.03918	1.0
91.05474	7.3
91.26332	0.7
93.07027	13.3
95.04963	4.6
95.08588	8.7
97.02889	1.0
97.06500	2.5
97.10152	1.2
105.03371	4.3
105.04468	0.9
105.07009	10.8
106.03667	0.9
107.04935	2.9
107.08579	9.2
109.06503	5.0
109.10134	4.2
111.08085	1.4
117.07003	3.6
119.08570	6.6
121.06497	5.4
121.10127	4.2
123.08055	2.8
123.11697	0.9
129.06992	1.9
131.08542	8.2
133.06476	1.9
133.10112	9.1
135.08017	2.3
135.11664	3.0
137.09612	1.1
141.06964	0.6
143.08533	2.0
145.10100	7.4
147.08017	2.5
147.11676	5.3
149.09583	3.9
149.13229	1.5
151.11162	2.2
155.08603	0.9
157.10109	1.9
159.08034	1.6
159.11665	3.4
161.09554	1.9
161.13213	1.6
163.11147	4.3
165.12714	1.4
169.10100	1.0
171.11679	1.5
173.09647	0.9
173.13202	2.5
175.11198	2.2
177.12711	1.4
187.11090	0.7
191.14279	1.7
193.12234	1.6
197.13219	0.9
201.12773	1.8
202.51662	0.6
207.13811	2.1
211.13274	1.4
215.17911	0.7
219.13742	1.8
229.19542	1.2
233.19022	0.8
239.17805	1.1
247.20497	1.5
257.19003	5.3
267.15744	0.9
275.20016	36.4
276.20474	0.8
285.17001	1.4
293.21048	4.5
349.23676	100.0
350.24011	5.6
367.24963	3.4
368.38669	0.7
448.59488	0.7
494.27908	1.0
495.29498	1.4
511.29373	1.4
631.30670	0.7
691.31836	7.8
692.32416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05447	0.6
53.03951	0.9
55.01860	0.8
55.05505	2.0
56.49877	0.6
57.03428	1.8
61.02915	5.8
66.83158	0.8
67.05494	8.7
69.03424	3.9
69.07055	2.1
71.04984	1.2
73.02915	3.2
73.62376	0.7
79.05480	5.1
81.03423	1.8
81.07040	5.4
83.04992	1.5
83.08631	1.3
85.02888	4.6
91.03945	3.4
91.05471	6.2
93.07040	5.4
95.04964	2.0
95.08584	7.3
97.02882	4.4
97.06521	0.8
99.04410	0.9
101.02373	2.0
105.07032	2.3
107.04930	0.9
107.08603	2.7
109.02871	1.4
109.06541	1.9
109.10166	3.0
116.73400	0.7
117.06979	1.6
119.08582	3.5
121.10152	2.3
127.03905	1.4
131.08559	1.2
133.10179	0.9
135.08090	0.9
135.11662	1.2
137.09636	2.3
145.10159	1.1
163.11130	0.8
175.07384	0.8
195.10004	1.3
211.13205	0.8
229.14400	0.8
243.08446	2.1
258.19757	0.8
275.20108	1.5
291.19656	2.4
351.15201	0.9
413.17758	10.5
418.53436	0.7
519.28943	4.4
691.40149	100.0
692.40405	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	691.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52012	0.4
55.01872	0.4
55.05495	1.8
57.03440	2.1
59.04984	0.4
61.02924	6.7
67.05155	0.6
67.05499	11.3
69.03422	3.2
69.07054	1.5
70.71395	0.4
71.04982	0.7
73.02907	4.6
76.89899	0.5
79.05483	3.2
81.03407	2.1
81.07042	4.2
83.08615	0.8
85.02895	5.6
87.04497	0.6
91.03941	3.8
91.05484	2.2
93.07055	2.5
95.04964	0.5
95.08589	3.7
97.02888	5.2
99.04449	1.0
101.02395	2.1
103.03936	0.8
105.07027	1.0
107.08592	1.5
109.02873	1.0
109.10152	9.2
115.03936	0.8
119.08572	1.0
121.10153	1.3
127.03889	1.9
133.10156	0.7
135.11702	0.5
137.09627	0.5
149.13297	0.6
155.10664	0.6
172.40489	0.5
173.11781	1.9
184.72362	0.4
185.04199	0.5
195.09993	0.9
229.14304	1.0
243.08356	2.9
251.12630	0.6
291.19629	0.7
303.25586	0.4
413.17773	10.1
519.29285	5.1
644.49866	0.5
691.40167	100.0
692.29462	0.3
692.40448	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	691.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01861	0.6
55.05503	1.4
57.03431	1.9
59.04986	0.5
61.02917	7.3
67.05151	0.7
67.05493	7.9
69.03424	3.8
69.07053	1.3
69.28548	1.8
69.28957	1.0
73.02901	4.7
79.05495	3.2
81.03409	1.9
81.07046	5.2
83.08617	1.1
85.02895	6.6
85.83539	0.4
87.04463	0.5
91.03951	4.9
91.05483	1.6
93.07040	3.9
95.04990	0.7
95.08594	4.0
97.02883	5.6
99.04451	1.5
101.02377	1.9
103.03916	0.9
105.04498	0.4
105.07008	1.5
107.08601	1.8
109.02869	1.1
109.10134	5.4
115.03935	0.5
117.07030	0.6
119.08591	1.3
121.10139	2.0
127.03907	1.7
131.08498	0.6
133.10132	1.0
135.11700	0.9
137.09604	0.5
145.04958	0.8
145.10159	0.5
147.11659	0.6
151.27248	0.4
156.78952	0.5
173.11810	1.1
185.04269	0.8
185.62897	0.5
195.09985	0.5
203.05200	0.7
229.14481	0.6
243.06252	0.5
243.08331	2.1
413.17731	7.1
519.29376	7.8
520.30060	0.6
524.93658	0.5
587.36176	0.5
691.40161	100.0
692.40521	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	691.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98948	0.5
53.03949	1.0
55.01867	1.1
55.05510	2.5
57.03424	2.5
61.02917	6.6
65.23010	0.5
67.05500	6.4
68.24054	0.6
69.03414	4.0
69.07056	1.9
71.01319	0.6
71.05022	0.6
73.02905	4.4
74.04525	0.6
78.75859	0.5
79.05480	5.7
81.03391	2.5
81.07039	8.7
83.04974	0.9
83.08620	1.2
85.02895	6.2
85.06561	0.7
87.58005	0.5
91.03946	5.1
91.05455	4.5
93.07029	6.2
95.04966	2.0
95.08589	4.5
97.02884	5.6
99.04450	1.3
101.02370	2.3
105.03373	0.7
105.07011	3.4
107.04975	0.5
107.08588	2.1
109.02859	1.2
109.06512	1.0
109.10154	1.6
111.04391	0.5
111.08069	0.8
116.09910	0.6
117.07001	0.8
119.08582	2.7
121.10136	2.7
123.08057	0.6
123.11689	0.7
127.03902	2.4
129.05513	0.7
129.07007	0.5
131.08582	1.9
133.10123	1.2
135.08029	0.9
135.11667	0.7
145.10161	0.9
147.11682	1.5
151.11241	0.5
159.11702	1.0
162.76353	0.5
189.07167	0.5
212.04359	0.5
223.13147	0.6
243.08395	2.5
275.20114	1.4
293.21158	1.0
307.22705	0.8
332.96942	0.6
353.16183	0.5
441.20917	4.4
491.26117	8.5
492.26041	0.6
609.07532	0.6
691.40155	100.0
692.40436	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	691.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01865	51.5
55.05504	77.8
57.03433	14.1
57.07065	18.4
59.04979	2.6
61.02911	1.9
65.03932	6.5
67.05495	95.0
69.03423	16.0
69.07057	47.7
71.01318	2.0
71.04993	11.3
73.02904	5.9
77.03926	2.5
79.05481	91.8
80.05858	2.9
80.06261	3.4
81.03410	18.6
81.07046	98.3
82.07385	1.9
83.04972	38.2
83.08611	49.4
85.02910	7.5
85.06529	4.2
85.81299	1.5
91.05468	64.9
91.74857	1.4
93.07030	75.3
94.04208	2.0
95.04955	100.0
95.08591	44.2
95.09203	2.1
96.05734	3.5
97.02341	1.3
97.02864	9.3
97.06524	18.6
97.10155	28.3
98.07312	1.6
99.04444	12.0
99.08093	4.3
100.05223	1.8
101.05979	1.8
103.05438	1.7
105.03372	3.2
105.04490	3.5
105.07021	45.7
107.04948	25.7
107.08583	61.5
109.02892	2.2
109.06507	40.5
109.10148	42.1
111.04433	21.2
111.08058	16.7
113.06013	2.4
115.05431	3.7
116.04681	2.4
117.05460	4.0
117.06996	23.5
119.06076	1.7
119.08566	46.6
120.09419	2.2
121.06480	15.4
121.10121	36.1
122.07312	1.6
123.04395	5.2
123.08063	15.8
123.11684	7.0
125.05955	2.5
125.09614	29.0
127.07548	3.4
127.11211	9.5
128.06155	2.6
129.05457	5.9
129.07001	11.1
130.07751	2.6
131.04906	1.9
131.08554	26.3
132.26071	1.4
133.06479	4.9
133.10098	26.2
133.69417	1.4
135.08044	16.1
135.11676	22.1
135.48531	1.6
136.08823	1.4
137.05945	3.2
137.09598	42.0
137.10648	2.4
138.10359	4.3
139.07573	1.8
139.11154	7.4
141.06981	4.1
142.07733	1.7
143.06990	2.1
143.08556	6.7
145.06444	4.0
145.10107	28.7
146.10568	1.5
146.41544	1.4
147.08035	13.8
147.11662	17.1
147.92532	1.4
149.09595	38.2
149.13222	1.6
151.07530	4.9
151.11165	4.4
153.09084	8.7
153.12752	5.2
155.07295	1.6
155.08548	5.0
155.10637	3.1
157.08618	3.7
157.10121	8.6
158.05685	9.7
159.08061	4.0
159.11627	11.9
161.09616	10.6
161.13251	5.2
163.07480	2.3
163.11151	42.6
165.09097	6.6
165.12695	7.4
167.10667	1.8
169.10127	5.2
171.06519	16.6
171.10129	4.4
171.11690	5.7
173.09613	6.3
173.11703	4.7
173.13252	7.3
175.11119	7.3
175.14792	1.8
177.12688	8.1
179.10649	2.8
181.12244	7.6
183.11717	3.8
183.13765	1.5
184.07259	1.7
185.08052	4.5
187.11159	6.4
187.14735	2.3
189.09409	2.9
189.11171	20.8
189.12747	3.1
191.10675	4.4
191.14258	2.6
193.12207	8.2
197.08046	2.3
197.13271	1.9
199.09586	5.3
199.11310	1.6
199.13091	2.7
201.14822	3.8
205.12276	9.3
207.13690	3.0
211.13152	3.1
219.13747	2.4
221.11682	4.1
223.13260	70.9
224.13902	1.4
226.11864	3.8
227.12769	11.7
227.17781	2.0
229.14191	3.5
229.19386	3.5
239.12733	3.2
239.17943	7.0
242.15042	3.6
245.19022	3.2
249.14944	1.7
255.15709	7.4
257.18985	12.1
271.17010	1.7
273.18451	14.2
274.19043	2.0
275.17017	3.6
275.20029	70.4
276.20322	4.2
279.15988	1.9
283.15430	1.7
283.19019	2.3
289.18018	3.5
290.18610	2.4
291.19485	27.2
292.20065	2.2
293.21063	37.5
294.21515	2.0
295.15399	6.2
297.16916	2.1
307.18921	2.7
309.20700	2.3
311.22092	5.8
338.13846	1.8
347.22000	10.8
349.23697	13.5
360.16013	1.5
365.23190	6.2
367.24847	9.8
381.22586	6.7
381.26703	3.1
399.23660	4.9
421.25653	5.0
449.28781	4.1
463.30548	1.7
492.34488	2.8
521.34674	3.8
561.37933	2.7
605.36365	2.2
639.42157	3.0
655.41504	2.1
657.43274	4.8
673.42566	4.0
691.34259	8.2
691.45233	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	692.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.01849	0.3
55.12141	0.1
56.05020	0.1
58.06593	0.5
61.02906	0.1
65.03928	5.1
67.05486	0.4
68.05032	0.2
68.99792	0.2
69.03427	0.1
69.07059	0.1
70.06577	0.7
71.04984	0.3
74.06077	0.7
75.04469	1.3
79.01830	0.1
79.05472	0.5
80.04989	0.1
81.03410	0.3
81.05760	0.1
82.06566	0.6
83.04970	0.1
84.04507	0.3
84.08131	0.4
85.02892	0.7
85.06525	0.1
87.04446	0.5
88.07594	0.4
91.05462	1.4
93.03377	0.4
93.05773	0.1
93.07040	0.3
94.06554	2.0
95.04950	0.7
96.04452	0.2
96.08107	0.7
97.02897	0.2
97.06484	0.2
98.06043	0.2
100.07613	0.1
103.05453	0.6
105.03377	0.4
105.04532	0.1
105.06989	1.0
106.06517	0.2
107.04938	0.4
107.07330	0.7
108.08101	1.8
109.02904	0.1
109.06491	0.4
110.06065	0.2
111.04424	4.2
112.04829	0.1
112.07590	0.2
113.06000	0.1
114.09187	0.1
115.05440	0.8
116.06223	0.1
117.05720	0.2
117.07009	1.0
118.06590	0.2
119.04919	0.7
119.08608	0.2
120.08083	0.6
121.02847	100.0
121.03869	4.9
121.08842	0.3
122.03178	2.0
122.05998	0.1
122.09629	0.2
123.04393	0.2
124.07556	0.6
125.05978	0.2
126.09132	0.4
127.03832	0.2
128.06207	0.6
129.06981	1.5
131.04900	0.5
131.07343	0.5
131.08549	0.3
132.08052	1.2
133.02843	0.4
133.06468	0.6
133.08823	0.1
134.09702	0.5
135.04401	0.3
135.08035	0.3
136.07582	0.3
136.11266	0.1
137.05981	0.6
137.08372	0.1
138.09091	1.2
139.03934	0.2
139.07491	0.1
140.10637	0.5
141.06950	1.0
143.04878	0.3
143.07353	0.2
143.08559	0.5
144.05690	0.1
144.08075	1.6
145.06454	0.9
145.08832	0.6
145.09889	0.1
146.05983	0.2
146.09636	1.5
147.04390	0.6
147.08052	0.4
147.10240	0.1
148.07550	0.4
149.04971	0.1
149.05933	0.5
149.08310	0.1
150.09109	0.4
151.03876	0.1
151.09959	0.1
151.80382	0.1
152.06128	0.3
152.07195	0.2
153.05550	0.2
153.06976	0.6
154.08652	0.1
155.04893	0.1
155.06046	0.1
155.07481	0.1
155.08533	0.6
156.08136	0.2
156.10243	0.2
157.06476	0.4
157.08833	0.3
157.10094	0.2
158.09599	0.8
159.04454	0.2
159.08000	0.6
160.05339	0.1
160.07552	2.1
160.11183	0.2
161.05983	0.6
161.08272	0.2
162.09103	0.8
163.03885	0.2
163.07555	0.2
164.07063	0.1
164.10715	0.5
165.05484	0.3
165.07005	1.0
166.07758	0.4
167.07350	0.1
167.08513	0.7
168.08025	0.2
169.06497	0.5
169.08859	0.4
169.10147	0.2
170.07294	0.2
170.09630	1.5
171.08023	0.5
171.10400	0.3
172.07565	0.3
172.11214	0.2
174.05489	0.4
174.09100	0.6
175.07567	0.2
175.09845	0.1
176.07077	0.2
176.10683	0.5
177.05412	0.6
177.06755	0.1
177.09111	0.1
178.07672	1.4
178.12218	0.2
179.08516	2.0
180.10327	0.2
181.05119	0.1
181.06389	0.5
181.10078	0.5
182.07246	0.2
182.09674	0.4
183.08029	0.4
184.07516	0.2
184.11270	0.2
185.05943	0.4
185.09605	0.2
186.09108	0.7
187.03825	0.2
187.07570	0.2
187.09824	0.1
188.07080	0.4
188.10727	0.7
189.05496	0.1
189.07098	0.3
189.11377	0.2
190.07809	0.6
190.12286	0.2
191.08481	1.1
192.09348	0.3
193.06560	0.2
193.10100	1.2
194.07289	0.3
194.09653	0.2
194.11798	0.2
195.08041	1.0
195.09933	0.1
195.11697	0.3
196.11128	0.2
197.05966	0.3
197.09688	0.5
198.07147	0.1
198.09045	0.6
199.07555	0.3
200.10674	0.4
201.09082	0.2
202.07808	0.5
202.12216	0.3
203.08553	1.3
204.09468	0.3
204.13809	0.1
205.06598	0.2
205.10103	1.1
206.07285	0.6
206.09438	0.1
207.06361	0.2
207.08072	1.5
207.11832	0.2
208.08810	0.4
208.11188	0.4
208.13066	0.2
209.06056	0.2
209.09605	1.1
210.06776	0.1
210.08972	0.2
210.12794	0.2
211.07556	0.4
211.11172	0.3
212.10709	0.4
213.09242	0.1
214.08835	0.1
214.12318	0.4
215.08615	0.3
217.06691	0.1
217.10182	0.2
218.07312	0.3
218.09599	0.2
218.11749	0.2
219.08052	1.0
219.10069	0.1
220.08905	0.4
220.11241	0.4
220.13365	0.3
221.06157	0.1
221.09572	2.0
221.11758	0.1
222.11198	1.1
223.07683	0.6
223.11378	0.6
224.08453	0.2
224.10713	0.4
225.09131	0.7
226.12262	0.3
227.10773	0.2
228.10245	0.2
231.08070	0.8
231.10320	0.2
232.08838	0.3
232.11237	0.3
233.09648	0.9
233.11693	0.2
234.06822	0.2
234.08977	0.1
234.12755	0.3
235.07556	1.0
235.11397	0.5
236.08199	0.4
236.10768	0.4
237.09120	1.0
237.11266	0.1
238.09824	0.3
238.12256	0.4
239.06955	0.2
239.10732	0.8
241.08569	0.2
242.11761	0.2
245.09871	0.1
246.12695	0.3
247.07625	0.5
247.09810	0.2
247.11240	0.1
248.08252	0.3
248.10747	0.7
249.09082	1.8
249.11368	0.2
250.09927	0.2
250.12222	0.9
251.07007	0.1
251.10629	0.7
251.12860	0.2
252.07819	0.3
252.10077	0.2
252.13725	0.2
253.08595	0.7
253.12196	0.4
254.09190	0.1
254.11818	0.4
255.10175	0.3
256.13443	0.2
259.07654	0.2
260.08218	0.2
260.10757	0.3
261.09103	0.5
261.11511	0.2
262.12332	0.5
263.07251	0.1
263.10641	0.7
263.13065	0.2
264.10056	0.2
264.13809	0.3
265.08508	0.4
265.12140	0.2
266.09311	0.1
266.11731	0.6
267.10071	1.1
267.12488	0.2
268.10690	0.2
268.13354	0.5
269.11703	0.3
274.12204	0.5
276.10352	0.2
277.08426	0.6
277.11215	0.2
278.11703	1.0
279.10089	0.6
279.12506	0.2
280.13327	0.5
281.11633	0.7
282.11749	0.2
282.14938	0.4
283.09845	0.1
283.13107	0.1
284.12878	0.3
285.11169	0.1
286.14478	0.2
289.08630	0.2
290.11777	0.1
291.09937	0.2
292.13272	0.6
293.11484	0.2
294.11719	0.1
294.14951	0.3
295.09518	0.3
295.12927	0.1
296.12854	0.4
296.16217	0.2
297.10977	0.2
298.14273	0.2
300.13361	0.2
302.11746	0.4
306.11276	0.2
306.14804	0.2
307.12189	0.1
308.12805	0.2
309.11176	0.4
310.11179	0.2
310.14297	0.7
311.12589	0.2
312.15955	0.2
313.14243	0.2
314.14044	0.1
314.17465	0.2
320.12738	0.6
321.10950	0.2
322.14340	0.2
323.12607	0.1
324.15799	0.8
326.13773	0.2
327.12259	0.3
328.15445	0.4
329.16339	0.1
334.14215	0.3
338.13812	0.5
338.17496	0.1
340.15323	0.2
341.13937	0.2
342.16965	0.8
344.14734	0.1
346.20337	0.2
352.15479	1.1
356.18527	0.8
358.16531	0.3
359.14883	0.2
360.18167	0.3
366.17099	0.3
370.16461	0.9
374.19583	1.1
376.17599	0.2
384.17993	1.3
388.17368	0.5
398.19803	0.1
402.19028	1.5
412.17557	0.4
416.15363	0.2
416.20682	0.8
420.20087	0.6
434.21671	1.1
452.22733	0.4
458.16074	0.2
462.20508	0.5
476.23050	0.2
478.18222	0.1
480.20337	0.2
490.18353	0.5
494.22034	0.9
496.19778	0.2
504.20349	0.2
508.19400	0.2
512.22772	1.0
522.21167	2.5
523.21765	0.2
540.21759	0.6
554.23712	3.2
555.24078	0.2
572.24695	2.7
573.25378	0.1
582.22839	0.5
600.24365	0.4
614.25903	3.6
615.26221	0.3
632.26904	10.0
633.27081	0.9
674.27875	0.2
692.28949	78.5
693.29315	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
56.05029	1.4
58.06595	5.2
65.03939	3.5
65.04221	0.6
67.05502	0.9
69.39828	2.7
70.06590	1.7
71.04977	1.9
75.04494	0.7
79.05470	1.0
81.03400	1.4
82.06587	0.7
85.02912	0.7
91.05476	2.3
94.06567	1.5
95.04964	0.8
96.17162	0.6
97.06551	0.7
105.07041	2.0
107.04985	0.8
108.08099	2.2
109.02872	1.7
109.06559	0.8
111.04433	3.1
112.07619	0.9
113.05967	0.7
115.05406	1.0
117.03409	0.8
117.07005	1.5
119.04915	0.6
121.02850	73.1
121.03893	2.5
121.06438	1.1
121.95080	0.6
122.03204	1.5
122.06053	0.8
122.09686	1.2
123.04461	1.2
127.03899	1.0
128.06232	0.9
129.07016	2.0
131.04927	0.7
131.07249	1.0
133.06473	0.9
134.09624	0.8
137.02328	25.6
137.03458	1.7
137.05977	1.0
138.09158	1.6
140.07094	0.8
141.06966	0.8
144.08058	0.8
145.02805	1.5
145.06580	1.5
146.09645	1.9
147.04410	1.0
147.08026	0.9
148.07576	0.7
149.06018	0.9
155.08566	1.3
158.09671	1.2
159.08040	0.9
160.07550	1.1
160.11192	1.4
163.07507	0.9
164.10684	0.8
165.07047	1.5
167.08575	1.2
169.06450	0.7
171.07990	0.6
174.09193	1.6
177.05493	4.1
177.09175	0.9
178.07724	0.8
179.07156	0.8
179.08577	2.4
179.73393	0.6
180.10262	0.9
181.06520	0.8
181.10179	1.0
183.08067	1.1
188.10686	0.7
188.19640	0.6
191.08553	1.3
192.09264	0.9
193.10152	1.0
194.07185	0.8
195.08026	1.2
197.09599	0.9
203.08531	1.5
205.06599	0.8
205.08385	0.8
205.10193	1.8
207.08136	1.3
209.09618	1.4
213.09120	0.6
215.08694	0.9
217.10275	0.8
218.07233	0.8
219.08153	1.7
221.09621	2.5
223.11241	1.2
233.09583	2.3
235.07613	1.1
235.11226	1.0
237.09184	1.2
238.12338	0.7
239.10513	0.7
248.10609	0.8
249.09061	1.0
251.10661	1.4
253.08562	1.4
261.09058	0.7
262.12228	1.3
263.10623	0.8
264.14157	0.8
265.12036	0.8
292.13318	1.0
293.11853	0.8
298.14325	0.8
324.15939	0.7
336.16083	0.6
368.18430	1.0
384.17786	1.2
412.17419	2.3
416.20654	1.5
434.21466	1.2
444.20578	0.9
490.19479	0.9
496.20053	0.9
522.21301	1.8
554.23877	4.5
572.24817	4.0
596.25488	0.8
614.26233	3.9
632.27032	12.1
633.27216	1.1
692.28882	100.0
693.29437	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	692.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70060	0.3
55.01855	0.7
55.05491	0.4
56.05013	0.6
58.06594	12.4
65.03930	4.2
66.18014	0.4
67.05487	1.2
69.03414	0.5
69.07056	0.5
69.18647	1.0
69.19054	1.2
70.06585	0.9
72.08130	0.7
79.05471	1.1
80.04995	0.6
81.03381	0.4
81.07032	0.5
82.06561	0.4
84.08149	0.9
85.02878	0.7
86.06061	0.4
87.04452	0.9
89.87614	0.4
91.05462	1.7
92.05708	0.3
93.06999	0.7
95.04951	0.7
95.08584	0.6
96.08120	0.7
98.05985	0.4
103.05434	0.5
105.03387	0.5
105.07011	0.8
105.26022	0.4
107.04977	0.6
108.08125	1.7
110.09634	0.7
111.04430	4.1
112.07607	0.6
114.09196	0.5
115.05463	0.7
117.07000	1.3
119.04948	0.7
121.02851	100.0
121.03876	3.8
122.03178	1.5
122.09645	1.6
128.06139	0.4
129.06981	1.9
131.08539	0.6
134.09575	0.6
135.04385	0.8
137.05965	0.8
138.09128	1.9
140.10744	0.4
141.06985	0.7
145.02803	0.9
145.06453	1.1
146.09636	1.3
147.04396	1.3
147.50517	0.4
152.06255	0.4
153.05608	0.4
153.06972	1.0
155.08565	0.9
158.09622	1.3
160.11217	1.1
161.06009	0.7
162.09244	0.4
164.10658	0.8
165.05586	0.4
165.06984	1.0
166.07700	0.5
167.07126	0.4
167.08528	1.0
169.06459	0.7
171.10526	0.4
172.11223	0.9
174.09093	1.8
176.10709	1.3
177.05469	2.6
178.07782	1.1
179.08440	1.7
181.10130	0.8
184.11214	0.4
185.05994	0.5
188.07008	0.7
188.10699	0.5
191.08493	0.6
192.09254	0.4
193.10153	1.0
195.08014	0.7
197.05913	0.5
197.09573	0.7
200.10721	0.5
201.11436	0.4
202.12274	0.5
203.08582	1.2
205.10118	1.1
207.08040	1.4
209.09660	0.7
219.08040	1.0
220.13190	0.5
221.09560	2.0
222.11218	0.5
223.07550	0.9
223.11116	0.6
225.09207	0.8
231.08089	0.6
233.09630	1.2
235.07570	1.0
237.09071	0.9
239.10574	0.6
249.09096	1.7
250.12344	0.6
251.10658	0.5
253.08417	0.5
253.12202	0.5
261.09171	0.5
265.08618	0.5
267.10107	1.0
268.13464	0.5
274.12341	0.5
277.08588	0.6
279.10226	0.4
280.13284	0.8
281.11667	0.5
298.14413	0.6
310.14227	0.4
324.15924	0.4
341.86066	0.4
342.17050	0.7
352.15530	1.1
354.16837	0.5
356.18491	1.0
384.18091	1.0
386.19818	0.5
402.19107	1.2
412.17480	1.1
416.20480	0.8
434.21786	1.3
494.22046	1.7
512.23090	0.8
522.21014	1.2
554.23773	2.9
572.24597	2.1
614.25812	2.7
632.26843	8.3
692.28967	88.9
693.29431	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.4
53.03932	1.6
53.65808	0.3
55.97572	0.3
56.05025	0.7
58.06598	0.6
67.96881	0.3
69.03418	0.4
69.47201	0.4
69.67601	0.6
69.67968	0.7
70.06556	0.3
71.04984	0.8
74.06059	1.0
77.03490	0.5
77.03934	1.7
79.05458	1.7
81.03404	0.4
81.07042	0.7
82.06562	0.5
86.06055	0.4
91.05474	1.9
93.07024	1.0
94.06573	0.4
95.04959	8.8
96.08109	0.5
103.05433	0.4
105.03382	54.7
105.04394	2.9
105.07000	2.1
106.03713	1.3
107.04848	0.3
107.08598	0.4
108.08096	0.9
110.06038	1.3
112.07636	0.4
114.05536	0.4
116.07093	0.4
117.06999	0.6
118.06532	0.4
119.04917	0.6
119.08560	0.7
121.06519	0.8
124.07591	0.6
128.06227	0.5
129.07013	1.2
131.07269	0.6
131.08569	1.1
132.08093	0.8
136.07539	0.8
137.02428	0.3
141.07019	0.5
143.08540	1.6
144.06747	0.3
144.08095	0.9
145.06433	0.7
145.08885	0.6
146.09677	1.5
147.06856	0.3
147.07977	0.8
148.07559	0.7
150.09125	0.5
153.07063	0.4
155.08522	2.3
157.08916	2.1
157.10069	0.6
158.09619	5.1
159.08080	0.7
160.07567	0.6
160.11243	0.6
162.09143	0.7
165.06961	0.6
167.08556	1.1
169.10138	0.5
171.08058	1.2
172.11180	0.5
174.09129	2.1
176.10709	0.5
178.07803	1.0
179.08595	1.9
180.09259	0.6
181.10133	1.8
182.09644	0.3
186.09224	0.4
188.10677	0.4
191.08614	1.0
192.09236	2.0
193.10130	3.1
194.07578	0.3
195.08032	0.7
195.11745	0.8
196.11169	0.8
197.09529	0.6
200.10736	0.6
202.07695	0.6
203.08456	1.7
204.09369	1.0
205.10097	1.7
206.10931	0.8
207.11725	2.8
208.11171	0.8
209.09552	0.5
209.13344	1.0
212.10551	0.4
215.08595	0.5
216.09422	0.6
217.10165	1.1
218.10866	2.5
219.11652	2.9
221.09711	0.6
221.13306	2.1
222.12747	0.4
224.10698	0.8
228.09396	0.8
231.11665	1.5
233.13260	3.4
234.12910	0.5
235.11147	0.8
235.14842	0.5
237.12817	0.5
240.14110	0.4
243.11755	1.4
244.11317	0.7
245.09471	0.6
245.13297	0.8
246.10385	0.9
246.12781	0.6
248.14441	0.5
249.12788	1.8
249.15033	0.4
250.12422	0.5
251.14296	1.1
258.12900	0.9
259.13608	1.0
260.14340	0.4
261.12625	2.1
262.12753	0.4
262.15918	1.1
263.14322	0.5
264.17517	0.9
266.15326	0.5
272.14517	0.7
273.15115	0.5
274.15869	5.7
276.13834	0.8
279.13858	0.5
282.18430	0.4
290.15375	1.1
291.16342	0.5
292.16949	4.4
302.15543	1.1
308.16614	0.8
310.14676	0.4
310.17932	1.9
318.14923	0.4
320.16391	3.8
334.18082	1.4
338.17386	3.2
350.17813	0.5
352.19037	2.2
362.17624	0.8
380.18588	2.0
394.19855	0.7
395.41626	0.4
398.19543	3.4
440.20535	3.0
440.25958	0.4
458.22177	0.4
482.21600	0.4
500.22672	1.3
502.22153	1.3
544.23541	0.7
562.24493	1.4
570.26923	0.9
583.44342	0.3
604.25079	2.2
622.26501	4.0
623.26935	0.4
632.28717	1.5
692.30524	100.0
693.30884	9.8
723.57349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.8
55.05503	44.7
57.03424	15.4
58.06579	8.9
61.02900	10.5
65.03918	4.4
67.05494	40.0
67.07122	4.3
69.03415	11.5
69.07056	22.8
70.94569	6.3
71.04966	8.9
71.51574	3.7
73.02929	4.2
77.03911	4.5
79.05480	58.1
81.03406	75.5
81.07040	52.8
83.04976	18.5
83.08608	62.4
85.02908	33.0
85.06535	4.3
91.03937	4.8
91.05470	64.2
93.07025	55.2
95.04961	55.7
95.08590	26.3
95.90393	3.8
96.27185	3.9
97.02867	10.5
97.06506	12.7
99.04472	4.7
105.03391	33.0
105.04492	4.5
105.07009	40.9
106.03709	10.8
107.04954	26.5
107.08575	36.4
108.45596	3.5
109.06506	15.7
109.10151	11.0
111.04435	5.4
111.08068	22.1
113.05993	5.1
117.06994	21.5
119.08591	41.9
121.02842	13.2
121.06488	21.4
121.10154	25.3
123.08022	8.7
125.05972	4.6
125.09612	6.4
129.06996	15.9
131.08568	30.5
133.06461	9.0
133.10127	24.2
135.08057	34.0
135.11684	7.3
137.09596	14.2
141.06934	7.9
143.08560	5.6
145.06425	3.7
145.10098	21.9
147.08044	8.6
147.11699	15.8
149.09593	58.1
151.11156	9.5
155.08549	4.2
157.01213	5.0
157.10106	19.2
159.11671	8.2
163.07512	6.7
163.11165	35.2
165.09102	4.5
165.12694	5.1
169.08685	7.3
169.10100	8.6
175.11151	17.9
177.09077	12.6
183.11731	4.2
187.11227	8.9
187.14847	5.9
193.12201	44.2
201.16328	14.0
211.13214	64.4
211.14851	9.4
229.15819	30.8
247.16916	79.5
257.17102	3.7
265.18088	7.3
267.15985	33.8
283.15250	8.9
285.16907	63.8
321.20566	89.4
339.21622	26.1
358.15436	3.6
358.75247	3.8
385.23193	3.5
459.27200	21.4
477.28659	25.4
495.22076	100.0
495.29318	53.2
496.22711	7.0
538.27667	5.2
632.29468	7.3
692.32764	78.8
693.31482	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	692.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	30.7
57.03432	16.1
58.06579	11.4
61.02923	7.5
67.05497	38.6
69.03411	12.9
69.07066	18.6
71.04979	8.0
72.67977	3.6
79.05484	46.9
81.02949	6.3
81.03406	86.9
81.07044	45.1
83.04987	19.6
83.08598	44.7
85.02899	36.1
85.06514	4.1
87.04443	4.3
87.29471	3.3
91.03904	6.0
91.05466	50.9
93.07034	42.7
95.04956	52.9
95.08610	24.3
96.05318	3.8
97.02879	8.8
97.06499	12.4
97.10137	6.7
99.08041	3.6
105.03387	42.4
105.04490	5.1
105.07021	41.3
106.03707	12.7
107.04974	17.7
107.08565	28.9
108.05215	3.1
108.08148	5.0
109.02827	4.3
109.06483	11.4
109.10145	11.9
111.04416	4.4
111.08057	10.3
115.05487	4.1
115.46515	3.3
117.06983	12.5
119.08572	36.2
121.02833	15.5
121.06488	12.0
121.10120	20.9
122.17056	3.9
123.08055	6.0
123.11655	5.5
125.09631	5.3
129.05499	3.3
129.07002	15.7
131.08527	29.7
133.06453	9.6
133.10114	26.0
134.57941	3.7
135.08061	25.1
135.11684	7.5
137.09590	9.4
138.79646	3.7
142.07774	5.5
143.08528	3.8
145.06493	4.7
145.10144	15.5
147.08003	8.8
147.11650	20.8
149.09592	38.0
157.10071	20.7
159.08028	3.5
159.11714	4.6
163.07463	4.3
163.11157	16.3
165.12665	5.5
169.10214	4.0
175.11188	17.8
176.11580	3.5
177.09091	7.3
184.72809	3.2
185.11719	5.2
189.11099	3.9
193.12198	55.0
201.16364	7.6
203.14380	3.3
211.13243	92.8
211.14737	3.5
219.17485	4.8
229.15851	10.7
247.16901	41.2
265.17963	8.3
267.15884	37.6
283.15329	14.6
285.16910	67.2
287.14923	5.4
321.20596	48.8
339.21765	12.4
385.23642	7.2
459.27411	34.9
477.28476	34.0
494.29352	3.4
495.22083	47.4
495.29321	78.2
506.24829	4.1
510.24002	4.5
538.27863	7.4
632.29456	5.8
645.97192	4.4
692.32532	100.0
693.30438	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	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
54.45422	1.6
55.01861	6.3
55.05244	2.7
55.05497	23.5
57.03175	1.8
57.03432	20.0
58.06592	8.2
59.04983	2.5
61.02907	6.4
65.03930	2.2
67.05491	34.6
68.05833	2.5
69.03416	19.4
69.07061	12.9
70.07397	2.0
71.04984	6.8
73.02913	4.2
73.08216	1.4
79.05481	42.7
80.05815	3.4
80.11775	1.5
81.03407	88.4
81.07040	41.9
82.07382	2.1
83.04967	26.6
83.08608	32.0
84.05289	2.0
84.08890	1.4
85.02893	38.2
85.06525	4.0
91.03954	2.3
91.05468	50.2
91.88801	1.4
92.05820	3.2
93.07034	32.0
94.07372	2.9
95.04957	43.8
95.08589	21.7
96.08952	3.1
97.02873	38.9
97.06519	6.9
97.10149	5.0
98.03238	4.0
105.03382	7.1
105.04505	2.2
105.07010	44.0
105.07723	2.2
106.03687	2.7
106.07361	2.2
107.04935	12.0
107.08577	18.1
108.08919	1.9
109.06490	12.6
109.10130	6.9
111.04451	8.2
111.08061	19.6
113.05973	2.9
115.03906	18.7
115.05411	2.0
116.04252	4.2
117.06987	8.4
119.08556	31.3
120.89133	1.4
121.02838	3.9
121.06451	9.3
121.10110	17.6
122.10428	2.1
123.08059	5.6
123.11703	3.8
125.09621	3.7
127.03949	2.5
129.06993	17.6
131.08551	24.5
132.08875	2.5
133.06474	5.5
133.10104	26.4
135.08041	9.6
135.11691	4.8
137.09610	4.2
142.07787	3.4
145.06458	1.8
145.10080	9.5
146.10388	1.9
147.08049	6.4
147.11678	25.2
148.12035	1.7
149.09602	12.0
151.11183	4.9
157.04944	28.7
157.10107	21.1
158.05286	5.2
158.10439	1.8
159.08105	2.7
159.11613	4.1
161.09666	2.3
163.11154	7.4
165.12732	5.3
175.06050	3.8
175.11151	24.4
176.06367	2.1
193.12206	53.4
207.13747	1.9
211.13258	83.5
212.13654	2.5
247.16881	3.4
255.12437	2.5
257.19016	3.4
258.19382	2.9
267.15863	37.7
275.20032	20.8
276.20401	19.4
283.15244	2.3
285.16904	78.8
286.17374	2.5
287.05475	19.9
288.05746	18.4
293.21143	3.1
294.21597	2.9
315.17822	2.0
321.20444	3.4
349.23703	38.9
350.23999	73.3
351.24344	1.7
367.22522	2.7
385.23560	4.2
405.75519	2.0
433.26120	2.2
459.27399	24.2
477.28436	35.3
495.29498	100.0
496.29541	6.5
510.12686	1.8
512.29675	1.9
692.33173	15.1
693.30627	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77890	0.8
53.03930	3.2
54.43684	0.8
55.01860	4.2
55.05252	1.4
55.05508	16.9
57.03175	1.3
57.03431	15.1
58.06579	1.7
61.02904	3.9
62.40492	0.8
65.03917	1.7
67.05155	1.5
67.05496	25.5
69.03425	5.9
69.07054	8.7
69.10442	6.8
69.73137	0.9
70.32592	0.9
71.01354	1.2
71.04977	4.0
73.02914	1.9
77.03912	1.7
79.05482	34.2
81.03408	79.5
81.06550	1.5
81.07047	32.7
83.04972	20.3
83.08609	28.9
85.02895	35.4
85.06536	2.8
91.03951	1.4
91.05470	38.6
93.07032	20.2
95.04955	34.0
95.08594	12.7
97.02876	7.2
97.06506	4.8
97.10161	4.4
98.22594	1.7
105.03390	10.8
105.06332	1.9
105.07014	28.1
106.03710	3.9
107.04948	9.1
107.08588	7.0
108.08070	1.0
109.06503	6.2
109.10154	2.6
111.04426	3.4
111.08075	10.9
113.05991	2.8
115.05415	2.4
116.15643	0.9
117.06982	2.7
119.04943	1.5
119.08562	20.5
121.06474	1.5
121.10126	10.9
123.08038	3.3
123.11708	1.8
125.09630	2.5
129.06993	14.4
131.08553	14.1
133.06465	2.9
133.10115	13.3
134.64404	1.1
138.09134	1.3
142.07738	2.8
145.10059	2.2
147.07999	2.9
147.11665	19.1
149.09612	7.3
157.10107	16.2
158.10483	1.1
165.12723	2.7
175.09653	1.5
175.11157	17.4
178.75049	1.0
193.12215	57.9
194.12459	2.0
204.09032	1.0
211.13261	100.0
212.13602	2.6
247.16861	2.4
249.14853	1.7
267.15881	40.6
269.14682	0.9
285.16925	88.6
286.17239	4.3
321.20483	2.1
367.22562	3.6
385.23706	4.8
433.25455	1.7
441.26157	1.0
444.33029	2.7
459.27319	19.0
460.27689	2.1
477.28485	25.1
478.28580	1.4
495.29456	68.1
496.29510	4.5
546.78314	1.0
632.29211	2.1
692.31647	24.8
693.31476	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69668	0.4
53.03917	0.4
55.01851	0.7
55.05495	1.3
58.06586	1.1
67.05489	1.7
69.03435	0.4
69.07053	1.1
69.26175	2.1
78.79089	0.3
79.05473	2.2
81.03414	0.6
81.07050	3.2
83.04983	0.9
83.08608	0.7
91.05443	2.0
93.07038	1.8
95.04948	1.8
95.08598	0.8
97.06538	0.6
99.64256	0.3
102.59521	0.4
104.04974	0.5
105.03397	0.7
105.06994	1.0
107.04944	0.8
107.08541	0.9
109.06494	1.0
109.10149	0.4
116.04952	1.1
117.05783	0.4
117.06924	0.5
119.08568	1.1
120.04441	2.4
121.02845	6.0
121.10127	0.9
128.04955	1.7
129.04462	3.4
130.04010	0.9
130.06444	0.4
131.06079	0.4
131.08549	0.6
132.04433	3.0
133.02835	1.7
133.10097	0.8
134.06006	1.0
135.11662	0.6
137.05960	0.8
144.04433	0.4
145.05215	1.6
145.10126	0.5
146.05974	1.5
147.05511	1.5
147.08029	0.4
147.11578	0.4
149.09610	0.5
155.05957	0.4
160.03957	0.4
165.05467	1.0
170.04709	1.2
171.05505	1.6
172.03906	42.5
173.04478	1.3
174.05537	0.5
181.04088	0.4
187.04997	1.6
188.03374	3.2
190.04987	1.0
197.03493	0.6
199.04977	2.1
204.87106	0.4
206.04454	1.0
207.65854	0.5
213.06621	0.5
232.05981	2.2
260.08115	0.4
272.08163	0.6
273.18332	0.5
275.20093	0.8
291.19434	0.9
293.21161	0.5
300.07593	8.3
301.08395	33.1
302.08801	1.5
316.07111	20.0
317.07486	1.1
332.10303	0.9
360.09726	100.0
361.10037	4.6
566.20654	0.4
693.19183	1.3
706.19891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.2
58.06578	1.9
61.07450	1.6
67.05483	6.0
68.93557	1.6
69.07057	2.8
79.05480	7.1
81.07041	11.4
91.05477	5.9
93.07051	4.6
95.04935	3.8
95.08604	3.2
105.07033	4.5
107.08582	3.2
109.06493	3.1
109.10155	2.6
111.04369	2.3
111.15536	1.5
119.08605	5.2
121.10114	3.6
123.08163	1.5
125.09613	2.0
133.10147	1.9
145.10136	1.8
146.81662	1.6
157.10045	1.7
214.29150	1.8
248.07613	1.7
250.12137	2.2
252.10185	2.2
253.11040	4.1
264.10123	2.1
265.10956	5.6
266.08228	4.9
266.11606	2.3
268.09579	2.5
268.13510	1.7
271.02426	2.8
273.18481	2.6
279.09067	2.8
280.09613	11.3
281.10217	16.3
282.07721	3.8
282.10971	1.6
291.19504	4.3
292.09616	2.5
293.10458	4.8
294.07599	7.8
294.11813	2.1
295.11929	4.0
296.09204	6.7
296.12659	31.1
307.12009	3.3
308.09137	17.4
309.09927	8.4
309.13675	2.7
310.07056	12.9
310.10742	5.1
310.14081	1.5
322.10785	6.6
323.11542	7.1
324.08597	18.6
324.12164	85.6
325.09311	4.9
325.12842	5.1
338.10092	4.7
338.13864	22.8
339.10995	5.7
339.14609	100.0
340.11697	35.0
341.12076	3.3
353.16138	31.1
354.13284	53.9
354.17450	3.2
355.13721	5.8
368.14822	8.9
588.67737	1.9
588.78589	1.8
632.21423	2.6
663.23285	5.8
678.25433	14.6
679.26117	2.3
693.27740	87.5
693.38037	6.0
694.27814	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	693.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05499	1.4
57.03432	1.4
58.06599	0.5
60.01579	0.5
61.02914	3.4
67.05490	1.9
69.03419	2.6
69.07071	0.8
69.12212	1.7
69.12621	1.3
71.04984	1.0
73.02907	2.3
75.98779	0.4
79.05478	2.3
81.03419	2.2
81.07051	2.6
83.01321	0.6
83.04974	1.5
83.08607	1.2
85.02902	3.5
87.04436	0.6
91.03952	1.7
91.05470	1.8
93.07037	3.1
95.04977	2.1
95.08604	0.8
97.02868	3.3
97.06528	0.5
99.04455	0.8
101.02357	1.2
103.03959	0.6
105.03377	8.8
105.04490	0.5
105.07021	1.7
106.03720	1.1
107.04971	1.0
107.08553	1.1
109.02887	0.6
109.06493	0.5
111.76014	0.5
117.07030	1.2
119.08615	1.3
121.06521	0.8
121.10157	0.5
123.08060	1.0
127.03910	1.0
131.08566	0.5
135.11697	1.2
137.09592	0.7
145.10109	1.8
148.04884	0.4
155.08636	0.5
159.09985	0.9
163.11208	3.1
173.09535	1.1
174.09125	0.5
180.93678	0.5
181.12062	0.5
193.09976	0.5
204.17548	0.5
215.08714	0.4
231.08232	0.6
234.13231	0.6
243.08386	1.4
249.11012	0.6
275.16388	0.6
285.11008	0.6
292.16977	0.7
399.20041	0.5
433.71567	0.6
467.18777	11.1
623.26764	1.1
693.30823	100.0
694.31207	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	693.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01866	0.8
55.05500	1.1
57.03437	1.5
58.06580	1.2
61.02908	2.3
67.05491	2.3
69.03416	1.8
69.07044	0.7
70.17470	1.4
73.02909	1.9
79.05479	2.3
81.03406	2.8
81.07041	1.6
83.01366	0.6
83.08614	0.7
85.02895	2.0
91.03915	0.8
91.05486	2.4
93.07033	2.7
95.04966	4.8
95.08573	1.0
96.05312	0.7
97.02873	2.7
97.10226	0.6
99.04436	0.8
101.69982	0.6
104.00553	0.7
105.03378	13.4
105.04504	1.5
105.07037	1.8
106.03740	4.0
107.04973	0.8
107.08591	1.1
109.06528	0.7
109.10122	1.0
117.06998	1.4
119.08563	1.8
121.06468	0.6
121.10124	1.0
127.03886	0.9
129.07022	1.0
131.08598	0.6
135.11679	2.2
143.08528	0.8
145.10133	2.5
158.09572	1.0
159.22858	0.7
163.11217	2.0
181.12398	0.8
227.12730	1.7
243.08504	1.0
249.10934	3.8
267.16037	0.7
274.15967	0.7
275.16260	0.9
293.17349	1.6
305.13629	1.7
447.27444	2.1
457.74207	0.8
466.34500	0.8
467.18863	9.3
503.22812	0.8
609.60352	0.6
623.26617	0.9
692.33862	0.8
693.30780	100.0
694.31274	6.3
712.94623	0.8
715.11218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15685	0.6
58.06548	1.4
67.05433	1.2
67.20838	0.5
67.29401	0.5
69.03394	0.6
69.07003	0.5
69.78937	1.2
69.79293	0.7
70.34617	0.5
78.37773	0.5
79.05434	0.6
79.26318	0.5
81.03355	0.5
81.06996	1.5
83.08525	0.6
91.05396	1.0
95.04903	0.8
95.08540	0.7
105.06944	0.6
107.04911	0.7
107.08532	0.5
109.06449	0.5
109.10095	0.5
112.76830	0.4
121.10027	0.6
166.63744	0.5
167.70712	0.6
215.14404	0.5
237.09004	0.6
249.07498	0.6
249.11418	0.6
250.08569	0.8
251.06938	0.6
251.09053	1.0
251.10738	0.6
252.10109	1.0
262.08652	0.6
263.09375	0.7
264.10205	2.1
265.08371	0.7
265.10980	1.8
266.11627	3.0
267.09915	1.0
267.12558	0.9
277.07846	0.5
277.10974	1.2
278.08066	1.6
278.11685	2.2
279.09610	1.8
279.12473	6.9
280.09656	19.0
280.12802	0.7
281.10098	1.1
282.12259	0.7
292.09653	3.5
292.12711	0.7
293.10403	2.0
293.13724	0.8
294.07574	2.4
294.11188	10.7
295.08334	2.3
295.11929	7.8
296.09134	0.9
296.12643	0.6
306.07727	0.9
306.11154	2.0
307.08774	0.7
307.11984	10.2
308.09082	9.8
308.12717	2.2
309.09760	1.3
309.13498	4.8
310.10617	6.9
310.14264	5.4
311.11331	0.6
320.09238	0.6
321.09909	0.8
322.07123	0.9
322.10654	18.0
322.57147	0.7
323.07748	1.2
323.11304	7.2
323.14816	0.7
324.08551	5.2
324.12177	4.6
324.15881	2.2
325.12756	0.7
327.12177	0.6
336.12189	1.8
337.09525	0.7
337.13049	4.3
338.10092	11.5
338.13760	71.2
339.10699	3.7
339.14258	3.2
340.11563	1.6
351.12067	0.7
352.11710	3.2
353.16144	100.0
354.13126	21.8
354.16663	2.4
355.13696	1.3
368.14847	56.7
369.15005	5.0
421.75842	0.5
485.18896	0.5
496.29984	0.7
602.18097	1.2
605.20032	0.6
631.25293	2.2
632.23853	1.0
643.27722	0.6
647.25024	6.3
648.25256	1.1
650.26819	1.9
662.26904	4.8
663.26788	2.5
678.29169	6.1
679.30377	0.5
693.31464	45.9
694.31671	4.1
694.51801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05509	1.4
57.03435	1.5
58.06598	2.1
58.99563	0.6
59.91776	0.6
60.42892	0.6
61.02925	4.3
67.05499	4.9
68.35619	0.8
69.03419	1.9
69.07073	1.1
70.43400	0.7
71.04974	0.8
73.02916	1.7
79.05485	4.1
81.03403	5.1
81.07050	7.0
83.04988	1.5
83.08618	1.2
85.02897	5.6
91.03967	2.2
91.05471	4.7
93.07036	3.5
95.04958	3.3
95.08615	2.8
97.02892	3.6
101.02386	1.0
105.03405	2.8
105.04501	0.7
105.07013	3.8
107.04933	0.8
107.08604	1.5
109.06525	1.0
109.10169	1.0
111.64363	0.7
119.08585	3.0
121.10194	0.7
127.03953	0.7
129.06993	0.9
131.08571	1.1
133.10118	1.4
145.10147	0.9
147.11708	2.2
157.10139	1.0
171.11739	1.1
171.88673	0.7
185.04201	0.7
198.83911	0.8
243.08511	2.5
247.13071	1.2
251.12447	0.8
307.15323	1.1
345.41864	0.7
363.82910	0.7
413.17834	0.8
465.21042	3.1
469.20340	5.9
480.30975	0.7
545.37897	0.7
564.51379	0.7
624.31348	0.9
678.29999	0.8
688.44604	0.8
693.34406	100.0
694.35175	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	693.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05509	1.4
57.03435	1.5
58.06598	2.1
58.99563	0.6
59.91776	0.6
60.42892	0.6
61.02925	4.3
67.05499	4.9
68.35619	0.8
69.03419	1.9
69.07073	1.1
70.43400	0.7
71.04974	0.8
73.02916	1.7
79.05485	4.1
81.03403	5.1
81.07050	7.0
83.04988	1.5
83.08618	1.2
85.02897	5.6
91.03967	2.2
91.05471	4.7
93.07036	3.5
95.04958	3.3
95.08615	2.8
97.02892	3.6
101.02386	1.0
105.03405	2.8
105.04501	0.7
105.07013	3.8
107.04933	0.8
107.08604	1.5
109.06525	1.0
109.10169	1.0
111.64363	0.7
119.08585	3.0
121.10194	0.7
127.03953	0.7
129.06993	0.9
131.08571	1.1
133.10118	1.4
145.10147	0.9
147.11708	2.2
157.10139	1.0
171.11739	1.1
171.88673	0.7
185.04201	0.7
198.83911	0.8
243.08511	2.5
247.13071	1.2
251.12447	0.8
307.15323	1.1
345.41864	0.7
363.82910	0.7
413.17834	0.8
465.21042	3.1
469.20340	5.9
480.30975	0.7
545.37897	0.7
564.51379	0.7
624.31348	0.9
678.29999	0.8
688.44604	0.8
693.34406	100.0
694.35175	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	694.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84087	0.5
55.01891	0.6
55.05507	6.1
57.03430	1.3
58.06602	2.3
62.86464	0.5
62.87494	0.5
65.03931	12.3
66.74380	0.4
67.05153	0.9
67.05498	15.0
68.99769	1.7
69.03423	9.8
69.78500	1.5
70.06620	0.6
71.01344	0.6
78.74814	0.5
83.04971	59.6
84.05312	0.7
85.02895	19.5
87.04446	2.3
91.05473	7.8
91.05990	0.9
93.03394	37.0
95.04964	5.2
97.02879	0.7
99.00803	4.0
101.06013	0.8
107.04953	2.0
111.04430	100.0
112.04753	1.4
115.03930	2.3
117.01842	1.5
119.04929	15.3
121.02853	21.7
129.05458	51.0
130.05795	0.7
139.03880	69.4
140.04211	0.7
147.04393	18.3
147.06329	1.1
148.70570	0.5
157.04945	70.3
158.05289	0.9
164.07036	2.7
175.05997	99.0
176.06332	1.5
177.05435	1.3
177.06891	0.8
191.08525	0.6
193.07059	0.9
195.08200	0.6
207.06314	0.7
212.08353	0.7
213.09039	5.8
219.08034	0.9
227.05365	0.6
237.09052	1.2
247.07448	0.5
265.08536	1.0
273.06012	33.4
274.06335	0.9
293.07892	2.5
311.09027	0.9
321.09543	0.8
383.09195	0.7
387.52942	0.6
429.13211	1.3
447.11237	9.8
448.31815	0.6
467.13348	1.2
485.14331	2.2
663.32043	0.5
694.24298	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	694.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60414	0.7
53.03924	1.7
55.05497	10.4
55.47754	0.8
57.03431	5.0
57.07067	3.9
61.02916	27.1
65.03918	1.7
67.05493	58.8
68.05825	1.0
69.03402	3.2
69.06709	1.0
69.07058	11.8
70.68166	1.0
71.04982	2.7
71.08616	1.7
73.02898	9.2
75.04466	1.7
76.36688	0.8
79.05477	39.4
81.03400	1.7
81.07043	65.8
82.07378	1.0
82.24629	0.8
83.04949	1.7
83.08611	7.3
85.02893	31.0
85.06519	2.9
85.10152	0.9
91.03941	25.7
91.05460	20.3
91.06032	1.0
93.07030	51.9
95.04970	4.4
95.08591	53.2
96.04468	0.7
96.08920	1.4
97.02882	15.5
97.06509	4.2
97.10156	2.1
99.04433	2.3
99.08074	2.5
105.04475	1.0
105.07015	15.5
105.07723	1.2
107.08578	32.9
109.02829	0.8
109.06487	2.1
109.10132	30.7
110.25023	0.9
111.08093	1.8
113.09604	1.3
115.03899	0.8
117.06989	8.2
119.08556	12.7
121.10126	33.2
123.11684	16.8
125.09621	1.6
127.03893	10.0
131.08548	17.9
133.10107	12.8
135.11673	25.5
136.12006	1.2
137.09587	1.8
137.13229	7.6
139.11133	1.2
145.04929	15.7
145.10104	13.4
147.11661	11.0
149.13231	18.4
151.11139	1.8
151.14796	2.0
153.12657	1.3
155.63976	0.8
159.11664	13.5
161.13242	11.7
163.05978	24.5
163.11115	1.4
163.14783	15.7
165.12715	2.8
169.90979	0.8
171.11679	1.3
173.13248	14.1
175.14786	3.6
177.12718	1.7
177.16360	6.7
179.14296	2.4
187.14804	9.9
189.16428	1.8
191.14253	1.8
201.16360	3.6
205.15855	1.9
219.17397	1.2
229.14331	0.9
233.22586	3.1
243.21048	39.3
244.21352	1.9
261.22086	100.0
262.22366	5.3
263.23654	2.0
279.23035	1.6
335.25766	17.8
347.39352	0.8
353.26804	51.7
354.26987	2.2
497.30707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01861	5.5
55.05503	26.0
57.03419	8.7
65.03942	2.6
67.05157	4.3
67.05496	52.7
69.03412	4.0
69.07064	25.6
69.76929	7.8
71.04980	3.7
71.08627	2.9
79.05483	45.6
80.05803	3.1
81.03395	5.0
81.07047	100.0
83.04966	7.9
83.08614	16.3
85.06539	2.0
86.60507	2.0
91.05469	34.9
92.05801	2.9
93.07038	38.7
95.04943	15.1
95.08598	29.9
96.08894	2.6
97.06521	10.0
97.10175	3.1
99.08060	4.8
105.07016	37.7
106.07349	2.1
107.04935	11.0
107.08577	24.0
108.11102	2.0
109.06504	24.9
109.10127	12.7
111.08041	5.8
117.07016	10.7
119.08569	24.7
121.06474	6.3
121.10133	13.9
123.08085	6.9
123.11699	7.4
125.09660	3.7
129.06978	5.5
131.08534	11.3
133.10078	18.8
135.08054	8.1
135.11684	9.7
143.08527	4.4
144.32957	2.5
144.88739	2.1
145.10106	13.6
147.11665	20.5
149.09607	10.8
149.13217	9.3
151.11119	4.5
157.10115	6.3
159.11661	9.2
161.13248	3.2
163.11140	9.3
163.14839	3.9
165.12743	6.2
169.10065	3.4
171.11610	5.2
173.13254	3.3
175.11119	3.6
177.12679	4.2
191.14320	2.4
193.12123	3.8
219.13965	2.4
223.13278	2.9
229.19312	2.3
239.17924	4.4
247.20566	4.9
253.14209	4.5
254.14624	2.3
257.18939	8.1
269.17557	5.9
275.16998	4.9
275.20026	80.5
276.20273	7.9
277.21603	2.7
291.19540	6.1
292.20041	2.8
293.21066	21.7
349.23694	44.7
350.23969	3.5
365.23047	2.7
367.24753	84.1
368.25046	4.0
620.28876	2.3
623.42761	16.5
641.44196	21.1
659.45367	19.9
684.30121	2.2
694.40045	3.1
695.40851	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	694.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01866	12.6
55.02088	2.0
55.05504	57.6
57.03428	7.0
58.06581	1.9
62.36673	1.8
65.03907	3.4
67.05152	2.9
67.05495	46.9
69.03436	4.1
69.07060	21.6
70.57008	2.8
71.04990	5.2
79.05482	44.6
81.03410	8.2
81.07049	48.8
83.04966	18.1
83.08605	45.8
85.02895	4.6
85.06532	2.4
91.05464	40.5
93.07037	43.3
94.07394	1.8
95.04955	82.9
95.08591	30.6
97.06520	11.0
97.10152	14.5
99.04436	8.5
105.04482	2.5
105.07014	37.7
107.04932	19.3
107.08573	40.1
109.06502	10.4
109.10117	13.2
111.04417	15.2
111.08076	10.8
117.06998	14.6
119.08564	32.0
120.49427	1.4
121.06501	6.6
121.10129	22.9
123.08057	9.7
123.11700	4.7
125.05997	1.9
125.09596	17.3
128.94414	1.8
129.06979	7.6
130.07799	1.9
131.08546	21.6
133.10104	19.6
135.08034	8.9
135.11667	14.1
137.09624	4.2
139.11176	4.4
141.06956	3.3
143.08569	6.1
145.10101	21.6
147.08049	5.2
147.11679	15.4
149.07771	1.9
149.09605	42.4
149.13332	3.2
150.50125	1.7
151.11143	3.8
153.09018	1.8
153.12724	4.1
155.08533	2.1
156.48611	1.8
157.10138	5.2
159.11661	11.9
161.09613	2.5
161.13216	5.0
163.11168	36.3
163.12440	3.2
165.12802	5.5
169.10085	5.2
171.10286	2.0
171.11691	5.2
173.09628	2.7
173.11833	2.8
173.13255	6.9
175.11208	4.3
177.12781	5.2
181.12222	3.0
183.11685	3.8
185.13234	2.6
187.11177	2.9
187.14854	2.6
189.11198	16.6
189.12653	2.0
191.10649	2.6
191.14241	2.4
193.12285	3.8
197.13223	3.9
201.12662	2.2
205.12262	5.9
211.11330	1.7
223.13252	66.8
227.12782	6.6
229.19533	5.1
239.17995	7.3
247.20529	4.4
251.02144	1.7
257.18884	16.1
257.20822	1.5
275.20023	100.0
276.20331	4.4
291.19272	1.8
293.21060	55.3
294.21481	2.7
331.22491	3.3
349.23700	54.2
367.24719	59.9
368.25247	2.7
543.37231	2.9
580.94098	2.0
623.42706	10.3
641.44092	20.8
642.44330	2.3
659.44965	22.1
660.45648	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	694.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01861	9.3
55.05501	38.9
57.03430	9.8
57.07062	2.3
58.06585	2.5
58.99871	1.8
60.03890	1.5
61.79047	1.5
65.03925	2.6
66.71939	1.5
67.05491	61.2
68.73988	1.9
69.03413	3.8
69.06696	2.7
69.07053	32.6
71.04964	5.2
79.05481	55.6
81.03400	7.4
81.07043	100.0
83.04958	10.3
83.08606	27.0
85.02903	3.1
85.06513	2.8
87.54213	1.3
87.74699	1.5
91.05463	49.3
92.05766	1.7
93.07029	49.7
93.76630	1.5
94.07355	2.1
95.04953	46.2
95.08588	37.9
97.06515	13.6
97.10140	6.7
98.23502	3.8
99.04463	2.2
99.08102	2.8
103.05456	2.7
105.04523	2.8
105.06339	3.3
105.07008	49.5
107.04929	14.1
107.08580	35.2
109.06489	19.7
109.10138	15.3
111.04408	5.9
111.08067	8.2
117.07006	16.9
118.07315	1.6
119.08563	37.9
121.05659	1.6
121.06480	7.2
121.10110	25.0
123.08025	9.6
123.11667	6.7
125.05987	2.2
125.09604	6.5
129.06964	8.6
131.08530	23.0
133.06441	3.2
133.10114	25.4
135.08026	5.9
135.11693	10.5
137.09554	4.7
139.11148	2.2
143.08559	6.0
145.06454	1.9
145.10100	26.5
147.08002	3.6
147.11650	22.0
149.09587	23.4
149.13226	8.9
151.11162	3.1
155.08507	4.1
157.10077	7.9
159.11658	14.0
161.09573	3.5
161.13217	5.6
163.11154	15.9
165.12743	5.9
169.10115	2.3
171.11703	3.4
173.13223	7.8
175.11134	3.8
177.12730	4.5
179.14330	2.7
181.12164	3.6
183.11691	5.1
184.07303	4.2
185.13252	3.5
187.11093	2.2
187.14856	2.1
189.11143	4.7
189.12668	2.2
191.10614	2.3
193.12221	4.1
195.13742	2.9
197.13226	2.4
215.14250	3.4
223.13202	20.9
227.12711	3.7
229.19484	3.3
229.34567	2.5
239.17894	5.5
247.20540	6.0
257.18973	14.2
259.23895	1.7
267.15775	2.8
269.17432	5.3
275.20026	88.1
276.20313	2.6
291.19485	1.8
293.21075	28.5
299.12006	1.9
331.22559	1.8
344.50562	1.7
349.23666	44.5
350.24106	2.6
357.23749	1.7
362.57703	1.7
367.24728	73.3
368.25229	2.9
449.28897	2.9
543.36377	2.9
593.27283	1.9
623.43176	9.3
641.43945	20.4
642.44214	2.2
659.44977	20.3
660.44366	2.3
694.40155	3.0
695.40985	9.1
721.02100	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	3.8
53.88201	3.7
55.01852	16.0
55.05503	56.3
57.02349	3.2
57.03430	13.4
61.15075	4.1
67.05497	77.4
69.03443	5.0
69.07059	30.8
71.04969	6.9
71.27135	3.8
71.43297	5.5
79.05482	70.6
81.03400	9.1
81.07042	74.9
83.04968	11.6
83.08606	42.9
85.06523	4.8
91.05463	69.5
93.07030	58.3
94.07365	4.3
95.04952	48.6
95.08599	44.0
97.06518	14.9
97.10184	12.9
98.77271	3.7
99.04446	6.0
105.04530	4.2
105.07018	50.6
107.04935	20.4
107.08594	45.8
109.06486	15.9
109.10143	24.5
111.04451	6.9
111.08056	7.8
114.84144	3.3
115.05432	4.2
115.70022	3.8
117.06992	19.8
119.08560	41.9
121.06481	14.5
121.10130	30.2
123.08055	9.1
123.11680	7.6
125.09618	13.4
128.06229	3.9
129.06998	7.1
129.94547	3.6
131.08560	29.3
133.10114	24.3
135.08009	6.9
135.11670	14.6
137.09631	4.8
143.08545	7.9
143.68776	4.1
145.10069	24.2
147.07974	4.2
147.11642	23.3
149.09604	26.6
149.13220	5.9
151.11214	5.6
157.10115	6.4
159.11650	17.8
163.11168	33.0
165.12675	6.3
169.10153	6.2
171.11621	7.2
173.13194	6.2
175.11142	4.1
177.12680	6.5
185.13242	4.4
187.11273	4.1
189.11208	8.8
190.98041	4.4
211.14879	4.7
223.13210	25.7
227.12764	11.5
239.17807	7.1
257.18988	11.9
269.17383	8.3
275.20053	100.0
291.19489	7.1
293.21082	39.8
349.23685	65.2
350.24249	4.2
367.24731	67.1
440.77655	3.9
449.28876	4.4
463.29620	4.6
514.36188	6.9
543.36560	4.2
561.37866	6.0
623.42542	11.0
641.43829	26.2
659.44507	16.6
694.40259	12.1
695.40344	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	695.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51092	0.6
53.03944	4.6
53.14241	0.5
55.01865	1.1
57.03419	0.7
61.02919	1.8
69.03422	31.3
69.37917	0.8
69.38306	1.6
71.04984	3.3
81.03408	27.5
83.01332	2.9
85.02894	31.4
97.02882	50.2
98.03185	0.7
98.23521	0.8
99.04449	12.3
101.72774	0.6
103.60340	0.6
109.02864	100.0
110.03219	1.7
115.03895	1.0
121.02863	2.3
127.03898	56.0
128.04205	0.6
137.02296	0.8
139.03877	5.8
145.04935	9.6
146.71034	0.5
153.01802	1.9
165.01828	0.9
169.04945	10.9
169.06293	0.4
183.02844	0.7
187.05992	29.5
205.07016	0.9
213.05522	0.8
229.07018	6.5
241.04817	0.8
247.08104	2.2
258.05109	0.7
287.05453	91.0
288.05826	2.1
303.04901	4.9
374.64655	0.7
449.10828	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1805
Annotation	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03727	0.5
53.03941	5.3
53.48423	0.5
55.01849	1.6
57.03422	0.9
69.03419	8.1
69.13050	2.6
71.04990	4.2
79.03293	0.4
81.03407	21.4
83.01322	1.2
85.02900	9.0
97.02888	7.1
98.23426	0.9
99.03793	0.9
99.04443	17.3
103.03925	4.3
107.04840	0.5
109.02863	32.5
110.03214	0.5
115.03928	0.7
121.02855	1.0
127.03896	100.0
128.04247	1.1
139.03857	1.6
145.04941	6.7
153.01788	1.3
165.01909	0.8
169.04932	7.6
182.76920	0.5
183.02800	0.4
187.05992	21.0
188.06404	0.6
212.53766	0.4
213.05476	0.7
229.07037	28.7
230.07283	0.6
231.06497	0.5
241.04941	0.7
247.08101	6.4
287.05444	58.9
288.05835	1.6
329.06323	0.8
354.51715	0.5
434.10635	0.5
449.10834	4.3
722.82294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1807
Annotation	Isoscutellarein 7-(6'''-acetylallosyl-(1->2)-6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.02377	0.3
53.03940	9.3
55.01858	0.4
57.03415	0.3
61.02918	1.1
67.01855	1.5
68.99795	0.4
69.03419	4.5
69.03798	0.2
69.15390	0.6
71.04989	1.2
73.02895	0.2
78.89983	0.1
79.05482	0.1
81.03406	10.8
83.01318	0.3
83.04966	0.1
85.02896	2.3
95.04941	0.1
97.02880	11.7
98.22617	0.1
99.04442	3.7
103.03886	0.2
105.03377	0.4
107.04936	0.2
109.02863	21.8
110.03179	0.2
111.00784	0.6
115.03922	0.4
121.02847	1.9
127.03897	18.6
128.04253	0.1
129.07007	0.2
133.02831	0.4
135.04315	0.1
137.02316	0.5
139.03931	0.1
145.04935	1.0
145.06018	0.1
145.06548	0.2
147.04367	0.5
153.01788	3.0
157.06435	0.3
165.01813	1.3
169.04999	1.1
169.06326	0.2
171.04338	0.3
177.05559	0.2
183.02959	0.6
185.05934	0.3
187.05986	6.4
187.39958	0.1
188.06334	0.1
189.05428	0.1
199.03891	0.2
203.07100	0.2
213.05450	0.9
229.07076	0.5
231.06438	0.5
241.04933	0.7
243.37640	0.1
247.08212	0.3
258.05237	0.8
259.06094	0.4
269.04358	0.1
286.04672	0.1
287.05444	100.0
288.05774	2.8
299.05450	0.2
353.06445	0.2
367.07864	0.1
377.06702	0.2
395.07523	0.7
437.08835	0.6
449.10721	8.2
450.10986	0.2
470.86124	0.1
519.43451	0.1
544.17316	0.1
557.89746	0.1
663.23273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09740	0.5
55.01855	0.7
56.96538	0.8
57.03426	1.0
58.06592	36.3
58.91852	0.5
67.05482	1.2
69.03426	0.5
69.07008	0.5
71.83019	0.5
72.08150	0.8
78.98840	0.5
79.05484	1.6
81.03387	2.7
81.07047	1.7
83.08618	0.6
85.02873	0.6
89.59483	0.5
91.05478	2.0
93.07053	1.1
95.04950	0.8
97.02895	1.1
105.03416	0.6
105.07034	0.6
107.04949	0.6
107.08570	0.8
109.02873	0.6
109.10117	1.0
117.06995	1.2
119.08548	0.6
127.03918	1.1
135.08047	1.2
157.99734	0.5
163.07567	0.6
176.06688	0.5
178.07780	0.7
179.08556	1.4
189.07022	1.0
193.06538	2.0
193.12238	0.5
194.07310	0.6
205.06516	1.4
206.07271	1.4
207.08067	6.7
219.08118	1.1
220.05197	0.6
221.05986	2.6
221.09688	0.9
222.06680	0.6
222.10503	0.8
223.07581	2.1
224.08316	1.0
225.09264	0.7
229.07550	0.5
231.09061	0.9
233.05991	1.3
234.06677	2.6
235.07510	19.0
236.08188	1.7
237.05542	2.6
237.09070	2.0
238.06210	15.3
238.09872	1.1
239.07019	0.7
248.08363	0.8
249.05431	2.6
249.09183	2.2
250.06265	0.9
250.09938	2.3
251.07062	3.8
251.10715	0.6
252.07780	13.7
252.10329	1.1
253.08536	5.3
254.09235	0.7
262.06235	1.2
263.07019	15.7
264.04483	0.7
264.07767	2.7
265.08441	2.5
266.05746	2.1
266.09467	3.0
267.07068	0.8
267.10089	6.8
267.15964	0.9
268.13547	0.6
269.10678	2.0
277.08585	3.9
278.09338	0.7
279.06580	4.2
279.09473	0.8
280.07251	4.4
280.09995	0.8
281.08063	48.4
281.11517	3.6
282.08533	1.8
287.05484	1.2
287.11414	0.6
294.08777	5.5
295.09595	28.1
296.10382	44.8
297.10782	2.9
298.11887	1.0
303.05032	1.1
305.45676	0.5
309.11179	0.9
310.11932	2.5
311.09247	0.7
326.13837	0.6
331.15903	0.9
339.11087	1.4
341.16510	0.5
349.16925	1.0
354.13245	2.6
367.17899	8.0
385.18887	1.2
430.22937	1.3
447.23859	1.4
448.24112	2.7
467.13132	0.7
517.16791	0.7
545.16370	0.9
618.21198	2.1
632.22968	0.7
650.24005	3.3
695.29504	100.0
696.29913	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	695.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
54.44217	0.4
54.97821	0.3
55.01886	0.4
55.05503	1.0
57.03427	1.6
58.06597	0.8
59.49300	0.3
61.02921	3.6
62.79389	0.4
67.05491	3.0
69.03416	2.3
69.07028	0.8
70.88570	0.3
71.04987	1.1
73.02901	2.3
79.05485	2.3
81.03405	4.0
81.03831	0.4
81.07059	2.7
83.04984	1.1
83.08630	1.4
85.02896	4.8
87.43525	0.4
91.03951	2.0
91.05472	2.8
93.07033	2.6
95.04957	1.9
95.08575	2.0
97.02879	3.3
97.06548	0.6
98.22665	0.7
98.70323	0.3
99.04456	0.8
101.02383	1.0
103.03947	0.7
105.03408	0.5
105.07041	1.7
107.04935	0.7
107.08595	1.8
109.02885	1.0
109.06513	0.9
109.10133	0.8
111.04424	0.4
117.07032	0.7
119.08567	1.7
121.06419	0.5
121.10143	1.4
127.03925	1.4
129.06990	0.9
131.08566	0.8
133.10136	1.4
135.11662	2.7
145.10100	1.7
147.11682	1.2
157.10120	0.9
163.11182	3.7
175.11205	0.9
175.46388	0.3
181.12263	0.6
185.04251	0.5
185.61430	0.3
193.12285	0.7
227.12770	2.6
243.08394	2.1
249.10988	6.3
249.13510	0.5
251.07069	0.3
251.12534	0.7
281.08157	0.7
287.05481	0.8
305.13687	1.4
467.18820	8.1
469.20352	8.1
480.27310	0.5
533.27075	0.7
695.32251	100.0
696.32623	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	695.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65381	0.2
53.03945	0.7
54.86398	0.2
55.01865	0.8
55.05509	1.3
57.03437	2.1
57.07057	0.3
58.06594	0.4
59.05013	0.3
61.02920	5.3
67.05496	3.0
69.03423	3.2
69.07061	0.7
71.01338	0.4
71.04983	0.9
73.02910	3.8
79.05484	2.9
81.03407	4.5
81.07056	2.5
83.01340	0.6
83.04977	1.4
83.08621	1.5
85.02895	6.6
85.06522	0.4
87.04465	0.3
91.03942	3.1
91.05469	3.0
93.07034	2.5
95.04958	1.9
95.08584	1.3
97.02878	4.7
97.06517	0.7
97.10173	0.3
98.23453	0.9
99.04415	1.2
101.02373	2.0
103.03938	0.7
105.03409	0.3
105.07022	1.7
107.04945	1.5
107.08600	1.1
109.02872	1.1
109.06520	0.8
109.10149	0.5
111.04430	0.3
111.08045	0.6
112.37959	0.2
115.03931	0.5
117.07039	0.7
119.08572	1.8
121.06519	0.3
121.10120	1.1
123.08054	0.9
125.35658	0.2
127.03889	2.0
128.18484	0.2
129.07034	1.0
131.04904	0.2
131.08595	0.7
133.10158	0.9
135.11684	1.6
137.09599	0.3
145.05003	0.3
145.10123	1.4
147.08093	0.6
147.11699	0.9
149.09682	0.4
157.10139	0.8
163.11160	2.6
175.11150	0.7
181.12245	0.4
185.04266	0.7
191.10747	0.3
193.12282	1.2
193.13742	0.2
203.05237	0.4
209.11761	0.6
211.13171	0.5
215.36957	0.2
230.68079	0.2
235.07660	0.3
243.08315	2.6
249.10913	0.6
251.07059	0.2
251.12627	0.9
283.15497	0.7
287.05478	0.6
295.09512	0.3
307.15378	0.4
461.29089	0.3
467.18845	8.3
467.25504	0.4
468.19196	0.5
469.20374	5.0
533.26959	0.4
567.01404	0.2
695.32312	100.0
696.32581	6.3
696.43829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46281	0.7
53.03931	2.2
55.01867	3.1
55.05504	7.0
57.03425	10.5
61.02909	1.6
63.58006	0.9
65.03933	1.4
66.23279	0.8
67.05496	17.0
69.03425	3.3
69.07062	5.2
69.21070	3.6
69.21468	1.3
70.63342	0.7
71.04978	2.9
73.82977	0.9
77.73988	0.7
77.90128	0.7
79.05478	16.0
81.03406	100.0
81.07041	12.4
81.78490	0.8
82.03722	1.0
83.04979	6.5
83.08610	11.1
85.02889	11.2
85.06563	1.0
91.05470	31.7
93.07029	12.6
95.04951	12.9
95.08585	7.9
96.87459	0.8
97.02888	3.6
97.06522	3.4
97.10149	2.1
105.03387	2.4
105.07023	9.8
107.04936	5.7
107.08588	3.9
109.02927	0.9
109.06502	3.3
109.10160	4.5
111.04408	1.1
111.08061	3.8
117.07004	3.9
119.08567	30.6
121.06493	6.2
121.10104	4.7
123.04418	1.3
123.08065	3.3
125.09624	3.0
127.03937	1.5
129.07027	5.9
131.04887	0.8
131.08554	5.7
133.06480	2.7
133.10115	3.8
135.08072	2.2
135.11682	1.5
137.09595	17.4
142.07797	1.6
143.08604	1.3
145.06493	3.2
145.10117	2.2
147.04446	1.4
147.08052	6.5
147.11649	4.5
149.09592	2.8
157.10147	5.7
159.08069	0.9
161.09619	1.3
163.07487	1.4
163.11221	1.2
165.09087	14.4
165.12781	1.5
169.10152	1.0
173.09549	1.0
175.11134	4.5
176.07031	1.1
183.10175	1.5
185.09549	1.3
187.11139	1.2
189.08995	1.0
191.10574	0.9
193.12221	13.7
205.10039	2.3
211.13213	7.3
227.10611	5.0
239.12743	45.3
240.13187	1.4
245.11771	1.1
249.14801	1.0
257.13773	4.2
267.15860	30.4
268.16275	1.2
273.14822	2.0
275.43478	0.8
283.15594	1.2
285.16910	7.6
287.05554	1.8
311.19986	2.1
313.17902	2.5
321.18414	2.6
339.19580	6.5
357.20514	9.8
375.21704	1.0
387.21231	1.1
405.22702	10.4
413.23022	4.4
431.24243	44.1
432.24457	2.4
449.19116	1.8
449.25314	30.8
450.25763	1.3
493.37833	0.8
696.31042	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	696.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01855	1.6
55.05500	23.1
57.03432	9.2
57.07063	10.4
61.02917	31.1
65.03925	2.3
67.05493	88.4
68.05832	1.0
69.03400	4.0
69.07059	26.5
71.04980	3.3
71.08624	6.1
73.02901	11.0
75.04484	0.9
79.05477	23.6
81.03404	3.2
81.07042	100.0
82.07375	1.3
83.04958	2.3
83.08609	21.2
85.02888	37.4
85.06528	2.9
85.10162	3.1
91.03943	29.6
91.05459	20.8
92.05755	0.8
93.06435	1.5
93.07027	28.6
93.07594	1.7
95.04954	2.8
95.08588	87.2
96.08902	1.1
97.02875	15.6
97.06514	8.5
97.10150	14.9
99.04431	2.3
99.08085	4.6
105.07012	14.0
107.08576	18.5
108.08883	1.0
109.02847	1.3
109.10137	46.0
110.10469	1.0
111.08067	4.8
111.11694	4.7
113.09611	1.8
115.03934	1.1
119.08562	14.0
121.10124	24.9
123.11681	21.7
125.09656	2.5
125.13255	1.8
127.03893	8.9
127.11155	1.6
129.05482	1.4
131.08517	1.4
133.10104	18.1
135.11664	15.1
135.12640	1.4
137.09586	2.2
137.13228	8.5
139.11148	1.6
141.12723	4.9
145.04922	14.3
147.11668	13.7
149.13235	12.4
151.11188	2.6
151.14783	7.5
153.12744	2.2
155.14284	3.4
161.13220	15.2
163.05991	19.3
163.14787	12.1
164.15105	0.8
165.12727	1.2
165.16357	9.7
167.14339	1.1
175.14799	11.0
177.16333	2.9
177.43765	0.9
179.14290	1.2
179.17929	6.8
181.15926	1.5
185.15283	1.0
189.16325	4.7
190.27922	0.9
193.15845	1.9
203.17982	1.3
217.19423	1.7
219.21077	1.1
231.77376	0.9
245.22609	70.2
246.23003	3.1
263.23660	98.1
264.23956	3.7
265.25159	1.6
267.44971	0.9
281.24683	3.6
337.27298	68.4
338.27634	4.2
355.28360	14.0
445.29871	0.9
481.31223	1.2
499.32245	5.1
500.32474	1.0
514.06628	0.9
614.48779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.3
57.03439	6.0
57.07060	8.5
60.44995	1.9
61.02919	21.9
65.03917	2.4
65.37881	1.7
67.05495	59.8
67.05858	3.2
69.07053	16.2
71.04983	3.1
71.08618	4.8
73.02903	6.9
74.75416	1.8
79.05473	21.9
81.03384	2.5
81.06558	4.2
81.07044	82.8
81.38942	2.3
83.08593	18.1
85.02890	28.1
85.06517	3.5
90.77042	1.6
91.03947	23.5
91.05463	16.5
93.07036	22.1
95.04960	3.9
95.08596	65.2
97.02897	10.5
97.06515	6.9
97.10168	10.5
99.04412	2.3
99.08088	5.3
105.07037	11.2
107.08572	14.8
109.02878	2.4
109.06528	2.3
109.10136	27.7
111.08085	3.1
111.11707	3.3
113.09628	2.8
115.03911	2.5
119.08610	11.7
121.10125	23.6
123.11703	20.5
127.03905	7.7
133.10138	11.9
135.11662	12.0
137.09590	3.6
137.13242	7.6
141.12720	2.6
145.04951	14.8
147.11647	8.8
149.13222	7.5
151.14793	6.0
155.14270	3.3
161.13228	13.0
163.06009	19.4
163.14754	8.9
165.16371	6.9
175.14743	10.1
177.16418	2.4
179.17982	9.3
189.16351	5.4
193.15733	2.1
245.22607	62.6
263.23663	100.0
264.24146	4.2
265.25342	2.7
281.24811	2.9
297.50586	2.3
337.27341	45.9
355.28391	7.3
372.38297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.9
53.03934	5.1
54.38992	1.5
55.01865	11.0
55.05503	42.6
57.03424	11.5
57.07070	11.6
65.03925	5.7
67.05493	70.7
68.05827	2.8
69.03405	3.6
69.07054	33.7
71.04977	5.7
71.08622	9.9
77.49594	1.7
79.05482	56.5
80.05840	2.0
81.03413	8.7
81.07043	100.0
83.04971	17.6
83.08601	27.9
85.06535	5.9
85.10166	13.2
91.05463	49.6
93.07030	59.1
95.04951	42.3
95.08591	43.5
97.06498	13.5
97.10178	7.1
98.22694	6.1
99.04424	2.3
99.08076	7.8
105.04504	5.2
105.07011	42.4
107.04923	17.2
107.08576	31.0
109.06501	15.6
109.10136	18.7
110.10463	1.7
110.93862	1.7
111.04439	5.1
111.08070	8.0
113.09634	16.1
117.06993	13.7
119.08556	33.4
121.06517	5.3
121.10137	22.5
123.08043	9.5
123.11712	8.6
125.09623	6.3
125.99671	1.9
129.07031	5.7
131.08546	17.8
133.06497	2.1
133.10127	21.3
135.08037	6.6
135.11702	14.0
137.09596	3.0
139.11174	4.3
143.08568	8.0
144.99171	1.7
145.10112	18.7
147.08121	3.6
147.11670	22.3
149.09590	19.2
149.13225	9.3
151.11150	9.4
155.08488	3.2
157.10097	6.7
159.11679	12.9
161.09660	2.8
161.13249	5.0
163.11154	21.0
163.14912	2.0
164.11522	1.8
165.12729	21.4
169.10139	2.4
171.11716	5.3
173.09561	2.7
173.13243	4.9
175.11162	3.0
177.12807	4.8
179.14323	5.7
183.11690	3.6
185.13300	3.3
187.13275	2.7
189.11183	4.1
195.13858	3.8
205.12215	2.2
223.13240	11.7
227.12750	2.4
235.16859	1.9
241.19414	2.1
247.20476	2.9
249.60649	2.0
255.15718	1.9
257.18979	5.2
259.20505	4.2
269.17340	9.6
275.20020	39.8
276.20364	2.3
277.21582	25.0
293.21085	18.4
294.21237	2.0
295.22607	16.1
349.23743	19.3
351.25171	27.8
367.24716	18.1
368.24796	2.4
369.26297	10.4
487.93536	1.9
543.36816	9.9
561.37817	11.7
563.38397	2.1
625.44348	9.6
643.45630	15.7
661.46021	7.0
696.40643	4.0
697.43054	11.5
714.82184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01871	12.2
55.05502	52.4
57.03426	14.1
57.07064	23.0
67.05496	84.6
69.07047	28.7
71.04967	14.2
71.08603	6.4
79.05489	67.1
81.03412	15.6
81.07048	74.1
82.98325	5.3
83.04971	15.0
83.08599	33.6
85.06562	8.1
85.10174	33.0
91.05465	53.7
93.07041	65.2
95.04951	77.6
95.08598	34.7
97.06522	13.3
97.10155	17.7
99.04499	5.0
99.08057	9.4
105.07007	38.3
107.04943	23.5
107.08588	44.2
109.06512	14.8
109.10160	30.0
111.04405	6.3
111.08090	6.7
113.09617	21.4
117.07017	22.0
119.08559	39.9
120.08862	6.8
121.06503	7.7
121.10135	24.5
123.08048	13.8
125.09625	13.7
129.06958	5.9
131.08536	19.7
133.10132	22.7
135.08025	10.1
135.11676	15.6
137.24977	5.4
143.08423	6.2
145.10101	28.9
147.08037	7.9
147.11649	20.2
149.09598	34.9
149.13225	7.7
151.11115	8.1
159.11656	16.5
161.13167	7.9
163.11177	28.5
165.12726	52.1
175.11261	6.1
189.11205	14.2
223.13287	31.8
227.12775	10.5
257.19077	11.7
269.17447	6.0
275.20056	62.5
276.20480	7.0
277.21579	48.1
293.21103	30.3
295.22650	100.0
349.23846	27.3
351.25214	35.7
367.24768	39.8
369.26324	35.2
625.44470	15.9
643.45422	31.6
661.46417	21.2
696.41235	43.3
697.42279	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	696.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.3
55.05504	42.7
57.03421	13.8
57.07056	4.8
65.03934	6.0
67.05156	6.4
67.05497	90.4
69.03399	6.1
69.07056	31.9
69.22270	22.9
71.04983	4.9
71.08610	15.0
72.51911	3.9
79.05482	63.4
81.03406	14.3
81.07046	100.0
82.07375	4.7
83.04966	14.8
83.08610	34.1
85.06518	5.7
91.05465	56.8
93.07034	60.3
95.04945	42.1
95.08589	44.5
97.06522	13.6
97.10148	12.8
99.08073	9.9
105.07013	43.4
107.04957	15.6
107.08573	36.5
109.06512	13.2
109.10127	22.8
110.10463	3.8
111.08070	11.1
113.09694	4.2
117.07017	22.0
119.08575	38.4
121.06503	6.5
121.10136	21.9
123.11703	10.0
125.09630	11.3
129.07043	6.8
131.08557	28.0
133.10138	25.3
135.08044	7.4
135.11676	21.8
139.11270	4.5
143.08488	3.9
145.10083	22.1
147.11658	21.5
149.09598	14.5
149.13231	6.5
151.11169	11.6
157.10089	8.8
158.58479	3.8
159.11732	11.5
161.13239	6.0
163.11153	16.1
165.12733	17.2
170.36539	4.2
171.11646	6.7
173.13208	5.3
175.14792	4.7
177.12798	6.2
179.14165	4.8
181.12257	5.0
185.13194	9.8
187.14769	5.4
189.11220	6.6
195.13789	8.7
212.68718	3.7
223.13219	21.2
227.12662	12.3
229.14310	4.8
257.18918	8.8
259.20578	7.9
269.17410	16.6
275.20053	55.0
277.21530	38.1
291.19376	5.2
293.21158	22.3
295.22604	9.9
349.23654	23.9
350.23962	4.6
351.25082	28.6
367.24713	28.5
369.26123	23.8
463.31073	6.5
543.36414	9.0
625.44092	14.4
643.45477	20.8
661.46497	15.9
696.40997	20.0
697.42657	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01858	0.4
55.05510	1.1
57.03433	1.9
61.02919	3.4
67.05502	1.9
69.03416	2.4
69.07059	0.5
71.01340	0.5
71.04987	0.7
73.02906	3.1
79.05481	2.6
81.03408	4.4
81.07044	2.7
82.03737	0.3
83.01306	0.2
83.04964	1.0
83.08601	1.5
85.02896	6.7
85.06550	0.2
86.04937	0.2
87.04510	0.3
91.03943	2.6
91.05464	3.4
91.05963	0.3
93.07027	1.3
93.60590	0.3
95.04951	2.1
95.08601	0.8
97.02882	3.9
97.06506	0.4
98.60289	0.2
99.04452	0.6
99.36858	0.2
101.02361	1.4
103.03892	0.4
105.03377	1.1
105.07026	1.9
107.04957	0.5
107.08617	0.7
109.02881	0.8
109.06527	0.4
109.10165	0.3
110.91154	0.3
111.04436	0.3
111.08090	0.9
113.06019	0.4
119.08571	1.5
121.06509	0.9
121.10128	0.5
123.69081	0.2
127.03926	1.0
129.07010	0.8
131.08531	1.4
133.09277	0.2
133.10062	1.1
147.08018	0.3
147.11655	1.4
149.09610	0.6
157.10115	1.4
165.12772	0.4
175.11147	1.4
185.04257	0.4
193.12254	1.9
203.05183	0.4
211.13304	1.0
213.18179	0.2
243.08307	2.2
251.12555	1.6
285.16953	0.4
307.15314	0.8
356.18869	0.2
469.20389	12.7
470.20923	0.5
478.92764	0.2
535.28442	0.3
697.33948	100.0
698.34796	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	697.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
54.59023	0.3
55.01866	0.4
55.05500	0.6
57.03432	2.0
58.06588	0.6
61.02922	3.8
65.48203	0.4
67.05497	2.6
68.33237	0.4
69.03412	2.8
69.07058	0.9
70.94595	0.5
71.04992	0.7
73.02901	2.6
77.71073	0.4
79.05477	3.0
81.03407	7.0
81.07047	2.9
83.04998	1.4
83.08604	2.0
85.02895	5.1
85.88910	0.3
91.03974	1.5
91.05466	3.0
93.07040	2.4
95.04976	2.8
95.08614	1.1
96.06872	0.4
97.02885	4.3
97.06522	0.7
99.04480	1.0
101.02382	1.3
105.03367	2.0
105.07040	2.6
107.04939	0.6
107.08595	1.1
109.02890	0.8
109.06475	0.6
109.10175	1.1
109.85423	0.4
111.08102	1.2
113.05957	0.4
119.08533	1.8
121.06554	1.3
121.10155	1.4
127.03934	1.5
129.07001	1.1
131.08580	1.3
133.10162	1.1
145.10144	0.4
147.11757	1.7
149.09660	0.7
157.10144	1.2
169.78680	0.4
175.11235	1.2
181.44801	0.4
186.27029	0.4
187.07446	0.5
193.12181	2.7
203.05196	0.5
211.13365	1.7
243.08394	2.1
251.12421	3.4
307.15164	0.8
325.11615	0.4
404.96683	0.4
469.20480	11.8
470.20969	0.7
523.24805	0.5
697.33948	100.0
698.34729	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	697.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74340	2.6
53.75869	2.4
55.01871	3.8
55.05510	24.2
57.03423	13.2
57.07077	3.4
59.70549	2.3
65.01245	2.1
65.03912	3.1
67.05499	53.1
68.05798	3.3
69.07052	21.3
69.13939	2.1
70.39740	3.0
71.04964	3.1
79.05482	43.8
81.07049	70.2
83.04996	4.4
83.08610	10.9
91.05471	32.8
93.07038	40.7
95.04974	10.4
95.08599	38.5
97.06544	5.6
97.10150	5.6
99.08088	2.6
105.03400	2.7
105.04512	3.3
105.07021	31.9
107.08579	27.7
109.06516	3.4
109.10143	14.8
111.08097	3.1
111.11700	2.8
117.07016	9.7
119.08566	29.4
121.06481	3.2
121.10133	18.2
123.11752	4.6
125.09587	4.4
129.07005	4.1
131.08560	13.6
133.10121	17.6
134.29230	2.6
135.11697	8.3
143.08554	6.1
145.10144	12.2
147.11684	16.6
149.13295	5.2
157.10103	6.5
159.11697	9.5
161.13274	7.3
163.11160	4.5
165.12747	6.2
171.11745	7.4
173.13223	7.1
175.14771	3.6
187.14775	3.6
199.14877	3.3
211.14798	2.6
214.74838	3.3
216.19962	2.8
239.16286	12.4
259.20828	3.8
277.21582	4.6
295.22726	2.6
331.18860	4.7
335.25858	13.9
403.10287	2.5
425.34616	6.0
443.35336	3.7
499.37885	11.4
517.38837	21.2
697.42627	100.0
698.42841	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	698.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.8
51.02372	1.3
51.65533	0.2
53.03938	2.8
55.01851	0.4
57.03411	0.5
58.06590	1.2
65.03969	0.2
68.61255	0.1
69.03056	0.2
69.03418	4.1
71.04964	0.4
73.02882	0.4
77.03909	3.4
79.05478	2.3
81.03404	9.1
85.02396	0.3
85.02892	4.9
85.82133	0.2
91.04866	0.2
91.05465	5.0
93.07034	7.3
95.04953	14.1
95.29671	0.2
97.02876	5.2
99.04440	1.7
103.05450	5.4
105.03376	100.0
105.04387	6.0
106.03683	1.6
109.02859	6.4
119.53891	0.2
121.06485	61.9
122.06804	1.1
123.04416	5.4
127.03891	5.1
131.38980	0.2
138.58536	0.2
143.67746	0.2
145.04926	2.3
164.10703	0.4
166.12247	24.3
167.12613	0.5
177.05457	0.3
187.07536	0.3
195.06537	0.2
207.06401	0.2
231.06482	1.3
249.07536	12.3
250.07927	0.4
267.08603	6.8
275.90912	0.2
280.40759	0.2
339.12073	0.2
432.14261	0.4
432.20123	7.4
433.20383	0.5
521.55231	0.2
561.42603	0.2
698.27930	37.8
699.17206	0.3
699.28217	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	0.5
51.02359	1.1
53.03941	1.9
55.01846	0.3
56.08066	0.2
58.06580	0.8
61.02885	0.3
62.00517	0.2
68.94040	0.2
69.03062	0.5
69.03419	8.1
69.03793	0.4
71.44067	0.2
77.03915	1.9
78.36090	0.2
79.05467	0.6
80.55563	0.2
81.03416	1.5
85.02891	1.0
91.05456	3.0
91.49300	0.2
93.07027	4.4
95.04954	10.5
97.02877	2.3
99.03848	0.2
99.04444	1.0
103.05458	3.5
105.03373	100.0
105.04509	4.4
106.03718	1.2
109.02878	1.7
121.06484	39.5
122.06799	0.5
123.04417	1.9
127.03894	7.0
145.04924	1.0
163.07477	0.3
164.10757	0.2
166.08621	0.4
166.12247	14.7
177.05559	0.3
189.05486	0.5
231.06422	1.7
249.07552	3.2
267.08563	7.9
267.11221	0.5
275.00830	0.3
284.10309	0.3
308.07959	0.3
371.11243	0.3
397.59161	0.3
432.20285	1.7
439.08142	0.3
585.83173	0.3
698.27863	24.4
699.27759	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25046	1.4
55.01869	2.6
55.05250	2.6
55.05504	28.5
55.05770	1.7
57.03439	10.7
57.07072	17.8
60.04560	1.3
61.02626	2.0
61.02919	27.2
64.18996	1.5
65.03936	1.4
67.05150	2.8
67.05495	42.0
67.76411	1.2
69.03417	5.4
69.07059	52.1
70.69318	1.4
70.97135	1.3
71.04985	4.4
71.08617	10.6
73.02912	9.2
75.04480	2.8
79.05482	24.4
81.03408	4.5
81.07047	48.2
83.01306	1.5
83.04977	2.8
83.08607	42.5
85.02891	30.2
85.06527	3.6
85.10176	5.9
91.03947	26.3
91.05447	6.7
93.07031	31.3
95.04971	4.6
95.08591	50.9
97.02876	12.8
97.06507	8.3
97.10159	24.8
99.04456	3.0
99.08076	2.2
105.03376	6.3
105.07006	5.4
107.08584	22.3
109.06506	1.7
109.10144	25.5
111.08069	6.0
111.11720	10.2
119.08576	3.2
121.06506	6.5
121.10129	44.5
123.11681	10.4
125.09630	3.8
125.13280	2.1
127.03899	10.2
131.08601	2.8
133.10115	3.0
135.11679	34.7
137.13228	3.9
139.11165	3.0
143.14320	1.9
145.04948	12.9
145.10117	3.0
149.09619	3.8
149.13226	12.4
151.14821	4.8
153.12712	2.6
157.12233	1.8
159.11714	2.2
163.05998	19.3
163.11205	1.7
163.14857	6.3
165.16431	4.2
177.16318	2.7
191.17880	2.1
201.16359	2.5
205.19522	1.6
213.11209	2.3
213.18413	1.6
225.04289	1.5
247.24174	37.5
249.07681	1.6
251.09358	1.3
253.15947	1.4
265.25223	100.0
266.25598	1.9
269.13837	3.0
270.59717	1.4
279.12607	3.5
280.09698	9.8
283.15427	7.9
283.26309	19.0
292.09509	2.1
293.21118	9.2
294.11328	4.2
295.12012	5.3
307.12088	4.2
307.22604	3.3
308.09241	1.5
309.13504	4.5
310.14468	2.0
322.10654	2.6
323.11536	4.5
338.09818	3.1
338.13797	43.4
339.28894	99.8
340.29315	3.4
353.16162	66.8
357.29932	48.6
358.30264	2.6
368.14816	3.9
501.32669	11.9
698.25299	4.4
698.43842	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.4
68.64920	0.3
71.95217	0.5
73.83929	0.3
75.13379	0.3
98.97570	40.9
99.97861	0.4
116.98611	32.0
130.93240	0.5
134.99641	14.2
140.00116	0.6
152.06268	0.3
153.00714	1.7
158.01169	0.4
163.93330	0.4
172.94299	1.4
182.98936	0.4
190.95416	2.7
208.96381	1.2
214.95406	1.6
232.96432	6.3
248.94475	0.6
250.78806	0.3
250.97508	3.9
256.96381	13.2
258.99692	1.9
272.94553	0.4
274.97479	100.0
275.97821	2.2
276.98035	0.7
277.00793	2.7
288.92282	0.6
290.95572	1.8
292.98523	68.8
293.98901	1.6
294.98810	0.4
297.99121	1.9
298.97690	0.6
306.93195	0.4
308.96548	0.4
310.99628	1.0
314.95505	1.0
316.00250	0.7
316.98743	1.3
330.93558	0.8
332.96521	1.1
353.47336	0.4
364.92203	0.6
367.53793	0.3
388.92477	0.5
390.95587	0.5
391.95844	0.5
398.97708	2.5
399.97461	0.4
408.42664	0.4
414.95343	11.5
416.98688	5.8
417.98883	0.6
428.90015	0.7
430.93414	0.8
432.96417	18.4
433.96921	0.7
434.99524	1.0
440.98981	0.5
450.97531	3.3
456.96793	0.5
466.99979	0.4
472.94455	1.0
514.95313	0.4
526.31677	0.4
540.98767	6.6
541.98877	0.8
556.96490	53.1
557.96771	4.0
572.94562	2.2
573.94635	0.7
574.97662	1.8
598.98456	0.6
600.97205	0.5
614.95520	0.8
615.95862	0.5
698.96783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05830	0.5
57.03415	0.6
67.05458	1.8
69.92776	1.1
79.05441	1.3
80.75748	0.4
81.07001	1.9
91.05420	1.3
93.06982	1.8
95.04936	2.5
95.08560	1.2
95.17253	0.5
105.06979	0.9
107.01212	0.5
107.08554	0.5
109.10110	0.7
117.06967	0.6
119.08556	0.7
120.04462	0.7
121.06487	0.5
123.04354	0.9
133.10104	0.8
149.04720	3.9
150.05498	3.0
151.03882	8.9
162.05414	1.6
164.07057	0.9
167.05678	0.8
181.07289	0.8
182.04401	0.6
194.08064	1.4
196.05917	0.9
234.09081	0.5
249.07747	1.2
250.08652	1.3
251.09369	1.3
252.10081	1.1
253.14328	1.1
254.11876	0.6
262.08737	0.7
263.09448	0.6
264.10184	1.5
265.08551	0.8
265.11035	1.0
266.08157	1.2
266.11719	1.5
267.08978	0.9
268.09653	0.6
270.07556	1.6
272.09201	0.9
276.10150	0.7
277.08380	0.8
278.08099	3.4
278.11691	1.4
279.08923	2.0
279.12479	3.3
280.06549	0.7
280.09634	11.7
282.11325	1.5
292.09714	3.6
292.12637	0.8
293.07568	0.9
293.10641	2.3
294.07626	3.5
294.11221	6.8
295.08395	3.2
295.11935	4.7
296.09164	1.7
304.09900	1.0
305.07645	0.9
306.07635	2.3
306.11188	1.3
307.08459	1.9
307.11981	6.0
308.05576	1.0
308.09149	14.2
308.12775	1.3
309.09750	1.8
309.13510	2.5
310.07471	0.4
310.10669	10.5
310.14316	2.0
311.11060	0.9
320.09241	1.2
320.12750	1.1
321.09778	0.5
322.07266	1.7
322.10687	26.2
323.07764	2.4
323.11322	4.6
324.08612	10.2
324.12262	5.4
325.09076	0.6
325.12680	0.7
336.08734	0.8
336.12213	5.2
337.09271	0.8
337.13065	7.6
338.10107	22.5
338.13843	36.2
339.10773	7.4
339.14215	1.0
340.11395	0.8
340.15213	0.9
351.11942	0.7
352.11697	5.4
353.12363	5.8
353.16180	40.1
354.13281	46.8
355.13702	2.3
366.12952	1.0
366.17154	2.6
368.14886	100.0
369.15186	7.5
373.05786	0.5
380.14615	0.6
413.10645	0.5
419.91641	0.6
443.15811	0.6
501.16995	0.6
503.18765	1.2
504.19897	3.6
517.19391	1.6
519.17743	5.5
520.30267	0.6
534.20172	3.8
548.20874	0.8
549.22174	8.1
649.79742	0.6
667.22791	29.8
668.23022	2.5
684.23053	12.1
685.23206	0.8
699.25281	35.5
699.43030	3.3
700.25299	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	699.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62121	0.3
55.05471	0.7
57.07046	0.3
67.05502	1.9
69.07023	0.7
70.55426	0.5
76.26854	0.4
79.05425	1.3
81.07047	1.8
83.08562	0.7
91.05416	1.0
93.06966	1.2
95.04964	2.0
95.08537	1.2
105.06970	0.7
107.08499	0.9
109.10085	0.7
118.69820	0.4
121.10067	0.5
123.04345	0.5
131.08467	0.4
133.10059	0.8
147.11633	0.5
148.16336	0.3
149.04689	2.2
149.09628	0.4
150.05414	0.8
151.03876	5.4
162.05428	0.6
167.05661	0.9
170.80052	0.3
181.07249	1.0
194.08141	1.7
196.05974	0.7
249.07750	0.8
250.08446	0.7
251.09413	1.2
252.10077	0.5
264.10095	0.8
265.08438	0.9
266.08167	0.8
266.11554	0.5
267.08774	0.5
270.07758	0.4
277.07440	0.9
277.21329	0.4
278.08020	1.6
278.11710	0.5
279.08807	1.6
279.12476	1.0
280.06732	0.6
280.09665	4.3
281.10190	0.4
282.11169	0.8
292.09689	0.9
293.07645	0.8
293.10437	1.0
294.07553	3.4
294.11166	3.6
295.08340	2.8
295.11945	1.5
295.22565	1.2
296.09113	1.5
304.09625	0.7
305.07950	1.1
306.07617	1.1
306.10956	0.6
307.08411	1.7
307.11981	2.4
308.05545	0.7
308.09143	9.2
308.12790	0.8
309.09839	1.2
309.13556	1.0
310.10678	8.6
310.14340	1.0
320.09244	1.0
321.09976	0.6
322.07401	0.8
322.10678	18.2
323.07730	1.4
323.11316	2.8
324.08578	5.7
324.12247	3.6
327.87729	0.4
336.08636	0.5
336.12222	1.0
337.09418	0.6
337.13031	6.2
338.10114	19.0
338.13846	12.8
339.10751	4.7
339.14011	0.6
351.12195	0.5
351.25192	1.0
352.11725	4.8
353.12366	4.5
353.16168	17.2
354.13275	25.6
355.13632	1.5
368.14862	100.0
369.15195	5.6
457.14426	0.4
487.14182	0.3
488.16269	0.4
503.18918	1.1
504.20322	1.6
519.17450	4.2
534.19867	3.7
548.21606	0.8
549.22162	4.4
550.22345	0.4
563.39404	0.6
611.94885	0.4
667.22522	2.1
684.22949	8.3
685.23792	0.5
698.43073	1.0
699.25311	21.5
699.43616	6.2
700.25714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72446	0.6
58.37798	0.6
65.03886	1.4
67.05503	2.9
70.02670	1.3
79.05449	1.3
80.86691	0.6
81.07036	1.1
85.20711	0.5
88.42482	0.5
91.05428	1.2
93.06992	1.0
95.04942	2.9
98.23322	0.7
105.03355	1.4
105.07021	0.7
107.95631	0.6
108.02055	1.1
109.02840	1.3
121.02801	1.4
121.04002	0.7
122.03566	0.9
127.57739	0.6
137.02303	0.8
149.04695	4.5
150.04533	0.5
150.05481	5.2
151.03879	32.7
152.04059	0.7
154.02524	1.8
162.05463	1.0
164.07098	0.6
165.40010	0.5
167.05659	0.6
176.03375	0.6
176.98949	0.6
194.07999	0.9
249.07767	1.5
250.08459	1.4
251.09341	0.8
252.10133	1.2
255.05217	0.9
262.08569	0.8
264.10178	2.0
265.08472	0.7
265.10925	1.0
266.08191	1.3
266.11688	1.9
267.08847	1.3
270.07581	2.8
272.09076	0.8
277.08218	0.9
277.11072	1.0
278.08066	3.5
278.11432	1.2
279.08813	1.8
279.12427	2.5
280.09659	10.6
281.10245	0.7
282.11234	1.3
291.08774	0.7
292.09476	2.7
293.07663	0.8
293.10428	2.0
293.13419	0.7
294.07626	3.2
294.11154	6.2
295.08432	3.1
295.11981	5.4
296.09186	1.5
296.12485	0.7
300.08600	2.1
304.09811	0.7
305.07806	0.7
306.07574	2.1
306.11044	1.4
307.08499	2.0
307.11978	5.3
307.22620	0.9
308.09094	14.0
308.12781	1.4
309.09814	1.8
309.13562	2.1
310.10748	10.9
310.14343	2.0
318.31641	0.6
320.09290	1.7
320.12860	1.5
322.10681	27.1
323.07776	1.8
323.11389	6.0
324.08612	11.0
324.12274	6.8
325.09027	0.7
336.08679	0.7
336.12320	3.9
337.09241	1.0
337.12982	9.4
338.10095	23.8
338.13843	36.7
339.10727	5.1
339.13763	0.9
339.14594	1.4
340.11893	0.8
350.14117	0.8
352.11731	6.1
352.15530	0.9
353.12387	5.0
353.16165	39.8
354.13257	45.9
355.13574	3.0
366.12970	1.1
366.17068	1.9
368.14859	100.0
369.15302	7.6
427.13181	1.0
487.14990	1.1
488.15454	1.3
501.16321	0.8
503.19284	4.3
504.20181	5.4
516.19141	0.7
517.19208	1.1
519.17474	4.2
534.19940	3.8
548.21405	0.9
549.22089	4.4
609.18622	0.8
637.17847	1.2
667.22693	69.1
668.22815	6.1
684.23004	7.3
699.25275	23.0
699.44666	1.6
700.25800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.7
69.03432	0.8
69.75494	1.9
79.05484	1.1
83.05029	0.8
91.05484	1.0
93.07040	0.9
95.05015	0.6
96.69740	0.6
105.03388	1.7
105.06983	0.8
119.04958	0.7
151.03889	1.2
160.79504	0.6
203.05296	1.0
266.26031	0.7
281.10519	0.7
322.11249	0.9
333.13669	0.7
339.08755	0.9
339.14835	0.6
342.11404	3.1
356.13141	0.7
357.13531	2.4
358.11194	1.0
363.14575	1.5
365.10522	1.1
368.08932	1.2
369.09967	2.3
369.14008	0.7
370.10773	5.3
372.12286	1.4
373.10651	0.7
382.10880	1.5
384.12350	3.0
385.12918	2.2
386.10223	2.9
396.12616	1.0
397.13016	1.6
398.10004	9.0
399.10571	1.2
400.11511	3.0
401.12430	2.8
404.65692	0.7
412.11658	2.8
413.12567	13.5
414.09698	2.5
415.13837	1.3
416.14886	3.1
426.13248	1.3
428.10431	1.2
428.14899	2.9
429.11948	2.2
431.15076	2.3
439.14160	0.8
440.11630	0.9
442.17010	1.3
443.17935	3.4
444.14392	45.4
445.14780	2.7
458.16272	1.8
459.16730	23.9
460.16986	1.3
470.16132	1.3
472.13544	4.2
474.18851	0.7
487.16245	4.9
488.16898	1.0
501.17325	0.9
502.18564	100.0
503.19025	6.5
537.30219	7.5
549.22607	1.5
637.18073	1.9
667.22400	3.2
684.23267	1.7
699.24988	22.4
699.35553	36.2
700.25604	2.2
700.36261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.7
69.03432	0.8
69.75494	1.9
79.05484	1.1
83.05029	0.8
91.05484	1.0
93.07040	0.9
95.05015	0.6
96.69740	0.6
105.03388	1.7
105.06983	0.8
119.04958	0.7
151.03889	1.2
160.79504	0.6
203.05296	1.0
266.26031	0.7
281.10519	0.7
322.11249	0.9
333.13669	0.7
339.08755	0.9
339.14835	0.6
342.11404	3.1
356.13141	0.7
357.13531	2.4
358.11194	1.0
363.14575	1.5
365.10522	1.1
368.08932	1.2
369.09967	2.3
369.14008	0.7
370.10773	5.3
372.12286	1.4
373.10651	0.7
382.10880	1.5
384.12350	3.0
385.12918	2.2
386.10223	2.9
396.12616	1.0
397.13016	1.6
398.10004	9.0
399.10571	1.2
400.11511	3.0
401.12430	2.8
404.65692	0.7
412.11658	2.8
413.12567	13.5
414.09698	2.5
415.13837	1.3
416.14886	3.1
426.13248	1.3
428.10431	1.2
428.14899	2.9
429.11948	2.2
431.15076	2.3
439.14160	0.8
440.11630	0.9
442.17010	1.3
443.17935	3.4
444.14392	45.4
445.14780	2.7
458.16272	1.8
459.16730	23.9
460.16986	1.3
470.16132	1.3
472.13544	4.2
474.18851	0.7
487.16245	4.9
488.16898	1.0
501.17325	0.9
502.18564	100.0
503.19025	6.5
537.30219	7.5
549.22607	1.5
637.18073	1.9
667.22400	3.2
684.23267	1.7
699.24988	22.4
699.35553	36.2
700.25604	2.2
700.36261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92683	0.2
67.05480	0.3
70.85754	0.2
81.07050	0.6
91.05449	0.3
93.07023	0.3
94.81316	0.2
95.04954	0.3
98.86414	0.2
103.57722	0.3
105.03349	0.2
111.56290	0.2
185.04124	0.4
283.63385	0.3
301.19809	0.4
347.09528	1.0
412.11526	0.3
444.14270	0.4
459.16644	0.3
502.18457	1.0
537.30231	14.9
538.30811	1.1
647.99109	0.3
699.35461	100.0
700.24481	0.5
700.35858	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	699.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.01873	0.5
55.05517	0.9
57.03433	1.5
58.04974	0.4
58.06596	0.6
59.04992	0.9
61.02918	3.4
65.03922	0.5
67.05498	4.1
69.03411	2.6
69.07050	1.1
69.78915	1.0
70.17747	0.5
71.04997	1.3
73.02909	2.5
79.05481	4.3
81.03408	4.6
81.07044	2.9
83.04982	1.0
83.08620	1.0
85.02882	3.9
87.04459	0.6
91.03951	2.6
91.05431	2.4
93.07034	3.2
95.04941	5.0
95.08614	1.3
97.02876	3.7
97.06535	1.1
97.10160	0.9
99.04435	0.6
101.02401	1.7
105.03381	15.7
105.04552	2.2
105.07021	2.3
106.03749	1.0
107.08550	2.6
109.02885	0.7
109.06511	0.6
109.10136	1.0
117.07004	0.6
119.08598	1.2
121.06538	1.7
121.10159	1.7
127.03938	1.5
127.05582	0.5
131.08632	0.7
133.10152	1.0
135.11684	3.7
137.06189	0.5
145.10129	1.0
147.11694	0.9
149.09616	1.3
153.12817	0.5
157.10097	0.8
163.11232	1.3
193.12250	0.9
203.05214	0.7
221.11584	0.9
243.08554	1.6
267.16046	1.0
283.15207	3.5
288.13733	0.8
290.15439	0.9
294.57266	0.5
308.16437	0.6
339.17911	0.8
377.26144	0.5
439.19330	8.4
439.25223	0.5
440.19952	0.5
501.22867	8.6
501.29431	0.7
578.23938	0.8
593.51764	0.6
617.04883	0.6
655.60388	0.6
699.35571	100.0
700.26166	13.7
700.35657	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	700.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29807	0.4
57.03401	0.7
58.06582	0.5
65.03931	1.4
69.03402	1.9
70.06550	0.7
73.02891	0.7
81.03396	0.7
85.02901	2.5
91.04936	0.8
91.05466	10.5
97.02885	0.9
99.04440	0.8
107.04901	0.6
117.03352	1.1
119.04929	20.6
137.05952	3.6
145.02809	2.1
147.04387	21.7
152.24976	0.5
156.04237	0.7
157.03943	2.3
160.05054	0.7
161.15379	0.6
165.06996	0.6
173.13203	0.9
174.03149	0.7
175.03882	36.5
175.07506	2.2
177.05446	4.0
179.07042	1.4
183.07959	1.0
187.07478	0.9
192.04166	1.5
193.08917	0.5
205.08560	0.6
207.06494	100.0
208.06865	2.1
211.07538	1.1
235.09679	0.6
243.10074	3.8
243.88438	0.7
328.04510	2.3
339.10690	0.7
351.10568	1.3
359.13153	0.7
369.11844	6.4
376.24628	0.7
632.59717	0.6
700.34766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29807	0.4
57.03401	0.7
58.06582	0.5
65.03931	1.4
69.03402	1.9
70.06550	0.7
73.02891	0.7
81.03396	0.7
85.02901	2.5
91.04936	0.8
91.05466	10.5
97.02885	0.9
99.04440	0.8
107.04901	0.6
117.03352	1.1
119.04929	20.6
137.05952	3.6
145.02809	2.1
147.04387	21.7
152.24976	0.5
156.04237	0.7
157.03943	2.3
160.05054	0.7
161.15379	0.6
165.06996	0.6
173.13203	0.9
174.03149	0.7
175.03882	36.5
175.07506	2.2
177.05446	4.0
179.07042	1.4
183.07959	1.0
187.07478	0.9
192.04166	1.5
193.08917	0.5
205.08560	0.6
207.06494	100.0
208.06865	2.1
211.07538	1.1
235.09679	0.6
243.10074	3.8
243.88438	0.7
328.04510	2.3
339.10690	0.7
351.10568	1.3
359.13153	0.7
369.11844	6.4
376.24628	0.7
632.59717	0.6
700.34766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
57.03430	1.1
65.03935	0.6
67.05486	0.7
68.67723	0.5
69.03401	2.6
70.06587	0.5
71.45969	0.5
79.05476	2.2
80.05014	1.3
80.05759	0.6
81.03406	1.1
81.05788	0.7
81.07063	0.8
82.06572	1.0
85.02898	3.5
90.94901	0.5
91.05473	3.4
92.01990	0.5
92.04976	0.8
93.05766	0.7
93.07035	4.2
94.06553	6.8
95.04961	1.4
95.07327	4.8
96.08121	12.6
97.02887	1.8
97.06532	1.5
97.62231	0.5
103.05455	1.2
106.06555	0.8
107.07375	0.5
108.04462	0.7
108.08105	9.3
109.02837	0.6
109.08911	1.1
110.06039	0.8
110.09659	21.5
111.09991	0.5
115.03915	0.6
116.04972	2.0
118.06538	1.3
119.04941	1.8
120.04449	5.3
120.08085	17.0
122.05997	3.7
122.09642	0.8
123.06794	0.7
124.07572	4.9
127.03905	1.4
131.04933	0.5
134.05983	1.2
136.07549	7.3
137.05975	1.9
138.05499	3.8
138.09119	32.9
139.09410	0.7
144.04440	3.8
145.04956	0.7
146.05981	5.1
147.04402	1.8
148.03928	0.7
148.07553	5.4
150.05487	1.5
150.09151	1.5
152.07091	1.5
160.03914	2.1
160.07480	0.6
162.05455	3.1
164.07021	1.3
166.05005	3.9
166.08611	56.2
167.08920	0.7
172.03911	25.5
174.05505	1.3
175.03857	2.7
175.07529	1.2
176.07181	0.7
177.05374	0.5
178.04988	0.8
184.09923	0.8
187.07516	0.6
190.04956	12.5
192.06575	0.7
196.09869	0.6
197.10635	1.2
198.11502	0.8
199.12393	0.6
204.06551	10.6
205.08690	0.7
207.06483	8.2
208.09888	0.8
209.10765	1.5
209.15318	2.4
211.12358	0.9
212.09409	2.0
213.10193	1.2
217.08643	0.5
223.08591	1.0
223.12294	1.2
224.09442	2.8
225.10217	3.9
226.10861	1.0
227.11813	1.2
234.09183	0.6
235.08856	0.9
236.09195	2.5
237.10211	10.4
238.10982	1.5
239.08179	1.5
239.11768	2.4
240.08821	0.8
241.09679	2.1
245.12645	1.2
247.14409	3.1
247.16653	0.5
249.10391	0.9
250.07320	1.4
250.11021	1.2
251.08154	1.1
251.11775	8.8
252.08936	1.5
252.12425	1.1
253.09686	5.6
253.12206	0.7
253.13344	0.7
255.11261	2.1
256.11746	0.5
261.10388	0.8
262.10941	0.5
263.11761	1.7
264.08914	1.3
265.09662	16.5
266.10403	2.3
267.11240	2.5
268.08432	0.8
269.12683	0.6
271.10757	3.1
273.12250	5.6
278.06638	6.0
278.09787	0.8
279.11206	8.7
280.08401	1.6
280.12021	1.2
281.09192	1.8
281.12872	1.8
282.10019	0.8
283.10782	5.3
285.12317	1.6
289.09601	0.7
291.11252	0.8
292.08130	2.3
293.09149	12.1
294.09814	3.7
295.10547	1.4
296.11548	0.7
297.12256	5.6
299.10291	1.8
299.13611	0.5
300.10947	1.3
307.10675	3.8
309.12228	3.0
311.10162	1.7
312.11066	3.2
313.11685	4.0
323.10208	0.9
325.11746	17.8
327.13315	0.8
335.10269	7.1
340.10532	1.3
341.11301	14.8
343.12909	1.7
347.16092	0.8
353.11261	11.0
357.14383	4.4
371.12125	0.6
373.13867	9.1
385.13852	5.1
418.17911	0.7
437.19666	0.9
442.17328	0.9
444.19467	0.6
460.18826	1.4
462.20013	1.4
465.19012	6.0
478.19669	4.6
488.18091	6.7
506.19147	100.0
507.19543	6.3
510.22174	1.5
520.20453	2.7
538.13452	1.0
538.21741	19.2
539.22003	1.1
700.32532	1.8
724.41370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.8
51.02149	0.5
51.02364	2.4
53.03932	2.8
69.14078	3.2
70.86366	0.5
77.03918	3.9
79.05494	0.7
87.15138	0.5
87.18682	0.5
91.05466	1.6
95.04955	15.9
97.29653	0.4
105.03380	93.1
105.04403	7.0
105.07014	1.2
106.03672	0.7
108.08111	0.8
109.81927	0.5
110.06024	0.8
117.06992	0.8
120.23622	0.5
121.06511	0.8
123.99419	0.5
124.07560	0.9
128.06210	0.8
129.07056	0.6
133.06461	0.6
141.06886	0.6
143.08554	0.8
144.08093	1.0
145.06490	0.7
145.08824	0.6
146.09619	1.1
148.07640	0.8
155.08513	1.0
157.08882	2.5
159.08015	0.6
160.07507	1.3
165.06979	0.8
167.08463	0.7
172.07529	2.4
173.08345	5.2
174.09149	2.9
178.07762	0.6
179.08475	1.3
186.74660	0.5
190.08650	0.6
192.09262	0.9
193.10023	2.4
195.08093	0.8
195.11739	0.6
198.09146	1.5
200.10681	0.8
203.08533	1.1
204.09372	2.1
205.10106	1.5
206.10841	0.5
206.84544	0.5
207.11690	1.6
216.09383	1.0
217.10143	1.0
219.11578	2.5
221.09636	0.6
221.13254	1.1
231.11703	2.2
233.09744	0.7
233.13351	0.6
235.11276	1.3
246.12758	0.5
247.11444	0.9
247.13651	0.8
249.12775	1.2
259.11179	1.6
262.15900	1.4
264.13834	0.7
272.14432	2.1
273.15024	0.6
274.12344	1.1
275.13120	0.7
278.15482	0.5
280.17072	0.5
288.13687	3.1
289.14642	0.6
290.15359	6.8
300.13892	0.9
306.14835	1.1
308.16434	3.8
318.14862	2.3
326.17438	0.6
336.15826	3.0
348.15863	0.6
350.17538	1.5
354.16940	1.3
368.18378	0.7
378.17184	0.8
396.17700	0.6
412.19202	1.0
414.19153	1.5
458.19821	0.6
472.21188	0.9
476.20636	0.9
500.20300	0.6
518.99561	0.5
536.22784	0.6
578.23932	4.4
640.25476	1.2
700.27368	100.0
701.27594	9.3
701.39581	0.7
724.43616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.5
51.02371	2.0
53.03938	2.6
59.62656	0.5
65.91235	0.5
77.03911	3.7
79.05483	0.5
88.24389	0.4
91.05472	1.1
93.07043	0.5
94.06554	0.6
95.04953	16.2
96.08103	0.5
105.03379	86.9
105.04404	6.7
105.07023	1.4
106.03708	1.1
108.08109	0.8
110.06028	1.0
117.07014	0.7
120.08110	0.5
121.06480	0.5
129.06989	1.1
131.04901	0.4
131.07277	0.5
131.08586	0.5
135.37015	0.5
143.08498	1.0
144.08084	1.1
145.06485	0.7
146.09627	1.5
147.08028	0.6
148.07559	1.3
150.09160	0.6
153.06956	0.7
155.08504	1.0
157.08875	1.7
158.09605	0.6
160.07533	2.4
162.09084	0.6
165.07007	0.8
167.08472	1.4
172.07574	1.9
173.08344	5.8
174.09154	2.2
178.07773	0.5
179.08485	1.0
181.10141	1.2
191.08539	0.7
191.47629	0.5
192.09241	1.1
193.10095	1.7
197.08318	0.6
198.09065	2.2
203.08531	1.0
204.09372	1.5
205.10162	1.2
206.10858	0.6
207.11678	1.6
216.09088	0.9
217.10136	0.6
218.10951	0.8
219.08163	0.5
219.11743	2.1
221.13329	0.7
229.10007	0.7
231.11688	1.7
232.11450	0.6
233.09648	0.7
233.13257	1.0
235.11099	1.3
236.10713	0.5
237.12787	0.9
246.12808	0.8
247.11131	1.1
247.13463	0.5
248.45453	0.4
249.12860	0.6
250.12309	0.5
259.11273	0.6
260.10916	0.5
260.14172	0.6
262.15924	1.2
272.14291	2.5
274.12283	1.6
276.13782	0.6
278.11902	0.5
278.15240	0.7
280.16977	0.9
288.13803	3.1
289.14676	0.5
290.15314	7.0
300.13864	1.0
304.13425	0.4
306.14819	1.5
308.16312	3.9
318.14886	2.0
326.17548	0.8
336.15765	3.0
350.17404	0.9
354.16965	1.3
368.18344	0.6
372.17932	1.1
378.17090	0.7
408.08301	0.5
412.19183	0.6
414.19327	1.5
440.18155	0.6
470.19180	0.5
472.20966	0.7
476.20325	0.8
500.20447	1.2
520.77039	0.5
536.22479	0.6
545.97980	0.5
578.23682	4.9
594.48242	0.6
625.15271	0.5
640.25018	1.3
700.27386	100.0
701.27832	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	700.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.41553	0.3
57.03439	0.6
58.18621	0.3
61.02909	0.8
61.84707	0.3
65.03953	0.5
69.03413	2.0
69.25718	1.4
69.26134	0.6
71.04993	0.4
73.51121	0.4
79.05470	0.8
79.47330	0.3
81.03395	1.6
81.07030	0.8
85.02892	7.0
86.87917	0.3
90.61421	0.3
91.03925	0.4
91.05461	0.7
93.03419	0.6
94.04163	1.4
97.02893	2.1
99.04423	0.5
103.05449	1.0
107.04964	0.6
109.02869	0.6
109.06493	1.0
111.04427	0.9
115.05440	6.4
117.06995	1.3
119.04882	0.4
119.08550	0.4
122.03614	2.8
125.05981	0.9
127.03888	2.0
128.06206	1.0
129.06978	4.3
131.04887	2.6
131.08490	0.4
133.02795	0.5
133.10054	0.4
137.05954	68.8
138.06290	1.2
139.28474	0.4
143.04904	9.8
144.05632	1.3
145.04976	1.9
145.06418	1.8
147.04454	0.4
149.05995	0.5
151.03885	1.0
151.07562	0.8
153.05380	2.0
155.06029	0.4
157.06464	4.2
158.07259	0.3
158.09683	0.4
160.05179	15.1
161.05911	1.9
162.07649	0.4
163.07501	2.4
164.06781	0.4
165.05403	0.5
171.07945	0.4
172.05151	2.7
173.05939	1.1
174.06703	2.1
175.07513	100.0
176.07835	2.4
177.05396	0.6
177.09053	0.4
179.06955	0.5
180.08710	0.7
185.05956	0.4
187.07509	33.4
188.07890	0.7
189.07307	0.3
189.09047	7.1
193.08586	0.5
196.05190	0.4
199.07463	0.6
203.08490	1.7
205.08571	21.7
206.08893	0.6
211.07408	1.6
217.08585	3.2
219.08034	1.3
220.08675	0.4
231.08037	1.7
232.08733	0.5
235.09608	28.2
236.10052	0.8
239.06979	0.9
240.07779	0.7
247.07448	0.6
248.08308	1.4
251.10579	1.1
255.06435	1.1
256.07202	0.6
259.07495	0.8
263.10611	1.9
265.08517	0.4
269.07806	0.4
270.08853	2.1
271.09720	2.9
274.46481	0.4
275.80630	0.3
276.07706	1.2
277.08350	0.6
279.10205	1.6
280.10928	0.6
283.09579	0.9
291.10095	5.1
296.10202	0.7
297.10965	0.4
308.10379	0.4
311.12714	2.2
313.14008	0.3
323.12717	5.8
324.12842	0.4
340.11691	0.4
341.13785	9.5
342.13403	0.4
369.77200	0.4
386.12088	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01868	5.2
55.02114	0.9
55.05503	9.4
57.03433	7.9
57.07060	3.5
59.04992	1.7
61.02916	5.5
65.03917	1.5
67.05495	12.5
68.24743	0.9
69.03421	21.3
69.07059	10.2
69.32953	5.0
71.01345	2.6
71.04984	4.9
73.02909	21.7
78.18922	1.1
79.05490	9.2
81.03400	4.8
81.07044	25.3
81.07495	1.9
83.04971	22.1
83.08615	10.1
85.02891	35.8
85.06509	5.0
87.04456	2.5
91.03958	1.2
91.05466	9.7
93.07032	18.8
95.04955	54.1
95.08590	15.1
97.02878	27.0
97.03477	1.8
97.06513	11.7
99.04433	9.1
103.03946	1.7
105.07010	16.6
107.08575	33.6
109.02872	4.9
109.06503	31.0
109.10138	39.8
111.08057	7.4
113.09636	2.5
114.20007	0.8
115.03908	12.7
115.05500	1.0
115.07572	5.7
117.07015	2.9
117.62649	1.0
119.08560	15.9
121.06491	2.2
121.10124	25.1
121.55466	1.0
123.08049	6.1
123.11681	10.7
125.09600	5.6
125.13236	1.1
127.03906	14.8
127.07561	1.4
129.07011	1.3
130.51161	0.9
131.08546	14.3
133.04953	12.8
133.10109	62.9
135.08038	15.1
135.11662	16.9
137.05971	4.4
137.09595	1.2
137.13213	1.2
139.11153	9.8
141.09138	1.1
143.08543	2.9
144.09370	2.0
145.04921	14.1
145.10121	8.6
147.11658	11.8
149.09648	1.5
149.13239	23.3
151.07529	1.1
151.11180	9.2
153.09076	20.2
153.10240	1.5
154.09480	1.1
158.10887	6.5
163.06023	7.6
163.11169	1.7
163.14810	7.0
165.12738	4.0
167.14299	12.1
169.12158	1.7
171.10138	3.2
171.11583	1.2
173.13235	52.3
175.07460	5.2
175.14803	12.7
181.15822	1.4
187.07484	2.1
189.09125	1.2
191.14279	75.2
192.14662	2.4
193.15790	2.1
205.08629	1.5
209.15338	100.0
210.15671	3.3
213.12639	1.0
223.05830	1.6
227.16402	33.5
235.09647	2.4
241.07045	3.0
259.08148	4.3
285.13110	1.2
295.10309	2.9
305.17468	1.4
315.14301	1.0
319.15472	1.1
323.18228	2.1
335.18628	1.3
341.19440	4.5
353.19525	4.6
371.20523	6.0
371.92862	1.1
409.78284	1.0
554.39020	1.0
733.15979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01866	5.2
55.05504	25.4
57.03432	19.5
57.07071	3.5
61.02914	11.0
65.03943	3.5
67.05497	88.7
69.03412	10.2
69.07054	17.1
69.66248	7.1
71.04980	6.3
73.02898	3.5
73.35455	2.0
79.05482	64.5
79.44304	1.5
80.60088	1.4
81.03422	11.8
81.07047	75.7
83.04984	7.7
83.08604	11.0
85.02901	13.4
85.06531	7.1
91.03919	5.4
91.05466	57.2
93.06438	3.5
93.07031	72.3
93.39119	1.5
95.04955	27.2
95.08592	56.5
97.02879	6.4
97.06535	6.8
97.10126	3.3
99.04453	5.7
99.08073	3.8
102.94168	1.8
105.03376	4.1
105.04514	2.4
105.07015	33.8
107.04941	5.0
107.08578	27.3
109.06500	3.1
109.10142	23.5
111.04430	2.7
111.08060	4.8
113.06023	2.4
115.03873	1.7
115.05401	1.7
117.07008	11.2
119.08562	26.2
121.06534	2.8
121.10128	36.7
122.84846	1.5
123.08061	5.5
123.11704	8.7
125.09634	1.8
128.06212	2.8
129.07037	1.7
131.08560	14.1
133.10107	26.6
135.08044	4.2
135.11671	28.1
137.09576	8.7
137.13208	2.2
139.11142	4.7
143.08522	6.6
145.10107	13.9
146.44330	2.0
147.11676	9.1
149.09560	3.1
149.13260	7.0
151.11177	8.1
157.10089	3.5
159.11684	8.7
161.09595	7.3
161.13286	3.2
163.11130	13.2
165.07028	1.6
171.11674	3.8
173.13275	5.0
173.56744	1.7
179.10652	10.8
187.13199	1.9
187.14767	2.5
197.11708	7.0
203.17894	3.5
213.14705	2.6
215.17964	17.0
221.19026	4.0
227.12729	14.3
231.17513	2.0
233.18936	15.3
253.14339	6.8
271.15378	87.0
272.15811	2.5
273.18362	2.7
275.20166	2.5
283.15417	22.8
295.22714	18.6
296.23071	2.1
307.22626	100.0
308.23050	3.2
312.27151	1.8
353.45346	2.0
374.51901	1.7
393.27771	3.2
409.25842	1.7
411.28958	3.0
429.30011	2.4
461.33142	2.1
485.32449	7.2
503.33609	70.4
504.33716	3.9
620.68115	1.8
700.26422	3.2
700.44574	21.3
701.45294	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	700.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
55.05499	18.8
55.05748	2.3
57.03430	14.2
57.07074	7.1
57.20482	1.6
59.04998	2.7
61.02920	6.8
63.84772	1.6
65.03941	2.8
67.05152	3.5
67.05498	53.7
69.03419	2.7
69.07061	13.5
71.04979	2.5
71.08628	2.2
71.68410	1.7
73.02903	2.3
76.54491	1.7
79.05482	30.7
81.03416	6.4
81.07048	56.1
83.01343	6.0
83.04985	10.1
83.08591	10.0
85.02888	8.3
85.06518	2.2
85.10139	1.8
89.22521	1.5
91.03957	1.9
91.05455	26.8
91.05975	2.1
92.86698	1.5
93.07030	34.4
93.07590	2.6
95.04964	9.2
95.08593	48.5
97.02910	5.3
97.06511	11.3
97.10174	3.5
99.04443	4.0
99.08059	2.9
105.03390	3.0
105.07013	17.6
107.04971	6.1
107.08579	17.7
109.06535	4.7
109.10139	15.9
111.04464	2.2
111.08057	3.9
113.09695	3.8
117.06987	4.0
119.08556	17.5
121.02898	1.8
121.10134	17.4
123.08047	10.4
123.11670	8.7
125.09607	1.9
129.06992	3.5
131.08562	5.0
133.08665	1.9
133.10118	12.7
135.08070	3.0
135.11685	13.4
137.09615	4.0
137.13281	5.7
145.10132	10.0
147.08018	2.0
147.11702	6.2
149.13271	1.6
151.11189	3.2
159.11633	2.0
161.13210	4.1
162.05476	2.5
163.11151	13.7
181.12270	2.5
189.11290	1.8
191.10677	1.7
194.08182	7.5
203.17903	19.5
204.18536	1.6
209.11758	4.3
215.12692	2.3
215.17888	2.6
221.18961	23.6
227.12796	4.7
233.19095	1.7
233.46075	1.7
271.15305	10.2
277.21487	1.6
283.15347	100.0
295.22635	31.5
307.22620	16.2
308.09241	2.0
333.20322	2.7
334.20483	1.7
368.11411	2.6
430.60687	1.9
465.54840	1.7
503.33624	40.4
504.34387	2.6
700.26971	2.3
700.44562	56.2
701.46808	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	700.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78538	0.8
51.02366	1.3
53.03931	2.5
55.01869	5.2
55.05502	14.0
57.03429	8.7
57.07068	1.6
59.35522	0.8
61.02921	3.0
61.93641	0.8
65.03921	2.9
67.05495	51.2
69.03418	4.2
69.07053	9.5
71.04982	4.2
71.43163	0.8
73.02915	1.0
79.05483	34.8
81.03403	4.1
81.07045	46.2
83.04958	6.6
83.08624	5.3
85.02877	3.3
85.06522	6.4
85.79137	1.1
91.05468	33.5
93.06435	2.0
93.07031	36.9
95.04960	8.3
95.08595	17.9
97.02884	1.9
97.06522	3.3
99.04441	1.8
99.08092	2.4
103.90645	0.9
105.03376	2.0
105.04494	1.6
105.07014	27.1
107.08577	27.4
109.02901	1.1
109.06485	4.6
109.10139	47.3
110.10501	1.0
111.08063	1.7
113.05969	2.6
115.07521	1.0
117.07003	2.9
119.08560	7.0
121.10130	13.9
123.08081	2.5
123.11697	7.8
125.09638	1.7
127.07533	2.2
131.08556	7.7
133.10107	53.2
134.10416	1.8
135.11674	9.4
137.09581	1.1
141.07018	1.0
143.08539	1.1
145.10117	6.1
147.11673	4.0
149.09610	2.0
149.13237	4.1
150.05380	1.0
151.03870	6.3
151.11157	24.8
152.04239	1.3
159.11694	3.9
161.09669	1.9
161.13269	1.6
163.11189	2.4
169.12173	4.5
171.11699	1.1
173.13222	2.3
175.14809	0.8
179.10725	1.6
187.14835	1.1
188.71980	0.9
205.19455	1.0
215.12657	1.8
215.17894	11.2
233.18965	13.0
253.14307	100.0
254.14734	2.1
271.15347	35.0
275.20010	1.6
280.09695	2.4
281.09863	1.3
289.21860	1.2
294.11279	1.0
296.11874	1.1
307.11902	1.3
307.22626	54.4
308.09244	2.3
308.23019	2.4
309.09586	1.2
310.10791	1.5
311.10837	1.0
322.10693	3.1
323.11038	3.6
324.08487	1.3
324.12149	1.3
335.25601	1.1
338.10007	2.8
338.13644	5.0
339.10443	3.5
339.14157	5.1
353.12170	2.4
353.16208	3.0
354.12881	5.4
354.16690	4.0
355.13458	4.2
368.14941	9.1
369.15152	12.2
429.29846	1.3
430.90131	1.0
485.33023	5.1
498.05817	1.0
503.33591	41.7
504.19385	1.7
504.33618	2.8
583.60687	1.0
668.23047	16.8
669.23291	2.0
700.25665	5.0
700.44568	1.9
701.45612	4.9
725.75824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35885	1.8
53.03928	5.1
54.52984	1.5
55.01860	4.3
55.05505	22.9
57.03424	18.4
57.07061	2.8
61.02920	11.3
63.17728	1.9
65.03916	4.1
67.05494	81.2
69.03412	9.8
69.07053	18.6
69.42676	5.2
69.43085	3.8
71.01332	4.0
71.04966	5.3
73.02886	2.1
79.05479	65.8
81.03400	11.5
81.07040	67.2
83.04965	10.1
83.08610	10.9
85.02893	12.6
85.06532	5.3
86.09695	4.5
87.04548	1.9
91.03925	4.2
91.05463	52.0
92.05761	2.7
93.07028	57.3
95.04959	22.9
95.08011	3.4
95.08595	46.9
97.02875	6.3
97.06497	7.2
97.10148	4.0
99.04449	3.2
99.08089	3.1
103.62381	1.8
105.03376	4.0
105.04494	2.1
105.07008	33.8
107.04919	3.3
107.08578	21.6
109.06497	5.5
109.10148	26.4
111.04407	1.7
111.08121	2.8
113.09631	2.0
117.07004	9.7
119.08566	20.7
121.06480	3.1
121.10123	31.7
123.08028	6.7
123.11664	10.3
124.99994	2.7
125.09592	2.2
129.06970	2.7
131.08548	14.8
133.10103	29.7
135.08017	5.5
135.11679	19.8
137.09592	7.4
137.13148	2.0
139.11172	3.4
143.08551	4.7
145.10080	10.8
147.11696	8.8
149.09592	3.3
149.13239	6.1
151.11127	5.3
159.11714	10.6
161.09592	6.8
163.11142	4.4
171.11678	2.4
173.11836	1.9
173.13219	5.3
179.10583	7.9
184.07263	10.4
197.11676	5.6
197.13254	2.2
215.17906	13.0
231.17419	2.0
233.18999	13.9
253.14366	5.9
271.15350	69.5
272.15817	2.7
283.15225	9.1
295.22641	11.3
307.22610	100.0
308.22989	5.0
310.96744	1.7
335.25708	2.0
393.27640	2.8
461.32599	16.8
485.32504	4.4
493.42993	1.9
503.33582	42.9
521.34363	3.6
700.44214	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	701.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
57.07063	0.3
60.64409	0.2
67.05495	1.0
69.65561	0.2
69.65912	1.0
70.20987	0.2
79.05486	0.8
81.07053	1.0
91.05476	0.5
93.07012	0.5
95.04965	0.5
95.08599	0.6
98.23395	0.3
105.03407	0.5
105.07019	0.3
107.08578	0.3
109.10148	0.5
117.99785	0.2
119.08616	0.4
133.10185	0.3
149.02333	0.5
167.55505	0.2
185.04216	0.8
203.05223	2.1
218.75214	0.2
229.14355	0.3
246.43314	0.2
256.26468	0.5
259.07870	1.4
305.08350	0.3
321.22629	0.5
347.09341	1.1
353.36731	0.3
365.10498	3.2
421.12976	1.1
504.33942	0.4
509.10339	0.2
539.31812	18.7
540.32306	1.7
701.37018	100.0
702.37457	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	701.459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03445	0.8
57.07070	0.8
62.27707	0.6
67.05495	3.4
69.07061	1.7
79.05499	2.4
81.05866	0.7
81.07037	4.0
83.08609	0.6
89.06039	2.2
91.05489	1.3
93.07050	2.2
95.04981	1.5
95.08608	2.3
98.22586	1.3
105.07016	1.5
107.08627	2.2
109.10175	1.6
112.08449	0.7
117.07033	0.8
119.08631	1.1
120.04671	0.6
121.10154	1.4
129.46783	0.7
131.08575	0.8
133.08600	1.2
133.10127	1.6
145.10139	1.0
146.42328	0.8
151.03925	1.8
165.12766	0.9
177.11200	1.0
184.07483	1.1
212.04753	0.6
218.54166	0.7
299.84464	0.7
307.08765	0.7
308.09274	1.0
309.09482	1.0
310.10104	0.8
322.10721	1.6
323.11169	3.0
324.11673	1.4
325.12302	0.9
329.33450	0.7
333.20309	5.1
335.21982	4.6
338.10107	1.7
338.13751	1.9
339.10678	2.9
339.14261	1.8
340.10916	1.2
353.12408	1.2
354.13089	2.5
354.16925	0.9
355.13519	3.2
356.13998	1.8
368.14896	7.2
369.15167	10.4
370.15460	10.3
389.23138	3.0
391.24551	3.0
669.23590	1.0
686.23560	2.4
701.25861	5.7
701.45837	100.0
702.46069	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	702.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10738	0.4
57.80558	0.4
69.03403	0.6
69.55531	1.8
70.06580	99.6
71.04978	0.4
71.06921	0.6
72.86596	0.4
81.03401	2.0
81.07032	0.6
85.02896	1.6
89.03884	0.6
91.05463	0.8
95.08578	0.4
97.02872	1.2
107.08632	0.4
109.02862	4.8
112.07587	100.0
113.07215	0.4
113.07952	1.3
114.05494	0.6
116.07063	1.7
117.03355	2.1
119.04892	0.8
119.85342	0.3
121.10115	0.7
127.03916	1.0
134.03725	0.4
137.05939	1.2
140.07040	71.5
141.07375	1.4
145.02831	6.1
147.04408	0.6
149.05956	0.9
151.07475	0.9
158.08107	11.1
159.26744	0.4
175.03917	0.7
177.05444	11.9
177.16382	0.7
206.04552	0.5
207.06558	3.4
213.18401	0.7
219.10126	0.8
221.08015	0.5
230.10159	0.9
232.04518	0.4
242.10271	0.6
266.10205	5.7
267.12674	0.5
284.11243	18.2
285.11206	0.6
287.12692	0.5
302.12299	4.7
313.14093	0.5
331.15274	1.6
339.10703	0.7
346.14728	0.6
370.44269	0.4
387.83957	0.4
388.13782	0.5
521.05170	0.4
571.26025	0.4
714.69098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24421	0.4
57.03416	0.3
58.67971	0.4
69.03416	1.6
70.06580	100.0
70.81396	0.7
74.58651	0.4
75.12284	0.4
79.05473	0.5
80.25260	0.4
81.03418	2.1
81.07017	0.6
83.45862	0.4
85.02881	1.7
89.03923	0.9
91.05465	1.4
93.08623	0.4
97.02872	1.2
100.11241	0.9
103.05450	1.6
107.04910	0.5
107.14938	0.4
109.02862	4.6
112.07586	99.3
113.07947	1.4
116.07070	1.6
117.03355	3.4
117.07021	0.4
119.04952	1.1
123.08004	0.4
127.03886	1.6
129.07008	0.6
131.04897	3.6
137.05962	6.1
140.07042	59.5
141.07381	0.5
145.02811	6.4
149.05957	1.6
151.07515	4.5
158.08099	11.7
161.05963	1.0
163.07515	10.8
175.03917	0.7
175.07573	0.9
177.05458	13.0
177.09070	20.6
178.05936	0.5
189.09076	1.4
195.07986	0.5
195.10172	0.4
198.77721	0.5
200.09143	0.6
206.13898	0.4
207.06424	2.3
207.09610	0.5
216.06271	0.4
219.10112	0.6
221.09674	0.5
221.11646	6.1
223.07584	0.7
227.10634	1.2
230.10217	1.1
242.07007	0.4
253.12015	0.9
255.10138	1.5
266.10242	4.6
267.10199	0.6
284.11230	15.1
285.11279	1.1
287.05643	0.5
287.12695	2.5
302.12323	5.2
303.08389	0.5
311.12695	0.9
313.14291	1.1
321.09592	0.7
328.13904	0.9
331.15356	9.3
339.10547	0.9
343.15219	1.9
453.34155	1.4
702.37488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44810	0.7
54.02864	0.6
56.45884	0.6
61.02908	0.8
65.03918	1.4
67.05486	0.7
69.03424	2.7
70.06581	86.8
71.06898	0.8
79.05482	1.1
81.03389	3.7
81.07047	1.1
85.02891	6.0
89.03921	1.7
91.05470	11.1
97.02878	3.9
100.11221	2.2
103.05455	6.3
105.06990	1.1
107.04958	1.6
107.08578	1.2
109.02855	3.6
112.07587	87.3
113.07913	1.7
115.05404	0.6
116.07069	2.3
116.32538	0.7
117.03374	2.0
117.06982	2.4
119.04927	14.1
120.64230	0.6
121.06461	1.7
122.03635	2.0
123.08027	0.7
123.92719	0.7
127.03896	1.5
128.06200	1.1
129.06984	1.9
131.04901	16.5
132.02066	1.0
134.17403	0.7
135.07986	1.3
136.05150	0.7
137.05956	31.4
140.07039	57.0
141.07327	0.8
145.02821	8.5
145.04832	1.1
145.06532	0.8
146.03510	0.7
147.04372	11.4
149.05994	3.3
150.34241	0.7
151.07523	21.5
153.05397	1.0
154.24364	0.8
157.03941	1.9
157.06459	2.4
158.08113	11.6
161.05988	5.6
162.06709	1.3
163.07523	51.6
164.07948	0.8
165.09108	0.9
166.08582	1.1
167.08534	1.2
171.08014	0.7
174.06779	1.4
175.03870	24.8
175.07463	4.8
177.05551	12.2
177.09079	100.0
178.09413	2.2
179.07034	1.4
182.15327	0.8
189.05403	0.9
189.09074	7.4
195.08020	3.1
195.10103	2.4
207.06497	58.9
207.09743	1.4
208.06795	1.7
209.02344	0.6
209.09679	0.9
209.16611	1.1
210.14801	0.7
219.10107	3.2
221.05878	1.2
221.09659	1.8
221.11674	26.6
222.11923	0.7
223.07510	1.4
227.10616	4.6
230.10300	0.8
234.00580	0.7
237.09160	1.2
249.09035	1.2
253.08577	2.5
253.12135	2.5
255.10063	6.0
265.08560	1.3
266.10239	5.0
267.10153	1.2
269.08057	1.1
281.11728	0.9
284.11218	14.9
285.11197	3.9
287.12701	9.4
297.11111	0.7
299.12659	2.3
302.12286	4.6
311.12726	2.3
313.14368	6.0
331.15338	44.1
332.15659	0.7
343.15363	8.1
345.16760	1.3
369.11685	1.1
453.34271	3.8
508.19946	1.4
540.21582	1.1
567.35028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86882	1.0
53.03939	1.5
55.01871	1.4
57.03420	1.9
58.06564	1.5
61.02905	2.5
69.03418	6.8
70.06584	2.4
71.44643	1.0
73.02898	2.5
79.05476	1.1
81.03400	2.7
81.07043	1.6
85.02893	21.6
86.09708	1.4
87.04443	1.5
91.05463	6.3
93.07062	1.6
95.04930	2.2
95.08592	2.1
97.02879	13.0
99.04427	1.7
103.03912	1.1
103.05444	7.5
104.10714	1.6
105.06988	1.9
107.04918	1.5
109.02840	2.3
109.06525	1.6
112.07539	1.3
115.03927	2.5
117.07027	2.2
119.04906	4.7
119.08617	1.1
121.06473	2.2
122.03616	1.9
123.08160	1.1
127.03851	5.5
129.06956	2.7
131.04903	16.7
133.04927	2.7
135.08034	1.5
136.05023	0.9
137.05960	32.4
138.09105	0.8
139.93915	0.9
140.07109	0.8
145.02864	1.6
145.04926	4.8
145.06413	1.3
147.04372	3.7
149.05998	4.6
151.07527	31.9
157.06474	3.4
161.05962	6.3
161.09529	1.7
162.06644	2.1
163.07516	46.9
165.09045	1.6
167.07060	1.4
167.08510	2.3
174.06728	1.5
175.03824	1.3
175.07512	5.8
177.05502	3.6
177.09079	100.0
178.09412	2.2
179.05444	2.7
179.06943	1.2
189.09052	9.7
191.06950	0.9
193.10100	1.2
193.61444	0.9
195.08051	4.9
195.10129	2.4
204.06633	1.0
207.06354	1.9
207.10104	2.9
209.09610	1.6
210.22157	2.2
211.16809	1.3
212.08170	1.1
219.10051	1.4
221.05911	1.9
221.09540	2.6
221.11665	21.8
223.07524	2.1
224.08270	1.2
225.09113	2.2
227.10643	7.6
237.09145	1.3
240.07809	1.3
246.24213	3.2
249.09271	1.1
253.08539	2.6
253.12143	3.2
255.10092	6.6
267.10236	1.3
281.11636	2.3
285.11139	5.0
287.12708	13.6
288.75555	1.0
299.12738	2.0
311.12683	2.1
313.14288	12.8
331.15332	61.1
332.15717	2.0
343.15363	4.6
362.29785	1.0
570.34491	1.2
702.27484	4.3
702.37836	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86882	1.0
53.03939	1.5
55.01871	1.4
57.03420	1.9
58.06564	1.5
61.02905	2.5
69.03418	6.8
70.06584	2.4
71.44643	1.0
73.02898	2.5
79.05476	1.1
81.03400	2.7
81.07043	1.6
85.02893	21.6
86.09708	1.4
87.04443	1.5
91.05463	6.3
93.07062	1.6
95.04930	2.2
95.08592	2.1
97.02879	13.0
99.04427	1.7
103.03912	1.1
103.05444	7.5
104.10714	1.6
105.06988	1.9
107.04918	1.5
109.02840	2.3
109.06525	1.6
112.07539	1.3
115.03927	2.5
117.07027	2.2
119.04906	4.7
119.08617	1.1
121.06473	2.2
122.03616	1.9
123.08160	1.1
127.03851	5.5
129.06956	2.7
131.04903	16.7
133.04927	2.7
135.08034	1.5
136.05023	0.9
137.05960	32.4
138.09105	0.8
139.93915	0.9
140.07109	0.8
145.02864	1.6
145.04926	4.8
145.06413	1.3
147.04372	3.7
149.05998	4.6
151.07527	31.9
157.06474	3.4
161.05962	6.3
161.09529	1.7
162.06644	2.1
163.07516	46.9
165.09045	1.6
167.07060	1.4
167.08510	2.3
174.06728	1.5
175.03824	1.3
175.07512	5.8
177.05502	3.6
177.09079	100.0
178.09412	2.2
179.05444	2.7
179.06943	1.2
189.09052	9.7
191.06950	0.9
193.10100	1.2
193.61444	0.9
195.08051	4.9
195.10129	2.4
204.06633	1.0
207.06354	1.9
207.10104	2.9
209.09610	1.6
210.22157	2.2
211.16809	1.3
212.08170	1.1
219.10051	1.4
221.05911	1.9
221.09540	2.6
221.11665	21.8
223.07524	2.1
224.08270	1.2
225.09113	2.2
227.10643	7.6
237.09145	1.3
240.07809	1.3
246.24213	3.2
249.09271	1.1
253.08539	2.6
253.12143	3.2
255.10092	6.6
267.10236	1.3
281.11636	2.3
285.11139	5.0
287.12708	13.6
288.75555	1.0
299.12738	2.0
311.12683	2.1
313.14288	12.8
331.15332	61.1
332.15717	2.0
343.15363	4.6
362.29785	1.0
570.34491	1.2
702.27484	4.3
702.37836	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
53.38175	1.7
61.07647	1.6
67.99703	1.6
69.03425	4.9
69.88297	4.7
69.88648	3.6
76.78475	1.5
77.18511	1.5
79.05476	4.6
81.03408	5.1
83.04964	8.6
85.02889	9.9
85.68341	1.7
91.05466	11.3
94.04169	2.5
95.04935	2.5
97.02870	3.7
99.04444	13.8
103.03936	1.7
103.05450	47.3
105.07011	13.0
105.86854	1.7
107.04942	16.4
109.02861	6.2
115.05450	3.2
117.05447	1.8
119.04932	9.4
121.06493	3.2
122.03621	3.3
124.23425	1.8
127.03905	20.0
129.06979	5.4
130.04222	1.8
131.04909	86.1
131.08493	2.8
132.05203	2.2
133.06467	30.6
135.08040	7.1
137.05962	100.0
138.06348	2.7
141.05466	3.5
145.04926	3.5
145.06494	1.9
146.07231	2.3
147.04370	11.3
149.05998	5.3
151.03838	8.2
151.07526	14.4
157.06453	3.6
161.05959	55.6
161.09581	18.9
162.06650	2.8
163.07516	99.5
164.07907	2.2
165.09085	26.7
169.06529	3.2
171.08029	2.9
175.07524	8.6
177.05452	4.5
177.09010	10.6
179.06990	8.3
183.10178	25.7
189.09065	54.0
191.06978	6.1
193.06435	2.2
201.08977	2.4
203.06975	3.4
203.10661	4.6
207.10126	42.6
219.10153	3.7
221.06076	2.8
221.09718	2.2
221.11797	4.6
222.06744	2.1
225.08995	3.7
227.10609	3.0
233.08002	6.1
239.10429	2.3
253.12378	2.8
255.10216	2.1
281.11728	3.8
285.11169	6.4
287.12570	3.1
291.12152	19.1
293.11783	3.0
293.87784	2.0
297.11066	4.8
309.13321	18.2
313.14365	12.7
315.12418	8.4
315.15585	2.1
325.14285	10.5
327.14392	2.7
331.15359	28.6
333.13226	11.2
341.12198	2.1
341.76419	1.7
343.15430	12.8
345.13324	4.4
351.14224	3.8
363.14261	5.4
388.54224	1.8
439.17468	20.9
440.17508	2.1
451.17392	4.2
453.18539	2.5
457.18628	10.1
469.18585	9.1
471.71210	1.9
475.19431	2.8
531.14240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01848	2.5
63.67062	1.6
67.23467	1.7
69.03414	4.4
70.06580	2.9
70.68652	1.6
71.44101	2.0
79.05476	3.1
81.03399	7.1
81.07026	1.7
83.04966	14.0
85.02895	6.2
91.05476	9.0
94.04208	2.6
95.04936	3.1
97.02890	5.1
99.04444	18.5
103.03928	3.1
103.05452	34.2
103.43351	1.5
105.03379	4.9
105.04494	1.8
105.07011	22.4
107.04942	36.4
109.02869	7.7
109.06547	2.1
111.04411	2.3
115.05427	4.2
117.06994	2.6
119.04901	7.9
121.06504	7.8
122.03598	1.9
127.03905	23.3
129.06985	9.1
131.04907	81.3
133.02817	4.7
133.06473	52.2
135.08025	8.2
137.05949	100.0
138.09158	2.6
145.02806	2.2
145.04950	2.3
145.07532	2.1
146.07262	4.0
147.04367	8.5
149.05956	9.0
150.06744	1.8
151.03877	21.8
151.05005	2.0
151.07518	15.0
157.06477	7.0
161.05962	85.5
161.09598	33.0
162.06700	3.1
163.07516	73.9
165.06958	3.7
165.09096	42.7
167.07018	2.1
169.06439	2.3
174.06773	5.0
175.03848	2.5
175.07536	3.9
177.05455	8.8
177.09090	3.4
178.07793	1.7
179.06990	6.8
181.08603	3.1
183.10147	43.4
187.07599	2.3
189.09070	90.2
191.07040	8.8
193.06447	2.3
201.09224	1.5
207.06471	4.7
207.10123	61.8
210.06746	2.0
215.06960	2.1
221.05986	4.0
221.09575	3.5
223.07687	2.6
224.08379	3.0
225.09029	3.4
229.19012	1.8
231.10138	2.0
233.07945	9.2
242.12450	1.9
249.09155	1.9
253.08539	4.0
253.12163	3.6
255.10126	2.2
267.10239	4.7
281.11533	2.5
285.11264	10.3
287.12598	3.4
291.12225	38.0
294.12509	4.9
297.11038	6.4
309.13275	29.7
313.14270	17.2
315.12222	11.4
320.77078	1.7
325.14151	11.0
327.14380	9.9
331.15350	25.5
333.13281	19.3
339.12286	2.1
343.15381	4.3
351.14447	3.5
363.14304	2.1
439.17480	25.5
440.17252	3.4
451.17862	2.4
457.18677	3.4
469.18262	2.4
507.19510	2.1
508.19574	6.1
701.47809	2.3
702.30908	5.3
702.48755	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	702.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03938	1.9
53.04200	0.5
55.01868	0.7
58.06598	0.9
65.03938	0.6
67.05479	0.7
69.07300	2.9
69.07716	1.3
70.06586	1.1
71.04984	0.7
74.06109	0.6
75.04484	2.7
77.03939	1.9
79.05484	2.0
81.03419	0.7
81.07069	1.8
85.02882	1.7
91.05480	1.6
93.07024	1.0
94.06577	1.8
95.04955	8.6
95.08602	1.0
96.08151	1.4
97.06567	0.6
98.23515	1.2
100.16148	0.5
105.03375	65.2
105.04527	3.2
105.07028	1.5
106.03733	1.4
108.08130	1.4
109.06509	0.9
111.08092	2.6
114.85535	0.6
115.05421	0.6
117.07027	1.9
119.04942	0.9
121.06497	0.9
129.07024	1.6
131.08615	1.5
133.06519	1.0
134.09637	1.3
137.06013	1.5
138.09146	2.4
141.07019	1.7
141.09016	0.7
145.06477	0.7
146.06036	0.9
146.09637	0.9
147.04384	1.2
148.07652	1.8
159.08060	0.7
159.67020	0.5
160.07516	4.2
161.09583	0.7
164.10712	1.5
165.07072	0.8
167.08662	0.9
169.06554	1.0
170.09579	0.8
171.08038	0.7
172.11273	1.2
173.09669	0.6
173.42548	0.6
178.07785	0.7
179.08588	0.8
187.07628	0.9
188.07031	0.6
188.10699	1.0
190.07805	1.4
191.08626	1.1
195.08002	1.5
202.07703	1.2
202.12239	0.8
203.08594	0.8
204.13916	2.5
205.10159	1.5
215.08650	0.8
219.08051	1.0
221.09729	0.8
224.10753	0.7
233.09557	1.6
235.11253	0.7
250.12373	0.7
251.10690	1.5
261.09195	1.7
262.12210	0.7
279.10062	0.9
293.11844	0.8
304.13226	0.8
305.94870	0.6
326.17538	1.8
336.15952	1.0
340.19070	1.5
354.16946	8.7
358.20007	1.3
372.21695	0.7
390.22806	1.8
448.21460	0.8
462.22806	1.9
464.20770	0.9
476.20886	0.9
480.23862	1.9
496.23196	0.8
508.23114	1.7
512.26672	4.6
522.24902	1.7
540.26093	3.1
572.28473	19.3
573.28931	1.8
701.48877	1.6
702.31085	100.0
703.31287	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	702.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.05507	5.5
57.07063	2.6
67.05492	15.6
69.03426	4.2
69.07056	13.0
69.39043	7.3
71.04990	2.0
73.68346	1.9
77.03918	1.9
79.05482	11.2
79.66972	1.7
80.77474	1.9
81.07051	22.0
83.05021	2.0
83.05593	1.6
83.08603	2.9
85.02898	6.0
91.05457	10.1
92.11265	1.9
93.07025	15.7
94.06562	1.9
95.04959	17.8
95.08595	42.2
97.06514	2.6
97.10146	1.9
98.22726	2.4
99.04408	1.9
105.03382	100.0
105.04505	8.2
105.07017	18.5
106.03725	3.4
107.08587	17.8
109.06511	3.8
109.10146	35.1
110.06017	1.9
111.08067	2.4
117.07005	4.4
119.04128	1.5
119.05004	1.8
119.08562	26.9
121.06493	2.8
121.10123	13.1
123.08095	2.5
123.11689	4.9
125.09620	2.5
127.03864	2.5
128.06194	2.6
129.06992	4.7
131.08569	8.8
133.10098	14.6
135.08029	5.0
135.11684	8.9
137.06042	2.4
137.09596	3.6
137.13191	3.6
143.08559	7.9
145.10104	18.4
147.08041	2.2
147.11626	9.3
149.09674	3.3
149.13229	7.2
155.08524	2.7
157.10123	8.9
159.11685	12.9
160.07541	4.1
161.13235	6.1
163.11118	2.8
163.14771	2.3
165.09088	2.6
169.10162	3.1
171.11714	6.6
173.13275	8.8
175.14864	3.0
177.05408	2.0
181.10100	2.5
183.11717	5.8
185.13298	6.3
187.11182	2.4
187.14850	3.2
189.16342	3.3
193.10252	1.8
195.11617	3.4
197.13313	2.6
199.14793	4.0
201.16484	4.3
202.92459	1.8
209.09814	2.6
209.13245	2.1
211.14717	2.3
213.16287	2.2
215.17967	3.0
225.16312	3.8
227.17946	3.6
229.19501	3.1
237.16348	2.2
239.17897	1.9
241.19504	2.4
243.21124	3.8
255.21031	2.3
257.22617	2.8
263.16409	2.3
265.19623	2.0
302.85596	1.7
307.23715	2.0
317.21216	2.6
331.22794	2.9
345.24146	2.4
353.24472	2.5
363.30377	4.8
371.25815	5.5
373.28928	3.5
381.31479	3.7
391.29782	7.5
399.32489	4.1
409.31015	24.0
410.31049	2.8
427.32025	74.2
428.32162	5.3
445.32693	6.2
487.34219	3.3
505.35126	30.9
506.35519	2.4
572.27942	2.3
702.25555	35.6
702.49573	5.3
703.26355	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	702.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.4
53.01558	1.3
53.03941	3.5
55.01870	1.9
55.05501	5.5
57.07052	1.7
58.06602	2.2
59.63137	1.4
67.05497	9.2
69.03439	4.0
69.07066	7.8
69.74271	5.3
71.04974	1.9
77.03909	2.4
79.05476	7.7
81.03412	2.3
81.07051	14.8
83.05022	1.8
83.08589	2.2
85.02904	5.7
89.27779	1.4
91.05466	7.6
93.07017	9.8
94.06601	1.9
95.04961	21.0
95.08596	25.4
97.02872	2.8
97.06528	3.1
97.10177	1.6
98.23441	1.8
105.03381	100.0
105.04416	8.6
105.07014	12.2
106.03720	6.0
107.08567	12.4
109.06570	1.6
109.10148	21.1
111.08094	1.8
117.07005	4.5
119.08556	15.4
121.06496	2.0
121.10118	9.5
122.06013	2.0
123.08119	1.5
123.11712	3.4
127.03958	1.8
128.06203	1.8
129.07022	3.3
131.08574	6.8
133.10114	8.9
135.08038	5.2
135.11679	9.1
137.06000	1.5
137.09579	2.4
141.06990	2.4
142.07771	1.8
143.08528	5.3
145.10129	10.9
147.04399	1.7
147.08057	1.7
147.11705	5.5
148.07626	1.7
149.13226	4.0
151.14801	1.6
155.08575	2.3
157.10075	7.3
159.11671	8.2
160.07574	3.0
161.09625	2.7
161.13261	4.1
163.14815	2.0
169.10117	4.0
171.11687	5.4
173.13268	3.9
175.14795	3.2
177.05394	3.4
179.08470	1.7
181.10143	1.6
183.11674	3.9
185.13190	3.0
187.14836	3.4
189.16309	1.9
193.10126	2.9
195.07957	2.1
195.11627	3.1
199.14804	3.0
201.16394	2.8
205.10120	1.8
221.09650	2.3
241.19449	2.5
243.21178	2.1
257.22617	1.7
270.05597	1.6
310.14029	1.8
317.21069	1.5
349.24881	2.5
363.30408	2.5
381.31564	2.0
391.29819	4.1
399.32803	2.0
409.30884	16.2
427.32013	42.7
428.32416	3.6
445.32983	3.3
487.33972	2.5
490.22153	1.9
505.35199	25.6
640.68573	1.7
642.28528	3.1
702.27380	43.7
702.49921	3.7
703.26178	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	702.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22712	1.8
55.01853	7.3
55.05257	3.6
55.05504	50.7
57.03427	18.2
57.07059	3.8
61.02920	5.0
61.51065	2.1
65.03931	2.9
67.05493	63.9
68.05824	2.6
68.54039	1.9
69.03414	8.2
69.07050	16.2
79.05042	3.0
79.05485	47.0
81.07048	54.9
81.44628	2.1
82.07325	2.3
83.04964	4.3
83.08606	32.2
85.02888	5.5
89.06012	3.1
91.05459	17.0
93.07033	48.3
95.04959	8.9
95.08594	35.3
97.06521	3.4
97.10154	74.0
98.23420	6.2
105.07033	13.6
107.08576	41.0
109.10135	17.8
111.07964	3.5
117.06963	5.3
119.08544	8.5
121.10136	17.5
123.09254	2.3
123.11667	5.7
125.09611	66.3
131.08545	10.0
133.10097	9.2
135.08026	8.4
135.11665	9.9
137.13266	2.2
143.10645	3.1
145.10091	9.7
147.11621	4.7
149.13245	5.9
153.09081	5.9
157.10100	2.1
159.11641	6.4
161.13255	4.6
163.14830	2.2
171.10162	4.0
173.13185	5.8
175.14781	3.0
184.07283	3.1
187.14777	2.7
189.11203	47.5
211.13084	2.3
227.12740	81.6
227.20003	9.4
233.22737	2.2
243.21051	7.4
245.13803	95.6
261.22086	28.2
279.23071	2.8
307.22653	2.9
317.24777	7.5
332.18008	2.3
335.25757	100.0
336.26151	3.6
487.33945	6.1
505.35132	68.6
506.35178	4.0
702.47296	8.3
703.47205	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01863	7.9
55.05504	57.2
57.03432	14.7
57.07059	2.3
60.47797	1.8
61.02909	8.2
67.05494	64.0
68.05829	4.0
69.03432	9.5
69.07055	21.1
70.80264	1.8
79.05480	49.5
80.05789	2.3
81.03381	4.1
81.07046	59.2
83.04977	4.5
83.08608	29.9
85.02878	5.3
85.06532	3.4
89.06037	2.3
91.03928	4.0
91.05455	24.5
93.07032	44.6
93.98415	2.3
95.04958	6.8
95.08596	42.2
97.02868	2.2
97.06509	2.4
97.10155	71.0
101.80978	2.1
105.07018	13.2
107.08581	36.8
108.08913	2.9
109.06501	3.6
109.10145	20.2
111.08088	3.8
117.06997	7.8
119.08546	13.5
121.10125	21.5
123.11697	4.8
125.09614	61.7
129.06934	2.2
131.08546	7.3
133.10126	9.0
135.08026	7.9
135.11665	14.0
136.12036	2.4
137.13196	2.6
143.10661	2.8
145.10114	8.9
147.11697	7.9
149.13234	5.7
153.09087	2.3
159.11661	5.2
161.13240	2.5
171.10121	3.6
173.13239	4.3
175.14731	2.4
179.10587	2.2
182.40268	1.8
184.07283	2.5
187.14841	2.2
189.11189	48.0
203.17963	2.0
227.12741	80.4
243.21066	7.6
245.13805	100.0
261.22107	27.2
267.38525	2.3
271.15286	5.9
272.15637	3.1
295.22586	3.4
307.22543	6.4
308.23004	5.3
309.23593	2.2
317.24762	3.9
335.25751	66.1
336.26117	3.1
413.30435	2.8
431.31488	3.1
461.32367	4.2
487.34192	8.2
493.55444	2.0
505.35068	46.9
506.35532	2.5
575.37579	2.1
580.30988	2.5
702.46674	10.2
703.46960	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	703.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
57.03428	0.4
61.02924	0.6
67.05497	2.0
69.79860	0.4
70.98834	0.4
79.05500	1.4
81.03422	0.5
81.07050	1.7
83.04987	0.5
91.05491	0.6
93.07038	0.8
95.08610	0.9
107.08575	1.3
108.33391	0.4
109.10150	1.1
119.08582	0.6
121.10177	0.6
131.08618	0.4
133.10033	0.5
150.87280	0.4
173.60699	0.5
185.04298	0.8
203.05193	2.0
229.14328	0.9
237.13861	1.3
238.14645	0.6
259.07925	1.3
265.13385	0.5
267.34918	0.5
282.93011	0.4
341.11197	0.5
347.09500	1.0
365.10321	2.6
421.13058	1.0
477.24222	0.5
506.35443	0.6
508.48755	0.6
541.33411	17.8
542.34045	0.6
565.24829	0.6
605.96814	0.5
653.25903	7.2
654.25928	0.8
685.28729	1.1
703.38470	100.0
704.39032	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	704.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.6
51.02368	1.9
53.03947	2.5
55.01837	0.6
58.06598	0.6
65.03939	0.5
69.07027	0.5
69.10829	2.5
70.06597	0.5
74.06052	0.9
75.04452	0.7
77.03912	2.9
79.05478	1.0
79.24869	0.4
81.03407	0.6
81.05795	0.5
83.04961	0.6
85.02886	1.8
91.05466	1.7
94.06550	2.2
95.04955	14.6
96.08121	1.0
98.22679	0.8
103.05457	0.5
105.03379	82.5
105.04395	5.1
105.07024	1.5
106.03733	1.1
106.06586	0.5
107.04877	0.6
107.07327	0.7
108.08117	3.2
115.05453	0.9
117.06985	0.7
118.06612	0.7
119.04948	0.9
120.08105	0.8
121.02869	0.7
121.06527	1.0
124.07574	1.7
128.06212	1.2
128.83023	0.5
129.06973	2.7
131.04872	0.6
131.07326	0.8
131.08595	0.5
132.08049	1.3
133.06470	0.5
135.08087	0.7
136.07591	0.5
137.06006	0.8
138.09206	0.6
141.06981	1.1
144.08092	2.3
145.06447	1.1
145.08864	1.0
146.05981	0.6
146.09613	2.9
147.04384	1.0
148.07576	0.8
150.09096	0.5
153.06938	0.7
154.08618	1.0
155.08574	0.8
157.06512	1.0
158.09651	0.9
159.08075	0.8
160.07591	2.7
162.09093	0.9
165.07043	1.1
166.08714	1.0
167.08572	0.7
168.10201	0.6
169.08829	0.8
170.09633	1.0
171.08153	0.8
174.09091	0.6
177.05452	1.2
178.07788	1.5
179.08452	2.5
181.06451	0.9
181.10101	0.8
183.08115	0.7
188.10597	0.5
189.07243	0.6
190.07712	0.7
191.08594	1.5
192.09300	0.6
193.10152	1.5
195.08202	0.6
197.09679	0.6
202.07895	1.2
203.08432	2.1
205.10170	1.6
207.08073	2.9
207.11734	0.6
208.11244	0.6
209.09636	1.1
215.08638	0.8
218.07356	0.6
219.08028	1.2
220.09142	0.8
220.11281	0.6
221.09605	3.2
223.07553	0.9
223.11185	1.0
225.09221	0.9
231.08084	1.6
232.08978	0.6
232.11107	0.9
233.09584	2.1
235.07538	1.9
236.10649	0.9
237.09196	1.6
239.10603	1.0
247.07497	0.6
248.08260	0.6
248.10687	0.8
248.36844	0.5
249.09035	2.2
250.10460	0.6
250.12720	0.6
251.10748	0.6
253.08508	0.9
254.11983	0.5
263.10690	1.7
264.13876	0.7
266.11771	0.6
267.10263	1.3
269.01538	0.5
274.12335	0.7
278.11960	0.6
280.13403	0.8
281.11749	0.8
285.11420	0.5
292.13318	1.0
298.13986	0.4
324.16019	0.8
334.14163	0.5
352.15549	0.9
370.16544	1.3
384.18115	1.9
402.19156	1.4
474.18951	1.0
492.19949	0.9
506.21353	2.1
524.22876	1.7
566.23816	3.8
584.24908	1.7
626.25989	6.8
627.25879	0.7
644.26984	8.9
645.26892	0.9
704.28998	100.0
705.29401	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	704.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.7
50.80151	0.2
51.02359	0.9
52.79671	0.2
53.03939	1.4
55.01851	0.5
56.05029	1.3
56.53413	0.1
58.06591	11.2
59.04983	0.3
64.08546	0.2
65.03935	0.2
67.05485	0.3
69.03433	0.2
69.25719	0.4
69.26122	0.6
70.06573	0.3
71.04982	0.5
72.08154	0.4
75.04462	2.7
77.03918	2.8
79.05463	0.8
80.04991	0.4
81.03391	0.4
81.07047	0.7
84.08138	0.4
85.02886	0.7
86.06017	0.2
87.04475	0.4
88.07611	0.7
89.03968	0.2
91.05473	1.6
93.06992	0.2
94.06538	0.4
95.04955	11.9
96.08109	0.7
97.06502	0.5
98.05980	0.2
98.09667	0.3
98.22677	0.3
102.09158	0.6
103.05469	0.6
105.03378	75.0
105.04396	5.1
105.06997	2.0
106.03703	1.1
106.06561	0.3
107.04922	0.5
107.07308	0.3
108.08087	2.3
109.06506	0.7
110.06047	0.3
110.09686	0.3
111.04414	0.3
111.08081	1.2
111.95696	0.2
112.07594	0.5
115.05440	1.3
117.05786	0.3
117.07009	1.5
118.06532	0.5
119.04935	0.8
119.08554	0.3
120.08053	0.3
121.06538	0.9
121.08900	0.5
122.06022	0.4
122.09653	3.7
123.04432	0.4
124.07599	0.4
125.05923	0.2
128.06197	1.2
129.06973	2.5
130.06554	0.5
131.04959	0.3
131.07303	0.4
131.08574	0.6
132.08070	0.4
133.02824	0.4
133.06470	0.5
134.06004	0.3
134.09625	0.9
135.04369	0.3
135.08002	0.9
135.10361	0.2
137.05960	0.7
137.08275	0.3
138.09074	0.9
139.03865	0.2
139.07547	0.2
140.10687	0.3
141.06947	1.1
141.08992	0.2
143.04871	0.3
143.07382	0.2
143.08568	0.6
144.05687	0.5
144.06859	0.2
144.08093	0.5
145.06427	1.0
145.08910	0.4
146.03616	0.3
146.06006	0.6
146.09619	1.3
147.04388	0.9
147.08038	0.8
147.10344	0.3
148.07608	0.3
148.11201	0.3
149.05965	0.9
150.09103	0.6
151.07564	0.2
152.06166	0.2
152.10672	3.6
153.05486	0.4
153.06987	0.6
154.07697	0.2
154.12262	0.5
155.04881	0.2
155.06050	0.2
155.07355	0.2
155.08537	0.8
156.08047	0.5
157.06491	0.7
158.07323	0.3
158.09622	2.2
159.07986	1.5
159.10414	0.9
160.07550	0.5
160.11208	2.2
161.05957	0.6
162.09064	1.3
163.07590	0.2
164.10663	0.6
165.05582	0.4
165.06932	1.4
165.11476	0.2
166.07704	0.3
167.07269	0.3
167.08496	1.2
168.10213	0.2
169.06497	0.8
169.10143	0.3
170.09660	0.4
171.08063	0.7
172.11227	1.0
173.05992	0.2
174.09116	4.0
174.12756	0.5
175.07469	0.2
175.09807	0.3
177.05469	0.4
177.09102	0.5
178.07689	1.8
178.12308	0.3
179.08521	2.5
181.06459	0.8
181.10141	0.6
182.09621	0.3
182.11765	0.3
183.08061	0.5
183.10410	0.4
184.11195	1.3
185.05962	0.4
185.09650	0.3
185.11922	0.5
186.09120	0.4
186.12732	0.2
187.07529	0.3
187.09727	0.2
188.07037	0.6
188.10721	0.7
189.06931	0.3
190.07861	0.9
190.12224	1.2
191.08513	1.7
192.09364	0.8
192.13794	0.4
193.06467	0.3
193.10146	1.5
194.07242	0.4
194.11771	0.3
195.08054	1.1
195.10234	0.2
196.09056	0.2
196.11159	0.4
197.05927	0.2
197.09566	0.4
198.09131	0.4
199.07516	0.3
200.10748	0.8
201.07175	0.3
201.09062	0.2
202.07977	0.9
202.12172	0.9
203.08472	1.7
204.09363	0.6
205.06471	0.4
205.10103	2.1
206.07289	0.6
206.11572	0.2
207.08051	2.9
207.11731	0.5
208.08775	0.7
209.06070	0.2
209.09605	1.1
209.11754	0.2
211.07547	0.5
211.11212	0.3
212.10672	0.5
213.09195	0.3
214.12157	0.4
215.06783	0.3
215.08551	0.6
216.13896	0.3
217.10204	0.5
218.07288	0.8
218.11658	0.2
219.08051	1.2
220.08891	0.7
220.13205	0.3
221.06165	0.3
221.09628	2.6
222.10451	0.3
222.12758	0.3
223.07481	0.7
223.11168	0.5
224.08385	0.4
224.10617	0.3
225.09085	0.7
226.12251	0.4
228.10120	0.2
231.08075	1.5
231.10114	0.3
231.31636	0.2
232.08858	0.5
233.09753	1.3
234.06790	0.4
234.12816	0.3
234.14954	0.9
235.07507	2.0
235.11174	0.8
236.08356	0.4
236.10632	0.4
236.14386	0.3
237.09091	1.4
237.12680	0.2
238.06612	0.2
238.09897	0.4
238.12259	0.4
239.10666	0.8
242.11775	0.3
245.09610	0.3
246.12886	0.3
247.07449	0.5
247.11261	0.2
248.08337	0.7
248.10712	0.2
249.09084	2.5
249.11520	0.3
250.09789	0.5
250.12332	0.6
251.06981	0.2
251.10754	0.9
251.12970	0.3
252.07899	0.4
252.13850	0.5
253.08585	0.3
253.12273	0.6
256.13275	0.3
259.07605	0.3
260.14267	0.2
261.09030	0.7
261.11526	0.2
262.12286	0.7
263.10635	1.8
263.13062	0.3
264.11282	0.2
264.13815	1.0
265.08475	0.3
265.12234	0.3
266.11789	0.3
266.15280	0.3
267.10117	1.6
269.11673	0.3
270.15021	0.4
274.12128	0.2
275.13098	0.3
276.13840	0.5
277.08578	0.8
278.11957	0.4
278.15283	0.3
280.13419	0.5
281.11780	0.6
282.15100	0.2
284.12799	0.2
284.16345	0.2
288.13864	0.4
291.10147	0.5
292.13382	0.8
292.16580	0.2
294.14850	0.4
295.13184	0.3
296.16443	0.3
304.13364	0.5
306.14899	0.7
308.16428	0.3
309.11240	0.3
310.14465	0.3
312.15982	0.3
316.13297	0.3
320.12988	0.3
320.16531	0.5
322.14203	0.2
323.12610	0.3
324.16003	0.5
326.17456	0.3
334.14365	0.3
338.17401	1.1
348.15970	0.3
356.18671	0.6
366.16901	1.4
370.20102	2.7
398.19412	0.9
402.22690	0.9
414.16687	0.2
420.75806	0.2
426.18991	1.5
430.22171	1.4
456.17917	0.3
458.21591	0.2
460.21393	0.2
462.18958	0.3
462.25070	0.8
488.20514	0.6
492.23831	2.1
494.21744	0.4
502.22247	0.3
520.23230	2.1
524.26459	0.9
526.24268	0.3
552.25781	4.2
580.25452	0.4
584.28497	3.6
612.27783	3.7
613.28076	0.4
644.30505	12.2
645.30920	0.7
704.32617	100.0
705.32971	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	704.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
51.02363	0.9
53.03949	1.7
56.05034	1.1
58.06595	9.1
73.69913	0.5
75.04480	1.4
77.03925	2.3
79.05472	0.7
82.06563	0.5
84.43006	0.5
85.02361	0.6
85.02885	1.1
88.07634	0.8
91.05492	1.5
95.04955	9.4
98.22596	1.0
100.54755	0.6
103.05500	0.5
105.03378	57.7
105.04523	3.9
105.07018	1.8
108.08136	0.9
108.35674	0.5
109.06491	1.0
111.08076	0.8
115.05461	1.1
117.06986	1.0
119.04956	0.8
121.06478	0.5
121.08856	0.5
122.09674	2.2
123.04398	0.7
124.07606	0.8
128.06285	0.8
128.17285	0.7
129.07014	1.8
131.04951	0.9
134.09641	0.9
135.08057	0.8
137.05975	0.6
141.07016	1.1
143.08615	0.8
145.06499	0.9
145.08839	0.9
146.09668	1.1
147.04411	0.7
149.05928	0.8
152.10718	2.7
155.08618	0.8
158.09659	1.5
159.08032	1.0
160.11224	1.7
162.09184	1.2
165.07047	1.2
167.08636	0.8
171.10454	0.7
174.09164	2.7
178.07793	1.8
179.08546	2.5
179.51315	0.5
181.10168	1.0
184.11208	1.2
188.10736	0.7
188.14577	0.5
189.07140	0.6
190.07831	0.8
190.12303	1.0
191.08618	1.3
192.09457	0.6
193.06445	0.7
193.10127	1.3
195.08018	1.1
202.07780	0.9
202.12306	0.7
203.08661	1.8
205.10182	1.7
207.08093	2.2
208.08800	0.8
209.09653	1.1
218.07372	0.6
220.08794	1.1
221.09648	2.0
224.08205	0.6
231.08028	1.3
233.09586	0.8
235.07555	1.8
235.11223	0.9
239.10707	0.9
242.12155	0.6
247.07605	0.8
249.09131	1.9
250.12285	0.6
260.14038	0.6
262.12369	0.8
263.10754	1.6
264.13766	0.7
267.10065	1.5
276.14133	0.6
277.08691	0.6
292.13367	0.8
296.16565	0.9
304.13275	0.8
366.16803	0.7
370.20123	2.2
402.22733	1.1
426.19327	1.2
430.22366	0.6
492.23834	2.0
520.23401	2.2
524.27234	0.5
552.25818	3.6
584.28485	2.8
612.27844	2.8
644.30499	11.3
645.30780	0.6
704.32648	100.0
705.32794	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	705.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31877	0.3
51.76012	0.3
53.03938	0.3
55.05511	0.3
55.17006	0.2
58.45967	0.3
67.05477	0.5
68.45813	0.3
69.11061	0.8
69.11486	1.2
76.82870	0.3
79.05507	0.4
81.07056	0.6
91.05455	0.7
93.07024	0.4
95.04968	0.7
98.22707	0.7
105.03394	1.1
105.07053	0.4
107.08578	0.5
191.75731	0.3
199.66353	0.3
221.76828	0.3
250.08693	0.6
252.10289	0.7
262.08673	0.9
263.09348	1.5
264.10309	0.8
265.10880	2.2
266.08163	1.2
276.10202	0.7
277.11041	1.3
278.08148	1.7
278.11206	0.5
279.09003	0.9
279.12607	0.4
280.09656	3.1
281.10440	1.2
289.07501	0.3
290.07971	0.7
291.08850	2.4
292.06335	0.6
292.09586	5.8
292.12753	0.4
293.10385	3.2
294.11157	4.0
295.12045	1.2
296.12817	1.0
304.09613	0.7
305.10529	0.9
306.07684	1.3
306.11282	6.0
306.14548	0.5
307.08438	0.7
307.12042	3.0
308.09198	2.6
308.12830	2.6
309.09924	0.6
309.13318	0.6
310.14233	0.5
312.12332	0.4
320.09198	0.6
320.12808	1.0
321.09964	1.0
321.13455	0.7
322.10635	8.7
323.11389	2.1
324.12225	10.1
336.12286	4.0
336.15863	0.5
337.12973	2.2
338.13785	14.5
339.14554	8.9
351.14636	0.6
352.15356	10.5
353.16089	6.6
354.17273	0.6
366.16806	2.4
367.17285	2.1
368.14911	0.4
541.16376	0.4
543.19025	0.9
555.18799	0.4
559.18817	0.9
570.16071	0.4
571.18292	1.4
572.17963	0.5
574.20074	0.3
583.18774	0.4
584.17480	0.4
585.20026	1.0
586.18939	0.6
587.18481	1.1
599.19867	0.4
600.21014	0.3
601.20380	1.2
602.19977	0.8
613.19513	0.7
614.19427	0.5
615.20367	0.5
616.21332	0.4
617.22894	3.8
618.22711	0.5
629.22754	4.3
630.23114	0.7
631.23865	0.5
632.24683	2.0
633.24915	0.3
643.22943	0.5
644.24713	1.9
645.22229	5.6
646.26270	1.2
647.26483	0.4
658.24780	0.4
659.24609	0.9
660.24670	5.9
661.25500	0.6
674.26001	0.8
675.26831	20.4
676.27069	1.7
689.28815	0.4
690.29187	15.9
691.29468	1.5
705.31549	100.0
706.31842	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
54.12852	0.4
55.01879	0.8
55.05506	1.9
57.03434	2.2
57.07088	0.6
59.05002	0.5
61.02920	6.2
65.03936	0.4
67.05492	6.5
68.43236	0.3
69.03420	3.6
69.07068	1.3
71.04987	1.0
73.02899	3.9
79.05482	5.4
81.03397	2.3
81.07047	5.9
83.04990	1.3
83.08614	0.8
85.02895	5.5
91.03958	3.1
91.05461	3.5
93.07032	5.5
95.04965	1.3
95.08594	3.0
95.68360	0.4
97.02882	4.3
97.06512	0.4
97.10173	0.6
98.22601	0.9
99.04459	1.3
101.02377	1.3
102.45777	0.4
103.03942	0.4
105.07004	3.0
107.04984	0.4
107.08581	2.5
109.02905	0.8
109.06499	0.9
109.10130	2.6
110.26044	0.3
111.08057	0.5
117.07019	0.9
119.08589	1.4
121.10107	2.0
123.11721	0.5
125.09631	0.7
127.03876	1.9
131.08571	1.1
133.10101	2.7
135.08043	0.6
135.11685	1.2
136.78328	0.3
137.09633	0.4
145.04932	0.6
145.10109	1.1
147.11740	0.8
149.13257	0.4
151.11244	0.8
152.27255	0.4
159.11694	0.9
170.23572	0.4
183.65646	0.3
185.04205	0.6
187.14960	0.4
193.05016	0.5
201.07541	0.4
203.05193	0.5
207.06602	0.5
237.10985	1.8
243.08516	1.2
273.12003	0.4
275.19992	0.6
289.18268	0.5
307.22565	0.8
349.23672	0.7
455.18872	3.2
491.26062	7.4
492.26123	0.4
531.70538	0.5
543.36902	0.6
607.43896	0.7
647.71179	0.5
705.38043	100.0
706.38379	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	706.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
56.05019	0.8
58.06591	10.6
61.66311	0.4
65.03635	0.5
65.03931	5.1
67.05476	0.7
72.08125	0.4
75.04456	1.0
76.31095	0.4
79.05480	0.4
81.03396	0.4
83.50366	0.4
84.08104	0.6
85.02873	0.5
85.27110	0.3
88.07599	0.5
91.05457	1.0
93.03409	0.4
95.04968	0.6
96.08106	0.7
97.02856	0.6
97.06519	0.5
97.93809	0.4
98.23447	0.7
100.07571	0.4
102.20785	0.4
105.06996	1.3
107.04945	0.6
108.08103	1.7
109.02877	0.6
109.06499	0.4
109.07459	0.4
110.09639	0.7
111.04419	3.4
115.05392	0.4
117.05788	0.4
117.07006	1.0
118.06504	0.5
121.02849	100.0
121.03893	5.1
122.03178	1.2
122.09689	1.9
128.06226	0.6
129.06975	1.8
131.04903	0.6
133.06468	0.6
134.09641	0.6
135.08020	0.5
137.05975	0.8
138.09151	0.5
141.06947	1.2
145.06487	0.8
146.05984	0.4
146.09627	1.0
147.04341	0.5
150.09058	0.4
152.10657	1.4
153.06953	0.5
154.12166	0.5
157.06464	0.5
158.09659	1.3
159.07994	0.5
160.11182	1.4
161.05948	0.6
163.03830	0.4
163.07570	0.4
165.06865	0.8
167.08478	0.6
171.08107	0.4
172.11185	0.7
174.09082	1.9
175.07404	0.4
176.10783	0.4
177.05379	0.5
178.07770	1.6
178.12172	0.6
179.08536	1.6
181.06458	0.6
181.10176	0.6
183.08051	0.6
184.11157	0.9
188.07030	0.5
190.07762	0.7
190.12228	0.5
191.08467	0.9
192.09346	0.4
193.10100	1.9
195.08072	0.6
197.05823	0.4
197.09616	0.7
200.10733	0.7
202.07823	0.4
202.12283	0.5
203.08492	0.8
205.10109	1.1
206.07173	0.4
207.08028	1.7
209.09572	1.0
218.07281	0.4
218.11848	0.5
219.07996	0.9
220.08734	0.6
221.09618	1.5
223.07690	0.4
223.11153	0.4
225.08986	0.4
231.08099	0.9
233.09621	1.1
234.14832	0.5
235.07468	1.0
235.11099	0.5
236.12804	1.1
237.09102	1.0
249.09131	1.1
250.12250	0.7
252.13873	0.5
253.08611	0.6
261.09012	0.9
263.10568	0.6
264.13828	0.6
265.12183	0.5
267.10114	1.2
275.10715	0.6
279.10080	0.8
280.13300	0.5
283.09763	0.4
287.05405	2.2
324.15744	0.5
338.17404	0.6
356.18588	1.3
366.16617	0.7
370.20120	1.2
384.17935	0.8
388.21255	0.7
398.19543	1.0
416.20486	0.9
434.22131	0.5
448.23553	1.1
466.23987	0.6
499.73615	0.4
508.23642	1.6
526.24493	0.9
536.22784	1.8
566.37201	0.4
568.24994	2.8
586.26477	3.0
628.27692	2.7
629.27533	0.4
646.28467	10.0
647.28406	1.0
650.97314	0.5
706.30530	87.3
707.30756	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02362	0.8
53.03941	2.1
55.01859	0.4
58.06583	0.9
61.92328	0.2
62.01184	0.3
67.05480	0.7
69.03406	0.4
69.85249	1.1
70.06563	1.2
71.04972	0.9
74.06062	0.6
75.04472	2.3
76.66351	0.3
77.03923	2.3
79.05481	1.5
81.03397	0.6
81.07030	1.2
82.06573	0.7
85.02906	1.5
87.04461	0.3
88.07619	0.8
91.05451	2.3
91.12986	0.3
93.07014	0.5
94.04164	0.3
94.06570	1.8
95.04954	10.3
96.05254	0.3
96.08111	1.0
97.06489	0.4
98.06035	0.6
98.23456	0.3
100.07603	0.4
101.05994	0.3
105.03379	67.4
105.04388	3.3
105.07017	1.4
106.03703	0.8
107.04967	0.7
107.07333	0.8
108.08099	1.8
109.06489	1.5
111.08041	2.4
113.08306	0.4
115.05410	0.7
117.03314	0.3
117.05750	0.7
117.07006	2.3
118.06552	0.5
119.04931	0.8
119.08537	0.3
120.08096	1.1
121.06497	1.0
123.04433	0.4
124.07511	0.3
126.09113	0.4
128.06201	0.7
128.10718	0.4
129.07011	2.5
131.07402	0.4
131.08554	1.8
132.08067	1.3
133.02855	0.6
133.06499	0.5
133.08920	0.4
134.09654	0.5
135.04414	0.4
135.08031	0.7
137.05988	1.1
138.09132	2.6
141.06964	1.2
141.09048	0.7
142.07773	0.4
144.08057	0.5
145.02838	0.6
145.06447	0.6
146.03627	0.7
146.05959	0.8
146.09628	0.8
147.04382	1.5
147.08055	1.2
148.07524	1.1
150.09201	0.4
153.06952	0.9
155.08594	0.8
157.08818	0.9
158.09659	1.3
159.08047	0.6
160.07581	3.7
160.11194	0.8
161.02414	0.5
161.05952	0.7
161.09595	0.8
162.09149	0.4
163.03819	0.4
164.10693	0.9
165.05652	0.4
165.07005	1.3
166.07735	0.8
167.07149	0.4
167.08531	1.2
168.05649	0.3
169.06447	0.4
170.09621	0.7
171.07982	0.7
172.11169	1.5
174.05516	1.0
176.07088	0.7
176.10733	0.8
177.05414	1.9
178.07777	1.1
179.08554	1.7
181.10117	0.5
183.07973	0.5
184.11177	0.5
185.06030	0.4
185.09566	0.3
186.08963	0.3
188.07008	0.8
188.10649	1.3
190.07832	0.9
191.08577	1.2
192.09271	0.6
193.10155	1.0
195.08037	0.6
196.11223	0.6
197.09605	0.5
202.07756	0.8
202.12288	0.7
203.08513	1.3
204.09325	0.8
204.13820	2.8
205.10071	2.0
207.08084	0.8
207.11618	0.3
209.09596	0.9
211.07652	0.5
214.12245	0.4
215.08563	1.0
216.09251	0.3
217.10110	0.8
218.07231	0.6
219.08055	0.7
221.06248	0.3
221.09599	1.1
223.07445	0.4
223.11209	0.9
225.09071	0.3
231.08028	0.5
232.08900	0.5
233.09654	2.3
233.11749	0.5
234.12805	0.5
235.07506	0.7
235.11177	1.1
236.08325	0.4
237.09093	0.8
237.12880	0.5
245.09636	0.4
247.07507	0.4
247.11194	0.5
249.09213	0.5
250.12187	0.7
251.10648	0.9
261.09100	1.2
262.12335	0.6
263.10641	0.5
265.12210	0.7
275.10635	0.5
276.13898	0.9
279.10089	0.8
282.14862	0.5
290.11752	0.3
292.13321	0.4
293.11646	0.7
294.15079	0.6
298.18127	0.3
304.13281	0.8
308.16541	0.8
310.14423	0.6
312.74777	0.3
322.14474	0.3
325.14407	0.5
326.17529	1.6
336.15833	0.8
340.18958	1.5
342.16959	0.3
354.16940	13.4
355.17203	0.9
358.20166	1.2
362.23407	0.5
372.21924	0.4
386.19647	0.6
390.22812	2.3
448.21243	0.8
458.19769	0.5
462.22742	2.2
464.20901	1.1
476.20712	1.0
480.23758	2.6
490.21939	1.6
494.25482	0.4
496.23224	1.2
508.23215	2.7
512.26416	4.8
522.24854	3.5
540.25922	3.9
554.27014	0.8
572.28442	22.3
573.28619	1.0
656.27148	0.4
674.27991	0.3
706.30548	100.0
707.30988	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	706.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97287	0.7
51.02365	1.5
51.56362	0.7
53.03934	2.1
55.01857	0.9
56.72296	0.5
59.78860	0.6
61.21890	0.6
66.58634	0.6
69.03410	0.5
69.16322	3.0
69.16725	0.9
71.04969	0.8
75.04475	2.7
77.03922	2.3
79.05490	1.2
85.02875	0.8
88.07593	0.7
88.22114	0.7
91.05479	1.8
94.06554	2.2
95.04966	10.1
96.08115	1.8
105.03384	70.0
105.04527	3.9
105.06985	1.1
106.03732	1.0
108.08125	1.8
109.06512	1.7
111.08051	3.7
117.07024	2.3
119.04990	0.7
119.08553	0.7
120.08145	1.5
120.26231	0.6
121.06503	0.9
126.09203	0.7
129.07002	2.6
131.04955	0.6
131.08594	1.4
132.08078	1.0
134.09634	0.7
135.08104	0.8
135.21872	0.6
137.06006	1.2
138.09146	2.3
141.06973	1.4
141.09058	0.7
144.08104	0.8
145.06470	1.1
146.09647	1.4
147.04375	1.9
147.08052	1.3
148.07594	1.0
158.09604	1.6
160.07529	4.6
164.10744	0.9
165.07033	0.8
167.08565	1.4
169.06563	0.8
170.09677	1.4
171.08075	1.2
172.11247	0.8
174.05479	0.8
176.10754	1.0
177.05475	0.9
179.07050	0.7
179.08562	1.3
181.10188	1.0
188.10689	1.3
190.07709	0.7
190.12383	0.6
191.08607	1.2
193.10217	1.0
195.08086	1.2
197.09755	0.8
202.12187	0.9
203.08568	1.2
204.13892	2.4
205.10190	2.3
207.08235	0.7
207.11700	0.6
208.08904	0.7
209.09627	1.0
215.08591	0.8
217.10120	0.9
218.07408	0.8
227.10886	0.6
233.09633	1.6
250.12213	0.8
251.10735	0.7
261.09128	2.1
263.10669	1.1
279.10126	1.0
282.14905	0.8
292.13260	0.8
293.11560	0.8
325.14502	0.7
326.17520	1.6
336.15991	1.5
340.19037	1.2
354.16962	12.4
355.17343	0.8
358.20013	1.3
377.37054	0.7
390.22897	2.5
414.16855	0.6
430.20654	1.1
448.21259	1.0
457.21249	0.6
462.22833	1.9
476.20605	0.7
480.24023	2.0
490.22223	1.3
496.22931	1.1
508.23242	2.0
512.26404	5.1
522.25177	2.4
540.26062	3.5
572.28436	28.2
573.28754	1.5
589.30255	0.9
668.46832	0.7
706.30573	100.0
707.30884	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	706.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01869	0.8
56.05024	1.2
58.06585	7.2
67.05494	1.0
69.03400	0.9
69.07054	0.9
70.06580	30.5
71.04975	1.8
72.08121	0.8
75.04484	1.9
79.05485	1.6
81.03398	3.1
81.07043	1.3
83.08606	0.7
84.04539	0.8
85.02886	2.2
87.04494	0.7
88.07613	0.9
91.05487	3.6
93.07035	1.1
94.06577	0.7
95.04939	4.5
95.08649	0.8
96.08114	1.2
97.02904	1.0
97.06479	1.0
105.03372	22.6
105.04490	1.5
105.07014	3.9
107.04961	1.1
108.08114	2.9
109.02874	2.4
109.06525	1.3
109.08167	0.7
109.10097	0.7
111.08088	1.9
112.07582	24.8
115.05433	1.5
116.07047	1.3
117.06984	3.4
119.04935	1.1
119.08567	0.6
121.06492	2.0
122.09656	1.3
123.04398	1.5
124.07549	0.8
125.37920	0.6
127.03951	1.0
127.07552	1.5
128.06223	1.3
129.06934	3.1
131.04883	1.4
131.08606	0.9
133.06441	0.8
134.09618	0.8
137.02322	39.5
137.03427	3.6
137.05957	2.8
138.09108	1.0
140.07033	13.0
141.07019	0.9
143.08580	1.0
144.05701	0.9
145.02846	2.2
145.06448	0.9
146.09634	1.5
147.04399	1.7
147.10555	0.7
149.06001	1.5
151.07588	0.8
152.10744	1.7
153.07024	0.8
155.08595	0.7
158.08142	2.2
158.09653	1.8
159.08081	1.4
159.10483	0.7
160.07561	1.3
160.11234	1.9
162.09113	0.9
163.07558	1.2
165.06956	1.5
167.07037	1.5
167.08482	0.8
169.06573	0.7
169.67111	0.6
171.08084	0.8
172.11244	1.0
174.08995	0.7
175.03964	1.7
175.14650	0.6
177.05453	3.9
178.07785	1.1
179.08562	1.3
181.04950	1.2
181.10106	0.9
182.09677	0.8
183.01044	1.1
184.11255	1.0
188.10715	0.9
189.07037	0.8
190.12383	0.7
191.08598	2.5
193.10005	1.2
195.08142	0.8
200.10689	1.4
203.08537	1.3
204.13799	1.2
205.10112	2.0
207.06438	5.1
207.08189	0.8
207.11742	0.7
209.09627	1.6
215.08623	1.3
217.10129	0.8
218.07359	0.7
218.11833	1.3
219.08107	1.4
221.09651	1.8
223.11263	1.2
230.10419	0.8
233.09598	2.3
234.10110	0.7
235.11293	1.5
237.09145	1.5
238.12027	1.1
248.14392	0.8
251.10699	1.8
263.10651	1.2
264.13809	1.2
265.12308	1.1
266.15469	0.8
276.13882	1.1
279.10294	0.8
280.13251	0.8
284.11319	3.0
290.15488	0.7
292.13107	0.9
314.17010	0.8
326.17535	1.3
336.16089	0.8
340.19138	0.9
354.16776	4.0
368.18790	0.8
382.19907	0.8
387.14224	1.3
387.95407	0.8
400.21075	0.9
480.24301	0.8
512.26105	1.8
522.25146	1.2
536.22644	1.2
540.25891	0.9
568.25287	4.9
572.28265	7.6
586.26459	3.8
628.27600	2.8
646.28436	10.8
647.28778	0.8
705.50372	4.6
706.30524	100.0
707.30383	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	706.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.6
51.02368	0.7
53.03943	1.4
55.01865	0.6
55.05508	0.4
56.05017	0.4
57.03421	0.2
57.07067	15.0
58.06583	0.6
58.07402	0.2
65.03926	0.2
67.05493	0.9
68.98867	0.2
69.03407	0.3
69.10122	0.8
70.06574	0.4
72.04514	0.4
74.06075	1.0
77.03911	1.2
79.05474	2.0
80.61882	0.2
81.03410	0.9
81.07043	1.1
82.06580	0.4
83.04964	0.5
83.08603	0.7
84.04495	0.3
84.44550	0.2
85.02879	0.2
85.06534	0.5
86.06030	0.2
88.69131	0.2
91.05466	2.8
93.07021	1.3
94.06552	0.8
95.04955	9.7
95.08598	0.5
96.08125	0.4
97.06512	0.2
97.10153	0.3
98.06036	0.4
105.03378	51.2
105.04398	3.6
105.07004	2.8
106.03697	0.5
107.04943	0.6
107.08569	0.6
108.08082	0.8
109.06502	0.4
109.10148	0.4
110.06037	1.4
112.07578	0.4
115.05453	0.4
116.07090	0.3
117.06993	0.7
118.06564	0.2
119.04954	0.5
119.08580	0.8
120.08076	0.3
121.06476	0.6
122.06034	0.3
123.08070	0.3
124.07554	1.0
128.06232	0.4
129.07005	1.4
131.07382	0.2
131.08551	1.1
132.08095	0.6
133.06487	0.3
133.10089	0.5
134.09659	0.7
135.08075	0.2
136.07539	1.0
140.79549	0.2
141.06966	0.5
142.07745	0.3
142.67493	0.2
143.08554	1.5
144.08006	0.5
145.06500	1.0
145.08858	0.4
145.10066	0.3
146.09619	1.1
147.08038	0.9
147.10413	0.3
147.11581	0.2
148.07530	0.6
148.11255	0.2
150.09102	0.4
153.06976	0.4
154.07658	0.2
155.08519	2.2
157.06572	0.3
157.08868	1.8
157.10129	0.5
158.09622	4.6
159.08064	0.6
159.10376	0.3
160.07550	0.7
160.11263	0.4
162.09172	1.0
163.11174	0.5
164.10725	0.2
165.06958	0.6
166.07738	0.4
167.08502	1.0
169.06430	0.3
169.10118	0.7
171.07970	0.9
172.11240	0.3
173.08348	0.2
174.09111	2.1
176.10713	0.4
178.07588	0.9
179.08545	1.9
180.09351	0.7
181.08806	0.3
181.10126	1.4
182.09590	0.4
183.07948	0.2
184.11185	0.4
185.09573	0.3
186.09105	0.3
188.10686	0.8
190.12152	0.2
191.08572	0.7
192.09274	2.2
193.10106	2.7
194.10962	0.5
195.08081	0.5
195.10181	0.3
195.11711	0.7
196.11205	0.5
197.09692	0.5
198.12708	0.4
200.10709	0.6
202.07800	0.4
203.08502	1.1
204.09230	1.2
205.10078	1.5
206.10858	1.0
207.08569	0.2
207.11699	3.5
208.09050	0.3
208.11240	1.0
209.09688	0.9
209.11575	0.3
209.13287	0.8
210.12756	0.3
211.11285	0.3
212.10742	0.6
215.08607	0.5
216.09538	0.7
217.10100	1.2
218.10841	2.3
219.08234	0.4
219.11717	2.9
221.09633	0.4
221.13281	1.9
222.12828	0.7
223.11133	0.7
223.14854	0.3
224.10692	0.5
226.12196	0.3
227.12833	0.3
228.09395	0.7
229.10104	0.4
229.14302	0.3
230.10971	0.6
231.08099	0.4
231.11624	1.2
232.08908	0.4
232.11061	0.3
233.09784	0.3
233.13260	3.7
234.12807	0.7
235.11151	1.1
235.14778	0.7
236.14453	0.3
237.12753	0.5
238.12218	0.5
239.14450	0.3
243.11690	1.5
244.11240	0.4
245.09627	0.4
245.13263	0.6
246.10425	0.5
246.12857	0.6
247.11160	0.4
247.13362	0.2
248.14392	0.7
249.12761	2.2
250.12262	0.4
251.14369	0.5
252.13837	0.4
258.12735	0.6
259.11108	0.3
259.13440	0.9
260.14343	0.5
260.95609	0.2
261.12781	1.3
261.15170	0.3
262.12393	0.3
262.15921	0.7
263.14310	0.5
264.17496	1.1
267.15988	0.8
272.14340	0.5
274.15823	4.2
275.16367	0.2
276.13831	0.7
278.15469	0.4
279.13724	0.5
280.13385	0.2
280.16977	0.4
282.18564	0.5
283.15237	1.4
287.13190	0.3
289.12207	0.3
290.15445	1.2
291.16202	0.4
292.16922	5.1
294.18588	0.4
302.15524	1.1
308.16391	1.0
310.17987	1.9
320.16360	3.9
334.18079	1.3
338.17395	3.4
350.17447	0.3
352.18948	1.7
356.18579	0.5
362.17511	0.6
368.18585	0.5
380.18460	2.8
381.19226	0.3
394.20013	1.0
398.19586	3.1
419.69989	0.2
422.19876	0.3
440.20566	2.7
456.21295	0.8
458.21735	0.7
459.27020	1.3
474.23148	0.2
482.21582	0.3
491.26178	0.4
500.22760	1.4
502.22015	1.2
516.23981	0.4
527.28778	0.3
544.22870	0.6
562.23975	1.6
584.28320	1.1
604.25214	2.1
622.26373	7.7
623.27155	0.6
646.29889	1.4
706.32050	100.0
707.32330	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	706.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97619	1.4
53.03932	4.3
55.01867	20.3
55.05253	2.5
55.05507	31.9
57.03432	23.8
57.07072	2.9
58.06587	2.2
59.04988	3.3
61.02914	7.0
65.03919	2.9
65.19571	1.2
67.05155	2.4
67.05498	36.3
69.03410	5.2
69.07053	10.6
69.49307	5.2
71.04974	5.7
73.02903	5.1
79.05492	36.9
81.03407	25.2
81.07047	29.0
81.07500	2.7
82.04179	3.8
83.01330	8.0
83.04971	21.5
83.08610	18.9
84.02119	2.1
84.05767	1.3
85.02906	12.0
85.06533	3.0
91.03913	2.3
91.05468	24.6
93.07033	36.3
94.04230	1.2
95.04961	20.5
95.08595	11.5
96.05743	1.5
97.02892	12.4
97.06512	8.8
97.10152	12.5
98.07283	6.7
98.22632	1.5
99.04440	2.0
103.54283	1.3
105.03378	5.3
105.04472	1.6
105.07011	18.6
107.04942	14.9
107.08583	20.8
109.02876	3.0
109.06496	10.1
109.10174	8.5
111.04449	4.5
111.08059	4.9
116.04701	13.3
117.06987	8.8
119.08582	13.5
121.06483	5.5
121.10126	8.6
123.08066	11.2
125.05968	3.4
125.09639	13.9
129.05467	27.6
129.06981	5.6
130.07735	2.4
131.08553	7.3
133.10117	4.7
135.08025	4.1
135.11668	17.5
137.09633	3.1
143.06987	5.3
143.08615	1.6
145.10123	17.7
147.08032	4.3
147.11661	4.3
151.11171	1.6
153.09061	2.1
153.12791	6.7
155.08565	3.0
157.08586	15.0
157.10075	4.2
158.05669	1.8
161.09650	1.5
163.11168	31.7
171.06528	1.8
171.10150	3.5
173.09592	4.4
173.11777	3.2
175.11122	2.4
181.12241	7.2
189.11200	5.9
191.10611	5.4
193.12163	3.5
199.13229	6.9
201.14821	2.5
209.11732	10.9
210.12471	2.2
227.12741	17.1
227.15897	1.4
229.14339	2.8
255.15886	1.8
267.15936	8.3
283.15369	100.0
284.15796	3.9
301.16418	79.0
302.16705	3.5
337.16452	3.5
425.25546	1.5
437.25250	7.3
457.25671	1.8
475.27029	7.8
491.25766	6.4
492.27127	7.9
493.27930	1.8
509.27417	88.1
510.27390	4.7
706.29980	4.0
707.29028	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	706.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.9
55.01863	16.6
55.05508	40.2
57.03417	9.2
57.07073	4.5
65.03925	5.9
67.05493	50.6
69.03410	6.6
69.07062	23.8
71.04981	7.2
71.06226	2.4
71.43616	2.7
79.05481	74.3
80.05846	3.7
81.03400	12.6
81.07043	100.0
82.07401	2.7
83.04972	14.5
83.08609	18.1
85.02896	3.5
85.06504	3.3
91.05469	50.2
93.07029	48.6
94.07384	2.9
95.04955	31.5
95.08585	24.7
97.02884	5.2
97.06525	6.3
97.10138	21.1
103.05427	2.8
105.04494	4.5
105.07014	36.9
107.04945	28.5
107.08595	35.3
108.08891	3.1
109.02859	11.6
109.06493	34.1
109.10140	12.2
109.76596	2.3
111.04422	14.0
111.08102	7.3
113.05991	5.8
115.05406	5.7
117.07000	21.4
119.04916	3.5
119.08565	38.3
121.06472	16.0
121.10125	10.7
121.53442	2.8
123.04402	5.4
123.08056	18.4
125.09619	19.6
128.06206	2.7
129.06990	7.3
131.08560	20.7
133.06502	8.5
133.10152	17.0
135.08032	28.4
135.11676	6.7
136.08401	3.1
137.05992	3.2
137.09596	10.6
141.06938	2.6
143.08534	7.7
144.08887	2.9
145.06482	8.7
145.10095	21.5
147.08034	9.2
147.11696	5.3
149.09616	8.4
151.11171	4.9
153.09096	6.2
153.12750	5.8
155.08575	4.1
157.06442	2.8
157.10085	6.4
159.08011	9.2
159.11685	5.5
161.09630	15.5
163.07495	12.8
163.11133	11.7
165.09062	5.4
169.09998	3.7
171.07993	3.0
171.11552	3.0
173.09558	9.2
175.11185	4.9
177.12839	2.3
179.10603	7.8
181.12230	4.5
189.09445	4.1
189.11191	15.0
189.12685	3.3
191.10666	6.8
193.12195	8.5
223.13301	5.6
227.12665	17.2
243.17413	7.2
245.18893	4.4
256.26434	2.8
261.18466	7.9
271.16949	14.2
273.18466	27.8
283.15479	2.7
289.17950	42.1
290.18240	8.0
291.19504	47.1
304.47153	2.6
347.22144	11.2
363.21573	47.0
364.22079	4.6
365.23123	19.6
383.24252	8.5
472.35794	2.8
534.99536	2.5
635.38983	5.3
653.40302	31.2
671.41656	12.5
706.38306	29.1
707.38873	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	707.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86268	0.2
69.03420	15.7
72.48960	0.3
85.02930	0.3
97.02879	100.0
98.03238	1.3
98.23528	0.6
100.60690	0.3
101.55253	0.3
109.02820	0.4
110.11580	0.3
115.03931	0.5
121.02861	0.6
139.03879	26.3
140.04192	0.7
157.03622	0.7
157.04939	14.0
199.05995	3.0
200.45856	0.3
235.84995	0.3
259.08203	0.6
287.05453	4.3
306.46146	0.3
317.46915	0.3
324.60223	0.3
365.06668	0.8
599.30420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	10.6
69.17465	0.8
73.02908	0.2
81.03391	0.2
81.07086	0.1
85.02902	0.7
87.00551	0.1
91.05490	0.1
93.07044	0.2
97.02878	100.0
98.03233	1.1
100.24272	0.2
105.03402	0.2
115.03899	1.0
117.06946	0.1
121.02901	0.2
127.03929	0.2
135.14459	0.1
139.03877	33.6
140.04205	0.5
157.04944	12.1
177.67256	0.1
199.05995	2.2
217.07115	0.1
256.64847	0.1
259.08112	1.8
287.05450	2.0
315.95789	0.2
365.06412	0.6
383.07178	0.2
485.10620	0.2
545.13599	0.1
580.53247	0.2
707.29523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.2
68.03304	0.2
69.03416	14.4
69.71243	0.6
72.71964	0.2
85.02931	0.3
93.16389	0.2
95.04955	0.5
97.02876	100.0
98.03200	1.3
105.03364	1.3
106.03697	0.4
115.03873	0.2
121.02870	0.3
137.06944	0.2
139.03876	30.4
140.04239	0.3
153.01712	0.3
157.04939	14.7
199.05986	3.8
199.07834	0.2
213.05450	0.2
259.08124	0.8
287.05432	6.2
299.05475	0.3
327.57324	0.2
337.06970	0.3
365.06274	0.3
545.12878	0.3
615.28162	0.2
655.23712	0.2
706.33459	1.3
707.33160	1.5
711.24243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.181
Annotation	Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
51.02369	0.3
53.03939	2.1
55.01861	0.3
57.03428	0.4
58.06588	0.7
61.02907	0.4
63.96735	0.2
65.03931	0.4
67.01861	1.5
68.99789	0.4
69.03420	10.1
71.01353	0.3
71.04982	1.2
72.78136	0.1
73.02901	0.4
81.03407	17.5
82.03724	0.3
83.01330	0.3
85.02890	6.9
85.03407	0.3
87.04443	0.3
87.66383	0.2
91.05432	0.2
97.02878	11.2
99.04440	3.0
103.03928	0.4
105.03322	0.2
107.04913	0.2
108.12510	0.2
109.02865	30.0
110.03189	0.4
111.00791	0.5
111.04424	0.3
115.03942	1.3
117.07030	0.2
119.42778	0.2
121.02850	7.4
121.03799	0.3
122.03182	1.2
127.03899	15.6
128.04250	0.2
129.06868	0.1
133.02838	0.5
135.04443	0.2
136.08900	0.2
137.02324	0.5
139.03883	1.5
145.04916	0.5
147.04385	0.4
152.10669	0.2
153.01805	2.5
157.04962	2.2
157.06232	0.3
165.01822	1.4
166.65851	0.2
169.04938	2.9
169.06267	0.3
171.04361	0.2
175.05980	0.6
179.08177	0.2
183.02943	0.9
185.05925	0.4
187.05992	11.9
196.68556	0.2
197.06017	0.2
213.05469	1.1
229.07004	0.6
231.06477	0.6
241.04950	0.7
247.08014	0.8
258.05170	0.7
259.05911	0.3
270.04755	0.2
286.04590	0.4
287.05450	100.0
288.05774	4.4
299.05426	0.2
329.06360	0.6
333.14310	0.5
365.62814	0.2
382.36322	0.2
395.07605	0.3
461.10718	9.1
462.10815	0.5
629.27850	0.2
646.27484	0.2
647.28503	0.4
706.30347	1.2
707.30859	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	707.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25155	0.4
51.89314	0.4
53.03936	4.6
56.22489	0.4
57.03426	0.6
57.81435	0.4
61.02916	0.8
69.03413	2.0
69.07069	1.1
69.39526	0.8
69.39928	1.3
70.06567	1.0
71.04984	3.2
73.02914	0.5
73.50481	0.5
81.03406	30.9
82.43546	0.4
85.02394	0.8
85.02893	14.0
88.57922	0.5
97.02876	13.4
99.04444	9.2
103.03932	1.7
105.03385	0.6
105.07026	0.4
109.02862	91.9
110.03217	0.9
112.07599	1.5
115.03914	1.4
116.28599	0.5
119.08561	0.4
121.02843	0.5
127.03895	100.0
128.04211	1.5
137.02278	0.7
139.03886	4.5
140.07045	1.4
145.04984	0.8
150.73048	0.4
168.06526	1.2
169.04936	24.2
170.05255	0.5
175.14793	0.6
177.05470	0.6
187.05984	5.2
200.30293	0.4
211.06050	0.9
219.10158	0.6
229.07039	18.0
247.07990	1.3
257.04364	1.0
287.05447	6.9
289.09128	7.0
557.12671	4.5
608.74707	0.4
707.39117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03938	5.0
57.03434	0.3
67.01859	1.2
68.99797	0.3
69.03420	8.0
69.12369	1.8
71.04974	0.6
73.20307	0.2
80.82841	0.2
81.03407	35.4
82.03761	0.3
83.01355	0.2
83.77300	0.2
85.02892	1.3
95.04935	0.5
97.02878	17.8
98.22682	0.5
99.04450	1.9
103.03921	0.3
105.03387	0.8
106.03728	0.3
109.02863	100.0
110.03204	1.5
111.00781	0.4
111.04440	0.3
121.02831	2.0
127.03897	15.8
129.56534	0.2
133.02844	0.4
137.02325	0.5
139.03877	4.9
147.04376	0.5
153.01811	2.3
157.04906	0.4
157.06403	0.3
165.01828	1.1
169.04938	12.2
183.02904	1.0
187.05962	1.5
213.05357	1.3
229.07051	6.8
231.06508	0.5
241.04895	0.8
258.05209	0.9
259.05713	0.3
287.05453	97.6
288.05786	2.8
289.09247	0.6
299.05429	0.5
377.06775	0.4
395.07501	0.9
419.09631	9.3
420.09888	0.5
437.08771	1.5
707.29529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37399	0.4
55.01817	0.6
55.05452	2.2
57.03410	0.5
61.02869	0.6
67.05494	3.2
69.03376	0.6
69.07001	1.5
69.51128	1.8
79.05479	3.3
81.07041	5.6
83.04910	1.5
83.08571	0.8
85.02876	0.6
91.05452	2.2
93.07029	2.6
95.04906	1.7
95.08540	1.9
97.02847	0.5
97.10122	0.9
98.22762	0.8
105.06945	1.9
107.04900	0.6
107.08521	1.8
109.06437	1.1
109.10145	1.0
111.04357	0.7
111.08060	0.4
117.06937	1.3
119.08511	1.6
121.06440	0.7
121.10051	1.4
123.07975	1.6
125.09573	1.0
131.08464	1.1
133.10063	1.0
135.07996	1.0
135.11565	0.7
143.08443	0.5
145.10014	0.7
147.07964	1.0
157.10040	0.6
159.11678	0.5
161.09543	0.9
163.11227	0.8
175.11127	0.5
177.12643	0.4
181.12215	0.7
189.11246	0.5
220.08943	0.4
227.12671	1.1
233.08626	0.5
234.08997	0.6
235.07399	0.6
235.09735	0.6
236.10640	0.9
237.09013	0.8
237.11276	0.5
247.07487	1.1
249.07713	0.9
249.11464	0.5
250.08569	1.6
251.09291	1.9
252.10104	1.6
262.08630	0.8
263.09610	0.5
264.10233	2.5
265.08643	0.6
265.10928	1.0
266.09293	0.7
266.11697	2.7
267.09280	0.6
269.24564	0.4
273.18448	1.5
276.09988	0.6
277.07687	0.8
277.11090	0.9
278.08057	3.2
278.11710	2.4
279.09006	2.2
279.12482	6.3
280.06503	1.0
280.09650	19.8
280.74979	0.4
281.11554	3.6
289.17929	0.5
291.08774	0.6
291.19513	3.6
292.09665	4.6
293.10422	2.0
294.07639	2.4
294.11249	8.7
295.08359	2.7
295.11957	7.4
296.09064	1.6
296.12216	0.4
304.09766	0.7
305.10574	0.8
306.07611	1.8
306.11172	1.7
307.08389	1.5
307.11926	11.7
308.09109	19.1
309.06329	0.7
309.09720	1.4
309.13492	5.4
310.07144	0.6
310.10654	8.4
310.14304	4.1
311.11096	0.8
322.07349	0.9
322.10681	15.7
323.07819	1.4
323.11423	10.0
323.15298	0.8
324.08597	11.2
324.12250	3.7
325.09082	1.0
325.12827	0.6
328.06161	0.4
336.12277	0.8
337.12964	3.4
338.10107	11.2
338.13785	72.7
339.10855	5.9
339.14432	3.7
340.11679	1.7
352.11737	2.4
352.15512	0.6
353.16162	100.0
354.13242	41.4
355.13852	2.0
365.23264	1.5
368.14874	33.3
369.15283	3.7
393.08987	0.4
399.19183	1.0
491.26517	0.4
604.19666	0.7
619.21637	0.5
628.22095	0.5
646.22803	2.0
662.22504	0.5
677.24713	4.3
689.38318	0.6
692.27118	17.8
693.27466	0.7
707.29376	76.7
707.39294	5.3
708.29730	5.8
708.40558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16540	0.8
54.22553	0.7
55.01857	0.9
55.03559	0.8
55.05501	3.2
56.51526	0.8
58.57940	0.7
62.77684	0.8
67.05492	4.6
69.07059	2.4
74.93588	0.8
76.56696	0.9
79.05491	4.9
81.03389	1.4
81.07043	9.5
87.04464	1.4
91.05470	5.1
93.07018	4.0
94.01379	0.8
95.04966	2.7
95.08591	1.7
97.10139	1.3
102.52564	0.8
105.07030	3.3
106.80143	0.9
107.04963	0.8
107.08585	3.0
109.06509	2.7
109.10159	1.8
111.04400	0.9
117.06989	1.9
119.08572	1.9
121.10094	1.0
133.10118	1.9
135.08044	1.4
135.11694	0.9
141.58240	0.8
143.08490	0.8
149.09683	1.1
151.11118	1.1
174.46739	0.8
184.07349	1.8
193.12236	1.2
227.12579	1.0
253.14467	1.3
254.14784	1.0
273.18573	2.1
289.18085	1.9
291.19501	3.9
293.21173	2.5
312.28802	1.0
363.21811	1.1
381.22781	1.1
444.37903	0.9
548.96063	0.9
567.28516	0.8
609.44861	0.9
635.73560	1.0
663.91919	0.9
707.37512	100.0
708.37689	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	707.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05495	3.2
67.05499	6.1
69.07053	1.2
73.02940	1.2
79.05475	2.7
81.07056	6.1
83.04991	1.1
83.08621	1.2
86.27209	1.0
87.04479	2.7
91.05470	4.2
93.07037	2.0
95.04949	1.8
95.08604	2.5
97.10199	1.3
105.07022	3.4
107.08612	1.2
109.06469	1.0
109.10184	1.4
117.07012	1.4
119.08594	2.6
131.08577	2.0
133.10144	1.3
138.54790	1.1
147.11693	1.4
176.44191	1.1
179.14291	1.2
184.07289	2.1
193.12378	1.9
273.18613	1.4
275.20026	1.2
375.44141	1.2
609.44995	1.7
707.37500	100.0
708.37903	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	707.397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
55.05500	2.2
57.03422	1.9
61.02917	4.6
63.81223	0.8
67.05495	8.7
69.03429	3.2
69.07057	1.9
71.01353	0.8
71.04997	1.6
72.61333	0.6
73.02905	3.4
79.05476	4.8
81.03415	1.8
81.07060	4.5
83.04969	0.8
83.08607	1.0
85.02895	3.9
91.03962	3.2
91.05463	4.5
93.07030	3.8
95.05000	2.1
95.08613	2.9
97.02888	5.4
97.06535	0.9
99.04425	0.7
101.02364	1.2
105.07042	2.6
107.08606	2.4
109.02888	0.7
109.10152	6.8
117.07002	1.4
119.08605	2.9
120.17785	0.7
121.10155	1.2
127.03922	1.7
129.07021	0.8
131.08565	1.8
133.10143	2.0
135.08083	1.0
135.11707	1.0
145.10129	0.9
147.11659	1.2
149.02394	0.7
149.09645	1.2
157.10046	1.0
173.11723	1.4
185.04211	0.9
194.49615	0.7
195.10016	0.7
229.14401	0.8
243.08424	1.6
247.94696	0.7
273.18405	0.9
278.65686	0.7
291.19568	1.0
301.08902	1.6
330.22708	0.7
413.17822	8.3
485.19910	1.5
535.28870	6.3
707.39642	100.0
708.40155	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	708.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01860	1.2
58.06598	0.9
59.74695	0.3
60.93533	0.4
65.03933	0.4
66.34438	0.3
67.05481	0.4
69.62943	0.8
70.06593	0.8
71.05025	0.5
74.06068	0.6
75.04468	1.5
79.05468	0.6
81.03401	4.1
82.06568	0.7
84.04496	0.5
85.02906	0.5
86.82146	0.4
87.04423	0.4
91.05483	1.4
94.06578	1.9
96.08120	0.5
98.09670	0.3
98.23441	0.4
103.05472	0.5
103.18047	0.3
105.07024	1.0
107.01311	0.8
107.04904	0.6
107.07290	0.5
108.08106	3.3
109.02885	1.1
109.06486	0.7
110.06002	0.4
112.07584	0.5
115.05441	0.9
116.92333	0.4
117.07021	1.3
120.08070	0.6
121.06529	0.6
123.04421	0.6
124.07567	0.6
127.03905	2.3
128.06180	0.7
129.06979	1.8
131.04961	0.4
131.07269	0.9
132.08040	0.7
133.02829	0.5
133.06476	0.5
134.09612	0.5
135.04428	0.4
135.08009	0.7
137.02333	98.1
137.03430	8.5
138.02667	1.3
138.09109	1.4
139.03914	0.5
140.10680	0.6
141.07040	0.7
144.05713	0.4
144.08080	1.3
145.06482	1.1
145.08875	0.8
146.09639	1.3
147.04428	0.9
148.07594	0.6
149.05945	0.7
150.09131	0.6
151.09886	0.4
153.06950	0.7
155.08553	0.6
157.06566	0.5
158.09682	1.0
159.08028	0.9
160.07596	2.8
160.11208	0.5
161.05972	0.9
162.09161	0.6
164.10768	0.8
165.07033	0.8
167.08554	0.6
169.06532	0.4
169.08864	0.6
170.09666	1.4
171.08093	0.4
174.05481	0.5
176.10716	0.6
178.07806	1.0
179.08542	2.2
181.06505	0.6
181.10170	0.6
182.09659	0.6
183.08005	1.1
185.06039	0.7
186.09177	0.6
188.07062	0.6
188.10725	0.5
189.06943	0.4
190.07697	0.5
191.08578	1.5
192.09320	0.5
193.10161	1.4
195.08047	1.2
197.09734	0.7
200.10623	0.8
203.08595	1.6
205.10173	1.5
207.08026	2.2
208.08899	0.9
208.10995	0.4
209.09599	1.0
209.11668	0.4
211.07571	0.6
212.10692	0.5
214.12239	0.6
219.08115	1.1
220.08980	0.4
221.09717	2.3
221.11597	0.4
222.11238	1.4
223.07597	0.9
223.11273	0.6
225.09142	1.1
231.08047	1.0
231.10435	0.5
233.09584	1.2
235.07550	1.3
235.11217	0.6
236.10666	0.6
237.09154	1.3
238.10110	0.4
238.12245	0.4
239.10641	1.1
242.11678	0.4
247.07535	0.4
248.10651	0.7
249.09102	2.0
249.11351	0.4
250.12369	1.1
251.10629	0.7
252.13853	0.4
253.08575	0.7
253.11966	0.4
254.11797	0.7
255.10129	0.6
259.07642	0.5
261.09076	0.5
262.12253	0.4
266.11932	0.7
267.10172	1.2
268.13342	0.5
277.08624	0.7
278.11566	0.5
279.10071	0.7
281.11646	0.7
282.14813	0.5
292.13293	1.0
295.09598	0.6
296.12796	0.8
302.11588	0.5
308.16315	0.4
309.11276	0.6
310.14471	0.9
320.12711	0.5
324.15918	0.8
327.12436	0.5
342.17078	0.8
352.15479	1.0
356.18533	0.9
370.16525	1.1
374.19543	0.9
384.18134	1.2
386.57727	0.4
402.18967	1.9
412.17734	0.5
420.20172	0.4
434.21860	1.3
452.22595	0.5
462.21432	0.8
506.18021	0.9
510.21390	0.9
528.22614	0.9
538.20673	2.6
570.23047	2.9
588.24390	1.9
598.22479	0.5
630.25336	4.6
648.26508	9.7
649.26605	0.9
708.28473	100.0
709.28558	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.1
55.01864	18.2
55.05506	20.7
57.03433	20.4
61.02900	3.8
66.25079	3.6
67.05495	73.0
69.03425	33.4
69.07069	22.8
71.04985	8.1
79.05485	52.9
81.03407	99.2
81.07046	64.1
82.09196	3.1
83.04963	30.7
83.08605	30.2
85.02892	60.0
85.06527	9.8
86.90161	3.2
87.00828	10.1
91.05466	55.7
93.07030	61.3
95.04958	47.0
95.08598	35.7
97.02882	91.2
97.03484	6.1
97.06519	14.1
97.10168	10.7
98.03222	11.1
99.04426	7.7
99.08076	3.3
105.01853	9.7
105.07022	34.6
107.04939	51.6
107.08586	37.0
109.02856	16.2
109.06519	10.4
109.09518	3.3
109.10125	20.2
111.04432	27.0
111.08052	13.4
116.06217	3.5
116.25874	3.5
117.07030	15.6
119.08566	46.2
119.09395	4.3
121.06514	6.9
121.10115	46.6
123.08064	6.1
123.11707	11.1
127.03886	23.7
129.07025	18.4
131.04930	4.8
131.08542	20.3
133.10106	19.4
135.08057	7.3
135.11659	37.7
137.05913	4.5
137.09650	5.6
137.13292	4.0
139.03889	21.3
140.04292	3.4
140.30038	3.3
143.08556	3.6
143.35997	3.0
145.04964	9.0
145.06499	11.2
145.10107	45.2
147.08035	6.5
147.11685	13.9
149.09612	11.0
149.13226	3.6
153.12723	9.4
155.08530	14.8
157.04945	8.0
157.10097	15.0
159.02905	4.6
161.13298	4.8
163.11159	48.2
163.14902	4.1
173.09613	28.4
175.11153	16.1
181.12193	18.9
189.16408	9.3
191.10620	19.3
193.12183	45.5
209.11681	8.7
211.11295	2.5
211.13243	74.9
211.15086	5.6
218.07869	3.2
227.12656	19.4
231.04991	6.7
245.22614	41.1
259.20840	3.2
263.23712	23.3
265.14316	100.0
267.15857	23.8
283.15347	85.3
285.16922	48.7
287.05304	6.3
288.05695	3.4
301.16461	47.8
351.14236	3.9
383.21683	3.4
457.25543	19.5
475.26859	70.9
493.20685	4.5
493.27878	74.8
511.28897	69.2
512.29089	4.8
691.61646	4.6
708.39368	4.6
709.37360	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	708.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01874	16.7
55.05502	38.6
57.03428	28.7
57.07070	5.0
61.02917	8.8
67.05496	55.8
69.03419	11.1
69.07060	14.9
69.71423	8.3
71.04988	7.2
73.02913	9.3
79.05484	49.4
81.03406	100.0
81.07047	52.3
82.04204	4.1
83.04974	31.3
83.08612	39.4
85.02885	35.1
85.06521	2.7
91.05465	57.5
92.05771	2.2
93.07034	36.0
95.04951	48.8
95.08612	21.3
97.02880	10.2
97.06535	11.5
97.10162	16.8
98.07285	5.6
105.03383	3.6
105.04488	2.9
105.07019	34.7
107.04945	16.5
107.08588	20.7
109.06519	8.9
109.10152	18.7
111.04466	5.0
111.08054	14.6
113.06040	4.2
115.05477	2.9
116.04693	8.7
117.07011	7.0
119.08569	32.8
121.06519	4.6
121.10137	15.8
123.08052	6.6
125.09616	18.2
128.06293	2.5
129.05464	31.4
129.06955	15.2
131.08560	18.8
131.31532	2.2
133.06483	4.5
133.10101	18.1
135.08038	7.0
135.11688	6.0
137.09625	5.6
142.07787	5.0
143.07065	5.7
143.08606	2.4
145.10112	7.6
147.08009	4.4
147.11661	24.3
149.09592	7.4
151.11143	2.6
153.12700	4.3
157.08595	12.1
157.10107	23.9
158.05739	2.5
163.11191	13.9
165.12741	4.3
171.10124	4.6
173.09569	3.1
173.11725	3.5
175.11165	19.1
181.12206	2.8
189.11191	7.3
191.10628	4.0
193.12230	73.9
199.13222	15.8
209.09874	2.6
209.11600	13.0
210.12509	2.4
211.13260	97.2
212.13657	3.6
227.12752	14.2
229.14224	3.9
234.83243	2.6
249.14975	2.2
255.15932	3.7
267.15915	26.3
283.15411	18.0
285.13733	4.8
285.16916	73.8
286.17264	4.6
301.16428	73.4
302.16812	2.5
339.17828	3.3
409.25790	7.1
439.26770	12.2
459.27545	5.3
475.27069	6.9
476.27802	4.1
477.28577	3.3
493.27844	22.9
494.28308	6.3
511.29034	57.8
512.29352	4.8
653.94873	2.5
708.30603	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	708.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05510	3.8
57.03431	3.5
57.07069	0.9
59.24134	0.8
61.02917	3.5
67.05490	8.1
69.07052	6.0
69.13435	5.1
71.04989	1.0
73.02911	1.6
73.08485	0.8
79.05473	6.7
79.05859	0.9
81.03400	1.9
81.07043	9.8
83.04967	3.0
83.08630	2.6
85.02903	3.6
91.03949	1.5
91.05474	6.0
93.07040	8.5
95.04960	3.7
95.08575	6.3
97.02872	1.8
97.06496	1.9
104.64405	0.8
105.03374	1.2
105.07014	8.4
107.04954	3.9
107.08603	4.9
109.06506	4.3
109.10168	3.6
111.04444	0.9
111.08082	1.5
117.07021	2.2
119.08552	5.8
121.06484	4.6
121.10115	4.0
123.08059	1.9
126.96222	0.8
129.06949	1.6
131.08530	7.7
133.06529	0.8
133.10114	7.0
135.08043	1.7
135.11713	2.5
136.32344	0.7
137.09569	0.9
143.08537	1.3
145.10072	4.6
147.08005	1.6
147.11646	5.9
149.09595	3.1
149.13307	1.6
151.11241	2.2
155.08472	0.9
157.10127	1.5
159.11720	3.6
161.09624	2.2
161.13208	1.8
163.06058	1.1
163.11154	3.7
169.10149	1.2
171.11623	0.8
173.09662	1.3
173.11723	0.8
173.13240	2.2
175.11191	1.4
191.14301	0.9
193.12251	1.1
201.12654	0.9
207.13725	1.6
211.13239	1.7
219.13713	1.7
239.18047	1.0
247.20544	1.5
257.18967	5.2
275.20044	25.6
283.15390	2.0
285.16800	1.5
293.21063	2.8
349.23691	100.0
350.24023	5.7
367.24579	3.1
493.27701	3.1
511.28659	1.5
708.29858	1.6
709.29956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.6
55.01865	15.0
55.05252	3.0
55.05503	46.4
55.98616	1.9
57.03428	12.3
57.07068	3.6
59.04988	2.4
61.89417	1.8
65.03921	5.0
66.53753	2.0
67.05493	68.3
68.05816	2.0
69.03407	7.3
69.06695	3.6
69.07053	36.9
71.04974	7.0
71.08630	2.6
71.43833	1.7
73.02885	2.1
77.03916	2.0
79.05480	70.0
81.03400	14.4
81.06562	5.0
81.07043	100.0
82.07377	2.3
83.04964	16.9
83.08604	29.1
85.02892	3.5
85.06528	3.2
91.03929	2.5
91.05464	66.1
93.07033	57.8
95.04951	34.1
95.08590	36.6
97.02877	4.8
97.06514	14.0
97.10159	24.2
99.00784	3.8
99.08044	2.9
105.04459	3.4
105.07008	44.0
107.04929	18.6
107.08573	40.8
109.02857	8.4
109.06496	17.4
109.10131	19.7
111.04428	7.9
111.08082	9.6
115.05446	2.9
117.07001	25.3
119.08566	37.9
120.08908	2.8
121.02828	2.5
121.06493	11.3
121.10123	17.3
123.04361	2.4
123.08064	11.1
123.11734	4.2
125.09618	17.5
127.07502	1.9
128.06187	3.9
129.06989	7.0
131.08539	27.3
133.06476	5.9
133.10097	25.1
135.08006	19.6
135.11671	14.0
137.09573	6.8
143.08563	9.4
145.06447	5.5
145.10101	19.9
146.13196	1.9
147.08046	7.3
147.11667	9.2
149.09583	14.6
149.13216	6.2
151.11134	5.5
153.09091	6.6
153.12708	3.3
155.08549	4.3
157.10100	7.5
159.08037	6.0
159.11638	12.7
161.09602	12.7
161.13295	4.2
163.07512	9.4
163.11143	17.1
165.09102	4.5
165.12769	3.9
169.10136	2.5
171.11632	3.1
173.09572	3.9
173.13220	5.2
175.11189	3.5
177.12729	5.2
179.10657	3.9
181.12236	3.7
183.11697	3.3
187.11070	2.7
187.14764	2.5
189.09535	2.7
189.11240	14.6
189.12779	3.2
191.10570	2.9
193.12152	14.2
195.13773	6.7
205.12207	2.1
223.13197	7.1
227.12665	10.4
243.17412	5.2
247.20456	2.6
251.16365	2.9
255.15778	7.1
257.18939	8.8
261.18427	6.8
267.15988	2.6
269.17438	10.6
271.16885	7.6
273.18512	5.6
275.20001	33.7
289.17923	30.4
291.19421	6.0
293.21021	14.8
307.19025	5.3
331.22531	3.1
345.20587	2.5
349.23743	20.8
363.21564	16.5
365.23001	4.1
367.24649	8.3
381.22595	37.2
399.19073	4.9
483.31146	2.0
557.34546	7.0
561.34094	10.7
575.35742	44.4
576.35931	4.3
594.32434	2.0
615.38287	2.9
637.40686	6.6
655.41748	19.0
673.42749	6.5
691.39453	3.6
708.39978	53.8
709.39325	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	708.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74132	2.0
53.03940	4.7
55.01858	10.9
55.05506	25.0
57.03429	7.6
57.07053	5.0
65.03928	4.5
67.05494	45.8
69.03434	6.1
69.07054	28.9
70.55608	3.8
71.04992	4.7
79.05489	49.1
80.47334	2.3
81.03422	10.0
81.07049	100.0
81.76545	2.0
83.04964	12.2
83.08604	15.2
85.02885	2.7
85.06564	2.4
87.04461	23.9
88.04784	4.5
90.41989	1.8
91.05473	47.1
91.82834	2.0
92.06342	1.8
93.07033	38.7
93.07600	3.1
95.04963	20.2
95.08585	26.7
95.80397	2.0
97.06530	9.0
97.10140	10.3
99.08091	4.7
105.07017	34.8
107.04916	14.7
107.08588	27.1
109.02874	3.5
109.06506	28.2
109.10159	13.0
111.04417	4.6
111.08044	7.4
117.06992	14.6
119.08559	35.9
121.06506	8.7
121.10140	13.5
122.11771	2.4
123.04425	2.8
123.08064	8.9
123.11692	6.0
125.09621	7.4
125.66674	1.9
129.07018	5.2
131.08563	16.7
133.06520	2.0
133.10118	26.5
135.08049	14.1
135.11662	6.7
137.09592	4.5
137.86316	2.2
143.08562	6.4
145.06480	3.4
145.10075	16.7
147.08025	6.7
147.11646	13.8
149.09604	7.3
149.13249	6.1
151.11154	3.6
153.09074	2.9
155.08496	1.9
157.10152	6.6
159.08043	5.0
159.11638	10.1
161.09573	9.9
161.13260	5.0
163.07512	4.5
163.11174	9.1
163.14886	2.4
165.09099	2.6
165.12828	4.8
171.11699	3.6
173.09644	3.4
173.13225	3.3
175.11154	3.7
175.14883	2.8
177.12740	3.2
179.10699	4.8
179.14214	2.5
181.12225	2.4
183.11646	3.2
185.13284	2.5
187.11159	3.7
189.11243	4.9
193.12283	11.6
201.12704	2.1
227.12779	4.2
229.19452	2.5
239.18066	2.6
239.83189	2.3
247.20561	2.7
257.18948	6.2
271.16803	2.7
273.18478	2.9
275.20038	47.8
289.17932	15.4
291.19543	8.9
293.21133	11.0
307.18924	5.6
349.23697	26.6
363.21768	3.0
367.24756	28.6
381.22675	76.1
553.45111	2.1
637.40179	2.4
649.46216	2.1
655.41980	23.6
656.42761	2.1
673.42932	24.1
674.43835	3.0
708.37744	9.8
709.38538	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	708.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01864	13.5
55.05252	3.4
55.05503	51.7
57.03431	10.0
57.07058	3.9
59.05000	2.0
65.03918	4.0
67.05495	61.5
69.03410	7.2
69.07053	33.3
71.04962	4.1
71.08640	2.4
72.08665	1.7
73.02900	2.1
79.05032	3.2
79.05484	56.0
79.05942	3.5
81.03391	14.1
81.07045	73.1
82.07421	1.9
83.04966	15.7
83.08606	38.6
85.02869	2.6
85.06515	3.9
85.54278	2.1
85.98592	1.6
87.04453	3.7
91.05466	54.3
93.03363	1.7
93.07034	49.7
95.04950	31.0
95.08593	38.2
97.02875	4.0
97.06514	10.6
97.10157	13.9
98.22626	3.6
99.00771	4.2
99.04460	2.3
99.08086	2.7
103.05470	2.3
105.04495	1.8
105.07014	46.2
106.37030	1.6
107.04956	21.8
107.08580	40.3
109.02869	7.4
109.06518	16.7
109.10149	19.1
111.04440	5.6
111.08069	11.0
113.06106	1.7
115.05428	2.6
117.07002	21.9
119.08566	42.9
121.06501	11.9
121.10126	22.7
123.04420	4.9
123.08056	9.0
123.11703	4.2
125.09618	11.1
128.06221	2.5
129.06955	9.8
130.43616	1.9
131.08551	25.7
133.06483	5.7
133.10112	35.6
135.08049	17.4
135.11639	11.4
137.05971	2.1
137.09586	8.1
139.07568	2.1
139.11179	3.4
141.06947	3.6
142.07770	1.9
143.08569	7.7
145.06465	6.6
145.10103	25.7
147.08005	4.7
147.11661	16.8
149.09599	24.4
149.13219	4.1
151.07466	2.8
151.11122	8.9
153.09096	2.5
153.12701	2.7
155.08553	3.8
157.10121	7.4
158.23999	1.9
159.08005	6.2
159.11703	12.2
161.09592	10.1
161.13246	4.7
163.07564	7.3
163.11159	28.4
164.11497	1.7
164.31052	1.6
165.09041	2.5
165.12730	8.1
167.10699	1.9
169.10123	4.4
171.10320	1.7
171.11682	6.5
173.09592	4.7
173.13181	7.9
175.11185	5.2
177.12724	3.7
179.10629	2.9
183.11656	4.0
185.11800	1.9
187.11264	2.1
187.14819	2.6
189.11215	7.4
191.10588	2.9
191.14354	3.9
193.12231	17.9
197.13254	5.6
199.14891	2.1
205.12213	2.4
211.13112	2.7
213.16245	1.9
215.17801	2.0
219.89894	1.5
223.13290	6.5
227.12740	5.9
229.19447	3.9
235.37515	2.4
239.17941	7.8
243.17381	2.4
247.20564	3.4
257.19028	14.1
261.18460	4.1
262.22656	1.6
267.15808	3.7
271.17035	8.0
273.18472	2.6
275.20038	92.8
276.20374	3.5
283.15298	4.7
289.17923	27.5
291.19556	6.1
293.21005	16.2
307.18936	6.5
315.33157	1.9
335.25861	2.2
336.25980	2.5
349.23703	59.0
350.24246	2.7
363.21796	7.8
367.24765	31.2
367.79227	1.6
381.22656	100.0
382.23029	4.1
401.66064	1.9
409.00397	1.9
545.34900	2.4
637.40662	5.3
655.42041	37.0
656.41193	3.7
673.42926	32.5
674.42609	2.4
708.39276	8.3
709.40570	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	708.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57121	2.4
53.03944	4.9
55.01875	17.0
55.05254	3.8
55.05507	66.8
57.03435	13.4
57.07059	2.5
59.04995	4.3
65.03932	4.4
67.05496	63.4
69.03420	6.8
69.07065	39.9
70.02987	2.8
70.03310	5.0
71.04998	7.9
74.54173	2.6
79.05486	65.3
81.03412	14.6
81.07047	80.4
83.04962	21.5
83.08604	42.4
85.02898	7.6
85.06539	5.3
86.44780	2.5
91.05470	62.3
92.05776	2.6
93.07035	64.5
94.07336	2.2
95.01300	2.3
95.04958	86.3
95.08588	33.1
97.02904	5.1
97.06545	12.1
97.10165	24.2
99.04455	7.7
99.08136	3.4
103.05449	2.4
105.04535	3.1
105.07024	49.4
107.04946	23.7
107.08582	47.6
109.02883	6.9
109.06513	20.2
109.10164	16.5
111.04436	16.8
111.08064	11.0
113.06032	2.3
115.05424	3.8
117.07013	21.5
119.08564	44.8
121.06488	17.6
121.10148	26.1
123.08054	8.8
123.11710	6.5
125.09612	24.6
129.06981	7.7
131.08560	24.3
133.10107	37.1
133.21556	2.5
135.08051	22.0
135.11671	16.3
137.05913	3.5
137.09628	7.3
137.80254	2.4
141.06982	4.4
143.08513	7.9
145.06485	5.3
145.10114	33.6
147.08020	10.8
147.11697	11.6
149.09592	37.3
151.11151	6.4
153.09059	5.3
153.12828	2.6
155.08557	4.0
157.10075	4.2
159.08081	3.8
159.11710	13.0
161.09650	14.8
161.13269	4.7
163.07579	10.8
163.11148	38.2
165.09129	2.5
165.12779	4.0
169.10110	5.6
171.08174	2.8
171.11638	4.6
173.09648	4.0
173.13217	2.9
175.11232	3.5
178.49530	2.1
179.10719	3.2
183.11711	6.0
187.11159	6.8
187.14795	3.6
189.11201	25.0
191.10600	3.8
191.14247	3.1
193.12199	21.9
198.40974	2.1
201.12718	3.4
205.12260	6.2
211.13260	5.6
223.13264	42.4
225.11197	2.9
227.12766	8.6
229.19542	3.6
239.17937	4.8
243.17427	3.3
247.20589	2.7
257.18903	11.0
261.18430	3.5
267.41470	2.3
271.16916	9.7
275.20038	80.6
283.15277	4.1
289.17993	24.8
293.21060	48.5
307.18973	8.0
349.23752	26.2
363.21490	11.9
367.24783	41.7
381.22687	100.0
382.22809	3.5
521.30237	2.9
617.10638	2.5
637.40955	3.1
655.41992	23.8
656.31769	2.5
656.42090	2.8
673.42914	48.2
708.39349	7.6
709.39795	2.8
717.23456	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	709.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
58.06581	1.5
67.05504	2.3
69.49014	5.1
79.05488	2.3
81.07031	3.1
85.02881	2.0
85.10361	1.2
91.05479	2.3
92.99883	1.3
93.07015	1.4
95.08633	1.3
96.47738	1.3
107.08578	2.6
131.08493	1.4
134.53827	1.3
236.08311	1.4
247.07588	1.5
264.10260	2.4
265.10852	1.5
266.11606	1.9
279.09854	2.0
279.12610	4.7
280.09659	13.2
292.09555	4.3
293.10275	1.3
294.11047	7.2
295.08743	2.1
295.11957	6.7
297.11075	3.0
306.11472	1.5
307.08920	1.8
307.11926	7.7
308.09094	9.4
309.13632	4.5
310.10733	4.8
310.14276	4.9
322.10715	14.1
323.11328	5.9
324.08554	5.5
324.12241	4.6
325.09055	1.3
336.95020	1.5
337.12723	2.8
338.10153	6.3
338.13821	65.9
339.10797	3.8
339.14471	7.0
339.50424	1.2
353.16168	100.0
354.13150	22.3
354.16412	2.3
355.13531	1.9
368.14844	20.4
369.15201	2.5
373.10431	1.4
604.19543	3.3
619.21594	4.0
632.22638	1.8
647.24561	3.7
662.27362	29.4
663.27454	2.1
692.30658	12.5
694.27948	6.8
709.18640	2.0
709.31201	32.2
710.31793	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
55.05507	14.1
57.03429	11.7
59.04988	1.6
61.02907	1.9
67.05498	20.0
69.03417	4.6
69.07069	5.9
71.04983	3.6
71.44621	1.5
79.05483	25.1
81.03407	84.9
81.07044	20.2
83.04969	10.6
83.08614	20.5
85.02893	14.8
85.06537	1.2
87.04434	2.5
91.05470	27.9
93.07036	15.7
95.04962	26.7
95.08579	8.7
97.02880	4.6
97.06538	3.8
97.10165	5.1
103.05445	1.5
105.03384	3.7
105.07019	19.9
107.04944	10.0
107.08560	7.8
109.06507	4.3
109.10142	4.0
111.04449	3.5
111.08043	8.5
115.05470	1.6
117.06984	4.2
119.04907	1.5
119.08561	16.9
121.06513	5.3
121.10115	9.3
123.08074	2.5
123.11660	1.3
125.06024	1.6
125.09631	5.3
127.03883	1.5
128.06174	1.7
129.03719	1.2
129.06989	12.8
131.04939	3.1
131.08568	12.1
133.06464	6.6
133.10106	9.3
135.08028	2.8
135.11707	1.8
137.06004	1.4
137.09596	2.7
142.07768	3.4
143.08574	1.5
145.06494	5.1
145.10107	4.2
147.04396	1.3
147.08029	4.4
147.11687	11.4
149.09616	7.7
155.08521	2.0
157.10106	12.0
161.09563	1.6
163.11128	3.2
165.12770	3.2
171.08060	2.3
175.11140	11.0
189.11191	1.4
193.12216	29.3
211.13264	16.7
249.14809	3.4
267.15878	100.0
268.16278	3.1
273.14752	3.7
285.16953	16.6
341.20822	1.5
349.21484	2.9
367.22626	10.8
385.23752	11.4
403.24667	3.5
415.24890	2.2
433.25842	13.5
441.26599	5.9
459.27383	61.0
460.27890	3.0
463.22928	2.5
477.21454	2.1
477.28418	41.2
478.28555	1.6
495.29355	2.2
710.38049	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	710.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.4
53.16191	1.1
55.01863	2.8
55.05503	17.7
57.07069	3.1
59.53967	1.3
61.02939	1.2
61.27523	1.3
65.03944	2.7
67.05495	46.9
69.07057	10.9
69.14034	1.0
71.04977	3.9
79.05481	62.7
81.03404	4.2
81.07047	42.2
81.07413	1.1
83.04965	7.4
83.08614	7.7
85.02904	1.7
85.06514	2.1
85.10170	1.5
91.05467	43.3
91.70029	1.1
93.07034	57.9
94.07394	1.5
95.04954	17.5
95.08590	25.2
97.02875	1.8
97.06519	3.6
97.10156	2.4
99.08093	2.9
105.04504	3.6
105.07017	26.3
106.00079	1.2
106.07343	1.2
107.04953	5.7
107.08570	19.2
109.06505	4.0
109.10133	10.8
111.08098	1.8
117.07008	6.5
119.08561	16.0
121.06502	2.7
121.10136	17.0
123.08054	3.5
123.11672	2.5
125.09627	2.1
128.06290	1.3
129.06996	7.0
131.08543	8.1
133.10100	9.6
135.08067	1.8
135.11649	6.8
137.09587	1.5
143.08530	4.3
145.10110	10.7
147.11668	17.0
148.12032	1.2
149.09550	2.3
149.13220	2.6
151.11111	2.3
159.11710	3.8
161.09641	1.5
161.13239	6.1
163.11195	1.5
165.12634	1.5
169.10052	1.2
171.11678	11.2
173.13252	3.2
189.12755	3.8
193.12273	1.6
201.58499	1.1
205.19398	1.2
207.13765	12.4
215.17950	4.4
233.18939	5.3
275.20081	2.2
277.21619	1.8
281.17407	28.5
291.19528	2.2
293.20947	2.0
307.22598	50.6
351.25137	1.6
371.28033	1.3
381.22452	2.2
383.24005	1.5
513.35657	100.0
514.35828	6.9
514.80383	1.2
657.43011	1.6
710.41357	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	710.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
54.18019	2.1
55.01855	3.1
55.05506	17.4
57.03432	12.1
57.07064	3.1
65.03930	4.5
67.05497	72.1
69.03436	3.5
69.07067	15.7
71.04983	3.0
71.08616	8.0
79.05479	37.9
81.03406	3.8
81.07047	49.8
83.04973	6.6
83.08614	8.7
84.60986	1.9
85.02927	2.5
91.05470	82.4
93.07034	41.7
95.04954	15.2
95.08594	33.6
97.06513	5.5
97.10148	5.3
99.08073	7.7
105.04565	2.0
105.07014	47.2
106.79805	1.8
107.04951	2.2
107.08579	25.4
109.06515	6.6
109.10142	13.8
111.82913	2.1
114.95816	2.1
117.07008	9.1
119.08564	13.4
121.06528	3.3
121.10143	13.0
123.04414	2.4
123.08055	2.8
123.11673	4.5
125.09639	2.4
128.06244	2.8
129.07005	3.0
131.08563	10.4
133.10110	85.4
135.08066	2.5
135.11658	12.6
143.08514	4.0
145.10100	8.2
147.11662	5.5
149.09602	3.8
149.13243	4.5
151.11156	6.9
154.52074	1.9
159.11674	3.7
161.09583	11.7
161.13203	4.9
163.11177	2.8
171.57068	2.2
173.11823	2.2
173.13197	2.8
174.05916	1.8
177.12737	2.8
179.14262	3.3
187.14836	2.5
193.12230	9.6
197.11795	3.1
208.97549	2.4
209.11534	1.9
229.14348	3.3
235.23238	2.0
236.88466	2.2
251.12621	2.9
253.14294	55.7
261.22186	7.6
275.20117	7.0
277.21637	6.2
291.19595	4.1
293.21045	36.4
334.91452	2.2
335.25757	100.0
336.26257	3.1
349.23474	4.1
351.25296	4.0
365.23337	2.8
367.24744	9.9
383.24197	9.5
421.30978	2.6
473.43655	2.3
505.34830	2.7
513.35706	80.4
514.36078	3.9
545.38245	10.9
675.44196	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	710.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56830	4.0
53.03942	6.4
55.01863	15.2
55.05502	58.4
57.03437	18.3
57.07069	10.4
67.05492	79.0
69.03403	5.2
69.07060	40.0
69.31757	16.8
71.04996	5.5
71.08626	10.4
79.05038	7.6
79.05479	76.8
81.03404	20.5
81.06564	5.2
81.07045	100.0
83.04983	19.7
83.08614	31.0
85.02876	4.4
85.06546	8.4
85.10164	25.3
91.05467	62.1
93.07031	64.1
94.06728	4.3
94.07328	4.2
95.04958	60.8
95.08597	47.8
97.02879	8.7
97.06543	10.8
97.10172	25.8
99.04453	5.9
99.08087	11.6
103.83170	3.7
105.07018	41.0
107.04937	34.1
107.08583	48.1
109.06488	22.5
109.10158	22.8
111.04447	6.5
111.08089	10.3
113.09634	23.0
117.06995	23.3
119.08554	43.8
121.06484	15.3
121.10130	23.0
123.04385	3.5
123.08064	15.0
125.06007	3.8
125.09628	19.0
129.07011	7.1
131.08571	20.6
133.06528	4.5
133.10088	30.6
135.08022	14.5
135.11703	16.5
137.09634	7.8
143.08540	12.3
145.06479	4.7
145.10101	21.3
147.08044	11.6
147.11682	14.5
149.09579	18.4
151.11145	11.8
153.12665	4.7
155.08492	4.5
157.10054	6.4
159.11687	6.8
161.09657	13.3
161.13290	6.1
163.11165	26.5
165.12746	31.1
171.10277	3.8
171.11674	7.8
173.09741	6.1
173.11528	3.4
175.11198	5.7
177.12743	3.5
181.12128	8.0
189.11174	12.4
193.12164	24.0
223.13281	16.7
227.12729	20.1
257.18988	4.1
259.20370	3.9
273.18311	7.4
275.20029	36.1
277.21655	36.3
289.17938	13.7
291.19479	39.2
292.19827	9.0
293.21030	33.8
295.22617	85.8
307.18845	4.7
308.12100	3.5
313.18933	3.8
347.21851	4.9
349.23694	15.3
351.25259	23.2
363.21478	5.8
365.23224	11.6
367.24680	25.6
369.26288	26.5
381.22614	47.1
383.24146	27.6
398.42294	3.9
523.98419	4.0
595.47058	15.5
605.45313	4.2
639.42102	10.4
657.43481	36.0
675.44745	41.3
676.44617	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	710.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	2.1
53.03939	5.6
55.01869	29.4
55.05503	47.1
57.03431	10.4
57.07070	5.1
59.04979	1.9
65.03941	4.4
67.05498	73.3
67.67188	1.8
69.03413	7.2
69.07056	39.5
70.05516	4.8
71.01379	1.5
71.04980	5.8
71.08624	16.9
79.05482	54.3
80.05815	1.6
81.03412	12.5
81.07047	100.0
82.07381	2.1
83.04973	19.4
83.08604	27.2
85.02924	2.5
85.06544	4.1
85.10176	4.3
91.05469	60.9
93.07034	53.1
94.07375	4.2
95.04961	26.7
95.08596	35.9
97.02873	3.2
97.06509	15.9
97.10149	15.3
99.00790	3.9
99.08063	13.5
105.07017	39.8
107.04935	18.0
107.08581	32.6
109.02871	6.1
109.06499	20.4
109.10138	17.5
111.04436	4.0
111.08073	22.2
113.09637	5.8
115.05446	2.8
117.06985	13.0
119.08565	33.9
121.02776	1.5
121.06462	8.9
121.10133	19.4
123.04422	4.1
123.08031	7.5
123.11678	6.6
125.09618	12.5
128.06233	2.9
129.07010	8.8
131.08565	16.8
133.06476	4.3
133.10115	30.6
135.08054	13.7
135.11690	13.5
137.09601	6.8
137.13297	2.7
139.07527	2.0
139.11168	4.9
143.08540	5.8
145.06413	3.0
145.10114	14.0
147.08049	2.4
147.11662	21.0
149.09583	11.5
149.13242	9.2
151.11136	11.6
153.12718	4.5
155.08562	2.7
157.10147	5.6
159.08058	5.1
159.11656	8.8
161.09610	7.6
161.13269	8.3
163.07533	7.1
163.11145	12.5
163.14854	2.2
165.12740	14.6
167.10677	2.2
169.10191	2.3
171.11700	3.0
173.09586	2.6
173.13258	3.2
175.11189	4.5
175.14815	2.0
177.12650	3.2
179.10678	4.5
179.14261	5.7
181.12236	2.4
186.38837	1.7
187.11194	1.9
189.09058	2.7
189.11203	6.4
191.10619	2.5
193.12206	26.7
210.55664	1.6
211.13106	2.2
223.13344	3.3
227.12770	6.2
241.19513	2.2
249.22168	2.4
257.19028	2.5
259.20477	4.6
259.90231	1.7
261.18515	2.8
267.15918	2.3
271.16876	5.2
273.18494	2.1
275.20023	24.7
276.20416	2.3
277.21591	47.7
277.24478	3.1
289.17938	20.3
291.19492	7.0
293.21036	9.8
294.21301	2.1
295.22604	12.0
307.18970	5.5
349.23669	12.4
351.25186	19.7
363.21652	7.6
365.23074	3.8
367.24738	14.3
369.26254	32.0
381.17773	4.1
381.22662	83.5
382.23050	5.8
383.24268	19.4
384.24924	2.2
559.36365	2.1
639.42261	4.6
657.43573	32.0
658.43256	3.3
675.44568	37.3
676.44519	4.1
710.40094	2.3
711.40479	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	710.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.1
53.03930	4.3
55.01868	18.4
55.05506	67.4
57.03431	12.3
59.04971	1.9
65.03927	4.3
67.05498	60.3
67.05860	3.2
69.03435	6.1
69.07063	30.3
70.43114	2.1
71.04986	5.5
71.57960	1.7
74.86411	1.8
77.03958	2.9
79.05484	75.9
80.70011	1.9
81.03426	12.8
81.07048	100.0
83.04977	22.2
83.08611	49.5
85.02905	7.8
85.06532	5.4
91.03960	2.2
91.05470	53.1
91.06046	2.6
93.07033	57.0
95.04959	71.4
95.08592	36.0
97.06508	14.6
97.10155	30.1
99.04443	8.3
99.08063	2.8
105.07023	45.2
107.04948	23.6
107.08581	43.9
109.06495	17.5
109.10139	21.5
111.04436	20.2
111.08074	14.6
115.05426	2.3
117.06992	19.4
119.04967	2.0
119.08563	41.4
121.06485	11.7
121.10128	27.5
122.10384	1.9
123.08054	25.2
123.11683	4.2
125.05958	3.1
125.09620	29.3
128.06290	2.8
129.06985	12.3
130.07739	1.8
131.08554	24.6
132.05777	2.0
133.06480	3.2
133.10100	27.1
135.08037	10.4
135.11664	16.8
137.09601	10.3
139.11223	2.0
141.07043	2.7
143.08540	8.4
143.10695	2.9
145.06516	4.2
145.10112	31.9
147.08003	11.5
147.11652	10.7
149.09596	27.8
149.13330	3.1
151.11113	2.4
153.09055	4.7
153.12718	7.5
157.10106	8.0
157.55232	2.1
159.07999	2.8
159.11681	10.9
161.09573	12.6
161.13194	2.8
163.11156	43.2
163.12415	2.9
165.09097	4.4
165.12749	4.4
169.10092	5.5
171.10298	2.1
171.11600	4.6
173.09570	5.8
173.13264	3.3
175.11194	7.6
177.12724	5.7
178.38383	2.2
181.12251	9.1
183.11656	3.1
185.13260	2.5
187.11107	2.4
189.11179	26.9
189.12738	2.4
191.10663	6.8
193.12268	5.5
197.13303	2.7
205.12292	5.3
209.11725	2.5
223.13278	33.3
227.12721	19.7
227.18053	2.7
229.19479	2.5
233.19121	2.6
239.18011	4.6
245.19051	2.7
247.20616	3.9
255.17398	3.8
257.19003	7.6
273.18451	38.4
275.20035	60.7
276.20471	2.8
283.15512	3.5
291.19492	64.8
292.19760	3.6
293.21085	36.5
309.20554	5.7
329.20547	2.2
331.22485	2.9
347.22168	14.3
349.23676	27.1
365.23187	34.3
367.24765	33.8
383.24301	14.7
409.97668	2.2
621.41290	4.0
639.42145	16.7
640.42145	2.5
657.43628	20.4
658.43408	3.5
675.44452	9.3
676.44110	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.70439	1.3
55.01864	11.0
55.05252	2.0
55.05505	27.0
57.03432	7.2
57.07063	2.4
59.04974	2.2
65.03934	3.5
67.05494	50.3
67.70269	1.4
69.03407	3.1
69.07053	25.7
71.04974	4.8
79.05481	48.2
81.03418	6.9
81.07045	100.0
82.07363	1.8
83.04961	11.1
83.08604	18.3
85.02880	3.1
85.06529	4.0
91.05468	36.5
93.07028	42.0
93.28795	1.3
95.04951	19.4
95.08587	27.8
97.02901	1.5
97.06517	9.7
97.10151	13.2
99.04427	2.4
99.08072	3.3
101.58683	1.2
103.05456	1.7
105.07014	34.8
107.04946	14.0
107.08582	29.9
107.09121	0.7
109.06515	18.3
109.10133	16.2
111.04419	7.9
111.08055	5.2
117.07016	12.5
119.08565	29.4
121.06501	8.8
121.10136	15.7
123.08044	17.5
123.11677	5.0
125.09610	11.8
128.06165	1.9
129.06976	9.2
131.08546	17.6
133.06442	3.5
133.10121	15.4
135.08035	5.1
135.11658	9.1
137.09561	6.6
137.13203	1.4
142.07817	1.6
143.08574	3.7
145.06398	2.4
145.10104	16.4
147.08037	6.0
147.11688	12.3
149.09610	9.3
149.13283	5.8
151.11136	2.5
153.09059	2.6
153.12775	2.9
155.08560	2.4
157.10117	6.5
159.08066	2.5
159.11667	9.2
159.22131	1.1
161.09625	7.0
161.13249	2.9
161.23843	1.1
163.11150	13.6
163.14882	2.2
165.09068	2.9
165.12703	3.3
169.10071	1.3
171.10286	1.4
171.11670	4.0
173.09593	3.6
173.13240	3.2
175.11180	5.0
177.12767	2.0
181.10019	1.4
181.12215	4.4
183.11690	2.0
187.11171	2.0
187.14821	2.5
189.11223	10.0
189.12723	1.5
191.10672	3.3
193.12244	3.7
201.12631	1.4
223.13306	3.6
227.12723	10.3
227.17894	2.1
229.19572	2.1
231.17514	1.9
239.18030	1.6
245.19016	3.6
247.20366	2.4
255.17491	2.2
257.19055	4.0
267.15796	2.0
273.18436	22.4
274.18890	1.5
275.20007	36.6
276.20316	1.7
283.15314	4.8
291.19498	36.9
291.22620	2.5
292.19778	2.4
293.21127	7.4
309.20532	3.3
329.20978	1.3
347.22266	7.5
349.19907	1.5
349.23648	18.9
350.24304	1.5
365.23203	20.8
367.24765	28.7
367.29248	1.4
368.25049	2.0
374.00195	1.2
383.24292	14.6
411.32928	1.2
507.22397	1.4
519.32928	1.4
595.47137	3.5
599.23352	1.2
621.41364	2.9
639.42590	12.2
657.43768	13.5
658.43982	1.4
675.44495	8.7
711.40588	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	711.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.7
55.01859	1.2
57.03430	1.9
58.06597	2.2
61.02615	0.6
61.02922	3.5
64.31905	0.7
67.62306	0.7
69.03421	29.3
69.03801	1.6
71.04995	2.9
72.99038	0.7
81.03409	26.4
81.03887	1.4
81.07061	1.0
83.01344	2.4
83.73299	0.8
85.02892	38.9
87.04494	0.9
97.02883	42.8
99.04441	15.0
103.03938	2.0
107.04939	0.8
109.02865	100.0
115.03938	1.5
121.02863	0.9
127.03899	65.4
137.02357	1.3
139.03857	5.7
145.04927	11.6
152.67271	0.8
153.01857	2.4
158.07281	0.7
161.94997	0.9
165.01860	1.3
169.04945	17.9
180.10269	1.8
187.05995	46.7
188.06306	1.6
205.07106	1.8
229.04872	1.8
229.06958	9.8
247.08110	14.7
257.04370	1.9
303.04944	56.6
304.05432	1.4
712.25519	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	711.1761
Annotation	8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]
Peak:m/z	Relative Intensity
53.03937	5.4
55.01857	1.1
57.03423	1.0
58.49376	0.4
59.06664	0.3
59.39658	0.4
61.02912	0.8
67.01856	1.4
68.74364	0.4
68.99773	0.4
69.03419	11.6
69.52213	1.6
70.06572	0.4
71.01315	0.4
71.04990	3.7
73.02924	0.4
81.03406	28.3
82.03757	0.4
83.01315	0.5
83.04977	0.5
85.02889	10.4
89.58057	0.4
93.03446	0.4
95.04985	0.6
97.02877	13.1
99.04443	14.8
101.11190	0.3
103.03936	2.5
109.02864	53.6
110.03200	0.6
115.03918	0.4
121.02832	0.6
127.03896	91.4
128.04222	1.0
135.04459	0.4
137.02321	3.0
137.05980	0.7
138.00676	0.3
139.03850	2.1
145.02922	0.5
145.04951	5.1
153.01793	2.3
154.86015	0.3
163.03879	0.8
165.01814	1.3
169.04941	10.7
177.05406	0.9
183.02879	0.7
187.05988	31.5
188.06374	0.6
201.05379	1.0
207.06520	0.7
229.04950	3.1
229.07024	24.6
247.05833	0.6
247.08102	5.8
257.04434	2.4
274.04761	0.7
285.03809	0.8
287.05325	0.6
292.62582	0.4
303.04941	100.0
304.05264	3.2
327.04901	0.4
345.06073	1.3
411.07071	1.1
441.25986	0.4
462.77936	0.4
465.10211	10.7
466.10742	0.4
645.52588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03938	11.6
55.01860	0.5
57.03419	0.2
58.06584	0.3
61.02910	1.1
64.02004	0.3
65.03912	0.3
67.01855	1.9
68.99772	0.5
69.03416	5.7
70.06586	0.3
71.04990	1.7
81.03403	14.4
82.06516	0.3
85.02888	4.3
91.05473	0.5
97.02877	14.1
99.04433	4.4
103.03940	0.6
105.07003	0.4
109.02859	34.7
110.03177	0.4
111.00780	0.7
115.03914	0.5
117.03368	0.4
119.04937	0.5
121.02843	0.9
123.04427	0.3
125.01784	0.2
125.05930	0.3
127.03893	24.5
128.04184	0.3
129.73860	0.2
131.04887	0.3
137.02324	2.7
137.03371	0.5
137.05931	1.5
139.03864	0.9
145.02820	1.1
145.04922	1.1
145.06471	0.3
147.04379	0.8
149.02301	0.6
153.01762	2.7
161.05952	0.3
163.03864	0.9
165.01842	2.2
167.06967	0.7
169.04947	2.7
173.05893	0.4
175.03908	0.5
177.05457	2.7
181.05034	0.3
183.02846	0.8
183.04353	0.3
186.48827	0.3
187.05988	9.1
187.07343	0.3
191.03328	0.3
201.05449	1.2
207.06520	1.3
208.06889	0.4
229.04951	3.5
229.06989	0.5
247.05899	0.6
247.08098	1.6
257.04376	2.6
274.04785	0.4
275.05228	0.3
285.03906	1.0
287.05466	0.8
303.04926	100.0
304.05261	3.5
315.04767	0.2
393.05774	0.3
411.06982	0.7
453.08182	0.7
465.10205	9.4
466.10510	0.4
586.90771	0.3
711.24011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07656	0.2
51.02388	0.3
53.03942	4.0
54.52512	0.2
55.01867	0.9
57.03432	0.4
61.02913	0.4
65.03925	0.3
67.01857	1.7
68.99788	0.2
69.03419	12.4
69.44620	0.5
69.45009	0.6
71.04982	2.3
73.02906	0.6
81.03406	23.7
83.01333	0.5
85.02894	9.2
85.03410	0.5
91.05480	0.3
93.71483	0.3
97.02880	13.1
98.23418	0.5
99.04443	7.7
103.03915	0.7
107.31277	0.2
109.02862	41.1
110.03243	0.7
111.00763	0.8
115.03922	0.3
121.02854	0.9
122.39931	0.2
127.03897	39.3
128.04263	0.3
133.24878	0.2
137.02322	2.6
137.05937	0.2
139.03870	1.5
145.04935	2.6
149.02367	0.5
152.89645	0.2
153.01807	2.8
157.24908	0.2
163.03922	0.6
165.01776	1.9
165.50542	0.2
166.02649	0.4
169.04936	4.4
173.05974	0.4
177.21822	0.2
183.02875	0.8
183.04399	0.4
187.05994	15.9
201.05460	1.4
207.46776	0.2
213.05301	0.2
215.03284	0.3
219.02919	0.2
229.02654	0.4
229.04913	3.9
229.07069	6.6
238.05936	0.3
247.05981	0.7
247.08127	1.7
257.04422	2.6
274.04675	0.6
285.03940	0.9
302.03973	0.3
303.04938	100.0
304.05255	3.1
345.06088	1.2
371.14508	0.2
389.17395	0.2
411.06937	0.7
465.10208	7.0
466.10321	0.6
485.25876	0.3
516.18384	0.3
649.41370	0.3
693.34955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1756
Annotation	8-Hydroxyluteolin 7-[6'''-acethylallosyl-(1->2)-3''-acetylglucoside]
Peak:m/z	Relative Intensity
51.02367	0.5
53.03941	4.5
55.01868	1.3
57.03416	0.9
61.02916	3.0
68.70629	0.5
69.03418	33.4
69.38211	2.5
69.81099	0.5
71.04984	3.6
81.03406	28.2
83.01331	3.1
85.02891	35.3
86.03272	0.6
97.02876	48.9
99.04442	14.1
109.02860	100.0
110.03193	1.3
111.00877	0.7
115.03924	0.9
127.03893	57.8
128.04219	1.0
137.02330	10.9
137.03365	0.7
137.05988	1.0
138.02652	2.2
139.02785	1.5
139.03888	6.4
145.04941	12.8
153.01813	1.9
163.03920	0.8
165.01843	1.6
169.04930	13.5
177.05441	0.9
178.42165	0.7
179.08466	0.7
180.73967	0.6
187.05981	32.4
201.05429	1.0
205.07060	2.9
206.04442	0.7
207.06503	0.7
229.04927	1.9
229.07047	4.6
247.08247	2.8
257.04407	2.1
303.04935	76.4
303.68289	0.6
304.05344	3.0
465.10245	2.9
503.34726	0.6
534.36292	0.6
600.83667	0.6
677.71918	0.7
710.28888	5.2
711.29333	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	711.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46528	0.2
67.05458	0.4
70.00900	0.4
70.01236	0.5
79.05447	0.3
81.07002	0.5
83.04906	0.3
91.05439	0.3
93.07008	0.4
105.07011	0.4
107.08543	0.3
113.03987	0.2
114.12361	0.2
116.39491	0.3
145.10040	0.2
151.03798	0.2
172.29915	0.2
223.93803	0.2
224.10741	0.2
236.10583	0.6
237.11354	0.3
248.10626	0.3
249.11424	0.3
250.08505	0.2
251.09351	1.1
252.10141	1.4
262.08597	0.4
263.09302	0.5
264.10165	2.9
265.11047	1.5
266.11694	2.8
267.12500	0.4
276.10135	0.4
277.10855	1.4
278.08679	0.3
278.11716	2.1
279.08862	0.7
279.12482	6.3
280.09650	19.0
280.12848	0.6
281.10010	0.9
290.12030	0.2
291.08673	0.2
292.09689	3.7
292.13010	0.2
293.10541	1.0
294.11179	7.7
295.11957	7.0
296.12207	0.5
298.07126	0.5
305.10303	0.9
306.11145	1.5
307.11975	11.5
308.09088	2.1
308.12558	1.3
309.09946	0.4
309.13510	4.7
310.10901	0.3
310.14270	3.9
322.07001	0.2
322.10666	3.9
323.11398	5.3
324.08234	0.3
324.11935	0.3
331.17535	0.4
337.13028	0.9
338.13806	66.6
339.10501	0.9
339.14191	2.7
349.18527	0.8
352.11700	0.4
352.15479	0.3
353.16162	100.0
354.12857	0.6
354.16599	4.3
368.14783	2.0
369.15222	2.3
395.72067	0.2
696.20282	0.3
711.21588	3.3
711.33722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88690	0.9
54.69755	0.8
55.05489	0.9
61.02934	1.5
69.03410	1.0
79.05480	1.7
81.03389	1.9
81.07022	2.7
85.02867	1.9
89.03740	0.8
91.05488	0.9
93.07034	1.7
97.02892	1.2
104.53185	0.9
105.06978	1.1
121.10149	0.9
145.10146	1.0
145.24548	0.8
267.08899	1.1
285.10052	0.9
290.31467	0.8
301.09100	1.1
432.64371	0.9
467.18707	1.8
639.29523	1.1
693.29919	1.8
711.29443	100.0
712.30121	9.5
735.53699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06806	0.4
55.01864	0.7
55.05502	1.2
57.02362	0.5
57.03429	1.8
61.02917	4.4
67.05492	2.9
69.03419	3.5
69.07050	0.7
69.31133	0.7
69.31537	2.0
71.04978	0.6
73.02900	3.2
81.03416	4.8
81.07052	2.9
83.04971	0.8
83.08600	1.4
85.02892	5.3
91.03952	1.9
91.05471	3.9
93.07028	2.8
95.04960	2.2
95.08614	1.0
97.02863	4.7
97.06531	0.8
97.10194	0.4
98.23449	1.1
99.00806	0.9
99.04419	1.0
101.02389	2.2
101.53653	0.4
105.07016	2.7
107.04951	0.6
107.08620	1.3
109.02903	1.7
109.06538	0.7
109.10172	1.4
111.04439	0.7
111.08087	0.7
117.07009	0.6
119.08570	2.0
121.10171	0.9
127.03921	1.8
129.07022	0.7
133.10065	2.6
145.10127	0.5
147.11752	0.9
151.11247	0.7
157.10199	0.8
161.09613	1.0
163.11172	0.7
172.02579	0.6
178.18884	0.5
179.10658	0.8
185.04263	0.6
189.09102	0.9
193.12292	1.8
211.13292	1.2
243.08455	1.7
265.10596	0.7
267.16000	0.8
279.10205	0.7
285.16821	0.5
295.09540	0.6
339.14951	0.4
467.18661	1.1
469.20462	6.2
483.18243	4.7
485.19989	1.2
650.23450	1.4
692.07642	0.6
711.31787	100.0
712.32159	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	711.319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67770	0.6
54.61554	0.6
55.01851	1.6
55.05507	1.8
57.03434	2.1
57.07038	0.7
61.02922	4.4
67.05489	1.4
69.03418	2.9
70.06210	1.5
71.04975	0.9
73.02905	3.8
73.60822	0.6
79.05492	2.7
81.03415	2.6
81.07056	1.9
84.01886	1.1
85.02879	6.0
91.03936	3.2
91.05500	1.3
93.07034	2.4
95.01104	0.9
96.01876	0.6
97.02872	4.1
97.10114	0.7
98.23402	1.1
99.04421	1.2
101.02376	1.8
101.53091	0.7
105.07065	0.7
107.08621	1.0
109.02799	0.8
109.57503	0.7
111.04430	0.8
117.07069	0.7
121.10128	1.1
123.08056	0.9
127.03925	2.9
129.05505	2.4
131.08551	0.9
135.11674	1.0
136.97729	0.6
137.09438	0.6
145.10123	0.9
156.03943	0.8
163.11150	1.2
181.04680	1.0
185.04158	6.7
201.03741	3.0
227.12755	0.9
241.06807	0.9
243.08362	7.4
249.10992	2.3
259.07919	1.1
275.12393	1.7
279.10071	0.9
283.15497	1.1
289.14206	1.0
294.12384	1.6
301.08887	15.8
305.13571	0.8
315.10495	5.3
325.14264	1.0
327.10471	2.7
329.12262	0.9
347.14636	2.0
355.13654	1.4
357.15259	0.9
365.15707	2.5
369.15231	1.4
370.34396	0.8
371.16760	1.9
373.10974	8.8
383.16788	2.5
385.18320	10.7
387.12564	1.8
393.15073	1.5
401.14072	1.2
411.19922	0.9
429.17285	4.3
431.24167	1.7
439.19110	3.3
443.19208	0.8
455.18835	2.0
457.20535	2.8
467.18790	14.7
468.19077	0.9
469.20538	1.3
470.21329	1.4
485.19754	1.5
497.19730	4.8
498.20596	4.1
511.21658	2.7
513.26459	1.5
525.26367	0.8
539.20068	4.5
553.22504	0.8
567.24213	1.6
581.29395	14.2
582.29883	3.4
592.05096	0.6
609.28809	4.6
610.29370	0.8
623.30634	0.9
637.31586	1.1
639.30005	2.0
649.32306	1.3
651.29236	2.1
665.31122	2.6
693.31244	3.0
694.30841	1.7
711.31775	100.0
712.32330	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	712.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90845	0.5
58.06580	0.6
69.03365	0.7
69.91703	1.7
70.06540	1.4
71.70871	0.5
85.02864	0.7
89.03841	0.6
91.05442	1.3
93.06969	0.6
97.02836	0.7
97.23470	0.6
98.22761	0.6
104.36918	0.5
105.06982	1.0
107.08556	0.7
109.02818	1.1
112.07560	1.1
112.16791	0.6
117.03342	1.1
119.04956	2.5
119.08583	0.8
137.05991	0.8
140.57076	0.5
140.59747	0.6
141.46271	0.5
145.02806	4.3
145.10106	0.7
147.04356	2.4
162.04440	0.7
173.09526	0.8
175.03835	2.9
177.05478	7.9
191.08534	1.5
204.52893	0.6
206.04491	0.9
207.06473	5.2
207.08168	1.3
208.08659	0.8
219.08043	2.6
220.08763	3.8
221.09590	0.7
223.11137	2.3
224.08212	1.1
232.52011	0.6
233.09573	2.3
233.11710	1.0
235.07484	2.7
236.08315	7.4
237.08897	0.9
239.10542	1.5
247.07443	1.2
248.08334	0.8
249.09032	2.1
250.09814	1.5
251.10635	13.6
252.07683	0.9
259.09949	0.6
263.06924	1.0
263.10611	2.1
264.07797	1.3
266.09219	0.7
267.10132	4.4
271.45776	0.5
277.08554	1.4
278.09186	0.7
279.10110	31.0
280.07434	0.8
280.10535	1.8
281.08148	0.9
293.11639	0.6
294.12463	93.5
294.98679	0.6
295.09628	32.8
295.12796	3.7
296.10083	2.1
304.05182	0.9
310.11945	44.4
311.12341	2.2
324.12372	0.8
325.14304	100.0
326.14594	4.9
335.22009	0.7
342.16949	30.4
343.17242	1.1
350.10080	0.6
423.09738	0.7
569.94196	0.5
680.22986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01857	3.0
55.05256	1.4
55.05504	16.1
57.03431	10.0
57.07056	2.1
61.02917	1.1
65.03925	2.2
66.17311	0.6
67.05491	41.6
68.05822	0.8
69.03429	1.6
69.07053	9.1
71.04978	3.6
73.02909	0.8
77.03902	0.9
79.05479	45.2
80.05823	0.9
81.03400	1.9
81.07042	40.2
81.85455	0.6
82.07384	1.1
83.04962	4.5
83.08606	7.8
85.02879	1.4
85.06522	2.2
85.10137	0.9
90.75502	0.6
91.05465	21.1
92.05777	0.9
93.07027	53.5
93.42645	0.7
94.07340	1.1
95.04399	1.0
95.04951	10.7
95.08588	37.2
96.08987	0.8
97.02885	3.7
97.06539	4.5
97.10154	3.0
99.04433	2.7
99.08075	1.9
105.04500	2.1
105.07007	12.6
107.04939	7.8
107.08575	27.4
109.06496	3.4
109.10133	10.6
110.57970	0.6
111.04432	1.9
111.08083	1.6
113.05994	0.8
113.09592	1.2
117.06995	9.5
119.08557	14.5
121.06479	4.3
121.10120	23.4
121.10980	1.4
123.08035	2.0
123.11675	3.1
125.05968	2.1
125.09600	2.2
129.05507	0.9
129.07007	1.2
130.07747	1.4
131.08563	5.8
133.10101	7.4
135.08003	3.4
135.11665	36.3
136.11978	1.0
137.09605	1.4
137.13263	1.0
139.07532	1.3
143.08470	1.6
145.10097	22.7
145.11217	1.5
147.11665	2.4
149.09653	1.7
149.13240	3.4
151.11143	1.4
153.12668	1.0
154.34491	0.8
159.11725	3.3
163.11150	37.7
164.11551	1.7
165.12752	1.8
173.13226	2.7
175.11093	0.7
181.12199	7.5
189.11197	1.3
209.11679	1.3
215.17870	7.6
223.81465	0.7
227.12730	49.2
228.13126	2.3
233.18953	8.8
273.18515	2.2
275.19928	0.7
277.21609	1.2
283.15341	52.7
284.15662	1.3
289.21628	0.8
291.19540	3.5
295.22525	3.8
307.22614	100.0
308.23035	3.8
367.24625	0.9
369.26147	1.5
446.70972	0.7
515.33582	70.9
516.33856	6.7
540.12830	0.7
641.43542	1.2
659.44482	1.6
712.40784	9.9
713.40973	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22259	0.7
51.02356	0.8
53.03915	2.9
55.01866	9.1
55.05506	25.8
57.03435	17.5
57.07067	4.0
58.03768	0.6
59.04973	2.7
61.02921	8.1
65.03944	3.5
67.05498	54.7
68.05817	0.8
69.03428	3.7
69.07059	13.3
71.01318	0.9
71.04684	0.5
71.04980	5.6
71.08606	1.2
73.02892	1.7
77.03916	1.3
79.05485	64.1
80.05794	0.8
81.02952	0.8
81.03410	11.5
81.07050	55.2
81.81898	0.7
83.01334	8.6
83.04973	12.6
83.08118	0.8
83.08611	16.2
85.02490	0.6
85.02901	8.7
85.06531	4.8
87.04443	0.8
91.03964	3.5
91.05470	33.9
93.07034	66.6
94.07323	1.6
95.04409	1.0
95.04961	14.0
95.08595	31.4
96.08900	0.7
97.02878	5.9
97.06519	5.8
97.10152	5.0
99.04448	3.4
99.08096	4.6
103.05443	1.1
105.04476	2.6
105.06356	1.3
105.07021	23.1
107.04942	8.1
107.08583	29.6
109.02853	0.8
109.06517	8.6
109.09416	0.8
109.10151	13.3
111.04432	4.2
111.08078	4.0
113.09642	1.4
115.05372	0.8
117.07014	13.7
119.07741	1.1
119.08569	18.3
121.06502	3.9
121.10131	30.0
122.10451	0.8
123.08057	9.9
123.11686	5.5
125.05978	1.5
125.09632	5.3
125.10494	1.0
127.03896	0.9
128.15445	0.6
129.06982	2.2
130.07765	2.5
131.08556	14.4
132.08859	0.7
133.09172	0.9
133.10118	14.2
134.10406	1.0
135.08078	3.6
135.11676	31.6
137.09576	2.8
137.13261	1.2
139.11153	1.1
143.08521	2.6
145.06453	1.4
145.08951	1.2
145.10109	23.1
147.08006	2.0
147.11656	8.0
149.09575	2.3
149.13249	9.7
151.11111	2.2
153.12703	2.7
155.08493	2.1
157.10077	1.8
159.11690	7.4
161.13206	2.4
163.11159	22.5
171.11673	2.6
173.09567	2.8
173.11772	1.1
173.13202	6.9
175.11333	0.7
175.14789	1.5
177.12747	1.3
181.12221	4.4
183.11591	1.3
185.13214	1.5
187.14793	2.2
189.11122	3.0
189.16418	1.6
191.10622	2.7
191.17804	0.8
193.12262	1.7
195.11748	0.6
195.13734	1.0
199.09500	0.8
205.15868	0.8
205.19481	2.7
209.11685	6.9
213.16383	1.1
215.17926	22.0
217.19562	0.8
227.12767	10.1
231.17410	2.0
233.18973	19.6
233.21323	1.2
234.19276	0.7
240.81216	0.7
259.64413	0.7
265.14322	0.8
267.15866	1.2
269.17484	2.0
271.20511	3.3
273.18475	2.1
275.19992	1.1
277.21643	0.9
278.89447	0.6
283.15366	100.0
284.15677	2.6
289.21823	3.0
291.19388	2.7
293.21036	1.1
305.21149	1.0
307.22638	92.9
308.22971	3.5
335.25665	0.6
365.23267	1.2
367.24554	0.8
394.67917	0.6
405.27747	2.2
423.28937	2.6
441.29904	2.0
471.31479	0.7
497.32529	2.7
515.33606	59.0
516.34271	3.6
533.34576	2.5
559.36414	1.3
713.41296	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	712.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.4
53.03933	2.3
55.01857	7.8
55.05501	16.7
57.03428	9.9
65.03910	3.2
67.05495	47.6
69.03409	2.7
69.07055	12.2
71.04969	3.5
71.08607	1.8
73.02901	1.8
79.05481	43.8
79.05943	2.7
79.64577	1.5
81.03400	3.2
81.07042	43.6
83.04959	5.4
83.08593	7.2
85.02915	2.1
85.06551	3.3
87.01627	1.3
91.05464	26.1
93.07031	39.3
95.04939	8.8
95.08598	28.1
97.02885	6.2
97.06506	4.0
97.10150	3.7
99.00792	2.9
99.04446	9.7
99.08074	1.2
105.07003	15.1
107.04932	14.1
107.08576	46.4
108.08916	1.8
109.06497	4.6
109.10132	12.5
111.04450	3.6
111.08071	2.6
115.05428	2.6
117.06993	31.8
119.04890	1.9
119.08549	12.2
121.06489	11.3
121.10114	14.1
121.51818	1.4
123.08074	2.0
123.11678	3.3
125.09612	5.7
131.08559	5.7
133.06444	2.7
133.10092	7.3
135.08034	59.7
135.11662	8.5
137.09596	2.9
137.13080	1.3
145.06468	5.8
145.10100	6.5
147.07872	1.4
147.11623	5.1
149.09567	2.3
149.13231	4.8
153.09045	9.1
157.09946	1.2
159.11664	5.2
163.07516	49.3
163.11133	3.5
163.14813	2.6
165.12846	1.3
173.13269	2.7
175.14699	1.7
181.08575	9.9
184.07262	1.3
199.09627	73.4
215.17804	1.9
243.21014	4.2
255.12239	100.0
256.12543	3.8
261.22101	17.8
269.17273	1.5
275.19952	8.2
277.21658	1.9
283.15448	2.9
293.20993	4.8
307.22656	4.9
317.24701	1.8
335.25732	67.8
336.26007	4.2
349.23633	4.6
367.24570	3.9
407.15930	1.6
515.33551	54.8
516.33600	3.1
641.43610	3.4
712.40973	8.6
713.41235	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	712.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01870	12.2
55.05510	14.8
57.03431	22.6
57.07048	2.7
57.69366	1.4
60.48156	1.3
61.02921	8.5
63.83002	1.6
65.03932	3.4
67.05495	60.8
69.03420	4.1
69.07058	14.9
71.04984	2.4
71.08636	1.8
73.02902	2.3
77.03897	1.6
79.05485	76.1
80.05838	1.8
81.03406	13.4
81.07047	55.3
82.07386	2.3
83.01337	10.9
83.04958	4.3
83.08629	8.8
85.02895	9.5
85.06522	2.3
91.03917	3.1
91.05469	85.0
92.05817	1.9
93.07034	63.4
95.04961	9.3
95.08593	40.7
95.97146	1.5
97.02894	4.6
97.06517	6.3
97.10162	5.2
98.30519	1.6
105.04521	4.0
105.07014	19.3
107.04961	9.4
107.08581	53.8
109.06494	6.4
109.10143	20.6
111.04433	1.7
111.08089	1.5
113.09679	1.7
115.05425	8.2
117.07003	63.8
118.07357	1.6
119.08558	18.2
121.06497	2.7
121.10117	17.2
123.08032	3.0
123.11694	4.8
125.09586	3.9
129.07013	1.6
131.08554	11.8
133.10120	10.6
135.08037	65.1
135.11667	13.1
137.09595	3.3
137.13275	2.9
143.07019	1.7
145.10088	9.8
147.11693	7.7
149.09607	3.1
149.13243	4.4
151.11148	2.5
153.09090	3.5
157.10121	2.7
159.11679	6.2
161.13228	5.9
163.07542	10.5
163.11104	1.7
163.14742	3.3
165.09155	2.0
169.10130	2.0
173.13281	4.8
175.14778	1.8
181.08556	4.4
184.07404	1.7
187.14793	3.2
189.11247	1.8
199.09676	6.8
209.57243	1.7
227.12781	1.9
241.19604	1.6
243.21107	5.2
255.12238	100.0
256.12527	3.7
261.22089	19.8
283.15305	2.0
293.21008	3.2
299.23694	2.6
307.22559	3.6
317.24857	2.9
335.25754	77.3
336.26111	4.7
351.25089	2.0
423.28882	2.6
497.32327	4.7
515.33673	42.9
516.33960	3.3
533.35187	2.5
712.40381	3.5
713.41223	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	712.462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01863	3.9
55.05503	15.8
57.03173	1.8
57.03430	20.8
57.07061	2.9
61.02919	3.6
65.03940	2.3
67.05495	63.4
69.03417	2.8
69.07057	20.6
71.01358	1.9
71.04990	4.8
71.08640	1.8
77.03941	1.0
79.05483	47.2
80.79471	1.1
81.03417	3.3
81.07048	45.7
83.04980	14.1
83.08615	8.1
85.02884	3.4
85.06534	4.3
85.10210	1.0
91.03957	1.3
91.05469	20.2
93.07031	66.6
94.07320	1.1
95.04983	7.9
95.08592	33.1
97.06516	12.0
97.10165	8.5
98.23508	2.3
99.08087	2.8
105.04507	2.1
105.07022	12.2
107.04915	1.5
107.08581	42.6
109.06506	2.2
109.10130	16.0
111.08093	3.6
117.06987	7.5
119.08567	12.9
121.06487	1.3
121.10131	19.1
121.68942	0.9
123.08080	1.5
123.11675	4.7
125.09626	2.4
131.08533	6.2
133.10083	9.2
134.10426	1.3
135.08180	1.1
135.11676	53.9
136.12024	1.2
137.09615	1.6
139.11206	1.2
143.08478	1.2
145.10103	14.7
147.11699	4.4
149.13245	5.4
151.11256	1.3
151.92282	1.0
153.12680	7.1
159.11731	4.1
161.13246	3.3
163.11148	7.3
163.14819	2.2
171.11722	1.4
173.13219	1.7
175.14824	1.7
177.16382	1.0
181.12186	14.4
187.14767	2.0
199.13342	2.4
227.12503	1.3
243.21086	3.3
253.14323	2.3
255.15878	100.0
256.16266	2.8
258.39389	1.1
261.22070	12.6
275.19980	1.7
277.21570	1.1
317.24814	3.2
335.25748	69.0
336.25974	3.1
338.27405	1.0
423.32578	2.4
441.33365	1.1
497.35886	1.7
515.37256	84.7
516.37695	4.2
533.38123	2.5
601.82556	1.0
713.42334	2.0
714.78851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93905	3.1
53.03944	5.4
54.37240	2.5
55.01865	16.9
55.05506	66.7
57.03436	21.4
57.07068	6.8
57.27823	2.8
65.03932	9.0
67.05495	96.3
69.03413	5.0
69.07057	31.4
71.04986	8.1
71.08626	11.3
79.05479	85.9
81.03418	12.2
81.07050	100.0
83.04964	17.7
83.08614	46.0
84.35870	2.9
85.02882	5.9
85.06543	5.2
91.05470	66.5
92.05808	4.3
93.07031	84.5
93.07594	5.6
95.04953	40.9
95.08595	50.6
97.02882	4.4
97.06523	12.8
97.10166	23.2
99.04448	5.8
99.08086	9.4
105.07017	46.5
107.04934	34.8
107.08576	65.6
107.09258	5.5
108.08946	4.2
109.02827	3.2
109.06512	18.2
109.10162	25.5
111.04423	11.4
111.08051	15.6
113.09643	3.9
115.05470	4.8
117.07001	35.5
119.08567	40.6
121.06484	13.4
121.10110	24.8
123.08059	10.7
123.11683	6.4
125.09634	19.6
129.07018	7.4
131.08545	30.2
133.06494	4.9
133.10110	27.3
135.08038	39.8
135.11690	23.6
137.09590	7.7
143.08582	5.7
145.06470	5.0
145.10095	31.1
147.08032	6.0
147.11668	15.4
149.09592	21.6
149.13254	7.7
151.11211	6.8
153.09116	14.0
153.12735	4.7
155.08589	5.3
157.10118	6.1
159.11671	14.2
161.09656	6.0
161.13234	4.7
163.07518	31.8
163.11176	39.4
165.12741	13.7
169.10091	4.5
171.11720	5.6
173.09608	3.7
173.13243	6.9
175.11208	6.8
175.14703	3.9
177.11263	2.9
177.12744	10.0
181.08545	6.0
181.12231	4.4
184.07417	3.2
186.53668	3.1
189.11208	15.5
191.10703	6.4
195.13785	5.3
197.13309	3.0
199.09654	47.0
209.11670	4.1
213.36533	2.8
215.18040	5.2
223.13246	8.0
227.12735	15.3
229.19426	4.6
233.18935	6.1
239.17998	5.5
247.20541	3.7
255.12251	55.0
257.18970	11.5
261.22119	9.0
269.17441	3.6
273.18436	3.6
275.20038	69.6
276.20404	4.0
277.21606	7.5
283.15332	18.1
291.19470	8.2
292.78690	3.0
293.21063	70.0
307.22626	20.1
331.18829	3.4
335.25748	48.2
349.23633	39.1
365.23123	5.2
367.24728	60.1
385.25742	15.4
515.33636	45.8
516.33850	4.8
519.33032	4.7
543.36230	3.8
549.39825	4.5
623.42633	7.4
641.43872	27.0
659.45496	17.7
677.45801	3.7
712.40955	42.8
713.42242	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	712.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48341	2.7
53.03934	6.4
55.01865	18.5
55.05500	65.2
57.03429	16.6
65.03918	6.2
67.05495	69.9
67.69221	2.9
69.03413	7.1
69.07055	29.5
71.04966	6.2
71.08602	12.3
73.02906	3.1
79.05037	4.7
79.05478	67.5
81.03413	18.7
81.07047	75.3
83.04967	23.1
83.08601	50.9
85.02901	6.0
85.06523	3.9
85.10165	3.5
91.05460	51.9
93.07034	71.5
95.04955	85.2
95.08584	47.3
97.06511	13.6
97.10159	25.3
99.04406	8.5
99.08067	11.2
103.05438	2.9
104.08270	2.8
105.06350	4.5
105.07013	44.5
107.04938	27.0
107.08572	49.5
109.06480	14.8
109.10134	23.9
111.04395	17.9
111.08081	8.2
117.06995	19.3
119.04908	3.4
119.08558	28.9
121.06538	5.8
121.10117	32.5
123.08040	15.0
125.09598	26.0
129.06918	6.6
131.08553	21.6
133.10092	25.4
135.08005	10.4
135.11650	24.3
137.09572	6.1
139.11159	5.8
142.07722	4.2
143.08461	6.7
145.10089	25.8
147.08055	7.4
147.11676	15.7
149.09584	25.7
149.13223	6.9
151.11145	8.1
153.09041	6.4
153.12718	3.6
155.08569	4.3
157.10135	7.5
159.11668	15.2
161.09592	7.8
161.13197	9.1
163.11143	52.4
165.12685	10.7
169.10071	3.2
171.10231	4.2
171.11661	6.3
173.09543	7.5
173.13211	8.0
175.11145	3.1
177.12698	9.5
181.12170	5.6
183.11629	3.4
189.11223	23.8
191.10680	4.5
195.13680	4.9
197.13062	3.4
205.12263	8.2
209.11696	4.3
215.18033	4.4
223.13271	37.9
227.12726	38.9
233.18996	4.2
239.18092	3.5
247.20520	6.2
257.18994	10.2
269.17505	3.9
273.18414	7.9
275.20007	74.3
283.15381	27.0
291.19498	10.4
293.21048	100.0
294.21469	3.2
307.22601	21.3
311.22073	3.9
331.18652	7.9
331.22339	3.5
349.23697	38.5
351.93234	3.3
365.23215	6.8
367.24698	63.5
368.25351	3.0
385.25668	11.8
441.29147	3.3
515.33484	13.0
531.37073	3.7
559.36298	4.5
563.28333	3.3
641.44287	22.8
659.45013	25.4
677.46136	4.3
707.75598	3.9
712.40515	31.1
713.41882	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	712.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34755	2.1
53.03921	6.6
55.01866	12.3
55.05248	4.3
55.05499	42.5
57.03432	15.0
57.07054	9.2
58.06579	3.3
59.04985	4.9
65.03936	3.0
67.05491	77.4
67.23873	2.3
69.03403	6.2
69.06712	2.7
69.07056	31.1
71.04974	6.0
71.08604	3.9
79.05479	77.5
80.05793	2.9
81.03400	18.8
81.06557	5.4
81.07042	100.0
82.07381	2.8
83.03568	3.0
83.04987	20.0
83.08607	25.7
85.02901	6.0
85.06520	5.3
85.10172	19.8
85.46576	2.7
91.05463	53.4
93.07027	67.1
95.04963	35.8
95.08013	3.9
95.08591	51.9
97.02849	3.7
97.06511	12.5
97.10156	25.2
99.04458	3.5
99.08082	5.2
105.07006	37.0
107.04930	20.8
107.08570	36.7
109.06499	21.3
109.10133	25.3
111.04420	14.3
111.08058	10.3
113.09636	18.0
117.06995	19.5
119.08566	33.7
121.06470	9.7
121.10118	32.0
123.04423	3.5
123.08025	22.9
123.11732	3.8
125.09647	18.3
129.06990	7.3
131.08528	26.1
133.06456	4.8
133.10103	25.5
135.08032	8.6
135.11659	29.5
137.09584	8.2
143.08580	7.8
145.06488	2.7
145.10077	29.4
147.07999	9.7
147.11674	17.3
149.09599	10.8
149.13220	5.3
151.11159	7.9
153.09076	5.1
153.12685	6.4
153.56036	2.5
157.10086	6.0
159.11649	10.3
161.09544	6.2
161.13235	4.3
163.11154	35.7
165.09099	3.6
165.12718	29.2
171.11671	6.9
173.09583	6.0
173.13249	4.9
175.11143	6.7
181.12222	7.8
189.11142	16.6
189.12701	2.7
191.10648	5.2
193.12146	3.5
195.13731	3.4
215.17865	9.7
223.13315	8.0
227.12744	38.5
233.18977	9.6
259.20453	3.1
269.17471	4.5
273.18436	25.4
274.18936	3.9
275.19849	4.6
276.20306	3.7
277.21567	31.4
283.15314	38.6
284.15796	3.0
291.19492	52.5
292.19806	4.6
293.20816	3.3
295.22662	63.3
296.22986	3.2
307.22574	51.8
308.22882	3.0
309.20428	3.2
342.53226	2.7
347.21988	8.5
348.22626	3.2
351.25333	17.2
365.23239	25.8
369.26328	23.9
383.24451	12.2
515.33557	39.0
516.34027	3.9
577.37280	3.4
623.42993	4.4
641.43695	20.3
642.44958	3.5
659.45062	18.9
677.45673	7.8
712.40100	21.3
713.41125	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	712.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49326	2.0
50.55799	2.3
53.03941	6.0
55.01863	18.7
55.05503	42.2
57.03426	15.7
57.07067	3.9
61.02903	7.4
65.03930	2.4
67.05495	80.6
69.03411	6.4
69.07055	28.0
71.04982	9.1
71.08611	11.6
77.03947	2.5
79.05482	68.6
80.05820	3.1
81.03407	18.8
81.07043	100.0
83.01342	2.9
83.04964	15.6
83.08604	28.8
85.02887	8.8
85.06525	5.2
85.10166	4.9
91.03966	3.7
91.05473	51.9
92.05834	2.6
93.07031	69.6
95.04961	28.5
95.08593	42.3
97.02885	3.9
97.06508	11.0
97.10142	22.2
97.34538	2.5
99.08085	10.8
105.04502	5.3
105.07012	38.4
107.04955	24.1
107.08578	45.9
109.06514	17.8
109.10133	18.0
111.04414	9.8
111.08057	13.4
113.09619	5.7
114.10332	2.9
117.07013	18.2
119.08569	32.9
121.06488	8.7
121.10131	33.4
123.08069	15.4
123.11685	9.9
125.09589	14.6
129.06953	5.5
131.08537	22.5
133.06512	2.6
133.10098	25.0
135.08043	9.9
135.11664	22.6
137.09561	4.6
139.11119	3.7
142.07797	2.7
143.08536	5.1
145.10086	18.8
147.08002	5.8
147.11665	13.7
149.09601	12.2
149.13246	12.2
151.11162	6.9
153.09088	5.1
153.12749	4.5
157.10100	8.6
159.11679	12.8
161.09575	4.2
161.13260	5.0
163.11157	24.4
165.12737	11.1
171.11671	5.7
173.13237	5.4
174.94168	2.7
175.11159	3.1
175.14708	3.0
177.12738	5.4
181.12257	4.5
187.14795	2.8
189.11217	11.0
191.10670	4.4
193.12312	3.8
195.13617	2.4
199.09636	3.3
205.12177	3.8
215.17923	10.7
223.13358	5.5
227.12747	17.1
233.18959	9.3
255.12263	3.2
267.15756	2.9
269.17297	2.9
273.18405	11.1
275.20044	25.0
277.21600	20.4
279.26807	4.0
283.15381	43.1
291.19519	23.8
293.21042	25.6
295.22504	4.4
307.22653	34.2
321.31302	2.9
335.25705	4.0
347.22171	6.7
349.23599	12.1
351.25412	13.7
353.30441	6.8
353.50797	2.9
365.23145	19.7
367.24692	27.5
369.26178	18.6
383.24222	7.9
385.25644	4.7
515.33521	27.0
623.43195	4.7
641.44305	16.6
659.45239	15.7
677.45880	7.3
713.42224	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	712.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.01861	13.6
55.05249	3.4
55.05503	43.1
57.03423	15.8
57.07058	4.0
58.06613	2.0
59.04972	2.8
61.02903	3.2
65.03922	2.9
67.05495	78.5
69.03400	2.9
69.07051	25.6
71.04971	6.8
71.08614	8.2
79.05477	76.5
81.03394	13.0
81.07046	100.0
83.01321	3.7
83.04966	16.9
83.08609	26.7
85.02880	5.8
85.06528	7.8
91.05461	41.5
93.07032	71.0
95.04958	27.7
95.08591	48.8
96.45934	2.0
97.02874	4.7
97.06506	12.0
97.10159	22.5
99.04453	2.9
99.08107	13.3
105.04471	2.5
105.07014	35.4
106.07331	2.5
107.04938	14.4
107.08580	43.4
109.06491	13.7
109.10125	17.1
111.04430	7.6
111.08064	9.2
113.09610	3.1
117.06998	22.1
119.08561	30.1
121.06497	9.6
121.10127	30.9
123.08038	13.7
123.11668	3.8
125.09619	17.5
129.06964	5.4
130.07744	3.4
131.08566	21.8
133.10088	20.5
135.08032	8.2
135.11679	35.6
137.09599	4.0
142.07719	2.3
143.08519	6.1
145.10109	25.4
147.08054	4.8
147.11700	11.4
147.12733	2.1
149.09604	9.1
149.13228	17.4
150.44545	2.4
151.11154	7.3
153.09062	3.6
153.12714	3.2
155.08528	4.3
157.10112	5.0
159.08055	3.2
159.11639	11.8
161.09613	4.7
161.13246	3.3
163.11153	36.6
165.12770	3.0
169.10068	3.2
171.11705	6.4
173.09686	4.0
173.13254	3.6
177.12755	5.3
181.12244	5.3
189.11169	15.6
191.10622	3.4
193.12088	3.5
195.13788	4.3
199.14793	2.3
209.11662	4.2
215.17970	9.5
227.12733	44.4
233.18968	7.9
257.19275	2.4
269.17404	16.8
273.18381	16.4
275.20029	7.3
277.21552	8.0
283.15378	53.1
284.15628	3.7
291.19489	32.3
293.21158	18.8
295.22324	2.5
307.19101	3.9
307.22629	66.1
308.23016	3.7
309.20660	3.1
347.22046	4.9
349.23505	5.1
351.25287	10.4
365.23157	10.4
367.24692	6.5
383.24228	2.8
431.27368	2.3
515.33551	43.1
541.34863	3.3
543.36816	2.7
559.36090	9.1
561.37640	3.3
577.36926	4.6
641.43414	7.2
659.44879	4.3
690.50476	2.3
712.40082	4.1
713.41528	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	713.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01857	0.6
55.05505	1.5
57.03432	2.6
58.06601	0.5
61.02925	3.7
65.67658	0.5
67.05497	3.2
69.03420	2.6
69.07063	0.9
69.11226	2.5
69.11635	1.0
73.02914	2.3
75.04478	0.8
79.05474	4.3
81.03403	5.2
81.07043	4.1
83.04960	1.4
83.08613	1.1
84.08157	0.6
85.02898	5.6
85.06568	0.5
87.04465	1.4
91.03963	2.0
91.05476	4.4
92.26652	0.5
93.07020	2.6
95.04987	2.4
95.08601	1.9
97.02888	3.8
97.06547	1.2
97.10175	0.5
98.23497	1.0
99.04419	1.0
101.02386	1.3
101.06031	0.9
103.03905	0.6
105.03398	3.0
105.04526	0.6
105.07039	2.2
106.03730	0.7
107.04960	1.3
107.08594	1.4
109.02878	1.3
109.06514	0.9
109.10185	1.4
111.04433	1.2
111.08057	2.4
115.03963	0.7
117.07019	0.9
119.08591	2.3
121.06512	0.7
121.10162	2.0
127.03926	1.4
131.08585	1.3
133.10126	1.0
135.08009	0.5
135.11714	1.3
137.05975	0.9
137.09602	0.7
140.37958	0.5
145.02831	1.0
145.10114	1.6
147.08038	0.6
147.11742	0.7
149.09602	0.9
153.12772	0.5
157.10159	0.9
163.11247	1.8
173.09659	1.3
175.11272	0.8
177.05438	2.9
181.12157	0.7
185.04242	0.9
191.10757	0.8
193.12292	1.4
209.11873	0.8
220.28304	0.6
239.12756	0.7
243.08412	1.7
251.12582	1.0
267.12106	0.5
307.15390	0.7
352.63879	0.5
467.19037	0.8
469.20444	5.8
485.19839	7.2
553.26746	0.9
571.26904	0.9
575.24200	2.4
613.28790	0.9
631.29205	8.4
631.38800	0.7
632.29492	0.7
713.33374	100.0
714.33728	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	713.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01862	1.4
55.05493	1.3
57.03428	2.0
57.07076	0.8
61.02914	3.5
67.05492	2.5
69.03416	2.9
69.07047	1.1
70.57565	0.9
71.04992	1.0
71.26250	0.5
73.02903	3.3
79.05492	3.2
81.03401	3.1
81.07050	2.6
83.01060	0.6
83.04977	1.0
83.08611	1.1
85.02892	7.8
91.03946	3.4
91.05484	2.2
93.07043	1.9
95.04966	1.5
95.08603	1.1
97.02872	5.0
99.04453	0.8
101.02419	1.1
105.03428	0.8
105.07051	1.5
107.04935	0.7
107.08601	0.7
109.10149	1.9
115.03926	0.8
116.92233	0.6
119.08620	1.6
121.02664	0.5
121.10169	0.8
123.04156	1.0
124.08579	0.6
125.09622	1.0
127.03902	1.8
129.05496	2.1
129.06970	0.9
131.08546	0.8
133.10106	0.7
135.08139	0.7
145.04953	0.9
147.11646	1.5
157.10135	1.3
172.77518	0.6
175.11180	0.6
185.04198	6.7
193.12187	1.2
199.05750	0.9
201.03725	2.4
203.05319	0.9
211.13263	0.8
221.11354	1.1
227.05409	0.6
233.11685	0.6
243.08339	4.2
251.12563	4.7
277.14169	2.4
291.15659	1.6
301.08890	15.1
315.10397	4.0
327.10504	1.5
329.11963	0.7
341.12180	1.4
347.22479	0.8
349.16180	3.1
355.13696	1.1
357.15414	0.8
367.17191	1.8
371.16861	2.0
373.10956	4.6
383.16699	3.7
385.18228	7.1
387.12683	1.2
395.16873	2.2
419.24246	0.7
429.17365	2.2
433.25665	3.4
439.19403	2.5
443.18762	5.0
457.20367	1.6
467.19022	1.1
469.20383	15.9
470.21280	0.7
479.26453	0.9
483.21701	1.1
484.18817	1.0
485.19650	4.3
498.20154	1.0
499.21329	5.0
511.21307	1.9
527.28217	1.2
528.21741	6.0
541.22467	8.7
555.24060	1.5
569.26025	2.1
583.30115	1.4
611.30157	5.6
612.30786	4.7
625.32867	0.8
651.33569	1.0
653.32074	1.4
667.32513	1.9
695.32007	3.3
713.33276	100.0
714.33789	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	713.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17527	0.4
55.01859	0.7
55.05498	2.4
57.03423	0.5
57.91006	0.4
67.05492	3.8
69.07065	1.6
72.73962	0.4
76.23515	0.4
79.05477	2.8
81.03438	0.7
81.07045	4.8
83.04990	1.3
83.08620	1.1
85.02898	0.5
85.74136	0.4
91.05480	2.1
93.07032	3.5
95.04969	1.3
95.08620	1.5
97.10178	1.6
105.07034	1.6
107.04971	0.8
107.08610	2.0
109.06524	0.9
109.10165	1.0
111.04453	1.5
111.08057	0.6
117.07042	0.7
119.08605	1.7
119.46291	0.5
121.06533	0.7
121.10144	1.8
123.08026	1.1
125.09651	1.1
131.08566	0.7
133.10110	1.2
135.11752	0.8
145.10182	1.3
147.11720	0.6
149.09625	0.8
159.11705	1.0
159.22189	0.5
163.11211	0.9
181.12265	0.6
258.38388	0.5
269.46710	0.5
273.18561	0.8
275.19986	0.8
331.18759	7.0
349.19788	4.7
387.21368	3.9
398.50006	0.5
405.22366	3.7
411.61334	0.5
459.23853	0.7
713.42242	100.0
714.42542	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	713.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01864	1.5
55.05504	5.2
57.03434	2.1
57.07064	1.3
59.04975	0.5
67.05496	6.9
68.05824	0.8
69.03399	0.6
69.07059	4.1
69.16850	1.1
69.17257	1.5
71.04980	0.7
73.85169	0.4
77.50971	0.5
79.05476	7.5
80.05826	0.7
81.03413	2.0
81.07044	11.5
81.07496	0.8
82.07376	1.3
83.04985	1.7
83.08610	2.2
84.08979	0.5
85.06541	0.9
85.10178	2.0
91.05473	7.4
92.05769	0.5
93.07024	6.5
94.07362	0.7
95.04964	2.6
95.08605	3.6
97.06535	1.5
97.10147	2.3
99.08068	0.5
105.07021	3.4
106.69447	0.4
107.04961	2.0
107.08591	3.9
108.08901	1.1
109.06522	1.5
109.10161	2.1
111.04408	1.1
111.08037	0.9
113.09638	1.3
114.09904	0.6
117.07022	1.9
119.08559	3.8
121.06529	1.0
121.10150	1.8
123.08088	1.5
123.11716	0.6
125.09627	1.5
129.06946	0.6
131.08548	2.4
133.10121	2.6
134.10480	0.5
135.08043	1.3
135.11703	1.5
137.09601	0.6
137.13400	0.5
143.08600	0.6
145.10118	1.4
146.10333	0.5
147.08084	0.9
147.11690	2.0
149.09616	0.7
149.13289	1.1
153.12787	0.6
155.43024	0.4
157.10162	0.6
159.11702	0.8
163.07475	0.5
163.11162	1.1
165.12753	2.4
166.13072	0.8
173.13277	0.5
175.11276	0.6
181.12050	0.5
184.07326	0.9
189.11157	0.9
227.12880	1.2
255.12276	0.7
269.23676	0.4
273.18506	1.4
274.18756	1.1
275.20184	0.7
277.21619	1.7
278.22189	1.1
279.12598	0.6
280.09692	1.2
283.15491	1.5
284.15784	1.3
291.19583	1.6
292.19955	2.0
307.22705	1.0
308.23187	0.9
309.24197	0.5
333.20270	9.2
334.20547	0.5
335.26077	0.7
338.13846	4.9
347.18332	1.7
351.25589	1.2
352.25525	1.6
353.16122	6.6
354.17007	0.7
365.23251	0.9
366.23486	0.8
369.26627	0.6
389.22928	5.7
393.65533	0.5
403.21014	1.6
516.34088	1.0
517.35126	0.7
587.35681	0.7
642.44641	1.3
643.34210	0.6
660.45917	0.8
713.42151	100.0
714.42621	9.6
731.70825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.7
53.03934	1.7
55.01857	0.3
56.05025	0.4
57.03420	0.3
58.06572	0.4
58.49621	0.2
69.03414	2.5
70.06565	0.6
71.04985	0.3
71.07359	2.5
77.03923	1.4
79.05482	1.8
81.03407	5.2
81.07028	0.2
84.87975	0.2
85.02891	2.6
87.45916	0.2
88.07632	0.3
91.05477	2.8
93.07030	1.8
95.04957	7.2
97.02878	3.3
98.32906	0.2
99.04437	1.0
103.05450	1.0
105.03378	54.2
105.04391	3.2
106.03717	0.6
106.04831	0.3
107.04936	3.2
108.05709	0.6
109.02866	3.0
119.04939	2.0
120.08096	0.3
121.06491	7.5
123.04430	2.6
127.03909	2.3
132.08069	0.6
134.05908	0.3
136.07579	0.3
144.08150	0.3
145.02936	0.2
145.04945	0.8
146.09631	0.3
147.10478	0.3
148.07545	1.3
149.08339	22.9
150.08647	0.3
162.09099	0.8
163.09883	0.6
164.10684	100.0
165.11046	2.5
166.08611	0.3
177.05492	0.3
182.11749	0.5
206.11745	0.4
231.06493	0.7
249.07547	5.3
249.10109	0.3
267.08585	3.2
279.11276	0.3
327.13303	0.3
335.10101	0.3
339.13382	0.9
367.12881	0.5
430.18530	2.3
488.18390	0.3
520.20844	0.3
618.56195	0.2
682.25836	1.1
696.26379	37.2
697.26678	3.4
714.27704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03935	3.8
57.03424	0.8
58.06372	0.3
58.06593	3.7
60.30634	0.4
65.03915	0.4
67.05513	0.3
69.03417	5.1
69.28105	1.4
69.28515	0.7
71.04967	0.7
77.03902	2.0
79.05474	2.4
81.03403	9.8
81.45432	0.3
85.02888	4.5
91.05462	8.6
95.04957	13.2
96.39980	0.4
97.02870	7.2
99.04419	1.8
103.05453	0.4
105.03375	100.0
105.04513	3.9
106.03725	1.9
109.02856	6.9
119.04148	0.6
119.04932	6.5
121.06492	1.3
123.04412	6.3
123.07996	0.4
127.03896	6.6
136.05174	0.9
137.05959	3.7
145.04953	2.9
149.08385	0.8
151.07515	42.3
152.07857	0.9
164.10672	4.3
177.05458	0.4
177.28522	0.4
180.10197	1.0
182.11734	40.9
183.12126	0.7
189.09135	0.4
207.06519	0.6
211.38092	0.4
214.24525	0.4
231.06499	1.4
247.05936	0.4
249.07539	14.6
250.07938	0.5
267.08585	9.1
324.61801	0.4
430.18640	0.4
448.19473	4.8
474.61151	0.4
696.26379	2.9
714.27362	13.2
715.27612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
57.03424	0.7
59.98546	0.4
61.02914	0.9
67.05499	0.5
69.03424	3.4
79.05488	1.0
81.03407	1.8
81.07053	0.8
82.06581	0.5
85.02892	3.9
87.04496	0.6
93.07045	1.4
94.06558	3.1
95.04950	0.7
95.07347	0.7
96.08134	1.6
97.02879	1.8
105.07047	0.5
107.07330	1.3
108.08101	5.2
109.02853	1.0
110.09662	4.3
112.07598	0.6
120.04474	2.0
120.08082	5.8
122.06017	5.7
122.09647	3.7
124.07578	1.0
127.03910	1.0
132.08057	0.6
136.07559	9.5
138.05498	0.6
138.09116	6.9
146.06004	1.3
148.07581	4.0
150.05534	0.7
150.09116	5.1
152.07056	1.4
164.07065	1.5
166.08609	17.5
172.03966	0.9
177.05496	0.7
180.10303	0.8
190.04944	0.6
193.08646	0.5
194.08167	1.4
196.09830	0.6
197.10701	0.8
211.12271	0.6
212.09404	1.0
213.10118	0.8
221.10640	0.7
223.08540	0.7
223.12317	1.2
224.09348	0.8
225.10210	2.9
226.10898	0.9
227.11786	1.8
233.10751	1.0
234.11522	0.7
235.08727	1.5
235.12289	0.6
236.09386	1.3
237.10214	8.0
238.10910	1.6
239.08286	0.9
239.11719	4.1
247.08952	0.5
248.09428	1.0
249.10197	6.5
250.10912	2.5
251.08186	2.2
251.11781	7.8
252.08846	0.9
252.12486	1.6
253.09692	4.8
254.10403	0.6
255.11203	3.6
261.10107	4.6
262.10995	1.9
263.11734	4.9
264.09106	0.8
264.12457	0.6
265.09653	11.5
265.12485	0.8
266.10406	2.2
267.11237	6.4
268.12024	0.7
269.09164	0.8
271.10852	1.3
274.07150	0.6
276.08798	0.7
277.09674	3.7
278.06882	1.1
278.10532	4.0
279.07764	2.2
279.11200	13.9
280.08887	0.8
280.11749	2.6
281.09482	2.4
281.12323	2.3
282.09995	1.4
283.10779	5.8
285.12442	1.5
287.14017	1.4
289.09668	10.2
290.10364	1.3
291.11240	4.1
292.11838	0.9
293.09238	5.1
293.12848	4.6
294.09937	3.9
295.10782	3.7
295.14075	0.8
296.11639	2.8
297.12268	3.2
298.12790	0.8
299.10284	1.8
305.09314	1.1
306.09869	1.3
307.10751	4.9
308.11475	1.9
309.12244	4.0
310.12964	0.7
311.10291	5.7
311.13922	3.3
312.10944	3.3
313.11734	3.1
314.12616	1.5
317.09225	1.5
319.10785	0.8
321.08719	1.0
321.12369	1.3
323.10233	2.0
323.13968	2.6
324.10989	2.5
325.11798	4.8
326.12436	3.3
327.13324	7.1
328.14352	0.6
335.10205	18.4
336.10748	1.5
337.11713	3.3
339.09781	1.9
339.13342	44.4
340.10495	3.4
340.13977	1.6
341.11249	5.9
341.15042	1.1
342.16104	0.6
352.10526	1.1
353.11218	12.4
353.15286	0.9
354.11948	5.9
354.15646	0.7
355.12820	15.0
356.13235	1.3
366.12146	0.9
367.12814	36.4
368.13248	1.8
386.14731	0.6
399.15414	1.0
400.16418	0.8
414.18320	0.8
418.17517	0.7
432.19125	1.8
442.17474	1.2
444.19153	1.3
460.18710	4.3
461.19370	0.6
470.17084	1.2
472.18695	1.1
474.20441	1.3
478.19931	2.0
479.20581	1.3
488.18051	28.4
489.18524	1.5
492.21417	1.7
502.19714	1.5
506.19171	17.9
507.19702	1.3
520.20709	20.6
521.20996	1.7
534.18585	1.3
548.20087	1.0
552.23566	0.7
620.81427	0.5
622.23682	1.8
632.22015	1.2
632.75140	0.5
638.26373	0.6
650.23279	11.3
651.23676	1.0
654.26794	1.6
664.24609	1.0
682.25934	100.0
683.26288	8.1
714.28546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01864	2.5
55.05249	1.6
55.05506	21.0
57.03431	16.9
57.07072	1.3
61.02927	4.2
63.92323	0.7
65.03928	2.3
67.05499	50.2
68.46166	0.7
69.03441	4.7
69.03740	0.8
69.07059	11.1
69.23579	4.6
71.04981	5.9
73.02910	2.1
77.03921	1.6
79.05486	54.6
81.03413	44.6
81.07048	46.7
83.04968	10.2
83.05434	1.0
83.08618	18.8
83.09094	1.6
85.02896	21.8
85.06546	3.0
91.03958	2.0
91.05473	36.9
93.07037	55.6
94.00690	0.7
95.04961	25.4
95.08599	26.1
95.09207	1.7
97.02888	4.3
97.06520	5.4
97.10174	3.3
98.30698	0.9
99.08078	4.3
105.04546	2.2
105.07024	26.9
105.07732	1.6
107.04945	4.2
107.08583	16.0
109.06532	4.9
109.10149	11.5
111.04488	1.6
111.08087	8.1
113.06004	1.8
117.07017	5.5
119.08568	19.5
121.06473	1.3
121.10136	25.3
123.08096	2.1
123.11718	3.6
125.09621	2.6
129.06992	7.0
131.08549	14.3
133.06491	2.1
133.10104	14.1
134.10507	0.9
135.11670	12.3
135.12622	1.0
137.09624	2.1
137.13210	1.1
142.07780	2.6
143.08495	1.6
145.10109	7.5
147.08038	2.3
147.11665	13.0
149.09622	4.1
149.13254	4.7
151.11174	1.5
155.08586	1.1
157.10106	9.5
159.11665	5.2
161.13275	2.7
163.11227	1.3
165.12804	2.3
171.11691	1.3
173.13303	3.4
175.11195	9.3
187.14832	1.9
193.12241	31.9
211.13277	46.7
212.13660	1.4
215.17894	13.1
233.18974	11.1
267.15872	13.5
285.16934	52.9
286.17264	1.6
307.22644	86.4
308.22949	3.9
407.29529	1.6
425.30392	1.4
499.34097	11.0
517.35205	100.0
517.96484	0.8
518.35394	6.5
560.75122	1.0
715.43597	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	714.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01864	3.2
55.05508	19.5
57.03431	13.4
57.07073	1.8
61.02915	2.7
65.03930	1.1
67.05499	40.3
67.05863	2.3
69.03417	3.2
69.07062	11.1
71.04980	3.9
73.02919	1.8
79.05486	45.8
80.05819	1.0
80.06498	0.9
81.03410	35.3
81.07052	36.8
82.07367	1.3
83.04970	9.5
83.08608	17.9
85.02903	14.6
85.06527	2.3
91.05473	26.3
91.06042	1.7
92.05785	2.0
93.07030	45.5
95.04960	21.8
95.08598	23.9
96.08909	1.7
97.02932	2.3
97.06516	3.8
97.10156	4.0
98.22611	2.4
99.08080	3.3
105.04477	2.1
105.07021	20.0
107.04938	6.5
107.08582	18.5
109.06506	5.2
109.10155	9.8
111.04406	1.4
111.08086	5.3
113.05972	1.5
117.07011	5.2
119.08565	15.7
121.06565	1.1
121.10126	21.7
123.08053	3.2
123.11694	2.8
125.09606	3.3
129.06981	5.5
131.08565	12.7
133.06467	2.3
133.10117	11.1
135.08078	1.3
135.11682	11.5
136.12044	1.4
137.09608	2.7
137.13268	1.3
142.07739	1.2
145.10107	7.4
147.07962	2.1
147.11670	12.8
149.02342	1.6
149.09584	4.3
149.13234	4.4
151.11214	1.5
157.10081	7.8
159.11690	3.7
163.11168	3.9
165.12756	2.5
171.11667	1.4
173.13281	2.5
175.11142	8.0
187.14609	1.3
193.04984	1.0
193.12228	25.6
204.01070	1.1
205.19746	1.0
210.04761	0.9
211.13249	31.6
215.17900	6.7
227.12752	4.0
228.13145	1.0
233.19019	8.3
234.19237	1.0
256.32501	1.1
262.60895	1.0
267.15988	7.6
272.11832	1.1
277.21399	1.8
283.15268	2.0
284.15784	2.9
285.16977	37.4
293.20999	2.3
307.22638	69.0
308.22946	4.5
312.32245	1.1
333.20435	1.3
367.24472	1.4
433.16571	1.0
499.34171	6.0
517.35181	100.0
518.35364	6.8
643.78699	1.0
645.13306	1.2
714.42450	8.9
715.43878	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	714.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01857	5.0
55.05504	20.1
57.03429	20.3
57.07059	2.6
61.02913	5.7
65.03922	4.6
67.05498	78.6
69.03414	4.8
69.07065	16.8
71.04970	4.8
71.08598	1.6
75.03498	1.8
77.03896	2.0
79.05037	3.2
79.05482	54.7
81.03041	1.9
81.03405	57.7
81.07043	61.9
83.04964	6.6
83.08608	10.2
85.02897	21.8
91.05467	100.0
92.05807	2.3
93.07031	73.7
95.04964	13.0
95.08594	57.0
95.09212	3.2
97.02876	6.7
97.06527	3.7
98.88646	1.5
99.08050	2.6
105.04487	2.9
105.07021	25.0
107.04937	3.7
107.08572	25.4
109.06504	5.6
109.10143	33.9
111.08052	5.0
114.23082	1.7
117.07007	10.7
119.08568	94.8
121.06483	7.9
121.10123	20.0
123.08035	4.1
123.11706	9.4
125.09637	2.4
129.06981	5.5
131.08521	12.7
133.10127	13.6
135.08064	2.6
135.11690	12.3
137.09595	46.9
145.10088	8.7
147.08028	7.2
147.11630	9.8
149.13200	9.2
151.11127	2.5
157.10144	4.6
159.11671	7.4
161.13251	5.3
163.11267	2.9
163.14813	2.9
165.09094	42.9
171.11653	2.8
173.13240	5.2
174.69069	1.8
175.11266	3.7
175.14883	2.6
177.12779	1.8
183.10150	15.6
187.14839	2.5
193.04803	2.1
193.12202	4.1
209.12943	2.5
210.83215	1.8
211.13289	4.8
215.17917	4.6
227.12704	2.1
231.24765	1.8
233.18910	4.1
239.12692	15.4
243.20975	4.7
253.14241	3.6
257.13800	71.7
259.20645	2.0
261.22086	13.5
267.15857	4.3
283.15393	3.5
285.16974	11.1
293.21069	2.1
307.22549	20.5
308.23077	2.9
335.25763	74.5
336.26187	2.5
351.26208	2.4
407.29437	4.6
425.30688	2.0
438.27444	2.0
499.34027	12.3
517.27478	3.6
517.35162	65.6
518.35303	5.9
714.42249	16.6
715.43433	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	714.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85426	1.8
53.03923	2.8
55.01845	6.2
55.05502	24.4
57.03434	17.5
57.07063	4.3
59.04987	3.0
61.02913	6.0
65.03930	1.8
65.50941	1.9
67.05495	51.2
67.05853	2.8
69.07064	22.6
69.29646	9.9
71.04964	3.0
73.02922	2.9
74.49387	1.8
79.05473	25.7
81.03409	8.3
81.07043	58.7
82.07380	2.4
83.01333	6.5
83.04972	10.3
83.08615	18.8
85.02885	7.4
91.03952	3.6
91.05457	27.6
93.07031	32.7
95.04973	10.1
95.08592	33.7
97.02874	3.2
97.06502	6.8
97.10142	5.5
99.08051	3.9
105.07014	17.8
107.04957	5.0
107.08575	15.8
109.06522	9.9
109.10126	13.6
111.07997	3.1
113.09633	2.9
117.07005	7.0
119.08566	12.5
121.10101	14.2
123.08048	7.6
123.11687	6.0
125.09637	2.6
130.07777	2.5
131.08505	5.7
133.10115	10.7
135.11705	15.5
136.08496	2.1
137.13229	2.3
139.11235	1.9
145.10077	10.2
147.11662	7.3
149.13176	3.1
153.12686	2.9
161.13242	3.2
163.11139	19.9
173.09549	3.1
181.12242	3.3
190.60980	2.0
209.11777	4.2
217.19485	9.0
227.12688	4.4
235.20477	9.5
283.15369	100.0
284.15753	4.9
307.22559	2.6
309.24158	89.3
310.24612	4.4
335.25977	2.2
367.24689	2.4
410.06714	2.1
517.35156	75.0
518.35193	3.9
599.49561	3.8
688.81506	2.3
698.02441	2.5
714.41681	9.8
715.45581	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	714.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77139	3.3
55.01866	3.7
55.05499	31.3
57.03436	17.4
61.02913	4.8
63.52980	3.7
65.03934	3.1
66.27560	3.6
67.05492	74.5
69.03411	4.8
69.07056	20.4
79.05481	57.2
79.05890	5.9
81.03435	5.7
81.07047	100.0
83.04969	10.2
83.08598	16.2
85.06563	5.2
91.05474	40.1
93.07035	51.8
95.04967	11.3
95.08589	60.0
96.08946	3.5
97.02892	5.1
97.06469	4.6
97.10127	8.2
97.95595	3.4
98.23463	12.2
99.08107	4.3
105.07010	50.2
107.08580	31.7
109.06602	3.2
109.10120	25.5
111.08082	3.4
117.07020	8.4
119.08545	35.6
121.10127	29.6
123.11704	6.0
125.09609	4.0
129.07021	7.6
131.08540	19.1
133.10091	23.9
135.08044	8.2
135.11655	19.1
137.64587	3.1
143.08568	7.6
145.10077	19.2
146.09219	3.4
147.11673	25.7
149.13249	9.7
157.10112	7.0
159.11685	10.1
161.13280	8.1
163.11174	5.7
163.14865	4.1
165.12717	13.1
171.11679	8.1
172.52579	3.9
173.13257	7.3
175.14781	4.3
181.04739	3.9
184.07347	5.2
185.13226	5.8
187.14723	5.0
197.13239	4.5
214.12715	3.5
239.16237	21.8
241.17986	7.6
257.17480	3.6
259.20718	4.1
261.22128	5.0
333.24063	4.1
335.25778	32.1
407.33231	6.1
412.12308	3.7
425.34094	15.1
472.02380	3.8
499.37982	27.9
511.22180	4.1
517.39099	50.8
518.39569	5.9
714.41248	19.0
715.41174	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
54.49514	2.2
55.01868	9.8
55.05499	39.0
56.05846	2.4
56.30122	2.5
57.03433	9.8
57.07064	10.0
59.04972	2.8
60.34539	2.2
61.29933	2.2
67.05490	58.7
68.05837	3.1
69.03412	2.7
69.07046	24.7
69.11583	15.1
69.66505	2.2
70.06555	2.5
71.04984	5.6
71.08622	11.1
79.05478	51.8
80.05829	5.7
81.03407	18.6
81.06567	3.3
81.07043	66.3
82.07378	5.7
83.04974	13.3
83.08607	23.9
85.02899	4.4
85.06519	3.0
85.10171	15.9
86.09715	3.3
91.05463	38.0
92.05796	3.1
93.07018	47.0
93.90250	2.0
94.07398	3.4
95.04946	32.3
95.05411	2.7
95.08592	30.3
97.06548	8.0
97.10155	19.4
99.04410	2.9
99.08112	10.5
105.04491	2.3
105.07018	24.9
106.07397	3.1
107.04926	15.7
107.08570	28.3
109.06548	7.2
109.10117	18.8
110.10532	2.8
111.04449	8.2
111.08072	12.0
113.09637	12.5
117.07061	10.8
119.08555	22.1
120.08979	3.5
121.06518	5.5
121.10116	18.5
122.10466	2.4
123.08062	6.6
123.11668	4.8
125.09606	12.2
129.07019	4.0
131.08524	13.4
133.10069	13.3
135.08087	7.0
135.11612	15.1
137.09627	4.8
143.08521	2.4
145.10094	12.3
147.08105	2.7
147.11684	17.2
149.09605	12.0
149.13292	9.7
151.11169	9.1
152.84145	2.5
153.09108	5.6
156.09018	2.6
156.73375	2.3
157.10193	4.7
159.11749	7.2
163.11136	18.2
164.11575	3.1
165.09062	3.8
165.12717	25.2
175.11154	4.3
177.12737	5.0
181.12299	4.7
184.07373	8.5
187.11177	3.4
189.11302	9.9
193.12277	2.7
195.13927	4.0
205.12233	3.0
214.83566	3.0
215.17915	3.0
223.13358	4.6
227.12733	13.8
233.18925	3.5
241.19550	3.1
253.14429	2.9
257.13846	4.0
267.15933	6.6
269.17542	3.0
275.20013	22.3
276.20511	4.1
277.21579	24.1
283.15524	9.0
285.16809	7.5
293.21005	53.3
294.21533	6.4
295.22607	48.2
307.22629	20.9
308.23093	8.2
335.25882	6.1
349.23767	6.5
351.25217	16.6
367.24695	29.3
368.25232	2.8
369.26285	17.7
385.25790	6.1
408.24234	3.1
439.26968	3.8
517.34827	20.1
521.34772	4.9
561.37842	10.0
643.45239	14.6
661.46912	11.7
679.47711	5.2
709.14111	3.6
714.42535	100.0
715.43549	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	715.3293
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
55.05505	0.8
62.20220	0.5
63.43137	0.5
67.05496	1.1
72.84278	0.5
79.05489	1.0
81.07050	1.4
83.08594	0.5
83.88478	0.6
84.40556	0.5
91.05475	0.9
95.08601	0.7
98.23429	1.5
98.97570	1.1
107.08616	0.7
109.06528	1.3
116.98569	0.6
119.08546	0.6
127.48486	0.5
138.13701	0.6
145.10135	0.6
158.99661	0.8
177.05449	0.8
189.00743	0.8
223.19124	0.6
229.14401	0.8
291.19751	0.8
293.05560	0.6
293.96350	0.7
321.04831	1.4
550.69403	0.6
715.32898	100.0
716.33337	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	715.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01859	0.7
55.05502	2.1
57.03436	2.2
61.02923	4.2
67.05494	6.2
69.03428	2.5
69.07047	2.0
69.22677	2.1
71.04984	0.5
72.85947	0.4
73.02904	3.5
74.82285	0.4
79.05480	6.4
80.05809	0.4
81.03425	1.8
81.07036	6.2
83.04958	0.9
83.08604	0.6
85.02898	4.3
91.03940	2.5
91.05474	3.4
91.45937	0.4
93.07037	6.0
94.07345	0.7
95.04958	1.4
95.08598	3.6
97.02878	4.1
97.06498	0.6
98.23425	0.7
99.04420	0.9
101.02343	1.6
103.03891	0.5
105.07028	3.1
106.06573	0.4
107.08588	1.9
109.02849	0.4
109.06495	0.4
109.10128	1.7
110.82037	0.4
117.07023	0.8
119.08585	1.8
121.10132	2.6
123.08035	0.5
123.11703	0.6
123.88532	0.4
127.03905	1.6
131.08575	1.2
133.10121	1.0
135.11635	0.5
145.10091	1.3
147.11688	1.4
159.11717	0.8
171.11647	0.4
173.13188	0.6
178.91415	0.4
185.04108	0.6
211.46069	0.4
243.08388	1.4
247.13106	0.8
257.60001	0.4
307.22498	0.5
333.20419	0.4
335.21896	1.4
335.25479	0.9
336.26074	0.5
373.21417	0.5
391.24554	1.0
465.20880	2.9
491.26016	7.2
500.38120	0.7
518.38953	1.5
543.07959	0.4
715.40332	100.0
716.40637	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	715.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
53.70052	0.2
55.01867	0.8
55.05503	2.1
56.67931	0.2
57.03430	0.7
65.03922	0.2
67.05497	2.9
69.03424	0.2
69.07056	1.5
71.04980	0.6
79.05486	2.7
81.03420	0.8
81.07052	2.9
83.04986	1.3
83.08624	1.3
85.02901	0.4
85.06563	0.3
91.05484	1.7
93.07029	2.5
95.04954	1.7
95.08594	1.4
97.06544	0.2
97.10149	0.7
98.22619	0.4
99.04429	0.4
105.03284	0.2
105.04524	0.3
105.07018	1.2
107.08603	1.9
109.10168	0.7
111.04444	0.9
111.08065	0.6
117.07027	0.5
119.08585	0.9
121.10147	1.0
123.08093	0.7
125.09636	0.6
127.63368	0.2
131.08540	0.4
133.10121	1.0
135.08040	0.3
135.11687	0.6
137.09608	0.3
143.08601	0.3
145.10130	0.6
147.11639	0.3
149.09624	0.7
149.13277	0.2
159.11726	0.4
163.11171	0.8
169.10231	0.2
173.13295	0.2
189.11169	0.3
211.13455	0.3
219.17888	0.2
223.13197	0.3
275.20032	0.3
285.17078	0.4
308.22958	0.3
322.10922	0.4
333.20309	3.6
338.14020	0.3
349.19806	5.9
349.23959	0.3
353.16214	0.3
354.13397	0.5
368.14920	2.1
389.22858	2.9
389.26807	0.3
405.22446	3.8
475.16275	0.3
488.17059	0.5
489.28790	0.3
518.35529	0.7
523.75671	0.3
668.19720	0.3
683.22168	0.6
684.21716	0.3
715.43805	100.0
716.44165	6.9
722.84796	0.2
738.70422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.6
57.03424	2.6
58.06591	1.0
61.44283	1.0
67.05489	5.5
69.07076	2.4
69.46597	1.0
69.54546	3.6
70.95553	0.9
77.71596	1.0
79.05466	6.8
81.03427	3.5
81.07033	5.8
83.04964	1.4
83.08594	1.6
84.36073	0.9
85.02911	1.0
91.05463	2.5
93.07047	4.9
95.04974	2.7
95.08626	2.2
97.10170	1.1
98.23366	2.0
105.03375	2.2
105.07032	2.8
107.08598	3.5
109.06547	1.2
109.10128	2.3
113.31190	1.0
119.08604	2.2
121.10164	2.1
123.08067	1.9
131.08536	1.6
133.10130	1.1
135.11700	1.2
147.11705	1.2
149.67134	1.1
151.03928	2.3
157.10104	1.6
158.34473	0.9
187.01988	1.0
193.12328	1.4
211.13329	1.4
212.13576	1.0
282.44324	0.9
285.17355	1.5
307.22678	3.8
308.23047	1.9
320.09290	1.9
333.20389	5.2
336.08749	1.7
349.19882	4.1
350.10458	2.4
351.11023	1.1
354.13208	1.4
366.13260	6.6
370.12875	1.5
384.14462	2.8
389.23108	3.5
405.22690	3.3
500.34561	2.1
501.17487	1.3
518.35443	5.1
531.17767	1.2
544.61810	1.2
546.19934	2.1
715.43774	100.0
716.43976	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	715.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94768	0.6
53.03920	0.6
55.01876	1.2
55.05513	3.2
57.03428	1.2
58.06579	0.7
61.94508	0.6
67.05497	6.5
69.07059	2.3
71.04991	0.8
73.56183	0.6
79.05475	3.5
81.03412	1.4
81.07040	5.0
82.58418	0.6
83.04996	1.3
83.08622	1.3
91.05490	2.5
92.05830	0.9
93.07042	4.1
94.07329	1.1
95.04955	2.1
95.08620	2.4
97.10170	0.7
105.07021	1.7
107.08612	3.2
109.06567	0.7
109.10158	1.9
117.07041	0.7
119.08585	2.6
121.10148	2.0
123.08117	0.8
125.09675	0.8
131.08568	1.1
133.10129	1.6
135.11668	1.3
137.09630	1.0
147.11739	0.8
149.09587	0.8
159.11646	0.8
184.07333	1.1
187.78198	0.6
193.12320	0.9
284.15451	0.8
284.80374	0.6
285.16925	1.0
299.21170	0.7
307.22696	1.2
308.23123	0.7
333.20267	7.3
349.19955	2.2
389.22882	2.7
405.22406	3.7
462.17548	0.6
476.98404	0.7
518.35553	2.4
519.36884	1.3
715.43713	100.0
716.44281	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	716.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03942	3.1
53.63786	0.8
54.89258	1.0
55.01870	2.9
55.05500	13.5
57.03429	14.7
57.07074	2.2
58.06590	1.0
58.24908	0.9
61.02911	5.9
62.06096	1.2
63.34644	1.0
65.03944	1.4
67.05492	52.3
69.03417	6.5
69.07059	11.0
71.04990	5.0
71.43779	1.1
73.02910	1.7
79.05479	61.9
81.03408	5.0
81.07043	44.3
83.04964	10.0
83.08608	6.5
85.02899	6.6
85.06528	3.5
87.04465	7.1
87.70464	0.9
91.05460	25.6
93.07029	66.4
94.07367	1.6
95.04959	8.9
95.08588	28.8
96.08947	1.0
97.02890	2.6
97.06513	4.7
97.10126	2.2
98.20573	0.9
99.04461	1.2
99.08087	3.9
101.06004	3.6
105.04552	2.0
105.07018	16.2
107.04945	3.6
107.08575	28.7
109.06506	4.0
109.10137	13.1
111.08102	1.7
111.11788	1.3
111.57508	1.0
113.05939	1.0
115.03934	1.8
117.07003	5.8
118.97350	1.0
119.08559	15.4
121.06512	1.6
121.10121	65.1
122.10463	1.4
123.08060	5.7
123.11670	5.8
125.09612	2.5
129.05499	1.1
129.06993	1.2
131.08543	30.1
133.06544	1.9
133.10117	9.9
135.08037	1.6
135.11668	13.1
136.54257	1.0
137.09610	2.2
139.11166	2.9
145.10124	5.6
147.11638	5.7
149.09586	19.1
149.13246	7.6
151.11183	2.2
159.08060	2.0
159.11708	5.3
161.13200	1.8
163.11215	1.6
167.10637	19.5
173.13272	4.5
177.09120	2.3
184.98819	1.0
185.11743	5.0
187.14922	1.7
191.17778	1.2
195.10257	4.9
205.19476	2.3
213.11198	2.4
215.17889	19.2
233.18941	22.5
241.14319	4.2
244.40091	1.1
251.12735	1.4
269.13800	4.3
287.14838	74.2
288.15314	2.0
289.21820	1.4
307.22614	100.0
308.23022	3.4
452.34839	1.1
483.31113	1.2
491.33170	1.2
519.33008	30.1
520.33258	2.6
531.63263	1.2
537.33954	3.9
568.43781	1.1
609.00342	1.1
716.43793	3.4
717.45630	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01866	4.2
55.05506	22.4
57.03429	8.7
57.07084	1.9
59.04984	3.0
61.02903	2.8
63.04075	1.8
65.03933	1.9
67.05497	93.7
69.03420	8.1
69.07059	22.6
71.04977	3.4
79.05483	20.0
81.03407	5.0
81.07043	24.5
83.04971	5.5
83.08604	13.0
85.02891	3.4
85.06525	3.1
90.19677	1.8
91.05459	17.8
92.95444	1.6
93.07050	15.8
95.04976	7.4
95.08604	10.3
95.68945	1.9
97.02905	9.0
97.06521	2.2
97.10122	10.1
97.15907	1.8
99.36363	1.8
105.07033	12.4
107.04941	5.1
107.08579	11.2
109.06508	3.5
109.10143	62.8
111.08059	4.8
112.17215	1.7
117.07019	7.1
119.08579	13.4
121.06509	2.7
121.10155	4.6
123.08067	2.6
125.09618	3.6
130.07835	2.0
131.08554	7.3
133.06424	2.6
133.10110	4.7
135.08015	3.0
137.09633	3.5
145.10138	3.5
147.08038	3.4
147.11650	2.9
147.48500	2.1
149.09583	3.1
155.10748	1.8
157.10149	2.3
159.11699	2.7
163.11134	2.3
165.08995	1.7
173.11697	21.1
175.11244	2.3
178.02892	2.2
223.13249	14.5
227.12758	5.1
229.14320	72.8
230.14746	2.0
245.19012	1.9
248.56485	2.1
249.14890	3.4
253.14285	3.8
273.18375	9.5
291.19507	90.4
347.22122	3.0
365.23233	38.3
396.24948	2.1
421.25867	2.3
439.26523	2.7
501.32291	3.0
519.33124	100.0
520.33276	4.7
532.65680	1.8
716.43951	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	716.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.8
53.03930	2.7
55.01872	1.6
55.05506	15.8
55.97443	0.9
57.03426	8.5
57.07082	1.0
57.55148	0.7
59.04987	2.4
61.02921	3.8
65.03934	3.2
66.19024	0.6
67.05495	100.0
68.05825	1.6
69.03431	2.1
69.07062	10.7
71.04985	23.3
72.30158	0.7
73.02920	0.9
77.03914	1.5
79.05482	52.6
80.05814	1.1
81.03416	3.1
81.07045	41.1
83.04964	3.4
83.08612	8.8
85.02892	4.0
85.06541	4.5
91.03948	1.6
91.05024	0.4
91.05469	29.5
93.07031	60.5
95.04940	7.5
95.08595	25.5
97.02888	2.6
97.06538	4.9
97.10159	1.4
99.08087	3.5
105.04520	2.6
105.07017	11.7
107.04972	1.9
107.08575	18.3
107.09245	1.3
109.06545	2.5
109.10141	63.9
110.10509	1.5
111.08066	2.9
117.06987	5.3
118.86564	0.8
119.08566	17.7
121.10128	29.9
122.10522	0.8
123.08052	1.0
123.11722	2.8
125.09621	1.2
129.06999	0.8
131.08540	7.8
133.10112	9.1
135.08102	1.2
135.11679	14.9
135.12631	1.1
136.12033	0.9
137.09573	9.5
139.11186	1.4
143.08597	1.4
145.10114	9.3
147.11668	4.4
149.13242	2.6
151.11201	1.4
155.10678	3.0
157.10152	1.2
159.11659	4.2
163.11139	3.6
165.12772	0.8
169.10080	0.9
169.12245	1.8
171.11716	1.4
173.11757	8.8
173.13264	3.6
181.12259	1.2
187.14816	1.4
188.08040	0.8
197.13390	1.0
201.16490	0.7
213.14806	1.6
215.17909	4.3
229.14471	2.2
231.17574	1.3
233.19040	2.5
243.15956	2.3
255.15927	4.1
259.15347	1.7
263.57269	0.8
276.89700	1.1
287.18491	18.3
307.22626	30.5
308.22940	1.1
333.20291	1.0
334.20584	1.0
335.25864	2.3
351.26819	1.4
390.23230	0.7
443.31604	2.1
461.32550	93.1
462.32834	5.7
469.33466	1.1
475.33957	3.9
487.34085	11.3
509.85773	0.8
519.36737	82.2
520.37189	4.5
535.54541	0.9
716.44019	29.2
717.45923	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	716.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75121	2.9
55.05494	4.4
57.07072	38.6
63.31218	2.7
69.07050	7.1
71.08620	31.9
73.06540	9.7
77.21014	2.8
81.07050	3.8
83.08614	4.2
85.10195	20.7
86.07208	2.6
87.03964	2.8
87.04466	11.6
89.06018	100.0
95.08598	4.4
97.10170	4.2
99.55256	3.5
107.07062	3.0
111.11662	3.6
111.65746	3.0
117.09083	6.1
124.32955	2.8
131.07077	3.5
133.08591	42.5
156.22647	3.1
177.11200	15.0
229.86629	3.1
285.27911	6.4
326.62610	3.4
333.89270	3.0
374.56653	2.9
396.68747	2.9
650.17218	3.0
717.39392	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60472	0.6
71.20913	0.8
81.07046	1.0
86.09694	6.8
88.51304	0.6
88.52919	0.6
91.05462	0.8
93.07065	1.0
95.08633	0.6
105.07057	0.7
107.08559	0.6
172.62674	0.6
278.08234	0.6
280.09576	0.7
281.08221	1.1
283.09543	1.5
292.09692	0.6
294.11337	1.1
296.12961	2.0
297.04868	2.1
297.07779	0.9
312.06995	0.9
315.05856	0.7
320.09344	1.1
322.10751	1.4
326.20731	1.6
327.12149	3.6
336.08713	1.3
340.11386	0.5
340.15369	13.3
340.19159	0.8
348.09311	1.1
350.10229	1.5
358.04086	0.8
374.07254	4.4
384.14594	2.6
385.15234	0.8
388.08737	1.6
439.29306	0.7
520.10919	1.0
538.12091	2.2
546.59772	0.6
555.15875	0.7
567.14752	2.8
570.14990	0.6
571.14929	0.7
581.13861	1.0
583.14966	1.5
593.13379	0.6
595.14435	0.9
597.15198	0.9
598.15900	0.7
599.15375	1.4
611.16528	0.8
613.17084	2.1
614.18744	0.8
615.20941	0.6
625.16443	0.8
626.17090	0.8
627.19849	0.6
629.19049	5.0
639.18036	1.0
641.19037	4.8
643.20813	2.3
644.21204	1.0
655.20386	1.0
656.19904	1.1
657.18536	5.4
659.23749	8.1
660.24091	0.7
671.21625	4.2
672.21234	2.3
673.25549	1.2
687.23254	20.4
688.23511	2.2
701.24548	3.9
702.25598	1.8
717.27924	100.0
718.28375	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	717.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60233	0.3
53.03912	0.8
55.01853	0.4
55.05494	2.5
55.64445	0.3
57.03436	2.1
61.02918	7.2
65.03903	0.6
67.05495	5.6
69.03423	4.1
69.07027	1.4
69.62691	1.1
69.90831	0.4
71.01308	0.7
71.04942	0.7
73.02910	5.0
79.05477	7.6
81.03397	2.7
81.07042	6.3
83.04931	0.7
83.08563	1.1
85.02404	0.4
85.02884	6.3
87.04398	0.6
90.76421	0.4
91.03944	4.0
91.04881	0.3
91.05455	2.9
91.18461	0.3
93.07027	6.9
95.04913	1.6
95.08596	4.2
95.09552	0.4
97.02360	0.5
97.02872	6.0
97.06496	0.4
97.10146	0.4
99.04398	1.2
99.43430	0.4
101.02369	2.0
103.03882	0.5
105.04426	0.4
105.07015	2.0
107.04918	0.5
107.08566	3.4
109.02783	1.3
109.10152	2.2
111.04353	0.4
115.03841	0.6
117.06922	0.8
119.08498	1.4
121.10124	3.0
123.08001	0.4
123.11581	0.4
125.09558	0.6
127.03888	2.1
131.08459	1.1
133.10057	1.1
135.11670	2.6
145.04855	0.5
145.10147	2.6
147.11667	0.4
159.11667	0.6
163.11142	2.7
185.04105	0.6
227.12787	2.1
243.08333	3.1
249.10925	14.0
305.13290	1.3
307.22458	1.5
335.21698	1.2
349.19574	1.3
391.23828	0.5
405.22308	0.6
467.18753	5.4
491.26141	10.9
492.26105	0.8
555.32263	0.6
716.43176	0.6
717.36975	100.0
718.37390	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	717.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01844	0.8
55.05500	2.1
57.03430	3.2
57.07051	0.3
58.56875	0.3
59.40467	0.2
60.46817	0.3
61.02633	0.5
61.02917	6.6
63.31751	0.3
65.03907	0.4
67.05163	0.4
67.05495	5.9
69.03122	0.3
69.03423	3.5
69.07039	1.0
69.55420	0.8
71.01337	0.4
71.04975	0.7
73.02904	4.2
79.05043	0.5
79.05479	7.2
81.03404	2.5
81.07044	5.6
83.01329	0.4
83.04956	1.1
83.08609	1.2
85.02402	0.5
85.02888	6.9
90.63294	0.3
91.03941	4.3
91.05462	3.1
93.07030	6.4
95.04976	1.5
95.08585	3.2
97.02880	5.6
97.10107	0.4
98.22742	0.6
99.04444	1.3
99.08103	0.4
101.02358	2.5
103.03893	0.4
105.04480	0.4
105.06994	1.8
107.04906	0.6
107.08578	1.6
109.02834	0.9
109.06494	0.7
109.10125	1.5
111.08034	0.3
117.06987	0.7
119.08565	1.5
121.10145	2.4
123.08012	0.3
123.11641	0.3
125.06041	0.3
125.09592	0.3
126.95697	0.3
127.03913	1.7
129.05464	0.4
131.08525	0.9
133.10092	1.2
135.11659	1.4
137.09552	0.3
145.04927	0.4
145.10091	1.2
147.11685	0.6
147.12700	0.3
149.09497	0.4
149.13235	0.4
159.11696	0.5
163.11150	1.1
173.13268	0.3
181.12157	0.3
185.04176	0.6
211.13351	0.6
227.04753	0.3
234.48924	0.3
243.08405	1.6
249.10999	0.4
267.81027	0.3
285.16791	0.5
307.22556	0.9
310.24622	0.6
349.19571	0.5
467.18878	3.7
469.28049	0.4
491.26096	9.2
492.26276	0.5
520.36633	1.0
537.50336	0.3
582.96570	0.3
645.95935	0.4
717.37494	100.0
718.38080	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	717.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26550	0.6
53.03931	0.8
55.05504	2.0
57.03426	2.2
57.07050	0.5
61.02918	7.5
62.74487	0.6
65.66435	0.7
67.05494	7.1
69.03419	4.4
69.07066	2.3
69.39040	2.7
71.01355	0.8
71.04987	1.2
73.02909	5.7
74.61365	0.5
79.05487	4.8
81.03416	1.9
81.07048	5.2
83.04986	1.7
83.08636	1.3
85.02905	6.4
91.03941	4.3
91.05480	1.9
93.07035	6.6
95.04967	1.4
95.08598	5.8
97.02893	5.6
97.06483	0.8
97.10120	0.6
98.23423	1.3
99.04449	0.8
101.02373	2.1
105.07012	1.3
107.08577	3.6
109.02906	0.7
109.10148	1.0
111.08093	0.6
119.08568	1.2
121.10161	1.8
127.03931	2.0
131.08522	1.0
133.10170	0.6
135.11664	2.7
145.10117	0.9
153.12802	0.5
165.58185	0.6
181.12349	0.9
221.11540	2.1
243.08482	2.3
311.25858	0.7
394.85095	0.6
439.19424	5.2
496.75198	0.6
519.29333	8.3
520.37225	0.9
527.43866	0.6
555.35767	0.6
717.41687	100.0
718.41998	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	717.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17283	0.4
55.01865	0.5
55.05497	2.4
57.03434	0.8
58.06626	0.5
67.05495	4.3
69.03409	0.5
69.07066	1.4
71.04984	0.5
71.08623	0.6
73.02927	0.4
73.43584	0.4
79.05481	3.7
81.03412	0.8
81.07030	3.5
83.04981	1.0
83.08624	1.7
85.02920	0.6
91.05491	1.7
93.07049	3.2
95.04947	2.2
95.08631	1.6
95.19553	0.4
97.02887	0.5
97.10184	1.2
99.04446	0.5
105.07034	1.1
107.04959	0.7
107.08618	1.7
109.06544	0.6
109.10181	1.0
111.04487	0.9
111.08067	0.7
117.07055	0.8
119.08601	1.4
121.10168	1.8
125.09637	1.0
131.08530	0.7
133.10130	0.8
134.41298	0.4
135.08032	0.5
135.11694	0.9
145.10135	0.8
147.11810	0.5
149.09598	0.6
154.20882	0.5
159.11737	0.6
163.81319	0.4
177.29391	0.5
228.79161	0.5
270.51019	0.5
275.24722	0.4
333.20319	3.0
351.21429	5.7
351.25308	0.6
389.23056	2.7
407.24060	3.9
434.60529	0.4
491.26501	0.6
644.04034	0.5
717.45648	100.0
718.46106	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	717.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33677	0.4
50.62684	0.3
53.87516	0.4
55.05509	2.0
57.03422	0.9
61.02909	0.9
62.80276	0.4
67.05495	3.6
69.03412	0.8
69.07055	1.2
71.04978	0.6
73.02898	0.5
79.05478	2.3
81.03381	0.8
81.07052	3.6
83.04975	0.6
83.08611	1.0
85.02884	1.2
85.10177	0.7
91.05482	1.9
93.07030	3.0
95.04946	1.1
95.08585	1.7
97.02876	0.9
97.06535	0.6
97.10139	1.0
105.06999	1.2
107.08554	1.2
109.06493	0.5
109.10133	1.8
113.09618	0.5
117.06966	0.8
119.08547	1.6
121.10123	1.1
123.08061	0.7
125.09591	0.9
131.08537	0.8
133.10063	0.7
135.11684	0.7
145.10020	0.5
145.52306	0.5
149.09602	0.7
157.19487	0.4
207.13559	0.5
212.77498	0.5
249.10922	0.8
321.34348	0.5
335.21985	3.0
349.19800	4.9
391.24435	1.7
405.22333	4.3
406.22952	0.5
445.64307	0.4
462.32095	0.5
491.26276	1.2
717.45819	100.0
718.46484	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	717.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
55.05242	0.6
55.05491	4.0
57.03415	1.5
61.02906	1.7
66.33272	0.7
67.05494	7.9
67.44514	0.6
68.05816	0.8
69.03400	1.2
69.07050	3.0
69.32460	1.9
69.32852	1.4
71.04982	1.1
72.11600	0.6
73.02905	1.1
79.05478	5.6
81.03382	1.5
81.07042	7.2
83.04966	1.4
83.08601	2.2
85.02875	1.6
91.03954	1.1
91.05472	4.3
93.07046	5.2
95.04935	1.6
95.08592	3.2
97.02876	1.6
97.10135	0.9
98.03814	0.7
98.22691	1.5
99.08099	1.5
102.11224	0.7
105.07011	3.1
107.04943	0.7
107.08555	2.3
109.06517	0.8
109.10156	3.3
111.08073	1.7
117.06996	0.9
119.08586	1.2
121.10151	1.6
123.11642	0.7
125.09563	1.6
131.08543	0.9
133.10081	1.3
135.11627	1.8
140.26572	0.7
147.11694	1.3
157.07706	0.7
163.11136	1.8
173.13231	1.0
199.58757	0.9
208.66002	0.6
240.34438	0.7
243.08481	0.8
307.22629	1.2
333.20233	3.2
335.21759	2.3
335.25589	0.9
349.19803	2.5
351.21521	2.0
389.22729	1.1
391.24313	2.1
405.22391	1.5
407.24020	2.1
415.64304	0.8
462.32880	1.8
491.26025	1.5
520.37061	2.7
524.02020	0.7
555.35248	1.2
584.99451	0.9
613.26440	0.8
698.78259	0.8
717.46368	100.0
718.46991	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	717.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31146	1.2
54.05344	1.3
55.05497	2.7
57.03429	1.6
61.02909	1.5
67.05502	10.4
69.35175	4.6
69.35584	3.0
71.04977	1.4
79.05472	7.1
81.03433	1.7
81.07035	6.4
83.08622	1.7
85.02910	1.2
91.05463	4.7
93.07044	5.6
95.08605	3.1
97.10143	1.6
98.22725	2.2
105.07028	3.7
107.08582	3.6
109.00311	1.2
109.10159	2.4
111.04430	1.3
117.07047	2.0
119.08553	3.9
121.10122	2.7
130.33206	1.3
131.08470	1.2
133.10121	1.4
135.11781	1.5
139.11568	1.2
184.07327	1.9
335.21744	3.8
349.19980	2.1
352.27020	1.4
405.22443	3.4
462.32880	5.3
491.26840	1.6
520.36774	5.8
602.84204	1.4
717.45905	100.0
718.46588	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	717.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05506	2.8
57.03427	1.5
57.07063	0.9
61.02919	1.0
66.57819	0.7
67.05497	8.9
69.07070	2.8
71.04974	1.1
72.12313	0.7
79.05489	4.8
81.03399	1.0
81.07054	5.3
83.04969	1.1
83.08630	2.3
85.02898	1.5
85.10175	0.8
91.03937	0.8
91.05488	3.7
93.07042	6.6
95.04953	2.6
95.08592	2.9
97.10180	0.8
105.07015	2.5
107.08607	2.3
109.06520	1.2
109.10153	4.4
117.07062	1.2
119.08557	2.1
121.10139	2.4
123.08073	1.2
125.09686	0.8
133.10165	0.8
135.11688	1.4
137.09595	0.8
147.11627	1.0
277.48456	0.8
335.21884	9.0
349.19968	4.2
391.24658	3.4
405.22424	3.4
461.32565	1.7
462.32819	3.8
519.36896	1.0
520.37183	3.7
569.85571	0.8
652.72614	0.7
717.45752	100.0
718.46710	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	718.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.03433	1.2
65.03923	1.1
69.03410	2.2
71.04999	1.1
79.05502	1.1
81.03395	1.1
81.07025	1.6
83.04955	1.0
85.02888	5.2
91.05464	2.8
93.03403	0.9
94.04182	2.3
95.04942	2.5
97.02897	3.5
97.06566	0.7
103.05454	3.9
105.07023	0.9
107.04935	1.3
107.08585	1.3
108.95357	0.7
109.06507	2.6
109.10145	0.7
111.04440	2.1
115.03896	1.1
115.05444	2.3
117.06990	1.4
118.07387	0.8
119.04912	1.6
119.08579	1.1
121.10143	2.4
122.03626	5.0
125.05984	2.2
127.03910	1.2
128.06201	3.0
129.06981	14.6
131.04910	12.4
131.08557	1.3
133.04930	1.1
133.10132	0.9
137.05960	100.0
143.04919	3.1
143.08554	0.9
144.05617	1.5
145.04959	1.7
145.06448	1.6
147.04343	1.6
147.08022	0.9
147.11742	0.8
149.05952	1.1
151.07513	3.2
151.11241	1.0
153.05438	5.9
157.06467	15.0
158.07153	0.8
160.05199	5.4
161.05980	3.0
163.07512	6.4
167.14290	1.5
172.05173	3.1
173.13251	1.3
174.06743	6.7
175.07524	31.9
176.08022	1.3
177.09169	1.0
179.07027	1.8
185.05910	1.1
187.07513	43.6
188.07874	1.4
189.09076	28.2
191.14291	1.0
199.07477	1.6
203.08609	3.6
205.08548	6.5
207.10115	2.8
209.15318	10.7
211.07484	1.1
217.08542	12.4
219.08006	4.5
219.10149	3.1
220.08817	1.1
227.07021	1.0
227.16458	0.9
231.08022	4.7
232.08568	0.8
239.06963	1.1
247.07523	4.9
248.08284	4.3
251.10645	3.3
255.06464	1.3
259.07413	1.6
261.09122	1.1
263.10666	3.9
264.07767	1.2
265.08578	1.1
270.08850	4.8
271.09537	4.0
276.07748	2.4
277.08667	1.1
279.10153	7.2
280.10742	1.5
281.08170	1.9
283.09683	2.3
291.07181	1.1
291.10156	11.2
292.10669	1.1
293.08102	1.5
296.10400	2.1
297.11066	1.0
308.10419	1.0
311.12717	23.2
312.13202	1.1
323.12747	19.5
329.13757	5.5
341.13788	44.2
342.13968	1.4
359.14874	2.0
503.18961	1.1
512.21021	0.8
534.60852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02358	1.3
52.40884	0.5
53.03941	2.5
55.01849	0.6
56.05027	1.2
58.06594	12.2
67.05494	1.1
69.03413	1.1
69.07087	0.7
70.57125	0.8
76.05690	0.6
77.03915	2.3
79.05473	1.4
81.03397	1.0
81.07034	1.1
82.06586	0.6
84.08092	0.8
85.02900	1.5
88.07611	0.9
91.05466	2.4
94.06576	0.6
95.04953	14.8
95.05523	1.0
96.08109	0.6
97.02909	0.6
97.10137	0.5
103.73914	0.6
105.03382	87.5
105.04398	5.7
105.06992	1.2
106.03724	1.7
107.04943	0.8
107.08607	0.6
108.08112	1.9
108.34222	0.5
109.06544	0.8
110.09686	1.2
111.04440	0.7
112.07511	0.5
115.05453	1.4
117.06996	1.2
119.04959	0.8
119.08601	0.7
121.02934	0.6
121.06483	1.1
121.08895	0.9
122.09630	3.2
123.04395	0.6
128.06181	1.4
129.06964	3.1
131.08533	0.7
133.02843	0.8
133.06453	0.8
137.05989	1.1
138.09140	0.9
141.06982	1.5
143.08543	0.6
144.05653	0.6
145.06444	1.5
146.09612	0.9
147.04425	1.1
147.07935	0.7
149.05974	0.5
153.06990	1.0
155.08443	1.2
157.06433	0.8
158.09668	1.9
159.08072	0.9
160.07497	0.8
160.11217	2.1
161.06056	0.9
162.09135	0.9
165.06952	1.1
166.07657	0.5
167.07085	0.8
167.08476	1.1
171.08191	1.0
173.05946	0.6
174.09186	2.6
174.12724	0.5
176.10692	0.8
177.05441	1.2
178.07782	2.3
179.08568	2.2
180.10187	2.2
181.06528	0.9
181.10141	1.1
183.01070	1.2
184.11234	1.2
188.07109	0.8
188.10669	0.6
189.07173	0.5
190.07785	0.9
191.08560	2.1
193.10149	1.5
195.08063	0.7
197.09685	1.0
202.07861	0.8
202.12297	0.8
203.08612	2.0
205.10152	1.7
206.07277	0.8
207.08044	3.2
209.09634	0.9
219.08075	1.5
220.08852	0.9
221.09689	2.0
225.09120	0.9
227.23613	0.9
231.08102	1.1
231.10158	0.6
232.08598	0.7
233.09750	1.1
234.06700	0.9
235.07561	1.5
235.11339	0.7
237.09236	1.0
239.10736	0.8
248.08324	0.9
249.09178	2.0
251.10703	0.8
253.08632	0.6
261.09042	0.7
262.12259	0.6
263.10690	1.1
264.13947	1.1
267.10248	1.0
277.08557	1.2
280.13422	0.7
292.13379	0.9
293.11752	0.9
324.15985	0.6
328.24756	0.5
352.15497	0.6
366.17010	0.7
384.18152	0.7
398.19614	1.6
416.20862	1.3
458.21948	0.8
488.20740	0.9
520.23291	1.8
538.24567	1.2
580.25586	2.9
598.26672	2.0
640.17865	0.7
640.27478	3.6
658.28601	12.6
718.30646	100.0
719.30902	7.9
719.42175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01862	1.3
55.05254	0.7
55.05501	9.7
57.03436	2.9
57.07063	1.5
59.04980	1.5
61.02921	2.2
65.03925	0.6
67.05497	2.7
69.03419	8.0
69.07056	3.2
70.76517	0.5
70.76857	0.5
71.01331	0.6
71.04984	2.2
73.02908	7.8
77.68452	0.5
79.05472	2.3
80.84024	0.4
81.03401	1.4
81.07042	4.7
83.04961	6.9
83.08610	8.3
85.02892	17.7
85.06525	1.8
87.04449	1.1
91.03948	0.6
91.05457	3.0
93.07027	8.2
94.07410	0.5
95.04953	18.1
95.08577	3.9
97.02877	10.7
97.06521	3.1
97.10151	1.4
99.04435	6.3
105.07016	4.5
106.27248	0.5
107.04936	0.7
107.08574	13.8
109.02850	2.0
109.06503	5.0
109.10139	7.6
111.04430	0.6
111.08057	2.9
113.06020	0.8
113.09628	0.7
115.03913	4.0
115.07514	3.0
119.08575	3.6
121.06507	0.7
121.10126	26.8
122.10457	0.6
123.08038	1.6
123.11667	2.6
125.09619	2.7
127.03893	5.8
127.07520	0.6
131.04910	0.7
131.08540	2.8
133.04947	5.5
133.10109	9.3
135.08029	2.2
135.11687	2.6
137.05954	2.4
139.11163	1.9
145.04939	7.9
145.10075	1.4
147.11623	3.0
149.09631	0.8
149.13251	3.4
150.13599	0.4
151.10013	0.9
151.11150	11.1
153.09079	8.4
157.10069	0.5
158.10890	1.0
161.09550	0.6
161.13216	0.6
163.05986	4.0
163.07379	0.8
163.14790	7.4
165.12758	0.8
167.07018	0.6
167.14294	14.9
169.12181	0.8
171.10127	0.9
173.13228	11.2
175.07532	1.1
175.14795	4.5
185.09514	0.5
186.74672	0.5
187.07614	0.7
191.14284	13.7
193.15851	0.5
209.15331	100.0
210.15579	2.0
223.05986	1.2
227.16368	11.9
233.15218	0.5
241.07004	1.6
251.16388	0.6
259.08075	4.6
263.16324	0.6
277.09036	1.3
287.16385	1.3
287.27515	0.4
295.10190	4.6
305.17407	1.9
323.18463	1.0
325.11075	1.2
341.13739	0.9
341.19461	1.7
353.19714	1.3
371.20584	2.0
705.93250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01854	3.2
55.05503	25.4
57.03432	11.0
57.07075	2.2
59.04986	4.5
61.02907	3.1
65.03933	2.5
67.05495	96.5
68.05812	2.1
69.03398	1.9
69.07052	9.5
71.04967	4.8
71.43192	1.6
73.02892	1.6
74.13922	1.3
79.05484	23.9
81.03384	3.7
81.07041	32.5
83.04955	4.5
83.08607	22.3
85.02888	3.7
85.06530	3.4
87.73494	1.3
91.05465	26.3
93.07028	22.8
93.28886	1.5
95.04951	12.1
95.08585	20.1
97.02862	3.1
97.06487	4.5
97.10134	3.8
99.08116	2.1
105.07015	19.9
107.04937	8.1
107.08566	13.2
109.06501	4.8
109.10139	76.5
111.08070	7.8
113.20371	1.4
117.06992	9.6
118.08878	1.3
119.08560	23.6
121.06488	4.8
121.10137	8.6
123.08087	3.6
123.11692	2.1
125.09631	3.2
129.06967	3.2
131.08545	11.8
133.10110	15.6
135.08022	3.7
135.11676	4.6
137.09586	7.4
141.06950	2.0
143.08517	1.7
145.10104	11.9
147.11674	9.3
149.02298	4.1
149.09592	13.5
151.11147	3.6
155.08560	3.0
155.10612	3.3
157.10031	1.7
159.11668	6.4
161.09581	1.9
161.13251	2.5
163.11147	14.2
165.12717	2.8
169.10049	1.6
171.11711	2.3
173.09566	2.5
173.10184	1.7
173.11737	21.2
173.13217	2.9
175.11049	2.3
177.12741	3.2
183.11678	2.3
189.12772	2.0
202.22757	1.7
223.13411	1.6
223.86938	1.3
227.12761	2.0
229.14304	100.0
229.19316	3.9
230.14603	3.7
239.17923	3.7
247.20534	1.5
248.43710	1.7
257.19022	8.4
264.65018	1.5
275.20029	53.8
276.20294	2.1
280.37460	1.5
293.20865	7.5
307.25131	1.3
349.23700	46.1
350.23972	3.0
367.24799	12.4
394.16821	1.4
412.36850	1.4
473.14136	1.7
503.33588	59.8
504.33533	4.2
521.34589	44.7
522.34564	4.4
718.33856	3.1
718.47363	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
53.74745	1.2
55.01868	6.4
55.05505	24.6
56.45853	1.3
57.03429	11.9
59.04992	3.6
61.02919	4.4
64.40965	1.2
65.03920	2.0
67.05493	100.0
69.03420	3.2
69.07063	11.8
70.06281	2.9
71.04981	4.6
72.86172	1.1
74.76133	1.3
79.05478	22.9
81.03413	5.3
81.07040	29.1
83.04964	6.7
83.08611	24.6
83.77901	1.0
85.02895	5.3
85.06516	3.1
91.05464	22.8
91.05978	1.9
93.07023	22.1
95.04951	46.5
95.08588	17.9
97.02878	1.9
97.06519	4.5
97.10162	6.9
99.04445	4.0
105.07011	20.1
107.04926	6.0
107.08580	21.8
107.09248	2.0
109.06506	4.7
109.10136	82.5
110.10445	1.7
111.04442	7.1
111.08076	8.0
117.07010	7.4
118.55423	1.1
119.08555	18.9
121.06508	3.6
121.10128	12.0
123.08052	4.4
123.11683	3.2
125.09631	7.6
129.07053	2.2
131.08540	10.1
132.31868	1.1
133.10100	10.8
135.08083	3.3
135.11656	8.8
137.09598	5.5
139.11188	1.4
141.06989	1.4
143.08548	1.3
145.10098	12.1
147.08047	2.5
147.11668	5.6
149.09592	18.1
149.13332	1.4
151.11143	2.8
153.12701	1.4
155.08553	1.5
155.10646	3.9
157.10149	2.6
159.08022	1.1
159.11652	7.4
161.09625	1.8
161.13310	1.7
163.11160	22.3
163.65956	1.1
165.12703	2.4
169.10188	1.8
171.11629	1.2
173.11736	22.5
173.13145	2.2
175.11186	2.6
177.12694	1.8
183.11691	1.7
187.11290	1.2
189.11168	7.8
193.12296	2.0
196.15466	1.2
199.82690	1.3
201.12715	1.1
205.12265	3.9
211.13286	2.1
222.50586	1.4
223.13231	22.5
227.12746	2.3
229.14297	100.0
230.14645	1.4
239.17935	1.9
255.64172	1.2
257.18875	5.5
275.20016	33.7
275.22903	2.2
276.20334	1.5
293.21024	26.2
309.23596	1.2
331.22507	1.4
349.23737	15.7
367.24738	33.0
423.27386	2.6
480.35559	1.2
495.17719	1.4
503.33578	21.8
521.34650	84.5
522.35046	5.6
539.35236	1.5
615.59619	1.3
665.39191	2.5
717.42108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01865	3.8
55.05503	17.2
57.03423	10.8
57.07062	2.0
59.04988	4.1
61.02916	4.3
65.03928	3.0
67.05495	99.7
69.03414	3.3
69.07056	14.7
69.69599	3.1
71.04984	5.6
79.05482	21.7
81.03420	2.3
81.07044	63.0
81.86926	0.9
83.04958	3.9
83.08612	15.3
85.02893	3.4
85.06530	4.0
91.03958	1.5
91.04929	2.0
91.05463	23.9
93.07027	18.5
95.04949	8.4
95.08021	1.2
95.08595	17.0
97.02855	2.9
97.06509	6.1
97.10148	1.9
98.22708	1.3
99.08069	1.8
105.04474	1.2
105.07007	18.1
107.04925	7.5
107.07900	1.6
107.08575	13.9
109.06497	14.2
109.10140	78.8
110.10455	2.3
111.04426	1.3
111.08087	4.8
117.07001	5.1
119.08573	20.8
121.06500	3.1
121.10147	8.4
123.08046	3.4
123.11650	4.8
125.09637	2.5
129.06990	1.3
131.08533	8.1
133.06450	1.6
133.10129	11.9
135.08022	3.6
135.11676	4.4
137.09598	5.9
137.13234	1.0
141.06961	1.1
143.08553	2.6
145.06407	1.0
145.10109	8.1
147.08009	1.5
147.11662	12.7
149.02312	3.8
149.09579	7.0
149.13237	3.9
155.08592	1.3
155.10608	6.0
157.10103	4.0
159.11687	4.7
161.13235	1.3
163.11177	6.3
163.14789	1.5
165.12709	4.6
169.10081	1.7
171.11624	1.7
173.11737	22.6
173.13217	3.0
175.11218	1.8
177.12709	2.0
193.05029	1.8
197.13226	1.6
201.12729	1.0
211.13150	1.5
223.76164	1.0
227.12708	1.7
229.14308	100.0
230.14639	2.8
257.18994	3.3
267.15829	1.7
275.20032	43.3
276.20438	1.7
293.20990	7.9
349.23694	28.3
350.24142	1.9
367.24698	17.2
368.24899	1.0
393.26572	1.2
403.09830	1.2
411.28766	1.3
413.18042	1.6
429.11679	1.3
439.26642	1.2
473.14270	2.3
485.32739	1.6
497.22742	1.1
503.33578	87.0
504.33987	6.8
521.34656	50.2
522.34772	4.3
718.37012	1.7
719.35938	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	718.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33406	1.9
53.03948	2.4
55.05515	11.6
57.07075	3.6
64.03680	2.1
67.05494	27.8
69.03426	9.3
69.07059	18.2
70.06583	3.5
71.04992	2.6
71.08640	2.2
79.05472	9.6
81.03393	4.1
81.07045	29.5
83.04990	2.8
83.08610	3.6
83.45139	2.0
85.02895	11.9
91.05460	18.0
93.07033	30.4
95.04970	11.3
95.08591	70.5
97.02888	6.8
97.06491	2.8
97.10149	2.9
99.04475	3.0
105.03382	31.7
105.04502	4.2
105.07017	33.8
106.03719	2.6
107.08583	37.5
109.02853	3.6
109.06517	4.8
109.10139	73.1
111.08047	4.9
117.07021	6.1
119.08564	43.8
121.02847	3.2
121.06493	4.1
121.10137	21.3
123.08023	4.9
123.11706	6.1
125.09601	2.5
127.03909	4.9
128.06241	2.6
129.06973	5.3
131.08566	20.3
133.06491	3.3
133.10081	18.5
135.08008	11.4
135.11681	13.7
137.05859	4.3
137.09589	6.4
137.13245	3.2
142.07727	2.3
143.08546	18.5
145.02823	3.8
145.10092	28.9
147.04456	3.6
147.07983	3.3
147.11650	17.9
149.05972	2.9
149.09598	4.7
149.13245	8.5
151.04018	1.9
151.07498	2.8
152.07074	2.4
155.08531	3.5
157.10115	14.7
159.08023	5.0
159.11703	16.6
161.09612	3.1
161.13217	9.8
163.11179	2.5
163.14766	4.1
167.07166	2.3
169.10139	8.5
171.11719	9.8
173.09689	2.8
173.13240	10.6
175.14861	5.1
177.05582	3.8
177.09079	3.0
180.06563	6.2
181.10138	4.2
183.11711	7.3
185.13284	11.3
187.14786	9.4
189.12758	3.1
189.16444	3.2
193.10184	2.3
195.11665	5.5
197.13170	5.5
199.14828	8.8
201.12698	2.5
201.16382	8.6
203.17957	2.2
206.04562	2.5
207.06599	2.7
207.11723	4.2
209.13185	6.8
211.14729	3.0
213.16447	3.9
215.17889	2.6
225.16304	2.8
227.17953	7.2
229.19473	3.4
237.16400	3.0
239.17905	4.9
241.19524	8.6
243.17386	2.6
243.21141	3.0
253.15926	2.5
253.19397	5.7
255.21048	7.6
257.22687	3.4
265.19434	2.3
267.21231	3.0
269.19070	2.6
283.20609	3.6
287.05502	2.6
295.09988	2.9
297.18570	3.1
305.22961	2.3
313.17834	2.2
315.19449	3.3
317.21066	4.6
327.19565	2.9
331.19006	3.8
335.22119	13.1
341.21429	2.4
345.20880	2.5
349.23856	4.7
361.28830	4.9
369.23990	3.2
379.29819	7.7
387.25479	2.7
389.28357	6.7
397.30978	8.7
407.29352	22.5
425.30411	81.0
426.30560	3.8
443.31546	100.0
444.31854	4.4
461.32303	3.6
485.32452	5.8
503.33597	9.7
521.34540	7.0
671.95490	2.4
718.24310	17.7
718.35748	3.4
719.26813	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	718.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.5
57.03427	12.8
57.07069	38.2
61.02917	8.6
67.05495	18.1
69.07047	9.2
71.08612	18.0
79.02691	4.1
79.05482	15.2
81.03410	8.0
81.07050	22.7
82.00218	3.7
83.01332	8.7
83.04967	10.9
83.08601	18.3
85.02891	5.9
85.10172	13.1
91.05435	9.8
92.63667	3.5
93.07032	17.7
95.04990	6.4
95.08589	27.7
105.06995	8.7
107.04964	5.9
107.08580	15.0
107.86419	4.4
109.06529	5.9
109.10144	9.3
117.07005	6.8
121.10075	6.2
123.08043	6.1
125.09650	4.6
135.11676	9.0
145.10133	10.7
163.11201	19.6
184.07404	7.0
189.82381	3.8
226.36823	4.1
257.24527	4.4
283.15350	100.0
313.27362	66.5
330.80621	4.8
354.34033	4.2
521.38324	45.9
522.37506	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	718.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.7
57.03419	1.9
57.07068	36.4
59.04983	1.4
61.02895	3.3
67.05504	4.7
69.03413	2.4
69.07065	1.9
71.08622	26.3
73.02899	2.6
73.06207	0.9
73.06545	10.3
79.05480	5.4
81.03394	1.5
81.07044	5.3
82.07341	0.7
83.04931	0.8
83.08589	3.2
85.02879	2.4
85.09689	1.6
85.10168	19.5
87.04454	11.2
89.06018	100.0
90.06300	1.0
91.03903	1.8
91.05437	3.0
91.07574	1.5
93.07026	4.8
95.04935	1.8
95.08576	3.6
96.40616	0.8
97.02857	2.6
97.10174	4.1
99.11703	3.6
105.06994	2.1
107.07018	3.0
107.08550	2.2
108.08912	0.9
109.06478	0.9
109.10086	1.4
111.11672	1.3
113.13239	1.3
114.28240	0.9
117.09103	8.0
118.97365	0.8
119.08521	1.3
119.44262	0.8
121.10104	2.0
130.08582	1.3
131.07001	2.4
133.08583	48.4
135.10071	1.7
155.17947	5.1
161.11697	2.9
166.36504	0.8
175.09674	1.3
177.09737	1.6
177.11194	20.2
180.58902	0.7
188.12585	0.8
199.20502	4.6
212.88087	1.1
221.13754	3.5
239.14587	1.0
243.23190	7.0
270.44333	0.8
271.15448	1.4
283.17542	1.0
287.25861	3.9
307.22641	0.9
327.19699	1.2
401.04391	0.9
467.18817	1.2
491.25830	2.2
492.26129	3.0
701.49451	3.1
718.37634	44.5
719.38251	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	719.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.7
55.05490	2.3
57.03421	3.3
57.96975	0.7
60.14648	0.7
61.02910	5.4
64.74522	0.7
67.05487	6.3
69.03410	2.9
69.07051	1.7
69.70287	2.4
69.70631	1.0
73.02906	3.9
79.05482	5.8
81.03409	3.3
81.07050	5.8
83.04981	1.1
83.08601	1.9
85.02895	6.3
89.06028	0.9
91.03953	2.7
91.05479	3.9
93.07024	4.8
95.04955	2.3
95.08588	2.5
97.02871	3.5
101.02348	1.1
105.07014	2.1
107.08557	2.0
109.10138	1.8
117.07115	0.7
119.08537	1.9
121.10125	2.4
127.03963	1.2
131.08572	1.0
133.10135	1.3
145.10172	1.2
149.09608	1.1
193.12273	1.1
205.75725	1.0
243.08244	1.3
251.12393	4.2
275.37369	0.8
469.20108	3.0
491.26056	7.0
504.33160	0.9
513.80054	1.0
718.46118	1.1
719.39197	100.0
720.39789	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	719.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01865	0.3
55.05505	1.4
57.03435	1.9
61.02920	5.4
67.05496	4.8
69.03421	3.3
69.07061	1.1
69.22942	0.4
69.23338	0.9
71.01341	0.3
71.04977	0.5
73.02908	3.9
73.03323	0.2
79.05481	5.0
81.03407	3.0
81.07050	3.6
83.04974	0.7
83.08614	0.9
85.02891	5.9
86.45737	0.2
87.04462	0.3
91.03933	3.2
91.04408	0.3
91.05471	2.6
91.29244	0.2
93.07031	4.4
95.04961	1.2
95.08598	2.4
97.02884	5.0
97.06532	0.3
98.23441	0.3
99.04453	0.9
99.08080	0.2
101.02351	1.9
103.03970	0.4
105.04530	0.3
105.07040	1.9
107.08578	1.0
109.02866	1.0
109.06534	0.3
109.10134	1.2
115.03886	0.4
116.47156	0.2
117.07014	0.6
119.08578	1.3
121.10126	1.8
123.11743	0.3
127.03903	1.5
129.06989	0.4
131.08536	1.4
133.10110	1.2
135.11678	0.5
145.10139	0.6
147.08002	0.2
147.11690	0.6
149.09665	0.4
149.13219	0.3
157.10191	0.6
159.11687	0.6
173.13376	0.3
175.11230	0.4
185.04149	0.5
187.14922	0.2
193.12309	0.5
212.44353	0.2
231.90982	0.2
243.08412	2.5
251.12622	0.6
274.93933	0.2
307.22656	0.8
374.50302	0.3
469.20306	3.1
491.26089	8.6
492.26212	0.5
719.39532	100.0
720.39862	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	719.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05508	2.0
57.03424	2.1
61.02915	6.4
62.82342	0.5
65.03909	0.6
67.05489	5.0
69.03426	3.0
69.07062	1.4
71.04984	1.4
73.02909	4.9
79.05467	3.6
81.03407	1.9
81.07040	8.4
83.04963	0.7
83.08604	1.0
85.02898	5.6
87.04457	0.6
91.03937	4.1
91.05445	2.8
93.07027	3.1
95.04962	0.9
95.08578	3.7
97.02881	5.2
98.22659	1.8
99.04446	0.9
101.02382	1.5
103.03932	0.5
105.07047	3.3
107.08601	1.6
109.02861	1.0
109.06579	0.5
109.10153	1.6
119.08589	2.1
121.10152	1.8
123.11692	0.8
127.03921	2.3
133.10121	0.9
145.10120	0.6
147.11705	2.5
161.97054	0.6
185.04204	0.6
193.94104	0.5
213.10300	0.5
226.45799	0.5
243.08414	1.9
335.25470	0.8
441.20938	7.0
464.21991	0.6
519.29108	5.7
532.07458	0.5
554.18719	0.6
683.44952	1.4
719.43250	100.0
720.43634	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	719.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08579	0.8
50.46450	0.8
53.35831	0.8
55.05510	2.1
56.18642	0.7
57.03432	0.9
57.07079	0.8
61.02921	5.3
67.05503	6.1
69.03428	3.7
69.07068	1.6
71.44099	0.8
73.02919	4.5
79.05488	4.1
81.03408	1.7
81.07048	6.3
83.08611	1.1
85.02897	5.4
90.13569	0.8
91.03962	3.0
91.05496	2.8
93.07048	3.4
95.08618	2.7
97.02879	4.4
98.63886	0.7
99.04546	0.9
101.02389	1.0
105.07047	2.2
107.08607	2.5
109.02914	1.1
109.10172	2.1
119.08569	2.3
121.10149	1.1
123.11629	0.9
127.03913	1.0
130.41199	1.0
134.74008	0.8
147.11642	1.2
159.20598	0.7
169.51526	1.0
180.45563	0.8
243.08336	2.1
335.25818	1.3
441.21051	3.7
519.29071	7.3
719.43298	100.0
720.43567	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	719.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00792	0.6
52.04992	0.6
55.01865	1.1
55.05497	2.6
57.03425	1.0
57.07072	5.6
57.14338	0.6
61.02916	0.7
64.00611	0.6
64.06257	0.6
67.05493	5.5
68.05819	0.6
69.03402	1.1
69.07059	2.9
71.08617	4.1
71.16770	0.8
73.02898	0.9
73.06553	0.9
79.05486	4.1
81.03405	1.0
81.07042	5.9
83.04958	1.6
83.08600	3.0
85.02887	1.2
85.10154	2.7
87.04455	1.2
89.06014	10.3
90.06301	0.7
91.05466	3.3
93.07041	4.5
95.04932	1.9
95.08589	2.8
97.02853	0.8
97.06525	0.9
97.10153	1.1
98.22617	1.3
105.07009	2.1
107.04926	1.5
107.08591	3.1
109.10144	2.6
111.04416	1.7
113.09618	0.8
117.07025	1.5
117.09070	0.7
119.08554	0.8
119.11018	0.7
121.10130	2.0
125.09630	1.6
131.08485	0.9
133.08562	4.9
133.10103	1.6
134.08972	1.0
135.11691	1.6
140.23198	0.8
145.10135	2.0
147.11656	0.9
151.46494	0.8
163.11205	2.1
173.09520	1.0
177.11176	1.2
181.12216	1.2
189.11086	0.7
191.10725	0.6
227.12743	1.2
265.14246	2.1
277.21866	0.7
283.15335	3.8
289.18182	0.7
295.22641	0.8
301.16415	2.2
313.27365	1.8
335.21957	3.8
351.21362	6.9
380.28741	0.8
391.24451	2.8
407.24036	5.4
521.38318	1.0
539.39294	1.3
703.56812	0.9
719.47369	100.0
720.47968	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.4
53.03932	2.1
54.41281	0.9
55.01854	2.7
57.03424	3.0
61.02893	1.0
65.03940	1.2
66.83480	0.8
69.03415	10.3
70.06567	0.9
71.04979	1.7
71.44872	1.0
73.02911	1.6
75.06954	1.1
77.03870	0.8
79.05479	4.9
81.03403	7.5
81.07001	0.9
85.02892	18.9
91.05468	13.1
93.07027	1.8
94.04171	1.3
95.04951	4.6
95.39543	0.9
97.02878	7.4
99.04446	2.8
103.03951	2.5
103.05451	16.6
105.07021	13.4
107.04938	26.8
107.08614	1.0
109.02872	3.5
109.06506	1.2
112.07558	1.6
115.03941	2.3
115.05446	5.5
117.07039	3.4
119.04919	12.9
121.06480	9.8
122.03622	4.4
127.03920	9.1
128.06209	2.3
129.07002	7.4
131.03415	1.3
131.04903	19.6
131.08585	1.4
133.02841	11.8
133.04953	1.3
133.06461	18.1
135.04361	3.4
135.08023	8.4
136.05193	1.4
137.05951	91.2
138.06291	2.4
140.06998	1.5
141.07039	1.2
143.04953	1.5
145.04991	5.0
145.06470	2.4
145.07558	1.8
146.03587	1.1
146.07248	2.7
147.04388	13.8
147.07994	2.0
148.05121	1.6
149.05957	19.3
150.06714	3.3
151.03915	1.9
151.07523	38.5
152.07924	1.2
157.06451	5.5
159.04393	2.5
159.08066	1.1
160.05165	2.0
161.05949	89.0
161.09567	17.2
162.06621	3.8
163.07516	59.9
164.07990	1.4
165.05450	2.1
165.09105	7.4
167.07033	5.0
167.08437	1.4
169.06450	1.6
169.10281	0.9
174.06789	4.0
175.07510	13.8
177.05437	4.9
177.09071	4.9
178.07822	1.1
179.07002	20.8
179.08409	1.3
179.10643	1.3
181.08554	14.6
183.10159	2.5
186.06648	1.3
187.07516	3.5
189.09071	50.3
190.09334	1.2
191.06985	9.9
193.06445	1.1
193.08525	2.2
193.10136	1.5
195.08060	4.1
195.10010	1.8
197.05933	2.8
199.07536	1.6
201.09090	2.7
203.06966	5.6
203.10689	1.1
205.08527	2.1
207.10127	100.0
208.10536	2.3
210.06746	0.8
213.09050	1.5
215.06976	3.4
217.08626	3.0
219.09996	5.1
221.05974	2.4
221.09569	2.5
223.07535	2.0
225.09256	1.5
225.11226	4.7
227.07161	1.7
227.10696	5.9
229.08582	3.4
231.10056	1.7
233.08121	2.3
235.07455	1.1
237.09033	1.2
237.11304	1.1
241.08582	1.3
245.08101	2.2
245.11656	1.1
249.08990	2.0
249.11317	3.2
253.08589	2.9
253.12234	3.0
255.10101	5.7
257.08041	2.4
261.11145	1.3
265.08524	2.1
267.10089	2.3
269.08020	1.7
273.11136	7.1
275.09161	2.1
275.12820	1.6
281.11679	2.1
285.11157	6.2
287.12677	11.0
291.12204	11.4
293.09973	5.3
297.11130	3.2
299.12711	2.8
305.10132	1.3
309.13419	4.2
311.10843	6.3
313.14282	14.9
323.11221	3.4
325.14230	1.6
331.15329	62.6
332.15750	2.0
343.15326	11.9
351.83401	1.0
457.18381	1.3
469.18417	1.4
544.16180	0.9
715.12201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25336	1.5
55.01863	3.1
57.03431	2.2
60.10676	1.2
69.03416	11.9
70.06588	10.5
71.12466	1.6
71.44327	2.0
73.02923	1.6
79.05473	2.5
81.03418	5.4
85.02895	21.1
91.05462	13.1
91.15163	1.6
94.04163	1.7
95.04976	3.8
97.02891	10.0
99.04419	2.2
103.05453	21.8
105.07011	12.4
107.04936	13.3
109.02859	2.9
109.06532	1.7
112.07590	6.3
115.03947	1.7
115.05447	2.2
119.04915	9.5
119.47241	1.4
121.06496	5.9
122.03674	5.0
127.03891	9.7
129.07005	5.5
130.56133	1.5
131.04910	33.5
131.08583	2.0
133.02861	4.2
133.06451	17.3
135.08018	5.5
137.05960	100.0
138.06290	2.3
140.07069	3.2
145.04938	7.9
147.04388	11.7
147.08022	1.6
148.05156	1.8
149.05984	12.6
151.03926	2.1
151.07520	33.5
157.06456	3.6
159.08067	2.1
161.05948	51.9
161.09584	11.5
162.06676	3.7
163.07516	72.8
165.09090	9.5
174.06654	2.4
175.07536	14.0
177.05472	9.0
177.09081	17.2
179.06999	14.6
179.10562	2.1
181.08545	7.5
187.07506	3.1
189.09094	31.4
191.06989	7.8
193.08516	2.3
195.08028	4.4
195.10098	3.4
203.07066	3.1
203.10591	2.8
207.06575	4.9
207.10124	58.6
208.10510	2.7
215.07080	3.0
219.10188	6.3
221.11729	10.1
223.07611	1.9
227.07098	2.1
227.10611	5.2
245.07970	2.4
253.08444	3.1
253.12221	1.9
255.10133	5.0
265.08792	2.0
273.11194	2.2
275.09070	1.9
281.11505	3.2
285.11066	5.3
287.12732	11.7
291.12210	4.6
297.11261	2.2
299.12875	3.4
313.14218	12.0
323.11258	4.1
331.15326	67.3
332.15533	2.7
341.12186	2.9
343.15378	7.7
345.16901	2.0
429.14896	1.5
656.18494	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03935	2.4
56.05019	1.3
58.06587	8.7
67.05493	1.4
69.34285	2.7
71.04983	0.8
72.08160	0.9
75.04472	2.7
77.03922	2.1
79.05486	2.5
81.03416	1.0
81.07067	1.1
82.06564	1.3
84.08186	0.8
85.02899	2.3
91.05457	3.2
93.07032	0.8
94.06538	0.8
95.04961	11.1
97.06548	0.6
105.03378	72.2
105.04515	4.0
105.07022	1.6
106.03725	1.1
107.04951	1.2
108.08111	1.7
109.06528	1.7
110.09686	2.7
111.04496	0.7
111.08072	3.7
112.07587	1.1
113.08368	0.8
115.05482	1.5
117.07018	3.1
118.06517	0.7
119.04919	0.8
119.08562	0.6
120.08086	0.8
121.02838	1.5
121.06544	1.2
122.09711	1.2
123.04446	1.1
123.08005	0.7
124.07591	0.9
127.95222	0.6
128.06227	0.7
129.07002	2.5
131.08568	2.4
133.02859	0.7
134.09625	1.0
135.08037	0.9
137.05992	1.6
138.09114	1.3
140.10730	1.3
141.07028	1.5
142.12291	1.5
143.08601	0.9
145.02814	0.7
145.06470	0.8
146.05991	1.1
147.04448	1.4
147.08032	1.2
148.11171	1.0
152.10646	3.3
153.06960	1.3
155.08582	1.0
158.09656	0.8
159.08115	1.7
160.11235	1.1
161.09645	1.0
162.09146	1.7
165.06958	1.5
167.07150	0.9
167.08626	1.7
172.11188	0.7
173.05997	0.7
174.09174	3.1
177.05487	1.9
178.07800	1.2
178.12244	0.9
179.08554	2.1
181.10168	0.8
184.11238	0.8
186.12802	1.3
188.07016	1.4
190.12308	0.9
191.08586	1.7
192.09157	0.8
193.10138	1.5
195.08043	0.9
197.06062	0.9
202.07814	1.0
202.12241	1.9
203.08601	0.7
204.09703	0.7
205.10170	1.8
206.04312	0.7
207.08240	1.5
207.11717	1.0
209.09604	1.2
218.07449	0.8
218.15466	2.2
219.08063	1.1
221.09659	0.7
222.12662	0.8
223.07614	0.8
223.11179	0.9
225.09186	0.9
227.10832	0.7
233.09631	1.8
235.07652	1.1
235.11272	1.4
245.09749	0.8
247.07484	0.7
249.12654	0.8
251.10474	0.9
253.08751	0.7
259.09741	0.7
261.09158	1.1
279.10068	0.9
292.13278	0.8
296.16528	0.9
308.16495	1.1
325.14246	0.9
327.12433	0.7
336.15918	1.0
340.19022	3.1
350.17859	0.8
354.20700	2.4
359.14868	1.2
368.18481	15.9
372.21698	3.2
376.24884	1.4
404.24341	4.2
406.58701	0.7
462.22809	0.8
476.24234	2.3
494.25543	4.9
504.23853	1.2
508.26694	1.1
522.24792	1.5
526.27930	7.6
527.28589	0.8
536.26324	2.5
554.27350	4.0
568.29358	0.7
586.30017	33.2
587.30762	2.9
719.46930	3.2
720.32123	100.0
721.32721	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	720.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.1
53.03937	1.7
55.01860	0.8
55.05492	0.8
56.05020	1.4
57.03419	0.8
58.06593	7.6
59.04993	0.9
61.75045	0.5
67.05483	1.0
69.03406	1.0
69.07061	1.0
69.18900	0.9
69.19306	1.9
70.06561	0.6
71.04974	1.6
71.16840	0.5
72.08133	0.9
75.04461	1.9
76.03215	0.5
77.03909	2.0
79.05487	1.8
81.03418	1.1
81.07037	1.7
82.06551	0.8
83.04926	0.5
84.08123	0.9
85.02892	2.5
85.06566	0.5
86.06030	0.5
91.05477	3.1
93.07023	0.8
94.06575	0.9
95.04953	10.1
95.08627	0.8
96.08142	0.8
97.02882	1.0
98.09720	0.6
99.04427	0.5
99.08080	0.9
100.58479	0.4
105.03378	62.7
105.04393	3.8
105.07022	1.5
106.03714	1.2
107.04965	0.9
107.14228	0.5
108.08115	2.3
109.02895	0.6
109.06501	0.9
109.10141	0.9
110.09672	1.8
110.64662	0.4
111.08036	2.7
112.07555	0.7
113.08373	0.6
114.09145	0.6
115.05433	1.2
116.10736	1.4
117.06996	2.5
119.04925	0.9
119.08589	0.7
121.06444	0.6
121.08889	0.5
122.09653	1.9
123.04404	0.6
124.07581	0.7
128.06181	0.6
129.06967	2.3
131.04910	0.7
131.08566	1.9
132.08098	0.7
133.02821	0.6
133.06459	0.8
134.09680	1.6
137.06012	1.1
138.09064	0.6
140.10710	0.6
141.06999	1.4
141.09109	0.9
142.12286	0.8
143.08536	1.5
144.05690	0.5
145.02802	1.4
145.08817	0.6
146.03587	0.7
146.09564	0.6
147.04404	1.7
147.08046	0.6
148.11200	0.5
152.10712	2.0
155.08543	0.7
157.06528	0.7
158.09583	0.9
159.08003	0.9
160.07591	0.5
160.11185	1.1
161.05994	0.6
161.09631	0.9
162.09131	1.6
163.07536	0.5
164.10707	0.7
165.06984	1.2
165.09077	0.7
167.08572	1.2
168.08052	0.6
169.09964	0.6
171.08028	0.8
172.11191	0.8
174.09149	2.1
177.05382	2.6
178.07736	1.1
178.12160	1.2
179.08539	1.6
181.06508	0.6
181.10100	1.2
182.07182	0.5
183.07938	0.6
184.11134	0.6
186.12784	1.5
187.07422	0.7
188.07071	0.6
190.07687	0.7
190.12219	1.0
191.08595	0.8
192.09378	0.8
193.10054	1.3
195.08069	0.6
202.07811	0.7
202.12286	1.5
205.10167	1.3
208.11163	0.6
209.09683	0.6
211.13263	0.6
213.47520	0.5
215.08563	0.9
216.13914	1.0
217.10159	1.1
218.15390	2.6
219.08089	1.0
221.09618	1.2
233.09572	1.3
234.14960	0.6
235.07663	0.6
235.11168	0.7
237.09032	0.8
247.07434	0.7
249.09071	0.6
251.10632	0.9
253.14409	0.5
261.09128	1.2
263.10590	1.0
265.12259	0.6
279.10330	0.6
281.11652	0.6
282.20706	0.9
290.15295	0.7
296.16293	0.6
300.21738	1.4
306.14951	0.6
308.16394	0.7
340.19000	1.8
344.22299	1.3
350.17606	0.8
354.20740	1.4
356.18192	0.5
368.18497	11.5
369.18927	0.8
372.21725	2.4
376.24847	0.5
386.23367	0.6
404.24213	4.0
432.24094	0.6
444.26300	1.2
473.01697	0.6
476.24155	2.3
478.22046	0.9
494.25351	3.6
504.23611	0.9
522.24884	1.5
526.27771	6.0
536.26355	1.4
554.27441	4.4
586.29932	22.6
587.30292	1.7
688.31982	0.5
720.32159	100.0
721.32452	7.4
733.40955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
54.39707	1.2
55.01870	8.6
55.05502	35.1
57.02559	1.2
57.03429	8.1
57.07067	1.4
58.06590	1.2
61.02905	5.0
65.03922	1.6
67.05492	33.7
68.05843	1.2
69.03416	3.0
69.07056	14.6
71.04972	2.5
71.58068	1.0
79.05482	36.7
81.03400	10.6
81.07046	33.9
82.30228	1.1
83.04963	10.1
83.08603	37.0
85.02890	2.6
85.06520	1.4
90.51984	1.2
91.05465	37.4
92.48060	1.3
93.07029	38.0
93.07598	2.4
95.01353	1.5
95.04957	32.6
95.08592	28.7
96.08120	1.1
97.02883	4.3
97.06508	10.2
97.10158	5.5
99.08065	1.8
103.05403	1.3
105.03381	12.7
105.04501	3.8
105.07012	35.1
107.04932	18.8
107.08571	23.2
109.06498	8.0
109.10137	12.4
111.00764	1.4
111.04411	3.0
111.08074	9.2
115.05455	2.9
117.06993	14.7
119.08569	30.7
121.06493	9.7
121.10128	16.7
123.08064	7.7
123.11684	2.9
124.07607	1.4
125.09602	4.8
129.06967	6.3
130.07762	1.4
131.08537	20.6
133.06499	2.5
133.10103	30.1
135.08037	7.7
135.11681	11.3
137.09605	4.0
139.00197	2.9
139.11148	2.7
141.06961	3.5
143.08563	3.7
143.25885	1.3
145.06483	2.4
145.10100	26.5
147.08034	3.9
147.11641	12.6
147.12576	1.5
149.09595	23.5
149.13231	2.9
151.11183	3.8
155.08495	4.8
157.01306	1.5
157.08829	3.1
157.10101	5.2
159.11673	13.8
161.09575	4.8
161.13237	3.6
163.11148	30.8
165.12759	5.8
167.10620	1.2
169.10086	4.7
171.11673	4.9
173.09581	3.6
173.13277	5.9
174.09068	1.5
175.11203	3.2
175.14821	3.0
177.12714	5.5
179.14149	1.2
183.11638	2.5
183.14732	1.4
187.11227	1.5
187.14763	2.3
189.11139	2.8
189.12683	1.9
191.10643	2.0
191.14235	2.0
196.68443	1.5
197.13194	2.8
201.12686	1.5
205.12212	4.5
207.13820	1.8
211.14975	1.5
213.16406	1.3
223.13266	2.8
227.12798	3.6
229.19434	3.6
231.05040	1.7
239.17986	9.3
241.14069	1.5
247.20477	2.8
257.18994	14.9
267.15775	2.4
275.20016	100.0
276.20358	3.4
279.16025	1.4
283.15350	4.0
293.21075	13.5
297.16885	5.2
299.14856	1.6
349.23666	95.5
350.24026	3.5
367.24741	28.4
368.25247	1.3
491.26175	4.9
505.23959	1.9
505.31152	1.3
523.25183	86.6
524.25342	3.3
541.29510	1.5
720.27606	15.6
721.27832	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	720.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01871	6.8
55.05504	32.3
57.03437	7.0
61.02907	2.3
65.03912	2.1
67.05499	33.2
69.03413	3.0
69.07064	15.5
69.77924	2.9
69.78288	2.9
71.04984	2.4
73.10882	1.1
79.05481	32.9
80.05823	1.2
81.03397	7.7
81.07047	38.7
83.04977	6.1
83.08610	35.2
85.02915	2.9
85.06516	2.9
91.05467	34.2
93.07038	32.9
95.01306	1.5
95.04960	27.1
95.08591	21.5
97.02854	3.2
97.06530	7.9
97.10165	4.7
99.08083	2.0
103.05400	1.4
105.03368	9.6
105.04517	2.8
105.07014	35.4
106.07389	1.6
107.04952	14.6
107.08592	25.6
109.06497	5.7
109.10141	13.7
111.04440	3.1
111.08092	7.2
113.09595	1.7
117.07019	12.5
119.08562	31.8
121.06480	10.9
121.10134	17.4
123.04371	1.3
123.08022	6.3
123.11708	2.8
125.09634	6.2
129.07042	4.8
131.08562	17.6
133.06502	2.4
133.10123	29.4
135.08066	7.7
135.11676	9.3
137.09586	4.6
139.00267	2.8
139.11185	3.1
141.06984	2.1
142.68393	1.4
143.08553	5.7
145.06412	2.6
145.10115	24.4
145.11221	2.1
147.08041	5.0
147.11670	14.0
149.09590	24.5
149.13219	2.0
151.11166	4.7
155.08557	2.8
157.08936	2.4
157.10159	3.9
159.11688	11.7
161.09613	3.8
161.13231	4.9
163.11160	30.9
165.12708	4.8
169.10123	3.6
171.11699	4.4
173.09674	3.4
173.11914	1.6
173.13280	4.5
175.11179	2.8
175.14771	2.1
177.12743	4.5
183.11671	5.0
185.13297	1.7
187.11171	1.6
187.14828	1.7
189.11182	2.9
189.12715	3.4
191.10687	1.3
191.14299	2.8
193.12222	2.0
197.13269	3.5
201.12698	1.8
205.12221	5.5
211.14783	2.0
213.16319	1.7
215.17924	1.9
223.13167	2.1
227.12698	3.5
229.19536	4.0
231.04936	1.7
239.17975	8.6
245.13802	1.5
247.20584	2.7
257.18967	13.6
275.20035	100.0
276.20383	4.8
279.15753	2.3
283.15479	4.7
291.19501	1.9
293.20990	8.7
297.17014	5.7
349.23691	92.7
350.23990	6.7
367.24741	29.7
368.25122	2.0
452.48163	1.6
491.26138	6.8
505.24667	2.6
505.31461	2.3
523.25220	84.8
524.25531	6.9
677.91681	1.5
720.27826	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	720.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	2.9
53.03926	1.3
55.01874	2.3
55.05255	0.6
55.05505	9.5
56.44698	0.4
57.03428	5.1
58.06584	0.4
59.04986	2.9
61.02906	1.5
65.03922	0.5
67.05492	8.2
69.03402	1.5
69.07047	1.6
69.27319	1.7
71.01342	1.2
71.04966	0.9
73.02903	1.1
79.05486	5.5
80.58920	0.4
81.03403	2.3
81.07045	11.6
83.04971	2.2
83.08607	8.5
85.02895	2.7
85.06542	1.3
87.04489	0.5
88.97847	0.4
91.05469	13.8
93.03380	0.5
93.07033	11.6
95.04960	3.6
95.08595	3.0
97.02881	4.9
97.06514	2.4
97.10143	0.4
99.00156	0.8
99.00800	13.6
99.04449	1.0
101.02345	0.4
103.05454	1.1
105.03359	0.9
105.07013	12.2
107.04932	4.9
107.08587	5.6
109.02866	9.7
109.06487	1.7
109.10142	3.9
111.04398	1.6
111.08051	3.0
113.05975	0.5
115.03924	2.6
115.05432	0.4
117.07013	2.8
117.09138	0.5
119.04827	0.5
119.08562	7.0
121.06490	5.6
121.10136	0.4
123.04392	1.5
123.08042	1.2
123.11709	2.2
125.05916	0.6
127.03915	2.3
128.06216	1.2
129.06989	0.9
131.08527	1.2
133.06496	0.9
133.10107	28.5
134.10443	0.5
135.08015	1.7
135.11629	1.1
137.05949	1.3
137.09576	1.7
139.07535	3.5
143.08549	4.6
143.60872	0.6
145.06398	0.8
145.10042	0.5
147.07997	1.1
151.10008	0.9
151.11157	10.3
153.06966	0.7
161.09592	15.6
161.24464	0.4
163.11104	0.7
165.09091	1.2
171.08014	3.4
179.10641	8.4
189.09074	7.9
197.11694	2.4
207.10152	3.2
225.11192	10.1
243.12314	2.8
281.13760	6.0
299.14847	100.0
300.15167	3.6
335.94897	0.5
505.24213	1.0
523.25305	52.5
524.25623	2.2
537.49695	0.6
720.31757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	7.6
55.05251	2.4
55.05504	29.8
57.03419	6.2
59.04984	1.3
61.02907	1.9
62.14440	1.4
65.03937	2.4
67.05159	1.9
67.05499	31.4
68.25282	1.2
69.03425	3.5
69.07064	13.5
71.04972	2.5
77.03904	1.5
79.05483	28.6
81.03400	9.7
81.07047	28.7
81.54374	1.1
83.04969	7.2
83.08614	30.4
85.02886	5.0
85.06527	3.1
91.05466	31.4
93.07034	30.8
95.01301	1.8
95.04958	26.2
95.08593	21.2
97.02869	4.3
97.06503	8.5
97.10149	3.9
99.04456	1.6
103.05505	2.0
105.03383	6.3
105.04544	2.1
105.07014	29.5
107.04932	16.4
107.08578	22.3
109.02907	1.6
109.06493	7.5
109.10142	9.7
111.04424	3.3
111.08064	7.5
117.06986	12.6
119.08551	27.7
121.06490	10.1
121.10120	14.8
123.08073	9.4
123.11718	1.7
125.09634	4.2
129.06963	4.7
131.08549	16.5
133.06502	2.1
133.10109	21.4
135.08034	7.4
135.11694	10.0
137.09579	4.8
139.00220	2.5
139.11176	2.6
141.06952	1.6
143.08537	4.0
145.06464	2.4
145.10106	25.2
147.08037	3.2
147.11661	14.4
149.09595	22.4
149.13170	2.3
151.11195	3.9
155.08498	2.0
157.08928	2.0
157.10133	4.3
157.11409	1.5
159.08090	1.7
159.11639	10.1
161.09587	3.9
161.13232	5.1
163.11163	27.7
163.12450	2.5
165.12756	4.0
169.10097	4.1
171.11693	1.8
172.11215	1.5
173.09575	3.9
173.13257	5.2
175.11171	2.5
175.14674	1.6
177.12756	3.8
181.12219	2.2
183.11655	3.6
185.13318	1.4
187.11169	2.3
187.14835	1.4
189.11145	3.1
189.12714	2.3
191.10683	1.7
197.13271	4.2
205.12218	5.9
209.11572	1.6
215.17940	1.5
223.13222	4.0
227.12762	4.1
229.19518	3.0
231.05070	1.5
239.17886	9.7
241.14330	2.7
247.20526	2.7
257.18970	13.9
265.67523	1.3
273.95380	1.5
275.20041	100.0
276.20370	4.5
279.16031	1.6
283.15317	13.3
293.21057	6.2
297.16846	3.7
315.17950	3.4
349.23679	77.4
350.23843	3.8
367.24762	27.7
449.37100	1.6
473.25262	2.1
486.19241	1.7
491.26123	11.2
493.69370	1.4
505.24066	2.5
518.13379	1.6
523.25092	67.2
524.25433	4.6
541.29224	1.6
552.12946	1.6
720.27185	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01862	5.5
55.05502	18.0
55.49754	1.4
57.03177	2.0
57.03420	8.2
58.70369	1.3
59.30187	1.5
60.09635	1.8
61.02918	2.7
65.03940	3.9
67.05495	33.0
69.03412	4.6
69.07069	15.3
70.01800	3.0
70.02129	3.7
71.04974	6.3
79.05485	35.6
80.22609	1.6
81.03410	8.4
81.07047	97.6
81.21038	1.6
81.97910	1.5
83.04959	6.9
83.08605	14.6
85.02882	4.2
85.06516	2.6
91.05467	32.6
93.07030	28.2
95.04961	29.5
95.08591	25.7
97.02866	5.4
97.06513	7.6
97.10147	2.6
98.22810	2.4
99.04414	2.2
99.08102	2.5
105.03387	3.1
105.07020	34.6
107.04931	14.4
107.08584	21.2
109.06500	33.7
109.10138	13.8
111.08051	3.1
117.06994	9.4
119.08566	28.5
121.06517	12.2
121.10130	18.4
123.08045	7.1
123.11696	8.0
125.09601	4.2
129.07040	4.2
131.08548	18.2
133.06444	2.6
133.10101	18.3
135.08032	4.8
135.11638	8.6
137.09595	3.7
139.00240	4.6
143.08603	3.4
145.10088	13.8
147.08028	3.0
147.11650	23.4
149.09566	11.4
149.13257	6.6
151.11176	4.9
157.01346	2.0
157.10136	6.4
159.11671	11.0
161.09621	2.1
161.13264	3.7
163.11163	12.0
163.14818	2.3
165.12717	6.2
169.10159	2.1
171.11638	2.7
173.09595	3.6
173.13271	4.8
175.11142	3.3
177.12758	5.0
183.11630	2.3
185.13193	2.6
189.11169	3.2
189.12642	2.0
191.14362	2.5
193.12151	3.1
205.12202	6.7
215.18005	2.0
227.12697	3.2
229.14452	2.0
239.17920	3.6
245.13733	2.0
247.20476	4.1
257.18970	7.8
273.31604	1.9
275.20020	92.9
276.20560	2.8
283.15164	2.5
293.21057	19.9
297.16946	9.4
349.23691	100.0
350.23975	3.5
367.24710	36.7
377.67282	2.1
415.97125	1.8
491.26309	2.3
505.23428	2.1
518.86462	1.9
523.25269	89.5
660.47803	1.7
720.29492	4.2
751.17755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	14.8
57.03430	15.1
57.07067	33.2
61.02912	4.0
67.05497	23.9
69.03426	3.2
69.07056	12.6
71.04976	5.3
71.08617	21.0
79.05492	16.6
79.05866	2.9
81.03407	37.9
81.07037	27.5
83.04962	11.8
83.08604	28.1
85.02893	22.8
85.10163	9.7
89.05984	2.2
91.05456	24.9
92.99976	2.6
93.07034	14.6
95.04958	18.7
95.08594	22.9
97.02867	4.1
97.10166	6.3
99.08107	2.6
105.07009	15.5
107.04933	5.9
107.08535	6.1
109.06510	3.2
109.10116	12.1
111.08063	8.5
111.88211	2.6
119.08523	12.0
121.10124	7.0
123.08103	2.6
123.11662	3.8
129.06956	6.7
131.08539	6.2
133.10155	4.4
147.11647	9.0
149.09605	6.1
157.10098	11.2
161.09550	2.7
175.11198	13.9
184.07396	4.3
193.12216	35.3
211.13271	51.3
267.15808	16.4
273.17993	3.0
285.16907	67.2
309.44592	3.0
313.27319	74.3
505.38815	13.9
523.39838	100.0
524.40338	8.7
638.46899	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	721.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
51.28532	0.2
53.03940	4.0
55.01869	0.5
56.31637	0.2
56.87401	0.2
57.03428	0.5
61.02920	0.8
67.01855	0.5
67.05484	0.3
69.03426	3.1
71.04987	2.5
81.03409	28.1
82.03759	0.4
83.01335	0.4
83.04967	0.5
85.02901	7.7
97.02881	12.9
99.04443	9.2
103.03930	1.8
107.25370	0.2
109.02866	100.0
110.03198	1.2
121.02866	0.5
127.03899	79.4
128.04214	0.9
139.03893	4.7
143.96419	0.3
145.04953	2.4
147.04379	0.4
153.01773	0.4
165.01805	0.3
169.04942	20.2
171.06508	0.3
187.05984	7.2
187.07567	0.5
189.90282	0.2
211.05960	1.2
229.07036	18.0
247.08148	1.9
287.05460	19.1
288.05719	0.7
289.09113	1.7
475.12027	0.4
551.92889	0.3
646.32257	0.3
751.69183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01857	0.7
55.05504	1.0
57.03421	1.3
59.96396	0.4
61.02918	3.0
69.03419	22.3
69.03798	1.1
70.36575	0.4
71.04983	1.7
72.04063	0.4
73.02888	0.7
79.30615	0.4
81.03407	9.7
83.01325	1.2
83.04961	6.5
85.02895	20.3
85.03414	1.1
97.02880	23.0
98.22709	1.4
99.04445	6.4
109.02866	48.0
111.00765	0.6
111.04424	10.8
121.02898	2.3
127.03902	29.1
129.05466	0.7
139.03879	3.2
141.01201	0.5
144.66995	0.5
145.04932	12.0
153.01880	2.5
153.05447	5.2
165.01840	1.6
169.04936	6.2
171.06525	2.4
175.30675	0.6
183.02820	0.7
187.05997	7.2
205.07056	8.4
213.05420	0.7
230.74490	0.4
231.06572	0.7
231.08546	2.7
241.04903	0.7
258.05179	0.8
287.05460	100.0
288.05743	3.3
475.96552	0.6
501.84543	0.5
517.13452	0.9
575.66870	0.6
642.45520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01840	0.5
55.05511	0.9
57.03429	0.9
59.05001	0.4
61.02906	1.5
69.03419	16.1
69.20432	0.3
70.72972	0.4
70.73306	0.4
71.05006	1.9
73.02898	0.5
81.03403	7.1
83.01318	0.5
83.04963	5.5
85.02893	14.1
85.03409	0.7
96.61320	0.4
97.02879	16.9
99.04435	4.9
109.02859	37.2
111.00787	0.9
111.04435	4.3
112.15194	0.4
115.03889	0.6
121.02827	2.2
127.03901	21.5
129.05542	0.5
137.02339	0.4
139.03853	2.2
145.04927	10.5
153.01773	2.4
153.05411	0.4
153.74358	0.4
165.01811	1.4
169.04951	3.9
171.06479	1.9
183.02846	0.7
185.05972	0.4
187.05984	6.1
205.07030	6.0
213.05365	0.8
231.06412	0.6
231.08603	0.9
258.05225	1.2
259.05896	0.4
265.51852	0.4
287.05450	100.0
288.05740	3.2
299.14807	1.4
517.13550	1.0
523.25641	0.5
542.31714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88220	0.1
53.03937	0.3
54.56644	0.1
55.01871	0.4
55.05502	1.7
57.03424	0.6
61.02914	0.7
64.87650	0.1
65.03934	0.3
67.05492	0.7
68.99790	0.4
69.03419	1.7
69.07050	0.2
69.55135	0.7
71.04966	0.2
73.02915	0.2
79.05498	1.0
81.03417	1.2
81.07043	2.0
82.07372	0.3
83.04971	7.4
83.08619	0.3
84.05293	0.2
85.02888	3.4
91.05474	0.6
93.07025	0.6
95.04969	1.1
95.08578	0.4
96.08888	0.2
97.02879	2.2
97.06512	0.3
97.10138	0.2
99.04415	0.4
105.03377	0.6
105.07036	0.8
107.04934	0.6
107.08560	0.4
109.02854	0.5
109.06499	0.7
109.10174	0.3
111.00790	0.7
111.04430	15.7
112.04723	0.3
117.07006	0.3
119.08562	0.7
121.02836	2.2
121.06473	0.2
121.10150	0.4
123.08063	0.2
127.03904	0.8
129.05498	0.4
129.06956	0.3
131.08563	0.4
133.02840	0.4
133.10114	0.3
137.02307	0.9
141.50595	0.1
145.04922	0.5
145.10042	0.4
147.04399	0.4
147.11609	0.4
153.01820	3.7
153.05443	9.5
154.05762	0.2
157.04941	0.4
157.06435	0.4
163.11169	0.3
165.01816	1.6
171.04414	0.3
171.06476	0.8
183.02904	0.8
185.06009	0.5
187.76213	0.2
197.06023	0.2
213.05461	1.3
213.07623	0.5
227.12759	0.2
231.06534	0.7
241.04984	0.9
258.05222	1.2
259.05917	0.4
269.04160	0.2
273.09677	0.9
275.20071	1.3
276.20325	0.5
287.05453	100.0
288.05817	2.7
293.21213	0.4
349.23593	1.2
350.23987	0.6
353.06378	0.2
367.24832	0.5
368.25342	0.2
449.04694	0.2
449.10745	2.5
523.25146	0.7
524.25531	0.7
559.14117	1.0
721.29395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.5
51.28532	0.2
53.03940	4.0
55.01869	0.5
56.31637	0.2
56.87401	0.2
57.03428	0.5
61.02920	0.8
67.01855	0.5
67.05484	0.3
69.03426	3.1
71.04987	2.5
81.03409	28.1
82.03759	0.4
83.01335	0.4
83.04967	0.5
85.02901	7.7
97.02881	12.9
99.04443	9.2
103.03930	1.8
107.25370	0.2
109.02866	100.0
110.03198	1.2
121.02866	0.5
127.03899	79.4
128.04214	0.9
139.03893	4.7
143.96419	0.3
145.04953	2.4
147.04379	0.4
153.01773	0.4
165.01805	0.3
169.04942	20.2
171.06508	0.3
187.05984	7.2
187.07567	0.5
189.90282	0.2
211.05960	1.2
229.07036	18.0
247.08148	1.9
287.05460	19.1
288.05719	0.7
289.09113	1.7
475.12027	0.4
551.92889	0.3
646.32257	0.3
751.69183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03940	5.4
55.01860	0.7
57.03423	0.5
61.02917	0.3
61.95941	0.3
62.65945	0.3
63.22003	0.3
67.01859	0.5
68.99786	0.6
69.03418	8.1
69.08503	0.7
69.08902	1.7
71.04982	1.2
81.03405	31.0
83.04969	1.1
85.02887	3.0
87.28331	0.3
97.02882	14.6
99.04434	6.3
103.03922	0.8
105.03376	1.9
107.04930	0.5
109.02864	93.1
110.03208	1.2
111.00803	0.7
111.04416	1.4
121.02840	1.8
123.43704	0.3
127.03898	39.9
128.04187	0.6
131.16916	0.3
139.02861	0.3
139.03897	4.4
145.04915	1.5
153.01819	2.3
165.01808	1.5
169.04929	12.4
183.02911	0.4
187.05989	5.7
213.05515	0.8
229.07043	11.2
231.06523	0.6
241.04955	0.6
247.07947	0.7
254.56178	0.3
258.05139	0.7
287.05453	100.0
288.05838	3.0
315.77795	0.4
395.07242	0.5
433.11234	4.2
434.11481	0.3
437.08432	0.4
468.08441	0.4
517.12878	0.4
721.26849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.3
53.03940	5.1
53.06746	0.4
57.03428	0.9
61.02918	1.0
69.03425	2.6
69.10948	2.7
71.04981	3.8
79.05495	0.3
81.03406	31.5
81.07011	0.4
83.01321	0.6
85.02894	14.5
85.03410	0.7
85.66357	0.4
86.06033	0.4
91.49519	0.4
93.07008	0.4
95.04900	0.4
96.19216	0.3
97.02880	12.9
99.04444	10.4
103.03905	2.2
105.07099	0.4
107.08631	0.5
109.02862	89.4
110.03181	1.2
115.03888	0.6
116.10779	0.4
121.10137	0.4
127.03895	100.0
128.04219	0.8
131.46036	0.4
133.10037	0.4
139.03888	4.0
145.02757	0.3
145.04926	1.5
169.04936	22.0
170.05252	0.4
173.09608	0.4
177.05455	0.7
183.45824	0.3
187.05984	5.0
207.24678	0.3
211.06015	0.6
212.16536	0.5
213.16933	0.4
229.07034	18.9
247.08189	0.5
257.04398	1.1
286.04517	0.6
287.05441	7.3
289.09137	7.1
303.67758	0.4
356.37952	0.4
367.15790	0.4
433.11176	0.4
557.12872	4.7
669.96790	0.4
703.90973	0.4
721.25281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54336	0.2
51.02341	0.2
51.85925	0.2
53.03940	1.9
57.03421	0.2
67.01851	0.4
68.99775	0.4
69.03420	3.0
71.04974	0.9
72.23737	0.2
74.41106	0.2
81.03407	16.7
85.02899	1.9
95.04967	0.3
97.02882	4.8
98.22691	0.6
99.04439	2.4
103.03923	1.0
103.73498	0.2
105.03365	0.7
105.07045	0.2
109.02863	33.5
110.03206	0.4
111.00768	0.4
111.04433	0.2
121.02850	1.5
121.92949	0.2
127.03897	12.9
129.05469	0.2
133.02820	0.3
137.02359	0.4
139.03903	1.0
145.04959	0.4
145.10126	0.2
147.04361	0.3
153.01816	2.3
165.01781	1.0
169.04941	4.2
169.06406	0.2
183.02866	0.5
185.05977	0.3
187.05992	2.3
189.05423	0.2
190.99734	0.2
200.03854	0.3
213.05367	0.9
229.07040	7.2
231.06613	0.3
241.04929	0.8
258.05118	0.7
259.05902	0.4
287.05450	100.0
288.05759	3.2
289.09161	0.9
299.05484	0.3
377.06604	0.2
433.11203	4.8
435.92502	0.2
437.08337	0.6
720.38818	0.4
721.26276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05501	1.4
57.03425	1.7
61.02917	2.9
67.05495	6.8
69.03419	3.0
69.07054	1.4
69.72021	1.4
69.93003	0.4
72.83392	0.5
73.02921	2.4
79.05486	4.0
80.75900	0.4
81.03410	3.4
81.07043	7.1
83.04976	1.7
83.08600	1.7
85.02892	4.0
91.03956	1.9
91.05454	2.3
93.07043	2.1
95.04960	1.7
95.08588	2.4
97.02888	3.0
97.06499	0.5
99.04430	1.0
99.49345	0.5
100.05103	0.5
101.02370	0.9
105.07023	1.3
107.08584	2.5
109.02865	1.1
109.06514	2.0
109.10123	4.7
109.52377	0.6
111.04435	1.2
111.08071	0.5
114.65950	0.5
117.07024	0.8
119.08571	2.2
120.56306	0.5
121.10121	1.4
124.12235	0.5
125.09579	0.9
126.55609	0.5
127.03905	1.3
129.06990	0.5
131.08578	1.4
133.10130	1.0
135.07999	1.0
135.11711	0.9
142.23329	0.5
145.06491	0.6
145.10146	1.2
147.08022	0.8
147.11647	0.6
149.09630	0.6
153.12727	0.7
159.08020	0.5
159.11790	0.6
163.11134	1.1
171.87349	0.5
173.11731	1.4
187.14868	0.6
222.91949	0.4
229.14371	0.5
243.08449	1.8
273.18509	0.9
291.19437	0.6
331.18805	1.3
333.20273	0.8
411.16269	3.7
413.17764	5.0
541.35162	0.5
549.26550	4.0
551.28186	1.6
559.36505	0.7
721.37518	100.0
722.37830	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	721.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05495	1.6
56.99455	0.3
57.03436	2.2
57.07064	1.5
61.02920	6.6
65.03924	0.4
67.05494	6.4
69.03426	3.8
69.07065	1.2
71.01343	0.5
71.04974	2.5
71.08620	2.2
73.02908	4.0
79.05481	5.5
81.03402	2.3
81.07044	4.4
83.04961	0.6
83.08595	0.6
85.02887	6.1
85.06529	0.4
85.10191	0.9
87.04472	1.3
88.08782	0.4
89.06018	4.8
91.03944	3.8
91.05464	3.9
93.07030	6.5
95.04970	1.0
95.08593	3.2
97.02879	5.3
97.06545	0.5
97.10181	0.4
99.04453	0.6
101.02369	1.9
103.03915	0.7
105.07027	1.3
107.04962	0.4
107.08562	2.1
109.02870	0.8
109.06548	0.5
109.10145	3.2
111.12672	0.4
115.03930	0.5
117.07017	1.0
118.07825	0.4
119.08572	2.3
121.06498	1.0
121.10126	2.4
127.03883	2.0
129.06990	0.4
131.07027	0.6
131.08583	1.5
133.08612	2.9
133.10117	1.2
135.08066	0.7
135.11632	2.1
137.09634	1.0
140.71910	0.3
145.10150	1.1
147.11674	0.5
149.13271	0.5
159.11754	0.7
163.11256	0.5
165.09093	0.5
171.82497	0.4
177.11266	1.1
184.07390	0.4
185.04285	0.8
240.87964	0.4
243.08440	1.6
253.14156	1.5
262.32291	0.3
287.18625	0.4
291.23157	1.2
307.22607	0.7
471.21741	3.9
483.50208	0.4
491.26071	8.8
492.26205	0.5
534.61713	0.4
621.31592	0.4
705.47711	0.5
721.41156	100.0
722.41504	9.8
722.53931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83668	0.6
55.01860	1.4
56.05029	1.5
58.06591	13.5
61.98778	0.6
62.75074	0.8
63.05272	0.7
67.05462	0.8
69.03413	1.2
70.06587	0.8
71.05007	0.8
75.04471	1.6
79.05454	0.8
81.03394	4.6
85.02892	1.6
91.05475	1.6
93.07066	0.7
105.03394	1.0
105.07012	2.2
107.01281	0.9
107.04982	0.8
108.08117	1.4
109.02859	3.0
109.06484	0.9
110.09643	1.2
115.05437	1.2
117.07005	1.8
119.04910	1.5
119.08608	0.7
120.08160	0.6
121.06506	1.2
122.09651	1.9
123.04395	1.1
127.03899	2.9
128.06215	0.9
129.06989	2.1
131.04904	0.7
133.06458	1.3
136.02686	0.7
137.02330	96.0
137.03426	8.0
138.02666	1.0
138.09175	1.1
141.06998	1.0
143.08548	0.8
145.02748	0.9
145.06482	1.3
146.09605	1.3
147.04382	1.2
149.05957	1.0
150.09023	0.7
152.10701	1.9
155.08589	0.7
158.09634	1.3
159.10458	0.8
160.11237	1.3
161.05992	0.9
163.03915	0.8
165.07019	2.4
167.08614	0.8
169.06433	0.9
171.07945	0.7
172.11221	1.3
174.09172	2.1
176.10779	0.9
177.05501	1.8
178.07819	1.9
179.08560	1.6
181.06468	1.0
181.10121	0.8
183.08112	1.0
184.11229	1.2
188.10632	0.9
191.08554	1.4
193.10118	1.0
195.08057	1.1
197.09686	1.1
203.08577	1.6
205.10138	1.8
207.08087	1.4
209.09624	1.4
211.07550	0.7
211.11157	0.9
214.12360	0.8
221.09657	2.1
225.09085	1.0
229.64099	0.8
231.08072	1.0
233.09654	1.2
234.14828	0.7
235.07573	1.7
235.11108	1.4
237.09108	1.5
239.10718	1.1
249.09084	1.6
251.10608	0.9
253.08591	0.8
262.12079	1.3
267.10245	0.8
287.05594	1.1
310.14825	0.8
324.15875	0.7
338.17676	0.9
356.18716	0.9
358.50052	0.7
366.17029	0.9
370.20151	1.8
375.18015	1.9
384.18420	1.0
388.21118	1.4
398.19638	2.0
416.20538	0.8
426.19177	0.9
430.22119	0.7
448.23337	1.0
466.24277	0.7
472.05487	0.8
524.22980	1.9
542.23645	1.0
552.22229	1.2
584.24829	2.8
585.24347	1.0
601.98511	0.7
602.26160	2.5
644.26874	4.0
662.27991	10.2
721.47736	1.9
722.30054	100.0
723.30591	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	722.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.3
53.03930	1.6
55.01857	0.6
56.42031	0.4
58.06577	1.0
67.05491	0.5
70.06571	2.9
71.04979	0.7
74.06053	0.9
74.86156	0.4
75.04483	2.4
77.03917	1.8
79.05472	1.1
81.03407	0.8
81.07035	0.9
82.06587	0.5
84.08112	0.5
85.02881	1.2
86.09687	0.4
87.04468	0.4
91.05476	1.8
94.06558	2.9
95.04955	10.7
96.08095	0.5
98.06060	0.8
99.04470	0.5
100.07612	0.4
103.05429	0.5
105.03378	70.8
105.04514	3.9
105.07028	1.6
106.03712	1.2
107.04922	0.6
107.07330	0.8
108.08096	2.6
109.06532	0.7
111.04385	0.4
111.08069	1.2
112.07558	0.7
114.09120	0.5
115.05422	0.9
116.10541	0.4
117.06997	1.2
118.06526	0.8
119.04931	0.6
120.08080	1.0
121.06502	0.7
121.08866	0.6
124.07555	1.5
124.08365	0.5
125.06021	0.5
126.09171	0.7
128.06192	0.8
129.06993	2.6
129.23560	0.4
131.07285	0.8
131.08540	0.5
132.00206	0.4
132.08076	1.8
133.02837	0.9
133.06482	1.0
134.09695	0.6
135.04410	0.5
135.08058	0.7
137.05984	0.9
138.09131	2.0
140.10785	0.6
141.06963	0.7
143.04926	0.5
144.05641	0.5
144.08064	1.3
145.02808	1.0
145.06482	1.1
145.08875	0.5
146.09647	1.6
147.04404	1.6
148.07559	1.1
149.05984	1.2
150.09148	0.5
153.06984	0.7
155.08566	0.7
157.06479	0.9
158.09639	0.6
159.08017	1.4
160.07530	2.9
161.05945	0.7
162.09180	0.6
163.07506	0.4
164.10744	0.4
165.06999	1.0
167.08531	1.3
169.06453	0.5
169.94131	0.4
170.09630	1.1
171.08083	0.5
174.09090	0.6
175.03894	0.7
176.07047	1.0
176.10750	0.8
177.05391	2.1
177.09126	0.8
178.07849	1.1
179.08502	1.9
181.06506	1.0
181.10149	1.0
182.09657	0.4
183.08043	0.6
185.09547	0.6
186.09044	0.8
188.07045	0.6
188.10675	0.9
190.07741	0.6
191.08569	1.0
193.06575	0.4
193.10126	1.0
194.07338	0.4
195.08026	1.1
197.06015	0.5
199.07678	0.4
202.07726	0.6
203.08539	2.3
205.06529	0.5
205.10123	1.8
207.06450	1.1
207.08092	2.5
209.09621	1.1
213.09093	0.6
218.07297	0.6
219.08034	1.1
220.08882	0.7
221.09534	2.5
222.12755	0.6
223.07584	0.7
224.10794	0.8
225.09186	0.9
231.08058	1.3
233.09567	1.5
234.06882	0.7
235.07617	2.3
235.11140	0.5
237.09088	0.9
238.12189	0.5
239.10733	0.7
248.10660	0.6
249.09163	2.5
250.12161	0.9
251.10521	0.6
252.07790	0.5
253.08601	0.6
263.10736	1.2
264.10529	0.4
265.08679	0.7
266.11725	0.5
267.10007	1.9
274.12103	0.6
277.08517	1.0
278.11795	1.1
281.11761	0.7
292.13373	0.6
308.12735	0.7
309.11249	0.7
310.14328	0.6
324.16040	0.9
342.16983	1.1
343.19119	0.5
352.15515	1.3
356.18594	0.9
370.16385	7.2
371.17047	0.5
374.19623	0.5
384.18042	0.7
402.18887	0.5
406.22351	1.2
416.20380	0.6
446.20096	0.5
464.20642	0.7
478.22153	1.6
480.19904	0.5
496.23172	0.7
506.21829	2.0
510.24683	1.1
524.22638	1.5
528.25867	3.3
538.24518	1.9
556.25299	2.1
570.27252	0.5
588.27948	15.2
589.28363	0.8
722.30048	100.0
723.30426	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	722.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01862	8.6
55.05500	12.4
57.03429	8.1
58.06603	2.3
59.04981	2.0
61.02913	4.6
65.03936	3.1
66.34474	1.6
67.05497	38.2
69.03422	6.5
69.07059	6.2
69.36944	4.7
69.37357	5.4
71.05005	3.9
73.02911	2.5
79.05482	33.0
81.03410	19.3
81.06610	3.3
81.07050	33.3
83.04967	15.1
83.08626	8.9
85.02906	14.0
85.06533	5.1
91.03905	2.4
91.05473	34.5
93.07036	33.7
95.01309	3.5
95.04953	16.0
95.08596	13.2
97.02893	10.0
97.06516	9.8
98.03207	2.2
99.00793	11.2
99.04418	4.6
100.01126	1.8
103.05462	2.3
105.03378	4.0
105.04492	2.0
105.07017	18.7
107.04942	35.1
107.08576	23.1
107.36452	1.6
109.02864	19.9
109.06493	6.4
109.10142	8.8
110.03175	2.2
111.04439	22.6
111.08068	9.2
115.03941	2.0
117.07007	13.7
119.04950	2.2
119.08566	15.7
121.06499	8.9
121.10121	24.9
122.35545	1.6
123.04414	2.2
123.08049	3.3
123.11690	3.4
125.06019	2.3
127.03907	9.1
128.06210	2.0
128.62682	1.8
129.06999	6.0
131.04877	2.6
131.08542	13.0
133.10120	25.0
135.11678	31.6
137.05916	1.8
139.07533	2.8
143.08519	5.0
145.06483	6.2
145.10095	31.3
147.08041	3.4
149.09593	5.6
151.11166	6.5
153.12726	7.0
155.08536	11.2
161.09637	13.9
163.11168	45.0
164.11520	1.7
171.06517	3.9
171.07967	2.4
173.09598	26.6
179.10680	7.8
181.12204	18.3
189.09047	5.2
191.10620	18.5
207.10023	3.1
209.11670	6.3
225.11235	6.6
227.12779	15.2
265.14313	100.0
266.14456	3.5
271.86789	1.8
272.05338	1.8
281.13763	4.4
283.15372	62.7
287.05447	43.9
288.05774	33.6
299.14847	46.7
300.15317	3.1
301.16406	49.2
303.05005	3.2
318.35138	2.0
347.16925	2.0
406.30682	1.7
433.39563	1.7
489.24924	6.1
507.25809	65.6
525.26849	81.9
526.27179	5.2
722.26672	3.4
722.48328	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01876	5.2
55.05507	10.2
57.03429	9.4
59.04988	1.1
65.03924	0.8
66.67930	0.7
67.05498	12.1
69.03416	2.2
69.07062	3.8
69.65308	0.6
71.01343	0.9
71.04981	2.3
79.05482	15.5
81.03408	40.9
81.07047	15.7
81.64366	0.6
83.01318	3.4
83.04961	6.7
83.08612	13.0
85.02898	3.0
91.05466	13.6
93.07037	16.3
95.04956	15.6
95.05523	1.4
95.08593	6.3
97.02869	1.9
97.06508	2.8
97.10152	4.8
99.04440	1.3
99.08109	0.9
105.03413	3.6
105.04473	0.9
105.07018	10.1
107.04936	8.3
107.08572	7.2
109.02853	1.4
109.06493	3.6
109.10178	4.2
111.04446	1.8
111.08035	3.6
111.70840	0.7
115.05441	1.1
115.16428	0.7
117.07024	4.0
119.04914	1.2
119.08562	9.2
121.06507	3.9
121.10130	5.3
123.04417	1.5
123.08060	3.9
125.02264	1.0
125.05952	0.8
125.09604	5.9
128.06198	0.8
129.07001	5.4
131.04953	1.5
131.08565	5.9
133.06497	2.4
133.10141	3.7
135.08057	2.4
135.11656	5.4
137.09633	1.8
142.07724	1.4
143.08560	0.9
145.06471	2.2
145.10101	7.4
147.08037	3.0
147.11697	3.4
149.09608	2.6
150.80316	0.8
153.12776	1.7
155.08545	1.0
157.10080	5.0
159.08023	0.9
161.05991	2.7
163.07520	0.8
163.11162	9.9
165.12717	0.9
169.10135	1.0
171.07954	1.0
173.09657	2.6
175.11139	4.0
176.22055	0.8
181.12238	1.4
187.07532	0.8
189.09105	1.1
189.11296	1.2
191.10620	1.5
193.12233	8.4
205.12195	0.9
209.11705	2.2
211.13289	1.4
227.12790	2.2
231.13791	1.7
243.13713	0.8
259.13391	0.7
265.14301	1.5
267.15875	24.2
269.15244	0.9
271.13330	1.4
273.14935	1.3
283.15356	19.2
289.14340	4.0
355.22552	3.2
365.21008	2.1
383.22122	15.5
401.23251	8.2
419.24191	2.5
421.23541	1.2
431.24170	1.5
439.24789	2.1
457.25784	24.8
458.26111	1.1
475.26849	100.0
476.27298	4.5
493.27798	8.0
517.27679	1.4
638.00299	0.8
722.29205	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	722.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.2
53.03930	2.9
55.01860	8.4
55.05498	22.0
56.12246	0.7
57.03426	5.3
59.04981	1.1
65.03915	2.1
66.74707	0.7
67.05490	23.5
69.03416	3.6
69.07056	23.4
69.07438	1.2
71.01323	0.7
71.04967	2.2
71.08614	1.1
77.03925	0.7
79.05476	27.4
81.03403	9.5
81.06554	1.7
81.07038	35.2
83.04965	8.9
83.08601	11.0
85.02882	2.0
85.06544	0.7
89.06046	0.9
91.05466	21.7
93.07030	20.6
95.04949	11.7
95.08585	10.2
97.02886	3.0
97.06490	6.1
97.10152	12.3
98.22592	1.2
99.00800	4.1
99.04440	1.5
99.08061	1.8
103.05415	1.3
105.03392	0.8
105.04472	1.1
105.07012	15.9
107.04931	9.8
107.08572	16.8
109.02862	6.9
109.06493	8.0
109.10118	5.4
111.04408	5.8
111.08089	3.7
111.11674	0.8
113.06021	0.9
115.05430	2.2
117.07005	9.2
119.04908	0.7
119.08558	16.4
121.02892	1.3
121.06480	7.3
121.10104	4.5
123.04404	4.1
123.08031	4.5
123.11658	1.1
125.09609	11.2
127.03911	0.8
128.06212	1.5
129.06978	4.5
129.09126	0.7
131.04913	0.9
131.08554	6.8
133.06482	2.5
133.10088	14.4
135.04361	1.1
135.06395	0.9
135.08031	15.2
135.11678	2.9
137.05946	1.6
137.09595	5.1
139.07567	1.1
142.07678	0.8
143.08527	4.7
145.06459	5.5
145.10100	5.4
147.07997	4.3
147.11659	3.0
149.05910	0.9
149.09601	3.4
151.07483	0.9
151.11176	3.2
153.09105	3.4
153.12726	2.9
155.08572	1.9
157.10121	2.1
159.08044	6.1
159.11670	2.4
161.09584	7.6
161.13210	0.7
162.09932	1.0
162.47469	0.7
163.07509	9.7
163.11133	4.5
165.09093	1.7
166.32634	0.7
169.09969	1.5
171.07982	1.3
171.10184	1.5
171.11659	1.2
173.09651	2.2
173.13136	1.0
175.11130	2.2
177.09099	1.1
179.10669	2.6
181.12202	1.7
183.11748	2.0
184.07211	0.9
187.11180	1.2
189.09334	1.4
189.11185	7.0
191.08560	0.7
191.10681	2.9
193.12192	22.4
207.10065	1.1
211.13176	1.7
217.65746	0.8
221.11595	1.1
225.11241	2.0
227.12682	5.3
243.17413	3.1
261.18518	5.5
265.42505	0.7
267.15845	1.4
271.16925	8.1
273.18384	1.1
283.15247	1.4
289.17932	29.8
290.18323	1.2
291.19611	1.4
307.19000	8.9
345.20749	1.1
363.21567	9.5
381.22629	100.0
382.22855	3.6
477.28375	1.5
533.30304	0.9
573.33936	1.3
577.35376	0.8
589.33545	1.2
651.38226	1.2
669.39838	6.2
687.40869	28.8
688.40735	2.4
722.37598	1.1
722.49609	5.8
723.38678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01861	0.5
57.03423	1.1
59.04989	0.2
61.02913	1.2
64.15082	0.2
68.99792	0.7
69.03419	9.0
69.66363	0.2
70.49902	0.3
71.04972	1.0
73.02908	0.9
73.43993	0.2
79.05489	0.2
81.03406	8.7
81.07043	0.3
83.01328	0.7
85.02892	18.2
89.45969	0.2
93.03449	0.3
95.04937	0.2
95.08627	0.3
97.02876	33.4
98.03175	0.3
99.04442	3.2
105.07054	0.2
109.02860	7.8
111.00755	1.0
115.03929	0.7
121.02831	1.0
123.04429	0.3
127.03896	7.9
135.04311	0.2
135.91969	0.2
137.02307	3.0
138.03578	0.2
139.03893	3.6
145.02934	0.2
145.04935	4.2
147.04424	0.2
149.02318	0.6
153.01804	3.5
155.04816	0.2
157.04939	2.7
161.05891	0.3
163.03851	0.4
165.01787	1.8
169.04921	0.6
173.05931	0.5
183.02844	0.7
183.04323	0.3
187.04254	0.4
187.05988	4.9
195.02820	0.3
199.05995	0.4
201.05437	1.5
205.05205	0.4
205.07037	2.7
217.07053	3.3
219.06526	0.2
228.04048	0.2
229.04947	4.3
247.05930	0.8
257.04349	2.8
274.04639	0.9
285.03931	1.4
303.04929	100.0
304.05286	2.6
345.05978	0.2
368.30289	0.2
475.34363	0.3
519.11261	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1754
Annotation	Quercetin 3-(2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03937	4.4
57.03427	2.3
57.25243	0.9
58.93211	0.9
61.02914	2.7
67.05480	1.2
69.03419	42.8
70.06554	1.7
70.70309	1.4
71.04988	2.3
81.03405	18.0
81.07053	1.5
83.01340	2.1
83.05001	1.0
85.02895	48.8
91.05489	1.2
93.06989	1.1
97.02878	70.5
97.09124	0.9
99.04444	13.2
106.57267	1.1
109.02861	100.0
110.03192	1.5
115.03944	3.5
117.06954	1.3
127.03895	59.5
129.10263	1.3
137.02318	4.4
139.03909	11.5
145.04936	13.5
153.01813	2.5
157.04974	5.5
165.01872	1.9
169.04959	11.5
187.05994	14.2
205.07034	19.0
213.37230	1.1
218.62292	1.4
229.05000	2.1
257.04471	3.2
287.05563	1.6
303.04938	87.7
304.05426	3.0
405.77792	1.2
519.11249	2.2
637.42743	1.1
678.71558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	0.7
55.05509	1.9
57.03421	1.3
59.05005	0.4
61.02915	4.8
65.75540	0.3
66.14603	0.3
67.05489	7.9
69.03413	2.7
69.07063	1.2
69.61928	1.3
71.01344	0.5
71.04988	0.6
73.02904	3.5
74.72490	0.3
79.05473	2.1
81.03403	1.7
81.07040	2.9
83.04967	0.7
83.08595	1.7
85.02882	4.2
85.06544	0.5
87.04456	0.5
91.03938	2.3
91.05470	2.4
93.07022	2.3
95.04958	1.4
95.08608	1.3
97.02863	3.5
97.06544	0.4
99.04417	1.4
101.02350	1.5
103.03916	0.3
105.07027	1.2
107.04946	0.5
107.08597	1.7
109.02881	1.2
109.10130	7.2
109.87601	0.3
111.04440	0.7
111.08055	0.4
113.95901	0.3
117.06989	0.7
119.07827	0.3
119.08588	1.2
121.10168	0.9
127.03915	0.9
131.08580	0.7
133.10110	0.8
135.08084	0.3
135.11705	0.4
137.09630	0.5
145.04977	0.4
145.10109	0.8
147.08012	0.3
147.11739	0.5
149.09634	0.6
159.11720	0.5
163.11162	0.5
173.11723	2.0
185.04262	0.6
195.09946	0.6
206.92703	0.3
223.13336	0.3
229.14418	0.8
243.08353	2.0
275.19977	0.5
291.19690	0.6
333.20367	1.7
346.80978	0.3
349.55804	0.3
389.23013	0.8
413.17719	10.5
414.18591	0.4
460.80301	0.3
551.28204	6.3
723.39069	100.0
724.39386	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	723.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72361	0.4
53.03940	0.6
55.01865	1.1
55.05500	2.1
57.03426	1.8
59.04992	0.6
59.66991	0.4
61.02916	4.7
65.03932	0.6
67.05502	9.3
69.03422	3.0
69.07057	0.9
69.33251	0.7
69.33657	1.5
71.04992	0.6
73.02908	3.0
78.44115	0.5
79.05482	2.6
81.03401	2.2
81.07043	5.2
82.07388	0.5
83.08615	2.2
85.02900	3.4
90.08733	0.5
91.03953	1.9
91.05457	2.4
93.07016	2.3
95.04977	1.2
95.08596	1.9
97.02874	3.7
97.10216	0.6
98.22692	0.8
99.04395	0.8
101.02380	1.5
103.03937	0.7
105.07026	1.7
107.04943	0.9
107.08611	1.4
108.18854	0.4
109.02902	0.8
109.06477	0.5
109.10141	8.1
111.08085	0.6
117.07037	1.0
119.08578	1.7
121.10171	1.2
127.03921	1.5
131.08517	0.7
133.10115	1.2
143.08554	0.5
145.10117	1.0
147.01366	0.4
147.11676	0.5
149.09608	1.0
151.11266	0.5
155.10742	0.4
159.11731	0.5
163.11208	0.9
173.11761	2.4
173.13109	0.4
176.26436	0.4
185.04214	0.4
193.58305	0.4
195.09885	0.9
201.11324	0.5
216.42491	0.4
229.14392	1.5
243.08339	2.1
251.12502	0.7
270.39514	0.5
275.20132	0.6
309.49377	0.5
333.20294	3.3
373.49719	0.4
389.23187	0.6
413.17795	9.7
526.26526	1.1
543.36823	0.4
551.28229	6.0
561.33685	0.4
579.49823	0.4
606.44604	0.5
723.39087	100.0
724.39471	9.8
727.80542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01860	0.7
55.05509	1.7
57.03433	1.8
57.37542	0.3
61.02916	4.2
67.05492	7.6
69.03412	2.6
69.07055	2.0
71.04983	0.7
73.02913	2.8
79.05476	2.4
81.03410	2.1
81.06596	0.2
81.07043	6.1
83.04985	0.9
83.08612	1.4
85.02892	3.1
85.06539	0.4
91.03947	2.4
91.05468	2.6
93.07018	2.4
95.04960	1.3
95.08598	2.3
97.02879	3.8
97.06526	0.7
99.04442	0.7
101.02335	1.7
103.03921	0.4
105.07011	1.8
107.04929	0.6
107.08596	1.3
109.02872	0.8
109.06518	1.0
109.10142	6.7
111.08102	0.6
117.06992	0.7
119.08558	2.0
121.10131	1.2
123.08104	0.4
127.03922	1.1
129.05481	0.4
131.08592	0.8
133.10141	1.1
135.11710	0.5
137.09668	0.5
139.11163	0.4
143.08568	0.4
145.10120	1.1
147.11684	1.1
157.10136	0.4
159.11723	0.7
160.74889	0.3
163.11211	0.7
173.11693	1.7
185.04274	0.7
189.11186	0.4
195.09972	1.0
229.14394	0.8
243.08298	2.9
260.94308	0.3
275.20120	0.7
301.09052	0.4
313.09064	0.5
333.20291	2.8
354.13174	0.5
389.23038	0.7
413.17804	7.8
423.19839	0.7
485.19925	0.5
489.60834	0.4
551.28156	6.7
552.28143	0.4
561.34369	0.4
595.30603	0.8
706.43115	0.4
723.39099	100.0
724.39386	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	724.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01862	3.7
55.05500	11.7
57.03436	13.1
59.04987	2.4
61.02919	8.2
65.03925	2.6
67.05495	49.3
69.03412	3.8
69.07069	10.1
71.04977	2.8
73.02922	3.5
79.05479	26.0
81.03410	6.2
81.07043	100.0
82.07375	2.2
83.04978	3.2
83.08619	5.3
85.02908	6.5
85.06537	2.4
91.03957	3.9
91.05465	23.2
93.07021	22.1
95.04958	7.7
95.08586	10.7
97.02894	5.8
97.06541	3.2
97.10191	2.4
99.04461	2.4
99.08102	4.2
101.02360	1.5
105.06997	11.5
107.04956	7.0
107.08565	11.1
109.06494	7.6
109.10139	37.2
111.08051	3.7
117.06994	9.3
119.08561	17.6
121.06524	4.6
121.10130	4.0
123.08024	7.5
125.09692	1.7
127.07566	6.6
128.06258	1.8
129.06995	4.0
131.08546	9.4
133.06487	2.8
133.10143	5.6
135.08067	4.5
135.11729	2.0
137.09657	5.5
143.08594	6.6
145.08633	5.2
145.10049	9.1
147.08066	8.4
147.11681	3.6
149.09656	5.9
157.10146	5.4
159.07959	1.9
159.11717	2.3
161.09579	7.7
163.11143	4.1
171.11728	2.9
173.11761	9.8
173.13127	2.5
191.10709	2.5
197.07277	2.8
199.14896	4.3
201.11188	48.5
217.15964	3.1
229.14301	41.2
230.14917	1.8
235.12695	1.5
243.08456	2.7
245.15344	12.1
253.13582	4.7
263.16385	2.2
273.18372	9.2
291.19574	14.4
299.14227	2.0
309.16165	1.7
319.18961	1.7
347.22073	1.7
355.16690	8.0
373.17676	16.2
383.19861	6.5
401.20850	12.8
413.17789	3.8
414.17892	2.8
473.29059	2.3
491.30215	14.3
509.26587	24.1
527.27673	41.0
528.28046	2.9
552.28625	4.5
723.39032	6.8
724.39465	80.1
725.38788	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	724.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03942	2.7
55.01864	16.0
55.02500	1.0
55.05249	2.2
55.05503	32.1
57.03426	25.3
57.07067	4.2
59.04984	2.2
59.84218	1.1
61.02921	7.0
63.98191	1.2
65.03936	2.8
67.05494	39.0
69.03416	6.8
69.07059	12.1
70.04192	1.7
71.01349	2.4
71.04979	3.4
71.15012	1.1
71.23735	1.1
71.44492	1.1
73.02910	9.4
79.05480	34.2
81.03409	23.8
81.07038	28.9
82.03771	1.3
82.04177	7.1
83.04970	17.7
83.08610	13.0
84.02108	2.3
84.05773	1.6
85.02880	8.8
85.06561	1.9
86.67305	1.3
91.03938	2.2
91.05463	27.3
93.07025	25.7
93.07587	1.6
94.04197	1.7
94.07824	2.4
95.04956	25.9
95.08578	12.1
96.05727	1.5
97.02875	7.8
97.06499	8.7
97.10153	19.7
98.07302	13.1
99.08083	1.6
101.06015	2.4
105.04522	2.5
105.06998	13.5
107.04926	8.5
107.08573	17.6
109.02887	1.3
109.06502	5.1
109.10127	12.0
109.59462	1.1
111.04479	2.8
111.08057	5.9
116.04684	22.1
117.05550	1.1
117.06997	5.6
119.08564	10.2
121.06485	3.0
121.10099	7.8
122.10712	1.4
123.08034	7.8
125.09607	22.2
126.10363	1.3
129.05452	51.9
129.06998	4.0
131.08498	6.8
133.06483	1.5
133.10094	8.0
135.08009	7.1
135.11667	9.4
136.08777	2.3
137.09596	4.8
143.06981	11.8
143.10674	1.8
145.10095	8.1
147.08041	2.6
147.11697	5.3
149.09592	4.7
151.11191	1.2
153.09096	3.4
153.12759	2.5
155.08588	1.6
157.08598	22.3
157.10118	4.8
163.11139	10.1
164.11940	1.7
165.09184	1.5
165.12656	1.4
167.07028	1.5
171.06558	1.9
171.10078	9.4
173.09636	2.3
173.11734	5.3
175.11174	4.8
176.52744	1.2
181.12212	4.7
185.08130	1.8
185.11719	2.5
189.11166	11.2
191.10701	2.8
192.11337	1.3
193.12279	7.6
199.13239	9.9
200.14052	3.2
209.11664	8.4
210.12473	3.2
211.13272	2.1
217.14384	2.2
227.12744	18.9
229.14305	4.7
230.00270	1.2
255.15924	3.1
265.14182	1.4
267.15909	9.5
268.16409	2.5
283.15338	12.6
284.16052	1.7
301.16409	100.0
302.16809	2.9
326.24905	1.9
351.43042	1.2
383.20215	1.2
425.25320	1.6
437.25525	1.5
443.26462	2.8
455.26340	5.1
459.27386	1.7
476.27426	2.1
477.27881	3.4
493.27869	4.7
509.27356	4.8
510.28018	4.0
527.28381	50.8
528.28632	3.8
558.00720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73809	1.7
53.03941	4.6
55.01862	9.4
55.05491	5.3
57.03426	8.3
65.03925	3.6
65.96825	1.8
67.05157	3.1
67.05493	43.3
69.03427	2.3
69.07055	7.8
71.04984	3.3
73.02898	1.8
79.05482	39.5
81.03410	22.8
81.07043	31.6
83.04969	19.7
83.08615	5.5
85.02880	4.6
85.06528	4.8
91.05474	27.1
93.07030	36.4
95.01291	2.9
95.04946	20.4
95.08598	15.5
97.02879	3.7
97.06500	12.0
97.10085	2.2
99.04462	2.0
105.07001	12.6
107.04937	43.0
107.08591	18.6
109.06504	4.5
109.10133	6.2
111.03733	3.3
111.04422	24.6
111.08044	6.5
117.06997	11.3
119.08578	16.6
121.06462	4.7
121.10132	31.4
123.04396	2.3
123.08087	2.3
125.05993	2.2
129.06990	6.0
131.04868	4.9
131.08534	9.7
133.10129	7.4
135.11667	39.4
143.08516	2.6
145.06461	8.3
145.10109	38.4
147.08018	4.8
149.09616	7.0
153.12700	11.4
155.08539	12.9
161.09639	4.1
161.19092	2.1
163.11156	54.2
173.09599	32.2
174.43890	1.7
179.10751	2.4
181.12231	16.0
189.09085	2.2
191.10678	19.0
193.23239	2.0
203.50735	2.1
209.11723	14.6
223.04790	2.0
227.12750	19.7
256.04718	1.9
265.14307	100.0
266.14612	5.0
267.15802	12.0
283.15329	51.8
284.15579	2.7
299.14890	11.8
301.16388	69.6
301.19794	4.1
348.41360	2.0
427.24744	2.7
443.54141	2.3
445.25674	3.4
463.26276	3.3
473.19412	3.0
473.25272	26.4
488.47766	2.1
491.19589	3.4
491.26349	59.8
492.26627	3.5
509.27451	26.8
527.28442	73.1
528.28699	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	724.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21171	0.9
55.01867	2.8
55.05499	11.8
57.03431	14.2
67.05498	17.7
69.03411	2.8
69.07051	5.8
69.75313	2.8
71.04988	3.7
79.05478	21.8
81.03406	88.2
81.07045	18.9
82.03709	1.1
83.04968	8.4
83.08608	18.3
85.02897	8.3
85.06506	1.4
91.05465	23.2
91.11519	1.0
93.07021	14.2
95.04958	26.2
95.05912	1.2
95.08592	9.1
97.02896	2.7
97.06519	4.5
97.10163	5.0
105.03346	1.0
105.07017	18.0
107.04936	9.0
107.08570	6.6
109.06502	4.4
109.10139	4.4
111.04429	2.9
111.08076	6.9
115.05440	1.5
115.34966	0.9
117.06992	3.6
119.08573	15.5
121.06493	5.0
121.10108	9.3
123.08051	1.6
125.09619	4.2
129.06998	11.9
131.04913	1.0
131.08557	10.0
133.06483	3.8
133.10129	7.1
135.07993	1.6
137.09628	2.3
142.07756	1.7
143.08559	1.5
144.53178	1.1
145.06490	3.7
145.10150	3.2
147.08031	5.5
147.11668	10.7
149.09627	6.4
153.09131	1.4
157.06471	1.3
157.10100	12.8
157.12161	1.2
163.11169	2.5
165.12712	3.7
171.11687	1.3
175.11163	11.1
177.50009	1.1
177.92717	1.1
185.09602	1.5
189.11176	1.4
193.12219	33.1
211.13245	13.3
223.13322	1.4
227.12708	1.6
229.14412	1.3
233.60576	1.0
237.12639	1.2
249.14775	1.9
255.13940	1.9
267.15869	100.0
268.16287	3.3
273.14893	4.0
283.15308	1.8
285.16931	16.1
341.21152	2.1
349.21622	3.7
365.23148	1.3
367.22644	9.3
385.23685	9.8
403.24759	3.0
433.25696	13.3
441.26178	6.0
459.27347	69.0
460.27744	2.9
477.28406	41.1
478.28632	2.8
566.50446	1.2
585.30713	1.6
633.10962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80506	1.6
53.03936	6.5
55.01864	19.3
55.05503	56.6
57.03438	12.5
57.03674	2.4
57.07076	1.9
59.04988	2.0
65.03935	2.9
67.05494	50.3
69.03419	7.0
69.07059	33.1
71.04993	4.2
71.08614	18.4
71.43948	2.1
79.05480	60.1
79.49600	1.8
80.05866	1.5
81.03403	24.9
81.07043	72.8
83.04973	24.2
83.08610	30.7
85.02889	5.6
85.06542	4.0
91.05470	49.5
93.07029	45.3
95.04956	28.0
95.08591	26.7
97.02867	8.5
97.06506	10.7
97.10143	21.1
99.00813	9.0
99.04436	3.5
99.08073	16.4
103.05445	2.6
105.07009	31.2
105.07639	2.9
107.04940	21.7
107.08580	31.7
107.09258	3.2
109.02868	16.2
109.06503	15.9
109.10133	16.5
111.04437	8.4
111.08068	7.2
115.05449	3.9
117.07003	16.0
119.04903	3.7
119.08558	30.8
121.06489	14.4
121.10152	13.6
123.04411	10.1
123.08039	10.1
123.11610	2.7
125.09607	19.3
127.03890	2.2
128.06194	3.1
129.06976	8.2
131.08540	15.2
133.06483	6.4
133.10109	28.8
135.08040	20.0
135.11667	11.0
137.05983	2.6
137.09567	10.4
139.07605	3.2
139.11140	2.9
143.08501	8.3
145.06476	5.6
145.10095	13.5
146.10471	2.3
147.08014	10.9
147.11679	7.3
149.09639	6.6
151.11148	10.3
153.09111	4.4
153.12698	9.4
155.08566	4.1
156.17722	1.6
157.10045	8.1
159.08037	7.2
159.11652	5.0
161.09593	19.0
163.07565	9.8
163.11139	13.8
165.09113	4.7
165.12753	2.9
169.10054	2.1
171.08073	3.8
171.10208	2.0
171.11736	2.9
173.09633	5.1
173.11717	2.5
175.11200	4.6
177.09035	2.6
179.10648	6.9
181.12199	5.4
184.23900	1.9
185.09601	2.7
187.11124	2.1
189.09279	3.1
189.11192	11.3
189.12709	2.9
191.10683	5.2
193.12210	78.9
209.11574	3.5
211.13292	4.7
221.11545	2.2
223.13255	2.6
225.11070	2.6
225.23787	1.5
227.12743	15.9
243.17416	2.9
245.18985	4.1
261.18533	6.2
263.19949	5.1
267.15842	2.9
271.16962	8.6
273.18317	9.3
275.20105	3.3
283.15314	4.1
289.17923	30.4
291.19467	22.7
307.18915	9.3
309.20569	7.4
323.17361	1.8
347.21979	3.6
363.21609	11.3
365.23224	11.2
381.22662	98.2
382.22906	6.7
383.24210	100.0
384.24609	3.5
479.29742	5.1
573.34247	2.2
597.37811	2.9
671.41431	11.5
689.42474	54.7
690.42590	5.2
724.39429	4.0
725.39508	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.01869	16.2
55.05504	42.9
57.03425	8.4
59.04993	2.7
65.03925	4.7
66.50078	1.7
67.05151	3.5
67.05496	46.7
67.47766	1.8
69.03419	6.0
69.07059	34.3
70.47108	1.8
71.04986	3.7
71.20400	2.3
79.05482	53.0
81.03406	13.9
81.07048	100.0
83.04974	18.4
83.08606	22.0
85.02909	3.1
85.06527	3.2
91.05463	44.5
93.07034	42.1
95.04951	25.4
95.08588	21.1
97.02908	3.3
97.06504	12.8
97.10156	29.4
99.00787	2.1
99.04451	2.3
104.42192	1.9
105.04522	3.8
105.07018	28.1
107.04929	18.6
107.08578	28.5
109.02885	6.1
109.06492	18.0
109.07078	1.6
109.10118	11.8
111.04430	15.6
111.08080	8.2
112.93159	1.9
115.05420	4.6
117.07015	17.3
119.04948	2.0
119.08556	32.6
121.06502	11.6
121.10140	15.3
123.08060	22.5
125.09621	22.8
128.06194	4.4
129.05530	1.9
129.07005	9.6
131.08549	18.8
133.06531	5.4
133.10107	19.6
135.08017	16.6
135.11661	11.7
137.09616	7.9
139.07552	2.7
141.06952	1.9
143.08556	10.7
145.06482	7.8
145.10097	17.2
147.08049	11.4
147.11668	7.6
149.09587	10.2
151.11177	3.1
153.09088	6.3
153.12746	7.8
155.08556	3.9
157.10086	9.0
159.08055	6.1
159.11681	6.1
161.09589	13.3
161.13280	2.1
163.07535	6.5
163.11145	17.2
165.09125	4.8
169.10188	2.9
171.10159	4.3
171.11536	3.4
173.09656	4.5
173.13226	2.3
175.11198	6.0
177.12791	4.5
179.10645	3.7
179.29187	1.8
181.12198	9.5
183.11670	2.0
189.11195	22.6
191.10704	8.4
193.12207	18.5
207.10100	2.1
213.16232	2.2
214.73152	1.8
215.82114	1.8
219.13902	1.9
223.13246	6.7
227.12740	20.3
242.51048	1.9
245.19072	5.0
249.14902	2.7
255.17435	4.2
261.18573	4.0
271.16870	4.2
273.18420	35.2
275.20117	2.3
283.15433	6.6
286.50262	2.2
289.17871	17.6
291.19507	68.6
292.19940	2.0
307.19000	7.1
309.20663	6.9
347.21970	12.4
363.21835	4.3
365.23190	28.9
381.22635	71.0
382.23190	3.5
383.24194	15.1
513.25922	2.0
527.33386	2.0
551.32013	1.8
573.33783	3.3
638.31836	3.7
653.39966	6.1
671.41467	23.8
689.42664	9.1
724.39417	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	726.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.7
53.03943	3.4
63.86234	0.5
68.97282	0.5
69.72650	2.0
69.79110	0.5
70.35496	0.5
72.61061	0.5
74.06087	1.1
77.03920	5.3
79.05468	1.1
84.39201	0.5
86.06039	0.7
91.05474	1.5
94.06545	0.6
95.04958	19.5
98.22681	0.5
99.51879	0.5
105.03381	100.0
105.04408	8.6
105.07019	1.3
106.03725	1.4
110.05982	0.6
128.06175	0.8
129.06969	0.8
131.08510	1.2
134.09599	0.6
136.07520	0.7
143.08565	1.4
144.08078	0.9
145.08899	0.6
146.09579	0.8
147.08018	0.8
155.08582	2.5
157.08893	2.3
158.09647	4.9
159.08084	0.8
160.07574	0.8
167.08530	1.1
169.10204	0.6
174.09161	1.6
178.07782	1.2
179.08548	1.9
181.10185	1.2
192.09302	2.8
193.10143	2.2
195.08090	0.6
196.11200	0.6
197.09692	0.5
203.08675	1.2
205.10132	1.9
206.10919	1.0
207.11705	3.1
208.11192	1.0
216.09245	0.6
217.10144	1.2
218.10927	2.1
219.11650	2.8
221.13394	1.2
230.10945	0.7
231.11815	1.4
233.13223	3.2
234.12878	0.6
235.14917	1.0
243.11740	2.1
246.10480	0.9
248.14282	0.8
249.12767	1.6
258.12949	0.8
259.13586	1.0
261.12686	1.0
264.17422	0.6
274.15863	5.8
276.13824	0.6
290.15213	1.1
292.16895	5.6
302.15445	1.3
308.16751	0.7
310.18018	1.7
320.16397	3.5
334.17920	1.2
334.86011	0.7
338.17560	1.6
352.18997	1.3
380.18466	1.9
394.20386	1.1
398.19745	1.3
414.20889	0.7
437.37601	0.6
440.20679	1.5
502.22281	1.2
516.23767	0.7
562.24500	0.9
604.25262	4.5
666.27051	2.3
726.28973	92.7
727.29297	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	726.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01866	3.0
55.05503	9.9
55.79184	0.8
57.03437	5.7
58.06586	1.2
59.43375	0.8
61.02923	6.3
61.30793	0.8
61.92023	0.7
65.94028	0.8
67.05499	23.7
67.05861	1.5
69.03425	3.0
69.07059	13.9
71.04990	3.3
71.07166	0.8
73.02921	1.9
77.03950	1.2
78.79005	0.9
79.05484	22.6
81.03402	6.7
81.07048	55.7
82.07387	1.0
83.04989	3.5
83.08617	8.8
85.02897	7.5
85.06530	1.4
91.03951	5.5
91.04476	0.9
91.05473	15.3
92.05856	0.8
93.07034	15.9
95.04962	10.0
95.08596	13.8
97.02872	4.3
97.06504	4.8
97.10146	1.8
99.04452	0.9
99.08089	1.8
101.06026	1.2
105.03369	5.1
105.07014	17.0
107.04941	6.3
107.08581	12.6
109.05769	1.2
109.06512	21.5
109.07217	1.8
109.10149	6.0
111.04449	1.2
111.08080	6.3
117.07021	3.9
118.38009	0.9
119.08572	14.6
121.06504	3.6
121.10125	6.7
123.08074	4.1
123.11712	3.3
125.09643	2.2
127.03965	2.4
128.06232	1.0
129.07010	2.5
131.08556	10.4
132.08878	1.0
133.10118	11.1
135.08044	3.3
135.11670	4.7
137.09651	2.1
141.09122	1.1
145.04909	2.2
145.06474	1.5
145.10094	8.7
146.10477	1.1
147.08057	2.6
147.11670	11.9
149.09601	3.9
149.13202	5.4
151.11259	1.2
155.08566	1.6
157.10135	3.1
159.11653	6.4
161.13275	2.5
163.05971	2.0
163.11139	4.7
163.14751	1.0
165.12793	2.8
169.10143	1.2
171.11688	1.9
173.09604	1.4
173.13275	3.3
175.11174	1.8
175.28966	1.0
177.12798	1.5
179.14359	0.9
187.14705	1.1
193.12247	2.5
194.40927	1.0
201.12836	1.3
211.13071	0.9
229.19539	1.2
239.18018	1.2
247.20567	2.8
255.15712	1.5
257.18933	2.7
267.15964	3.0
268.16339	1.0
269.17270	2.1
275.20020	24.4
275.22913	1.8
285.16537	1.0
293.21149	5.2
349.23703	64.1
350.24103	2.2
365.99191	1.0
367.24750	100.0
368.25134	4.0
375.10345	2.0
414.05194	0.9
461.27829	1.2
493.27826	1.0
511.28723	5.1
529.29761	3.6
644.30688	4.0
645.29510	1.0
691.34515	1.0
726.28790	3.5
727.31232	3.5
728.28870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01852	2.5
55.05505	12.1
56.67347	0.7
57.03445	4.1
60.51927	0.8
61.02917	5.5
61.71422	0.9
67.05500	17.6
69.03417	3.5
69.07061	6.9
69.20964	1.5
69.21360	2.6
71.04966	1.8
73.02909	2.2
79.05485	16.3
81.03411	8.3
81.06561	1.3
81.07043	21.7
83.04974	3.9
83.08612	11.6
85.02895	6.4
85.06544	1.0
91.03954	4.7
91.05466	14.8
93.07035	17.2
95.04405	1.3
95.04960	10.5
95.08588	11.8
97.02882	3.1
97.06539	3.9
97.10157	2.6
99.04409	1.0
99.08088	1.0
105.03381	4.6
105.07014	15.2
107.04933	6.0
107.08578	10.5
109.02886	1.2
109.06502	6.1
109.10145	7.9
111.04420	1.0
111.08072	3.8
117.07011	5.3
119.08567	13.2
121.06495	3.4
121.10136	6.7
123.08037	2.7
123.11693	2.6
125.09653	3.6
127.03898	2.7
129.06992	1.9
131.04929	0.9
131.08554	7.6
133.06442	1.0
133.10109	12.3
135.08038	3.0
135.11705	5.2
137.09596	3.2
139.11130	1.6
143.08577	1.4
145.04942	1.9
145.06503	0.8
145.10127	9.2
147.11658	5.7
149.09612	10.5
149.13208	1.5
151.11166	3.3
155.08531	0.8
157.10088	2.6
159.11655	5.2
161.09578	1.6
161.13243	1.9
163.05991	1.2
163.11166	9.8
164.11398	1.0
165.12730	1.8
169.10103	1.7
171.11682	2.8
172.86307	0.7
173.09648	0.9
173.11781	0.8
173.13225	1.8
175.11154	3.0
177.12741	2.6
183.11653	1.5
189.11150	0.9
189.12781	1.1
191.10661	1.1
191.14362	0.9
193.12218	2.2
197.13287	1.3
201.12680	0.9
205.12331	0.8
211.13272	1.8
213.16251	0.9
223.13303	1.1
229.19429	1.5
239.17902	2.0
247.20508	1.5
257.19019	3.8
267.15793	2.6
268.16257	1.2
275.20041	26.9
276.20407	1.5
283.15356	1.4
285.16809	1.0
293.21213	3.9
339.91406	0.8
349.23694	31.9
350.24094	1.7
367.24741	100.0
368.25031	5.7
372.36295	0.8
406.73148	1.0
421.25793	1.4
447.27151	1.8
461.28387	2.6
467.18768	1.1
478.28757	1.7
479.28882	2.7
488.60373	0.9
501.23370	0.8
511.28888	2.0
512.11334	0.9
529.30145	3.8
565.26196	1.0
666.25793	1.1
726.29938	3.0
727.34882	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
55.05509	14.6
57.03437	5.3
57.77481	1.1
58.06557	1.4
61.02906	3.2
67.05501	15.1
69.03410	1.9
69.07051	6.6
69.66608	1.9
71.04987	2.2
73.02901	1.3
79.05495	13.4
81.03410	4.7
81.07056	13.8
83.04984	6.8
83.08613	12.2
85.02899	5.6
85.06567	1.2
91.03951	2.1
91.05473	9.7
93.07036	12.3
95.04961	24.8
95.08585	9.2
97.02876	3.9
97.06490	1.0
97.10168	5.6
98.23460	1.9
99.04458	3.3
101.02357	1.1
105.03374	1.3
105.07018	10.2
107.04947	4.8
107.08588	12.0
109.02888	1.2
109.06499	3.6
109.10169	7.2
111.04421	7.9
111.08075	4.2
117.07007	4.1
119.08572	8.6
121.06487	3.6
121.10139	8.1
123.08054	1.9
123.11753	1.2
125.09641	4.8
127.03922	1.3
129.07004	1.5
131.08528	4.4
133.10094	6.9
135.08038	2.3
135.11664	3.3
136.69299	1.2
137.09599	1.8
137.30678	1.2
139.11185	1.2
143.08490	1.3
145.04936	1.1
145.06438	1.3
145.10127	9.0
147.08028	2.1
147.11664	4.6
149.09624	14.2
157.10132	1.8
159.11693	4.3
161.09627	2.1
163.11168	13.3
169.10072	1.2
173.13202	1.3
175.11137	1.0
181.12274	1.5
189.11192	3.4
193.12219	1.0
193.97705	1.1
205.12209	1.2
211.13397	1.5
223.13268	12.5
229.14301	1.7
239.17996	1.5
257.18991	2.8
267.15775	1.9
269.17395	2.0
275.20074	17.7
283.15472	1.4
293.20990	10.9
323.66971	1.4
340.15460	1.5
341.15897	1.1
349.23566	5.6
367.24759	100.0
368.25070	3.6
529.29602	4.2
644.30029	3.3
726.30688	2.1
727.31409	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	726.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01852	5.8
55.05503	38.7
57.03431	25.1
57.07070	6.1
61.02920	7.6
65.03917	5.1
67.05497	100.0
68.02302	2.8
69.03413	6.7
69.07054	23.6
71.04985	8.5
79.05485	98.1
79.05944	5.2
81.03407	14.1
81.07047	86.4
82.38992	3.6
83.04951	12.1
83.08605	18.9
85.02888	8.3
85.06534	5.5
85.38132	3.2
91.05470	51.1
93.06444	5.6
93.07030	98.7
93.07600	6.3
94.04156	3.0
95.04949	38.6
95.08607	47.2
97.02859	6.6
97.06520	7.5
97.10173	14.7
99.08117	4.4
103.05486	3.2
105.03387	10.5
105.04531	8.6
105.07024	35.9
107.04953	14.5
107.08580	38.9
109.06463	8.0
109.10139	29.7
111.08060	8.3
117.07016	26.9
119.08556	25.5
121.06501	9.9
121.09348	5.6
121.10125	42.3
123.08032	6.3
123.11699	6.4
125.09637	14.9
129.06946	5.3
131.08553	34.5
133.10109	23.5
135.08043	10.5
135.11694	25.9
137.09647	4.2
139.11176	3.5
141.06966	3.4
143.08517	5.7
145.10085	18.2
147.11649	12.5
149.09503	5.0
149.13239	12.8
151.11218	3.1
157.09993	4.4
159.11624	21.4
161.09500	3.4
161.13206	5.1
163.11156	8.9
169.10114	7.0
171.11682	3.9
173.13255	9.4
177.12695	4.9
181.12276	3.5
185.13229	3.8
187.11139	4.7
187.14841	3.2
189.11176	13.2
199.09677	6.0
205.19688	3.5
215.17902	24.2
223.13261	60.5
227.12781	10.3
229.14360	12.2
233.19032	16.7
235.98100	3.3
255.12306	6.6
275.20032	6.4
283.15286	4.0
297.16895	79.1
307.22656	97.6
308.23172	3.6
335.25787	7.1
349.23648	8.9
461.32562	6.4
496.08908	3.4
511.34537	5.3
529.35083	78.0
530.35437	9.3
619.41296	3.4
726.28607	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	726.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01868	6.2
55.05504	38.6
57.03438	14.4
61.02921	4.0
65.03937	5.7
67.05497	100.0
69.03416	9.7
69.07056	21.9
71.04987	8.9
71.08618	6.7
73.02901	3.1
79.05482	78.8
81.03400	15.1
81.07046	79.7
83.04967	12.7
83.08597	18.1
83.73458	2.7
85.02896	15.8
85.06525	8.0
91.05466	54.2
93.07035	71.3
95.04955	32.2
95.08595	40.7
97.02893	4.1
97.06520	10.2
97.10162	16.2
99.08063	6.7
105.03378	11.3
105.04520	3.8
105.07010	28.2
107.04960	11.9
107.08588	32.7
109.06506	7.2
109.10135	34.1
111.08055	5.7
117.07021	18.2
119.08578	22.8
119.40570	2.8
121.06503	5.3
121.10125	35.0
123.08082	8.6
123.11679	5.3
125.09631	12.8
129.07025	9.9
131.08548	19.0
133.10107	17.7
135.08032	5.7
135.11693	23.5
137.09613	4.8
141.06984	3.0
143.08527	4.7
145.10104	17.4
145.38947	2.7
147.07948	3.0
147.11668	11.3
149.09602	5.8
149.13260	10.8
151.11119	4.9
157.10143	5.5
159.11661	12.9
161.09645	2.9
163.11191	10.0
169.10181	3.0
171.11804	2.9
173.11766	6.4
173.13202	6.2
175.11226	3.9
177.12708	4.4
181.10153	3.2
181.12178	3.0
183.11774	4.1
184.07397	5.8
185.13239	3.2
187.11201	6.0
189.11205	11.3
193.12228	48.8
215.17984	9.4
223.13254	34.9
227.12724	11.1
229.14308	8.0
233.18947	10.0
261.27142	2.8
273.18423	7.9
275.20084	7.4
291.19482	16.7
293.21005	4.4
297.16937	49.4
301.09116	3.2
307.22623	98.1
308.22830	5.3
309.20166	4.0
349.23801	7.5
352.37836	3.3
365.23178	10.9
383.24234	14.7
461.32599	37.8
503.33661	3.4
511.33728	3.5
529.35156	42.9
530.35870	3.2
543.37354	3.8
673.42847	9.4
726.28168	8.0
726.43799	4.1
727.40234	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	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.8
55.01866	32.7
55.05253	4.4
55.05506	76.8
57.03427	26.0
57.07055	7.2
65.03937	7.2
67.05495	99.1
69.03415	13.4
69.07058	51.2
71.01349	7.1
71.04981	13.0
71.19978	4.6
74.16116	3.4
79.05484	86.9
81.03420	19.9
81.07047	94.7
83.04973	34.0
83.08607	45.1
85.02908	7.1
85.06534	6.3
91.05464	77.6
93.07033	78.5
95.01339	3.6
95.04958	100.0
95.08595	52.7
97.02883	12.3
97.06506	26.0
97.10154	28.0
99.04427	7.2
99.08086	5.9
105.03378	7.9
105.04504	3.6
105.07018	57.7
107.04938	33.6
107.08573	62.4
109.02837	3.2
109.06532	27.6
109.10153	42.6
111.04441	15.9
111.08052	11.5
111.42583	2.9
115.05384	3.4
116.04677	7.3
117.07006	25.5
119.04859	3.9
119.08562	50.5
121.06488	15.6
121.10115	36.2
122.07237	2.9
123.04453	7.1
123.08058	16.1
123.11678	6.5
125.09613	27.8
129.05452	24.0
129.06985	10.4
130.07796	3.3
131.08531	31.3
133.06490	5.5
133.10109	32.6
134.72229	2.9
135.08034	21.3
135.11650	22.7
136.49979	2.6
137.05965	3.9
137.09627	22.2
139.11154	6.2
141.06953	2.9
143.08562	11.2
145.06459	6.8
145.10117	32.5
145.89771	2.9
147.08044	13.1
147.11652	18.8
149.09612	28.5
149.13252	4.3
151.07455	4.4
151.11145	7.1
153.09058	9.7
153.12785	5.4
155.08531	5.5
155.10678	3.5
157.08592	10.7
157.10124	13.9
159.08028	3.9
159.11659	19.0
161.09624	11.6
161.13338	6.2
163.11163	42.6
165.09128	3.8
165.12704	8.0
169.10152	6.5
171.10187	7.8
171.11624	5.4
173.09579	7.5
173.11823	7.3
173.13222	6.7
175.11142	7.1
177.12738	7.2
179.10663	3.5
181.12224	3.4
183.11583	3.7
184.07291	6.3
185.13286	4.0
187.11183	5.1
189.09537	4.1
189.11206	19.1
189.12703	4.1
193.12219	25.4
199.11415	2.9
203.10387	3.3
205.12189	7.1
209.32506	2.9
211.13197	3.7
221.11729	5.2
223.13268	48.2
227.12791	9.4
229.14272	12.6
229.19443	5.1
239.17937	6.7
255.15709	5.3
257.19037	12.6
267.15790	5.0
273.18445	21.1
275.20016	78.6
276.20459	4.9
289.17975	13.3
291.19455	18.6
293.21054	40.0
294.72708	3.0
295.15482	4.6
307.18909	3.8
347.22128	9.4
349.23666	23.8
363.21634	4.6
365.23306	19.4
367.24670	36.7
381.22876	6.6
399.23706	38.0
503.33551	4.2
521.34143	5.2
529.35126	6.9
582.50574	3.7
616.53900	3.2
639.42334	8.6
657.43311	5.6
673.43188	7.4
691.43481	10.7
726.28516	7.8
727.40265	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	726.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01863	22.0
55.05499	50.7
55.05739	3.2
57.03425	10.7
57.07068	2.4
65.03951	4.0
67.05493	66.3
69.03428	6.3
69.07063	24.9
69.80634	5.0
69.81003	4.8
70.72578	2.0
71.04996	6.8
71.08621	13.2
79.05476	57.7
81.03413	17.1
81.07043	100.0
83.04975	20.9
83.08606	26.3
85.02905	6.4
85.06551	2.9
91.05466	49.6
91.06059	2.9
93.07027	57.9
93.07585	3.3
95.04955	35.3
95.08593	30.3
97.02893	3.4
97.06519	16.5
97.10154	28.7
99.00835	2.6
99.04440	3.9
99.08115	8.1
103.05515	1.9
105.03399	4.5
105.04556	3.0
105.07007	38.9
107.04939	20.2
107.08576	35.8
109.02902	4.9
109.06501	18.7
109.10139	21.3
110.08392	2.1
111.04422	14.0
111.08073	12.7
113.09520	2.0
115.05437	2.5
117.06993	19.3
119.04919	3.5
119.08552	33.0
119.09300	3.0
120.08955	3.4
121.06506	12.5
121.10123	21.4
123.04427	4.5
123.08041	23.7
125.09617	27.8
128.06236	3.2
129.07007	8.9
131.08545	17.0
133.06506	7.6
133.10098	25.2
135.08020	12.8
135.11665	17.8
137.09596	10.4
139.11188	5.5
142.85320	2.0
143.08588	7.0
145.06482	4.4
145.10100	21.8
147.07973	14.9
147.11702	11.4
149.09647	9.7
149.13268	2.2
151.11176	3.8
153.09166	5.9
153.12762	8.8
155.08571	2.4
157.10138	9.6
159.08041	4.5
159.11713	6.2
161.09589	16.9
161.13341	3.3
163.11153	25.8
165.09151	8.1
169.10228	1.9
169.12396	2.5
171.10245	4.4
171.11650	4.8
173.09653	5.1
175.11186	4.7
177.12773	5.1
179.10655	4.0
181.12239	9.7
184.07245	4.1
185.09589	3.0
185.13243	2.8
189.11172	21.3
189.12553	2.8
191.10645	10.1
193.12225	39.8
195.11661	2.5
209.11778	5.1
218.32561	2.3
223.13298	8.4
227.12708	26.5
245.19104	5.3
255.15689	4.2
255.17894	2.8
263.20035	5.1
273.18457	53.2
273.21353	3.9
275.20078	13.9
283.15512	7.0
289.17859	3.5
291.19492	85.1
293.20969	6.2
307.18857	2.5
309.17487	2.2
309.20499	11.0
323.20145	2.5
347.22070	8.9
349.23718	7.5
363.21518	2.5
365.23080	37.4
367.24719	3.4
381.22562	4.2
383.24216	79.2
384.24561	5.4
529.27625	3.4
529.35046	20.3
535.32080	3.1
557.34460	3.2
599.39362	3.7
637.41156	2.5
655.41833	9.1
673.42926	25.4
691.43732	13.6
726.28430	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	726.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
53.87254	4.0
55.01865	19.0
55.05504	70.9
57.03425	19.9
67.05500	72.3
69.03416	8.5
69.07055	33.3
71.04996	5.2
71.08628	14.9
75.46087	4.9
78.27084	4.0
79.05475	81.3
81.03407	17.4
81.07043	86.0
82.07417	4.5
83.04968	22.4
83.08598	36.1
91.05462	59.6
93.07037	61.4
95.04954	66.3
95.08611	28.7
97.02866	4.3
97.06517	16.5
97.10152	40.9
98.22591	8.0
99.08106	13.3
105.03390	35.1
105.04488	8.3
105.07005	39.4
107.04916	31.3
107.08582	46.7
109.02856	10.6
109.06506	20.4
109.10176	21.4
111.04421	14.5
111.08060	13.5
117.06985	24.7
119.08569	31.3
121.06477	14.5
121.10129	17.5
123.08050	12.0
124.67356	4.7
125.09621	30.7
129.07042	7.1
131.08539	21.6
133.06448	7.1
133.10112	27.8
135.08022	15.9
135.11667	17.5
137.09584	11.6
143.08546	8.1
145.06465	6.6
145.10097	26.0
147.08032	12.4
147.11734	11.9
149.09581	14.4
149.12067	4.5
149.13249	7.6
151.11168	11.1
153.09081	8.8
155.08475	5.6
157.10129	6.5
159.08058	10.2
159.11620	4.5
161.09612	16.3
163.07501	8.8
163.11176	34.5
165.12737	7.8
169.10127	5.6
171.11705	4.8
173.09579	7.7
177.12631	10.8
179.10715	6.0
181.74097	4.5
189.11217	31.3
189.12718	6.4
191.14325	5.3
193.12212	24.2
195.13846	10.4
196.91461	5.9
219.17488	11.6
223.13303	13.4
227.12764	30.0
247.20351	4.8
255.15822	8.6
257.18976	6.7
261.18304	6.2
269.61987	4.9
271.16928	8.0
275.20010	57.2
283.15411	5.9
289.17963	30.1
291.19360	7.8
293.21036	100.0
307.19183	9.6
311.22153	6.2
349.23941	23.7
367.24789	58.2
381.22696	77.7
385.25705	19.7
529.35297	23.8
570.87756	5.1
575.35535	5.2
576.55737	5.5
637.41077	5.1
655.41046	14.3
673.43042	34.8
691.43524	15.4
726.28387	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	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01865	16.0
55.05502	36.2
57.03425	6.4
57.07078	2.4
61.02887	2.1
65.03915	4.2
67.05156	3.2
67.05497	52.6
69.03407	3.1
69.07068	24.1
70.18454	3.5
71.04987	2.9
76.90482	1.6
79.05480	57.3
81.03410	11.6
81.07046	97.8
83.04971	18.3
83.08611	15.9
85.02902	5.3
85.06519	2.2
91.05468	38.5
93.07030	35.9
95.04958	28.9
95.08589	23.4
97.02879	2.3
97.06519	12.1
97.10155	28.3
98.23608	1.8
99.04433	2.4
99.08096	2.5
105.03384	20.6
105.04496	4.9
105.07014	27.7
107.04939	19.7
107.08578	28.6
109.06495	17.3
109.10129	15.4
111.04419	16.7
111.08025	11.4
115.05414	2.2
117.07034	12.7
119.08563	33.7
121.06484	13.4
121.10139	15.1
123.07242	3.0
123.08052	31.1
125.09607	23.9
128.06194	3.1
129.06995	11.8
131.08525	16.1
133.06512	6.6
133.10103	13.4
135.08034	12.5
135.11682	14.1
137.09590	6.2
142.07704	3.2
143.08543	7.0
145.06468	2.2
145.10085	20.9
147.08012	13.2
147.11682	6.6
149.09561	11.9
149.13226	2.1
153.09084	4.8
153.12679	7.6
155.08478	3.0
157.10085	6.8
159.07999	3.1
159.11668	7.1
161.09587	12.1
163.11156	22.2
165.09088	8.2
165.12764	3.1
169.10065	2.2
171.10182	3.6
171.11594	4.3
173.09589	6.7
173.13237	2.1
175.11148	6.2
177.12756	3.6
181.12201	10.0
185.13266	5.1
187.11285	3.1
189.11177	26.8
189.12762	4.3
191.10648	9.5
193.12195	3.9
199.11076	2.2
205.12131	2.6
223.13245	7.3
227.12743	20.5
227.17867	2.3
245.18915	4.3
255.17358	5.5
263.20059	2.7
273.18451	53.0
274.19250	2.0
275.19910	3.8
283.15268	2.6
291.19504	100.0
293.21136	2.3
295.17413	1.9
309.20697	10.4
320.47266	2.0
329.20853	2.9
347.22128	20.2
365.23181	48.7
383.24313	22.1
493.29645	2.0
529.31598	3.5
535.32770	2.8
637.40387	7.0
655.41840	14.3
673.42596	10.6
691.43427	4.3
726.28320	15.0
726.40411	11.7
727.29974	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	727.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.03266	0.5
55.01860	0.9
55.05505	1.2
57.03426	1.4
59.04984	0.6
61.02921	4.2
61.40554	0.4
63.63428	0.4
65.03909	0.5
67.05507	2.2
69.03416	2.8
71.01334	0.7
71.04984	1.9
73.02901	2.4
74.02905	0.4
79.05477	2.9
81.03405	4.7
81.07050	2.2
83.04975	1.5
83.08619	0.6
85.02898	4.3
85.06550	0.6
87.04454	1.0
91.03951	2.6
91.05482	2.4
93.07024	3.1
95.04948	2.0
95.08590	0.8
97.02885	3.8
97.06554	0.5
99.04446	1.2
100.41481	0.4
101.02380	2.0
103.03991	0.5
105.03384	4.9
105.07046	1.7
107.04929	0.6
107.08609	1.7
109.02890	0.6
109.10137	0.8
115.03938	0.5
117.07073	0.5
119.08572	1.3
121.10107	2.2
127.03935	1.7
129.06999	0.9
131.08525	0.7
133.10170	0.7
135.11720	1.2
145.10136	1.2
147.05669	0.5
147.11688	1.3
149.09644	1.5
157.08902	0.7
157.10136	0.5
163.11208	1.7
169.39912	0.4
185.55663	0.4
193.12262	1.1
194.98016	0.4
203.05396	0.5
243.08302	2.1
267.15823	1.0
271.75497	0.4
283.15176	3.3
310.46240	0.5
332.14417	0.5
339.17685	0.6
429.14758	0.5
467.18826	7.0
501.23029	8.7
599.50641	0.6
727.34985	100.0
728.36407	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	727.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18897	0.8
52.99053	1.0
53.03939	1.0
55.01865	2.4
55.05502	6.3
57.03428	1.3
65.03931	1.0
67.05486	11.5
68.05830	1.0
69.03439	0.9
69.07074	6.0
79.05479	10.6
81.03420	2.3
81.07044	11.5
82.07346	0.9
83.04990	2.8
83.08621	3.8
83.18010	0.8
91.05479	8.3
93.07030	8.4
95.04943	5.9
95.08597	4.8
97.02880	1.3
97.06529	2.5
97.10161	2.6
104.10775	1.0
105.07020	5.2
107.04953	3.3
107.08566	6.1
109.06509	2.8
109.10170	3.7
111.04421	1.2
111.08073	2.7
117.07042	2.5
119.08594	4.1
121.06480	0.9
121.10159	3.1
123.08151	1.2
125.09639	2.0
129.07086	0.9
131.08597	2.9
133.06473	1.2
133.10138	2.9
135.08037	1.5
135.11679	1.5
137.09633	1.4
145.10138	3.3
147.11714	1.2
149.09642	2.5
149.13319	0.9
150.09979	1.0
163.11185	2.4
184.07393	1.2
186.87671	0.9
189.11356	1.1
223.13367	1.1
224.13594	0.9
229.14464	2.4
267.15958	1.3
269.17407	0.9
273.43024	1.0
275.20181	3.1
276.20615	1.9
293.21124	1.2
347.18301	6.2
349.23883	1.8
382.71738	1.1
403.20795	7.1
562.38135	2.3
626.66418	1.0
727.40155	100.0
728.40790	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	728.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.2
53.03729	0.3
53.03941	3.9
53.24530	0.3
55.01861	0.6
55.05509	0.3
58.06583	0.4
61.02927	0.3
67.05483	0.8
69.03417	0.3
72.04518	0.7
74.06036	0.6
77.03916	3.7
79.05474	0.7
81.03425	0.9
81.07047	0.7
82.06561	0.4
84.04489	0.3
85.02892	0.4
85.10165	0.4
86.98394	0.3
91.05474	2.4
93.07040	0.8
94.06558	0.8
95.04952	21.5
95.08611	0.3
96.08117	0.4
98.22668	0.5
105.03375	100.0
105.04399	8.1
105.07008	2.5
106.03681	1.7
107.04933	0.4
108.08108	1.4
109.10162	0.4
110.06045	1.5
112.07558	0.6
115.05429	0.6
117.06990	0.8
118.06531	0.6
119.04921	1.1
119.08582	0.7
120.08105	0.5
121.06493	0.4
122.06003	0.6
124.07578	0.9
129.06985	1.2
131.04872	0.3
131.08545	1.0
132.08081	1.2
133.06435	0.8
134.05959	0.4
134.09682	0.6
134.74640	0.3
136.07558	1.0
136.37772	0.3
138.05501	0.4
141.06966	0.7
143.08556	0.9
144.08067	1.2
145.06445	1.6
145.08844	0.6
145.10014	0.3
146.09639	1.4
147.08014	0.9
148.07539	1.4
148.11232	0.3
149.05952	0.7
150.05550	0.6
152.07060	1.0
155.08478	1.7
157.08868	2.3
158.09662	1.3
159.06750	0.3
159.08008	0.7
160.07544	6.5
160.11235	0.4
161.08215	0.5
162.09093	1.5
165.07045	0.9
166.07738	0.4
167.08533	0.9
169.06476	0.3
169.10124	0.4
170.09637	0.5
171.08130	0.3
172.07602	0.7
173.08344	1.9
174.09120	2.5
175.07562	0.7
175.09825	0.5
176.07053	0.7
176.10669	1.3
178.07770	1.1
179.08536	1.6
180.09291	0.5
181.08763	0.4
181.10083	1.5
184.07555	0.3
184.11275	0.4
186.09187	0.6
188.10757	0.7
190.12103	0.4
191.08582	0.7
192.09222	1.6
193.10097	2.4
195.07986	0.8
195.11699	0.9
196.11224	0.4
198.09103	0.5
200.10715	0.4
203.08604	1.1
204.09882	0.9
205.10158	1.0
206.10831	0.4
207.11774	1.9
208.11098	0.4
209.09630	0.6
209.11620	0.4
210.12659	0.4
212.10701	0.5
215.08606	0.6
216.09442	0.8
217.10152	1.0
219.08211	0.4
219.11835	1.3
220.08907	0.6
221.09613	0.8
222.12805	0.3
223.11194	0.6
224.10814	0.5
231.11673	1.5
232.11218	0.5
233.09639	0.7
234.10730	0.3
234.12718	1.5
235.11195	1.1
237.12769	0.7
245.09558	0.4
246.12767	0.4
247.11241	0.5
247.13588	0.6
248.14343	0.7
249.12724	0.8
250.12227	0.5
252.13878	0.6
252.17513	0.3
259.11246	0.5
260.14481	0.3
262.12280	0.7
262.15903	0.7
263.10611	0.5
264.13800	0.7
265.14661	0.4
266.15451	0.5
272.14340	0.4
275.13107	0.5
276.13864	1.1
278.12048	0.4
278.15366	0.9
280.13342	0.4
280.16843	0.6
284.16669	0.3
288.13977	0.5
290.12433	0.3
290.15231	1.3
292.13504	0.5
294.14880	2.3
295.22629	0.7
306.14926	0.5
308.16354	2.4
312.15936	0.5
318.15033	0.7
322.14407	1.2
336.15805	1.9
340.15515	1.3
354.16980	2.0
369.26160	1.5
382.16409	0.4
396.22177	0.3
400.17618	1.0
416.18396	0.4
424.21207	0.3
430.20581	0.3
444.17899	0.5
458.19589	0.8
484.23947	0.4
504.20096	0.6
518.21582	0.4
546.25024	0.4
580.23523	0.6
606.26141	1.7
626.23615	0.3
668.26617	0.6
727.33893	0.6
728.29114	62.9
729.29138	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	728.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.1
53.03939	4.5
55.01869	1.6
57.03426	1.5
61.02919	2.8
65.73004	0.7
67.05489	2.7
69.03413	2.5
69.07060	1.0
71.04977	1.9
73.02904	1.6
77.03915	2.7
77.60548	0.7
79.05492	1.4
81.03411	3.8
81.07046	2.5
85.02928	4.4
88.55188	0.6
91.03948	1.4
91.05471	2.7
93.07037	2.3
94.06543	0.8
95.04958	22.4
95.08585	0.9
97.02876	2.9
98.06057	0.7
99.04466	1.0
102.86892	0.7
105.03381	100.0
105.04401	7.5
105.07013	3.2
106.03736	1.9
107.04938	1.7
108.08131	1.0
109.02867	0.8
109.10105	0.9
110.06045	2.2
117.06998	1.3
119.04906	1.2
119.08563	1.6
120.04388	1.0
121.10156	0.9
124.07605	1.1
125.57896	0.7
127.03815	0.7
129.07001	1.4
129.51350	0.7
131.08556	1.6
136.07634	1.1
143.08551	1.5
144.08049	0.8
145.10135	1.0
146.09612	1.3
147.07996	0.8
147.11685	0.8
148.07582	0.9
149.09561	0.9
152.07018	0.9
155.08548	2.3
157.08853	1.2
160.07576	3.0
166.04993	18.8
167.05333	6.4
169.03635	3.5
170.04115	1.3
170.36316	0.7
173.08347	1.8
174.09109	2.0
175.07536	0.9
176.07056	1.1
176.10602	0.8
178.07686	1.2
179.08542	1.7
181.10156	1.2
192.09186	1.5
193.10104	2.4
194.03253	1.0
195.11725	0.9
198.07581	6.6
199.07875	2.0
207.08022	1.0
207.11603	1.9
208.08777	0.9
208.11150	0.8
209.05559	2.8
209.09601	1.2
210.05878	1.1
212.10573	0.8
217.10083	1.0
218.07127	0.7
219.08047	1.5
219.11743	0.9
220.08795	1.7
221.09456	2.2
221.13452	0.7
223.11198	1.6
224.08232	0.8
231.11642	1.2
233.09676	0.9
234.12737	1.7
235.07533	1.6
235.11261	0.9
236.08240	3.3
237.08830	3.3
239.10701	1.2
243.08391	1.2
247.07336	1.3
248.07962	0.9
248.14334	1.0
249.09039	1.5
250.09657	0.9
250.12433	0.8
251.10565	3.6
252.11095	3.6
252.13409	0.9
254.08997	1.0
255.09734	1.0
262.09659	1.1
263.06989	0.7
263.10364	1.2
264.07724	1.4
264.10706	0.9
265.08316	1.1
266.09033	1.4
267.10004	1.5
268.10440	1.4
277.08453	0.9
278.09088	1.7
279.10068	8.1
280.10501	7.4
281.08246	1.3
281.11661	4.8
282.08923	1.3
282.12036	4.0
283.15231	1.5
290.15305	1.6
292.10648	0.9
293.11615	8.0
294.12219	18.3
294.14551	1.7
295.09543	6.3
295.12830	14.7
295.15332	0.5
296.09894	6.1
297.11063	2.9
298.11835	1.6
304.09601	1.8
305.10049	1.1
308.16492	1.0
309.07465	1.0
310.11951	6.4
311.12210	6.4
322.14401	2.0
323.12729	0.9
324.13168	1.7
325.14313	6.4
326.14691	9.2
336.15738	1.3
337.13028	2.5
338.10135	2.9
338.13379	3.0
339.10474	3.5
350.13654	2.0
351.14185	2.2
353.12421	1.7
354.12897	1.2
354.16626	1.4
368.14886	17.8
369.15237	21.2
369.25885	1.0
400.17374	1.3
433.80676	0.7
458.19754	1.3
462.18985	1.1
467.18924	2.3
468.19266	2.3
501.16168	2.0
501.22855	1.6
502.16980	3.9
502.23294	1.5
534.19470	2.6
606.23090	1.4
727.35211	11.5
728.27722	51.5
729.27600	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	728.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.9
53.03724	0.3
53.03941	3.1
55.01857	0.3
56.05006	0.2
57.03421	0.5
58.06593	18.2
65.03940	1.3
69.03423	4.1
71.04986	0.6
73.02881	0.3
77.03921	2.8
79.05479	2.7
81.03406	9.9
85.02900	4.6
91.05470	18.6
92.05824	0.3
95.04956	15.6
97.02878	5.1
99.04449	1.4
103.05464	0.3
105.03379	100.0
105.04390	5.5
106.03690	1.6
109.02168	0.5
109.02863	6.1
109.06554	0.3
119.04926	13.8
123.04417	5.2
123.08073	0.6
127.03898	5.5
127.04738	0.5
134.93597	0.2
136.05199	2.1
137.05992	1.4
145.04901	1.7
145.05934	0.2
151.07521	51.1
151.89256	0.2
152.07852	1.0
171.57828	0.3
181.71849	0.3
194.11752	0.5
195.06511	0.5
196.13304	38.1
197.13615	0.8
231.06505	1.5
249.07556	11.6
250.08041	0.3
267.08600	8.0
303.49091	0.2
321.18042	0.3
376.20886	0.3
462.21109	4.2
463.21536	0.3
554.13055	0.3
683.85931	0.3
728.28992	27.4
729.29095	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	728.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.8
53.03945	3.4
55.01867	0.7
67.38475	0.5
69.15039	2.2
72.04533	0.4
74.85560	0.4
77.03925	3.6
79.05476	1.1
87.05198	0.5
89.13097	0.5
91.05479	2.0
94.06551	0.8
95.04958	22.3
96.08100	0.8
98.23527	0.9
105.03381	100.0
105.04408	8.7
105.06981	2.3
106.03691	2.5
107.04889	0.6
108.08105	1.2
110.06051	1.5
115.05418	0.5
117.07018	1.6
119.04969	1.0
119.08550	0.7
121.06532	0.7
124.07587	0.7
129.06992	1.0
131.04950	1.0
131.07224	0.5
131.08559	1.2
132.08104	1.0
133.06516	0.9
134.05992	0.6
134.09627	1.1
136.07558	0.6
138.05510	0.8
141.06955	0.6
143.08586	1.0
144.08052	1.0
145.06483	2.2
145.08910	0.5
146.09608	1.0
147.06857	0.6
147.08063	0.9
148.07579	0.9
152.07072	1.3
155.08577	1.3
157.08844	2.2
158.09633	1.2
160.07561	6.6
162.09151	1.4
164.53079	0.5
165.06985	0.8
167.08592	1.1
169.06419	0.6
170.09683	0.5
172.07594	1.3
173.08354	2.1
174.09160	2.7
175.07550	1.6
176.07007	0.7
176.10730	0.9
178.07689	0.8
179.08554	1.6
181.10167	1.3
183.08142	0.5
183.10495	0.5
188.10741	1.2
188.24644	0.6
192.09285	1.2
193.10159	2.0
195.08115	0.5
195.11752	0.8
196.11319	0.5
198.09131	1.1
200.10869	0.5
203.08617	1.0
204.09920	0.7
205.10089	0.8
207.11711	1.4
209.09583	1.0
212.10724	0.5
216.09499	1.0
217.10092	0.7
219.08167	0.5
219.11766	1.4
221.09605	0.7
221.13235	0.6
224.14313	0.5
231.11769	1.0
232.08932	0.5
234.12848	1.1
235.11200	0.9
237.12906	0.6
245.09503	0.5
248.14240	0.9
250.12228	0.6
262.16177	0.4
263.10663	0.5
264.13959	0.8
266.15451	0.5
274.12314	0.7
275.13464	0.6
276.13882	1.1
278.15405	1.1
280.16913	1.0
290.15582	1.7
294.14749	2.3
306.14981	1.1
308.16574	2.1
312.16016	0.6
318.14914	0.5
322.14432	1.3
327.99094	0.6
333.77884	0.5
336.16092	2.1
340.15698	0.8
354.16983	1.5
354.42249	0.5
369.26389	0.9
458.19702	0.9
484.23300	0.7
504.20184	0.6
580.23328	1.1
606.26233	2.1
668.25525	0.7
728.29669	66.0
729.29364	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	728.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.9
53.03940	2.4
55.01871	0.5
58.06578	0.4
67.33978	0.4
69.03425	0.4
69.15293	2.5
69.15681	0.7
70.06570	0.4
71.04990	0.6
71.18762	0.4
72.91264	0.5
73.88508	0.4
77.03912	3.9
79.05482	1.3
80.05004	0.4
81.07062	0.6
82.06523	0.8
91.05479	2.2
93.07046	0.7
94.06549	1.2
95.04955	16.1
96.08106	1.3
105.03378	80.9
105.04404	6.7
105.07001	2.0
106.03726	1.4
107.07291	0.6
108.08109	1.4
110.06023	1.5
115.05455	1.0
117.07016	1.3
118.14638	0.4
119.04929	1.9
119.08592	0.7
120.08097	0.6
121.06496	1.0
122.05958	0.6
122.52615	0.4
124.07579	5.4
129.07016	1.0
131.07341	0.6
131.08565	0.5
132.08043	0.8
133.06491	1.1
134.09613	1.0
135.04457	0.5
135.07997	0.5
136.07582	1.0
141.06987	0.7
143.08527	0.9
144.08061	1.4
145.06482	2.0
145.08844	0.6
146.09618	2.5
147.06783	0.8
147.07968	0.6
148.07559	1.0
155.08556	1.0
157.08856	14.7
158.09621	2.0
160.07535	2.7
162.09109	1.4
164.10733	0.7
165.07018	0.6
166.08722	0.7
167.08563	1.2
169.10081	0.5
171.08008	0.5
172.07561	1.3
172.11217	0.5
173.08331	2.1
174.09143	6.8
176.10629	1.1
178.07751	0.6
179.08530	1.6
186.09125	0.6
188.10770	0.6
192.09233	0.4
193.10135	1.2
195.08078	0.7
196.11215	0.7
197.09758	0.5
198.09071	0.6
200.10741	0.5
202.07686	0.4
203.08551	0.8
204.09363	0.8
205.10152	1.0
206.10849	0.5
207.11755	1.2
209.09648	0.6
212.10661	0.7
215.08597	0.7
216.09361	1.1
217.10191	0.4
219.11708	1.5
221.09734	0.5
221.13266	0.6
223.11192	0.4
229.10112	0.5
231.08110	0.5
231.11697	0.9
233.09602	0.7
235.11261	0.6
237.12801	0.7
238.12253	0.5
244.13315	0.7
246.12782	0.9
247.11168	0.7
248.14337	0.6
259.11188	0.8
260.14590	0.7
262.12225	0.7
262.15997	0.8
264.13806	0.7
266.11771	0.6
268.92334	0.4
274.12292	0.9
275.13199	0.6
278.15436	1.6
280.17050	1.0
288.13867	1.7
290.15317	3.0
306.14951	1.5
307.15726	0.5
308.16510	2.4
318.14960	1.3
326.17520	1.3
336.15970	3.2
354.16965	1.6
396.17944	0.6
424.21487	1.1
440.18414	0.5
442.22284	1.6
458.19843	0.6
460.21304	0.6
467.19199	0.5
470.80399	0.4
484.23227	0.6
502.23538	0.7
518.21838	0.6
519.23187	0.6
546.24847	2.0
606.26917	5.4
710.29382	1.3
728.30450	100.0
729.30804	10.3
732.20795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	3.0
53.03930	2.3
55.01861	3.5
55.05504	22.0
57.03430	12.9
57.07056	2.4
59.04974	2.2
61.02921	4.9
65.03925	2.5
67.05496	46.8
69.03416	2.4
69.07058	8.2
71.01340	1.4
71.04978	3.2
72.96980	0.6
73.02884	1.8
77.03912	0.9
79.05483	46.0
81.03410	4.4
81.07046	46.3
82.07386	1.1
83.04971	4.0
83.08610	13.1
85.02901	5.1
85.06516	3.9
91.03924	1.3
91.05471	35.4
93.07032	52.4
94.07350	1.3
95.04956	9.2
95.08592	28.0
97.02883	6.6
97.06508	4.4
97.10158	2.3
98.22680	1.5
99.00800	18.0
99.01423	1.2
99.04480	1.0
99.08073	3.6
103.03332	0.6
103.05444	1.4
105.03379	0.8
105.04481	1.5
105.07016	25.7
105.07729	1.3
107.04935	4.3
107.08579	23.6
109.02865	9.5
109.06523	3.5
109.10142	14.9
111.04427	1.3
111.08087	4.4
113.05998	0.8
113.09633	1.3
115.03904	2.2
115.05424	0.8
115.32384	0.7
117.07008	7.5
119.08566	14.6
120.08849	0.8
121.06496	7.9
121.10129	20.3
123.04369	1.0
123.08051	3.2
123.11689	6.7
125.09583	2.0
127.03886	3.6
128.06216	1.4
129.05443	1.0
129.06976	1.5
131.08551	9.9
133.06473	0.9
133.10109	40.5
134.10478	1.3
135.08028	2.1
135.11671	21.6
137.05978	1.6
137.09589	1.7
137.13203	0.9
139.07526	2.9
143.08531	4.9
145.06461	1.1
145.10094	8.6
146.07263	0.8
147.08084	1.2
147.11685	5.7
149.09599	1.7
149.13245	7.9
151.11148	11.5
154.80672	0.7
157.10092	1.2
159.11664	5.1
161.05954	0.7
161.09602	17.7
161.13228	2.1
163.11189	2.1
165.08961	0.9
171.08022	3.3
171.11626	0.9
173.13266	6.3
175.14784	1.1
177.12631	0.7
179.10649	8.8
187.14752	1.3
189.09090	7.8
189.10985	1.2
189.16249	0.9
197.11786	3.1
205.19501	3.1
207.10162	2.8
215.17921	23.9
215.20016	1.4
216.18236	1.4
225.11186	13.4
227.12694	1.3
231.17412	0.8
233.18967	24.0
234.19298	1.5
243.12350	3.9
249.18361	0.9
274.56827	0.6
281.13779	3.5
283.15466	0.7
289.21576	1.9
299.14844	94.5
300.15186	4.2
307.22626	100.0
307.72229	0.6
308.22946	4.8
333.94946	0.6
393.27969	1.1
411.28986	1.1
421.27167	2.4
439.28418	3.7
457.29337	1.7
485.32193	1.5
487.34055	1.0
503.33490	1.1
513.32190	5.0
531.33087	41.2
532.33405	4.9
549.34216	1.4
729.27386	3.0
729.39026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01873	10.0
55.05504	55.0
57.03438	15.8
64.19696	4.3
65.03919	8.0
67.05496	79.1
69.03404	10.1
69.07063	42.0
71.04986	12.9
76.34805	4.4
79.05482	75.2
81.03403	13.4
81.06253	4.5
81.07044	100.0
81.07499	8.9
82.07410	4.9
83.04954	18.7
83.08607	45.8
85.02874	8.2
85.06509	4.7
86.09681	20.6
91.05468	68.5
93.07036	74.7
95.04950	69.3
95.08601	41.3
96.08937	4.3
97.06519	13.9
97.10153	12.0
99.04467	5.4
99.08089	4.2
105.07017	52.7
107.04946	19.9
107.08579	44.5
109.06508	15.2
109.10150	24.8
111.04448	6.7
111.08061	12.1
117.06993	24.3
119.08559	44.2
121.06491	13.9
121.10133	31.9
123.08051	16.3
125.00009	13.8
125.09641	16.1
129.06989	7.4
131.08556	36.6
133.10101	29.5
135.08012	12.1
135.11685	17.4
137.09590	7.3
143.08557	9.6
145.06415	4.5
145.10123	27.7
147.08067	13.0
147.11653	12.0
149.09595	34.5
151.11168	8.5
157.10045	5.8
157.19630	3.9
159.11710	12.3
161.09587	8.9
163.11136	27.7
165.12718	5.1
171.11652	8.4
173.13266	6.0
174.23286	4.8
175.11200	5.1
181.12062	4.6
184.07298	71.0
189.11208	13.9
223.13245	34.2
253.14336	9.0
257.19028	6.2
270.14456	4.6
271.15402	25.2
273.18475	17.0
275.20023	54.5
291.19540	23.9
293.21091	35.5
309.16138	5.9
320.49731	4.7
335.25800	29.2
347.22116	6.7
349.23804	24.0
367.24835	23.7
383.19632	22.6
401.20761	35.4
531.36530	18.9
657.39545	5.3
675.39874	17.0
693.40741	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	728.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01870	5.5
55.05504	15.6
57.03439	8.2
57.07079	2.0
58.49350	1.9
61.02929	3.7
62.22336	1.7
64.76815	1.7
65.03926	2.2
67.05496	65.6
69.03424	4.3
69.07061	15.7
71.04979	6.7
79.05485	31.6
81.03430	5.9
81.07050	53.6
83.04980	6.7
83.08619	7.0
85.02902	5.0
85.06523	3.4
91.05471	38.3
93.07039	29.5
95.04955	12.2
95.08599	26.1
96.08905	1.8
96.13757	1.8
97.02885	2.3
97.06538	4.9
97.10182	4.1
98.22629	4.2
99.04472	2.4
105.04501	2.8
105.07015	31.1
107.04961	2.7
107.08585	31.4
109.06532	6.2
109.10145	48.6
113.06012	2.6
117.07015	5.5
119.08553	10.7
121.10101	11.1
123.08076	4.0
123.11708	9.3
123.45549	1.9
127.07568	3.1
127.69077	1.8
131.08560	9.6
133.10115	42.4
135.08041	1.9
135.11662	9.8
145.10126	6.8
147.11691	5.5
149.09671	2.8
149.13243	4.1
151.11159	20.4
154.76173	2.2
159.11674	2.9
161.09596	3.8
163.11201	3.0
169.12274	4.0
171.11583	2.5
179.10707	2.2
184.07355	3.9
233.06509	1.9
253.14319	100.0
261.22025	14.1
271.15353	43.2
273.18423	3.2
275.20071	2.8
291.19473	2.7
293.21149	3.1
294.26166	1.8
335.25815	41.8
336.25967	2.1
457.33060	2.9
475.99670	2.1
513.35693	8.7
531.36755	41.5
532.37341	2.6
595.33807	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	728.493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82756	3.3
51.02378	2.9
52.16936	3.1
53.03936	4.5
54.21836	3.2
55.01877	17.4
55.05503	56.8
55.48545	3.7
57.03426	15.2
57.07058	3.8
61.66717	3.3
63.51959	3.0
67.05492	73.4
69.03419	10.1
69.07057	35.6
69.81365	3.6
69.81697	11.7
71.05012	9.1
71.08628	14.3
79.05482	66.6
81.03411	18.9
81.07045	100.0
81.07496	6.4
82.07407	4.6
83.01344	3.5
83.04971	19.2
83.08611	37.2
85.02895	9.7
85.06556	5.0
89.64288	3.7
91.05463	50.0
92.05763	4.3
93.07030	61.2
95.04955	47.0
95.08598	28.9
97.06535	13.3
97.10155	44.4
99.04455	3.7
99.08084	14.1
105.03357	3.6
105.07014	38.1
107.04944	28.6
107.08567	42.6
109.02835	4.0
109.06484	19.8
109.10159	18.0
111.04423	21.9
111.08056	9.2
117.06998	23.7
119.08562	29.8
121.06483	12.7
121.10128	19.6
123.08059	20.1
125.09599	37.1
129.07019	8.6
131.08530	22.7
133.10052	19.4
135.08060	13.7
135.11696	18.4
137.09636	10.2
143.08569	9.4
145.06396	4.2
145.10097	28.8
147.08058	13.7
147.11687	14.5
149.09578	11.6
149.13252	7.3
151.11201	5.4
153.09102	10.3
153.12726	5.1
155.08485	5.0
157.10146	8.3
159.11705	13.8
161.09575	17.7
163.11147	39.4
165.09016	4.0
171.11659	4.4
173.09477	7.3
175.11128	3.9
177.12761	8.2
181.12221	10.9
189.11230	32.4
191.10699	9.5
193.12247	7.1
195.13803	5.3
203.17970	3.4
223.13181	8.3
227.12672	29.1
233.19093	5.6
245.18976	4.3
247.20493	4.8
249.18634	6.2
252.59454	4.0
257.18945	6.7
273.18384	27.5
275.20044	34.1
283.15393	13.0
291.19504	61.8
292.19983	4.1
293.21033	62.2
293.23969	5.4
299.14899	6.0
307.22589	9.1
309.20624	5.3
311.22382	5.0
330.10016	3.2
347.22141	7.0
349.23654	15.1
365.23151	32.3
367.24860	30.2
381.22592	3.8
383.24228	13.6
385.25699	14.0
501.90399	3.5
531.32776	16.0
639.42126	10.6
657.43121	19.9
675.43976	10.0
729.38129	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
56.53548	1.0
57.03408	1.0
57.38416	1.1
58.87723	1.0
61.02889	3.0
67.05470	2.9
69.03398	2.2
73.02877	1.6
76.92419	1.1
79.05464	1.8
80.33622	1.1
81.07010	2.6
85.02872	3.5
91.05438	3.3
93.06990	2.0
95.04920	3.8
97.02875	1.9
97.06469	2.0
105.03385	7.8
105.06986	2.4
107.08575	1.4
131.08543	1.4
133.10033	1.3
147.11670	1.4
185.31258	1.0
187.34685	1.2
194.16490	1.1
197.68285	1.2
267.08987	1.6
285.09839	2.4
301.08823	1.6
317.06244	1.5
401.15387	2.5
431.77063	1.4
464.02731	1.2
469.20425	5.7
485.17685	2.1
501.22537	3.4
515.17902	1.6
543.25763	1.4
544.19440	6.2
557.19714	2.0
585.23486	1.6
627.27667	5.6
628.28052	6.7
639.28925	3.8
683.30988	3.2
711.30206	2.4
729.30536	100.0
730.30048	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	729.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01856	0.6
55.05508	1.3
57.03426	2.2
59.04996	1.0
61.02919	4.7
67.05502	3.6
69.03410	2.8
69.07058	0.8
71.01353	0.6
71.04987	1.4
73.02898	3.1
79.05470	2.9
79.60278	0.4
83.04967	1.4
83.08617	1.3
85.02893	5.1
85.06542	0.8
87.04472	1.0
89.68148	0.3
91.03945	2.6
91.05470	4.5
93.07044	2.6
95.04950	2.4
95.08636	1.2
97.02871	3.1
98.22724	1.2
99.04454	1.1
99.08112	0.4
101.02388	1.5
105.03384	1.8
105.07036	2.8
107.04942	0.9
107.08594	0.7
109.02874	0.9
109.06566	0.4
109.10168	0.6
111.08064	0.6
117.07014	0.5
119.08549	2.3
121.10104	2.2
123.08058	0.9
127.03909	1.3
129.07033	1.0
131.08575	1.8
133.10139	1.6
147.08049	0.5
147.11700	1.6
149.09644	1.7
157.10143	1.6
163.11243	0.4
165.12689	0.6
175.11198	1.4
185.04198	0.5
193.12241	2.0
203.05321	0.6
211.13315	0.8
225.15079	0.4
239.22795	0.3
243.08383	2.3
245.06874	0.4
251.12540	0.7
267.16064	0.9
283.15100	3.7
307.15244	0.6
316.30670	0.4
339.17740	0.7
469.20465	9.5
469.27066	0.6
501.22916	9.4
502.23187	0.8
639.29871	0.9
729.36536	100.0
730.37579	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	729.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01881	0.6
55.05503	1.1
57.03430	1.8
59.04994	0.7
61.02921	3.8
67.05498	2.7
69.03422	2.5
69.07069	0.9
71.04991	1.4
73.02914	3.2
76.92213	0.4
78.47639	0.4
79.05474	2.7
83.04996	1.1
83.08605	1.4
85.02898	5.8
85.06519	0.4
91.03958	2.6
91.05465	3.8
93.07050	2.1
95.04956	3.5
95.08625	1.6
97.02888	3.5
97.06538	0.6
98.99354	0.4
99.04442	0.7
101.02401	1.4
103.03942	0.6
105.03387	7.6
105.04525	0.7
105.07014	2.8
107.04964	0.9
107.08601	0.9
109.02892	0.9
109.06552	0.6
109.10188	0.4
111.08140	0.8
115.03905	0.4
119.08552	2.1
121.10158	1.8
123.11665	0.4
125.09544	0.6
127.03951	1.3
129.05487	0.3
129.06999	1.0
131.04852	0.4
131.08594	1.4
133.10181	1.6
134.62762	0.4
145.04935	0.4
147.08054	0.5
147.11711	2.1
149.09619	2.0
155.08571	0.4
157.10144	1.3
165.12778	0.5
175.11241	1.2
193.12289	1.5
193.14221	0.3
203.05264	0.5
211.13330	0.8
225.14900	1.0
243.08287	2.4
244.85840	0.4
247.89793	0.4
251.12492	0.7
253.14124	0.5
267.15921	0.4
278.15408	0.5
283.15106	3.1
285.17117	0.6
297.56262	0.5
339.17871	0.6
366.88522	0.4
374.09909	9.7
374.14478	0.6
375.10526	0.7
404.58524	0.4
469.20361	9.3
469.26324	0.7
470.20853	0.6
501.23022	9.0
520.21735	0.5
639.29846	2.1
656.43036	0.4
711.62354	0.4
729.36603	100.0
730.27661	4.2
730.37097	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	729.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67516	0.3
53.03940	0.4
55.01871	0.6
55.05496	2.0
56.11892	0.3
57.03435	0.7
59.57117	0.3
62.70658	0.3
67.05499	2.7
69.03411	0.3
69.07063	2.3
70.06612	0.3
79.05473	2.9
83.04987	0.8
83.08629	0.9
85.02907	0.3
91.05475	1.9
93.07043	2.4
95.04983	1.3
95.08607	1.1
97.06494	0.3
97.10176	1.4
103.50504	0.3
104.82858	0.3
105.07003	1.4
107.04922	0.6
107.08563	1.5
109.02869	0.4
109.10161	0.6
111.04472	0.7
117.06995	0.7
119.08591	0.9
121.06497	0.4
121.10175	0.8
123.08071	0.7
123.11701	0.3
125.09625	1.0
131.08528	0.6
133.10150	1.2
135.08038	0.7
135.11656	0.6
143.08604	0.3
145.10123	0.6
146.52554	0.3
147.11774	0.4
149.02339	0.9
149.09702	0.3
153.12737	0.4
161.09651	0.4
163.11194	0.4
190.67996	0.3
205.25868	0.3
284.29495	0.6
299.15045	0.3
301.16559	0.3
307.19550	0.3
307.22800	1.0
314.84579	0.3
317.13724	0.3
347.18228	2.5
349.19809	7.3
350.19897	0.4
389.89618	0.3
403.20956	1.9
405.22421	6.5
477.24936	0.4
523.31378	0.3
660.35052	0.4
729.41711	100.0
730.41968	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22633	1.0
55.01872	2.0
58.06593	1.4
61.02913	1.9
69.03416	4.1
70.03658	0.9
70.42425	2.0
79.05479	3.6
79.11210	1.0
81.03422	5.8
81.07043	1.4
85.02891	10.5
91.05471	3.4
93.03382	1.3
94.04157	1.4
95.04976	1.5
95.46031	1.1
97.02882	5.0
98.22747	1.2
103.05496	1.3
105.07021	3.2
107.04958	8.4
109.02805	1.2
109.06493	1.8
115.05457	8.5
117.07015	11.8
121.06523	1.3
122.03636	3.5
123.04446	1.8
123.91451	1.1
124.05190	1.3
125.05963	1.3
127.03897	3.5
128.06216	2.3
129.06987	7.7
131.04924	2.9
131.08485	2.6
133.06482	2.3
137.05959	70.5
138.06285	1.6
141.06927	2.1
143.04890	6.9
144.05681	4.7
145.02834	1.7
145.04994	1.8
145.06464	28.8
147.04407	1.9
147.08035	1.9
149.05957	2.1
151.03894	2.2
151.07585	1.4
152.04689	1.2
153.05392	1.2
155.06006	3.8
156.05673	5.9
157.06473	7.3
159.08025	5.2
160.05174	14.1
161.05980	5.8
161.07141	1.1
162.07622	1.7
163.06105	1.2
163.07565	1.7
167.07021	29.1
172.05194	2.4
173.05956	46.7
174.06613	2.5
175.07524	100.0
176.07848	2.4
177.05463	7.4
180.08647	3.3
181.08543	1.1
183.06494	2.0
187.07513	37.1
189.07076	1.4
189.09102	7.4
190.06221	18.8
191.07034	2.2
193.08598	2.3
199.07414	1.0
202.06171	3.4
202.85085	1.1
203.07011	5.2
205.08569	84.4
206.07173	1.2
206.08942	1.3
207.06635	1.7
211.07744	1.3
211.09647	4.2
215.06863	1.4
217.08565	38.5
218.07198	2.2
219.08083	1.8
219.10194	3.3
221.09543	1.8
223.09682	1.8
224.04607	1.1
233.09595	3.0
234.06511	1.7
235.09601	53.8
236.09966	2.3
239.07016	1.5
241.08620	3.2
247.09583	8.5
249.09128	4.3
251.06982	1.8
252.07881	1.5
260.08423	1.1
261.09137	5.6
263.06958	2.0
265.08582	1.8
265.10693	47.0
266.09000	1.1
269.08154	2.6
277.08591	4.1
278.09323	3.5
279.10007	1.4
280.10788	1.9
281.11737	2.7
285.07443	5.0
289.08478	1.2
292.07162	1.0
293.11688	4.1
294.08804	1.8
295.09708	1.2
297.11209	4.2
300.09885	7.9
301.10620	4.6
304.10764	1.4
306.08746	1.8
307.09534	1.7
309.11127	4.6
313.10715	2.4
321.11194	7.0
323.09167	2.0
326.11374	1.3
333.51077	1.0
338.11490	1.2
340.15543	1.8
341.13736	6.8
346.27582	1.2
347.27625	1.7
353.13919	15.9
371.14841	36.1
372.15152	1.6
450.56555	1.1
568.25226	4.2
600.44379	1.1
653.47333	1.1
730.28949	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	730.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.4
53.03929	2.0
55.01860	0.9
56.05033	0.6
58.06592	2.5
65.03943	0.6
67.05487	0.7
70.06577	1.7
71.04970	1.2
72.04517	0.5
74.06091	0.9
75.04462	1.1
77.03918	2.6
79.05486	1.4
81.07042	0.8
82.06570	0.6
84.08130	2.6
85.02896	1.3
86.06074	0.5
88.07625	4.2
91.05460	3.9
93.07048	0.7
94.06544	5.7
95.04959	9.6
96.08086	1.2
97.02882	0.5
97.06482	1.2
100.07572	1.0
103.05466	0.7
105.03377	67.4
105.04391	3.2
105.07015	1.9
106.03647	0.8
107.04942	0.7
107.07336	1.0
107.70466	0.5
108.08109	3.8
109.06496	0.8
110.09676	1.6
113.79016	0.5
114.09129	0.7
115.05457	1.3
117.07011	2.3
119.04921	1.0
120.08122	1.2
121.06520	1.5
121.08926	0.6
123.04447	0.7
123.08045	0.6
125.05993	0.8
126.09136	0.6
128.06212	1.1
129.06999	2.6
130.77930	0.5
131.04944	0.7
131.08572	2.8
132.08070	1.1
133.02783	0.6
133.06473	0.8
133.08838	0.8
134.09622	0.7
135.04376	0.6
137.06000	0.7
138.09158	1.2
140.10681	2.9
141.06979	1.5
143.08572	0.7
144.08073	0.6
145.06483	0.7
145.10118	1.2
146.03633	1.6
146.05948	0.8
146.09624	1.5
147.04385	3.5
147.08046	1.2
148.07573	1.2
149.09584	1.0
152.10780	0.6
153.06987	1.5
154.07837	0.7
155.08566	1.4
158.09653	1.3
159.08000	0.5
160.07556	2.0
160.11177	1.1
161.05865	1.1
163.11250	0.7
164.10735	2.2
165.07001	1.7
167.08508	1.5
169.10150	0.6
170.09660	1.0
172.11214	2.7
173.09631	1.2
174.05452	0.7
176.07066	0.8
177.05524	1.1
178.07735	1.0
178.12227	0.7
179.08600	1.4
181.10133	0.9
184.11072	1.1
186.12753	0.6
189.07799	1.4
190.08644	0.9
191.08562	1.2
192.09329	1.2
193.10159	1.7
194.07327	0.8
195.08195	0.7
197.09691	0.5
202.07774	1.3
203.08521	1.2
204.09349	1.1
205.10165	1.6
205.12263	1.0
206.15410	1.6
207.11743	1.3
209.09644	1.1
209.35585	0.5
217.10135	1.3
219.11731	1.2
220.08937	0.8
221.09758	0.8
223.96370	0.6
229.10196	0.6
233.09552	0.6
234.06639	0.6
235.07477	0.9
235.11182	1.8
237.09004	0.8
247.11301	0.8
250.12321	0.5
252.13844	0.6
263.10593	4.5
265.12186	0.8
266.15118	0.5
275.10623	0.9
278.15311	1.0
282.14896	1.3
282.18323	0.6
293.14200	0.8
294.12244	0.6
295.13199	1.2
296.16547	0.9
306.14890	1.3
310.14792	1.1
310.18054	3.4
314.21075	0.7
338.13391	1.3
338.17456	25.3
339.18051	1.4
342.16788	0.9
342.20593	8.0
370.20221	2.0
374.23318	2.1
432.21982	1.2
460.21170	1.4
464.24918	5.4
479.79617	0.6
492.23691	4.5
496.27756	4.8
524.26434	12.0
525.26910	0.8
556.28955	28.0
557.29419	2.2
686.31268	0.9
698.27307	1.0
730.30530	100.0
731.30884	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	730.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.5
51.55449	0.7
53.03948	2.0
55.01884	0.7
55.43611	0.7
56.05010	0.8
57.12124	0.6
58.06593	3.0
60.51950	0.7
61.39581	0.7
67.05524	1.0
69.90274	2.1
70.06582	2.1
71.04988	1.2
75.04473	1.6
77.03926	1.6
77.76330	0.6
79.05488	2.7
81.03397	1.2
84.08123	1.6
85.02898	1.1
86.09717	0.9
86.55493	0.8
88.07626	4.1
91.05455	4.8
94.06548	7.5
95.04955	10.3
97.02889	2.0
102.68337	0.8
103.13690	0.8
104.10724	1.3
105.03379	76.5
105.04398	3.6
105.07024	2.2
107.04868	0.8
107.07312	1.0
108.08099	3.9
110.09691	1.9
114.09219	0.8
117.07040	2.2
119.04962	1.3
119.08590	0.7
120.08101	2.3
121.06516	1.7
122.42780	0.9
123.04397	0.7
128.06194	1.6
128.68295	0.7
129.07024	2.2
131.04897	0.9
131.08562	1.8
132.08070	0.8
133.08958	1.3
133.10069	0.8
134.09645	1.0
137.05981	0.8
138.09064	0.9
140.10748	3.9
141.07039	1.2
143.08545	1.0
145.10165	0.9
146.03636	2.0
146.09752	1.0
147.04396	5.1
147.08015	1.4
148.07552	1.7
155.08492	1.1
158.09729	0.9
160.07555	1.3
160.11285	1.9
161.09648	0.8
164.10754	2.4
165.07059	1.4
167.08589	1.3
171.10510	0.8
172.11258	3.0
173.05975	0.8
174.05553	1.1
174.80559	1.0
177.05579	0.9
178.12251	0.8
179.08583	1.4
184.07364	1.5
186.12788	1.3
190.08614	0.8
192.09264	1.2
193.10236	1.4
202.07817	1.0
203.08519	1.6
204.09471	1.4
204.13786	0.9
205.10178	1.1
206.15465	1.1
217.10165	1.3
220.08788	1.5
223.11107	0.9
235.07484	1.0
235.11192	2.1
238.12282	1.3
248.08453	0.9
251.10349	0.9
263.10590	4.2
275.10681	1.5
278.15335	1.4
293.14066	1.1
294.14865	1.4
295.13123	1.3
296.16501	1.3
306.14914	1.7
310.17932	4.9
338.17429	32.4
339.17844	1.4
342.20633	7.8
347.17667	0.9
370.20261	1.0
371.15350	0.9
374.23279	2.5
432.21893	1.7
460.21347	2.4
464.25082	6.8
492.23941	4.8
496.27588	7.0
506.25897	1.0
524.26447	13.5
551.64044	0.8
556.20233	1.7
556.28979	36.0
557.29327	3.2
686.31451	5.8
730.30511	100.0
731.30792	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	730.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.7
52.42974	0.5
53.03934	1.8
56.05021	0.9
58.06586	2.7
67.05494	0.8
69.03407	0.6
69.07066	0.4
70.06577	1.4
71.04990	1.3
74.06076	0.8
75.04469	1.7
77.03925	1.9
78.50062	0.5
79.05486	1.5
81.03389	0.6
82.06599	0.6
84.08156	1.3
85.02884	0.6
88.07626	3.4
91.05473	3.4
93.07069	0.8
94.06557	4.9
95.04954	10.6
96.08111	0.5
97.02896	0.7
97.06523	1.2
97.15218	0.6
98.23526	1.1
105.03378	66.0
105.04525	4.2
105.07031	2.1
106.03719	0.7
107.04976	1.0
108.08101	2.5
108.11757	0.5
109.06527	1.0
110.09704	1.3
114.09187	0.8
115.05486	0.8
117.07043	2.4
119.04952	1.4
120.08101	1.5
121.06502	1.4
122.09690	0.5
123.04401	0.6
125.06025	0.5
126.09202	0.5
128.06218	0.9
129.07005	2.1
131.08559	2.0
132.08052	1.4
133.08887	0.7
134.09660	0.7
135.04352	0.7
137.05962	0.6
138.09175	1.2
140.10695	2.8
141.06995	1.1
143.07103	0.6
143.08559	1.4
144.08101	0.6
145.06482	0.7
145.10117	1.0
146.03632	1.3
146.05978	0.8
146.09659	1.6
147.04437	3.1
148.07570	1.0
149.09583	0.8
153.06953	1.3
155.08524	0.8
158.09657	0.9
159.07991	0.6
160.07617	1.5
160.11212	1.3
161.06079	0.9
161.09605	0.8
164.10678	1.3
165.07043	1.6
166.07782	0.8
167.08585	1.1
169.10199	0.8
170.09647	0.8
171.08076	0.7
172.11208	2.0
173.09587	1.0
174.05460	0.9
176.07077	0.9
177.05505	0.8
178.07800	1.1
179.08542	1.4
181.10115	0.6
182.09813	0.7
184.11206	0.9
186.12767	0.9
187.11101	0.7
189.07880	0.6
191.08604	1.6
192.09302	1.3
192.13873	0.5
193.08672	0.8
203.08574	1.1
204.09438	0.7
205.10149	1.1
205.12234	0.9
206.07410	0.7
206.15414	1.4
207.08211	0.9
207.11679	1.2
209.06023	0.6
217.10132	0.8
219.08168	0.8
219.11691	1.3
220.08961	0.7
221.09624	1.1
229.10220	0.6
235.07504	1.1
235.11206	1.0
236.14299	0.6
237.09209	0.8
247.07631	0.8
247.11249	0.9
248.08356	1.2
263.10559	3.3
278.15579	0.9
282.14935	0.9
291.43918	0.5
292.13428	0.9
295.12985	0.9
296.16498	0.8
306.14996	1.3
310.14630	1.0
310.17850	3.2
314.21188	1.4
332.18735	0.7
338.17450	25.0
339.17755	1.1
342.17050	1.0
342.20593	6.4
370.20212	1.4
374.23431	1.4
402.22940	0.8
432.22281	0.9
460.21216	1.7
464.24936	4.7
492.23746	4.3
496.27609	5.1
524.26355	12.4
525.26892	0.9
556.28967	27.4
557.29407	1.8
686.31555	1.0
698.28314	0.8
730.30524	100.0
731.30969	9.6
760.40088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	2.6
55.05503	14.0
56.67953	2.1
57.03436	3.0
57.07067	3.9
58.06584	8.8
58.73401	2.1
65.09383	2.2
67.05495	38.4
69.03407	5.1
69.07061	13.7
71.43922	2.2
79.05470	19.2
81.03413	7.9
81.07047	36.1
83.04963	3.4
83.08594	11.4
85.02878	7.2
91.05466	21.5
91.51966	2.2
93.07036	26.2
95.04947	10.4
95.08601	28.3
97.02856	10.3
97.06516	3.7
97.10152	4.8
103.05441	2.8
105.03362	9.7
105.07002	21.7
106.03697	2.8
106.96866	2.6
107.08588	33.7
109.02851	2.6
109.06490	4.7
109.10140	100.0
111.08039	4.5
111.27155	2.2
115.03874	2.3
115.05480	3.0
117.07005	5.4
119.04918	2.8
119.08563	36.6
121.06481	4.5
121.10134	23.4
123.08007	6.5
123.11700	43.4
127.03915	4.7
128.06206	2.7
129.06998	8.5
131.04997	2.4
131.08560	16.2
133.06537	2.4
133.10120	20.0
135.08049	9.1
135.11681	9.8
137.05951	4.6
143.08548	15.4
145.02867	3.1
145.10115	22.6
147.07980	5.5
147.11667	15.3
149.13243	8.5
151.07510	6.8
151.11177	2.3
155.08490	7.7
156.09314	3.3
157.10081	17.4
159.07986	4.1
159.11659	15.9
161.09573	4.5
161.13225	8.1
163.14745	4.0
169.08830	2.6
169.10094	12.7
170.10788	2.0
171.11647	12.9
173.09596	3.6
173.13272	8.1
177.05447	5.1
177.09071	2.3
181.10086	6.8
183.11690	9.2
185.13206	8.7
187.11162	5.3
187.14738	3.9
195.11603	4.3
196.13171	2.3
197.13290	11.4
199.11282	2.7
199.14781	7.8
207.11702	3.8
209.13341	5.8
211.14833	6.6
213.16412	4.0
215.18083	3.0
223.11122	2.7
223.14876	3.2
225.16307	4.4
235.14850	3.5
237.16422	3.1
239.17851	5.3
241.08324	2.7
251.17795	3.1
253.19548	3.7
267.20987	7.1
269.18954	3.6
305.19305	2.4
313.18124	3.5
313.21463	3.1
315.19446	4.7
327.19476	2.6
329.21219	4.8
331.18915	11.8
333.20493	2.7
338.17575	2.7
345.20612	6.9
353.20868	3.3
359.22034	4.2
367.22809	5.5
371.21829	4.4
373.24023	2.8
373.28378	5.1
385.23654	10.1
391.29547	4.1
399.25220	4.2
409.30881	3.7
419.29196	11.4
427.31760	3.4
437.30441	43.8
438.30655	4.3
455.31503	90.1
456.31729	6.3
473.32764	15.0
706.63959	3.1
730.16479	4.9
730.31451	20.3
731.33044	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	730.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.01860	16.9
55.05500	41.8
57.03436	32.1
59.17822	3.9
60.44725	3.2
61.02915	11.0
61.40962	4.3
65.03942	4.8
67.05155	6.3
67.05494	85.8
67.45375	3.6
69.03413	7.4
69.07053	21.0
69.23941	10.6
69.24352	10.2
71.04970	5.8
73.02933	9.1
79.05479	100.0
81.03416	22.2
81.07043	78.4
82.04202	4.5
83.04964	17.2
83.08604	22.4
85.02895	14.9
91.05463	49.9
93.07033	89.1
95.04966	27.3
95.08587	46.3
97.02884	14.4
97.06507	10.6
97.10164	14.5
98.07292	7.3
99.08088	5.0
105.07000	28.5
107.04948	10.4
107.08582	40.7
109.06488	7.7
109.10121	23.2
111.04442	4.3
111.08051	10.4
116.04707	8.7
117.06991	14.2
119.08573	28.6
121.10124	39.7
123.08043	6.0
123.11681	7.9
125.09595	11.4
129.05461	38.9
129.06960	6.7
131.08548	20.8
133.10115	22.9
134.61275	4.0
135.11676	27.0
137.09627	3.9
143.07013	6.2
143.33553	4.0
145.10083	18.5
147.11693	18.6
149.09616	7.6
149.13211	8.2
152.74806	4.6
153.09044	5.6
157.08583	13.6
157.09914	3.9
159.11725	8.8
161.13278	7.1
163.11174	5.6
173.13237	10.4
184.07384	6.4
189.11192	8.2
193.12234	9.9
209.11743	4.4
211.13411	5.3
215.17896	20.5
227.12769	11.7
233.18935	20.4
267.15887	7.7
283.15442	10.5
301.16391	74.9
307.22620	92.5
308.23080	5.0
398.40256	4.5
401.64609	3.9
440.03995	5.1
440.18042	4.3
515.33063	5.3
533.34650	95.1
534.34827	5.1
730.41589	26.2
731.42804	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	730.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01869	6.1
55.05499	22.7
57.03436	12.5
57.07070	3.9
61.02927	6.1
65.03963	4.4
67.05495	70.7
67.68454	2.8
67.77384	3.1
69.03447	4.1
69.07063	14.4
71.05008	5.6
79.05476	56.8
81.03432	8.9
81.07043	57.6
83.04990	11.2
83.08631	8.5
85.02892	6.5
85.06575	3.4
91.05468	41.3
93.07030	63.7
93.07582	4.3
95.04946	14.8
95.08599	31.7
97.02889	5.6
97.06532	9.8
97.10161	5.1
105.07013	29.0
107.04980	5.3
107.08588	26.8
109.06525	8.4
109.10133	29.1
111.04475	5.4
117.06995	16.6
119.08563	25.0
121.06532	4.7
121.10112	21.8
123.08060	5.5
123.11723	7.4
125.09636	6.0
129.07030	13.0
131.08543	18.5
133.06534	3.0
133.10103	25.4
135.08047	7.1
135.11707	20.8
137.09608	4.0
139.11188	3.2
143.08553	13.1
145.10089	23.0
147.08090	4.1
147.11714	10.2
149.09615	8.6
149.13293	6.2
151.11198	4.5
153.12878	3.5
155.08614	3.9
157.10173	12.9
159.08134	4.6
159.11688	12.0
161.09645	6.6
163.07622	3.5
163.11185	13.2
167.08513	3.0
169.10156	5.5
171.11694	8.8
173.13255	6.3
175.11151	6.4
179.10655	5.1
181.12254	4.2
183.11671	4.6
185.13264	8.3
187.11226	3.0
189.12796	4.2
191.10667	5.3
195.11603	3.9
200.55995	3.0
209.11761	10.8
213.16412	3.9
215.17934	8.3
227.12724	3.7
227.16264	4.8
229.14288	7.4
233.19020	7.6
245.18993	9.1
253.14183	4.5
261.18555	4.2
269.18842	4.9
271.17062	3.8
273.18576	6.2
283.15317	35.2
283.42169	3.6
287.20053	8.5
301.16507	3.6
307.22644	35.6
345.20645	4.0
405.27701	4.7
423.28806	9.4
441.29907	6.1
459.31036	4.1
497.32626	18.7
515.33649	100.0
515.41351	7.2
533.34778	32.2
730.42029	16.5
731.42535	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.01860	10.6
55.05503	23.1
57.03177	1.7
57.03429	17.9
57.07062	3.8
59.04983	2.2
61.02914	4.9
65.03917	5.6
67.05492	71.7
69.03410	3.7
69.07055	15.4
69.75719	3.2
69.76083	3.1
71.01332	3.2
71.04980	6.6
73.02897	2.6
79.05478	68.1
79.05944	3.2
80.05823	1.5
81.03397	13.9
81.07040	55.7
82.07383	1.6
83.04966	22.3
83.08601	12.4
85.02885	8.7
85.06513	5.7
87.04469	1.8
91.05457	38.4
93.07031	71.8
94.07364	1.6
95.04949	11.8
95.08076	1.4
95.08587	34.8
97.02881	8.4
97.06490	9.2
97.10141	4.4
98.97569	2.9
99.04433	4.7
99.08064	4.3
105.04503	3.6
105.07005	23.0
107.04934	10.1
107.08570	30.7
107.09258	2.7
109.02878	1.6
109.06506	5.4
109.10130	18.6
111.04420	29.6
111.08064	11.2
117.07002	12.2
119.08556	17.5
121.06463	2.4
121.10122	38.7
121.10983	2.7
122.10426	1.9
123.08035	5.0
123.11681	4.3
125.05959	3.8
125.09607	5.1
129.06975	3.9
131.00217	1.6
131.08534	16.2
133.10098	15.0
135.08054	2.8
135.11665	35.0
137.09592	3.8
137.13197	1.5
139.11153	1.7
143.08582	1.5
145.10095	26.3
147.08018	3.9
147.11674	6.6
149.01222	2.5
149.02328	2.9
149.09639	6.6
149.13225	8.0
151.11105	2.2
153.12708	17.9
155.08507	4.3
157.10156	2.6
158.99619	1.8
159.11685	8.2
161.13322	1.7
163.11153	36.7
170.99670	1.9
171.11575	3.0
173.09593	7.9
173.13197	6.8
175.11185	1.5
177.12567	1.5
181.12190	22.3
189.00615	1.5
189.11217	1.6
191.10646	16.6
209.11681	21.3
210.12048	1.5
215.17918	18.2
227.12732	24.9
231.17480	2.5
233.19000	17.6
255.15756	1.6
265.14340	2.5
283.15356	61.2
289.21652	2.3
301.16394	62.5
305.21075	1.8
307.22595	100.0
308.22882	3.8
321.04749	1.6
346.71011	1.7
423.28528	3.4
434.40729	1.3
441.29810	2.9
459.31232	1.7
473.14636	1.6
497.32486	5.4
515.33496	33.4
533.34613	81.7
534.34784	6.1
600.25232	1.6
636.96918	1.5
730.41229	13.9
732.10657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.7
53.03940	6.6
55.01865	10.6
55.05504	21.1
57.03433	13.7
57.07071	2.8
59.04964	1.9
61.02914	3.4
64.30727	1.5
65.03936	3.0
67.05498	85.0
67.53040	1.6
69.03423	2.5
69.07054	18.4
69.45433	1.8
69.95726	3.7
70.06557	1.6
71.04987	9.4
73.02906	2.2
79.05483	95.9
81.03423	12.7
81.07046	72.4
81.07419	1.8
82.07384	1.7
83.04974	23.0
83.08619	8.6
85.02892	6.9
85.06534	8.7
86.42641	1.9
91.03931	2.1
91.05468	46.0
92.05840	2.9
93.07032	94.6
94.07343	2.6
95.04959	25.0
95.08010	3.2
95.08595	45.0
97.02893	3.8
97.06511	14.1
97.10165	3.3
99.04453	3.8
99.08063	2.8
105.04506	3.0
105.07017	25.2
107.04942	31.8
107.07902	3.5
107.08576	34.2
109.06491	5.6
109.10146	20.2
111.04430	22.9
111.08080	7.2
115.05467	2.9
117.07011	22.5
119.08570	25.9
121.06505	4.8
121.09256	3.7
121.10126	52.6
123.08068	5.3
123.11709	6.9
125.05994	2.3
125.09612	2.4
128.06123	1.6
129.06992	8.2
130.07768	2.4
131.04929	1.8
131.08556	27.5
133.10089	15.2
135.08018	4.4
135.11678	42.2
135.12633	3.2
137.09579	2.2
137.61372	1.6
143.08540	3.8
145.06454	8.5
145.10098	45.9
147.08006	4.2
147.11707	8.6
149.09601	10.7
149.13264	8.1
151.11171	1.9
153.12708	13.7
155.08525	11.7
157.10051	2.0
159.11661	8.9
163.11159	39.1
169.10002	2.2
171.11699	2.3
173.09599	22.9
173.13234	4.9
181.10718	2.0
181.12216	15.2
183.11673	2.6
184.48721	2.1
185.13281	2.0
191.10622	20.5
197.13098	1.7
209.11668	12.6
215.17928	22.8
227.12726	17.0
231.17303	2.5
233.18945	20.5
249.18715	1.8
251.20055	2.1
265.14307	35.3
266.14624	2.2
267.16031	2.1
283.15353	92.8
284.15607	3.9
301.16422	54.7
302.16769	2.2
307.22644	100.0
308.22903	4.0
314.23630	2.1
353.89218	1.6
405.27643	2.2
423.28891	4.5
441.29968	3.3
469.33224	1.7
473.11908	1.8
487.34027	6.8
497.32471	8.1
515.33539	50.8
516.33948	3.2
533.34717	77.2
534.34717	4.6
730.37677	3.3
731.42761	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	730.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.6
55.05503	59.8
57.03429	12.5
57.07060	9.6
62.06080	10.2
65.03928	5.4
67.05497	92.8
67.82166	4.1
69.03415	5.6
69.07057	32.5
69.84429	10.9
71.04971	11.7
79.05482	76.1
80.05832	3.8
81.03421	15.5
81.07047	100.0
81.07500	7.5
82.07393	4.9
83.04981	11.2
83.08613	33.3
85.02876	10.4
85.06542	5.5
85.10168	16.4
91.05472	67.1
92.05817	5.7
93.07034	62.6
95.04949	54.0
95.08596	77.5
96.08939	4.1
97.06543	12.4
97.10155	19.0
99.08111	7.6
100.43260	3.7
103.05418	4.2
105.07020	45.0
106.07306	3.9
107.04922	28.9
107.08569	42.8
109.06510	18.1
109.10148	18.7
111.04450	6.0
111.08062	12.8
113.09631	10.8
117.07016	23.2
119.08560	38.2
121.06500	8.4
121.10111	35.1
123.08058	14.0
123.11726	7.1
125.09641	7.2
129.07016	11.3
131.08540	27.6
133.10100	23.1
135.08022	8.1
135.11693	13.1
137.09604	4.3
141.07004	4.1
143.08527	6.6
145.09126	3.8
145.10115	27.0
147.08051	5.3
147.11674	13.1
149.09566	25.7
149.13205	6.7
159.11731	7.6
161.13287	6.2
163.11140	25.9
165.12729	17.2
169.10014	5.3
171.11708	4.3
173.13232	4.1
175.14734	4.2
177.12622	5.7
184.07318	12.3
185.13277	4.3
187.11249	7.0
189.11192	7.9
223.13283	18.1
257.18961	8.4
273.18576	7.7
275.20114	46.7
276.20477	6.7
277.21683	14.1
285.16809	4.1
291.19510	20.1
293.21036	50.8
295.22559	35.4
335.25705	12.1
349.23758	21.2
351.25336	16.4
367.24658	27.8
369.26355	12.2
383.19949	6.8
385.20941	13.4
401.20963	14.7
403.22330	19.2
475.34189	27.8
533.38092	22.1
641.43054	7.5
659.40222	9.7
677.41455	25.3
695.42108	20.3
703.47040	4.7
730.39227	13.6
731.37952	6.0
749.23688	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	731.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04247	0.5
67.05512	0.7
69.03416	0.6
69.07800	1.0
69.08217	2.1
79.05488	0.7
81.07056	0.9
85.02892	0.8
93.07082	0.5
95.08602	0.6
104.10873	0.5
105.03376	2.3
109.10206	0.7
127.03849	0.5
133.10176	0.6
162.09169	0.5
185.04285	1.5
200.76060	0.5
201.03714	0.9
203.05315	2.5
244.70993	0.5
259.07755	2.4
319.10220	1.0
321.53888	0.5
331.10046	1.4
333.20401	0.7
345.11444	0.6
347.09702	1.6
363.09116	1.4
365.10468	3.5
387.15778	0.7
407.23981	3.1
421.13171	1.8
441.21021	2.2
443.22729	1.1
473.19223	0.6
493.15466	2.0
499.21579	2.0
546.60187	0.5
549.21472	1.2
569.29211	16.3
570.29541	1.7
603.25775	3.3
605.27795	0.9
627.23096	0.8
633.26398	0.6
641.30511	0.8
661.26678	0.7
731.34528	100.0
732.34857	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	731.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
55.05265	0.3
55.05498	1.8
57.03427	1.0
65.03933	0.3
67.05493	2.8
69.03416	0.4
69.07057	2.1
79.05465	2.2
80.05863	0.3
81.03421	0.7
81.07040	2.7
83.04985	0.6
83.08620	0.7
85.02897	0.3
85.96133	0.3
91.05463	1.6
93.07030	2.1
95.04964	0.8
95.08590	1.3
96.27541	0.2
97.10174	1.2
105.07014	1.3
107.04987	0.4
107.08554	1.3
109.06535	0.6
109.10152	0.9
111.04444	0.8
111.08099	0.4
117.07021	0.4
119.08576	1.3
121.06542	0.5
121.10165	0.8
123.08088	1.0
125.09620	1.3
129.07054	0.3
131.08557	0.4
133.06389	0.3
133.10127	0.7
135.08078	0.6
135.11729	0.8
137.09570	0.3
138.02887	0.3
139.03664	0.3
145.10132	0.5
147.11681	0.4
153.12766	0.5
159.11693	0.4
163.11165	0.6
175.11151	0.3
189.11197	0.3
273.18500	0.3
279.12115	0.4
289.46698	0.3
291.19571	0.4
296.32117	0.3
307.63620	0.4
309.08340	0.3
331.18427	0.4
333.15366	0.4
349.19788	11.0
350.20633	0.4
365.97543	0.3
405.22421	7.0
406.22815	0.3
477.24832	1.4
694.10260	0.3
731.43359	100.0
732.43903	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	731.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05506	4.0
57.03400	1.5
61.83800	1.1
67.05490	7.0
69.07074	2.3
73.04118	1.0
77.76878	1.1
79.01602	6.1
79.05102	1.2
79.05463	5.7
81.03422	2.3
81.07039	6.3
83.08587	1.5
91.05483	4.7
93.07030	6.1
95.04953	3.3
95.08628	3.4
97.02908	1.4
97.10136	1.6
100.36690	1.1
105.03159	3.2
105.07052	3.2
107.08595	2.8
109.06544	1.3
109.10175	2.6
117.07036	1.6
119.08582	2.7
121.06554	1.1
121.10145	3.0
129.05542	1.7
131.08565	2.3
133.10143	1.9
135.11729	1.9
138.02911	3.7
139.03622	6.6
145.10155	1.9
147.11713	1.0
153.05269	1.9
163.11139	1.3
175.61794	1.1
184.07404	1.4
190.64984	1.1
198.05055	2.7
209.11578	1.3
211.05786	3.3
215.17949	1.1
223.12971	5.4
263.12567	1.8
282.14279	2.6
307.22717	2.6
308.23163	1.7
323.14603	1.9
333.20303	9.6
337.16171	2.1
365.19385	2.7
379.17389	2.4
389.23166	7.5
407.24051	4.9
421.20935	1.3
421.26077	1.5
431.23465	1.3
448.24484	1.2
461.24933	7.0
463.26971	1.9
475.26349	1.4
489.28418	1.9
515.34424	1.5
516.34082	1.3
531.32880	1.6
549.34198	1.5
565.40332	1.2
573.34235	5.1
615.35303	1.3
713.42749	2.3
731.42877	100.0
732.43280	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60688	0.3
55.01864	1.0
55.05513	2.9
57.03429	1.5
59.04206	0.3
60.73341	0.4
61.02913	0.5
65.03936	0.4
67.05496	5.1
68.05821	0.6
69.03419	0.8
69.07061	2.8
69.07382	0.4
69.93260	0.9
69.93622	0.8
71.08607	0.8
73.02928	0.6
79.05486	4.3
81.03394	0.8
81.07039	4.5
82.07394	0.6
83.04995	1.2
83.08620	1.7
85.02869	0.7
85.06552	0.6
91.05462	2.9
93.07030	3.9
95.04974	1.6
95.08595	2.4
96.08951	0.6
97.02924	0.6
97.06528	1.2
97.10182	1.2
105.04453	0.4
105.07002	2.0
107.04952	1.0
107.08586	3.0
109.06518	0.7
109.10152	1.7
111.04427	0.6
111.08105	0.8
117.07019	1.2
119.08594	1.6
120.08918	0.5
121.06483	0.4
121.10187	1.2
123.08078	0.9
123.11666	0.4
125.09646	0.6
128.06155	0.4
131.08574	1.2
133.10130	2.1
135.08057	0.7
135.11717	1.3
137.09587	0.6
140.51952	0.4
143.08617	0.5
145.10138	1.3
146.10504	0.7
147.08057	0.4
147.11633	0.5
149.09607	0.7
151.11194	0.4
157.10065	0.5
161.09584	0.5
163.11227	1.0
171.10164	0.5
209.11557	0.4
214.09526	0.4
271.15280	0.4
283.15430	0.9
284.15775	0.6
285.01382	0.4
286.17743	0.5
307.22638	1.0
308.23343	0.4
315.19186	0.4
320.23300	0.4
349.19733	6.3
349.23355	0.5
405.22449	7.3
405.27319	0.6
407.23929	0.5
439.19601	1.0
451.89716	0.5
504.63669	0.4
516.33594	2.2
533.27600	0.5
534.35327	0.9
546.96106	0.5
585.36194	0.4
676.09119	0.4
719.15814	0.4
731.43060	100.0
732.43268	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	732.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.2
53.03931	3.3
55.01854	1.1
55.68106	0.8
58.06601	1.6
65.03924	1.1
69.03410	1.4
70.06590	3.7
71.04991	1.4
73.33633	0.7
75.04477	1.2
77.03916	3.1
77.16762	0.7
79.05487	3.1
79.57728	0.6
81.03409	1.8
82.06565	1.1
84.08116	0.8
85.02892	6.2
91.05461	5.6
93.07021	2.7
94.06556	2.4
95.04960	17.1
95.05527	1.4
96.08086	1.5
97.02874	1.4
97.06524	1.1
99.04464	1.0
103.05471	1.8
105.03383	100.0
105.04397	6.0
105.07024	3.5
106.03723	1.2
107.04936	5.5
108.08109	1.8
109.02853	0.9
109.06478	2.7
111.04389	1.0
112.07597	2.2
115.05437	1.9
117.06996	2.4
119.04941	2.3
121.02848	3.4
121.06503	4.8
123.04444	1.6
124.05205	1.2
124.07603	0.8
125.05959	1.1
128.06216	1.6
129.06976	5.1
131.04909	2.1
131.08575	3.7
132.08057	0.8
133.02837	1.9
133.06479	1.3
134.09656	1.1
135.04416	1.5
135.08032	2.2
136.07588	0.9
137.05992	3.9
138.09146	1.2
140.07063	1.4
141.06999	1.4
144.05714	0.7
145.02855	1.0
145.06483	2.8
147.04411	2.6
147.08029	1.0
148.05096	0.8
148.07602	0.9
149.05962	1.9
150.09244	0.9
151.03972	0.9
151.07512	3.3
152.04718	0.9
153.05426	2.1
153.06946	1.4
154.07787	0.7
155.08553	1.1
157.06458	4.4
159.07976	1.5
161.05952	7.0
161.09627	1.9
163.03998	0.8
163.07515	3.8
165.05585	1.2
165.06978	3.2
165.09102	2.0
166.06204	1.3
166.07689	0.9
167.07056	16.1
167.08565	2.5
169.06523	1.3
171.08049	1.5
173.05983	1.2
174.06824	2.3
175.07550	3.1
177.05501	1.3
177.09099	4.5
178.07782	1.3
179.07140	1.1
179.08571	3.9
181.06479	1.4
181.06783	1.5
181.08589	15.1
181.10051	1.6
185.05952	0.7
189.09097	14.5
190.07785	1.3
190.12238	1.7
191.07013	1.6
191.08601	1.8
193.06479	1.0
193.08542	1.6
193.10147	1.3
194.07265	0.9
195.08043	3.3
197.09650	1.9
201.09111	1.3
202.07787	0.9
203.08554	1.4
205.10138	1.7
207.08014	2.2
207.10190	3.2
208.08759	1.1
209.09669	1.9
210.06723	1.0
211.07529	1.8
215.08615	1.1
219.08023	1.9
219.10184	6.2
220.08867	1.0
221.06015	1.1
221.09615	2.0
222.06789	1.2
223.07529	1.4
223.11203	2.6
225.09171	3.8
227.06978	1.0
229.12225	1.0
233.09669	2.5
235.07645	1.2
235.11125	1.6
237.09113	2.2
239.10600	1.6
241.08734	0.7
249.09085	1.4
251.07053	1.0
251.10638	4.7
253.08646	2.8
255.10146	1.0
257.11752	3.6
261.09146	1.5
265.08530	1.5
269.08151	0.7
269.11639	1.1
279.10071	6.1
283.09720	2.6
283.13315	3.2
285.11142	5.5
293.11487	0.9
297.11029	0.9
302.11383	0.9
311.12610	3.5
315.12247	3.0
317.13770	4.5
328.15497	1.5
329.13715	1.1
331.15491	1.4
343.15308	6.6
344.63885	0.7
354.17148	1.2
361.16406	69.1
362.16946	3.0
373.16229	1.6
386.19635	1.3
450.19019	0.9
476.20648	2.3
498.24561	0.9
508.23358	3.0
526.24493	2.6
527.23322	0.8
540.25934	3.7
558.26880	16.9
559.27728	1.9
613.41541	0.8
688.29163	2.1
700.26105	1.9
714.27588	4.2
715.28345	1.3
732.28430	67.7
733.28558	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	732.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03936	2.2
55.01856	1.0
58.06581	1.2
67.05482	1.1
68.80966	0.6
69.03415	1.0
70.06580	1.1
70.50320	0.9
74.06067	0.6
75.04461	0.9
77.03923	2.9
79.00937	0.7
79.05463	1.8
81.03420	1.8
82.06580	0.7
85.02905	2.5
91.05465	3.7
92.66853	0.7
93.07033	0.9
94.06548	1.1
95.04959	13.5
95.08563	0.8
96.08125	1.6
97.02873	1.3
97.06476	1.1
103.05444	0.7
105.03381	96.7
105.04393	5.6
105.07021	2.3
106.03706	1.8
107.04942	1.7
108.08088	2.9
109.06516	1.9
115.05407	0.8
117.07014	1.8
119.04948	1.7
119.08570	1.1
120.08100	1.4
121.02858	0.9
121.06502	2.0
123.04436	1.1
125.06018	0.6
128.06210	0.7
129.06999	3.0
131.04944	0.9
131.07214	0.6
131.08562	2.4
132.08105	1.0
133.02859	0.7
133.06500	2.1
134.09645	1.4
136.07591	0.9
137.05991	1.7
138.09135	2.1
141.07002	1.5
143.08522	1.0
145.02875	0.8
145.06479	1.1
146.09644	1.0
147.04362	3.4
147.07965	1.8
148.07536	1.1
151.07561	1.0
153.06978	1.2
155.08467	0.8
157.06509	0.8
158.09630	0.9
159.08070	1.1
160.07520	3.2
161.05943	2.3
163.07469	0.8
164.10736	1.4
165.06978	1.8
166.07707	0.9
167.07042	3.4
167.08577	1.9
169.06441	0.7
170.09654	1.1
172.11227	1.7
175.03877	0.6
175.07545	1.4
176.10693	1.1
177.05518	1.7
177.09085	18.3
178.07698	0.9
179.08504	2.4
181.08653	0.9
181.10098	1.5
188.10696	1.2
189.09105	1.9
190.12270	0.8
191.08588	1.2
193.08556	10.8
193.10086	0.9
195.08104	1.5
197.09785	0.9
202.07701	1.4
203.08618	1.4
203.10510	0.7
204.09328	1.0
204.13864	1.8
205.10132	2.2
207.06499	2.0
207.08156	1.6
209.09676	1.9
215.08525	0.9
217.10208	1.0
218.07204	0.9
219.08081	1.4
221.09552	1.5
221.11746	4.5
222.12776	0.8
223.11205	1.6
232.08781	0.8
233.09674	1.8
235.07529	1.0
235.11133	1.0
237.09103	0.9
245.09726	1.0
251.10670	1.4
261.09091	2.1
265.12234	0.8
268.13382	1.4
279.10095	1.2
282.28690	0.7
304.13376	1.3
322.14401	0.8
326.17645	1.4
340.19193	1.5
348.22021	0.7
354.16928	8.1
358.20193	1.9
361.16391	6.4
373.16422	1.5
376.21292	1.5
422.19598	1.9
424.73505	0.8
448.21381	1.3
464.20593	0.8
466.22067	2.5
476.20859	1.7
480.23785	1.6
487.44989	0.7
490.22290	1.2
494.21567	0.9
498.24759	3.3
508.23352	2.6
522.24829	2.1
526.24298	2.0
540.25818	2.5
540.89905	0.7
558.26929	25.8
559.27350	1.5
666.68811	0.7
688.30035	0.8
732.28467	100.0
733.28406	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	732.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.4
53.03936	3.5
54.41695	0.5
55.01871	1.4
56.46857	0.5
58.06567	1.8
67.05489	0.8
69.03407	1.0
70.06578	1.6
71.04969	0.9
71.36111	0.6
77.03911	2.7
79.05482	1.8
80.05038	0.6
81.03413	1.8
82.06567	1.0
85.02882	2.5
91.05457	3.8
94.06555	2.4
95.04952	14.7
96.08117	1.7
97.02873	0.8
97.06511	1.3
97.69464	0.6
103.08664	0.6
105.03375	100.0
105.04511	4.9
105.06996	1.7
106.03722	1.7
107.07316	0.9
108.08097	2.7
109.06480	1.5
115.05429	1.2
117.06996	2.1
118.52695	0.6
119.04900	2.8
120.08086	1.1
121.02830	1.1
121.06487	0.7
123.04396	1.0
124.07552	0.7
125.05974	0.6
127.03912	1.3
128.06250	0.8
129.06984	2.9
131.04858	0.7
131.08557	2.6
132.08081	1.2
133.02808	1.0
133.06496	0.9
134.09654	2.0
135.04419	0.7
136.07539	1.2
137.05939	3.2
138.09109	2.1
141.06963	1.6
143.08514	1.0
144.08018	0.8
145.06483	1.3
146.09592	1.4
147.04405	3.1
147.08084	1.2
148.07542	1.2
153.07001	1.5
155.08545	1.3
157.06494	0.8
158.09570	1.1
159.08107	0.8
160.07549	4.6
164.10741	1.1
165.05525	1.3
165.06964	2.0
166.07605	0.6
167.07072	2.2
167.08568	1.9
169.06454	1.4
169.10081	0.6
170.09634	1.0
171.08046	0.9
172.11206	2.1
173.06004	0.9
174.05492	1.0
174.09230	0.6
175.03899	1.0
176.07037	0.9
176.10699	1.4
177.05487	2.0
178.04980	1.2
178.07791	1.0
179.08540	2.2
181.10123	1.7
182.11842	0.7
187.07608	0.7
188.07036	1.0
188.10751	1.4
189.09131	1.1
190.07899	1.0
191.06964	0.5
191.08556	2.2
192.09338	0.6
193.08606	0.6
193.10233	1.1
195.08067	1.4
200.10640	0.6
202.07732	0.7
202.12361	0.8
203.08609	1.3
204.09395	0.7
204.13852	2.0
205.10124	2.5
206.04472	2.3
207.04868	0.7
207.06461	3.4
207.08209	0.6
208.05127	0.8
209.09599	1.4
209.86823	0.6
211.11154	0.6
217.10153	1.2
219.08017	0.9
221.09615	1.1
223.11151	1.5
225.08975	0.8
225.13188	0.6
226.12048	0.7
233.09612	2.0
233.11778	1.2
235.11205	1.7
237.09058	1.4
240.13937	0.8
250.12292	0.6
251.10715	1.5
261.09036	2.0
263.10678	1.4
265.12256	0.7
276.13794	1.3
279.10226	0.8
294.15097	0.7
311.12909	0.6
312.16000	0.9
326.17578	1.1
336.15906	0.9
337.56750	0.8
340.18890	1.1
344.18604	1.0
348.21698	0.9
354.16919	7.2
358.20062	1.8
361.16415	3.2
376.21198	2.8
422.19504	1.4
448.21426	0.8
450.18863	1.0
462.22708	1.5
464.20630	1.1
466.22162	2.3
476.20752	1.2
480.23761	1.3
494.21902	0.8
496.23203	1.3
498.24738	3.6
508.23328	1.9
520.24463	0.8
522.24933	2.1
526.24481	2.4
538.26471	0.9
540.25897	2.3
558.26849	27.4
559.27332	1.9
688.29718	5.3
714.29022	0.7
732.28455	98.2
733.28809	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	732.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
52.39947	0.5
53.03930	2.0
54.28294	0.6
58.06592	1.1
59.80742	0.5
61.18333	0.5
62.44088	0.5
64.31091	0.5
68.04977	0.5
69.03416	1.2
69.24130	3.0
70.06576	1.1
71.04975	1.1
74.06033	0.6
75.04486	0.5
77.03912	2.7
79.05467	0.9
81.03407	1.6
81.07040	0.8
82.06581	0.6
85.02898	2.9
86.09711	0.5
91.05447	3.5
93.07065	0.7
94.06551	1.7
95.04961	14.5
96.08109	1.5
97.02907	0.7
97.06553	1.0
98.23414	1.0
100.48548	0.5
103.05436	0.9
105.03382	89.4
105.04401	5.7
105.07030	2.5
106.03731	0.8
107.04950	1.4
108.08112	2.1
109.02890	0.9
109.06492	1.8
115.05460	1.5
117.07013	2.1
119.04933	1.4
119.08635	0.9
120.08115	0.7
121.06502	1.3
127.03952	0.6
128.06238	1.1
129.06976	2.9
131.04897	1.0
131.08577	2.2
132.08069	1.3
133.02782	0.8
133.06508	1.0
134.09648	1.1
135.04410	0.9
135.08049	1.0
137.05974	1.8
138.09131	1.9
141.06979	1.9
142.07751	0.6
143.08536	0.6
144.08121	0.8
145.06480	0.9
146.09679	1.2
147.04362	3.1
148.07545	0.9
150.09213	0.5
151.07549	1.2
153.06927	0.7
155.08522	0.8
157.06483	1.1
158.09654	1.3
159.08078	1.5
160.07631	3.1
160.11205	1.0
161.05959	2.2
164.10760	1.1
165.05559	1.1
165.07019	1.8
166.07724	1.0
167.07074	2.9
167.08447	1.3
169.06451	1.1
170.09590	0.8
171.08037	1.2
172.11211	1.2
173.06119	0.7
174.05470	0.6
175.07541	1.4
176.10719	0.9
177.05527	1.2
177.09091	13.6
178.07779	1.3
179.08485	1.3
181.08656	1.1
181.10104	1.0
188.10732	1.0
189.09177	1.2
190.07703	1.1
191.06972	0.6
191.08490	1.3
192.09340	0.6
193.08604	5.3
193.10155	1.6
194.07173	0.7
195.08096	1.5
195.10059	0.7
197.09541	0.7
202.07770	0.9
203.08563	1.4
204.13898	1.9
205.10133	1.9
207.06482	1.5
207.08136	1.6
207.11818	0.8
209.09610	1.1
211.07533	0.9
215.08562	1.4
217.10103	1.2
218.07251	0.7
219.08090	1.2
221.09763	1.0
221.11610	2.7
222.14755	0.6
223.07516	0.8
223.11131	1.4
224.10670	0.6
231.08005	0.8
233.09621	2.4
235.07649	1.1
235.11215	1.1
237.09105	0.9
249.12645	0.8
251.10722	1.5
261.09125	2.4
263.10654	0.9
268.13370	0.8
276.13919	0.9
279.09933	0.8
280.13544	0.6
283.13211	0.8
292.13443	0.8
293.11826	1.0
300.16110	0.7
326.17535	1.9
336.15857	0.6
340.19196	1.3
342.16885	0.8
354.16998	7.4
358.20200	1.5
361.16309	5.5
373.16525	1.0
375.17960	0.7
376.21127	1.6
386.19623	1.0
422.19531	1.9
450.19232	1.5
462.22778	0.8
464.21011	1.1
466.22324	2.3
476.20969	1.0
480.23669	1.3
490.22357	1.8
494.21634	0.8
496.23358	0.8
498.25043	3.4
498.31012	0.7
508.23297	2.0
522.24683	1.9
526.24274	2.0
527.25488	0.6
540.25964	2.1
558.26855	24.4
559.27148	1.8
626.62408	0.6
688.29071	0.7
732.28455	100.0
733.28546	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	732.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.10283	1.7
55.01864	2.7
58.06591	2.5
59.56779	1.9
69.03395	2.4
69.08125	6.7
69.08547	6.3
77.03925	1.9
79.05476	8.1
81.03412	2.3
81.07040	1.9
83.04967	4.0
84.08140	1.9
85.02876	4.1
91.05464	7.6
93.07033	3.1
94.06599	2.5
95.04937	7.5
97.02885	2.0
97.06551	2.8
99.03104	2.0
99.04426	4.9
99.46360	2.2
103.05444	7.4
105.03371	33.2
105.04520	2.7
105.06333	3.7
105.07012	47.5
106.03709	10.6
107.04941	13.1
108.02652	1.8
108.08130	3.6
109.02850	2.4
115.05435	9.9
116.76304	1.9
118.04166	1.9
119.04934	5.1
121.06504	2.9
121.10147	3.2
127.03896	4.7
129.07001	2.8
131.04903	6.4
131.08534	3.6
133.02831	2.3
133.06479	44.7
134.00136	2.0
135.08017	6.0
137.05968	7.8
143.06001	5.3
143.44406	2.0
147.04391	6.7
149.05949	2.5
149.09619	2.2
151.07559	3.0
161.05946	97.3
162.06238	2.2
163.07524	22.2
167.07025	22.3
175.03896	4.1
177.05507	2.8
179.06970	4.8
179.08444	2.3
179.10617	2.2
193.08577	100.0
194.08934	3.5
195.10143	23.5
197.90202	1.8
207.06467	18.3
209.09749	1.8
213.11198	20.5
233.11710	2.6
239.09175	3.2
247.09789	2.0
255.03529	2.2
279.06259	1.7
279.09998	2.8
294.12363	5.7
295.12805	2.8
297.11237	3.0
310.12094	2.8
312.13562	2.2
313.14011	3.1
321.13254	23.1
325.14548	2.8
338.17242	4.8
339.14334	14.5
339.17804	3.7
357.15332	2.8
525.26208	2.9
557.28912	6.7
558.29279	7.3
570.27325	5.8
664.19965	2.0
732.30994	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	732.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.8
53.03906	1.2
54.45888	0.4
55.01840	0.7
61.02886	0.9
67.05437	0.7
67.93213	0.4
69.03359	1.5
70.06540	0.9
77.03863	1.6
79.05426	1.6
81.03376	0.9
82.06546	0.9
85.02892	5.0
91.05479	4.2
93.06976	2.0
93.07494	0.5
94.06496	0.8
95.04954	6.7
97.02827	1.4
103.05389	1.9
105.03381	35.0
105.04392	2.7
105.07029	2.3
106.03638	0.6
107.04945	6.0
108.08042	1.0
109.02815	0.6
109.06445	1.1
111.04368	0.6
114.18653	0.5
115.05443	1.0
117.06966	1.2
119.04864	1.7
119.08497	0.9
121.06501	4.9
123.04340	1.2
124.30001	0.5
125.05913	0.7
127.03835	1.1
128.06140	1.2
129.06981	5.0
131.04865	1.7
131.08554	2.8
133.02780	1.0
133.06409	1.3
135.07945	1.5
137.05960	4.6
138.06792	0.5
141.06979	0.9
145.04959	0.7
145.06398	1.7
146.07159	0.5
147.04332	1.0
147.07965	1.0
149.05940	2.0
150.80118	0.5
151.03880	0.6
151.07501	4.7
153.05464	3.0
155.07016	0.8
155.08443	1.0
157.06468	5.1
159.08029	1.2
161.05942	9.4
161.09511	2.1
163.07520	5.1
165.05455	0.8
165.06845	1.1
165.09029	1.8
166.06189	2.0
167.07027	19.2
167.08449	1.3
169.06421	0.8
169.10098	0.6
171.08028	0.8
173.05986	0.5
174.06725	2.7
175.07524	4.3
177.09099	7.8
178.07666	0.8
179.07053	0.7
179.08514	2.4
179.10220	0.6
180.08661	0.5
181.08566	21.7
182.08856	0.7
185.09500	0.8
187.07507	0.7
189.09070	19.9
191.06949	1.5
191.08508	1.1
191.10747	0.5
193.06728	0.6
193.08557	2.5
194.07224	0.5
195.08015	2.0
195.09956	0.8
197.09563	2.0
199.07542	0.7
202.07674	0.6
203.08575	0.6
203.10457	0.7
205.10094	0.7
207.08202	1.0
207.10094	4.0
208.08749	1.1
209.09567	1.2
210.06717	1.2
211.07497	1.1
217.10202	0.7
219.07990	1.5
219.10030	1.2
220.08910	0.6
221.05829	0.8
221.09578	0.6
221.11581	1.2
222.06773	0.6
223.07507	2.0
223.11183	1.8
224.08261	0.5
225.09093	4.1
226.09398	0.6
227.07069	0.6
229.12186	0.8
233.09682	1.0
235.07404	1.3
236.08255	0.7
237.09018	1.5
239.10661	0.9
240.07709	1.3
247.07555	0.7
249.09012	0.7
251.07040	1.4
251.10686	2.6
253.08566	3.9
254.09247	0.6
255.06444	0.9
255.10075	1.6
257.11758	3.7
261.09116	1.2
265.08389	0.7
267.10107	1.2
271.13104	0.6
279.10077	2.2
283.09579	3.1
283.13126	1.7
285.08112	1.0
285.11176	7.3
296.10257	0.8
297.11105	1.2
302.11237	1.3
311.12683	2.5
315.12173	4.0
317.13782	5.3
329.13770	1.4
331.15384	1.7
336.01456	0.5
341.13776	1.2
343.15375	8.6
361.16406	100.0
362.16754	4.7
373.16562	2.5
508.23322	1.2
526.24164	1.4
540.25787	2.2
558.26819	5.3
646.57104	0.5
700.25092	1.0
714.27667	1.2
732.28461	28.1
733.28784	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	732.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.0
56.05041	1.6
57.03424	2.1
58.06591	6.4
58.58829	0.9
59.05019	0.8
61.02921	1.6
69.03423	6.7
69.27952	4.6
70.06570	0.9
71.01347	0.8
71.04980	1.4
72.08160	3.1
72.85034	0.8
73.02917	2.3
79.05496	2.8
81.03417	3.2
83.04976	1.5
85.02887	8.3
87.04459	2.0
88.07625	1.3
91.05492	3.0
93.07063	1.1
95.04980	3.0
97.02882	4.7
99.04446	1.8
100.95797	0.8
103.05476	2.5
105.03387	12.2
105.04498	1.2
105.07007	11.1
106.03745	1.4
107.04111	0.8
107.04968	2.4
108.08110	3.9
109.02878	1.9
109.06557	1.0
111.67479	0.8
115.05479	3.5
117.07063	1.3
118.04179	1.0
121.06528	1.9
122.09691	2.8
126.09313	1.0
127.03925	2.3
129.07008	1.9
131.04939	1.3
131.08533	1.0
133.06468	10.9
135.08064	2.7
137.05962	2.1
143.06021	1.3
143.08582	1.8
147.04489	1.0
147.08031	1.2
148.11183	1.4
151.07524	0.8
155.08514	1.3
161.05949	21.6
163.07555	5.2
165.06956	1.0
167.07077	4.4
167.08508	1.2
171.08028	1.6
172.11240	1.5
177.05515	1.8
179.07141	1.0
179.08582	1.5
181.10176	2.0
193.08574	16.6
193.10106	1.8
195.10117	6.5
195.11620	0.8
197.11769	0.9
203.08611	1.0
205.10220	1.4
207.06468	1.3
207.11711	1.8
211.11383	0.9
213.11145	5.5
217.10213	0.9
221.13347	1.4
222.47816	0.9
231.11725	1.2
276.17365	1.1
281.22269	0.8
306.18692	1.4
315.60535	0.8
320.95035	0.9
321.13367	4.6
338.21362	2.8
339.14386	3.9
357.15393	1.4
366.20749	1.8
382.23611	1.1
382.64120	0.8
398.23209	4.8
402.22681	2.2
416.24399	2.3
430.25845	8.6
448.27451	1.1
560.28668	2.2
564.28088	2.3
592.31049	21.7
593.31250	1.8
610.32123	12.5
611.31427	0.9
714.35883	1.2
732.35828	100.0
733.36121	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	732.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91372	1.5
53.03938	4.4
55.01856	4.6
55.05501	6.5
57.03416	3.0
57.07064	1.4
61.02908	4.3
65.03942	1.8
67.05499	16.8
67.18025	1.4
68.30775	1.6
68.99770	2.2
69.03416	17.5
69.07065	7.4
69.69104	1.5
71.05000	2.7
71.44048	2.0
79.05482	12.7
81.03411	13.4
81.07050	32.5
83.04967	1.8
83.08604	5.2
85.02892	46.5
87.00820	14.5
91.05465	11.7
93.07026	28.3
95.04955	4.3
95.08594	35.2
95.09191	1.7
96.92117	1.6
97.02876	19.8
97.10193	2.8
99.04424	5.9
105.01860	22.7
105.03381	2.2
105.04496	1.9
105.07021	27.9
107.08586	24.0
109.02865	13.7
109.06611	1.7
109.10147	32.7
111.11710	2.6
117.06998	5.6
119.08564	24.3
121.06537	2.1
121.10140	20.3
123.11710	9.9
127.03901	30.0
129.01778	2.1
129.07028	4.2
131.08537	20.8
133.10114	16.3
135.11673	12.7
137.05992	2.5
137.09630	1.4
143.08496	8.7
145.04933	14.0
145.10085	20.2
147.11661	20.6
149.13240	12.2
153.12712	6.5
157.10168	8.3
159.02872	5.6
159.11702	14.9
161.13234	15.6
163.14813	3.8
163.74742	1.9
165.12714	3.2
171.11694	7.0
173.13255	13.7
175.14815	11.3
177.05409	2.1
177.16354	2.7
179.14285	3.5
185.13249	7.2
187.14752	8.7
189.16373	7.2
191.14302	2.0
199.14815	8.1
201.03831	1.7
201.16386	2.4
203.17920	2.2
211.14842	1.6
213.04007	2.2
213.16341	12.2
227.17873	7.2
229.19479	3.4
231.04984	10.2
231.17473	2.2
241.19467	5.5
243.20998	3.1
249.06024	7.7
257.22598	1.8
267.21066	7.1
269.22592	100.0
270.22977	3.6
271.24237	6.2
285.21994	2.0
287.23648	68.4
288.24109	2.2
297.22119	4.6
305.24744	22.5
395.25778	4.1
413.26599	7.9
426.98572	1.8
449.28903	1.9
499.26785	6.9
517.27930	8.9
535.28766	4.7
553.30133	3.7
732.33167	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	732.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	5.7
55.05503	19.8
57.03426	12.2
59.04992	5.6
59.67736	0.8
61.02914	3.3
65.03931	2.6
67.05495	90.2
69.03421	2.9
69.06702	1.4
69.07058	18.2
70.38795	1.8
71.04981	3.9
73.02900	1.3
79.05476	19.5
81.03421	5.4
81.07044	32.4
83.04968	3.3
83.08600	10.8
84.78823	0.9
85.02888	3.8
85.06528	3.4
86.09670	0.9
86.58756	0.8
91.03954	1.4
91.05464	19.5
93.07032	16.4
95.04961	6.7
95.08595	12.1
97.02878	3.4
97.06510	4.6
97.10161	8.8
97.65929	1.0
99.00843	1.6
99.04473	1.7
105.07006	9.7
107.04942	6.0
107.08587	12.0
109.02849	4.5
109.06522	6.4
109.10140	73.6
110.10538	1.5
111.04427	2.9
111.08073	4.7
117.07010	6.5
119.05016	1.0
119.08554	15.2
121.06497	4.4
121.10126	4.2
123.04401	2.1
123.08083	3.3
123.11646	1.3
125.09619	7.0
129.06998	2.0
131.08546	4.4
133.06517	2.1
133.10100	9.7
135.08025	8.9
135.11661	2.2
137.06030	1.3
137.09564	6.3
143.08534	3.3
145.06461	2.8
145.10086	4.2
147.08060	2.9
147.11673	2.6
149.09653	3.0
151.11183	2.8
153.09125	2.7
153.12724	1.6
155.08542	1.0
155.10672	2.9
157.10104	1.9
159.08049	3.2
159.11702	1.8
160.64803	0.8
161.09608	4.7
163.07492	6.4
163.11092	4.7
169.10071	1.6
173.09601	1.0
173.10229	1.3
173.11720	17.5
173.13202	1.1
177.09146	1.1
179.10683	2.4
181.12245	1.1
183.11513	1.1
189.11183	3.4
191.10582	1.1
193.12219	11.9
200.46077	0.8
211.13275	1.8
227.12769	4.3
229.14307	71.7
230.14645	1.6
243.17482	1.8
249.34833	0.8
253.14253	2.3
261.18506	2.9
271.16855	3.3
284.99686	0.9
289.17929	17.7
307.18909	4.5
325.20090	1.6
345.20844	1.1
363.21564	10.4
381.22678	46.2
382.23001	2.8
421.25864	2.4
437.25394	2.7
499.30499	2.1
517.31494	23.0
518.32074	1.5
535.32605	100.0
536.32874	7.0
578.97833	1.0
732.25854	3.3
733.25781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01862	7.0
55.05249	1.2
55.05503	16.4
56.20048	1.0
57.03431	12.0
57.07073	1.3
59.04996	5.1
61.02912	4.7
65.03922	1.6
67.05495	89.6
69.03413	3.6
69.07059	15.9
71.04993	5.0
73.02901	2.5
79.05476	16.7
81.03410	5.6
81.07044	30.7
83.04977	5.0
83.08612	11.0
83.52270	0.9
84.26192	0.8
85.02893	4.5
85.06520	3.7
91.03938	1.6
91.05466	19.3
93.07037	16.7
95.04947	9.2
95.08589	9.6
97.02876	3.8
97.06499	4.3
97.10162	6.2
99.00800	2.3
99.04413	0.9
99.08105	1.5
103.05477	0.9
104.65697	0.8
104.76875	0.8
105.04502	0.9
105.07017	11.2
106.15488	0.8
107.04926	6.1
107.08572	12.4
109.02873	3.6
109.06505	6.2
109.10139	76.2
110.10453	1.1
111.04398	2.6
111.08064	5.0
115.05401	1.4
117.06989	6.9
117.32496	0.7
119.08570	13.5
121.06496	3.7
121.10128	4.2
123.04414	2.5
123.08021	2.5
125.09598	8.3
127.03836	0.8
129.07014	1.4
131.08537	3.9
131.34926	0.8
133.06470	1.8
133.10103	10.1
135.08035	9.3
135.11667	2.2
137.05981	1.5
137.09579	7.4
139.07585	1.0
141.06995	1.1
143.08528	3.1
145.06465	3.2
145.10046	4.7
147.08051	3.4
147.11668	1.7
149.09583	2.5
151.11188	2.5
153.09048	1.9
153.12688	2.0
155.10558	3.7
157.10091	1.4
159.08023	5.0
159.11621	1.1
161.09622	5.7
163.07538	5.5
163.11147	2.5
165.09045	0.9
169.10068	2.4
173.09622	1.9
173.11711	20.3
173.13200	1.1
175.11101	1.8
177.09116	1.1
179.10645	1.7
181.12263	1.0
189.09123	1.6
189.11209	3.2
191.10648	1.6
193.12207	12.6
211.13272	2.1
225.11275	1.3
225.16220	1.0
227.12735	5.2
229.14304	68.4
230.14682	2.1
243.17433	3.2
253.14372	2.8
261.18491	3.0
271.17072	4.4
283.15216	1.9
289.17944	19.5
290.18359	0.8
307.19009	5.2
325.20074	2.9
357.21912	0.9
363.21661	9.3
381.22662	47.4
382.22876	2.0
421.25781	1.8
437.25183	2.0
499.30380	1.8
517.31543	23.5
518.31512	1.6
535.32581	100.0
536.33105	6.2
615.13751	0.8
733.37177	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	732.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.7
55.05510	28.2
57.03422	19.9
61.02909	6.4
66.88038	4.1
66.98440	3.8
67.05499	84.0
69.03421	6.9
69.07054	18.8
71.04989	7.8
76.98247	4.1
79.05478	76.3
81.03407	91.4
81.07050	65.0
83.04948	5.7
83.08593	35.0
85.06535	8.7
91.05462	50.5
93.07039	79.2
95.04958	42.5
95.08597	51.1
97.02877	5.3
97.06486	5.1
97.10126	10.6
98.23518	8.9
99.08133	6.2
105.04501	4.9
105.07027	33.9
106.73610	4.5
107.04954	7.7
107.08581	39.3
109.06516	10.1
109.10135	30.5
111.08078	12.4
117.06996	16.1
119.08585	33.7
121.10117	45.5
123.08066	5.9
123.11662	14.0
125.09635	9.1
129.06979	12.9
131.08554	24.5
133.06491	7.8
133.10130	22.7
135.08073	6.4
135.11668	27.3
137.09709	4.7
138.29538	5.1
145.10085	12.3
145.87573	4.6
147.11671	25.2
149.09634	11.1
149.13232	11.0
157.10132	12.9
159.11700	15.4
159.69441	5.4
163.11192	6.0
173.13185	9.1
174.16396	4.1
175.11195	5.1
193.12216	23.5
197.13020	4.2
215.17972	27.8
233.18985	20.3
267.15897	100.0
285.16769	6.2
307.22659	83.9
407.29340	8.3
425.30792	6.7
499.34085	52.2
517.35162	34.8
535.35760	5.2
541.80756	4.8
606.91254	4.9
714.11084	5.1
732.41937	21.3
733.34827	6.8
733.44073	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.1
57.07069	29.6
59.04981	1.1
67.05493	5.8
69.07049	3.2
69.80269	0.8
71.04961	0.8
71.08622	27.2
73.06542	9.4
75.03519	0.8
76.02735	0.8
79.05470	3.1
81.07057	5.4
83.08598	3.7
85.10172	15.9
87.04453	10.6
89.06021	100.0
90.06346	1.3
91.05460	2.7
91.07566	1.0
93.07015	3.8
95.04948	1.0
95.08601	2.5
97.10150	3.5
99.11720	2.7
105.07018	2.1
107.07046	2.9
107.08565	1.5
108.36697	0.8
109.06494	1.2
109.10123	2.0
111.11699	3.0
113.13268	2.2
117.06995	0.9
117.09120	8.6
119.08562	1.2
121.10150	1.7
130.08636	2.0
131.07021	2.5
131.08527	1.1
133.08586	48.4
135.10153	1.2
145.10114	1.3
147.03452	0.7
147.11639	1.0
154.59608	0.9
161.11731	2.0
163.11148	1.1
169.19522	4.1
175.09656	2.3
177.09718	1.8
177.11206	22.7
177.12744	1.4
179.12775	1.0
184.07202	1.1
213.22083	2.8
219.12166	1.0
221.13770	4.8
229.74419	0.8
230.04118	0.9
244.42372	0.9
257.24728	6.5
283.17386	1.7
301.27380	3.0
339.38098	0.9
535.38226	1.1
547.32861	1.4
715.51385	2.0
732.40753	6.0
733.40350	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	733.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.2
57.03419	1.2
61.02888	1.0
67.05479	3.5
69.07032	1.6
69.65101	2.2
69.65443	1.5
79.05466	2.7
79.09560	0.7
81.03349	0.8
81.07054	1.7
83.08587	1.1
85.02855	0.9
85.67875	0.9
89.06013	0.9
91.05447	1.9
93.07006	1.8
95.08577	1.8
105.07003	1.2
107.08581	1.7
109.10117	1.6
110.33402	0.9
133.10095	1.1
139.09184	0.8
231.90825	0.9
256.28928	0.8
263.92566	1.0
283.15384	0.9
328.37823	0.8
362.84558	0.8
426.27493	0.9
507.22879	2.2
555.11206	1.0
732.46075	1.0
733.34839	100.0
734.35657	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	733.3551
Annotation	Manassantin A
Peak:m/z	Relative Intensity
55.05476	1.0
57.07061	1.3
59.05019	0.7
61.02908	0.9
61.64162	0.8
67.05486	1.5
69.40957	0.8
69.74135	2.5
73.70386	0.7
80.51992	0.9
81.07033	1.8
85.10188	1.6
89.06008	3.9
91.05451	1.6
93.07065	0.9
95.08562	1.2
105.07063	1.0
107.08581	1.1
133.08545	2.3
148.80177	0.9
177.47987	0.8
282.96664	0.8
317.94077	1.0
322.90186	0.8
507.23642	1.2
732.45544	1.1
733.34875	100.0
734.35669	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	733.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01864	0.6
55.05502	1.8
57.03429	1.6
61.02920	6.7
67.05498	6.0
69.03425	3.8
69.07047	0.8
69.11410	1.7
69.11816	0.8
71.01340	0.4
71.04972	0.8
73.02912	3.9
79.05486	6.0
81.03407	3.1
81.07046	5.4
83.04982	0.4
83.08601	0.8
85.02898	5.8
87.04447	0.6
91.03950	3.5
91.05460	3.8
91.10688	0.3
93.07032	6.2
95.04951	2.1
95.08591	3.6
96.71730	0.4
97.02879	5.7
97.06519	0.6
98.23447	0.6
99.00826	0.7
99.04452	1.3
101.01739	0.4
101.02334	1.7
105.07035	2.8
107.04930	0.4
107.08585	2.4
109.02864	1.0
109.06509	0.4
109.10146	1.8
115.03896	0.8
117.07024	0.8
119.08558	1.8
121.06503	0.6
121.10146	2.8
127.03878	1.7
131.08546	0.7
133.10098	2.9
135.11687	0.9
137.09605	0.5
143.08583	0.5
145.10143	1.0
147.11638	0.8
151.11154	0.4
159.11670	0.8
161.09573	0.8
170.77829	0.4
173.13243	0.4
179.10672	0.5
189.09048	0.5
243.08455	1.2
257.65219	0.3
265.10547	1.0
307.22665	1.0
405.21909	0.4
483.18228	3.3
491.26099	9.1
492.26544	0.6
511.57422	0.3
733.37415	100.0
734.37799	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	733.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01870	0.6
55.05506	2.5
55.20221	0.4
57.03422	0.7
67.05494	4.0
69.03415	0.7
69.07061	1.8
71.04981	0.7
71.08617	0.7
71.11990	0.4
71.20122	0.5
79.05482	3.5
81.02823	0.4
81.03411	2.5
81.07047	3.5
81.94315	0.3
83.04980	0.7
83.08626	1.4
91.05489	1.7
93.07023	3.0
95.04972	1.8
95.08599	2.1
97.02973	0.4
97.06458	0.7
97.10184	1.5
105.07024	0.8
107.08574	2.1
107.53363	0.4
109.10169	1.3
111.04433	0.8
111.08096	0.5
114.76531	0.5
117.06969	0.4
119.08611	1.2
121.10165	1.3
123.08080	0.7
125.09648	1.5
131.08600	0.8
133.10159	1.1
135.08093	0.4
135.11702	1.3
145.10149	0.8
147.11731	0.6
149.09662	0.4
163.11259	1.0
169.64790	0.4
189.11272	0.6
193.12184	0.6
211.05510	0.4
215.18077	0.5
267.16000	1.8
268.16278	1.1
275.20053	0.7
289.62277	0.4
304.93658	0.5
307.22672	1.0
308.23016	1.0
349.19711	4.5
351.21353	5.0
405.22464	3.6
407.24060	3.3
500.34668	1.2
518.35583	1.0
585.22455	0.4
586.33197	0.5
733.44989	100.0
734.45502	10.7
736.95935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09318	0.2
58.06610	0.2
64.15306	0.2
64.88807	0.2
69.03409	0.5
70.06593	0.3
75.02523	0.2
78.04677	0.9
79.05485	0.7
81.03398	0.6
85.02889	1.2
91.05467	0.6
93.07023	0.3
95.04945	0.6
95.77188	0.2
97.02868	0.6
103.05457	0.3
105.03381	0.9
105.07030	0.5
106.04206	0.5
107.04943	0.9
109.02866	0.7
119.04874	0.3
121.02818	0.2
121.06511	0.4
122.03574	0.2
123.04414	2.6
124.05198	1.1
127.03885	0.4
133.06476	0.6
134.03604	0.3
137.05948	0.5
145.04878	0.3
149.05963	0.7
151.03897	0.6
152.04666	0.9
161.05962	0.8
167.07016	100.0
168.07370	2.2
177.05530	0.3
179.07008	0.4
181.08559	0.6
193.08568	4.0
211.09628	24.7
212.10037	0.6
287.05548	1.0
288.05832	0.7
394.41241	0.2
421.18671	0.3
487.26669	0.2
540.24292	0.3
548.15210	0.2
734.29456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78806	1.5
53.03934	2.1
55.01865	8.2
55.05503	24.8
57.03424	10.2
57.07059	1.5
59.04987	3.7
61.02919	3.6
65.03933	1.7
66.18166	1.7
67.05494	100.0
69.03428	6.1
69.07059	16.6
69.09197	11.3
69.66728	1.5
71.04989	6.3
72.38268	1.4
73.02904	1.6
73.81992	1.5
79.05482	28.1
81.03432	8.7
81.07046	60.6
83.04966	7.4
83.08612	17.8
85.02899	4.0
85.06565	2.0
89.87830	1.8
90.29232	1.7
91.05469	23.6
91.05994	2.5
93.07029	21.0
93.13912	1.7
95.04955	14.2
95.08591	14.9
97.02887	2.6
97.06531	5.1
97.10144	18.5
97.67538	1.5
99.08072	3.4
104.69753	1.4
105.07023	12.8
107.04928	10.5
107.08580	17.0
109.06493	9.6
109.10140	70.7
111.04425	10.8
111.08081	6.5
113.06020	2.0
117.07027	9.7
119.08553	21.8
121.06492	5.5
121.10135	9.7
123.08058	19.8
125.09615	16.3
129.07022	4.1
131.08536	9.1
133.06462	2.8
133.10115	5.7
135.08057	7.0
135.11690	6.9
137.09587	8.1
139.11098	2.6
143.08551	4.4
145.10101	9.9
147.08028	8.0
147.11694	5.2
149.09621	5.4
153.09074	3.9
153.12730	6.4
155.08603	2.0
155.10655	5.1
157.10086	2.6
159.08008	1.7
159.11678	5.1
161.09625	5.3
163.11139	11.9
165.09114	5.6
171.11664	3.2
173.09470	2.8
173.11722	15.7
175.11136	4.0
177.12746	1.9
181.12259	5.4
185.09665	2.2
185.13254	2.1
189.11174	13.6
189.12636	2.2
191.10684	4.8
193.12283	2.7
223.13213	4.6
227.12732	24.5
229.14317	83.4
245.19029	2.5
255.17361	4.1
265.10986	3.0
266.11765	6.2
273.18420	27.3
278.08060	2.0
283.15390	4.3
291.19492	61.8
294.11096	10.3
308.12781	2.5
309.13589	5.5
309.20364	9.1
310.10745	2.1
322.10651	17.2
337.12988	38.2
338.10248	4.1
340.15311	2.4
347.22156	7.1
353.12546	8.0
364.90222	1.9
365.23157	32.8
368.14856	62.6
383.24158	11.2
399.23596	5.9
412.44611	1.9
427.28610	1.8
437.25226	3.0
455.26572	3.0
501.32065	10.1
501.39178	1.6
519.33057	66.6
520.33484	3.2
537.34155	40.4
538.34229	3.2
752.39655	1.9
762.21277	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01869	6.9
55.05502	24.1
57.03428	11.1
59.04999	4.8
61.02921	2.7
65.03931	2.3
67.05495	100.0
69.03412	5.0
69.07056	13.3
71.04984	4.6
71.45080	2.8
72.17310	2.3
79.05480	23.9
81.03399	5.7
81.07049	49.3
83.04971	9.3
83.08611	16.3
85.02911	6.1
91.05472	20.6
92.20706	2.3
93.07028	22.0
95.04970	16.3
95.08595	19.4
97.02885	4.5
97.06535	7.2
97.10167	17.3
99.08077	3.2
105.03398	4.2
105.07014	14.3
107.04937	6.6
107.08556	16.1
109.06510	7.0
109.10140	73.5
111.04432	7.7
111.08089	5.7
117.07017	9.1
119.08559	24.5
121.06503	5.0
121.10145	9.8
123.08074	15.6
125.09591	13.7
129.06998	4.1
131.08575	8.6
133.06493	2.7
133.10086	5.0
135.08015	5.4
135.11670	6.8
137.09569	4.1
143.08466	4.6
145.10110	14.0
147.08072	5.9
147.11687	2.8
149.09644	5.8
152.56499	2.5
153.09032	3.8
153.12700	3.8
155.10623	2.9
157.10149	5.9
159.11635	3.5
161.09592	4.6
163.11163	13.0
165.09045	5.1
171.11632	3.5
173.11728	15.8
175.11092	3.9
181.12233	4.8
189.11208	8.7
191.10657	3.5
209.87050	2.7
223.13248	5.2
223.81789	3.1
226.69681	2.5
227.12756	19.0
229.14314	73.7
245.19051	3.7
255.17429	4.0
273.18445	21.8
275.19937	3.2
283.15436	6.5
291.19492	45.2
309.20496	7.2
347.22131	6.1
365.23169	26.5
369.14737	2.9
383.24280	9.3
399.23578	4.8
445.29202	3.5
501.32043	9.6
519.33136	64.2
534.52002	2.9
537.34216	31.7
734.32684	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	735.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.0
67.05495	1.6
69.07045	0.6
71.20078	0.6
73.02921	0.5
77.56526	0.5
79.05482	1.6
81.03411	1.0
81.07047	2.3
85.02908	1.1
91.05460	1.1
93.07018	1.4
95.04977	0.6
95.08604	0.8
97.02893	1.2
105.07044	0.9
107.08609	0.6
109.10184	0.6
115.48608	0.5
121.10120	0.6
133.10126	0.8
145.10080	0.7
209.66446	0.5
258.76212	0.5
298.59930	0.6
323.38739	0.5
337.20331	0.5
350.67642	0.6
448.78400	0.5
491.25909	1.1
507.23782	0.8
621.68207	0.5
735.37024	100.0
736.37317	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	735.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05494	1.7
57.03433	3.5
57.07076	0.9
61.02918	7.0
61.66724	0.7
67.05497	6.6
67.27380	0.6
69.03419	3.2
69.07055	1.4
71.01350	1.0
71.05003	0.8
71.59338	0.7
73.02910	4.8
79.05473	5.7
81.03400	2.4
81.07035	5.8
83.01085	0.9
83.04964	1.0
83.08586	1.0
84.01881	2.2
85.02899	7.4
87.04440	1.1
91.03949	6.5
91.05468	3.2
93.07043	5.8
95.04944	2.0
95.08592	3.3
96.01907	1.1
96.57346	0.7
97.02885	5.9
97.06511	1.0
97.61098	0.8
98.22602	1.7
99.04436	1.2
101.02377	2.3
105.07022	2.4
107.08570	1.8
109.02862	1.5
109.06513	1.3
109.10127	3.7
117.05489	1.8
117.07013	1.4
119.08563	1.7
121.10126	3.8
123.04142	0.8
127.03902	2.5
129.05492	3.2
131.08571	1.5
133.10141	1.8
135.11681	1.6
145.04915	1.4
145.10027	0.8
147.11705	0.9
149.09561	1.0
173.13152	0.9
178.64072	0.8
181.04752	1.4
185.04184	8.1
195.06357	1.6
201.03726	3.0
203.05333	1.6
241.06944	1.0
243.08334	5.7
259.07861	0.8
263.12549	1.0
301.08905	18.0
302.64581	0.7
307.22772	2.4
315.10492	6.9
329.12137	1.6
341.11746	1.8
343.13712	3.1
357.15097	2.1
371.22180	1.2
373.10980	8.8
381.14725	0.7
383.16840	2.6
385.18210	11.2
387.12811	1.2
400.47534	0.9
401.14087	1.8
415.15799	1.5
427.15637	2.0
429.17334	1.5
435.19431	1.1
441.16919	4.1
455.19183	2.1
457.20224	2.1
461.21439	1.0
467.18829	1.7
469.20114	1.2
481.20276	3.4
482.21411	1.2
491.26086	20.7
495.21976	2.2
521.23267	2.5
525.26337	0.9
535.25116	1.1
550.27386	14.4
551.28131	1.3
563.28149	8.6
565.29987	1.0
577.29791	2.3
591.31433	2.3
605.32874	1.8
619.34338	1.1
633.36066	7.7
634.36511	10.3
637.41449	0.9
647.37341	1.0
649.31750	1.0
651.36835	3.5
666.83759	0.9
673.38904	1.2
675.36798	2.4
689.37994	1.4
717.38190	4.4
718.38861	1.6
735.38898	100.0
736.39044	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	735.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92923	0.6
53.03933	1.1
55.01850	0.7
55.05505	2.3
57.03421	1.6
61.02918	6.3
61.93039	0.5
63.86268	0.6
67.05499	6.0
69.03416	3.4
69.07066	0.8
71.04970	1.1
73.02902	5.0
79.05477	6.9
81.03409	2.4
81.07052	6.6
82.94399	0.6
83.04981	1.4
83.08582	1.2
85.02888	7.0
90.73453	0.5
91.03938	3.8
91.05466	4.1
93.07028	5.8
95.04960	1.9
95.08594	3.0
97.02876	4.4
99.04467	0.7
101.02361	1.4
103.03948	0.6
105.07027	2.2
107.04984	0.8
107.08599	2.4
109.02860	1.3
109.06451	0.8
109.10139	2.3
117.06998	1.1
119.08569	1.9
121.10123	4.1
123.11686	0.7
125.09629	0.6
127.03928	1.7
128.00638	0.5
129.07018	0.5
131.08554	1.0
133.10133	1.5
135.11723	2.1
145.10117	1.9
147.11696	1.0
153.12808	0.5
157.10114	0.7
159.11703	0.8
161.12970	0.6
163.11157	1.5
164.44081	0.6
181.12274	0.7
182.29807	0.5
185.04257	0.8
243.08469	1.4
267.11719	1.3
275.19986	0.7
285.11993	1.0
307.22705	1.3
441.21481	0.6
485.19531	3.7
491.26129	10.0
573.34686	0.8
600.33118	0.6
735.39063	100.0
736.39441	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	735.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01862	0.6
55.05508	1.7
57.03423	2.4
57.07058	0.6
61.02922	7.1
67.05495	7.1
69.03413	4.0
69.07062	1.5
71.04967	1.0
72.54442	0.5
73.02908	5.7
77.09177	0.5
79.05482	5.6
81.03409	3.1
81.07043	5.7
83.04972	1.6
83.08611	1.2
85.02890	6.8
91.03943	3.4
91.05466	3.3
93.07027	6.3
95.04955	1.6
95.08584	3.0
97.02887	6.5
97.06503	0.6
98.22701	1.7
99.04451	0.9
101.02341	2.6
105.07011	2.0
107.08580	2.2
109.02817	0.7
109.10154	1.8
115.03910	0.5
117.06992	1.1
119.08545	0.9
121.10117	3.2
127.03909	2.1
131.08588	0.9
131.31448	0.6
133.10071	1.1
135.11705	1.8
145.10139	1.5
147.11581	0.6
149.13243	0.7
159.11636	0.6
163.11133	1.2
173.13286	0.6
181.12262	0.6
201.33922	0.5
203.05220	0.7
216.67177	0.5
243.08498	1.7
267.12039	3.7
307.22586	1.4
340.03900	0.6
366.16660	0.6
441.17294	1.3
467.18634	0.7
485.19775	3.1
491.26102	9.2
515.31781	2.8
677.36926	9.3
678.37341	1.0
691.36377	1.9
699.32837	1.1
717.38043	1.6
735.39032	100.0
736.39075	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	737.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75055	0.6
53.03939	3.8
57.03442	0.6
69.03420	2.0
71.04984	3.0
79.05470	0.7
79.27479	0.6
81.03407	26.2
81.03886	1.4
82.03781	0.7
82.39314	0.5
83.31824	0.6
85.02888	9.0
87.04440	0.9
96.40987	0.5
97.02885	4.1
99.04446	7.4
103.03926	43.4
105.07059	0.7
108.01479	0.6
109.02865	41.8
119.21787	0.6
120.69760	0.6
127.03897	100.0
128.04286	1.1
145.04970	0.9
153.01851	0.6
157.04965	0.7
161.63739	0.5
169.04939	30.9
170.05214	0.7
187.06039	1.8
211.05969	2.0
229.07034	25.0
258.05246	0.6
287.05453	21.9
289.09143	8.6
402.76898	0.8
439.90384	0.6
449.10568	2.1
650.23560	0.7
730.28595	0.7
736.38550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01867	0.5
57.03423	0.8
57.50933	0.3
61.02915	0.8
69.03420	1.9
69.62913	1.2
71.04986	3.4
75.58161	0.3
79.09878	0.3
81.03407	30.6
83.01348	0.4
85.02894	14.1
95.94378	0.3
97.02880	14.2
97.40961	0.3
98.23382	0.5
99.04440	8.8
103.03939	2.5
109.02863	88.2
110.03179	1.0
112.47237	0.3
115.03922	0.7
127.03896	100.0
128.04214	1.3
139.03883	4.7
145.04942	1.1
165.97205	0.4
169.04939	22.7
170.05365	0.3
177.09099	0.4
187.05975	4.3
211.05956	0.9
229.07039	18.0
247.08168	1.0
257.04333	1.1
286.04129	0.3
287.05447	7.5
289.09106	6.6
311.05450	0.4
329.06674	0.4
374.86819	0.4
544.14703	0.3
557.12805	4.3
558.12976	0.4
718.14886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77487	0.3
53.03941	6.2
55.01855	1.4
59.04985	0.6
61.02913	0.5
65.01593	0.3
68.99770	0.4
69.03418	2.6
69.88821	1.1
70.88354	0.3
71.04981	2.2
79.74143	0.3
81.03405	15.1
83.01339	0.6
85.02885	3.0
97.02875	5.5
98.23320	0.5
99.04438	20.1
103.03922	4.8
108.47295	0.3
109.02860	35.3
110.03243	0.4
115.03958	0.5
121.02834	0.5
127.03892	100.0
128.04254	0.8
139.03871	0.9
139.11038	0.3
145.04927	11.7
145.06071	0.6
157.78099	0.3
163.47496	0.3
169.04930	8.7
187.05981	27.6
188.06303	0.6
211.06062	0.6
229.07034	25.5
230.07530	0.5
269.13824	0.3
287.05444	13.0
288.05759	0.5
289.09131	1.3
360.25079	0.3
449.10294	0.4
535.57495	0.3
639.70074	0.4
640.45569	0.3
755.95984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
67.01861	0.6
69.03419	7.1
69.62744	0.5
69.63112	0.8
71.04988	0.9
77.66296	0.3
81.03408	32.4
82.03761	0.3
85.02897	0.9
97.02882	13.3
99.04452	2.0
103.03915	0.4
109.02865	100.0
110.03192	1.4
111.00796	0.5
121.02871	1.3
127.03899	19.1
137.02322	0.3
139.03874	4.7
145.04926	0.3
147.04396	0.3
153.01802	1.6
165.01839	0.9
169.04936	13.8
170.05273	0.5
175.46198	0.3
183.02843	0.4
183.44122	0.2
185.05972	0.3
187.06039	1.6
213.05446	0.8
221.16557	0.3
229.07045	7.7
231.06535	0.5
241.04971	0.3
258.05255	0.8
263.05325	0.3
287.05457	96.6
288.05780	3.8
289.09164	0.6
377.06454	0.6
395.07532	0.7
437.08472	1.4
449.10718	8.0
450.11096	0.6
599.18762	0.3
653.63708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01873	0.2
57.03443	0.3
61.02918	0.5
69.03428	1.1
69.25115	0.7
69.25520	0.2
71.01316	0.2
71.04982	1.8
81.03407	26.5
82.03757	0.4
83.01324	0.3
85.02897	6.0
97.02880	12.3
97.30207	0.2
99.04440	5.9
103.03934	0.8
109.02864	100.0
110.03201	1.4
115.03936	0.2
119.04989	0.2
121.02847	0.4
127.03897	54.9
128.04230	0.7
139.03889	5.6
141.05470	0.3
145.04935	0.7
153.01823	0.2
169.04939	21.7
170.05240	0.4
172.50418	0.2
185.05893	0.2
187.05998	2.1
211.06032	1.1
229.07037	10.6
230.07312	0.4
247.07993	0.4
257.04443	0.2
271.08051	0.2
271.92096	0.2
287.05453	8.9
288.05881	0.2
289.09125	1.6
311.05228	0.2
316.12827	0.4
371.07593	0.2
443.81308	0.2
449.10535	0.2
513.20935	0.3
575.20776	0.2
737.25897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01871	1.1
55.05501	1.8
57.03434	1.9
58.06618	0.5
61.02920	4.2
64.59062	0.5
67.05499	7.0
68.39211	0.5
69.03432	2.0
69.07066	1.9
70.16431	1.0
70.16761	0.6
71.05024	0.5
73.02899	2.7
79.05474	3.1
81.03399	2.9
81.07047	3.8
83.04990	1.1
83.08602	1.1
85.02882	4.7
91.03938	1.3
91.05479	2.3
93.07039	2.5
95.04933	1.3
95.08609	1.5
97.02881	4.7
98.22713	0.6
99.04450	1.4
101.02373	1.6
105.03387	0.7
105.07048	1.5
107.04945	0.7
107.08575	1.8
109.02882	1.3
109.10141	7.2
111.08053	0.6
114.92690	0.7
117.07029	1.1
119.08591	1.1
121.10164	1.1
124.82065	0.6
125.09571	0.6
127.03925	2.2
129.05510	0.6
133.10098	0.9
135.08075	0.8
135.11760	0.9
137.09628	0.8
144.38716	0.7
145.10144	0.7
149.09576	0.8
151.11232	0.6
155.10651	0.7
159.07918	0.7
173.11742	1.2
185.04192	0.7
195.09966	0.9
229.14346	1.4
243.08420	3.8
246.52434	0.6
263.28531	0.6
291.19644	1.8
301.09091	0.7
347.18198	0.7
413.17813	9.9
455.18756	0.6
541.26093	0.7
557.34393	0.7
565.26068	4.1
611.30505	0.6
660.27258	0.6
698.43835	0.6
737.36969	100.0
738.37537	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	737.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01862	1.1
55.05499	2.7
57.03423	2.3
59.04972	0.6
59.33904	0.5
61.02918	4.4
65.03940	0.4
67.05491	8.9
69.03419	3.7
69.07063	2.0
71.01385	0.5
71.04986	1.2
73.02909	3.2
78.59570	0.4
79.05476	3.6
81.03402	3.1
81.05479	0.5
81.07040	6.8
83.04979	1.1
83.08615	2.3
85.02894	6.7
85.63575	0.4
87.04466	0.6
91.03947	2.9
91.05466	3.4
93.07025	2.1
95.04964	1.6
95.08596	1.9
97.02874	4.4
97.06537	0.8
97.10155	1.0
99.04436	1.3
101.02368	1.4
103.03918	0.5
105.07003	2.5
107.04926	0.6
107.08592	1.3
109.02879	1.3
109.06499	2.2
109.10142	7.6
111.04439	0.8
111.08085	0.9
115.03938	0.7
117.07030	1.2
119.08573	2.5
120.84793	0.5
121.06490	0.9
121.10121	1.0
123.08069	0.7
125.09593	1.1
127.03908	1.7
129.06990	0.5
131.08549	1.2
133.10101	1.1
135.08054	1.4
135.11626	0.4
137.09576	1.0
142.24995	0.4
143.08568	0.7
145.10106	0.7
147.08043	0.8
155.10762	0.4
157.10118	0.8
161.09619	0.9
162.84839	0.4
163.07556	0.4
163.11086	0.8
173.11722	2.5
175.11148	0.7
185.04222	1.1
193.12263	0.8
195.09981	1.0
203.05280	0.5
211.13383	0.5
227.12712	0.7
229.14384	1.8
243.08359	4.3
267.15820	0.8
273.18622	0.9
285.16882	0.6
287.12555	0.5
288.69772	0.4
291.19412	3.5
301.08951	0.8
347.18240	0.6
347.22278	0.6
365.23062	0.9
369.15164	1.0
409.23093	0.5
413.17715	11.1
439.19391	0.8
441.21234	0.5
467.19238	0.5
479.19043	0.7
485.20001	1.3
523.25122	0.6
557.34735	1.5
565.26099	4.7
639.30127	0.6
719.39703	0.7
737.37000	100.0
738.37408	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	737.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
54.63591	1.9
55.01868	6.9
55.05500	16.6
57.03432	8.3
61.02906	3.2
65.03918	3.3
65.48914	1.6
67.05494	32.6
69.03422	9.1
69.07060	8.4
71.04990	3.7
78.34641	1.7
79.05479	48.5
80.49059	1.8
81.03405	46.2
81.07044	100.0
83.04967	16.4
83.08602	13.7
85.02901	11.1
85.06523	2.5
85.49674	2.0
90.86073	1.6
91.03948	2.6
91.05463	27.5
93.07040	22.0
95.04948	22.3
95.08598	9.1
97.02866	12.1
97.06536	4.2
97.10169	8.5
99.04451	3.8
104.03525	1.5
105.04541	2.3
105.07011	21.8
107.04942	9.8
107.08593	11.5
109.02865	4.5
109.05746	2.8
109.06500	55.9
109.10141	6.9
109.28952	1.8
111.04412	12.0
111.08062	8.0
115.05442	2.7
117.07003	11.0
119.04868	1.6
119.08565	26.9
121.06479	8.4
121.10127	11.7
123.08064	6.9
123.11617	1.6
125.09612	6.9
127.03922	5.7
129.05453	2.5
129.06967	8.7
131.08572	15.1
133.06468	5.6
133.10086	7.8
134.48639	1.8
135.08064	4.9
135.11667	5.0
137.09628	4.6
143.08536	4.6
144.23312	1.6
145.10080	16.7
147.08025	9.6
147.11673	7.5
149.09630	5.0
153.12712	2.8
153.80194	1.7
155.08583	1.9
157.10042	7.8
159.08121	2.4
159.11707	4.7
161.09631	9.3
163.11188	6.9
165.09134	3.3
171.11531	1.7
173.09671	3.3
173.94754	1.6
175.11191	6.5
177.05524	1.9
181.12199	4.0
187.11095	2.4
189.11185	4.4
191.10645	4.3
193.12247	15.8
199.11185	2.3
211.13208	19.7
211.14848	2.1
223.13391	4.1
227.12753	6.0
229.14413	2.0
249.14865	5.8
255.17549	2.7
267.15878	16.7
273.18442	24.7
275.20004	3.9
283.15384	3.1
285.16830	7.8
291.19504	81.9
292.19855	2.5
347.22028	12.3
365.23178	18.9
429.21198	9.6
539.33545	6.9
557.34631	26.7
575.35681	9.1
701.38165	5.0
719.40155	8.5
737.36993	43.2
738.36749	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	738.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94867	0.3
53.03949	1.7
55.01860	0.7
57.03420	1.5
58.06583	0.4
59.04979	0.5
61.02919	1.7
69.03419	6.7
70.05733	0.7
70.06058	0.3
70.06587	1.5
71.01338	0.3
71.04982	1.1
71.21693	0.3
73.02888	1.6
73.86684	0.3
74.06055	0.3
75.04443	0.4
77.03896	1.7
79.05479	1.1
81.03416	2.5
82.06569	0.7
84.08185	0.4
85.02896	6.9
87.04446	1.6
89.01772	0.3
91.03924	0.5
91.05453	1.0
93.07042	0.4
94.06563	1.5
95.04961	6.3
96.08134	0.6
97.02883	3.4
98.06065	0.6
99.04457	0.6
101.02399	0.4
101.06066	0.4
105.03381	40.9
105.04512	2.0
105.07013	0.6
107.04965	0.5
108.08105	1.2
109.02886	1.5
109.06506	0.5
112.07582	0.4
115.05419	0.5
117.06986	0.6
119.04906	0.6
120.08086	0.6
121.06482	0.6
122.05991	0.4
123.04402	0.7
124.07581	1.1
125.02355	1.1
126.09116	0.5
127.03904	1.0
128.06227	0.5
129.06987	1.1
131.08511	0.4
132.08067	0.6
137.05984	0.4
138.09151	0.8
139.03908	0.3
141.06984	0.6
143.08542	0.7
144.08081	0.6
144.16437	0.3
145.02840	0.7
145.06488	0.7
145.08870	0.5
146.09645	0.5
147.04430	0.6
153.06996	0.6
155.08524	1.2
158.09628	0.8
160.11209	0.4
161.09654	0.4
164.07068	1.3
165.06987	0.7
167.07162	0.5
167.08505	0.7
168.10211	1.1
169.06477	0.3
170.09657	0.7
171.08047	0.6
171.10477	0.6
172.11234	0.7
174.10455	0.3
175.03899	0.5
177.05476	0.9
179.08557	1.0
181.10179	0.4
182.09691	0.3
184.11259	0.7
185.09625	0.6
186.12823	0.3
188.10703	0.6
191.08534	0.4
193.10098	0.5
195.07997	0.5
196.11267	0.5
197.09770	0.4
197.11958	0.4
200.10683	0.3
203.08560	0.6
205.10144	1.0
207.06493	1.0
208.06911	0.4
215.08591	0.4
219.08160	0.4
221.09665	0.4
223.11104	0.4
233.09666	0.8
235.11180	0.5
245.09541	0.3
251.10783	0.4
259.13422	0.3
261.09106	0.4
262.12198	0.3
263.10568	0.3
282.14655	0.3
286.12857	0.4
292.13269	0.3
293.11606	0.3
322.14569	0.5
354.17130	0.4
386.19244	0.3
444.18402	0.4
446.19348	0.4
462.19345	0.8
466.22574	0.4
468.20224	0.5
476.20740	1.5
482.21582	1.0
494.21741	3.8
508.23468	2.9
526.24316	5.8
540.26068	1.0
544.25433	0.9
558.26764	1.8
576.28186	1.6
688.29340	2.0
706.30554	0.6
720.31927	0.8
738.33215	100.0
739.33795	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	738.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03717	0.6
53.03936	3.1
55.01868	0.7
55.05502	0.7
57.03424	1.5
58.06595	1.5
60.98819	0.5
61.02921	2.7
68.97302	0.7
69.03416	8.7
70.06596	1.8
71.04992	1.9
73.02924	2.1
74.06087	1.0
75.04465	0.7
77.03928	2.3
79.05492	1.5
81.03398	4.1
82.06585	2.7
84.08139	0.8
85.02889	12.3
87.04490	2.0
88.07653	0.7
91.05500	1.8
94.06583	2.9
95.04955	12.2
95.05505	0.8
96.08134	1.4
97.02883	6.9
98.06034	0.8
99.04448	0.8
105.03383	73.0
105.04528	4.2
105.07005	1.0
107.04976	1.4
108.08144	2.1
109.02898	2.0
109.06509	1.6
111.04432	0.7
115.05490	1.0
117.07021	1.5
119.04950	1.1
119.08638	0.9
120.08162	0.6
121.06483	0.9
123.04398	1.5
124.07617	1.0
125.02364	1.2
127.03937	2.0
128.06218	1.3
129.07028	1.3
131.08589	1.3
132.08064	0.7
134.09686	0.8
137.05983	0.9
138.09149	1.9
141.07027	1.0
143.08537	0.8
144.08122	0.9
145.02878	1.2
145.06520	1.8
153.06979	1.3
155.08563	1.4
157.06516	0.8
164.07062	0.7
165.07007	0.9
165.52730	0.6
167.07166	1.2
167.08600	1.5
170.09715	1.4
171.08066	0.8
171.10286	0.6
172.11217	1.3
174.09142	1.0
177.05505	2.5
178.05013	0.7
178.07814	0.9
179.08595	1.3
181.10229	1.4
183.08055	1.0
185.05988	0.7
185.09660	1.6
188.10718	1.0
191.08571	0.8
193.10202	0.7
195.08150	1.8
196.11267	1.8
199.11327	0.7
203.08531	1.0
205.10321	1.1
206.04536	1.7
207.08110	0.9
209.09592	1.1
210.93369	0.7
211.11163	0.8
221.09679	1.0
223.11288	1.5
233.09708	1.2
235.11249	0.7
249.09258	0.9
251.10738	1.1
276.14023	0.8
322.14435	0.8
354.16888	1.8
368.18939	0.8
386.19739	1.8
476.20615	1.9
476.27219	0.8
494.21707	2.6
508.23401	2.5
526.24426	5.8
540.26013	5.1
544.25653	1.0
558.27185	4.2
688.28766	1.3
706.30988	1.5
720.32190	11.5
738.33209	100.0
739.33289	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	738.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01936	0.5
53.03937	2.1
55.01851	0.8
57.03426	1.9
58.06599	1.1
61.02916	1.7
67.05502	0.9
69.03429	5.6
69.30725	2.7
70.06586	1.8
71.04990	1.2
72.12407	0.6
73.02897	1.9
79.05482	1.6
81.03410	2.2
82.06594	1.0
83.04910	0.7
85.02895	7.9
87.04464	2.1
90.10413	0.6
91.05460	1.1
94.06569	1.2
95.04957	5.1
97.02877	4.6
97.06534	0.7
100.94055	0.6
105.03377	42.6
105.04525	1.6
105.07034	0.6
106.03733	0.7
108.08086	1.6
109.02885	2.5
109.06512	0.8
117.07024	0.9
120.08069	0.7
124.07574	1.5
125.02354	1.2
126.09119	1.0
127.03926	1.7
127.17496	0.6
128.06233	0.7
129.07002	1.1
137.05939	0.7
138.09181	0.7
141.07037	1.1
143.08540	0.8
144.08107	1.0
145.02893	0.8
145.06447	0.7
147.04373	1.1
148.19386	0.6
153.06929	0.8
155.08488	1.1
157.06497	0.7
158.09682	1.2
159.08116	0.9
164.06950	1.4
165.06973	0.8
168.10236	0.7
170.09618	0.8
172.11197	0.8
177.05502	2.2
179.08508	1.3
191.08525	0.8
193.10162	0.7
198.73866	0.6
203.08578	0.7
205.10088	1.1
206.04382	0.8
223.11290	0.7
233.09613	1.0
287.05560	1.1
336.83249	0.6
378.39172	0.7
394.76059	0.7
476.20761	2.1
482.21973	1.3
494.21619	4.6
503.02722	0.7
508.23117	2.3
526.24280	5.8
558.27338	1.7
576.27991	2.1
677.87378	0.9
688.29468	2.0
738.33191	100.0
739.34082	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	738.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	2.4
53.03943	2.7
55.01859	3.8
55.05503	13.7
57.03430	14.7
59.04996	3.0
65.03947	1.3
67.05494	16.5
69.03413	3.9
69.07055	3.0
69.64133	3.4
71.01345	1.6
71.04983	2.5
73.02899	1.8
79.05482	16.2
81.03407	63.7
81.07047	19.5
83.04961	6.3
83.08607	21.2
85.02877	2.4
85.06516	1.2
91.04936	1.8
91.05470	27.2
93.07034	18.5
94.40654	0.9
95.04957	22.1
95.08585	8.6
97.02869	6.4
97.06516	3.0
97.10155	5.0
98.23340	1.0
99.00809	11.0
99.04456	1.4
103.05399	1.0
105.03390	5.3
105.07019	21.0
107.04941	10.9
107.08580	9.4
109.02866	10.1
109.06493	7.9
109.10139	4.4
111.04408	4.9
111.08056	8.5
115.03928	1.6
115.05415	1.5
117.06989	4.7
119.08556	14.3
121.06509	7.3
121.10136	5.8
123.04423	2.2
123.08031	2.2
123.11656	1.2
125.09607	4.5
127.03879	2.3
128.06187	2.0
129.06981	7.8
131.08549	7.3
133.06462	3.7
133.10114	29.4
135.08026	2.8
135.11694	3.1
137.05936	1.2
137.09619	2.6
139.07536	2.7
142.07802	1.2
143.08560	5.2
145.10095	3.4
146.85016	1.0
147.08029	2.3
147.11684	6.3
149.09605	4.1
151.11185	9.2
153.09157	1.3
157.10126	7.9
161.09593	17.2
163.11125	3.0
171.08015	2.3
173.09645	1.0
175.11197	6.4
179.10680	8.2
189.09077	8.9
189.11200	4.7
193.12218	15.1
197.11748	1.9
207.10127	2.7
209.11743	3.3
211.11273	1.0
211.13194	2.6
219.13786	5.8
225.11163	10.2
227.12741	4.5
243.12259	1.4
249.14795	1.2
249.21446	0.9
259.68454	1.0
263.12833	1.5
267.15875	82.8
268.16202	2.4
281.13800	5.4
283.15396	6.6
299.14856	66.4
300.15268	1.6
301.16443	1.2
303.04962	4.0
304.05341	3.0
371.22375	1.6
381.20599	1.2
389.23410	1.5
417.22433	1.6
445.20804	1.1
445.26001	8.3
454.45093	1.2
459.27344	1.6
463.26917	7.2
473.25305	26.0
491.26324	100.0
492.26544	5.0
509.27240	6.4
523.29089	1.5
533.27740	2.6
578.23474	2.1
635.29724	1.3
707.87982	1.0
738.23126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01865	8.5
55.05500	31.0
57.03431	22.7
59.04994	31.6
61.02913	3.8
65.03906	2.4
67.05495	78.0
69.03422	7.5
69.07049	8.3
71.01339	2.0
71.04980	10.5
71.44137	1.4
71.44509	1.6
73.02905	2.4
79.05479	24.9
81.03405	20.7
81.07044	30.4
82.03754	1.3
83.01324	7.5
83.04983	9.4
83.08611	19.8
85.02894	10.6
85.06539	3.9
87.04455	46.2
91.05465	17.1
93.07034	26.1
95.04952	13.0
95.08597	15.9
97.02886	7.9
97.06505	7.9
97.10152	12.6
99.04443	11.9
105.03378	8.6
105.04566	1.5
105.07021	10.2
107.04931	8.3
107.08574	18.6
109.02871	1.4
109.06480	7.1
109.10141	56.7
111.04453	3.3
111.08058	4.3
117.07008	5.7
119.08556	15.0
121.06487	4.5
121.10117	10.1
123.08017	7.6
125.09606	8.9
127.03931	2.7
129.07018	2.5
130.07767	2.2
131.08568	4.7
133.10095	4.2
135.08012	4.3
135.11685	14.9
137.09634	4.4
139.65198	1.2
145.10106	20.6
147.08003	3.4
147.11697	1.8
149.09560	1.7
153.12755	4.1
154.03601	1.3
155.08604	1.5
155.10718	3.4
163.11163	29.5
163.12448	2.6
164.11517	1.7
173.09612	4.9
173.11693	19.3
180.93263	1.3
181.12251	6.8
187.31725	1.3
191.10646	4.2
192.66797	1.4
193.12277	2.3
199.13237	8.0
209.11688	8.9
211.13289	2.7
223.13383	2.2
227.12772	19.8
229.14325	58.6
235.07532	1.6
247.07524	2.6
255.13655	1.6
257.13718	1.8
262.09872	6.1
263.06870	1.9
267.15781	7.8
278.09286	5.4
279.10025	1.9
283.15366	74.0
284.15607	2.2
293.11646	18.9
293.48267	1.4
294.12366	3.9
299.14828	2.8
310.14380	4.3
311.14709	2.7
315.17929	4.3
338.13797	8.6
400.51263	1.3
407.24344	1.7
424.57422	1.2
425.25049	7.1
437.25266	100.0
438.25430	3.2
459.27692	1.9
477.28003	1.4
491.26205	4.0
509.27170	3.3
523.28979	3.5
541.30518	2.2
613.51538	1.5
738.29242	8.3
739.36853	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.4
55.01866	3.4
55.05504	26.2
57.03423	10.4
65.03947	4.4
67.05153	5.8
67.05496	66.2
69.07050	16.8
69.77372	6.7
69.77733	6.3
79.05480	78.5
81.03397	6.3
81.07053	55.8
83.04967	11.9
83.08590	7.9
91.05476	48.0
93.07035	79.2
95.04960	15.3
95.08598	46.2
97.06512	6.9
105.04510	5.2
105.07018	40.3
107.04954	5.5
107.08570	24.1
109.06515	4.0
109.10129	8.5
117.06979	5.1
118.70091	3.1
119.08569	18.3
121.10115	12.4
123.08096	4.4
129.06987	8.2
131.08540	9.9
133.10123	8.8
135.11693	5.4
135.52132	3.6
137.77945	3.9
143.08517	7.3
145.10086	7.7
147.11649	26.2
161.13191	10.0
166.82765	3.5
171.11653	14.5
189.12708	6.1
207.13786	18.2
243.20892	3.8
281.17407	46.0
335.22150	4.5
335.25787	46.4
340.81348	3.3
487.41006	3.3
541.38782	100.0
542.39148	6.6
691.98846	4.0
714.20648	4.0
758.34637	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	739.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01870	0.7
55.05500	1.6
57.03435	1.5
61.02922	4.3
67.05498	7.0
69.03418	2.6
69.07058	1.4
69.93022	0.6
69.93322	0.5
71.01357	0.4
71.04989	0.5
73.02908	2.7
79.05479	2.2
81.03409	2.2
81.07053	3.2
83.04977	0.7
83.08619	1.2
85.02895	4.6
85.06525	0.5
87.04466	0.4
91.03947	2.5
91.05473	1.7
93.07029	1.7
95.04969	1.1
95.08598	2.0
97.02888	3.7
97.06538	0.8
97.10170	1.0
99.04437	0.9
101.02388	1.6
105.07041	1.0
107.08626	1.1
109.02913	0.8
109.10142	8.0
111.04468	0.7
111.08091	0.7
115.03855	0.4
119.08584	1.0
121.10161	0.8
123.08080	0.6
125.09608	0.9
127.03909	1.1
131.08524	0.6
133.10153	0.5
135.11700	0.5
137.09590	0.8
145.10062	0.7
147.11729	0.4
153.12659	0.4
155.10698	0.5
157.10129	0.7
159.11688	0.4
163.11211	0.8
173.11714	2.0
185.04295	0.7
189.11331	0.4
195.09949	0.9
199.11195	0.3
201.34358	0.3
203.05368	0.6
229.14433	1.5
243.08339	3.4
301.09039	1.1
304.09317	0.4
324.11884	0.4
338.13611	0.7
339.13849	0.4
349.19824	3.0
369.15430	1.2
370.15613	1.1
371.16211	0.6
373.10574	0.4
385.18027	0.5
405.22412	0.6
413.17761	10.3
414.18176	0.6
449.50699	0.4
451.19852	0.5
451.43585	0.4
485.20050	0.9
497.19772	0.5
519.49591	0.4
527.24670	0.5
567.27625	6.3
623.29980	0.6
739.38629	100.0
740.39124	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	740.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
58.06588	1.2
67.05490	0.6
69.03416	2.3
70.51132	1.1
77.03918	2.8
79.05484	2.5
81.03405	5.8
81.07037	1.1
85.02895	2.4
91.05462	5.0
93.07035	7.3
95.04954	16.9
97.02876	13.1
99.04445	2.0
103.05437	5.1
105.03378	100.0
105.04396	6.7
106.03738	1.2
107.08543	0.5
109.02866	6.4
109.10159	0.6
113.79742	0.5
121.06489	52.7
122.06844	0.9
123.04408	5.1
123.15790	0.5
127.03902	7.9
128.97960	0.5
130.45071	0.6
131.08606	0.7
153.44540	0.6
166.12245	23.0
173.09615	0.6
177.05469	1.2
187.05960	3.3
231.06537	1.2
249.07536	10.0
267.08575	1.5
288.05569	0.6
291.08542	0.8
301.16479	0.6
306.93384	0.5
309.09729	2.7
402.87680	0.5
432.20224	5.4
719.88031	0.5
740.28894	28.7
741.29572	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03733	0.2
53.03940	2.7
55.01863	0.4
55.05500	0.4
57.03430	0.3
58.06590	1.3
62.54689	0.3
64.21159	0.3
65.03954	0.5
67.05484	0.9
69.03416	2.7
69.07041	0.4
69.69212	0.3
71.04984	0.6
77.03919	2.9
79.05473	1.5
81.03410	6.6
81.07049	0.6
83.04974	0.4
85.02901	2.9
91.05466	4.8
93.07037	5.8
93.77032	0.3
95.04959	16.2
95.08592	0.5
96.05321	0.5
96.64477	0.3
97.02882	6.6
99.04439	1.3
103.03973	0.4
103.05453	4.1
105.03381	100.0
105.04389	5.9
105.06994	0.7
106.03680	1.9
106.75858	0.3
107.04989	0.4
107.08521	0.4
109.02863	6.0
109.10154	0.5
111.04456	0.5
119.08621	0.4
121.06490	49.4
122.06796	1.1
123.04417	1.3
127.03891	6.7
136.40785	0.3
137.05974	0.5
145.04874	0.5
145.10065	0.4
163.11198	0.4
164.10643	0.4
166.12259	18.6
169.04895	0.4
178.24915	0.3
187.06006	3.5
197.97830	0.3
200.61151	0.3
231.06532	2.4
237.77544	0.3
249.07532	4.2
267.08609	0.6
283.15466	0.3
291.08521	0.5
299.14566	0.4
309.09631	1.7
432.20105	5.9
525.26660	0.4
668.06097	0.3
740.29022	22.2
741.29041	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.03549	0.6
55.05487	0.8
57.99578	0.7
58.06577	0.7
65.03919	0.7
66.37614	0.7
67.05500	1.1
69.20531	0.7
69.23608	0.6
70.06592	1.0
70.26375	1.8
70.27225	0.6
72.04517	0.7
74.06067	1.7
77.03920	2.7
79.05487	1.1
81.03384	0.9
81.07058	1.5
82.01984	0.6
86.06061	1.8
90.92400	0.6
91.05467	20.6
91.15575	0.6
91.66389	0.7
93.06991	0.7
94.06564	1.5
95.04954	18.8
95.08578	1.0
96.05343	0.6
102.05588	0.6
105.03377	77.3
105.04405	6.8
105.06985	3.4
106.03681	0.9
107.08598	0.8
108.08080	1.2
110.06020	1.6
111.40978	0.6
115.05555	0.6
117.07061	0.9
119.04913	1.1
119.08605	1.3
121.06429	0.9
128.06197	1.0
129.06973	2.1
131.08551	1.5
132.08083	1.1
143.08522	1.3
144.08066	0.9
145.06519	0.8
145.10126	0.8
146.09651	1.6
155.08495	3.2
157.08890	2.0
158.09605	5.8
160.07590	0.9
165.06967	1.5
167.08521	0.9
169.10078	1.0
171.08023	1.8
172.11096	0.9
173.08331	1.0
174.09142	2.5
178.07803	1.4
179.08652	1.6
181.08679	0.9
181.10161	1.2
182.09703	0.7
188.10741	1.0
191.08507	1.0
192.09331	3.5
193.10117	3.0
193.22243	0.6
195.08241	0.9
195.11736	0.7
198.09048	0.8
200.10680	0.7
202.07669	1.0
203.08537	2.0
204.09398	2.0
205.10117	2.0
207.11746	4.6
209.13261	1.7
215.08446	0.8
216.09351	1.4
217.10056	2.0
218.10925	4.0
219.11667	4.5
221.13199	2.2
223.11206	0.8
228.09360	1.8
231.11668	0.9
233.13197	6.3
234.12811	1.6
235.11140	1.3
235.14832	0.7
243.11725	1.7
248.14087	0.9
249.12788	2.2
250.12512	1.1
250.15916	0.8
251.14218	1.0
258.12674	1.3
259.13544	1.1
260.14380	1.2
261.12775	2.2
264.17416	0.9
274.15845	6.2
276.13965	1.2
290.15393	2.4
292.16919	6.7
302.15222	1.6
308.16333	0.7
310.18002	2.1
320.16504	4.3
334.17987	1.5
338.17593	4.3
341.14960	0.8
352.18976	2.5
362.17484	1.2
380.18491	2.5
394.20065	1.6
398.19623	2.5
440.20636	2.6
516.24042	1.0
517.96356	0.7
558.24847	1.1
604.25165	2.4
618.26520	3.6
680.28259	2.1
739.38562	1.5
740.30194	100.0
741.30756	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	740.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
55.01862	10.1
55.05499	11.4
57.03426	14.9
58.06572	2.8
61.02905	2.1
65.03934	2.2
67.05155	2.7
67.05492	42.2
69.03418	9.9
69.07040	7.5
71.04988	4.6
77.03879	2.9
79.05475	40.7
81.03403	88.1
81.07041	36.1
83.04960	21.1
83.08611	17.9
85.02895	11.1
85.06517	5.2
86.03230	3.0
87.04457	2.2
91.05465	36.3
93.06443	2.4
93.07027	43.9
95.01315	2.6
95.04957	44.3
95.08591	16.3
97.02871	15.9
97.06492	12.4
97.10136	5.0
99.04421	6.9
99.08091	2.8
103.05447	4.0
105.03372	48.8
105.04472	4.2
105.07014	23.2
107.04942	34.8
107.08575	20.7
107.53046	2.2
109.02853	16.7
109.06480	6.6
109.10115	10.0
110.03217	3.3
111.04430	31.1
111.08078	11.6
115.05441	3.4
117.06987	12.3
119.04953	3.0
119.08552	25.6
120.36755	2.1
121.06487	37.9
121.10121	36.1
123.04398	5.6
123.08048	4.5
125.05959	3.0
125.09649	3.1
127.03899	11.4
128.04210	2.2
129.07004	10.9
131.04936	4.9
131.08531	20.8
133.06480	5.9
133.10115	6.4
135.08035	6.2
135.11676	30.6
137.05988	3.3
139.03865	2.3
143.08595	2.5
145.04956	2.8
145.06461	10.8
145.10083	41.2
147.04309	2.3
147.08022	6.6
147.11685	8.4
149.09579	10.0
153.12715	13.8
155.08493	9.7
157.10086	12.3
161.05945	3.9
163.09767	2.6
163.11134	43.9
163.12424	3.4
165.12720	3.4
166.12236	9.0
173.09602	22.5
175.11118	7.1
181.12206	19.0
187.05956	3.4
191.10623	19.2
193.12204	19.7
209.11691	6.5
211.13303	4.8
212.04648	2.1
227.12737	17.0
231.13782	2.5
240.70810	1.7
241.14308	2.2
249.07671	3.0
265.14316	41.8
267.15866	80.3
267.18735	4.5
268.16333	3.7
271.13168	2.9
275.12146	1.9
283.15350	82.9
285.16794	2.1
301.16443	75.8
302.16711	2.7
303.04880	3.6
304.05112	6.1
305.05515	5.1
306.05585	3.3
324.80731	1.9
353.07645	2.1
365.20905	2.2
383.22195	5.7
401.23050	3.1
419.23935	2.4
432.20224	2.4
444.25320	2.3
447.27350	8.8
457.25842	23.4
475.26859	93.8
476.27124	4.1
486.80576	2.1
493.27878	100.0
494.28006	5.5
525.30341	3.0
535.28918	2.6
740.28436	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	740.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.1
55.01871	2.3
55.05503	12.7
57.03429	9.7
57.03696	0.4
57.07045	1.1
59.70319	0.4
61.02881	0.9
61.66636	0.4
65.03899	1.9
67.05494	40.6
68.05782	0.5
69.03379	1.9
69.07055	12.2
69.96203	1.2
71.04991	2.8
73.02840	0.6
77.03887	1.1
79.05480	34.5
81.03396	2.5
81.07043	42.9
82.07343	0.7
83.04980	3.2
83.08607	7.6
85.02852	0.8
85.06494	1.1
91.05462	17.2
93.07028	48.5
94.07337	0.6
95.04420	0.6
95.04951	7.9
95.08590	49.1
97.02866	3.2
97.06511	4.4
97.10137	2.3
98.23354	0.7
99.04456	2.4
99.07999	0.5
103.05394	1.0
104.24766	0.5
105.04449	1.5
105.07015	11.9
107.04951	5.9
107.08578	28.8
109.06509	2.3
109.10145	11.3
111.04365	1.5
111.08032	1.5
115.05370	0.8
116.06208	0.6
117.06183	0.5
117.06990	8.6
119.07754	0.6
119.08566	11.7
121.06485	4.1
121.10124	18.9
123.08004	1.2
123.11668	2.9
125.05935	2.2
129.06984	0.9
130.07700	1.4
131.08537	4.8
133.09192	0.6
133.10115	6.8
135.08005	1.9
135.11667	40.0
136.11974	0.9
137.09558	1.0
137.13173	0.6
139.07466	1.5
143.08511	0.8
145.10104	23.3
146.10362	0.5
147.11659	3.4
149.13257	3.0
153.12688	1.1
159.11646	2.5
161.13211	2.2
163.11154	42.9
163.14758	1.4
164.11407	0.7
173.09541	1.1
173.13242	1.8
175.14772	0.9
177.16278	0.6
181.12199	7.1
187.14731	0.7
203.42409	0.5
205.15771	0.5
209.11685	0.8
227.12740	52.6
228.13081	1.1
243.21048	2.0
261.22119	7.1
263.65488	0.5
283.15353	52.0
284.15668	1.5
313.99002	0.4
317.24661	2.3
333.43079	0.5
335.25739	100.0
336.26083	4.0
373.87991	0.4
543.36725	74.3
544.37067	5.6
557.84198	0.6
678.65112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
53.77378	0.8
55.01860	5.0
55.05502	19.9
56.98029	0.7
57.03431	11.0
57.07067	2.1
61.02914	1.5
61.74838	0.9
62.82399	0.7
63.72789	0.7
65.03928	3.1
67.05495	51.8
69.03419	2.2
69.07058	17.2
69.07438	1.1
69.77880	0.7
71.04982	5.4
71.08614	1.0
73.02918	1.9
77.03907	1.2
77.75099	0.8
79.05480	47.7
81.03403	4.2
81.07043	53.9
83.04522	0.8
83.04960	4.6
83.08605	13.6
85.02904	2.7
85.06511	1.6
91.03960	1.1
91.04936	1.4
91.05466	19.1
93.06173	1.1
93.07030	61.5
95.04951	11.1
95.08591	66.4
96.08952	0.9
97.02869	4.7
97.06516	5.0
97.10176	2.3
99.04445	3.6
99.08083	0.9
103.05443	1.2
105.04523	1.8
105.07019	15.1
107.04935	10.0
107.08576	40.0
109.06501	4.1
109.10130	13.1
111.04433	1.5
111.08072	2.1
113.05970	1.1
117.07002	15.8
119.08563	15.0
121.06492	5.5
121.10122	22.9
123.08045	1.8
123.11687	3.6
125.05978	2.5
125.09653	1.0
129.07115	0.8
130.07787	1.5
131.08533	6.2
133.10103	7.3
135.08026	3.2
135.11674	53.8
136.12003	1.0
137.09625	0.8
137.13289	1.1
139.07524	1.5
143.08507	0.9
145.10101	34.3
147.11644	2.9
149.13229	4.6
149.23256	0.8
153.12872	0.9
159.11642	2.3
161.09641	0.8
161.13245	2.2
163.11156	66.3
163.14818	2.0
164.11530	1.4
173.09634	1.5
173.13213	3.1
175.14825	1.5
177.16220	0.8
181.12199	13.1
184.01981	0.8
187.13031	0.8
187.14728	1.7
193.15579	1.0
201.16513	0.9
209.11693	2.1
227.12743	78.1
228.13081	1.8
243.21078	2.8
261.22092	10.3
275.20050	1.0
283.15353	98.0
284.15634	2.3
294.30859	0.8
317.24670	2.6
335.25751	100.0
336.26093	3.3
381.22513	1.1
401.90002	0.8
469.32626	1.1
543.36700	87.0
544.37061	5.6
561.37036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01865	6.3
55.05504	20.3
57.03428	14.7
57.07070	1.4
59.04997	2.6
61.02914	5.2
65.03931	2.5
67.05492	47.2
69.03419	2.3
69.07056	8.6
70.70848	1.6
71.01345	1.1
71.04985	4.9
75.33173	0.9
77.03929	1.1
79.05482	37.3
81.03412	9.9
81.07043	46.1
83.01335	7.3
83.04969	11.2
83.08609	13.8
85.02886	7.0
85.06541	1.6
91.03958	1.9
91.05469	22.7
93.07030	42.7
95.04956	9.3
95.08592	32.2
97.02894	4.8
97.06523	4.4
97.10170	4.5
99.04425	2.0
99.08064	1.5
105.04535	2.8
105.07013	14.0
107.04949	5.7
107.07842	1.7
107.08573	26.2
109.06512	7.4
109.10136	13.8
111.04452	2.6
111.08082	2.7
117.07007	8.6
119.08576	15.6
120.65679	1.0
121.06499	3.3
121.10120	20.1
123.08047	8.4
123.11694	4.4
123.26616	1.1
125.09637	2.0
129.06952	1.7
130.07785	2.0
131.08540	9.2
133.10095	7.9
135.08040	2.2
135.11670	19.4
135.12639	1.7
137.09669	2.6
143.08586	1.4
145.10101	19.3
145.11195	1.2
147.08026	2.1
147.11647	5.7
149.13220	4.6
153.12732	2.1
155.08513	1.8
158.45183	1.2
159.11668	4.2
161.13234	3.0
163.11151	21.1
163.14828	2.7
169.01117	1.2
173.09605	4.1
173.13303	3.9
175.14874	1.8
181.12234	3.9
184.07327	1.3
185.13231	1.6
187.14796	1.7
189.11182	2.5
191.10674	3.5
201.16309	1.2
209.11642	7.1
227.12723	9.9
243.21040	4.9
259.20563	1.4
261.22067	12.7
267.16034	1.9
283.15356	100.0
284.15826	2.4
299.23776	6.0
317.24774	3.4
333.24133	1.3
334.42026	1.0
335.25751	73.9
336.26190	1.6
371.76385	1.1
433.30679	1.4
451.32043	2.5
469.33459	2.0
487.34659	1.8
516.13770	1.3
525.35693	4.5
543.36768	41.9
544.36993	3.0
561.37317	3.1
577.99188	1.1
588.44684	1.0
758.35834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01855	8.7
55.05255	1.7
55.05503	22.5
57.03434	13.9
57.07063	3.3
59.04993	2.7
60.31233	1.2
61.02921	7.6
62.04178	1.2
65.03930	2.5
67.05495	51.9
69.03412	2.9
69.07056	16.1
70.70749	2.6
71.04997	5.9
73.02917	1.5
79.05479	49.4
81.03383	9.5
81.07043	54.2
83.01334	7.1
83.04969	9.5
83.08611	13.0
85.02885	6.8
91.03940	1.8
91.05463	25.9
93.07027	53.2
95.04951	11.8
95.08591	37.6
97.02863	4.8
97.06516	4.8
97.10136	4.0
99.04437	2.6
99.08053	1.5
105.04521	2.8
105.07013	16.2
107.04923	7.1
107.08580	30.0
109.06517	5.9
109.10128	14.1
109.20518	1.2
111.04413	2.0
111.08041	2.1
117.06998	8.3
117.83372	1.2
118.21204	1.4
119.08562	16.4
121.06494	3.7
121.10134	22.3
123.08037	8.0
123.11687	4.7
125.09604	3.1
129.06961	1.7
130.07765	2.2
131.08542	10.6
133.10117	10.4
134.63029	1.3
135.08020	3.4
135.11684	20.5
137.09543	2.6
137.13225	1.3
145.10097	19.3
147.11667	5.1
149.13208	6.1
153.12724	1.8
155.08557	2.2
157.10143	1.4
159.11671	5.2
161.13243	4.3
163.11156	23.3
163.14809	3.1
171.11592	1.8
173.09593	3.0
173.13260	4.0
175.14827	1.2
175.61830	1.2
177.16373	1.3
181.12228	2.7
185.13249	1.3
187.14757	3.1
189.11212	3.5
191.10632	2.6
193.12076	1.8
209.11641	6.3
227.12735	10.9
243.21060	5.3
259.20438	2.1
261.22128	19.0
283.15353	99.0
284.15631	3.3
299.23596	3.5
308.08017	1.2
317.24759	4.0
335.25742	100.0
336.26044	4.7
381.22876	2.1
399.19550	2.2
412.97964	1.3
451.31879	3.2
469.32855	3.1
525.35913	2.7
543.36731	72.7
544.36920	4.8
561.37726	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	742.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03695	0.2
53.03937	3.0
55.01853	0.6
56.05014	0.5
58.06590	0.2
60.04499	0.1
64.26863	0.1
65.03930	0.2
67.05486	0.4
70.69930	0.3
72.04514	0.3
74.06064	0.8
77.03909	4.9
79.05475	1.0
80.05006	0.2
81.03400	0.6
81.07060	0.2
82.06580	0.3
84.04489	0.2
84.08125	0.3
86.06053	0.5
91.05466	1.3
93.07015	0.4
93.44154	0.1
94.06551	1.1
95.04950	22.5
96.04487	0.2
96.05286	0.2
96.08122	0.5
98.06009	0.2
98.56448	0.1
103.05466	0.3
105.03374	100.0
105.04403	9.0
105.06985	2.3
106.03710	1.4
107.04946	0.4
107.07306	0.4
107.08565	0.2
108.08102	1.2
110.06020	0.6
112.07607	0.2
114.05466	0.2
115.05444	0.6
116.07124	0.1
117.05762	0.2
117.07002	1.1
118.06527	0.4
119.04919	1.4
119.08583	0.4
120.08082	0.5
121.06499	0.9
122.06034	0.4
123.06800	0.2
124.07584	1.8
128.06229	0.3
129.06979	1.5
130.06445	0.1
131.04942	0.2
131.07346	0.3
131.08549	0.9
132.08049	0.9
133.05574	0.2
133.06464	1.1
134.05959	0.3
134.09644	0.3
135.04387	1.1
135.07967	0.2
136.07530	0.8
137.05965	0.4
138.09105	0.2
141.06999	0.4
142.07800	0.1
143.08571	0.7
144.08057	1.6
145.06450	1.6
145.08850	0.5
146.06018	0.1
146.09625	1.4
147.06909	0.2
147.07997	1.0
148.07541	1.1
150.09135	0.7
153.06950	0.4
154.07701	0.2
155.08498	0.9
157.06461	0.4
157.08846	0.6
157.10081	0.3
158.09630	1.4
159.08052	0.5
160.07550	0.9
160.11172	0.5
161.06049	0.2
161.08461	0.3
162.09142	0.9
163.07457	0.2
164.07030	0.3
164.10732	0.3
165.06894	0.8
166.07443	0.2
166.08762	1.1
167.07381	0.2
167.08484	0.8
169.06453	0.2
169.10075	0.2
170.09785	0.3
171.08029	0.6
171.10472	0.3
172.07568	0.6
172.11237	0.4
173.08340	0.4
174.09116	5.8
175.07530	1.0
175.09763	0.2
176.10713	0.4
178.07643	1.1
179.08482	1.5
180.09145	0.3
181.06464	0.2
181.08780	0.3
181.10150	1.0
182.09625	0.3
183.08061	0.3
184.07617	0.2
184.11182	0.2
186.09180	0.4
187.07518	0.2
187.09973	0.4
188.10666	1.2
190.08684	3.3
191.08467	0.9
192.09102	1.4
193.10100	2.6
194.09473	0.2
195.08083	0.6
195.10135	0.2
195.11710	0.6
196.11247	0.4
197.09734	0.2
198.09084	0.4
200.10704	0.3
202.07625	0.7
203.08475	1.6
204.09259	2.2
205.10088	2.7
205.11806	0.2
206.10892	0.7
207.08080	0.5
207.11681	1.7
208.08911	0.3
208.11267	0.3
209.09581	0.4
209.13286	0.4
211.09668	0.2
212.10730	0.6
213.09134	0.2
213.11263	0.2
214.12292	0.2
215.08537	1.2
216.09239	2.4
217.10123	1.2
218.07455	0.2
218.11089	0.7
219.08052	0.5
219.11665	4.3
220.08844	0.2
220.12219	0.2
221.09631	0.6
221.13351	0.8
222.12823	0.2
223.07686	0.2
223.11246	0.5
224.10806	0.4
226.12309	0.2
228.09410	0.4
229.10086	1.0
230.11105	0.2
231.08220	0.2
231.11703	2.7
232.09000	0.6
232.11340	0.5
233.09758	1.0
233.13397	0.3
234.10715	0.3
234.12895	0.5
235.11218	1.3
236.10617	0.2
237.12714	0.6
238.12225	0.5
240.10170	0.3
242.11728	1.7
243.11734	0.4
244.08951	0.3
244.11285	0.5
245.09567	0.4
245.12041	0.5
246.10518	0.3
246.12811	1.1
247.11208	2.1
247.13637	0.6
248.14391	0.4
249.12846	0.9
250.12483	0.3
251.10710	0.3
252.13828	0.3
252.17281	0.1
256.11252	0.3
257.12073	0.6
258.12842	0.5
259.11237	1.2
259.13568	0.3
260.14310	1.5
261.12549	0.3
261.15189	0.4
262.09851	0.2
262.12433	0.5
262.15799	1.0
263.10751	0.3
264.13748	0.7
265.12198	0.7
266.11765	0.3
272.14322	0.9
274.12219	0.8
275.12952	0.5
276.13864	0.4
277.12198	0.6
278.12128	0.3
278.15399	0.8
279.16223	0.3
280.13699	0.3
280.17023	0.7
281.11786	0.2
284.12872	0.9
288.13776	1.0
289.14600	0.2
290.15344	3.7
291.16000	0.2
292.13232	0.4
292.16702	0.2
293.14026	0.2
296.12903	0.3
300.13882	0.4
303.12595	0.2
306.14703	0.8
308.16327	2.2
310.14325	0.3
318.14856	1.2
326.17520	0.4
336.15829	2.3
337.16251	0.2
348.16031	0.2
350.17422	0.7
354.16910	1.1
368.18649	0.4
378.17099	0.6
396.17941	0.9
410.19470	0.3
412.18839	0.4
414.19186	0.3
438.18915	0.2
440.18930	0.2
456.19879	0.8
458.19855	0.3
472.20950	0.8
490.22565	0.1
498.21362	0.2
500.20950	0.3
518.21857	1.1
532.23572	0.2
560.22888	0.6
562.23102	0.2
578.23877	0.5
620.24731	3.7
621.25616	0.2
682.26178	2.1
683.26996	0.2
742.28400	82.0
743.28650	8.0
763.87781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
72.04530	0.7
77.03912	4.8
84.08143	0.6
91.05481	1.3
95.04953	20.6
98.23486	1.3
105.03377	100.0
105.04408	8.7
105.06995	1.5
106.03705	1.8
110.06030	1.2
112.07583	0.7
117.06987	1.1
118.06609	0.5
119.08598	0.8
123.58167	0.6
129.07005	1.0
141.06995	0.6
143.08562	0.8
144.08057	1.7
145.06461	1.5
146.09622	0.8
148.07556	1.3
155.08563	0.8
157.08813	4.9
158.09647	0.9
160.07549	3.9
161.08357	0.6
162.09151	1.2
165.07033	0.9
167.08582	1.3
171.08118	0.7
172.07553	1.1
173.08351	3.5
174.09108	3.0
178.07774	1.0
179.07108	0.6
179.08536	1.2
181.10172	0.7
182.09669	0.6
183.10384	0.6
190.90163	0.7
191.08678	1.3
192.09344	1.2
193.10132	2.1
195.08043	0.7
198.09142	1.1
202.07764	0.7
203.08540	1.4
204.09354	1.5
205.10168	2.0
207.11760	1.2
208.11119	0.9
209.09760	0.7
215.08527	1.4
216.09169	3.2
217.10107	1.4
218.10931	0.9
219.11649	1.7
221.13257	1.7
229.10269	0.9
231.11678	3.1
232.08923	0.6
232.11261	0.7
233.09636	1.4
233.13225	0.7
234.12909	0.5
245.09380	0.7
246.12859	2.1
247.11284	1.2
247.13533	0.9
249.12738	1.9
250.12352	0.7
257.12045	1.2
259.11145	2.1
260.14322	0.7
261.12720	0.6
262.15955	2.4
272.14282	5.6
274.12305	1.7
274.15613	0.8
275.13065	1.2
277.12271	0.9
278.15359	1.0
280.16949	0.8
288.13889	2.7
289.14499	1.4
290.15347	7.9
292.13361	0.9
306.15088	1.5
307.15317	0.6
308.16388	3.8
318.14764	3.2
332.16476	1.1
336.15945	3.4
348.16232	0.6
350.17511	1.8
354.17230	0.9
378.17053	1.6
396.18109	1.1
414.18811	0.8
434.52750	0.6
456.20425	1.0
458.19678	0.8
472.20746	0.8
500.20895	2.1
620.25269	3.8
682.26172	1.2
734.15839	0.6
742.28442	91.7
743.28705	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	742.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
60.63338	0.4
65.11425	0.4
69.88213	1.4
72.04494	0.7
75.99015	0.4
77.03915	5.9
79.05479	0.8
90.53567	0.4
91.05458	1.6
94.06559	1.1
95.04956	22.5
96.05331	0.5
96.08122	0.7
102.56203	0.4
105.03384	100.0
105.04404	7.4
105.07020	1.9
106.03719	1.7
108.08125	0.9
110.06004	0.8
112.07616	0.9
115.05441	0.8
117.06966	0.8
118.06547	0.5
119.04922	0.7
119.08630	0.7
120.08105	0.8
124.07610	1.6
128.06223	0.7
129.06999	1.4
131.08580	0.7
132.08086	0.8
133.06454	0.8
143.07356	0.6
143.08540	0.8
144.08090	1.8
145.06470	1.4
146.09674	0.6
148.07590	1.1
155.08592	1.5
157.08859	3.2
158.09650	0.6
159.08041	0.5
160.07553	3.6
162.09119	0.8
165.06947	1.1
167.08568	1.0
172.07588	0.7
173.08388	2.6
174.09097	3.1
175.07552	0.6
178.07729	0.7
179.08539	1.7
181.10144	0.7
185.08199	0.6
186.08994	0.5
191.08548	1.0
192.09410	1.6
193.10173	2.0
195.08113	0.7
195.11670	0.7
198.09055	0.7
202.07777	0.6
203.08585	1.5
204.09329	2.8
205.10138	2.8
206.10941	1.0
207.11691	1.9
209.13312	0.7
211.09792	0.6
212.10689	0.9
215.08531	1.0
216.09325	2.3
217.10112	1.3
218.10992	1.5
219.11630	3.1
220.11375	0.6
221.13350	1.0
223.11238	0.5
229.10118	1.2
231.11716	2.6
233.09619	0.8
233.13280	0.8
235.11253	0.9
237.12749	1.0
243.44919	0.6
246.10489	0.5
246.12852	1.7
247.11191	1.4
247.13495	0.7
248.10551	0.8
249.12790	1.5
257.12024	0.6
259.11151	1.4
260.14291	0.9
262.12448	0.5
262.15933	2.0
264.13852	1.1
265.12271	0.8
272.14346	1.8
274.12320	1.4
275.12885	1.2
276.13928	0.7
277.12094	0.8
278.15454	0.9
280.16968	1.2
288.13959	1.8
289.14517	1.2
290.15344	7.8
300.13812	1.1
306.15060	1.2
308.16382	3.0
318.14792	2.4
326.17355	0.5
336.15985	2.3
339.53577	0.5
350.17819	0.8
354.17050	0.7
360.15881	0.6
396.17880	0.7
456.20065	1.1
458.19565	0.6
472.21082	0.8
500.20746	1.9
518.21442	0.8
620.24792	4.1
621.25714	0.5
622.24078	0.8
682.26715	0.5
742.28461	97.6
743.28778	12.0
743.40540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.2847
Annotation	Delgrandine
Peak:m/z	Relative Intensity
53.03943	3.7
55.05531	1.1
67.05501	4.2
69.10249	5.6
74.06068	1.6
77.03933	3.5
79.05481	2.2
81.03407	1.2
81.07060	2.5
83.08625	1.1
91.05482	3.3
93.07051	2.4
95.04956	23.5
95.08600	1.5
97.64771	0.8
98.22639	1.8
105.03379	100.0
105.04407	7.4
105.07028	3.0
106.03722	1.2
107.08561	1.4
109.06516	1.1
110.06042	1.9
113.06104	1.0
117.07054	1.1
119.08555	1.6
121.06531	1.6
128.38051	0.8
129.06985	1.5
131.08531	1.4
132.08020	1.1
133.10114	1.4
134.09503	1.0
135.11652	1.0
137.09648	0.8
141.07092	0.9
143.08562	1.4
145.10110	0.9
146.09639	1.8
147.07956	1.0
151.11127	1.1
155.08572	2.5
157.08899	2.9
158.09604	5.9
161.08322	1.0
162.09154	1.4
166.07773	1.2
167.08562	0.8
174.09149	3.6
179.08582	2.1
181.10098	2.2
192.09351	2.6
193.10132	2.8
195.11858	1.0
196.93883	0.8
203.08511	1.6
204.09383	1.5
205.10110	1.4
206.11147	1.0
207.11685	5.2
215.08530	1.0
216.09476	1.5
218.10918	1.8
219.11725	3.1
221.13330	1.5
231.11752	2.2
233.13347	2.0
235.11206	1.1
243.11653	0.8
249.12936	1.7
253.06291	0.9
259.11133	1.9
261.12790	1.2
262.16000	3.2
272.14429	1.4
274.15918	1.1
290.15320	6.5
292.16956	1.7
308.16333	4.9
336.16006	5.8
350.17606	1.7
354.17212	1.8
368.18613	1.3
376.05414	0.9
378.17041	1.1
396.18085	1.8
456.20724	2.1
518.21594	2.4
545.34863	1.2
560.22760	3.9
620.24768	16.6
682.26349	30.3
683.26306	2.0
742.28412	40.3
743.28534	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	742.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01875	5.1
55.05507	14.4
57.03436	4.5
59.04978	0.7
61.02918	5.3
67.05150	1.1
67.05496	16.6
69.03431	3.4
69.07061	9.6
71.04984	2.2
71.44513	0.8
73.02915	1.5
77.03915	0.9
79.05486	17.9
81.03409	6.9
81.07047	32.7
83.04966	7.1
83.08612	9.3
85.02902	7.9
85.06532	1.3
89.09991	0.6
91.03957	3.5
91.05478	10.7
93.07030	14.4
95.04959	9.4
95.08592	9.2
97.02894	4.6
97.06532	6.0
97.10156	16.7
99.04447	1.9
99.08088	1.7
105.07027	9.2
107.04956	4.9
107.08576	11.6
109.02865	1.0
109.06503	4.6
109.10150	6.8
111.04430	6.9
111.08072	3.7
117.07014	6.0
118.76510	0.6
119.04942	0.7
119.08568	10.5
121.06475	4.4
121.10133	6.5
123.04413	1.0
123.08057	14.1
123.11688	1.1
125.05969	0.7
125.09615	15.6
127.03905	2.0
127.07571	0.6
128.06203	1.1
129.06987	4.2
131.08546	5.8
133.06477	1.0
133.10098	4.9
135.08046	5.6
135.11659	5.9
137.05933	1.4
137.09589	3.7
139.11208	1.0
143.08540	2.0
145.02834	1.8
145.04948	2.3
145.06519	0.7
145.10100	6.8
147.08037	5.0
147.11656	3.5
149.09619	3.5
151.11154	0.8
153.09073	2.2
153.12683	3.6
157.10063	3.4
159.08022	1.1
159.11673	2.4
161.09612	3.7
161.13274	1.3
163.05977	1.8
163.07338	1.0
163.11153	10.6
163.12421	0.9
165.09119	3.2
169.10159	1.1
171.10216	1.4
171.11723	1.8
173.09615	1.2
175.11201	2.8
177.05479	4.4
177.12724	1.5
181.12198	4.2
185.09715	0.6
185.13237	1.3
189.11197	11.0
189.12781	1.3
191.10611	2.7
193.12228	3.8
201.16429	0.7
205.12321	0.9
209.11668	1.0
217.15771	0.7
223.13315	1.3
227.12732	6.1
227.17842	1.1
233.15305	0.7
245.13802	1.0
245.19014	1.5
249.14859	1.5
255.17436	1.6
260.61560	0.6
267.15817	1.0
269.17480	0.8
273.18433	12.9
283.15295	1.6
291.19519	32.0
292.19922	1.8
294.12506	0.8
309.20526	5.9
310.12231	0.7
312.13596	1.1
325.14471	0.6
347.22202	3.7
365.23190	48.1
366.23694	4.1
383.24234	100.0
384.24643	5.3
473.25082	0.7
491.26358	2.4
509.27448	1.5
527.28070	2.2
545.29358	3.6
690.30011	0.6
742.39832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72837	0.8
52.17433	0.9
53.03934	2.7
55.01866	0.9
55.05503	16.4
57.03434	13.3
57.07071	1.1
61.02920	3.5
65.03931	1.7
67.05496	38.0
69.03419	4.0
69.07059	11.9
69.58296	2.5
71.04988	4.1
72.72494	0.9
77.03920	1.0
79.05481	35.5
81.03407	53.1
81.07047	44.4
83.04981	9.5
83.08608	21.1
84.08941	1.0
85.02898	18.6
85.06557	1.7
88.15037	0.8
91.03936	1.5
91.05468	27.2
92.05809	1.3
93.07030	36.5
94.07374	1.0
95.04952	26.0
95.08587	29.3
97.02892	3.1
97.06533	3.6
97.10168	4.7
100.42615	0.9
105.04507	2.0
105.07015	21.2
106.50649	0.9
107.04948	4.6
107.08577	19.3
108.08924	1.3
109.06524	3.8
109.10151	11.0
111.04446	1.5
111.08062	8.6
113.06026	1.4
117.07016	4.2
119.08567	19.1
121.06477	1.3
121.10132	16.0
123.08084	2.8
123.11696	3.5
125.09619	1.6
129.06978	7.3
131.08548	10.5
133.06535	1.9
133.10104	11.5
135.08116	1.5
135.11676	8.7
137.09647	1.7
137.13287	0.9
142.07780	1.5
145.10136	5.1
147.08034	1.5
147.11656	11.1
149.09631	5.0
149.13249	3.3
157.10094	11.8
159.11699	3.5
161.13220	2.3
163.11159	2.5
163.14783	1.3
164.11537	1.3
165.12747	2.0
173.13222	2.0
175.11166	10.5
175.14732	1.2
184.07364	2.9
193.12209	38.0
194.12621	1.0
211.13258	49.8
212.13754	1.9
227.12787	3.4
228.18762	0.9
243.21069	1.7
261.22058	6.0
267.15869	7.6
283.15472	1.6
285.16928	41.5
286.17172	1.1
298.55838	1.0
301.25214	1.2
335.25763	48.6
336.26114	4.1
337.26312	1.8
527.36987	7.0
545.38269	100.0
546.38635	6.7
628.50299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01867	2.4
55.05505	14.8
57.03434	10.4
57.07066	1.5
59.04985	0.7
61.02916	1.6
65.03943	1.6
66.49106	0.6
67.05494	38.8
69.03422	2.9
69.07057	10.4
69.13966	4.8
71.04980	2.2
71.90304	0.8
73.02894	0.8
78.08025	0.7
79.05479	28.8
81.03404	36.5
81.07043	36.8
82.07388	0.9
83.04967	7.9
83.08603	15.6
85.02887	12.7
85.06516	1.3
91.03922	1.4
91.05466	23.8
92.05794	1.0
93.07034	28.0
94.07326	0.9
95.04956	16.5
95.05517	1.2
95.08593	23.9
97.02876	2.4
97.06528	4.4
97.10161	2.6
98.10069	0.7
98.22681	1.4
99.04458	0.8
99.08075	2.1
105.04489	1.4
105.07012	14.6
107.04977	2.0
107.08572	14.2
107.09251	1.1
108.08973	0.7
109.06506	4.4
109.10144	9.5
111.04409	1.4
111.08073	6.0
113.05978	1.3
115.05444	1.3
117.07007	3.5
119.08568	14.9
121.10133	11.1
122.61353	0.7
123.08085	2.2
123.11707	3.1
128.06212	0.8
129.06995	6.2
131.08556	10.0
133.06544	1.9
133.10110	8.5
135.11662	6.6
137.09605	1.1
137.13232	0.9
142.07797	2.0
145.10100	4.4
147.08029	1.8
147.11646	9.4
149.09590	4.0
149.13237	2.4
151.11183	0.9
157.10091	6.0
159.11703	2.6
161.13251	1.3
163.11180	1.8
163.14841	1.1
164.11481	0.7
165.12766	1.3
173.13203	2.6
175.11163	7.7
187.14807	0.9
192.39166	0.8
193.12206	25.3
194.12534	1.1
211.13252	33.0
212.13734	0.9
227.12834	2.1
228.13251	0.9
243.21179	2.0
261.22104	6.8
267.15845	7.4
280.90594	0.8
283.15451	1.8
284.15744	1.2
285.16931	38.9
286.17224	1.6
317.24658	2.0
335.25757	62.3
336.26077	4.9
337.26730	1.1
435.32724	1.1
453.33414	0.9
527.37097	6.0
544.37042	1.2
545.38269	100.0
546.38611	9.6
742.43707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57213	1.6
53.03940	6.6
55.01862	4.4
55.05248	3.3
55.05502	33.1
56.28230	1.6
57.03431	25.1
57.07067	2.8
59.04975	1.7
59.61673	1.4
61.02916	7.7
65.03936	4.6
67.05495	71.4
69.03425	6.5
69.07060	19.4
69.83514	3.3
71.04978	7.1
79.05482	63.0
81.03405	69.2
81.07047	83.9
83.04968	23.0
83.08607	29.2
85.02896	38.6
85.06569	3.4
91.03931	2.5
91.05464	52.5
93.07033	57.0
95.04959	37.2
95.08594	50.7
95.09205	2.4
97.02882	7.8
97.06525	5.2
97.10138	8.2
99.08096	1.7
105.04524	2.5
105.07013	37.1
107.04951	5.3
107.08575	29.8
109.06501	7.9
109.10136	17.8
111.04466	2.0
111.08077	12.7
113.02347	2.6
115.05414	2.8
115.06168	2.3
117.07005	8.0
119.08572	34.1
121.06487	3.4
121.10121	31.5
123.08080	4.8
123.11680	6.8
125.09624	3.2
129.06984	11.5
131.08553	20.2
131.17868	1.6
133.06459	4.2
133.10126	19.7
135.08102	2.3
135.11668	13.6
137.09589	2.8
137.12039	1.6
137.13164	2.1
142.07816	3.0
143.08516	1.6
145.10101	8.0
147.08023	4.0
147.11679	22.5
149.09613	6.6
149.13254	7.0
157.10118	20.4
159.11668	5.5
161.13226	3.0
165.12750	3.5
169.10060	1.7
173.13242	5.3
175.11168	15.3
175.14777	2.3
179.10565	1.8
187.14760	2.7
189.11166	2.1
193.12210	54.7
211.13255	90.0
215.17961	2.1
227.01031	1.9
243.21095	3.7
261.22159	12.0
267.15826	18.4
285.16922	89.4
286.17068	2.7
291.19437	1.6
307.22647	5.4
313.16403	5.4
317.24637	2.4
335.25754	83.5
336.26169	5.2
471.34451	1.9
527.37378	13.1
545.38336	100.0
546.38837	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01863	3.7
55.05503	26.0
55.32607	0.8
57.03431	18.7
57.07064	2.2
59.04985	0.8
61.02918	5.2
65.03933	3.6
67.05492	67.4
68.05811	1.0
69.03421	4.8
69.07057	20.6
71.04976	6.2
72.28583	0.7
73.02904	1.9
77.03911	2.3
78.33907	0.9
79.05479	52.4
80.05825	1.0
81.03402	51.6
81.07044	72.3
83.04968	13.4
83.08611	23.4
85.02890	23.8
85.06530	2.6
91.03928	2.1
91.05463	46.4
92.05787	0.9
93.07028	53.6
95.04952	29.4
95.08589	41.5
97.02872	5.7
97.06509	5.4
97.10147	6.2
99.08080	1.5
102.14961	0.7
103.05470	2.0
105.04494	2.2
105.07013	32.7
105.07725	1.8
107.04940	7.6
107.07953	0.9
107.08572	24.5
109.02854	1.2
109.06491	7.5
109.10125	15.9
111.04419	2.9
111.08052	10.6
113.05964	2.1
115.05419	2.1
117.06995	7.7
119.08560	26.5
121.06498	2.6
121.10123	23.5
122.10491	1.0
123.08024	3.9
123.11690	5.8
125.09615	2.9
128.06276	1.4
129.06992	10.0
131.07631	1.6
131.08549	17.9
133.06465	2.6
133.10109	18.0
135.08026	2.7
135.11676	9.7
137.09596	3.4
137.13277	1.1
141.06966	1.0
142.07730	2.8
143.08511	2.7
145.10091	8.9
146.73985	0.9
147.08057	2.8
147.11659	15.5
149.09573	6.4
149.13232	4.4
151.11124	1.1
155.08574	2.6
157.10110	12.8
159.11655	4.2
161.09579	1.5
161.13242	4.4
163.07579	0.9
163.11143	2.2
163.14732	1.9
165.12747	2.6
169.10072	1.4
171.11655	1.8
173.13234	3.5
175.11159	11.6
175.14754	1.0
177.16341	0.9
183.11739	1.1
184.07329	0.9
185.13245	1.3
187.14795	2.4
189.11182	2.2
190.72636	0.8
193.12209	41.4
194.12540	0.9
199.14775	0.9
201.16348	1.1
211.13245	50.6
212.13614	1.4
215.17909	1.1
227.12724	1.4
243.21071	3.0
255.17378	1.0
259.20566	1.2
261.22058	12.1
267.15823	16.0
271.16898	1.2
273.18683	4.1
273.21643	1.0
285.16916	59.5
286.17386	2.0
289.17880	1.8
291.19598	4.5
301.24969	1.1
317.24747	3.1
335.25748	97.1
336.26059	4.1
363.21918	1.0
381.22626	9.4
383.19656	2.1
396.20831	0.8
401.20789	3.7
435.32587	2.4
453.33182	1.5
471.35193	1.0
527.37238	11.9
545.38269	100.0
546.38446	7.0
563.39832	1.8
581.41949	6.9
689.05396	0.9
689.37927	2.6
707.38513	1.6
743.45892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05499	24.7
57.03416	14.1
57.07073	6.4
61.02901	5.7
61.69490	3.1
67.05502	46.6
69.07055	19.4
71.04980	7.4
71.32187	2.9
71.43909	3.7
79.05480	25.1
81.03408	11.3
81.07050	58.5
83.01320	3.9
83.04965	9.1
83.08624	19.2
85.02882	9.0
91.05470	22.7
93.07037	27.4
95.04963	7.6
95.08598	36.9
97.02923	4.0
97.06493	3.7
97.10146	7.6
105.07010	10.4
107.04936	6.1
107.08559	12.7
107.41946	3.4
109.06532	7.2
109.10164	18.7
111.08104	5.2
119.08556	15.4
121.06509	4.9
121.10159	16.5
123.08050	7.8
123.11735	4.6
129.07022	3.8
130.26968	3.7
131.08537	4.4
133.10136	3.9
135.11659	12.7
145.10100	12.1
147.11646	5.5
163.11165	15.5
163.49202	3.8
173.09627	4.6
181.12206	4.7
184.07364	5.2
209.11684	4.7
227.12642	5.7
251.19965	4.2
263.23749	7.8
283.15338	100.0
284.15686	4.8
335.25613	7.5
337.23279	6.5
337.27295	94.6
527.36786	4.2
545.38257	94.4
546.38458	5.1
610.13110	3.9
742.43140	8.4
743.42596	4.8
753.45148	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.2
55.05503	11.1
57.03430	9.1
58.54394	2.6
60.44062	2.9
67.05499	25.7
69.07063	10.9
69.61791	5.8
69.62180	4.6
71.04986	4.6
79.05495	15.3
81.03426	8.3
81.07048	31.6
83.01337	4.7
83.04974	3.8
83.08623	9.5
85.02884	4.9
91.05475	10.5
91.20220	2.7
93.07040	15.2
93.18868	2.8
95.04964	7.3
95.08588	20.8
97.02891	3.2
97.06514	5.1
98.22735	5.8
105.07047	8.9
107.04935	6.3
107.08567	11.7
109.06501	3.9
109.10136	6.8
117.06994	3.0
119.08592	8.1
121.10155	7.3
125.09592	2.5
125.62294	2.6
131.08624	3.6
133.10176	3.7
135.11674	9.3
145.10072	7.7
163.11224	12.3
183.06332	2.7
184.07263	3.6
191.10677	2.9
209.11771	4.8
227.12823	4.9
263.23688	4.2
283.15375	100.0
284.15579	4.5
335.25977	4.0
337.27277	58.6
456.47101	3.0
482.46570	3.4
545.38336	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07068	0.2
60.04491	0.7
69.20511	0.7
69.20925	0.5
69.92335	0.2
72.30427	0.2
85.16364	0.2
136.54813	0.2
139.23039	0.2
165.06958	0.2
167.07040	0.2
190.07726	0.3
191.08586	1.1
194.07355	0.3
195.08112	0.2
205.06505	0.2
207.08005	0.9
208.08827	0.8
209.09474	1.0
211.07533	0.2
217.06459	0.3
219.08102	1.2
220.08829	2.0
221.09586	0.7
222.06667	0.6
223.07565	0.3
223.11092	1.6
224.08249	0.9
225.09007	0.5
226.09760	0.4
228.80542	0.2
233.06067	0.3
233.09563	1.2
234.06624	0.4
234.10434	0.3
235.07503	2.2
236.08296	5.0
237.09056	3.9
237.11406	0.3
238.09779	1.9
239.07025	0.9
239.10606	2.5
241.08464	0.2
241.12225	0.6
247.07506	0.7
248.08368	0.5
249.09129	1.2
250.09842	0.7
251.06898	0.7
251.10641	9.3
252.07764	1.1
252.10497	0.2
253.08507	0.6
254.09335	6.8
255.09979	0.8
261.09109	0.4
262.09872	0.4
263.07062	0.7
263.10553	1.3
264.07721	1.1
264.10812	0.2
265.08572	5.3
265.10977	0.3
266.09293	3.1
266.11853	0.4
267.10135	5.7
268.10721	0.5
269.11676	18.2
270.11972	0.6
277.08585	1.3
278.09335	0.6
279.10101	23.7
280.07507	0.3
280.10510	1.5
280.13220	0.4
281.08063	1.2
281.11661	3.9
281.14224	0.2
282.08826	1.3
282.12421	1.0
283.09631	0.9
292.10712	0.2
293.07907	0.2
293.11548	0.7
294.12448	63.9
295.09644	22.6
295.12805	3.0
296.10226	2.5
297.11169	24.3
298.11557	1.7
308.12973	1.8
310.11929	34.4
311.09528	0.4
311.12689	14.7
312.13492	54.9
313.14035	4.1
323.15283	1.9
324.12277	0.6
325.14285	42.9
326.11322	1.0
326.14709	1.8
329.13840	0.3
338.13571	0.2
339.14520	0.5
341.13812	3.9
354.16946	3.9
355.17691	6.2
356.17996	0.3
372.17996	100.0
373.18356	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	743.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87445	0.5
60.04483	0.6
69.83077	1.8
98.22743	0.9
143.66647	0.6
176.44167	0.5
191.08533	0.7
205.10176	0.5
207.08022	1.3
208.08852	0.8
209.09637	1.4
219.08098	1.0
220.08759	1.9
221.09625	0.7
223.07318	0.7
223.11128	1.5
225.09166	0.9
233.09467	0.7
235.07503	2.1
236.08275	5.9
237.09047	4.3
238.09836	1.7
239.07043	0.5
239.10670	2.5
247.07431	0.7
249.09082	1.1
250.09808	1.2
251.10625	9.2
251.13045	0.7
252.07666	0.7
254.09319	6.3
255.10153	0.7
263.10599	1.9
264.07690	1.4
265.08582	4.7
266.09259	3.3
267.10098	6.1
268.11044	0.9
269.08765	1.1
269.11691	17.7
270.12097	0.6
277.08582	0.8
278.09286	1.0
279.10110	23.8
280.07178	0.7
280.10324	1.2
281.08173	1.4
281.11707	5.0
282.08945	1.2
282.12317	1.2
283.09598	0.7
293.11343	0.7
294.12457	78.6
295.06992	0.4
295.09644	25.6
295.12784	3.9
296.10220	3.1
297.11197	26.6
298.11823	2.0
308.12769	2.2
310.11920	41.4
311.09256	0.7
311.12662	16.6
312.13501	63.5
313.13974	5.2
323.15234	3.2
325.14291	49.4
326.11530	1.3
326.14822	1.1
339.14471	0.7
341.13806	4.4
354.16910	4.6
355.17770	6.4
372.18008	100.0
373.18347	4.5
571.26563	0.5
666.84619	0.6
772.14838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05499	2.1
57.03424	1.7
61.02917	3.9
67.05489	5.9
69.03432	3.4
69.07066	1.2
70.61548	0.9
71.04993	0.9
73.02914	4.5
75.35105	0.7
76.46132	0.8
79.05483	5.6
81.03413	1.8
81.07057	6.6
83.08569	0.8
85.02898	4.3
91.03949	4.0
91.05475	3.7
93.07021	4.8
95.04972	1.6
95.08579	4.7
97.02875	4.7
97.10159	0.9
99.04453	0.9
101.02380	1.8
105.07031	2.5
107.08617	1.7
109.02966	1.0
109.10152	1.7
119.08566	1.9
121.10162	1.6
127.03922	1.6
127.78149	0.8
129.07048	0.7
131.08582	0.8
133.10100	1.2
135.11661	0.9
145.10112	1.1
147.11726	1.7
222.81178	0.8
226.94044	0.7
243.08446	2.0
247.13127	1.9
268.68579	0.8
283.15442	0.9
417.29993	1.0
465.20877	4.4
519.29297	9.7
675.77020	0.9
743.43280	100.0
744.43842	9.0
747.25061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01867	1.2
55.05502	3.1
57.03423	7.5
57.41966	0.9
59.10369	0.9
60.04511	2.1
67.88961	0.9
69.03416	3.0
69.47803	3.6
71.04983	43.9
73.02906	1.4
75.04470	3.1
79.05062	1.2
79.05476	5.4
81.03403	12.7
83.04967	13.6
85.02892	62.4
87.04472	1.1
91.05470	2.1
95.04950	3.7
97.02869	3.4
99.04420	6.0
103.05453	1.9
105.07017	2.5
107.04936	11.8
111.04442	2.9
115.05457	5.3
117.07001	16.1
121.06506	1.7
123.04415	3.3
124.05230	2.8
125.06022	1.1
127.03886	3.2
129.05455	23.2
129.07005	2.6
131.08533	4.8
133.02826	1.1
144.05713	3.2
145.02834	1.4
145.06467	35.6
145.07568	2.3
146.08109	14.7
147.04431	1.1
147.06503	10.7
147.08092	1.8
149.05840	1.4
152.04630	1.3
155.06000	5.7
156.05688	6.1
157.06401	1.5
159.08025	5.7
161.05954	3.7
164.09160	20.0
167.07013	54.2
169.06476	1.2
173.05957	73.5
174.06464	1.8
175.07541	3.7
177.05444	4.6
180.08603	1.4
181.04947	4.7
183.06465	1.2
184.05206	1.2
187.07538	10.4
189.05600	1.2
190.06216	40.9
191.06836	2.0
193.08540	1.9
198.62787	1.3
202.06256	3.8
203.07025	8.1
205.08568	100.0
206.04425	1.6
206.09027	1.6
207.06442	2.5
207.10039	1.2
215.07010	2.0
217.08559	50.8
219.10121	3.7
223.09708	4.1
229.08411	1.2
231.08018	1.7
231.10095	2.2
235.09599	30.7
247.09642	8.1
263.10742	2.0
264.07758	1.3
265.10672	48.2
266.10934	1.0
269.07993	1.8
271.09702	2.5
276.07516	1.3
279.10226	1.9
282.08759	1.3
285.08136	1.1
287.05441	3.8
291.10162	1.4
299.09052	1.4
315.08563	4.3
323.12622	3.1
330.10886	8.2
331.11697	2.6
336.09818	1.4
337.10538	1.6
339.12302	1.8
343.11917	1.8
351.12363	3.0
368.12549	2.0
369.12997	1.2
371.14862	2.9
383.14761	12.0
385.16046	1.3
401.15857	15.2
402.15857	1.0
417.15280	3.8
445.14828	1.3
511.19455	1.2
665.14532	1.3
708.88416	1.4
728.87231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01864	8.4
55.05501	12.4
57.03429	9.6
61.02899	2.7
65.03913	2.0
67.05493	26.5
69.03411	3.3
69.07059	10.0
69.89291	1.9
69.99368	0.7
71.04980	1.5
73.02899	1.0
77.03918	0.8
79.05479	44.7
81.03393	5.9
81.07043	47.1
83.01299	4.0
83.04977	4.7
83.08615	7.7
85.02895	5.3
85.06507	1.4
91.03931	1.9
91.05464	55.2
93.07027	29.1
95.04958	10.1
95.08589	15.5
96.93967	0.8
97.02872	3.0
97.06520	5.8
97.10171	1.2
98.23386	1.0
99.04427	1.2
99.08062	1.8
105.03345	1.8
105.04501	1.8
105.07018	15.6
107.04932	10.0
107.08576	27.8
109.06503	14.8
109.10143	6.0
111.04416	0.9
111.08037	3.8
113.05962	0.9
115.05450	5.2
117.07000	39.4
119.08559	16.8
121.06507	4.4
121.10126	8.3
123.08031	6.5
123.11678	3.4
125.05981	1.0
125.09599	2.3
127.03865	0.9
129.05409	1.1
129.07005	2.7
131.08517	6.1
133.06517	1.5
133.10092	9.5
135.08029	49.6
135.11627	4.6
136.08429	0.9
137.09589	3.3
143.08530	1.9
145.06477	2.7
145.10117	7.8
147.07951	2.0
147.11655	11.9
149.09618	4.2
149.13275	4.5
151.07495	1.1
151.11182	1.4
153.09082	2.7
155.08476	1.3
157.10118	2.6
159.08000	0.9
159.11623	4.2
161.09589	1.6
161.13222	2.2
163.07498	8.2
163.11128	6.1
163.14789	1.7
165.12706	2.3
169.10110	1.4
171.11600	1.1
173.09581	1.0
173.13251	2.4
175.11203	2.9
175.14719	0.8
177.12741	1.5
181.08586	2.8
183.11572	0.9
185.13255	0.9
187.11168	1.1
187.14761	1.2
191.14223	0.9
193.12161	1.3
197.13271	1.2
199.09621	6.7
215.14313	1.1
229.19507	2.0
239.18086	0.9
247.16895	1.0
247.20549	1.5
255.12230	100.0
256.12540	2.6
257.19019	2.9
267.15668	1.4
275.20016	34.3
276.20233	1.3
283.15442	2.3
293.21033	8.2
317.51764	0.8
321.20416	1.8
323.95367	0.9
349.19360	1.6
349.23636	24.8
350.24008	1.7
351.80075	0.8
367.24692	22.5
368.25140	1.1
429.09082	0.8
436.56363	0.9
460.26532	1.1
511.30542	5.4
529.31482	46.2
530.32117	3.8
547.32556	41.1
548.32568	2.8
744.34436	3.5
745.34106	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	744.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.01863	14.9
55.05505	26.4
57.03429	13.2
61.02918	4.2
65.03934	3.1
67.05497	43.8
69.03425	6.5
69.07056	22.7
71.01359	2.0
71.04981	6.2
79.05480	63.9
81.03403	16.7
81.07043	100.0
83.01328	7.9
83.04971	15.0
83.08607	24.7
85.02892	8.4
91.03966	2.2
91.05464	48.1
93.07026	59.5
95.04964	25.1
95.08588	37.6
97.02872	11.7
97.06528	10.7
97.10144	4.6
99.04443	5.9
99.08068	2.7
103.05453	3.8
105.04530	2.7
105.07012	29.5
107.04939	23.4
107.08578	30.0
109.06494	50.9
109.07204	2.9
109.10124	14.1
111.04439	4.5
111.08070	7.6
111.47298	1.9
115.05451	3.3
117.06986	23.3
118.66664	1.7
119.08567	38.2
121.06496	9.7
121.10135	20.6
123.04444	2.5
123.08056	14.2
125.09599	4.4
129.07004	5.1
130.07722	2.8
131.08565	18.6
133.06505	4.3
133.10101	12.9
135.08035	21.4
135.11682	16.3
137.09578	19.9
139.07463	1.7
139.11157	2.4
143.08539	4.3
145.06450	3.0
145.10117	24.3
147.07976	4.0
147.11682	4.1
149.09579	21.7
149.13239	1.8
151.07494	2.7
151.11142	3.9
153.09100	3.2
153.12718	3.3
155.08586	3.0
157.09946	1.9
159.11687	5.5
161.09575	3.0
163.07530	6.7
163.09920	3.1
163.11159	35.3
165.09113	6.1
165.12604	2.3
173.09590	4.8
175.11102	2.2
177.09102	5.2
179.10672	3.0
181.12224	5.4
183.10031	2.0
185.11661	2.3
187.11205	2.3
191.10599	2.8
199.09648	4.4
201.16476	4.9
209.11696	6.5
219.17465	3.6
227.12755	7.9
229.15822	3.8
231.17355	3.0
239.12727	6.0
247.16895	30.3
255.12201	9.0
265.14108	1.8
265.17941	14.5
275.19986	5.7
283.15353	93.9
284.15717	2.6
291.19510	8.0
293.21243	1.6
321.20551	39.6
323.45599	1.9
332.13062	2.1
339.21622	39.7
340.21667	1.8
349.23441	2.3
365.23145	3.6
393.22351	3.0
437.26859	2.6
449.26126	1.9
492.22534	1.9
511.30402	6.6
529.31525	93.0
530.31720	5.0
547.32556	97.1
548.32770	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	744.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
53.48174	1.3
55.01640	1.6
55.01866	15.1
55.05250	2.5
55.05503	33.4
57.03428	15.9
57.07074	2.3
61.02910	2.7
61.46070	1.4
65.03925	2.1
67.05496	33.6
69.03418	5.7
69.07056	21.4
70.33958	3.0
71.04981	3.9
73.02900	1.9
78.16194	1.2
79.05482	55.1
81.03405	11.2
81.07046	37.3
83.01306	7.0
83.04968	12.2
83.08606	32.0
85.02894	7.4
91.05466	76.0
92.05781	1.9
93.07030	54.1
95.04954	51.1
95.08582	23.8
95.13486	1.5
97.02887	4.4
97.06506	9.7
97.10162	7.5
99.04429	4.9
105.03376	3.3
105.04481	1.9
105.07010	21.0
107.04957	15.9
107.08575	48.5
109.06503	12.8
109.10138	10.9
111.04436	7.5
111.08079	9.0
115.05464	7.3
116.06220	1.5
117.07001	52.7
119.08564	24.2
121.06476	6.6
121.10117	16.1
123.08064	6.6
123.11697	2.2
125.09640	10.0
127.03909	1.4
128.06140	1.6
129.06981	5.3
131.08557	14.9
133.06468	2.5
133.10110	11.4
134.17114	1.3
135.08032	56.6
135.11659	13.6
136.08315	1.5
137.09595	5.9
139.11139	3.3
141.07007	1.8
143.08548	2.5
145.06453	2.0
145.10109	23.7
145.61070	1.4
147.08011	5.2
147.11667	6.9
147.51265	1.3
149.02325	1.6
149.09596	27.9
151.11185	1.4
153.09093	3.9
153.12691	1.4
155.08565	2.4
157.10066	3.5
159.11688	7.0
161.09630	3.0
161.13234	3.2
163.07521	8.4
163.11159	34.7
164.11346	1.4
165.12766	2.3
167.10712	2.6
169.10143	3.1
173.09583	1.4
173.13234	3.5
175.11201	1.7
177.09126	1.8
177.12730	3.0
179.10600	2.0
181.08574	4.2
181.12273	3.0
183.11734	1.7
187.11116	2.1
189.11200	4.7
193.12119	1.6
199.09628	2.0
201.16333	4.8
205.12209	2.7
209.11792	2.0
219.17360	9.8
223.13242	25.0
227.12685	9.3
229.15836	4.2
229.19507	2.8
239.17816	3.2
247.16843	10.5
255.12244	100.0
256.12582	3.2
257.18939	5.6
265.17896	5.0
275.20035	35.0
283.15366	29.6
293.21075	27.0
321.20490	10.2
339.21652	11.0
349.23663	15.2
367.24747	29.6
443.35016	2.2
449.25134	2.5
511.30460	1.8
529.31482	33.4
530.31970	2.2
547.32562	89.4
548.32599	6.3
565.33643	2.2
593.57251	1.6
744.28668	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01863	12.5
55.05503	33.0
55.79220	2.5
57.03429	12.7
57.07064	2.8
65.03944	3.2
65.75941	2.3
67.05495	56.0
69.03419	6.0
69.07064	26.6
69.48083	6.0
69.48469	4.2
70.32446	2.4
71.04963	3.4
77.03921	3.5
79.05484	73.8
81.03404	18.4
81.07043	100.0
83.04966	17.0
83.08607	18.0
85.02887	2.8
85.06543	3.7
91.05464	40.7
93.07028	54.5
95.04962	27.9
95.08578	30.6
97.02882	5.0
97.06508	10.6
97.10146	24.2
99.08076	3.6
104.07047	2.3
105.07018	33.2
107.04931	24.0
107.08580	27.6
109.06499	14.4
109.10151	19.5
111.04436	7.7
111.08056	6.0
115.05455	4.0
116.92807	2.3
117.06992	26.9
117.67111	2.6
119.08569	39.2
121.06440	12.0
121.10132	22.7
123.08040	25.4
125.09615	14.4
128.06175	4.6
129.06995	9.1
131.08577	22.1
133.06471	5.3
133.10120	17.1
135.08028	11.3
135.11678	17.0
137.09596	7.5
139.11099	3.1
143.08521	8.3
145.06493	3.0
145.10095	27.3
147.08072	12.0
147.11670	10.0
149.09627	13.4
149.13206	4.7
153.09123	5.4
153.12700	5.2
155.08508	3.7
157.10088	8.8
159.07999	5.5
159.11636	8.3
159.79427	2.1
161.09576	10.6
161.13216	2.3
163.11165	29.1
165.09036	5.0
171.11646	7.8
173.09610	4.3
173.13194	4.9
175.11143	6.3
181.12250	5.4
184.07281	2.4
185.09453	2.8
185.13222	4.1
189.11221	13.2
191.10622	6.5
193.12241	3.2
197.07211	3.1
209.11626	3.4
215.17953	4.6
223.13208	3.3
227.12744	16.3
227.17990	4.8
237.16344	2.7
241.14319	4.6
245.19041	7.8
255.17453	5.0
265.14279	4.5
273.18430	50.5
277.06485	2.8
283.15314	5.5
291.19501	82.0
307.22604	17.2
309.16113	8.6
309.20569	6.6
315.18045	6.2
347.22131	13.9
365.23157	30.1
383.19662	19.0
383.24207	13.5
401.20758	25.4
515.33624	10.6
526.05548	3.0
529.34808	5.3
547.36151	16.8
571.67126	3.0
637.40491	5.1
655.40369	4.0
673.38782	13.7
691.39191	9.4
709.40381	5.4
745.40338	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	744.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
54.21201	1.4
55.01860	6.9
55.05500	36.5
55.05776	2.3
57.03428	19.3
57.07063	2.5
61.02901	2.1
61.90392	1.5
65.03918	3.9
67.05491	67.7
68.45533	1.5
69.03430	2.5
69.07052	21.9
69.72948	3.6
69.73313	3.1
70.43114	1.8
71.01329	2.8
71.04971	6.0
79.05479	55.9
80.05820	1.7
81.03401	10.9
81.07043	51.4
83.04972	13.1
83.08604	27.9
85.02888	4.1
85.06517	5.9
91.05459	48.8
92.05835	2.0
93.07026	63.9
95.04955	21.9
95.08595	25.9
97.02858	2.0
97.06524	15.7
97.10149	12.0
99.08076	2.1
103.05389	1.9
105.07014	31.9
107.04929	15.8
107.08576	42.0
109.06489	8.5
109.10130	20.2
111.08073	8.1
113.09612	1.6
117.06999	14.1
119.08556	29.4
121.06501	6.3
121.10118	20.6
122.02767	1.6
123.08043	6.0
123.11708	2.8
125.09613	4.5
129.06979	4.5
131.08551	13.7
133.06445	3.7
133.10107	30.9
135.08028	6.7
135.11671	45.9
137.09584	8.1
139.11182	2.8
141.06924	2.0
143.08534	5.5
145.10106	25.1
147.08038	3.7
147.11652	11.5
149.07567	1.6
149.09587	19.0
149.13339	2.1
151.11145	8.2
155.08516	2.3
157.10089	3.3
159.11641	8.4
161.09630	3.4
161.13246	5.8
163.11166	24.6
165.12753	5.2
167.10634	2.0
169.10088	5.6
171.11646	4.9
173.13235	4.5
175.11166	4.5
175.14799	2.7
177.12746	3.9
181.12222	11.8
183.11653	2.4
184.07213	2.5
185.11719	2.0
187.11172	2.1
191.10669	2.4
197.13303	2.1
199.13242	2.1
201.12788	1.9
213.20366	1.7
215.14320	2.0
223.13164	3.0
227.12599	1.8
229.19481	2.5
239.17924	6.6
241.19768	1.8
246.89722	1.8
247.20506	2.6
253.14302	6.8
255.15851	100.0
256.16260	2.5
257.19058	7.4
259.20624	2.9
271.15317	4.0
274.79617	1.7
275.20004	64.3
276.20343	2.8
277.71118	1.6
293.21051	8.3
298.31818	1.9
307.22708	3.1
333.23822	2.8
349.23651	34.2
365.23087	4.1
367.24643	11.6
511.34286	3.4
529.35181	72.6
530.35358	4.6
547.36200	66.4
548.36432	4.4
640.31604	1.9
745.35876	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	744.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01867	8.4
55.05254	2.3
55.05508	37.7
57.03437	14.2
61.02908	2.2
65.03922	2.3
67.05499	59.9
67.05861	3.8
69.03429	3.3
69.07056	25.2
70.41412	4.1
71.04980	5.8
79.05483	58.6
81.03394	11.0
81.07047	41.1
83.04973	19.5
83.08609	26.8
85.02898	7.0
85.06538	4.0
86.09696	11.3
88.71110	1.7
91.05465	39.2
93.07037	62.4
95.04958	64.0
95.08602	24.6
97.06516	14.7
97.10152	18.6
99.04446	3.1
99.08059	3.1
105.04502	2.9
105.07024	24.9
107.04951	14.5
107.08581	49.1
109.06512	8.3
109.10153	12.6
111.04427	7.7
111.08068	5.6
117.07015	16.3
119.08584	25.0
120.08868	2.7
121.06477	8.0
121.10133	19.0
123.08058	5.9
125.09615	13.6
129.06985	3.7
131.08556	12.6
133.10120	17.5
135.08029	9.3
135.11673	50.5
137.09612	2.9
139.07761	1.8
143.08577	4.6
145.06470	3.2
145.10091	25.6
147.08043	5.2
147.11688	9.8
147.14864	1.9
149.09605	20.7
149.13274	1.7
153.12689	3.3
155.08549	2.1
157.10086	4.2
159.11665	6.1
161.09682	4.3
161.13249	5.3
163.11168	27.1
165.12750	4.3
169.10114	4.3
171.11642	3.4
173.09608	1.9
173.11745	1.7
173.13297	3.1
175.11243	2.4
177.12704	3.0
181.12213	11.1
183.11665	3.1
187.11154	2.9
189.11183	7.6
192.42091	1.7
197.13269	1.9
205.12234	6.0
223.13242	33.6
227.12773	3.7
229.19482	4.1
239.18129	3.1
255.15884	98.9
256.16400	4.0
257.18985	7.2
275.20041	48.7
276.20419	2.3
283.15372	3.2
293.21088	35.9
294.21210	4.4
301.16351	1.6
349.23703	22.6
354.10187	2.2
367.24774	30.5
368.24905	3.4
466.30237	3.2
529.35284	42.1
530.35406	3.2
547.36292	100.0
548.36688	10.5
693.20911	2.0
745.37366	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01855	8.4
55.05505	25.5
57.03432	15.1
57.07063	2.4
61.02917	4.2
65.03934	5.0
67.05496	66.2
67.05860	3.1
68.05844	2.2
69.03416	2.7
69.07056	28.9
71.01333	2.4
71.04984	6.2
79.05483	65.8
81.03426	10.7
81.07047	88.8
82.07393	2.4
83.04981	12.4
83.08610	17.4
85.02895	2.5
85.06525	4.9
91.03987	1.9
91.05469	46.0
93.07034	63.8
95.01329	1.8
95.04968	16.7
95.08592	30.7
97.02870	1.9
97.06532	16.7
97.10165	10.7
98.23524	2.4
99.08101	3.0
105.04501	1.8
105.07018	32.7
105.91818	1.7
107.04934	11.0
107.08584	39.3
109.06509	27.3
109.10136	14.9
111.08086	5.4
112.85327	1.5
113.09665	1.8
115.05441	3.4
117.07005	12.7
119.08568	28.9
121.06482	5.1
121.10110	19.0
123.08077	8.9
123.11687	6.3
125.09653	3.5
129.06996	4.8
131.08542	13.4
133.10104	19.4
135.08073	7.8
135.11676	50.8
137.09599	6.1
143.08556	4.1
144.57011	1.5
145.10107	19.8
147.08035	2.6
147.11668	14.8
149.09595	8.6
149.13243	6.3
151.11192	3.7
157.10135	4.1
159.11673	8.9
161.13213	3.4
163.11151	14.1
165.12717	4.5
171.11687	2.3
173.09602	1.6
177.12747	2.7
181.12236	10.2
185.62865	1.5
187.11211	2.2
193.12231	3.9
199.13148	2.8
207.13675	1.9
208.46021	1.7
227.12711	2.7
229.25015	1.7
247.20587	3.6
255.15871	90.4
256.16061	2.9
257.19083	4.7
267.16003	2.3
273.18402	3.1
275.20038	55.3
276.20413	2.6
291.19601	7.8
293.21057	11.0
349.23691	26.5
350.24115	2.0
365.23138	4.6
367.24765	16.3
403.28308	4.1
511.33847	2.8
529.35193	100.0
530.35461	6.9
547.36267	73.4
548.36285	4.5
745.36407	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	744.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01872	8.0
55.05505	29.3
55.60015	1.6
57.03429	21.1
57.07066	4.0
59.04998	3.3
61.02920	7.2
62.06078	1.6
62.31990	1.5
65.03932	4.5
67.05495	78.7
69.03423	4.0
69.07054	19.2
71.01349	4.6
71.04983	8.6
73.02896	2.5
76.06457	1.4
79.05481	98.6
80.05817	1.4
81.03405	32.6
81.07046	71.0
82.07401	1.5
83.01343	2.2
83.04973	14.6
83.08614	13.7
85.02888	11.5
85.06541	4.9
91.03945	2.7
91.05471	47.2
93.07032	94.5
95.04961	23.7
95.08593	50.7
95.68067	1.3
97.02886	14.0
97.06516	14.7
97.10160	4.8
99.04433	3.2
99.08089	4.0
105.04521	3.9
105.07014	30.2
107.04945	21.0
107.08575	32.9
107.09251	3.0
109.06513	11.6
109.10136	20.4
111.04429	25.0
111.08070	5.0
111.11670	1.9
115.05528	1.9
117.07004	19.7
119.08561	27.4
121.06494	7.7
121.10124	48.0
121.10968	2.9
123.08067	13.9
123.11713	4.6
125.05990	6.6
125.09635	6.2
127.07545	1.9
129.07016	3.6
130.07809	2.3
131.04947	2.8
131.08546	24.8
133.10104	16.9
134.66475	1.6
135.08049	5.5
135.11670	31.1
137.09595	4.6
139.07524	2.6
139.11166	1.6
143.08585	4.1
145.06378	2.4
145.10114	33.0
147.08032	4.9
147.11694	9.0
149.09607	6.9
149.13217	7.6
151.11163	2.9
153.12750	10.5
155.08577	4.2
157.10149	2.1
159.11716	10.1
163.11162	36.3
171.11674	3.0
173.09637	7.9
173.13248	6.9
175.11162	1.5
177.12775	1.7
181.12221	7.4
187.14868	2.6
191.10614	10.0
193.12251	2.7
195.13712	1.7
203.50966	1.4
209.11685	14.8
213.16377	1.7
215.17947	13.0
223.13283	23.1
227.12733	10.0
233.18904	11.4
241.14304	26.0
265.14267	8.3
267.15933	1.7
271.20648	2.8
283.15298	19.4
289.21649	2.9
307.22632	98.2
308.22955	7.1
315.17972	51.9
423.29083	4.3
497.32437	8.9
515.33618	62.0
516.33746	4.9
518.05164	1.6
529.35400	2.6
547.36218	100.0
548.36633	9.6
744.43182	5.5
745.40656	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	744.488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01857	1.5
55.05502	13.1
57.03201	0.9
57.03432	7.9
57.07061	2.3
59.04982	2.7
61.02912	3.3
65.03919	2.7
67.05494	100.0
68.05819	1.2
69.03412	2.5
69.07056	11.8
69.76974	2.6
71.04980	18.3
77.03915	0.9
79.05479	35.6
81.03406	2.0
81.07043	38.8
81.14724	0.7
83.04971	3.5
83.08611	6.2
85.02893	3.0
85.06528	3.1
91.03967	0.9
91.05463	21.4
93.07031	43.0
95.04962	5.6
95.08593	29.7
97.02910	1.6
97.06545	4.8
97.10163	1.8
99.08073	1.4
105.04501	1.8
105.07018	11.0
107.08576	20.5
109.06512	1.3
109.10139	54.8
111.08097	3.4
114.96632	0.8
117.06985	4.3
119.08566	16.0
121.10120	15.4
121.74793	0.9
123.11642	2.1
129.06947	1.1
131.08531	8.1
133.10092	8.1
133.89275	0.8
135.08012	1.2
135.11670	14.7
137.09575	8.8
139.11143	2.0
143.08583	1.1
144.56358	0.7
145.10095	7.7
147.11652	4.7
149.13234	3.1
155.08430	0.9
155.10614	1.9
157.10132	1.2
159.11674	2.8
161.13225	2.5
163.11156	3.5
165.12791	1.2
167.48364	0.9
169.12215	1.9
171.11667	1.4
173.11749	8.4
173.13141	1.6
181.12254	1.5
185.13248	1.0
187.14780	1.1
211.13220	1.2
213.14876	2.8
229.14325	1.5
243.15863	2.0
244.60034	0.8
249.85762	0.9
255.15791	4.6
261.22144	3.4
287.18503	23.9
287.23505	1.0
289.94421	0.8
335.25754	22.5
335.29565	1.6
379.29425	1.2
397.31024	2.4
423.32703	1.9
471.34741	4.0
489.35681	86.4
490.35989	6.1
497.36157	1.2
503.37198	3.6
515.37286	12.8
533.38177	1.1
547.39844	70.1
548.39966	4.9
621.50708	0.9
744.46753	1.2
745.40753	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53719	2.4
53.03938	5.7
55.01864	24.5
55.05251	4.8
55.05500	57.8
57.03432	20.2
57.07060	4.2
59.04965	3.2
65.03915	5.6
67.05492	93.3
69.03396	8.0
69.07059	29.6
71.01343	5.2
71.04974	8.3
71.08613	11.0
79.05104	2.3
79.05478	76.8
81.03407	17.8
81.07043	100.0
82.07369	3.9
83.04972	25.3
83.08604	36.7
85.02886	3.1
85.06540	6.6
86.09680	5.0
91.05463	49.7
93.07030	65.9
95.04948	42.0
95.08591	37.7
97.02861	7.0
97.06516	18.5
97.10150	37.3
99.04429	4.7
99.08062	14.4
105.04517	3.9
105.07005	41.6
107.04951	22.5
107.08576	42.3
109.06497	18.2
109.10136	34.4
111.04438	15.2
111.08042	16.9
113.06019	4.2
116.04721	4.1
117.07027	20.9
119.06108	2.7
119.08574	34.1
121.06479	14.1
121.10123	27.3
123.04412	8.0
123.08062	22.3
123.11640	3.8
125.05997	3.2
125.09617	41.3
128.06192	4.3
129.05484	13.8
129.06960	7.7
131.08548	26.1
133.06433	3.3
133.10129	17.5
135.08023	18.4
135.11662	17.1
137.09637	13.3
138.26663	2.6
139.11160	8.0
142.85649	3.0
143.07077	2.7
143.08562	7.9
145.06473	4.1
145.10110	22.5
147.08006	12.9
147.11641	13.8
149.09628	14.3
149.13223	9.0
151.11143	5.2
153.09084	11.0
153.12718	9.0
155.08508	3.2
155.10667	8.6
157.08644	6.8
157.10091	7.8
159.08110	4.1
159.11665	14.3
161.09634	12.9
163.11174	29.8
165.09105	5.3
165.12662	5.4
167.10605	5.3
171.10217	3.7
171.11630	2.9
173.09604	6.6
173.11673	5.6
175.11169	7.8
177.12730	8.6
181.12213	11.1
184.07314	9.9
187.11110	3.5
189.11191	27.2
191.10651	7.9
193.12144	20.8
195.13795	4.5
205.12166	2.8
209.11665	4.7
215.18001	4.3
221.11531	3.2
223.13228	8.4
227.12743	23.6
229.14276	14.8
233.18889	4.1
245.13832	4.3
245.18990	4.0
247.20496	4.3
263.19986	2.9
273.18457	28.8
275.20004	26.0
289.17889	4.5
291.19540	48.3
293.21072	42.9
307.22601	19.8
309.20636	3.9
315.14322	11.1
315.17664	4.2
347.22028	10.4
349.23682	13.7
365.23178	20.7
366.23337	3.6
367.24844	28.5
383.24167	10.0
385.25662	6.3
399.23572	20.7
401.25262	12.9
417.90082	3.1
441.09314	2.7
519.32904	3.2
537.34015	3.6
547.35413	11.3
559.35846	5.0
639.42163	6.0
657.43042	6.3
691.44025	5.5
709.44318	5.9
744.37927	8.6
745.39984	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	745.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01871	0.8
55.05523	1.0
57.03426	2.1
57.96390	0.5
59.05000	0.7
59.08231	0.6
61.02924	5.3
67.05488	4.0
69.03433	2.3
69.07058	0.8
69.30251	1.5
69.30654	1.5
71.01378	0.5
71.05006	1.7
73.02903	3.2
79.05484	4.2
81.03415	7.2
81.07042	3.7
83.04989	1.1
83.08603	1.3
85.02888	5.7
85.06566	0.7
87.04466	1.3
91.03974	2.2
91.05469	3.6
92.71033	0.5
93.07037	3.3
95.01302	0.5
95.04943	2.8
95.08630	1.7
97.02888	4.7
97.06537	0.9
99.04472	1.1
101.02384	1.6
103.05466	0.7
105.03347	2.7
105.06995	2.6
107.04987	2.1
107.08598	1.2
109.02886	1.0
109.06492	0.9
109.10164	0.9
111.04436	1.0
111.08087	1.3
111.11749	0.6
119.08604	2.4
121.10166	3.4
122.43104	0.6
127.03971	1.2
129.07045	1.2
131.08607	2.0
133.10144	1.1
135.11757	1.5
137.09569	0.9
145.05046	0.8
145.10158	2.5
147.11720	1.8
149.09691	1.4
151.97551	0.5
157.10181	1.5
162.18985	0.5
163.11206	1.7
167.07112	0.6
173.09688	1.4
175.11162	0.7
177.05466	0.7
181.12299	1.0
185.04277	0.8
191.10736	0.7
193.12325	1.2
225.14978	0.7
227.12869	0.8
243.08505	2.0
267.12170	1.6
283.15128	3.1
323.14578	0.7
339.17932	0.7
451.19647	1.1
469.85522	0.6
485.19885	10.6
486.20465	0.6
501.22855	8.0
695.32281	7.5
727.34680	3.0
745.36200	100.0
746.37280	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	745.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01859	1.7
57.03408	1.7
61.02913	4.8
67.05485	3.3
69.03410	2.0
69.21188	2.4
69.21573	2.7
71.04966	1.0
73.02892	2.9
77.03905	4.6
78.04250	2.1
79.05496	2.2
80.49249	1.0
81.03404	4.0
81.07038	2.6
83.08606	1.2
85.02906	5.0
91.03941	1.2
91.05470	4.5
93.07012	1.7
95.04952	25.9
95.08573	1.2
96.05297	7.7
97.02866	5.0
97.05586	0.8
101.02359	1.1
105.03379	95.9
105.04419	9.2
105.07006	3.2
106.03712	43.4
106.04842	4.1
106.07338	1.3
107.03931	6.8
107.08564	2.3
117.05642	0.9
119.08546	2.3
121.06516	1.7
121.10165	1.7
125.09563	1.1
127.03905	1.8
128.06219	1.1
129.05498	1.5
129.06958	1.8
131.08571	1.5
133.10112	1.9
143.08603	1.5
145.06403	1.5
147.08012	1.1
147.11693	1.6
148.07463	1.4
157.08832	4.3
158.09245	1.8
160.07584	3.4
162.09113	1.2
165.12804	1.4
172.07643	1.3
173.08247	3.1
174.08896	3.0
175.09401	1.3
179.08531	1.2
180.08894	1.0
185.04182	3.7
193.10056	1.9
193.12277	1.3
201.03659	1.4
203.08545	1.4
205.09850	1.5
206.10451	2.3
215.08546	1.3
216.09198	2.0
217.09573	1.9
218.10257	1.5
220.12013	1.3
231.11610	2.2
232.11943	3.3
233.11633	1.3
234.10028	1.3
236.10913	1.0
243.08366	3.3
259.68900	1.0
260.11536	1.7
262.15625	1.5
263.16147	1.6
265.14081	1.8
267.15884	1.3
272.14169	2.3
273.14673	2.7
274.15033	2.0
275.12817	2.1
283.15167	7.5
289.14386	1.8
290.15201	4.0
291.15744	6.3
292.15924	4.5
293.16223	1.7
301.08841	12.5
308.16098	2.1
309.16702	5.3
315.10370	2.7
319.15247	1.6
320.15546	1.1
323.18130	1.8
327.10675	1.0
329.11819	1.2
336.15808	2.0
337.16324	2.0
339.17273	1.1
354.22482	1.0
373.10953	4.1
379.17325	1.1
380.17627	1.0
381.18909	5.2
383.16882	1.2
385.18320	6.8
387.12283	1.1
393.75363	1.2
399.20004	2.4
427.19479	5.5
429.16803	1.2
439.19046	1.6
441.20166	1.8
443.18515	1.7
457.20068	1.7
465.28287	2.1
469.20297	3.5
473.20514	1.0
499.21338	2.3
501.23108	16.3
502.21280	1.1
503.21149	1.3
511.29047	1.7
517.22052	1.5
529.22516	10.3
543.23444	1.1
545.21265	1.5
573.25000	8.7
587.27228	2.3
601.27789	3.1
613.31799	2.2
615.29224	1.6
623.25433	1.7
641.30823	2.9
643.32581	5.0
685.25012	1.5
727.34546	1.9
744.28101	1.7
745.29016	100.0
746.28979	5.1
746.37915	2.0
749.54175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.05499	2.7
57.03435	3.9
61.02931	6.9
62.00539	1.3
67.05495	3.5
69.03421	4.6
69.07072	2.2
70.51624	2.6
71.04993	2.9
73.02904	5.1
77.03931	4.1
78.04243	1.7
79.05489	4.7
81.03408	8.7
81.07041	5.5
83.04929	1.4
83.08612	2.9
85.02893	7.6
86.18566	1.5
87.77982	1.5
91.03954	3.3
91.05473	6.0
93.07046	4.8
94.06569	1.5
95.04956	27.3
95.08607	2.0
96.05296	8.1
97.02869	6.8
99.04453	2.5
101.02352	2.7
103.03900	2.1
105.03381	100.0
105.04409	9.2
105.07010	6.3
106.03719	41.6
106.04838	3.5
107.03916	6.2
107.08578	2.6
107.69341	1.4
109.10167	2.6
117.07064	1.9
121.10124	2.6
127.03904	3.8
129.05460	3.6
129.06995	2.5
133.10214	1.5
145.04953	1.7
145.06445	1.3
145.08493	1.6
147.11700	2.2
149.09612	2.5
157.08876	3.4
157.10110	1.5
158.09169	3.5
160.07561	2.0
173.08357	2.4
174.09026	3.4
175.09398	1.3
175.11166	2.7
179.08450	1.7
185.04167	5.8
192.46243	1.4
193.12297	4.3
203.05219	1.7
207.13615	1.9
216.09193	2.4
219.11397	1.7
243.08372	5.9
247.13205	2.0
257.11761	2.4
265.14102	2.3
267.15976	1.6
272.14252	2.0
273.14621	3.3
281.13745	1.7
283.15182	15.1
289.14325	2.1
290.15070	4.7
291.15659	6.0
292.15967	2.2
301.08878	20.4
309.16644	5.1
310.17035	1.7
315.10431	5.8
316.02631	1.6
319.15430	2.2
323.18289	5.2
337.16077	2.2
339.17758	3.3
341.12088	1.9
373.11075	6.5
381.18805	9.2
383.16519	3.1
385.18411	11.7
387.12329	1.5
395.20447	2.2
397.18127	1.6
399.19702	3.8
415.15375	1.9
427.19467	10.1
441.20676	3.1
443.18765	1.8
457.20493	1.5
465.27963	4.5
469.20313	5.9
483.21869	2.6
499.21475	4.0
501.22916	28.3
502.21912	1.9
511.28021	3.3
517.22607	1.7
529.22516	22.8
545.21906	2.6
563.23572	1.7
573.25079	20.1
582.19946	1.8
587.26099	4.4
601.27887	4.6
613.31769	2.6
615.29822	2.3
623.25421	3.6
629.30719	1.8
641.31036	6.2
643.32825	8.9
657.34058	1.8
673.34009	1.7
683.35394	1.9
699.34540	2.3
727.34039	4.0
728.34662	1.9
744.38129	2.8
745.28632	75.2
745.35712	92.4
746.27057	2.8
746.35858	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	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.94688	0.6
55.05503	2.6
57.03427	2.3
61.02913	6.4
67.05492	6.4
69.03419	5.1
69.07053	2.3
71.01337	0.7
71.04987	1.5
73.02909	5.6
79.05489	4.3
79.82448	0.7
81.03401	3.8
81.07047	7.0
83.04988	1.5
83.08623	2.2
85.02890	6.8
91.03959	5.1
91.05473	3.7
93.07032	5.9
95.04963	2.3
95.08593	4.6
97.02870	5.2
98.22713	2.4
99.04421	1.2
101.02389	2.8
105.07034	3.2
107.04964	0.8
107.08604	3.6
109.06503	1.1
109.10156	2.9
111.08051	0.8
117.07028	1.0
119.08567	2.7
121.10152	2.2
123.08093	0.8
124.25610	0.7
127.03909	1.9
129.73773	0.7
131.08585	1.9
133.10150	2.1
135.11691	2.3
145.10112	2.6
152.67116	0.8
163.11194	2.4
175.00955	0.7
185.04510	0.8
193.12312	0.9
243.08377	1.8
249.11047	0.9
335.25867	1.7
337.27203	1.0
400.66367	0.7
467.18808	8.4
490.36118	1.0
519.29169	5.8
547.39990	0.8
548.40002	2.2
745.41187	100.0
746.41345	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	745.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01865	0.5
55.05513	1.7
57.03429	2.0
61.02919	5.6
65.03928	0.4
67.05494	6.3
67.47929	0.2
69.03420	3.3
69.07061	1.3
71.01347	0.4
71.04977	0.6
73.02905	3.7
79.05486	3.7
81.02976	0.2
81.03409	1.4
81.07045	5.1
81.07491	0.4
83.04976	0.4
83.08611	0.9
85.02901	4.7
87.04464	0.3
91.03946	3.3
91.05468	2.2
93.07029	4.6
94.07368	0.4
95.04958	1.5
95.08595	3.4
97.02885	4.4
97.10095	0.3
98.22658	0.8
99.04446	0.9
99.78428	0.2
101.02357	1.4
103.03970	0.4
105.04510	0.3
105.07018	1.7
107.04945	0.4
107.08571	3.0
109.02872	0.4
109.06506	0.3
109.10153	1.2
111.04395	0.3
111.08051	0.4
115.03922	0.3
115.49802	0.2
117.07019	0.7
119.08586	1.4
121.10146	1.6
122.01881	0.3
127.03909	1.0
129.06912	0.3
131.08568	1.1
133.10143	1.0
135.11687	2.3
143.08508	0.3
145.04971	0.3
145.10117	1.6
147.11652	0.4
149.09604	0.3
149.13275	0.4
159.11668	0.4
163.11133	1.7
173.13217	0.3
181.12167	0.3
203.05193	0.3
227.12834	1.1
243.08440	2.0
249.10951	9.4
249.13483	0.5
305.13632	0.8
335.25784	0.7
382.23019	0.3
453.15265	0.3
467.18942	3.9
519.29260	7.8
520.29285	0.5
583.35333	0.4
583.43549	0.6
745.41187	100.0
746.41553	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	745.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01859	0.8
55.05502	1.6
57.03436	2.4
59.04977	0.3
61.02916	6.5
67.05497	5.1
69.03419	3.4
69.07054	1.1
71.01347	0.7
71.04990	0.7
73.02913	4.4
79.05475	4.3
81.03409	2.6
81.07045	5.9
81.32612	0.3
83.01370	0.5
83.04971	1.0
83.08607	1.2
85.02893	6.1
87.04449	0.4
87.54899	0.3
91.03937	3.5
91.05469	2.7
93.07030	4.8
95.04977	1.2
95.08588	3.8
97.02876	5.1
97.06504	0.8
99.04467	1.2
101.02377	1.8
105.07021	1.4
107.08585	2.2
109.02870	1.0
109.06493	0.6
109.10125	1.7
117.06998	0.7
118.82101	0.3
119.08568	1.2
121.10134	2.5
123.08086	0.6
123.11713	0.5
127.03894	1.8
131.08566	1.2
133.06549	0.3
133.10085	0.9
135.11650	2.0
145.04979	0.6
145.10136	1.3
147.11667	0.7
149.13292	0.6
152.47246	0.3
163.11165	1.4
185.04285	0.7
203.05360	0.4
242.10214	0.3
243.08322	1.9
249.11002	1.2
293.55417	0.4
335.25867	1.2
467.18890	4.5
468.18671	0.4
519.29169	9.6
520.29541	0.5
548.39929	0.7
625.66382	0.4
745.41144	100.0
746.41437	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	745.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	5.3
55.05507	24.5
57.03426	14.6
61.02922	10.3
64.38325	3.5
67.05496	70.5
69.03408	7.8
69.07048	24.2
70.21548	4.1
70.91432	5.6
71.04981	8.2
71.57063	4.2
77.03909	4.7
79.05486	92.7
81.03437	5.0
81.07046	62.6
83.04968	5.0
83.08607	17.8
85.02869	10.9
86.04860	4.0
91.05468	68.8
93.07032	100.0
95.04939	19.2
95.08596	64.4
97.02890	9.1
97.06526	7.3
103.05510	4.1
105.04507	4.9
105.07014	57.2
107.08574	38.5
109.06460	7.0
109.10136	17.1
111.08070	4.4
117.06999	18.7
119.08554	56.7
121.10123	42.2
123.11678	5.8
125.63686	4.2
129.05539	5.1
129.07008	16.7
129.46741	4.1
131.08546	29.7
133.10094	48.3
135.11656	31.7
137.97884	4.8
140.92374	4.3
143.08530	13.0
145.10100	32.4
147.11650	38.7
148.61821	4.7
149.13237	13.9
157.10112	15.4
159.11676	26.7
161.13264	28.1
163.11215	7.2
163.14790	7.8
169.10117	8.0
171.11658	19.5
173.13243	17.6
175.14803	13.0
177.12636	4.4
181.10013	5.2
183.11658	6.1
185.13194	9.9
187.14847	7.6
199.14767	7.5
203.18050	4.8
211.14720	5.4
213.16348	16.6
215.17960	5.1
227.12671	8.4
229.19342	4.6
231.17345	9.6
239.17961	4.6
241.19478	18.0
243.21259	5.2
251.79761	5.1
259.20569	40.7
260.20914	4.0
283.15295	5.5
290.17856	4.3
301.21194	7.4
307.22620	89.2
333.24075	36.4
335.25732	15.6
339.28793	8.9
367.22949	6.5
382.53409	4.4
385.23740	6.0
491.38715	7.5
527.76886	4.8
548.39996	15.7
565.42377	11.1
583.43524	84.4
673.43896	6.6
727.46936	4.8
745.44806	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	746.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01855	1.4
55.05517	1.2
56.05028	1.1
57.03420	0.7
58.06594	2.0
64.53195	0.7
67.05495	1.6
69.03445	1.6
69.07063	1.1
70.06580	1.7
70.69209	1.7
71.04982	1.3
75.04468	2.4
77.03917	1.6
79.05482	2.6
81.03410	1.4
81.07064	2.3
85.02888	3.4
91.05448	4.3
93.07056	2.0
94.06557	2.1
95.04952	12.2
96.04440	0.9
96.08140	1.2
97.02874	1.2
97.06491	0.9
105.03380	71.6
105.04401	5.0
105.07023	2.2
106.03727	1.2
107.04936	1.9
107.08578	1.1
108.08126	1.2
109.06509	2.6
111.08093	3.5
117.03348	1.0
117.07026	3.2
119.04932	1.1
119.08611	1.4
120.08095	1.6
121.06503	1.8
121.10109	1.2
123.04417	1.0
126.09137	0.9
128.06142	0.9
129.07010	3.3
131.08562	3.3
137.05991	3.3
137.09766	0.8
138.09128	2.8
141.06976	2.1
141.09113	0.9
145.02853	3.3
145.06485	0.9
145.10078	1.1
146.09654	0.9
147.04379	1.9
147.08061	1.1
148.07584	1.4
149.05971	0.9
155.08604	1.3
157.06551	1.0
158.09639	1.6
159.08057	1.5
160.07574	3.0
161.09456	1.0
164.10683	2.6
165.06999	1.6
167.07050	1.4
167.08498	1.1
170.09715	1.2
172.11194	1.5
173.09596	1.2
176.10687	1.7
177.05481	7.0
178.07736	1.1
179.08499	2.2
183.08049	1.1
187.11194	1.0
188.10629	1.6
191.08533	1.3
193.10139	1.6
202.12157	1.1
203.08598	1.0
204.13911	3.3
205.10069	1.6
209.09673	1.1
211.07587	1.1
215.08656	1.2
217.10228	1.5
219.08096	1.4
225.09422	1.1
228.23201	1.7
230.55231	0.8
233.09625	2.6
237.09023	1.4
238.12082	1.3
249.08987	1.1
250.09334	0.8
251.10658	1.6
261.09076	2.0
262.12311	1.0
265.12234	1.1
279.10199	1.5
287.05533	2.5
292.13449	1.1
294.12296	2.0
310.12006	1.1
325.14319	2.4
326.17398	2.2
340.19260	2.4
354.16980	12.6
358.19919	1.6
372.21872	1.2
390.22763	3.3
462.22156	1.1
480.23859	3.1
508.23370	1.7
512.26196	4.7
522.24719	2.9
540.25745	3.0
572.28442	26.5
573.28973	2.4
746.29999	100.0
747.30670	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	746.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01860	1.3
55.05494	0.4
58.06581	1.0
59.04975	0.4
65.03918	0.4
67.05483	0.8
69.03408	0.5
69.07053	1.7
70.06572	1.2
71.04971	1.2
71.45467	0.4
72.04481	0.4
75.04465	2.9
77.03912	2.3
79.05485	2.1
81.03416	0.9
81.07051	1.8
82.06565	1.1
83.04980	1.0
84.08125	0.4
85.02891	1.7
85.06501	0.4
88.07639	0.7
88.12687	0.3
88.76972	0.3
91.05470	3.9
93.07030	1.2
94.06547	2.3
95.04955	14.8
96.08121	1.8
97.02884	0.4
97.06512	2.3
98.06036	0.5
98.09585	0.3
99.04454	1.6
100.07627	0.4
101.06001	0.3
103.05462	0.8
105.03378	88.7
105.04389	5.5
105.06984	3.0
106.03721	1.4
107.04935	1.0
107.07326	1.1
107.08546	0.7
108.08113	1.4
109.06511	2.7
109.10123	0.4
110.06010	0.4
111.08076	4.2
115.05445	1.4
116.06185	0.5
117.05748	0.6
117.07002	4.1
118.06528	0.8
119.04939	0.8
119.08558	1.1
120.08082	1.1
121.06481	2.2
122.06001	0.7
123.04460	0.7
124.07590	0.7
125.05976	1.8
126.09131	1.0
128.06198	1.3
128.10704	0.7
129.06981	4.2
131.04927	1.0
131.07361	0.6
131.08557	3.0
132.08107	1.8
133.02939	0.4
133.06453	0.9
133.08896	0.4
133.10112	0.4
134.09669	1.1
135.04417	0.9
135.08049	1.2
136.07639	0.5
137.05930	1.8
138.09109	3.5
140.10686	0.4
141.06998	1.7
141.09079	0.8
143.07013	2.1
144.05754	0.4
144.08099	1.2
144.09178	0.4
145.02881	0.5
145.06470	1.4
145.08984	0.7
145.10088	3.5
146.03601	1.0
146.05978	0.5
146.09666	1.3
147.04362	1.9
147.08047	1.5
148.07547	1.4
149.06055	0.7
150.09143	0.5
151.03954	0.4
153.05617	0.4
153.06999	1.4
155.08560	1.2
157.06493	1.0
157.08861	0.8
157.10086	0.5
158.07222	0.6
158.09665	1.5
159.08028	1.9
159.10474	0.4
159.11684	1.2
160.07532	5.5
160.11186	0.6
161.02316	0.4
161.06021	0.4
161.09644	1.5
163.03900	0.4
163.07564	0.9
163.11191	1.4
164.10736	1.5
165.05666	0.5
165.07040	1.8
166.07750	1.2
167.07219	0.6
167.08612	1.4
169.06493	1.3
169.08815	0.6
169.10159	0.9
170.09692	1.0
171.08064	1.0
172.07509	0.5
172.11185	1.7
173.06029	0.7
173.09615	3.7
174.05521	1.0
174.09164	0.4
175.06206	0.5
176.07094	1.1
176.10715	1.2
177.05412	1.7
178.07764	1.2
179.08508	2.0
181.06502	0.7
181.10091	1.3
182.07220	0.5
182.09627	0.5
183.08067	0.7
184.11246	0.6
185.05905	0.5
185.09712	0.3
187.07610	0.8
187.09720	0.5
187.11188	2.9
188.07069	0.9
188.10722	1.3
190.07828	1.1
190.12320	0.6
191.08574	2.1
191.10670	1.0
192.09247	0.6
193.06348	0.4
193.10115	1.6
194.07376	0.4
194.09642	0.4
195.08096	1.0
196.11240	0.7
197.05891	0.5
197.09669	1.2
199.07613	0.5
200.10712	0.4
202.07796	1.3
202.12276	0.8
203.08586	1.2
204.09288	0.7
204.13811	3.6
205.10158	3.2
205.12236	2.4
207.08023	1.1
207.11620	0.7
208.08937	0.6
209.09552	1.0
211.07599	0.7
211.11208	0.5
213.09183	0.6
214.12332	0.4
215.08594	1.1
215.10719	3.0
217.10187	0.8
218.07249	1.0
219.08099	1.2
220.08865	0.6
221.09660	1.3
222.12808	0.6
222.14966	1.0
223.07547	0.7
223.11160	0.8
225.09128	0.7
232.08794	0.7
233.09595	2.9
233.11789	4.2
234.10405	0.5
234.12749	0.6
235.07552	0.7
235.11205	1.2
236.08318	0.5
236.10793	0.4
237.09148	0.9
237.12761	0.4
238.12297	0.9
239.10794	0.5
245.09573	0.7
247.07474	0.4
247.11194	0.6
248.08357	0.4
249.09102	1.0
250.12238	0.5
251.10501	1.7
251.12750	1.9
259.09714	0.6
261.09149	2.1
261.11594	0.5
262.12378	0.7
263.10657	1.0
264.13840	0.6
265.12241	1.0
269.13916	0.8
270.14822	0.4
273.09058	0.6
276.13928	0.9
278.11578	0.5
279.10138	0.9
282.14999	0.9
292.13333	0.7
293.11603	0.9
294.14944	0.8
304.13409	1.0
308.16339	0.7
310.14481	0.5
322.14487	0.6
325.14316	0.6
326.17624	1.9
336.15833	1.6
340.18921	2.4
354.16928	17.5
355.17615	0.8
358.20251	1.4
359.14807	0.7
362.23383	1.0
368.18475	0.5
372.21866	0.6
386.19553	0.7
390.22717	3.1
404.20303	0.4
413.18085	0.8
418.21600	0.4
432.18002	0.5
448.21329	1.3
451.83591	0.4
458.19461	0.4
462.22757	2.3
464.20660	1.3
476.20715	1.3
480.23752	3.3
490.22223	1.7
494.25677	0.5
496.23410	0.9
508.23300	3.2
512.26324	6.3
513.26855	0.4
522.24811	2.8
540.25897	4.2
572.28455	36.7
573.28876	3.4
696.25446	0.4
746.30011	100.0
747.30365	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01886	0.7
56.44973	0.6
58.06570	1.5
69.14408	1.2
69.14800	2.5
70.06572	1.1
71.04999	1.5
75.04456	3.5
77.03913	3.6
79.05479	1.4
80.02108	0.7
81.03405	0.8
81.07045	1.3
82.06573	0.9
85.02878	1.3
88.07632	0.8
91.05462	2.5
94.06540	3.3
95.04955	14.9
96.08119	1.6
103.05476	0.8
105.03375	97.5
105.04509	5.2
105.07013	1.5
106.03677	1.2
107.04955	0.7
107.07336	1.1
108.08088	2.3
108.75081	0.7
109.06504	2.4
111.08084	4.6
115.05457	1.7
117.07005	3.2
118.06541	0.8
120.08064	1.1
121.06525	0.8
122.09666	0.6
126.09159	1.0
128.06195	0.8
129.07008	3.4
131.07407	0.7
131.08545	2.2
132.08055	1.0
133.02803	1.0
133.08931	1.0
134.09599	1.3
135.04369	0.7
135.08037	0.9
137.05913	1.1
138.09160	3.3
141.06960	1.9
141.09206	0.6
142.07771	0.7
144.08014	0.8
145.06477	1.8
146.09644	1.8
147.04384	2.5
147.08009	1.5
148.07561	2.0
150.09171	0.8
153.06967	0.9
158.09645	2.0
159.08000	1.3
160.07542	5.7
161.09480	1.1
164.10707	1.3
165.06981	2.2
165.94398	0.7
167.07141	0.6
167.08521	2.1
169.06433	0.7
170.09639	1.0
171.07951	1.0
172.11163	2.7
174.05521	1.8
176.06981	0.9
176.10649	1.8
178.07829	0.9
179.08565	1.9
181.08693	0.7
181.10126	0.6
182.09628	1.2
185.09579	0.8
188.10623	1.0
191.08513	1.8
192.09259	1.2
193.10115	2.1
195.08173	1.4
202.07784	1.4
203.08464	1.5
204.13820	3.8
205.10158	3.4
207.11717	1.4
209.09587	1.2
215.08560	1.2
217.10210	1.4
219.08047	1.2
219.11844	1.0
221.09598	1.8
223.11174	1.3
233.09631	2.9
235.07487	0.9
235.11162	1.1
237.09026	2.1
239.10744	0.8
249.09096	1.0
251.10851	1.6
252.13910	0.8
261.09140	3.2
263.10593	0.9
265.12228	1.3
267.10117	0.7
276.13739	1.5
278.11966	0.7
279.10007	0.9
292.13190	1.2
293.11722	0.9
304.13156	1.5
304.88977	0.7
308.47104	0.7
310.14471	1.0
324.15958	0.7
325.14310	1.1
326.17355	3.5
336.15973	1.7
340.19153	2.6
354.16953	20.9
355.17191	1.0
358.20221	2.1
362.23257	0.8
386.19370	1.1
390.22629	4.6
418.22137	1.2
448.21387	1.3
462.22894	4.0
464.21109	1.1
466.22787	0.9
476.20743	1.8
480.23691	5.7
490.22205	2.4
496.23065	1.2
508.23318	4.6
512.26398	8.7
522.24719	3.7
540.25800	5.1
542.66577	0.8
572.28436	33.6
573.28772	2.2
696.24921	1.0
702.31476	1.3
746.30017	100.0
747.30365	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	746.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01872	0.6
55.55918	0.6
58.06599	1.1
59.04994	0.6
59.68042	0.6
67.05512	0.8
69.94628	1.3
69.94971	1.2
70.06586	1.0
71.04981	1.4
75.04469	3.2
77.03931	2.4
79.05482	1.6
81.03413	0.8
81.07036	1.0
85.02926	1.2
91.05470	1.7
94.06570	2.5
95.04955	11.7
96.08131	1.4
100.07578	0.9
105.03378	76.6
105.04395	4.9
105.07030	2.0
106.03712	1.3
107.07370	0.9
108.08121	2.1
109.06520	1.3
111.08060	4.3
115.05478	1.1
117.07031	2.8
118.24507	0.7
119.75429	0.5
120.08110	1.0
121.06485	1.0
126.09116	1.0
128.06172	0.7
128.72482	0.6
129.07018	2.7
131.07300	0.6
131.08586	1.9
132.08109	1.1
133.02811	0.9
133.06480	0.9
134.09666	1.1
135.04350	0.6
135.08076	0.7
137.05969	1.5
138.09131	2.6
141.06940	1.1
141.38051	0.6
144.08060	1.4
145.08815	0.8
146.05952	0.7
146.09633	1.3
147.04417	1.8
147.08086	1.8
148.07584	0.7
155.08681	0.8
157.06508	0.8
158.09677	1.1
159.08038	1.1
160.07532	4.5
160.11156	0.8
161.02336	0.8
164.10732	1.6
165.05614	0.7
165.06975	1.1
167.08540	0.9
170.09659	1.3
172.11229	1.3
174.05498	1.2
176.10786	0.8
177.05563	0.8
178.07692	1.3
178.12228	0.7
179.08505	1.7
181.06403	0.8
187.07594	0.8
188.07152	0.7
188.10732	2.3
191.08598	1.5
193.10112	1.1
195.08160	0.8
202.07843	1.4
202.12146	0.7
203.08553	1.2
204.09328	1.0
204.13884	2.3
205.10086	3.4
207.08044	1.4
209.09590	1.3
215.08554	1.7
218.07126	0.8
219.08040	0.8
221.09621	1.5
222.14862	0.8
223.11111	0.7
233.09660	1.9
235.07664	1.2
235.11234	0.9
237.09085	1.4
243.33911	0.8
245.09724	1.0
247.11320	1.1
251.10742	1.7
261.09088	1.5
263.10669	0.7
265.12189	0.7
266.11810	0.7
276.14160	0.7
279.10208	1.2
294.14932	1.0
310.14438	1.2
322.14343	0.9
326.17554	2.8
330.20761	1.0
335.81400	0.7
336.15933	1.2
340.19196	2.2
354.16934	15.6
355.17126	0.6
358.19992	1.2
372.21445	0.9
386.19366	0.7
390.22742	4.0
448.21362	1.4
460.31418	0.6
462.22885	2.0
480.23691	3.9
490.22479	1.3
496.23224	1.3
508.23190	2.0
512.26465	5.6
522.24854	2.9
540.25726	5.2
572.28485	26.3
572.37579	1.3
573.29053	1.6
746.29993	100.0
747.30328	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	746.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01847	6.6
55.05500	4.4
58.40149	1.6
65.03921	3.3
67.05480	6.8
69.03423	10.3
69.07058	28.2
69.25877	2.6
69.26280	7.1
69.58021	1.7
71.04987	4.5
71.48147	1.7
73.02917	1.8
75.98270	1.6
77.03903	2.7
79.05479	21.6
81.03395	11.6
81.07051	16.8
83.04969	21.9
83.14717	1.6
85.02890	7.4
91.05456	18.0
93.07026	20.4
95.04955	20.8
95.08614	8.2
97.02879	5.9
97.06514	47.1
99.04441	20.6
101.06089	1.7
103.05448	2.4
105.03378	40.8
105.04524	5.5
105.07014	40.0
105.16936	1.7
106.03696	2.4
107.04937	13.3
107.08569	16.8
108.08963	1.8
109.02870	6.0
109.06503	12.0
111.04411	2.5
111.08070	3.9
113.05973	1.8
115.05420	3.8
115.07586	2.3
115.51567	2.0
117.03356	4.1
117.06989	11.5
119.04914	6.9
119.08571	9.8
121.06483	33.2
121.10101	3.4
123.04433	2.4
123.08112	2.3
125.05968	37.2
127.03917	4.3
127.07565	1.9
128.06200	4.6
129.06949	5.6
130.07751	5.7
131.04874	3.0
131.08534	16.9
133.06471	10.6
133.10094	6.5
135.04382	7.3
135.08054	5.1
135.11676	9.8
137.05952	13.4
137.13205	2.0
139.07457	4.0
141.06961	3.5
142.07784	2.7
143.07011	28.5
143.08554	10.8
144.09264	4.1
145.02829	13.5
145.06461	12.9
145.10098	76.3
146.10487	2.0
147.04405	2.7
147.08040	6.4
147.11662	9.6
149.05997	4.2
151.07523	5.9
154.07735	4.7
155.07051	1.9
155.08507	7.2
157.06558	1.8
157.08618	1.7
157.10078	3.1
158.07269	8.7
159.08051	14.6
159.11670	27.3
160.07550	2.9
161.06039	2.9
161.09607	5.9
161.13248	3.0
163.07495	4.0
163.09753	3.6
163.11153	66.8
164.40457	1.8
165.06970	2.3
167.08490	3.4
169.06464	2.1
169.10144	8.4
171.08023	5.5
171.11736	4.6
172.08781	5.4
173.09596	73.4
174.09959	2.7
175.07582	2.2
175.11162	2.4
177.05440	22.9
177.09050	2.3
177.12753	2.7
179.07018	2.2
179.08562	3.5
181.10406	1.5
181.12144	8.8
182.07249	4.4
184.08806	2.0
185.05978	1.9
185.09590	3.4
187.07587	5.0
187.11148	43.9
188.11485	2.2
189.09064	3.8
189.12730	6.6
191.10649	17.1
195.08022	2.7
197.09578	13.8
199.07562	3.2
199.11191	4.1
203.10591	1.9
204.13828	2.1
205.12180	32.1
209.09633	2.2
210.22136	5.5
213.09120	2.3
215.10645	48.3
225.09012	3.3
225.12834	2.0
227.10716	2.9
227.12775	9.2
229.12317	3.1
233.11688	100.0
234.11951	5.1
239.10622	2.6
243.10072	2.4
245.08054	3.0
245.11801	2.2
246.24255	4.2
249.11298	4.1
251.10252	3.5
251.12755	56.1
253.12192	2.1
257.11731	3.4
261.11423	3.3
263.12744	2.4
269.13791	12.7
271.13281	3.5
275.12756	6.5
279.12280	4.6
294.12405	2.3
295.12650	3.6
299.12708	5.1
311.12390	2.6
312.13211	2.1
313.14023	3.0
314.14246	2.3
317.13837	3.2
323.12613	2.8
325.14371	2.9
333.17029	2.0
341.13663	5.9
354.16913	7.9
357.60291	1.8
359.14832	9.9
372.17883	2.1
377.15927	14.2
390.22821	2.1
395.17081	15.2
413.17892	15.9
512.26617	3.4
526.51276	1.9
572.28595	12.7
584.34570	2.3
599.06409	2.0
746.29626	49.1
746.41602	3.1
747.29749	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	746.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01861	4.4
55.05510	5.3
65.03927	1.8
67.05498	4.4
69.03421	11.8
69.07056	28.2
69.11173	10.4
69.70553	1.4
70.06589	1.9
71.04985	6.8
75.04465	2.1
77.03931	4.9
79.05482	17.1
81.03401	11.5
81.07040	10.9
81.49476	1.4
83.04971	29.5
83.05436	2.6
85.02892	14.6
85.06535	1.9
85.13042	1.4
91.05457	19.3
93.07018	16.7
95.04944	22.7
95.08606	4.3
96.08096	1.6
97.02893	6.2
97.06518	53.6
99.04443	21.1
103.05437	1.8
105.03380	89.4
105.04415	6.9
105.07008	40.5
107.04947	8.4
107.08570	14.5
108.08110	2.3
109.02882	6.6
109.06518	13.8
111.04502	3.5
111.08073	3.3
115.05431	2.7
115.07570	2.1
117.06998	12.7
119.04948	6.8
119.08577	7.5
121.06493	34.6
121.07314	2.6
121.10134	1.7
123.08056	1.8
124.07578	1.6
125.05972	61.3
127.03943	5.5
128.06213	3.4
129.07010	6.3
130.07771	4.9
131.08545	16.0
132.08109	2.2
133.06511	8.5
133.10182	4.3
135.04414	4.2
135.08067	3.7
135.11705	5.1
137.05952	16.9
138.09132	3.0
139.07503	1.9
141.07004	4.9
142.07813	1.9
143.07010	61.8
143.08534	7.7
144.08167	2.0
144.09377	4.0
145.02849	2.5
145.04947	1.6
145.06497	9.8
145.10100	77.5
147.04459	2.3
147.08058	3.8
147.11674	5.6
148.07573	1.9
149.05968	3.1
151.07530	6.7
154.07739	3.3
155.08546	6.8
157.10150	1.8
158.07245	8.5
159.08072	10.6
159.11671	26.9
160.07579	4.8
161.05934	2.3
161.09630	3.5
163.07587	3.5
163.11156	32.3
165.05579	1.7
165.06870	1.6
167.07117	1.9
167.08545	2.2
169.06491	1.5
169.10089	12.6
171.08078	3.8
171.11688	2.7
172.08794	2.6
173.05872	1.8
173.09602	70.6
174.10037	3.3
175.07553	2.7
175.11241	2.2
176.10651	2.0
177.05463	3.5
177.12755	5.0
179.08578	4.1
180.20135	1.4
181.12224	1.4
182.07265	3.2
183.08058	2.3
187.11147	57.4
189.12788	5.2
191.06726	1.4
191.08884	2.8
191.10634	18.9
193.10092	1.9
195.08037	2.0
197.09596	8.6
204.13867	2.3
205.10329	3.5
205.12198	59.5
206.12643	1.9
209.09921	1.8
209.11783	6.8
215.10637	64.4
216.11017	1.7
223.71771	1.7
233.09679	2.8
233.11688	83.0
234.12088	2.3
235.11194	1.8
237.09048	2.0
251.10265	2.9
251.12776	40.9
252.13454	1.9
261.09140	2.0
269.13910	5.8
271.13409	2.1
275.75754	1.6
289.14526	2.0
305.83630	1.4
325.16830	1.6
326.17358	2.2
336.15945	2.8
341.13690	1.9
354.17072	12.6
359.14844	4.0
377.16019	8.0
390.22745	4.1
395.17007	7.3
413.17987	39.7
480.23825	3.8
508.23309	2.6
512.26373	4.9
522.24902	2.8
540.26050	3.9
572.28418	29.1
575.23608	1.9
746.29968	100.0
747.29779	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	746.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
56.05029	1.3
57.03429	0.7
58.06589	7.4
58.49491	0.6
61.02919	1.4
63.23216	0.5
65.78230	0.6
66.07471	0.6
67.05499	1.5
69.03421	5.0
69.07079	0.7
70.06578	1.1
70.72153	1.0
71.04988	2.0
72.08147	3.5
73.02920	1.1
75.04482	1.9
77.03944	0.6
79.05494	2.2
79.55865	0.5
81.03419	2.7
81.07057	1.5
83.70849	0.5
84.08131	1.1
85.02891	4.9
87.04459	1.2
91.05485	3.5
93.07051	1.7
94.06564	0.7
95.04971	2.2
95.08630	1.2
96.08136	0.8
97.02916	2.9
97.85571	0.6
99.04439	1.0
102.09189	2.6
103.05486	0.8
105.03382	9.2
105.04486	0.8
105.07037	3.0
108.07497	0.7
108.08079	3.6
109.02891	1.4
109.06514	1.5
115.05431	0.9
117.07047	1.8
119.08612	2.0
120.93489	0.6
121.06478	1.3
122.09705	2.1
124.11234	1.3
127.03913	1.4
128.06253	0.8
129.07022	2.5
131.08568	1.4
133.10184	0.7
135.08063	1.8
141.06999	1.1
143.08586	1.2
144.05708	0.7
145.04970	0.7
145.06396	0.7
145.10141	1.3
146.09650	0.9
147.08075	1.6
148.11154	0.9
152.10687	0.8
153.07079	0.6
154.12292	1.4
155.08604	1.5
158.09671	1.1
163.07481	0.8
165.07022	1.6
165.09171	0.8
167.08591	1.3
169.10201	0.7
177.05435	0.8
177.09023	0.7
178.07825	0.7
178.12314	1.5
179.08615	2.0
181.10181	1.3
185.09608	0.9
190.12291	1.0
191.08507	1.4
192.09406	0.9
193.10127	1.3
195.11823	0.9
202.07838	1.1
203.08611	1.7
204.09290	1.7
205.10219	2.1
217.10236	1.7
218.10751	0.7
231.11760	1.3
233.13348	1.4
235.11150	0.9
237.12703	0.7
243.11696	1.0
249.12755	1.1
255.20911	0.9
258.12695	0.7
263.14236	1.3
280.17145	0.7
285.13080	0.7
292.17218	0.9
294.18457	0.6
295.16901	0.6
301.21744	2.5
306.18488	1.4
319.22748	0.8
324.19781	0.8
334.01520	0.7
338.21283	1.1
352.22833	1.7
354.20776	0.7
367.21536	0.6
370.23871	1.5
380.22235	1.7
384.25674	0.7
412.24741	8.7
416.24231	5.5
417.28616	0.9
430.25848	5.2
444.27377	45.9
445.27835	1.9
462.28403	23.8
463.28790	1.2
534.29370	0.6
566.31207	2.3
584.32086	8.4
595.22406	0.7
624.33752	11.2
625.34637	0.9
746.37421	100.0
747.37671	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	746.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01864	15.1
55.05500	65.2
57.03426	18.3
65.03941	4.2
67.05492	44.3
69.03436	6.2
69.07056	42.9
69.89032	6.4
71.04980	8.7
77.03903	2.9
79.05477	74.5
81.03402	69.3
81.07042	55.1
81.07497	4.2
83.04963	24.5
83.08112	5.3
83.08607	100.0
84.08955	2.5
85.02888	32.3
85.06516	3.7
91.05464	81.4
93.07034	75.8
95.04951	46.7
95.08589	28.3
97.02883	6.0
97.06516	10.5
97.10133	5.9
99.04453	8.3
105.04488	3.2
105.07013	46.1
107.04932	21.1
107.08575	68.2
108.08893	2.7
109.06514	12.7
109.10162	11.1
111.04432	9.8
111.08064	24.0
113.06035	3.1
117.06994	37.3
119.08563	45.9
121.06492	12.6
121.10123	25.6
123.08051	9.0
123.11706	3.3
125.05961	4.0
125.09611	12.0
127.03834	2.7
128.06163	3.8
129.06947	13.2
131.08546	45.9
133.06502	10.0
133.10115	26.4
135.08034	27.9
135.11676	6.0
137.09596	17.9
139.11166	7.1
141.07028	2.6
142.07846	4.3
143.07063	2.6
145.10120	25.0
147.08041	7.3
147.11649	18.1
149.09596	50.9
149.10765	2.9
151.07516	3.2
151.11166	3.6
153.09087	6.8
155.08546	3.7
157.10089	14.0
159.07993	2.6
159.11691	10.1
161.09634	2.8
161.13222	3.7
163.07516	2.8
163.11150	15.0
165.09113	4.6
165.12704	4.2
167.10704	4.8
169.08650	3.7
169.10023	5.3
173.13225	6.2
175.11165	14.5
177.09099	9.1
187.11163	3.7
187.14804	4.1
193.12175	43.8
195.10175	3.7
201.16368	24.3
203.17944	3.8
211.13223	60.4
211.14748	3.9
212.13599	2.5
219.17403	67.0
229.15874	17.7
241.14299	2.6
247.16888	69.7
252.69423	2.6
257.13794	2.7
265.17932	28.5
267.15845	38.3
285.13757	4.3
285.16925	88.9
307.96695	2.4
308.05371	3.0
317.43045	2.4
321.20547	34.0
339.21613	55.6
497.46338	2.9
513.31891	16.4
519.54279	2.6
530.94128	2.9
531.33087	53.2
532.33771	3.1
549.34125	78.4
550.34399	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	746.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24015	1.2
53.03931	4.2
55.01864	7.7
55.05502	19.9
57.03417	10.5
57.07056	1.3
65.03932	3.8
66.19166	1.3
67.05490	53.5
69.03411	5.1
69.07056	23.3
69.95129	3.9
71.04972	4.8
73.02901	1.6
76.02911	1.4
76.99119	1.1
79.05478	41.3
81.03407	52.5
81.03898	2.9
81.07044	82.8
82.07383	1.6
83.04969	10.0
83.08606	15.4
85.02881	20.1
85.06534	2.9
91.05462	96.2
92.05772	1.8
93.07028	54.6
95.04951	22.6
95.08589	35.8
96.08907	2.2
97.02867	5.3
97.06513	11.3
97.10157	2.6
99.04429	1.5
99.08067	1.8
100.93767	1.3
103.05409	1.5
105.03380	2.2
105.04489	1.7
105.06343	2.3
105.07010	34.2
107.04937	11.2
107.08570	20.9
109.06498	22.5
109.10131	20.8
111.04462	1.9
111.08061	6.5
117.07010	13.3
119.08556	100.0
120.08912	2.0
121.06488	9.5
121.10103	17.2
123.04416	2.0
123.08019	10.4
123.11674	4.6
125.09637	2.7
129.06946	5.3
131.08557	13.6
133.06502	2.5
133.10104	18.3
135.08037	10.0
135.11662	4.1
137.09583	35.8
141.07002	1.5
143.08533	4.0
145.06461	2.7
145.10114	13.0
147.08028	11.4
147.11649	18.4
149.09589	12.1
149.13219	3.5
151.11162	3.8
155.08569	2.1
157.10094	3.8
159.11682	4.5
161.13203	2.9
163.11145	8.1
165.09090	37.7
165.12787	4.7
169.10165	2.0
171.11694	3.2
173.13304	3.2
175.11182	5.3
177.12674	3.6
183.10162	13.7
183.11641	2.6
185.13251	1.7
187.11174	1.8
191.14272	1.5
193.12207	5.1
197.13213	1.6
201.12762	2.6
205.12305	1.8
211.13211	4.6
229.19490	2.2
239.12747	34.4
239.17973	1.8
243.12369	1.4
247.16914	3.8
247.20518	2.4
255.12126	2.1
257.13797	88.5
257.18951	5.4
267.15839	3.9
275.20023	56.9
276.20334	4.2
285.16827	6.3
293.21082	16.7
307.02490	1.3
321.20526	4.8
331.22452	1.3
334.82193	1.9
339.21643	3.4
349.23663	39.6
350.23895	3.8
359.51456	1.4
367.20477	2.5
367.24725	30.4
439.28458	2.7
495.30789	1.6
513.32019	37.6
531.33093	56.3
532.33533	5.2
549.34167	39.3
550.34045	2.7
746.31586	3.6
747.34747	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	746.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01858	7.7
55.05259	2.2
55.05505	31.6
57.03428	18.1
57.07055	2.1
61.89530	2.2
67.05499	51.2
69.03417	6.9
69.07058	21.1
71.04989	6.1
75.57130	2.0
79.05485	41.3
81.03409	57.7
81.03883	3.2
81.07047	38.9
83.04973	13.7
83.08608	29.0
85.02888	22.7
91.05469	100.0
93.07034	55.7
95.04961	63.5
95.08599	39.0
97.02885	3.1
97.06529	9.7
97.10159	9.0
99.04439	5.2
103.05412	1.9
105.03378	2.6
105.04494	3.1
105.07019	34.7
107.04949	15.8
107.08586	33.6
109.06505	9.0
109.10145	27.9
111.04425	6.9
111.08074	7.8
117.07008	15.2
119.08569	95.0
120.08847	2.4
121.06475	11.2
121.10115	20.5
123.08053	9.0
125.09618	8.0
129.06992	8.7
131.08565	15.3
133.06459	3.0
133.10112	17.7
135.08012	7.6
135.11656	7.1
137.09599	45.8
143.08530	4.1
145.10118	22.5
147.08009	12.3
147.11583	11.2
149.09608	24.5
151.11122	3.1
155.08510	3.4
157.10112	4.9
159.11650	11.9
161.09654	2.2
163.11157	28.2
165.09100	34.7
165.12724	3.4
169.10114	3.5
171.11633	3.2
173.13260	3.0
175.11119	3.5
177.12688	3.4
181.12189	2.0
183.10162	15.0
183.11566	3.3
187.11163	2.9
189.11221	8.6
199.09598	2.5
205.12137	5.1
223.13263	35.7
227.12784	4.6
239.12715	41.8
239.17923	6.5
241.14267	3.7
257.13800	88.1
257.18896	10.5
258.13998	2.6
267.15604	2.4
275.20013	55.4
285.16916	2.2
291.19595	3.3
293.21014	37.0
321.20557	3.7
349.23724	30.6
350.24002	3.3
367.24744	41.9
368.25125	3.0
513.32281	18.2
514.32111	2.4
531.33136	47.1
532.33557	3.9
549.26617	3.0
549.34222	53.1
722.97314	2.4
747.35535	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	746.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
55.01869	5.1
55.05506	22.7
57.03428	16.4
57.07064	4.7
58.86001	1.4
59.23158	1.9
61.02912	4.1
65.03935	3.8
67.05501	64.7
69.03421	3.8
69.07062	13.7
71.01347	11.4
71.04987	3.4
71.44122	1.8
73.02899	2.9
79.05489	60.9
81.03403	3.4
81.07047	52.7
83.04963	10.8
83.08610	12.3
85.02893	7.5
85.06542	4.3
91.05467	33.1
93.06437	3.4
93.07035	62.0
95.04950	12.8
95.08589	26.1
97.02867	2.7
97.06507	5.0
97.10175	11.7
98.07474	1.6
99.04450	2.0
99.08066	5.2
105.04558	2.8
105.07024	26.9
107.04944	2.9
107.08585	26.8
107.11250	1.6
109.06506	4.9
109.10146	18.3
111.08100	3.3
113.09603	1.4
113.35402	1.9
117.06998	11.3
119.08564	17.7
121.10126	22.4
123.08037	3.5
123.11707	5.2
125.09632	8.1
129.06958	3.0
131.08562	16.0
133.10107	13.2
135.08031	6.3
135.11676	23.6
137.09570	3.5
143.08542	2.0
145.06500	2.3
145.10094	10.7
147.11627	8.3
149.02347	2.0
149.09624	4.6
149.13245	10.1
151.11162	3.4
153.09125	4.1
157.10062	2.6
159.11681	7.9
161.09567	3.5
161.13242	2.8
163.11208	4.8
173.13232	5.9
179.10551	2.4
187.14755	2.1
189.11215	2.2
205.19473	2.9
215.17938	23.6
225.11180	8.6
227.12827	4.1
233.18988	27.5
255.15825	3.2
283.15549	3.9
299.14880	100.0
300.15155	4.2
307.22638	84.4
308.23047	4.6
449.28998	3.5
513.31561	2.9
515.33124	2.6
531.33044	41.5
532.33057	4.3
549.34314	2.2
746.39191	15.2
747.38660	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	746.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01862	12.3
55.05502	44.7
57.03423	16.2
59.04987	2.9
61.02899	3.4
65.03926	3.3
67.05158	5.1
67.05494	82.1
69.03409	7.3
69.07051	31.3
71.04963	10.7
71.12516	2.8
71.43250	3.9
79.05479	73.7
80.05808	3.4
81.03406	66.1
81.07045	100.0
82.07366	3.7
83.04962	19.1
83.08596	22.3
85.02886	7.5
85.06493	4.4
91.05453	57.1
93.07021	74.8
95.04954	42.1
95.08594	52.5
97.06494	11.8
97.10147	25.3
98.23370	3.4
99.08063	5.0
103.05473	3.8
105.07024	37.9
106.54409	3.2
107.04932	27.2
107.08575	45.5
109.06488	10.6
109.10117	26.8
111.04411	7.5
111.08062	8.3
115.05434	4.5
117.07011	22.7
119.08572	40.6
121.06525	15.1
121.10125	35.3
122.10444	4.6
123.08040	24.4
123.11652	9.4
125.09605	16.8
129.06946	6.8
131.08540	29.8
133.06470	4.7
133.10126	15.0
135.08018	13.3
135.11659	23.2
137.09579	12.9
141.06946	3.1
142.08604	3.1
143.08612	4.9
145.06448	3.5
145.10098	26.1
147.08003	13.4
147.11665	11.8
149.09612	21.9
149.13211	8.1
153.09077	6.9
157.10104	7.2
159.11667	7.7
161.09564	11.8
161.13231	3.5
163.11134	28.2
165.09059	15.5
165.12695	5.0
167.10666	5.5
171.11620	4.7
173.09581	3.4
173.13226	7.8
175.11156	6.3
177.12759	5.7
181.12164	5.8
184.07373	7.9
189.11163	13.6
189.12683	3.9
191.10551	4.7
199.08865	9.1
223.13171	9.9
227.12738	22.2
239.12712	29.3
243.21078	4.0
255.17372	6.2
257.18979	6.6
261.22070	8.1
266.81149	3.0
271.15356	8.7
273.18427	39.3
275.19949	20.5
277.21887	3.4
283.15393	6.6
287.14804	5.3
288.15100	3.5
291.19513	58.7
293.21152	32.7
298.05103	3.2
309.20654	4.4
311.17636	6.1
335.25720	46.1
337.26221	6.7
347.22171	10.2
349.23560	7.4
365.23267	28.2
383.24231	16.2
385.21252	23.0
394.21747	3.2
403.22543	17.4
425.30389	4.9
499.33954	22.4
514.11047	3.4
517.35059	15.4
531.36658	7.3
545.95428	3.5
549.37292	5.2
575.62439	3.4
624.93304	3.7
639.41968	4.2
657.41827	3.7
675.39600	16.2
693.40588	8.3
711.42096	5.8
746.41602	12.1
747.40460	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	746.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.9
54.69131	1.0
55.01854	4.6
55.05500	13.9
57.02571	1.1
57.03430	14.9
57.07059	1.5
65.03918	2.8
67.05495	47.2
69.03410	3.3
69.07059	15.7
69.70898	3.6
71.04979	5.1
71.08616	2.2
71.16617	1.1
72.24763	1.1
79.05486	34.6
81.03407	100.0
81.07047	48.7
83.04962	7.6
83.08616	8.2
85.02888	1.9
85.06522	2.6
91.05469	37.2
93.07033	37.3
95.04964	17.1
95.08008	2.4
95.08595	33.8
95.09203	1.7
97.02876	2.4
97.06513	6.8
97.10171	5.0
98.22671	2.1
99.08102	2.7
105.04556	1.6
105.07008	17.0
107.04946	6.7
107.08579	20.2
109.02809	1.1
109.06525	6.3
109.10133	16.7
111.04353	1.5
111.08054	2.6
117.07005	10.5
119.08570	29.0
121.06483	8.4
121.10134	14.2
123.04421	2.1
123.08060	5.8
123.11665	7.5
125.09624	5.1
128.06213	1.7
129.07007	3.8
131.08557	13.4
133.06454	1.7
133.10109	10.0
135.08054	5.9
135.11670	9.3
137.09593	16.7
139.11165	2.3
143.07024	1.3
143.08546	3.9
145.06488	1.2
145.10106	9.5
147.08047	7.9
147.11659	6.3
149.09593	3.7
149.13232	3.7
151.11137	1.8
153.09122	1.7
155.08565	1.8
157.10107	1.9
159.11668	5.4
161.08281	1.2
161.09612	3.2
161.13246	4.8
163.07455	2.3
163.11189	6.6
163.14813	3.5
164.87936	1.1
165.09108	20.3
167.10626	2.4
169.10095	2.3
171.11681	4.6
173.13229	4.8
177.09106	1.9
177.12715	1.4
179.10699	1.6
183.11708	1.5
185.13148	2.3
187.11287	1.4
187.14819	2.2
189.11211	2.4
199.09650	2.0
199.14868	1.2
201.16196	1.2
211.14864	1.4
227.12743	2.9
227.20039	3.1
239.12744	64.4
240.12961	1.7
243.21042	3.2
255.17427	1.4
261.22110	9.7
271.12891	1.2
271.15344	7.2
273.18484	3.8
275.19971	4.4
285.22232	1.5
291.19589	7.0
293.21054	10.5
301.25125	1.5
317.24542	1.7
335.25757	48.8
336.26028	2.1
349.23148	1.3
367.24857	3.6
383.19562	3.4
385.25583	1.6
389.23282	1.7
389.28488	1.9
393.22559	1.5
401.20651	3.9
401.26453	2.1
407.24493	2.0
407.29117	5.4
418.07956	1.2
421.25226	1.2
425.30270	5.3
443.31702	2.3
481.32730	2.7
482.97635	1.5
499.34094	35.8
500.34369	2.8
517.35260	25.0
518.35309	1.7
531.36230	3.5
549.37561	2.4
675.40564	1.6
693.40918	3.1
746.41217	3.8
747.42017	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	746.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01866	3.3
55.05503	22.7
55.07146	1.6
57.03432	18.5
57.07067	2.6
57.89079	1.6
65.03948	2.4
67.05492	59.4
69.03410	3.6
69.07066	12.5
71.04990	4.0
79.05482	63.9
81.03405	85.5
81.07046	55.3
83.04959	4.1
83.08595	20.1
85.02900	2.8
85.06534	2.8
89.15635	1.5
91.05467	37.0
93.07032	59.5
95.04952	29.6
95.08591	33.4
95.09134	3.0
97.02888	3.2
97.06524	6.0
97.10152	4.1
98.22588	4.2
99.08125	2.2
105.04509	2.5
105.07012	26.0
107.04970	9.3
107.08583	26.2
109.06519	6.0
109.10127	19.0
111.04423	1.7
111.08044	9.3
115.05452	2.0
117.06989	10.6
119.08555	24.5
121.06535	2.1
121.10120	27.4
123.08076	5.0
123.11703	5.9
124.86730	1.8
125.09602	3.3
129.07013	8.7
131.08553	23.6
133.06465	2.2
133.10104	20.9
135.11690	25.4
137.09633	2.8
142.07755	2.0
143.08514	4.4
145.10098	13.1
147.08064	4.4
147.11688	14.2
149.09578	6.0
149.13217	11.9
151.11124	2.5
157.10126	13.1
159.11678	10.6
161.13239	4.3
163.11156	4.3
171.11623	3.7
173.13301	6.6
175.11162	8.3
175.14838	1.6
185.13254	2.6
187.11137	2.3
189.11189	2.5
193.12218	20.3
197.13228	2.3
202.35912	2.1
215.17924	23.1
227.12799	6.6
233.18973	26.6
235.13345	2.5
249.14864	4.5
255.20982	2.3
257.15009	2.0
267.15857	100.0
268.16290	3.6
273.14755	2.6
273.22061	4.9
307.22632	88.9
308.22971	3.1
309.16757	3.1
407.29144	4.3
425.30444	4.3
433.25366	2.3
443.31497	4.5
499.34134	55.3
499.41541	2.7
500.34262	3.6
517.35132	34.9
518.35614	3.6
541.35376	4.2
625.37390	2.7
746.41553	2.6
747.43475	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
53.64415	1.6
55.01859	3.0
55.05504	20.7
55.89157	1.6
57.03428	22.6
57.07062	2.3
61.91697	1.6
65.03935	3.8
67.05492	59.8
68.07204	1.8
69.03423	4.8
69.07057	12.0
71.04990	5.6
79.05482	60.8
81.03405	82.1
81.07044	54.0
83.04967	5.6
83.08611	19.8
83.70995	1.7
85.06530	3.4
91.05466	41.8
93.07030	64.2
95.04960	29.3
95.06419	1.5
95.08590	33.1
97.02898	1.9
97.06520	5.9
97.10153	5.2
99.08094	2.2
105.04515	2.7
105.07009	29.3
107.04948	5.6
107.08575	26.0
109.06555	3.7
109.10141	18.4
111.08087	5.9
117.06992	9.3
119.08556	23.1
121.06499	4.8
121.10130	30.0
123.04384	1.9
123.08073	4.4
123.11691	5.0
125.09605	5.8
129.07005	11.1
131.08542	20.8
133.06468	3.4
133.10109	17.4
135.08075	4.6
135.11687	25.9
137.09576	3.8
141.11234	1.8
142.07784	2.4
143.08580	2.5
145.10115	13.7
147.08000	2.5
147.11664	15.8
149.09616	5.4
149.13249	6.8
151.11151	2.3
157.10107	11.3
159.11685	10.5
161.13248	5.0
163.11163	3.7
165.12773	2.1
171.11702	3.6
173.11943	1.8
173.13295	7.7
175.11137	8.1
175.14763	2.3
177.12811	1.6
183.11682	2.4
187.14807	3.3
189.11221	3.8
189.16277	2.5
193.12225	19.9
199.14767	2.2
211.13161	2.6
211.43637	1.9
215.17903	26.7
227.12831	6.5
233.18956	26.4
249.14685	2.3
255.21069	2.2
261.18616	2.1
267.15869	100.0
268.16183	2.8
273.22125	3.6
275.19955	2.2
289.73965	2.1
307.22626	89.5
308.23123	3.8
309.16864	3.3
384.52847	1.8
407.29330	4.8
425.30460	8.2
443.31137	2.9
481.33368	2.6
499.34045	51.8
500.34848	3.8
517.35175	39.7
518.35168	3.1
541.35065	3.8
641.93170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
55.05494	1.7
57.03424	2.0
57.07070	2.6
61.02916	6.5
64.34092	1.0
67.05489	6.5
69.03414	3.5
69.07053	2.7
69.88129	2.2
69.88459	1.0
71.04941	1.1
71.08620	2.0
73.02901	3.7
79.05479	4.5
81.03395	4.5
81.07051	6.3
83.08598	1.8
85.02876	5.9
85.10143	1.2
87.04457	1.0
89.06020	4.7
91.03951	3.9
91.05474	3.2
93.07035	3.3
95.04944	1.9
95.08592	3.9
97.02891	4.3
98.23394	1.0
99.04447	1.3
101.02349	1.7
102.32322	0.7
105.07025	2.4
107.08574	2.5
107.21870	0.9
109.10161	2.8
111.85416	0.8
117.07023	0.9
119.08595	1.3
121.10111	1.8
121.72006	0.8
127.03903	1.7
131.08565	2.0
133.08543	3.9
133.10100	1.8
147.11690	1.4
149.09581	1.3
184.47610	0.8
193.12221	1.5
211.13174	0.9
230.12361	1.0
243.08409	1.7
251.12604	4.9
469.20392	6.1
519.28986	7.1
521.29877	1.1
747.42584	100.0
748.42828	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	747.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01873	0.4
55.05510	1.6
57.03432	2.1
61.02917	5.8
65.03941	0.4
67.05501	5.5
69.03421	3.9
69.07069	1.3
69.09801	2.8
71.01336	0.4
71.08606	0.4
73.02908	4.3
74.26280	0.4
76.55242	0.4
79.05482	4.1
81.03411	4.2
81.07050	4.9
83.08630	0.9
85.02895	7.3
85.03403	0.5
85.76828	0.4
87.04489	0.7
89.06056	0.8
91.03953	3.1
91.05462	3.5
93.07027	3.7
94.55282	0.4
95.04975	1.8
95.07548	0.3
95.08584	3.0
96.88890	0.4
97.02879	5.4
97.03378	0.5
99.04465	1.3
101.02361	2.5
104.97876	0.4
105.07022	2.6
107.08554	2.2
109.02909	1.0
109.10178	1.2
111.08104	1.0
115.03950	0.5
117.07103	0.4
119.08585	1.7
121.10171	1.4
127.03933	1.3
129.07008	0.5
131.08615	1.3
133.08624	0.5
133.10158	1.6
135.11732	0.6
145.04984	0.6
145.10121	0.5
147.11691	1.4
157.10172	0.9
185.04175	0.5
185.62210	0.4
193.12292	1.1
211.13443	0.6
243.06352	0.4
243.08340	2.3
251.12425	1.0
277.14178	0.4
325.76465	0.4
349.19846	0.7
405.22421	0.5
469.20444	8.4
483.99756	0.6
491.25839	0.5
519.29236	4.3
747.42737	100.0
748.42987	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	747.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01874	0.5
55.05505	1.9
56.11500	0.2
57.03429	2.6
57.07052	0.3
61.02920	6.6
61.03237	0.3
65.03925	0.2
67.05496	5.3
69.03419	4.4
69.07069	1.9
71.01356	0.3
71.04990	0.7
71.13197	0.3
73.02906	4.0
79.05480	4.4
81.03410	3.3
81.07047	5.3
81.07489	0.4
83.01363	0.3
83.08610	1.2
83.96178	0.2
85.02895	6.8
85.06540	0.3
85.58196	0.3
87.04456	0.4
91.03938	3.5
91.05463	3.1
93.07037	4.8
95.04962	1.5
95.08593	4.1
97.02882	5.3
97.03465	0.4
97.10133	0.4
99.04462	1.0
101.02377	2.0
102.90392	0.3
103.03956	0.4
105.04536	0.3
105.07016	2.4
107.04977	0.3
107.08584	2.3
109.02903	0.7
109.06531	0.4
109.10129	1.5
111.08103	0.4
115.03952	0.4
117.07039	0.8
119.08556	1.5
121.10136	1.8
123.08051	0.4
123.11690	0.5
127.03892	1.3
129.05516	0.3
129.06995	0.3
131.08546	1.2
133.10158	1.0
135.11728	0.9
145.04974	0.3
145.10127	0.5
147.11745	1.1
149.09721	0.3
149.13243	0.3
157.10120	0.6
159.11696	0.3
171.77701	0.3
175.11241	0.3
185.04292	0.5
193.12282	0.7
203.05298	0.4
212.07753	0.2
243.08350	2.1
251.12624	0.8
335.25967	0.9
347.18344	0.3
403.21143	0.4
469.20340	2.7
494.47278	0.2
497.31070	0.3
511.28665	0.3
519.29224	7.3
520.29791	0.5
678.31451	0.3
711.40948	0.7
747.42798	100.0
748.43127	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
55.05510	2.6
56.43629	0.8
57.03443	2.0
57.07069	1.5
57.11956	0.7
61.02916	0.9
67.05495	5.5
69.07080	3.1
71.20184	0.8
79.01598	7.0
79.01929	0.6
79.05476	5.9
81.03394	1.4
81.07038	5.9
83.08636	1.3
91.05491	3.2
93.07016	5.3
94.07445	0.8
95.04974	1.9
95.08616	2.6
97.02886	0.8
97.06534	1.4
97.10188	2.4
105.07050	2.5
107.08598	2.6
109.06532	1.5
109.10194	1.3
119.08604	1.4
121.02661	4.2
121.10168	2.3
123.08051	1.1
125.05997	0.7
125.09667	0.9
129.05486	1.7
131.08592	1.3
133.10130	1.8
135.04205	1.5
135.11682	0.9
137.09560	1.1
138.02847	4.8
139.03647	8.3
139.04521	0.8
147.11713	0.9
147.68594	0.8
153.05293	1.5
163.07373	1.2
164.08090	2.0
167.06841	1.1
171.10208	0.8
189.09093	0.7
198.05054	3.3
203.10617	1.6
205.08388	1.0
206.09244	1.5
207.09978	0.9
209.11681	1.9
211.05756	5.5
221.11653	1.4
222.12259	0.9
223.13016	6.4
225.06955	1.0
251.12698	0.9
256.16602	0.9
265.14230	0.9
267.12015	1.6
275.20056	1.0
279.12021	4.1
281.13681	1.0
282.14493	2.2
283.15634	0.8
291.19427	0.8
293.13544	0.8
295.15323	1.6
296.22501	0.8
297.13141	1.2
304.20084	1.4
307.22614	0.9
323.14624	4.4
337.16278	1.8
347.18295	0.8
349.19894	17.3
349.23907	0.9
350.20801	0.8
351.21512	1.0
363.96860	0.8
365.19482	2.6
378.16220	4.9
395.16882	3.0
405.22400	15.7
405.27100	0.9
407.24017	4.7
421.21988	1.7
437.04385	0.9
437.17487	0.9
446.22949	4.0
447.23581	1.7
449.24945	1.0
462.25992	1.3
464.23929	1.2
477.24582	10.5
479.26492	5.2
480.26715	1.1
491.26282	2.6
493.24881	1.1
505.27930	2.3
519.29791	1.6
530.32526	1.4
547.32489	2.2
548.33521	1.8
549.26758	1.2
565.34320	1.1
577.33929	1.1
589.33423	9.0
631.34802	1.5
661.35645	3.3
729.41968	3.3
747.42657	100.0
748.43176	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	748.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01872	8.1
55.05505	2.6
57.03432	6.8
61.02924	7.1
67.05503	5.2
68.99786	2.2
69.03422	34.5
69.07059	2.7
70.06542	1.2
71.04984	7.8
71.42372	1.1
73.02904	7.5
75.40379	0.9
79.05480	4.4
81.03407	30.7
81.07049	12.5
83.01346	1.5
85.02895	100.0
87.00821	46.8
91.03923	1.5
91.05460	3.0
93.07043	7.8
95.04945	1.2
95.08598	11.1
97.02882	46.9
97.10157	3.6
98.03175	1.1
98.23430	2.2
99.04436	14.2
105.01856	60.4
105.07018	5.6
105.89180	1.1
106.02148	1.5
107.08586	6.2
108.04431	2.1
109.02861	45.7
109.10139	8.1
111.04384	1.5
117.01796	3.4
119.08554	6.3
121.10122	6.9
123.11690	7.2
127.03898	86.1
129.01830	4.1
131.08574	1.9
133.10106	5.1
135.11729	6.9
141.31813	1.1
145.04941	35.0
147.02876	3.3
147.11703	7.9
149.09584	1.2
149.13243	7.4
159.02852	17.8
159.11684	1.2
161.13266	12.3
163.14796	2.4
165.12682	1.2
173.13277	1.8
175.14818	12.6
187.14809	3.5
189.03938	3.0
193.15935	2.3
201.16382	2.9
213.03915	6.1
231.04953	30.7
232.05319	1.1
248.07613	1.3
249.06023	15.4
253.07076	2.2
255.21078	1.7
257.04062	1.1
257.22617	59.3
258.22946	3.3
275.23669	49.0
276.23944	1.9
285.22183	3.4
287.05484	2.2
303.23132	13.1
321.24164	9.6
341.24353	1.1
365.24600	1.4
383.25659	4.8
393.10254	1.3
443.28302	1.4
469.25891	1.9
487.26807	10.3
505.27887	8.7
533.27570	2.0
551.28528	14.1
748.37964	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	748.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01868	5.2
55.05506	50.7
57.03435	22.9
59.04985	2.9
61.02926	7.1
65.03939	5.7
67.05496	100.0
69.03439	3.5
69.07059	22.4
69.78307	9.4
71.04972	6.3
73.02900	3.4
77.05005	3.1
78.49784	3.0
79.05482	77.0
81.03410	6.4
81.07044	62.7
83.04972	10.6
83.08598	18.8
85.02891	15.8
85.06536	6.5
87.04449	5.4
91.05464	37.0
93.07030	76.1
95.04965	20.8
95.08594	42.7
97.02869	5.0
97.06538	5.8
97.10158	24.2
99.08054	3.2
105.07026	26.0
107.04942	3.7
107.08572	32.4
109.06503	6.0
109.10139	52.3
111.08075	4.7
117.07018	7.7
119.08553	16.9
121.10122	31.7
123.08068	5.7
123.11655	6.6
125.09618	21.1
129.06961	4.6
131.08583	16.2
133.10123	22.5
135.11665	26.4
137.09613	6.1
143.08659	4.5
143.10677	4.5
145.10126	16.7
147.11685	12.6
149.09613	7.8
149.13239	10.7
157.09984	5.2
159.11699	10.0
163.11186	8.2
171.11600	3.4
173.09656	3.3
173.11703	10.9
173.13159	6.4
183.11694	3.9
185.13345	3.2
187.14861	3.6
199.13240	9.3
209.11716	6.2
215.17896	18.5
227.12759	9.2
229.14293	38.7
233.18956	14.7
267.15897	3.2
301.16409	25.6
307.22629	89.8
449.32825	7.5
461.32349	13.1
515.33405	3.6
533.34180	14.2
551.27631	6.5
551.35388	7.5
748.38470	10.8
749.42438	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	748.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.01867	5.1
55.05504	38.5
57.03436	19.4
59.04992	5.0
60.82324	2.2
61.02924	5.3
65.03936	2.9
67.05495	100.0
69.03422	6.4
69.07059	12.4
69.61316	8.0
71.01332	2.4
71.04974	4.5
73.02906	3.9
73.30968	2.4
77.38124	2.6
79.05480	66.0
80.05833	3.8
81.03421	6.5
81.07047	59.0
81.07492	4.2
83.04966	7.9
83.08625	13.8
85.02886	17.4
85.06567	5.9
87.04459	6.4
91.03964	4.5
91.05466	32.5
92.52687	2.2
93.07027	53.2
93.07587	3.0
95.04958	12.9
95.08591	31.2
97.02889	6.9
97.06519	8.5
97.10153	16.9
98.97126	2.1
99.08102	3.5
105.04527	5.4
105.07016	19.5
107.04939	4.4
107.08576	28.3
109.10139	42.6
111.04434	3.2
111.08044	2.3
117.07014	7.0
119.08552	20.4
121.10138	32.2
123.08080	2.9
123.11684	6.0
125.09630	16.7
129.07047	4.2
131.08546	13.3
133.10092	13.2
135.08028	3.8
135.11671	20.1
137.09613	3.7
139.11185	3.1
143.08589	3.2
145.10059	13.3
147.11652	11.6
149.09579	3.6
149.13284	9.6
151.11098	2.5
154.10478	2.1
159.11685	10.3
161.13229	2.2
163.11176	5.1
169.10222	2.0
173.11732	12.7
173.13251	6.1
185.13326	2.2
189.11104	2.2
191.10666	2.2
195.22171	2.3
199.13258	8.3
213.16359	3.9
215.17972	15.6
227.12712	2.8
229.14285	40.1
233.19016	12.9
245.13878	2.4
267.15826	2.5
283.15356	2.8
301.16278	19.9
307.22617	70.8
308.23120	2.9
348.30908	2.1
449.32535	10.8
461.32483	16.0
464.56995	2.3
515.33545	3.8
533.34454	8.9
551.35333	2.4
748.39105	51.5
749.41461	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	748.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
54.27419	2.9
55.01858	7.9
55.05503	32.2
57.03424	20.1
57.07071	7.2
61.02914	10.3
65.03938	6.3
67.05496	100.0
69.03419	8.7
69.07057	27.6
69.20065	2.9
69.20367	18.8
71.04982	9.9
73.02911	8.6
77.09135	2.6
78.84936	2.5
79.05482	92.7
79.28603	3.8
81.03413	9.2
81.07043	84.5
83.04969	15.8
83.08602	14.2
85.02894	10.6
85.06536	8.3
91.03944	2.8
91.05467	62.5
93.07032	87.2
94.95012	2.8
95.04956	16.3
95.08589	50.6
97.02873	12.3
97.06523	12.2
97.10144	10.2
98.22735	7.7
99.04484	3.3
99.08083	5.1
100.17242	3.0
105.04530	4.0
105.07018	35.1
107.04951	11.3
107.08577	38.5
109.06518	8.2
109.10149	30.8
111.04423	18.5
111.08048	6.1
115.05415	2.7
117.06979	19.4
119.08559	26.5
119.98711	2.9
120.78734	3.1
121.06499	5.8
121.10120	49.3
123.08049	7.8
123.11709	8.5
125.09612	9.7
129.07021	10.5
131.08553	25.2
133.10092	24.9
135.08063	5.8
135.11667	24.6
137.09564	6.3
139.11163	4.2
143.08603	5.6
145.10112	30.5
147.11671	13.8
149.09610	12.4
149.13248	10.1
151.11107	4.3
157.10170	4.5
159.11699	12.5
161.09715	2.8
161.13237	6.2
163.11172	10.4
169.10107	3.4
171.11650	10.4
173.09599	4.2
173.11719	5.1
173.13205	8.7
175.11205	3.3
176.85936	3.3
181.12195	5.6
185.13202	4.4
187.14845	4.5
191.10693	11.7
205.12141	3.3
209.11691	38.5
213.16391	5.2
215.18053	13.7
225.16444	3.3
227.12666	17.3
229.14357	7.6
231.17445	5.0
233.19000	11.9
241.14265	6.7
243.08354	3.5
257.18973	4.6
273.18445	4.7
275.19974	7.1
283.15372	19.0
287.19867	3.4
301.16501	35.7
305.21082	5.2
307.22604	70.2
316.60461	3.4
345.35791	3.3
349.23325	4.3
423.28717	5.1
441.30194	4.4
459.31073	6.5
473.32608	6.9
515.33832	35.3
533.34631	47.4
551.35547	9.3
748.39935	75.3
749.40552	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	749.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.0
55.20999	0.5
59.05008	0.9
61.02916	1.1
66.73450	0.6
67.01855	0.9
69.03413	4.6
69.10512	3.7
69.10857	0.8
69.21907	0.5
71.04990	1.5
81.03410	27.2
83.01329	0.7
84.81743	0.5
85.02896	3.5
96.52032	0.5
97.02882	26.4
98.23499	1.1
99.04436	5.0
103.03915	0.8
108.80264	0.5
109.02866	100.0
110.03178	1.3
121.02850	1.7
127.03900	78.9
128.04237	0.9
139.03894	10.4
145.04921	0.6
153.01837	2.3
157.04999	3.1
163.31866	0.5
167.92363	0.5
169.04947	47.9
185.05984	0.6
187.05995	5.0
211.06009	2.1
217.07069	4.8
229.07028	1.5
241.09775	1.0
253.09673	0.9
258.05194	0.7
265.09613	0.6
267.11334	1.3
269.22919	0.5
287.05463	74.7
288.05869	2.2
295.10699	1.0
331.10172	2.9
369.27432	0.6
406.17603	1.4
448.18610	3.2
464.18179	1.9
466.19614	1.0
503.11923	1.5
569.23718	0.7
586.27289	0.7
587.24915	4.1
749.35492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
57.03411	0.2
61.02924	0.6
69.03413	0.2
71.04976	0.3
81.03409	18.5
83.01331	0.2
85.02906	0.2
97.02883	10.2
99.04449	0.8
99.51606	0.1
109.02867	100.0
110.03188	1.0
127.03901	29.4
128.04262	0.4
139.03885	5.1
145.04988	0.2
161.94286	0.2
165.42856	0.2
169.04944	27.2
170.05263	0.5
211.05989	1.8
211.26804	0.2
217.43230	0.2
229.07005	0.3
287.05484	1.9
303.32239	0.2
331.10056	0.6
607.96558	0.2
617.14673	0.2
645.30005	0.2
748.32166	0.2
749.32916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01863	0.4
57.03433	0.5
61.02912	0.4
67.01842	1.6
68.99797	0.3
69.03416	12.0
71.04976	1.2
79.05460	0.4
81.03403	19.8
82.03727	0.3
83.01340	0.4
83.04969	0.2
85.02890	7.3
97.02875	27.9
98.03193	0.3
99.04440	3.6
100.35342	0.2
103.03941	1.0
105.03394	0.3
109.02859	37.8
109.50333	0.2
110.03210	0.5
111.00829	0.4
115.03906	0.5
118.97843	0.2
121.02849	2.2
125.83832	0.2
127.03895	20.7
128.04262	0.2
133.02824	0.4
137.02280	0.6
139.03871	8.6
145.04910	1.0
147.04401	0.5
153.01788	2.7
157.04944	3.7
165.01868	1.2
169.04938	4.1
183.02805	0.5
185.05913	0.4
187.05981	11.8
199.06024	0.6
203.05090	0.2
213.05475	0.9
217.07042	6.1
227.47913	0.2
229.04909	0.3
229.07030	2.1
231.06482	0.6
241.04942	0.7
247.08005	0.5
258.05167	0.9
259.06100	0.3
269.04245	0.3
278.06958	0.2
285.03577	0.2
287.05441	100.0
288.05783	3.4
299.05453	0.3
329.06201	0.3
409.50970	0.2
503.11826	1.8
508.35684	0.2
749.34253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75191	0.4
53.03938	2.7
53.70001	0.4
55.01864	0.7
57.03426	1.3
61.02920	2.7
67.05486	0.5
68.99776	0.5
69.03420	29.1
69.07069	0.4
71.04987	2.6
76.04489	0.4
79.44016	0.4
81.03408	11.6
81.07053	0.6
83.01331	1.5
85.02894	25.6
91.05468	0.6
97.02880	54.6
98.03219	0.5
99.04443	8.6
105.03340	0.8
105.07045	0.5
107.08511	0.6
109.02865	59.7
110.03233	0.4
111.00787	0.9
115.03925	0.9
121.02859	2.4
127.03897	31.9
137.02260	0.7
139.03885	15.6
145.04933	11.8
147.04414	1.0
153.01796	2.9
157.04936	3.8
165.01831	1.6
169.04930	6.2
183.02843	0.4
187.05983	6.2
199.06024	1.6
205.07039	8.1
213.05428	0.6
231.06549	0.6
238.40253	0.4
241.04845	0.7
241.53183	0.4
258.05292	0.7
259.08160	1.0
287.05457	100.0
288.05780	2.4
350.12881	0.4
454.85684	0.4
493.60641	0.4
545.12714	0.8
748.37982	0.6
749.36908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
53.45015	0.3
55.01871	0.7
55.05501	1.2
57.03420	2.1
61.02924	4.7
67.05487	3.2
69.03414	2.6
69.07058	1.8
71.01336	0.5
73.02905	2.5
79.05478	3.7
81.03406	2.4
81.07050	6.2
81.07499	0.5
83.04971	0.6
83.08592	0.9
84.53163	0.4
85.02889	4.8
87.04491	0.6
91.03930	2.3
91.05463	4.1
91.63857	0.3
93.07033	3.9
95.04962	1.1
95.08594	3.3
97.02882	4.3
97.06535	0.5
98.23499	0.8
99.04460	1.1
101.01794	0.4
101.02333	2.1
104.09177	0.4
105.07037	1.5
107.04953	0.8
107.08617	2.0
109.02201	0.5
109.02889	0.9
109.06487	1.7
109.10178	1.1
115.03953	0.5
117.07015	1.7
119.08566	2.7
121.06512	0.5
121.10143	1.5
123.08029	0.8
125.09566	0.5
127.03925	1.5
131.08603	1.1
133.10143	0.7
135.08066	1.3
135.11705	0.7
137.09644	1.2
145.04987	0.4
145.10153	1.0
147.08044	0.5
149.09601	1.0
163.07545	0.3
163.11189	1.7
177.05469	0.6
185.04156	0.7
209.11723	0.4
221.07826	0.7
243.08345	3.5
279.29736	0.4
305.17172	2.1
361.20059	0.7
395.16690	0.7
397.18289	0.4
439.15854	1.3
453.17346	0.5
467.18781	6.4
469.19690	0.4
523.25128	6.9
551.28333	1.1
552.36041	0.5
587.32513	0.4
621.28790	0.9
679.29889	0.4
749.37006	100.0
750.37341	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	749.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01859	1.0
55.05303	0.3
55.05509	2.9
57.03422	1.8
61.02921	4.1
67.05167	0.4
67.05480	2.2
69.03415	2.9
69.07060	1.5
71.01347	0.6
71.04992	0.6
73.02504	0.5
73.02908	3.8
79.05499	3.3
81.03410	2.5
81.07034	2.4
83.04974	0.8
83.08617	2.8
85.02898	4.4
87.04446	0.5
91.03959	1.9
91.05470	4.1
93.07044	3.5
95.04971	1.5
95.08622	1.3
97.02889	4.3
98.23405	1.4
99.04468	1.2
101.02400	1.8
105.07040	1.7
107.04979	0.9
107.08569	2.4
109.02898	1.2
109.06546	1.0
109.10222	0.7
111.04443	0.5
111.08089	0.8
117.07025	2.5
119.08562	1.2
120.70639	0.4
121.06514	0.8
121.10143	1.1
123.08070	0.6
125.09610	0.6
127.03934	1.4
131.08591	1.3
133.10123	0.6
135.07201	0.5
135.08034	2.6
135.11693	0.8
139.11201	0.5
145.10121	1.5
149.09642	1.0
157.36980	0.5
163.11197	1.7
168.90512	0.4
192.02962	0.9
198.25867	0.4
209.11884	0.5
219.17654	0.4
243.08270	2.9
249.11028	0.5
280.56830	0.6
283.15195	0.4
305.17294	1.2
333.20248	0.5
361.20233	0.7
419.02841	0.6
420.03729	0.9
439.15588	2.5
460.38889	0.5
467.18823	4.0
523.25195	6.2
524.25397	0.6
551.28180	1.4
724.55780	0.4
749.37042	100.0
750.37311	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	749.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05499	1.5
57.03429	1.5
60.73746	0.6
61.02920	4.1
67.05494	2.7
69.03419	2.5
69.07065	1.2
71.04971	1.0
71.44088	0.8
73.02905	3.1
79.05481	4.2
81.03408	1.4
81.07040	5.5
85.02904	4.1
91.03940	1.9
91.05460	5.0
92.77866	0.7
93.07018	2.6
95.04977	1.1
95.08595	2.1
95.68952	0.6
97.02879	4.4
99.04462	1.0
101.02384	1.9
105.07018	1.5
107.04948	0.8
107.08581	2.8
109.02870	0.7
109.06496	1.2
109.10152	0.8
110.35579	0.6
115.05438	0.7
117.07031	2.9
119.08580	1.5
121.10148	0.7
127.03945	1.0
133.10114	0.8
133.30898	0.7
135.08017	4.9
145.10121	1.0
147.11726	0.9
177.05476	1.9
178.05783	0.9
243.08434	2.7
255.12314	1.1
257.67059	0.6
266.77103	0.7
325.57639	0.8
333.20352	2.4
411.16745	0.9
439.15738	6.8
523.25751	1.0
551.28168	2.7
731.36023	1.2
749.36981	100.0
750.37329	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	749.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
55.05512	2.5
55.85954	0.5
57.03431	1.0
61.02903	0.8
67.05489	3.6
69.03446	1.0
69.07062	1.6
73.02925	0.9
74.78761	0.6
77.45395	0.4
79.05481	3.0
81.03413	1.1
81.07047	3.7
83.08601	1.0
85.02891	1.4
86.49905	0.5
91.03997	0.6
91.05479	2.3
93.07040	2.0
95.04935	1.3
95.08599	1.5
97.10211	0.8
99.08111	0.6
105.04486	0.6
105.07044	2.0
105.16518	0.6
107.04964	1.0
107.08589	2.0
109.10130	1.4
119.08574	1.9
121.10154	1.3
123.08046	1.0
125.09541	0.7
127.09221	0.5
133.10155	0.8
145.10158	1.1
147.08049	0.8
234.60701	0.5
243.20761	0.6
257.55832	0.5
290.95340	0.5
319.27887	0.6
331.18726	2.7
349.19717	5.4
367.16357	1.4
387.21320	1.2
405.22525	4.3
423.19077	1.1
443.26450	0.6
713.42023	3.0
714.42444	0.7
749.39935	100.0
750.40576	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	749.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01874	1.2
55.05505	2.7
57.03431	2.0
61.02914	3.7
62.25832	0.4
67.05495	4.2
69.03422	3.2
69.07075	1.5
71.01350	0.5
71.04977	0.6
73.02920	3.3
77.51873	0.3
79.05486	4.3
81.03003	0.3
81.03416	1.6
81.07066	3.0
83.04981	1.5
83.08618	1.6
85.02898	4.2
85.06534	0.5
86.60278	0.3
91.03951	2.0
91.05478	2.8
93.07033	4.5
95.04949	2.3
95.08604	1.5
97.02884	3.5
97.06540	1.0
97.10159	1.0
99.04456	1.2
101.02372	1.8
105.07023	2.0
105.12988	0.4
107.04983	0.7
107.08575	4.0
108.58391	0.4
109.02876	0.8
109.06521	0.8
109.10162	1.2
111.04478	0.7
111.08109	0.5
115.03947	0.4
115.09201	0.4
117.07027	0.8
119.08600	1.1
121.06519	0.8
121.10166	1.3
125.09617	0.7
127.03918	1.1
129.05534	0.4
129.50150	0.4
131.08569	0.8
133.10138	0.9
135.11665	3.9
145.04936	0.3
145.10144	1.7
147.11705	0.6
149.09657	1.1
159.11716	0.5
163.11206	1.6
181.12160	0.4
185.04242	0.6
192.76236	0.4
221.11481	0.9
243.08257	2.4
275.20181	0.5
277.14224	0.6
333.20325	1.9
335.14941	0.4
378.60880	0.4
385.35184	0.4
389.22928	0.7
439.19333	10.1
440.19913	0.5
446.44730	0.4
551.28156	6.9
703.32953	1.7
712.08447	0.4
717.89911	0.4
749.40607	100.0
750.40930	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	749.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.92844	0.4
55.01873	0.5
55.05502	2.0
57.03433	1.6
61.02919	3.7
67.05495	5.4
69.03405	2.1
69.07053	2.7
71.04970	0.7
73.02908	2.8
79.05485	5.2
81.03415	1.8
81.07050	6.4
83.04966	0.8
83.08601	1.1
85.02893	3.7
85.06518	0.6
87.04482	0.5
91.03951	1.6
91.05470	2.9
93.07039	4.7
95.04958	0.9
95.08614	1.8
97.02868	3.8
97.06531	1.7
97.10172	0.9
99.04465	0.7
101.02390	1.4
105.06998	2.2
107.04942	0.7
107.08562	3.3
107.36264	0.5
109.02860	0.6
109.06513	1.1
109.10151	1.1
111.08042	0.6
117.07057	0.9
119.08582	1.2
121.06485	0.5
121.10151	1.7
123.11708	0.8
127.03896	1.3
131.08572	1.0
133.10133	1.5
135.07962	0.5
135.11673	3.6
137.09590	0.6
142.40691	0.5
143.08568	0.5
145.10132	1.5
147.11653	1.3
157.10146	0.5
162.76202	0.4
163.11203	0.7
166.06573	0.4
175.11214	0.5
181.12257	0.8
209.11543	0.4
211.18987	0.5
221.11377	1.0
243.08411	2.8
333.20517	2.3
389.22769	0.9
439.19327	9.2
511.21237	0.5
551.28143	5.6
621.32837	0.9
749.40686	100.0
750.41107	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	749.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01849	1.0
55.05505	1.8
57.03424	2.3
61.02920	7.4
67.05495	4.2
67.30947	0.4
68.41607	0.4
69.03419	3.8
69.07041	1.0
71.01348	0.6
71.04993	0.7
73.02907	4.4
79.05482	6.3
80.84677	0.4
81.03410	2.4
81.07052	4.4
83.04988	1.0
83.08585	0.4
85.02895	6.0
87.04436	0.6
91.03937	3.0
91.05466	3.0
93.07037	6.2
95.04957	1.6
95.08589	3.5
97.02885	6.0
97.67421	0.4
99.04454	0.9
99.33295	0.4
101.02359	2.2
103.03893	0.5
105.04504	0.5
105.07023	1.4
107.04964	0.5
107.08575	2.2
109.02817	0.9
109.10159	1.7
111.04432	0.9
111.08097	0.4
117.07034	0.8
119.08572	1.4
121.06464	0.5
121.10123	3.0
123.08080	0.6
127.03923	1.4
131.08583	0.8
133.10120	0.8
135.11736	1.9
135.91022	0.4
136.36658	0.4
139.62984	0.4
145.10121	1.5
147.11696	0.5
159.11691	0.6
163.11226	1.2
173.09570	0.4
185.04149	1.1
186.83601	0.4
203.05289	0.5
209.11731	0.4
223.13264	0.8
243.08441	2.1
281.13553	6.8
281.16455	0.6
299.75076	0.4
307.22879	0.6
337.16409	0.8
341.12009	0.4
401.87009	0.4
491.26141	7.9
499.21466	4.3
654.59735	0.4
749.40619	100.0
750.41095	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	749.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01861	1.2
55.05500	4.8
57.03421	4.2
61.02916	4.3
65.03910	0.6
67.05492	12.3
68.05815	0.6
69.03413	3.1
69.07053	2.4
71.01347	0.9
71.04987	0.9
73.02893	2.8
78.90317	0.4
79.05476	9.2
80.05824	1.0
81.03406	2.3
81.07038	7.7
82.07362	1.2
83.04953	1.6
83.08598	2.3
85.02891	3.5
85.06534	0.5
87.04469	0.8
91.03921	2.4
91.05464	5.5
93.07022	8.4
94.07359	1.1
95.04958	2.9
95.08581	5.1
97.02872	3.1
97.06514	1.0
97.10156	1.3
98.22674	1.1
99.04417	0.8
99.08058	0.5
101.02364	1.5
102.18615	0.5
105.04511	1.0
105.07014	3.5
106.07339	0.6
107.04951	1.0
107.08572	4.6
107.92113	0.4
108.08884	0.6
109.06512	1.1
109.10133	4.8
110.10435	0.9
111.08065	0.8
111.43663	0.4
117.07005	1.8
119.08533	3.6
119.84985	0.4
120.08893	0.5
121.10132	3.2
122.10462	1.0
123.08006	0.6
123.11701	0.5
123.75380	0.4
125.09632	2.1
127.03905	1.2
129.07010	0.5
131.08536	1.8
133.06564	0.5
133.10095	2.6
135.08031	1.6
135.11652	4.9
136.12001	0.7
139.11102	0.5
141.59993	0.5
145.10083	1.8
147.11711	1.2
149.09601	1.3
149.13260	0.7
151.11092	0.5
159.11699	1.0
163.11130	1.6
171.11595	0.4
173.11821	0.8
173.13242	1.0
181.12277	0.9
185.04256	0.6
185.41603	0.5
185.43248	0.5
199.13249	0.4
203.05341	0.4
221.11501	0.8
227.12804	1.9
228.13194	0.6
229.14308	2.9
230.14641	0.8
233.18973	0.5
234.19325	0.6
243.08311	2.2
251.11978	0.5
255.15846	1.7
256.16385	0.5
302.16913	0.5
307.22614	3.1
308.23001	2.9
333.20465	2.3
372.16312	0.5
389.23114	0.7
399.19357	1.3
400.19580	0.6
404.54117	0.5
439.19287	7.0
445.31363	0.5
450.32797	0.6
455.18698	1.3
462.32501	0.7
534.34686	0.8
535.28638	0.5
551.28156	5.7
552.28137	2.5
553.28156	1.5
587.35468	0.5
731.38916	1.5
749.40570	100.0
750.41052	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05511	1.5
55.22683	0.7
57.03430	2.8
61.02924	7.6
61.47425	0.7
67.05499	8.4
69.03418	5.6
69.07076	1.9
71.04986	2.0
73.02911	5.5
79.05486	5.4
81.03412	3.0
81.07053	7.4
82.34129	0.7
83.08614	1.0
85.02892	6.9
87.04468	1.5
91.03964	5.2
91.05486	2.8
93.07041	6.3
95.04974	2.1
95.08592	4.8
97.02882	5.1
97.06541	1.2
98.23428	1.4
99.04453	1.0
101.02411	1.8
105.07024	1.9
107.08585	3.2
109.02885	1.3
109.10150	3.7
119.08582	1.9
121.10117	2.0
126.99031	0.7
127.03902	1.9
131.08554	1.1
133.10112	1.6
135.11697	3.0
137.09589	1.3
145.04996	0.8
145.10123	1.2
147.11751	0.8
151.50230	0.7
163.11206	0.8
203.05309	0.9
206.69304	0.8
243.08490	3.0
253.14151	1.8
335.25897	0.9
377.00552	0.8
471.21588	5.0
519.29205	8.8
749.44373	100.0
750.44739	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	750.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01855	0.4
57.03424	0.5
58.06582	0.2
61.02914	0.7
65.03934	0.2
65.09055	0.2
68.99806	0.2
69.03421	2.2
70.06583	100.0
71.06915	0.8
71.44459	0.2
73.02901	0.4
76.19044	0.2
81.03403	1.7
83.01285	0.2
85.02897	4.2
86.06080	0.2
91.05446	0.3
95.08611	0.2
97.02876	1.8
99.04449	0.4
101.44252	0.2
105.03384	0.3
109.02860	4.5
112.07590	94.2
112.89342	0.2
113.07936	1.1
116.07108	1.7
119.04926	0.3
121.02853	2.1
127.03921	1.5
131.73857	0.2
137.02280	0.3
137.06012	0.4
139.94695	0.2
140.07042	63.6
141.07410	0.9
145.02866	0.4
145.04922	0.6
147.04396	0.6
153.01778	0.8
158.08105	9.7
159.08437	0.2
161.05977	0.5
165.01826	0.5
175.03839	0.3
177.05444	0.8
207.06467	0.8
211.09587	0.3
212.09135	0.3
213.05385	0.4
230.10184	0.8
241.04836	0.3
242.10249	1.2
258.05270	0.2
266.10214	3.2
284.11258	12.4
285.11603	0.3
287.05463	21.7
288.05804	0.7
302.12357	2.1
311.05411	0.4
329.06525	2.8
353.06430	0.5
377.06351	0.6
395.07394	0.6
552.14624	0.2
588.16956	1.8
684.11353	0.2
762.49890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01868	2.1
57.03425	2.2
61.02918	1.0
67.05489	0.8
69.03416	7.0
70.06625	0.9
77.03919	1.0
78.04720	1.4
79.05473	6.4
81.03405	9.6
81.07100	0.8
85.02889	12.7
91.05460	8.7
93.07030	3.3
95.04977	4.0
97.02864	4.6
99.04470	1.7
102.52822	0.8
103.05454	13.1
105.03394	1.1
105.04528	1.6
105.07012	20.6
107.04934	70.7
109.02878	2.0
109.06481	1.1
111.04423	1.6
115.03916	1.3
115.05420	4.5
117.07016	2.3
118.04124	2.1
119.04946	5.7
120.05690	2.3
121.06483	8.3
123.04414	5.3
123.08074	1.3
124.05219	1.5
127.03894	6.3
131.04890	9.7
133.02823	15.4
133.04935	1.1
133.06468	16.4
135.04404	2.2
135.08031	30.1
136.05168	0.9
137.05954	27.1
143.04948	1.3
143.06033	0.8
145.04955	1.9
145.06535	1.3
145.07596	4.2
146.03699	0.9
147.04379	9.1
147.08052	1.4
148.05139	1.0
149.05954	15.4
150.06758	5.3
151.03886	1.8
151.07507	13.1
152.04681	0.9
154.06233	2.1
159.04376	1.2
159.07973	1.5
160.05219	0.9
161.05943	18.2
161.07285	0.9
163.07512	95.8
164.07906	1.9
165.05467	3.4
165.09070	5.7
166.06229	2.2
167.07008	88.8
168.07365	1.7
169.06369	1.1
173.05946	0.7
175.07565	3.3
176.04741	0.9
177.05386	4.3
177.09073	1.2
178.06003	1.0
179.07005	18.7
179.10658	2.9
180.07716	1.9
181.08560	29.5
187.07507	2.3
191.07010	5.9
192.07730	0.9
193.08574	40.8
194.09142	0.9
195.10132	100.0
196.10466	1.6
197.11662	2.1
203.07034	2.8
205.08600	2.4
207.06432	1.2
207.10103	6.5
209.08040	1.0
211.09613	60.4
212.09967	1.3
213.11172	38.2
215.06989	2.2
219.10103	1.5
223.09618	5.9
225.11177	5.4
227.06876	1.1
229.08594	1.6
233.08067	2.0
235.09595	1.8
237.11183	6.6
245.08180	1.1
253.10675	8.0
255.12221	1.9
259.09528	1.4
272.36588	0.9
275.09198	1.7
279.12271	1.8
279.57071	0.8
291.12216	5.1
293.10196	2.7
299.74100	0.8
303.12189	4.0
305.10037	1.3
305.13773	0.8
311.11264	1.8
321.13309	8.8
323.11288	1.8
339.14258	1.4
341.13354	1.5
343.15302	2.8
361.16513	4.3
373.15750	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	750.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.82586	1.2
54.73356	1.0
55.01865	2.3
56.97734	1.0
57.03426	1.9
57.60897	1.1
63.34619	1.1
65.03917	1.1
69.03416	7.5
69.21671	7.4
73.02890	1.5
77.03915	2.1
78.04725	1.1
79.05476	8.3
81.03402	11.6
85.02905	11.3
90.34747	1.2
91.05476	11.8
93.07018	4.5
93.82568	1.1
95.04951	3.6
97.02866	4.7
103.03912	1.5
103.05454	14.4
105.04488	1.1
105.07017	20.4
107.04940	67.5
109.02867	2.0
115.05386	6.0
117.07002	3.2
118.04121	3.5
119.04936	7.1
120.05699	3.0
121.06480	8.7
123.04413	6.7
124.05222	1.4
127.03901	5.3
130.51723	1.1
131.04915	13.5
133.02829	16.2
133.06485	18.6
135.04390	3.2
135.08035	25.8
137.05946	30.8
143.04976	1.4
145.04956	2.7
145.06453	2.1
145.07542	2.4
147.04388	12.6
148.05202	1.7
149.05946	15.3
150.06694	5.7
151.03868	2.0
151.07521	16.4
152.04605	1.3
154.06198	2.1
161.05956	17.3
162.06378	1.3
163.07518	96.7
164.07898	1.9
165.05434	4.4
165.09103	5.7
166.06229	2.8
167.07013	85.5
168.07378	1.8
169.06461	2.5
175.07515	4.5
177.05478	4.1
179.07014	23.4
179.10559	1.9
180.07771	2.0
181.08571	34.7
187.07486	2.8
191.07027	5.1
193.08575	46.1
195.10138	100.0
196.10440	1.7
197.11823	1.9
199.07576	1.3
203.06905	2.0
205.08638	1.4
207.10129	9.7
209.08141	1.7
209.11624	1.4
211.09627	74.9
212.09926	2.3
213.11186	47.5
215.06918	1.9
221.08043	1.5
223.09601	6.7
225.11217	6.8
233.07903	1.4
235.09634	1.5
237.11192	9.6
253.10706	8.1
255.12152	3.3
257.08118	1.3
275.09094	1.7
279.12259	2.9
287.09085	1.2
291.12180	3.6
293.10156	1.8
303.12222	4.4
311.11169	3.7
321.13202	11.9
323.11359	2.7
339.14063	2.0
343.15359	3.6
361.16437	5.2
373.15704	2.8
418.31992	1.3
499.18570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.5
65.03917	1.2
69.03425	7.4
69.58011	1.3
69.78948	3.5
73.02879	1.2
78.04693	1.0
79.05486	5.6
81.03411	4.7
81.67866	1.0
85.02901	13.4
85.46504	1.1
91.05462	12.5
93.03395	1.8
93.07024	4.4
95.04946	5.5
96.04453	1.0
97.02879	5.7
99.04490	1.5
103.05448	15.5
105.03397	1.5
105.07027	14.8
106.04149	4.8
107.04945	32.7
109.02877	1.8
115.05450	4.1
117.06990	2.2
118.04160	2.4
119.04942	5.3
120.59647	1.2
121.06466	11.2
124.05208	1.3
125.05943	2.1
127.03893	6.0
129.06993	5.3
131.04900	12.4
131.08566	3.2
132.05650	1.6
133.02853	2.2
133.06477	14.5
135.08029	8.1
136.05159	1.6
137.05954	17.7
145.04961	3.2
145.06409	1.5
146.07224	3.3
147.04474	1.4
148.05159	3.5
149.05963	18.0
151.03830	2.1
151.07526	7.7
153.05475	1.9
153.09027	1.9
157.06491	4.1
161.05954	81.0
161.09579	18.5
162.06387	1.4
162.07669	1.6
163.03871	3.1
163.07524	43.2
164.07977	1.2
165.05460	6.9
165.06862	1.7
165.09117	5.1
166.06259	1.7
167.07013	47.6
168.07336	1.7
173.06006	2.4
174.06775	4.2
175.07541	8.3
177.05470	12.2
177.09119	2.9
179.05495	1.7
179.07007	11.2
180.07751	14.8
181.08574	27.9
181.10098	2.3
183.08099	1.4
189.05499	1.9
189.09070	53.8
190.09517	1.8
191.07033	18.4
192.07758	4.2
193.08556	16.4
195.06499	2.1
195.08467	1.2
195.10153	8.7
197.08051	3.8
201.09047	1.7
205.08545	2.7
207.06516	4.5
207.10129	88.3
208.10477	2.6
209.08060	24.3
211.09593	4.7
213.11232	3.9
219.10101	5.5
221.08040	5.3
223.07448	1.2
225.09175	1.5
225.11143	1.6
229.08463	1.3
233.08052	3.6
245.07950	1.3
247.09720	1.8
253.08498	1.5
257.11725	2.1
273.11197	1.6
279.10004	1.7
283.09537	2.7
283.13007	1.3
285.10971	2.8
291.12292	4.5
307.12421	1.4
309.13434	1.2
315.12192	2.8
317.13684	2.7
323.11273	4.3
329.13950	2.2
335.11377	1.9
341.12207	7.7
343.15341	8.4
353.12250	2.6
355.15283	1.3
361.16385	100.0
362.16464	5.3
371.13617	2.8
373.16357	7.6
750.32452	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	750.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01876	7.1
55.05505	17.2
57.03428	10.9
57.07074	1.7
59.05002	4.8
61.02916	5.2
65.03930	3.1
67.05495	94.1
68.05835	1.3
69.03414	4.4
69.07063	6.3
71.04984	5.5
79.05476	18.7
79.60361	1.3
81.03411	2.3
81.07049	28.6
81.07498	2.4
83.04970	2.6
83.08599	8.2
85.02898	4.5
85.06539	3.9
91.03951	1.3
91.05473	15.8
93.07029	18.4
95.04961	11.3
95.08584	11.8
97.02897	3.9
97.06503	1.4
97.10171	4.7
105.07024	8.4
107.04965	4.0
107.08568	13.8
109.02869	2.6
109.06499	4.5
109.10142	75.2
110.10449	1.8
111.04429	1.5
111.08058	4.4
111.89307	1.4
115.05436	1.3
117.06987	8.6
118.43701	1.5
119.08556	12.6
121.06513	4.3
121.10105	3.0
123.08075	1.6
123.11774	1.5
125.09628	2.4
129.00987	1.8
129.06978	2.3
130.98984	2.1
131.08560	4.3
133.10132	4.9
135.08020	13.5
135.11674	2.1
137.09575	9.0
143.08572	1.7
145.06473	2.6
145.10132	3.9
155.10681	4.3
157.10168	2.0
159.08104	2.7
159.11571	1.7
161.09653	2.3
163.07555	4.9
163.11160	2.7
171.05699	2.6
173.09619	1.3
173.10231	2.1
173.11717	21.8
183.11662	1.8
199.05211	2.2
209.11856	1.4
229.14314	94.4
230.14699	2.4
243.17410	1.9
246.18384	1.5
271.16776	2.7
279.15143	2.2
289.17944	7.3
325.15643	2.1
399.19244	68.5
400.19446	2.1
517.34943	1.6
553.29193	100.0
554.29297	5.9
750.39178	4.7
751.38751	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	750.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.69939	1.0
55.01862	9.9
55.05256	1.4
55.05504	18.7
57.03431	12.1
57.07072	2.6
59.04987	4.1
61.02908	3.9
65.03934	2.1
65.65649	1.0
67.05494	100.0
69.03422	4.0
69.07058	13.6
69.72675	4.0
71.01347	1.8
71.04976	5.5
73.02885	3.0
75.16485	0.9
79.05033	1.6
79.05483	23.4
81.03403	5.1
81.07047	39.2
83.04961	8.8
83.08604	11.9
83.91280	1.1
85.02894	4.4
85.06533	2.5
89.20428	1.0
91.03947	1.1
91.04939	1.5
91.05469	16.8
92.05794	1.3
93.07023	17.0
95.04960	11.4
95.08591	12.7
97.02861	10.6
97.06509	6.3
97.10143	9.9
105.03368	1.5
105.04516	1.3
105.06997	10.9
105.34222	1.1
107.04958	7.6
107.08588	13.1
108.05682	1.0
109.02856	2.0
109.06503	10.0
109.10140	81.1
111.04436	1.6
111.08077	5.9
116.04707	4.0
117.06999	6.4
119.08567	13.9
121.06482	2.9
121.10143	5.7
122.07286	2.4
123.04414	4.3
123.08045	2.6
125.05982	1.2
125.09624	10.8
127.11205	2.2
128.06206	1.3
129.05450	9.3
129.07018	1.9
131.08548	4.8
133.06403	1.7
133.10088	4.9
135.08028	9.2
135.11653	3.2
136.08830	1.2
137.09589	16.9
138.10374	1.1
139.07561	1.3
140.96878	1.2
143.06978	2.0
143.08534	2.2
145.06482	1.3
145.10110	4.2
147.08018	5.1
147.11674	4.4
149.09605	4.1
151.07512	2.1
151.11070	1.6
153.09074	4.5
155.10645	6.5
157.08591	4.5
157.09993	1.3
159.08052	2.8
159.11629	3.0
161.09599	4.9
163.07495	1.2
163.11163	3.5
165.09105	2.9
165.12720	1.6
171.06464	1.4
171.10175	2.2
171.11626	1.4
173.09540	2.3
173.11708	26.2
173.13147	1.2
175.11140	2.6
177.09108	1.4
179.10690	1.3
189.11189	3.9
191.14265	1.6
193.12209	4.7
199.13287	2.9
207.10028	1.1
213.76108	1.1
221.11690	2.9
227.12686	8.0
229.14311	56.8
230.14685	2.0
233.15228	1.4
239.12756	2.7
255.15726	1.9
261.18451	1.5
271.17126	1.2
273.18423	9.7
275.20093	1.4
283.15244	2.2
283.18909	1.1
289.17899	4.5
290.18671	2.2
291.19482	3.2
307.18903	2.5
313.16357	2.0
325.20215	1.6
347.22104	3.8
363.21216	1.7
364.22498	1.2
365.23120	3.9
381.22610	2.2
383.24289	14.2
399.23569	10.6
416.24307	1.2
423.27234	4.5
449.25488	1.4
463.30682	1.1
467.26312	19.4
468.27026	1.9
501.31744	3.0
503.33310	1.3
517.31293	1.7
518.32098	5.8
519.33118	22.0
520.32916	1.2
535.32397	6.7
536.33484	1.9
553.25470	2.2
553.33563	27.3
554.33612	1.4
750.37073	11.4
751.38837	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	751.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
57.03418	1.1
66.11868	0.4
67.05487	0.6
69.03419	26.2
70.80475	0.4
73.02906	7.7
79.05494	0.4
81.03406	0.8
81.53046	0.4
85.02891	10.7
85.03407	0.7
90.16224	0.5
91.05464	0.4
97.02879	85.3
98.03221	0.9
99.04418	0.4
105.01846	0.6
105.07025	0.6
109.02852	1.1
115.03914	51.7
121.02857	1.7
127.03874	3.2
133.32158	0.3
139.03862	0.4
145.02859	0.7
145.04900	0.5
153.01794	1.1
157.04941	100.0
158.05302	1.9
165.01846	0.6
177.05424	0.9
188.39531	0.4
213.05516	0.5
217.07033	4.7
287.05457	50.1
288.05740	1.4
299.05408	0.7
365.06277	0.6
449.10754	0.9
503.11383	1.0
527.16199	0.5
535.10852	3.6
556.15308	0.6
589.16748	0.4
714.71362	0.4
725.93488	0.5
751.21753	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	751.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01864	0.8
55.05507	0.9
57.03428	2.1
61.02915	3.9
67.05495	4.7
69.03417	3.4
69.07063	1.4
69.85629	0.4
71.01346	0.5
71.04983	0.7
73.02908	2.7
79.05482	2.8
81.03406	4.1
81.07038	5.0
83.04968	0.6
83.08605	1.1
85.02892	4.9
91.03969	2.4
91.05468	6.5
93.07038	3.5
95.04988	1.5
95.08031	0.4
95.08605	2.2
97.02869	4.0
97.06531	1.0
99.04427	0.6
101.02378	1.8
103.03996	0.7
105.03381	1.2
105.07034	2.6
107.08608	1.0
109.02857	0.7
109.06502	0.9
109.10143	2.3
111.04494	0.5
117.07014	0.9
119.08571	6.1
121.10136	1.1
127.03921	1.0
129.07057	0.7
131.04970	0.6
133.10143	1.2
137.09604	2.3
145.10100	1.1
147.08093	1.0
147.11668	1.2
149.09708	0.8
163.42744	0.5
165.09128	1.2
203.05287	0.5
218.51913	0.5
229.14212	0.7
243.08348	2.9
283.15533	0.5
333.20276	3.7
423.19958	0.7
441.17230	10.1
468.19037	0.5
513.18970	0.6
531.00513	0.5
551.27985	3.1
588.31427	0.5
623.30371	0.6
712.88702	0.6
751.38574	100.0
752.39221	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	751.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
55.01859	1.0
55.05507	1.8
57.03432	2.1
58.70024	0.4
60.12767	0.4
61.02924	3.1
67.05495	5.2
69.03421	2.7
69.07069	1.5
69.24034	2.4
71.04988	0.7
73.02909	2.6
76.88898	0.4
79.05481	2.5
80.44334	0.4
81.03406	4.3
81.07042	2.7
83.04979	1.1
83.08618	1.1
85.02885	3.6
85.03275	0.4
91.03965	2.2
91.05471	5.9
93.07043	3.8
95.04972	1.6
95.08578	2.0
97.02868	3.4
97.06547	0.5
98.82958	0.4
99.04472	1.1
101.02342	1.0
101.07846	0.4
103.05450	0.5
105.03380	0.9
105.07039	2.0
106.03637	0.5
107.04965	0.7
107.08601	1.5
109.02894	0.8
109.06556	0.6
109.10121	2.0
110.10461	0.4
111.04502	0.7
115.03948	0.4
117.07040	1.1
119.08567	5.3
121.06503	1.0
121.10139	0.8
123.08083	0.7
125.09644	0.6
127.03944	1.4
129.06970	0.5
131.08588	0.6
133.10127	0.7
135.08087	0.6
135.11667	0.6
137.09636	1.9
145.10143	0.6
145.84422	0.4
147.08055	0.9
147.11702	0.5
163.11168	0.9
165.09169	1.2
223.09380	0.5
229.14323	1.0
243.08453	1.7
279.11951	0.6
287.19812	0.4
333.20212	1.9
425.18225	0.5
441.17212	9.0
442.17831	0.6
523.24890	0.6
551.28174	3.4
597.25165	0.6
751.38586	100.0
752.38983	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	751.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01873	0.8
55.05514	1.8
57.03424	2.9
59.05041	0.6
61.02924	3.8
65.86206	0.7
66.92412	0.5
67.05495	6.3
69.03429	3.4
69.03762	0.5
69.07068	2.0
69.15529	2.7
71.04990	1.0
72.84377	0.6
73.02910	4.3
79.05483	4.8
81.03423	4.7
81.07048	7.1
83.08615	1.2
85.02894	4.4
91.03963	1.9
91.05470	5.0
93.07035	3.7
95.04957	4.0
95.08581	3.4
97.02870	4.2
97.06545	1.2
97.10159	0.7
98.22728	1.5
101.02399	1.5
103.05492	2.6
105.03384	4.3
105.04495	0.6
105.07047	2.0
107.04955	1.2
107.08604	1.5
109.02894	0.8
109.06494	1.3
109.10168	4.1
111.08057	0.8
117.07030	0.9
119.08601	2.6
121.10166	1.9
123.08083	0.9
127.03918	1.4
129.07030	0.7
131.04887	4.3
131.08588	1.5
133.10130	0.9
135.08125	0.8
137.09645	1.4
145.10138	1.2
147.11734	0.7
149.09581	1.1
157.10149	1.2
165.09192	0.8
175.11292	0.7
178.24364	0.5
185.04219	0.7
193.12263	1.4
229.14432	1.8
230.14729	0.8
243.08449	3.8
247.16876	0.7
251.12392	0.6
275.20142	0.7
305.17242	2.3
397.18433	1.0
469.20410	6.1
523.25226	7.7
541.22931	0.8
584.62170	0.6
623.30524	0.9
751.38593	100.0
752.29517	3.8
752.39136	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	751.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54964	0.6
55.05500	1.7
55.45824	0.7
57.03439	1.6
61.02914	3.0
61.08602	0.6
63.38771	0.6
63.83967	0.7
67.05489	4.5
69.03423	2.5
69.07056	1.1
73.02899	2.2
79.05475	3.4
81.03413	4.0
81.07050	4.0
83.04993	0.9
83.08574	0.9
85.02889	2.8
87.04426	1.0
91.03932	1.7
91.05470	3.9
93.07018	3.6
95.04990	1.3
95.08592	3.1
97.02898	2.8
97.06512	0.8
98.23499	1.7
101.02374	1.6
103.03923	0.7
105.07022	1.5
107.08598	1.2
109.06461	1.0
109.10151	1.4
119.08567	3.0
121.06487	0.9
121.10133	1.3
127.03957	1.3
131.08530	0.9
135.11676	1.2
137.09650	1.7
147.08078	1.2
165.09143	1.5
187.55760	0.6
225.11226	0.8
243.08514	2.1
255.12096	2.3
325.36206	0.8
351.21518	1.5
407.24091	1.4
455.19110	0.9
473.19965	8.3
519.29108	3.9
552.98077	0.7
715.43719	2.0
751.41968	100.0
752.42462	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	751.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05501	1.3
57.03437	2.3
57.75862	0.4
59.05004	0.7
61.02919	7.0
67.05491	5.2
69.03426	3.6
69.07063	0.6
69.22031	2.6
71.04984	0.9
73.02907	4.4
74.38958	0.4
79.05488	5.5
81.03403	3.4
81.07047	4.6
83.08620	0.9
85.02889	6.0
87.04431	0.6
91.03948	4.0
91.05466	3.6
93.07027	5.1
95.04977	1.3
95.08583	3.6
97.02879	5.1
99.04447	1.0
101.02346	2.2
103.03928	0.7
105.07033	1.9
107.04987	0.9
107.08580	1.3
109.02864	1.0
109.06546	0.6
109.10155	1.6
115.03925	0.4
119.08597	1.2
121.10131	3.6
127.03908	2.2
131.08606	1.5
133.10135	0.8
135.11722	1.0
140.69377	0.4
145.10194	0.6
147.11707	1.2
149.09651	1.1
157.10085	0.6
185.04204	0.9
193.12216	1.0
203.05307	0.5
243.08287	2.6
283.15143	6.6
307.22638	0.6
318.07413	0.6
361.11459	0.5
430.85278	0.5
491.26123	10.1
491.32626	0.9
501.22998	7.8
501.29703	0.4
589.37238	0.6
751.42249	100.0
752.42493	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	751.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01852	0.6
55.05503	1.7
57.03434	2.1
59.05003	0.5
61.02920	6.6
62.30773	0.3
64.45786	0.3
67.05496	5.7
69.03430	3.3
69.07066	0.9
71.01360	0.4
71.04987	1.1
73.02908	4.7
77.76488	0.3
79.05483	5.7
79.05940	0.4
81.03401	3.2
81.07051	5.4
83.04970	0.4
83.08592	0.7
85.02893	5.6
85.06526	0.5
87.04457	0.6
88.09364	0.3
91.03952	3.3
91.05468	4.1
93.07031	4.7
93.07586	0.4
95.04980	1.5
95.08598	3.1
97.02886	4.8
97.06539	0.8
97.10197	0.5
99.04460	1.1
101.02370	1.6
103.03944	0.5
105.07018	2.1
107.08599	1.4
109.02874	0.9
109.06503	0.7
109.10162	1.3
115.03902	0.4
117.07004	0.6
119.08556	1.7
121.10142	3.3
122.10487	0.4
127.03886	1.9
129.07007	0.4
131.08557	1.4
133.10127	1.4
135.11642	0.5
137.09622	0.4
140.76186	0.3
145.10118	0.5
147.11717	1.0
149.09628	1.1
157.10156	0.6
159.11720	0.4
164.92500	0.3
175.11139	0.5
185.04231	0.9
203.05302	0.6
213.30034	0.3
215.17984	0.4
223.51347	0.3
225.14862	0.5
233.11626	0.4
243.08293	2.2
283.15140	5.2
307.22818	0.8
339.17862	0.7
343.91226	0.3
491.26102	8.9
492.26779	0.5
501.22925	4.1
751.42242	100.0
752.42426	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	752.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01867	3.7
55.05250	1.4
55.05502	16.7
57.03430	12.4
59.04991	4.3
61.02908	4.0
65.03925	3.1
67.05495	84.3
69.03415	3.0
69.07059	9.9
71.04979	4.8
73.02892	1.2
79.05479	21.2
81.03402	2.7
81.07043	37.0
83.04967	1.8
83.08602	8.8
85.02883	4.4
85.06531	1.1
91.03927	1.1
91.05461	22.3
93.07031	18.6
94.52839	0.8
95.04956	8.5
95.08590	11.2
97.02890	2.2
97.06511	1.2
97.10150	3.8
98.81283	0.8
99.04436	1.3
105.07008	13.3
107.04951	9.2
107.08576	8.7
109.06510	4.9
109.10140	69.3
110.10493	1.7
111.04436	2.4
111.08061	5.5
115.05420	1.4
117.01042	1.1
117.06985	7.6
119.08558	19.6
121.06494	5.1
121.10143	8.1
123.08046	9.6
125.09616	3.0
128.06148	1.4
129.06993	5.0
130.07715	0.9
131.02599	1.1
131.08545	9.9
133.06480	2.5
133.10132	5.4
135.08035	3.5
135.11678	3.0
137.09615	5.8
141.07007	1.0
143.08543	5.2
145.10114	9.8
147.08017	6.6
147.11653	3.1
149.09596	7.6
155.10669	4.5
157.10101	4.6
159.08044	2.0
159.11678	3.9
161.09602	6.6
163.11122	5.7
169.10121	1.8
171.11661	4.5
173.09584	1.3
173.09982	1.2
173.11720	21.5
173.13161	1.0
175.11174	2.9
183.11731	0.8
185.13130	1.6
187.11203	1.0
197.07362	2.0
199.11133	1.0
211.13188	1.0
227.12766	1.3
227.17961	1.6
229.14311	100.0
230.14677	2.5
237.16296	1.0
245.19081	1.4
249.14894	1.2
255.17445	3.3
273.18427	20.7
273.21341	1.2
274.18787	1.8
291.14740	1.0
291.19498	25.0
291.22647	1.9
292.19803	1.3
309.16202	4.4
327.17313	2.6
347.22134	4.7
365.23013	1.3
383.19763	18.2
384.20569	1.0
401.20786	30.6
402.21094	1.8
501.32089	5.3
519.33105	14.7
520.33447	1.0
537.29688	35.9
538.29883	2.2
555.30750	48.3
556.30975	3.7
568.72290	1.1
752.48431	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01854	14.6
55.05507	8.0
61.02901	2.7
64.59454	2.4
66.57398	2.2
67.05488	33.2
68.68327	2.2
69.07053	19.0
71.75745	2.2
79.05476	38.5
81.03406	8.2
81.07047	36.2
83.04964	8.9
83.08592	5.2
83.44020	2.8
91.01641	2.4
91.05466	44.8
91.05988	4.7
93.07031	29.8
95.01312	3.1
95.04979	14.5
95.08598	20.5
97.02895	4.0
97.05959	3.3
97.06532	24.0
98.10697	2.4
105.07009	55.8
107.04924	15.8
107.08561	14.5
109.06493	5.6
109.10160	6.5
114.82761	2.5
117.07023	7.4
119.08576	26.1
121.10099	7.6
129.06984	6.7
131.08559	10.6
133.10103	22.8
135.11667	6.4
143.08531	5.0
145.10109	6.9
147.11679	16.3
149.09624	5.5
159.11719	5.7
161.13211	5.2
163.11148	3.8
171.11674	9.1
173.13223	3.8
174.96420	2.6
175.11137	2.6
179.12535	2.6
179.14297	9.5
187.12955	2.4
189.12727	3.4
207.13789	7.0
240.71141	2.8
258.88309	2.8
275.20041	43.6
281.17432	30.8
349.23737	18.2
555.36749	100.0
556.36707	8.2
752.42676	28.5
753.41479	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	753.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01870	1.7
57.03411	0.7
58.06572	0.3
67.01842	0.4
67.05499	0.4
69.03414	2.6
71.04977	2.2
71.84258	0.3
81.03404	19.2
82.16172	0.3
83.01336	0.6
83.46311	0.3
85.02892	4.2
95.04935	0.4
97.02875	5.8
99.04440	19.7
103.03923	8.1
109.02860	40.8
110.03168	0.4
115.03909	0.9
127.03893	100.0
128.04239	1.1
137.02327	0.5
137.05972	0.4
138.05460	0.4
139.03868	1.0
145.04927	9.9
153.01830	0.5
155.42642	0.3
166.04994	0.3
169.04930	12.2
177.05464	0.5
180.06660	0.4
183.47746	0.3
187.05988	28.3
188.06271	0.7
189.97047	0.3
193.08636	0.4
207.06586	0.3
211.05972	0.6
219.65468	0.3
229.05144	1.1
229.07025	28.7
230.07477	0.7
247.08206	0.4
287.05334	0.5
289.09091	1.5
303.04910	21.5
304.05362	1.0
316.97006	0.4
337.01910	0.5
465.09924	1.1
496.62631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
55.01870	1.7
57.03411	0.7
58.06572	0.3
67.01842	0.4
67.05499	0.4
69.03414	2.6
71.04977	2.2
71.84258	0.3
81.03404	19.2
82.16172	0.3
83.01336	0.6
83.46311	0.3
85.02892	4.2
95.04935	0.4
97.02875	5.8
99.04440	19.7
103.03923	8.1
109.02860	40.8
110.03168	0.4
115.03909	0.9
127.03893	100.0
128.04239	1.1
137.02327	0.5
137.05972	0.4
138.05460	0.4
139.03868	1.0
145.04927	9.9
153.01830	0.5
155.42642	0.3
166.04994	0.3
169.04930	12.2
177.05464	0.5
180.06660	0.4
183.47746	0.3
187.05988	28.3
188.06271	0.7
189.97047	0.3
193.08636	0.4
207.06586	0.3
211.05972	0.6
219.65468	0.3
229.05144	1.1
229.07025	28.7
230.07477	0.7
247.08206	0.4
287.05334	0.5
289.09091	1.5
303.04910	21.5
304.05362	1.0
316.97006	0.4
337.01910	0.5
465.09924	1.1
496.62631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
57.03416	0.5
61.02908	0.7
69.03411	1.7
69.61697	0.5
69.62062	1.0
71.04982	2.0
73.02888	0.3
81.03403	25.7
82.03751	0.5
83.01315	0.4
83.04958	0.3
85.02892	6.9
93.05553	0.3
95.39043	0.3
97.02875	13.1
98.23367	0.7
99.04440	6.5
103.03936	0.7
108.37700	0.3
109.02860	100.0
110.03190	1.0
116.03320	0.3
116.04226	0.3
118.15942	0.3
127.03895	55.1
128.04221	0.9
137.02258	0.5
137.05945	0.3
139.03874	4.5
145.04924	0.9
146.59453	0.4
169.04932	20.2
177.05479	0.6
187.06013	2.2
191.06908	0.4
205.06979	0.4
207.06406	0.4
211.05992	1.1
229.04930	0.4
229.07022	11.5
230.07376	0.4
247.24863	0.3
287.05457	2.4
289.09048	1.7
303.04916	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	753.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05501	1.4
56.96556	1.6
57.03428	1.3
61.02916	5.6
64.37923	0.7
67.05494	6.6
69.03439	2.4
69.07067	1.4
71.05006	0.8
73.02921	4.0
79.05482	4.5
79.74438	0.6
81.03423	1.6
81.07037	4.7
83.08619	0.7
83.44708	0.7
85.02883	5.2
85.06631	0.6
91.03956	3.9
91.05481	2.3
93.07024	5.1
93.64175	0.6
95.04983	1.4
95.08606	2.6
97.02879	4.5
98.97545	3.5
99.04501	0.8
101.02375	1.5
103.03947	0.9
105.07021	1.4
107.08580	1.1
109.06468	0.6
109.10144	3.6
110.67243	0.7
110.97559	0.9
112.99152	1.2
116.98618	2.3
119.08575	1.0
121.10146	2.7
127.03937	2.4
128.98627	1.5
131.00180	2.2
133.10091	1.1
135.11618	0.6
143.00197	1.0
145.10143	0.9
146.99635	1.2
149.01263	2.9
158.99683	1.6
170.99677	2.3
173.01233	0.8
173.11768	1.3
177.00723	2.7
185.04214	0.8
189.00749	2.2
189.21031	0.6
195.09891	1.4
203.02251	0.9
203.05089	0.7
219.01860	1.5
243.08463	1.8
261.03000	1.4
275.19916	0.8
279.03934	2.1
293.05490	2.2
307.22858	1.2
313.20410	1.2
321.04971	6.4
413.17789	5.0
437.09732	1.4
455.10583	2.9
480.68073	0.8
491.25989	9.7
578.71362	0.7
663.37024	100.0
664.37402	9.2
677.36511	1.0
693.33984	3.6
734.81909	0.8
735.38715	1.3
753.39642	12.1
754.40955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.6
57.03431	2.9
57.07055	3.0
67.05495	15.5
68.72939	1.9
69.03413	9.6
69.07054	20.8
69.71527	4.0
69.71858	2.3
71.19407	1.5
79.05459	10.5
81.03400	7.3
81.07044	30.1
83.08623	5.5
85.02882	14.8
87.00824	6.3
88.64612	1.6
91.05470	11.7
93.07040	11.7
95.04950	5.4
95.08593	38.3
97.02895	5.9
98.16225	1.5
98.22735	3.1
105.01838	4.6
105.03358	4.3
105.07016	18.9
107.04942	3.9
107.08586	14.4
109.02866	6.5
109.06516	4.9
109.10136	22.3
117.06976	3.5
119.04916	2.7
119.08565	11.2
121.06492	18.0
121.10129	8.8
123.08055	6.0
123.11700	4.3
127.03896	11.0
129.06966	3.1
130.84032	1.7
131.08566	11.7
132.62068	1.7
133.06474	7.5
133.10136	7.9
135.07985	9.6
135.11696	3.2
137.13205	2.1
143.08574	6.2
145.06485	6.5
145.10091	12.9
147.08014	8.5
147.11688	7.5
149.09579	5.3
151.14824	3.1
155.07115	2.2
155.08516	2.3
156.09346	2.3
157.10129	8.0
159.08058	10.5
159.11656	9.0
161.09601	9.0
165.07059	1.9
165.16374	3.9
169.10149	4.9
171.08055	6.0
171.11671	6.1
173.09589	30.1
173.13268	4.1
175.11163	17.0
179.08424	2.5
181.10060	2.8
182.10783	2.4
183.11676	3.6
185.09607	5.8
185.13225	6.1
187.11095	8.8
189.12721	4.7
195.11673	4.8
197.09573	2.5
197.13232	3.3
199.11110	4.2
199.14853	2.3
201.12744	6.2
201.16281	2.0
203.14322	2.5
209.13300	3.4
211.14784	3.2
211.28658	2.2
213.03754	1.5
213.12762	16.3
213.16458	1.7
215.14355	3.1
227.14209	8.7
229.15919	3.1
231.13742	11.0
239.14276	5.6
241.15915	2.6
245.15369	5.2
249.14825	5.7
257.22552	1.9
261.14844	2.6
263.16373	13.9
271.20407	2.1
275.16342	12.8
277.17932	3.9
285.22101	11.7
287.19168	1.9
289.17972	3.1
291.19305	2.1
303.19589	2.8
315.19571	15.0
317.20947	15.4
329.21094	5.1
331.22711	3.6
345.24188	4.4
371.25867	3.1
373.20084	1.9
391.30008	2.9
409.30899	6.2
427.32022	100.0
428.32263	4.7
445.32974	7.3
487.34067	82.5
488.34106	4.5
490.76492	2.6
505.28308	3.5
505.35162	53.7
506.35483	3.5
753.36169	4.1
756.80115	2.1
777.38196	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01863	11.0
55.05508	18.7
57.03421	6.2
59.04981	1.3
65.03909	1.5
67.05494	20.9
67.08375	1.1
69.03407	4.8
69.07066	6.6
71.05006	3.0
73.02923	2.2
79.05479	43.9
79.05940	2.6
81.03392	8.6
81.07043	100.0
83.01324	4.2
83.04974	11.3
83.08609	10.9
85.02891	6.7
85.06525	1.2
91.05460	21.2
93.07028	27.0
95.04944	16.0
95.08593	12.9
97.02877	1.4
97.06520	5.1
97.10142	6.1
99.04452	3.2
105.04520	2.7
105.07008	17.0
107.04926	9.2
107.08572	15.0
109.06498	53.8
109.10136	7.1
111.04414	8.0
111.08025	3.8
115.05499	1.6
117.07011	14.5
119.08556	24.6
121.06480	7.9
121.10102	10.1
123.08057	7.4
124.04648	1.1
125.09620	4.4
127.74548	1.2
128.06213	2.4
129.06979	5.3
131.08568	11.0
133.06531	2.6
133.10103	4.7
135.08040	5.0
135.11655	7.8
137.09608	2.4
143.08560	4.1
145.06416	2.1
145.10092	15.1
147.08046	12.3
147.11702	3.1
149.09604	5.7
153.12691	3.3
155.08516	2.1
157.10126	3.6
159.08092	1.5
159.11676	3.0
161.09627	9.7
163.11128	16.2
165.09052	2.8
173.09608	3.4
181.12180	4.3
183.10191	2.4
189.11243	3.1
191.10712	3.1
197.55724	1.2
199.11171	2.0
209.11751	3.7
223.13264	4.2
227.12723	4.4
234.58691	1.3
249.14828	5.0
255.17395	3.1
273.18442	28.4
283.15347	46.2
284.15695	2.0
291.19479	95.2
292.19836	3.6
347.22104	12.7
365.23193	14.3
386.28668	1.3
391.20862	1.9
437.25137	1.6
555.32990	12.0
573.34021	43.0
574.34509	3.1
721.37286	1.4
753.40094	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	754.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.3
55.01859	13.2
55.05502	27.2
57.03425	15.5
65.03937	4.2
67.05492	55.2
69.03411	13.6
69.07063	11.5
69.09045	15.9
71.01329	2.5
71.04980	11.8
71.05326	2.5
73.02912	3.0
79.05480	42.4
81.03404	100.0
81.07043	40.2
82.04166	2.4
83.04962	20.2
83.08595	20.0
85.02888	24.3
87.20837	2.2
91.04916	4.6
91.05464	48.3
93.07026	26.9
95.04958	40.6
95.08582	17.3
97.02871	18.6
97.06509	11.7
97.10160	12.1
98.03661	6.8
99.04434	6.0
99.08072	2.3
105.07002	36.9
107.04937	19.2
107.08569	22.8
109.02868	5.9
109.06487	6.9
109.10115	17.7
110.07272	6.9
111.04414	8.9
111.08043	11.2
113.05979	4.2
117.07015	7.7
119.04951	3.3
119.08542	19.3
121.06468	3.9
121.10098	14.2
123.04373	6.5
123.08049	6.2
124.69511	2.3
125.05963	4.1
125.09612	12.7
127.03905	7.6
129.05475	4.9
129.07002	11.2
131.08540	12.2
133.06508	3.9
133.10100	13.6
135.08011	4.6
135.11682	8.6
136.69183	2.6
137.09584	3.7
142.07727	2.6
143.08557	3.1
144.08131	3.9
145.06511	3.9
145.08408	2.4
145.10098	8.8
147.08015	5.6
147.11670	18.6
149.09601	10.9
153.05470	2.8
153.12723	4.0
157.10086	13.7
163.11159	10.2
165.12721	6.0
173.04408	17.9
173.09624	2.2
173.11716	8.1
175.11179	13.5
181.12190	3.6
189.11156	4.6
191.10680	5.4
193.12201	41.8
199.05846	5.7
209.11635	5.7
211.13242	40.8
211.15086	3.4
224.14095	3.2
227.12730	10.8
229.14314	6.7
244.12619	2.1
265.14285	3.0
267.15891	21.5
268.16125	3.0
283.15302	10.7
285.16931	25.8
306.17056	2.8
395.48489	2.5
421.25842	4.2
439.26849	31.9
445.20493	4.4
475.27200	6.5
476.27396	3.9
477.28500	3.5
493.27777	8.3
507.29355	3.1
508.30069	2.8
511.28583	11.0
639.33368	7.6
743.52209	3.3
754.36194	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	754.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	8.0
55.05504	19.0
57.03424	6.2
61.02907	4.3
64.00023	3.0
65.03913	2.8
67.05489	34.7
69.03402	3.1
69.07060	11.9
71.04972	5.6
79.05475	27.9
81.03400	9.6
81.07050	38.8
83.04974	12.3
83.08596	10.2
85.02861	6.2
85.06498	3.7
91.05463	26.9
93.07026	38.4
95.04948	15.4
95.08574	18.4
97.02876	4.8
97.06514	6.4
97.10136	4.0
97.93015	2.4
103.05511	2.4
105.07018	26.8
107.04909	13.5
107.08571	24.0
109.06491	13.6
109.10115	14.3
111.08060	2.7
117.06989	11.3
119.08549	16.5
121.06491	16.2
121.10110	12.5
123.08034	9.4
125.09554	4.3
128.06105	2.5
129.06989	5.6
131.08548	21.5
131.92848	2.3
133.06454	3.5
133.10112	17.4
135.08038	6.9
135.11671	9.3
137.09576	6.2
143.08504	4.7
145.06451	2.9
145.10100	20.9
147.08032	5.7
147.11667	12.0
149.09599	7.2
149.13324	4.2
155.08519	3.4
159.11673	10.7
161.09575	6.2
161.13168	2.9
163.11131	16.7
165.12666	2.8
171.11639	3.5
173.13263	6.5
175.11124	3.0
177.12788	2.8
187.14874	3.2
191.10681	2.8
191.97435	2.2
197.13289	2.6
209.11601	4.0
227.12712	5.0
228.88559	3.5
257.18906	8.4
273.18402	4.3
275.19995	64.5
283.15366	40.1
293.21176	15.4
349.23706	70.5
350.23788	6.3
375.30338	2.3
557.34619	100.0
558.35162	11.5
575.35895	17.0
576.35327	3.6
580.78290	2.6
754.39600	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	754.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.6
55.01872	9.6
55.05510	16.7
57.03441	6.7
65.03905	1.8
67.05501	25.2
67.69597	1.7
69.03415	3.1
69.07066	17.1
71.05001	2.2
71.43954	1.6
79.05485	26.6
81.03413	9.3
81.07047	40.9
83.01355	2.7
83.04976	8.8
83.08609	10.1
85.02882	4.1
91.05475	31.3
93.07030	24.0
95.01324	3.6
95.04964	13.4
95.08598	17.8
95.84430	1.5
97.02888	3.1
97.06537	12.7
97.10166	4.1
97.17268	1.6
105.03374	22.1
105.04478	3.6
105.07017	40.2
107.04940	13.5
107.08570	12.7
109.06514	8.3
109.10141	8.3
111.08080	2.3
117.06987	10.8
119.08578	21.6
121.06469	3.2
121.10122	8.8
123.08064	7.0
123.11740	2.3
125.09621	3.4
128.06218	1.8
129.07056	2.4
131.08543	12.4
133.10109	16.7
135.08032	4.2
135.11679	7.5
137.09619	1.8
143.08569	2.6
145.10095	16.8
147.11685	7.1
149.09651	3.7
149.13210	2.2
155.08530	2.2
159.11678	4.0
161.13216	3.2
163.11162	12.2
165.12782	1.9
173.13293	1.9
175.11134	1.7
179.14296	5.8
191.10670	2.2
197.13414	2.2
209.11638	3.5
257.19147	2.2
274.12222	2.2
275.20013	29.3
283.15363	51.6
349.23740	16.4
399.82315	1.7
409.10880	1.6
435.71545	2.0
483.04459	2.0
517.58630	1.7
539.33289	2.9
557.34686	100.0
558.34900	5.7
575.35620	2.5
575.53699	1.8
647.18921	2.1
691.62286	1.8
754.39990	3.9
755.35010	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	754.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
55.01864	5.5
55.05253	2.6
55.05507	34.1
57.03428	18.9
57.07066	3.9
61.02909	6.0
65.03932	4.7
67.05497	83.4
69.03416	5.2
69.07063	18.8
71.05003	3.7
71.08604	2.5
79.05482	55.7
81.03407	13.4
81.07047	63.6
83.04971	6.2
83.08608	11.2
85.02889	7.4
85.06556	3.1
91.03944	2.5
91.05470	37.3
93.07036	50.0
95.04954	27.4
95.08601	38.9
97.02927	3.1
97.06514	6.0
97.10139	15.1
98.23490	4.6
105.04525	4.6
105.07019	21.5
107.04956	11.9
107.08577	30.9
109.06525	5.9
109.10158	22.9
111.08083	2.5
117.07001	16.2
119.08572	15.3
121.06454	4.5
121.10128	19.0
123.08118	3.9
123.11688	4.5
125.09589	13.8
129.06998	5.4
130.05063	2.0
131.08545	16.4
133.10129	11.1
135.08003	5.7
135.11673	9.3
137.13219	2.6
141.06999	3.0
143.08565	4.4
145.10098	12.1
147.11673	4.2
149.13234	8.2
159.11682	11.1
160.00697	2.0
161.13284	3.8
169.10078	4.1
173.11766	3.4
173.13205	4.4
177.12720	4.9
181.10072	2.3
187.11337	2.8
187.14835	2.4
189.11195	10.6
191.77835	2.2
205.12245	3.2
223.13239	49.6
227.12759	8.7
229.01953	2.2
229.14275	11.6
233.22606	2.7
233.43648	2.3
243.20958	5.2
256.89108	2.4
259.20572	2.8
261.22156	10.4
279.15738	4.6
297.16919	100.0
313.27377	5.9
335.25760	69.3
339.98404	2.3
451.49982	2.2
489.35727	6.6
539.37518	2.7
557.38348	46.0
558.37836	3.2
754.41724	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	754.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.05506	31.3
57.03417	15.6
57.07072	6.3
65.03957	5.3
67.05498	72.5
69.07055	21.5
71.04997	7.4
72.32841	4.7
73.54277	4.4
79.05490	86.8
81.03407	11.4
81.07053	77.7
83.04968	15.2
83.08616	9.3
91.05469	100.0
93.07027	92.3
95.04958	27.7
95.08598	48.2
97.06522	9.5
97.10139	5.0
105.07018	89.5
107.04947	5.7
107.08593	35.7
109.06542	8.5
109.10136	16.6
117.07015	25.9
119.08563	71.3
121.10148	25.0
128.06209	5.5
129.06979	28.2
131.08540	25.8
133.10117	54.8
135.11658	19.8
143.08554	21.1
145.10075	26.3
147.11658	64.1
147.12749	8.7
149.09610	5.5
149.13235	5.3
157.10179	8.0
159.11673	17.5
161.13184	28.7
169.10178	6.8
171.11726	32.6
173.13243	12.8
175.14838	13.8
184.07317	7.2
185.13210	9.4
189.12764	6.5
199.14783	5.6
207.13831	15.4
231.21039	6.2
241.19479	31.9
247.25209	5.0
259.20538	58.2
277.21439	5.1
279.15872	11.1
281.17474	58.6
315.23068	7.6
333.24176	46.7
346.27682	5.4
444.06342	4.9
483.34827	6.9
539.37341	74.0
557.37775	16.7
711.84882	7.1
754.43201	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	755.2018
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside
Peak:m/z	Relative Intensity
53.03926	2.2
55.01863	4.6
57.03425	3.2
58.06591	0.5
58.64901	0.6
59.04975	0.9
61.02916	2.4
69.03421	26.3
69.27140	2.4
70.06570	1.1
73.02534	0.8
73.02908	10.8
81.03387	2.8
83.82826	0.5
85.02892	17.0
87.04448	1.2
95.04902	0.4
96.08141	0.5
96.36938	0.4
97.02879	58.6
98.03220	0.9
98.23430	1.0
99.04443	2.1
100.32674	0.4
107.04932	0.6
109.02863	16.9
111.00755	0.8
114.44224	0.4
115.03915	42.6
119.04910	0.5
121.02886	2.2
127.03898	14.8
133.02824	0.5
133.04875	0.8
137.02341	0.7
137.05937	1.1
139.03857	1.1
145.02748	0.7
145.04947	3.9
147.04391	0.8
153.01787	2.6
157.04942	57.6
158.05351	0.8
161.05956	0.9
165.01811	1.9
169.04947	3.0
175.05997	18.3
177.05441	1.1
183.02852	1.1
187.05984	4.3
189.09102	0.7
205.07048	13.0
207.06503	0.5
207.10077	0.5
212.16347	0.6
213.05457	0.8
241.04933	0.6
258.05124	1.0
286.20444	0.5
287.05450	100.0
288.05792	3.5
299.05371	1.0
303.04913	8.4
311.05383	0.9
329.06381	2.0
371.07590	0.7
383.07578	0.5
419.09637	4.3
449.10736	5.1
461.10645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
53.17086	0.5
55.01868	2.5
55.05504	4.7
57.03434	2.9
59.05002	0.9
61.02918	5.7
62.32798	0.7
65.03928	1.6
67.05497	15.6
68.05836	0.9
69.03422	4.5
69.07063	3.7
71.04980	1.0
73.02905	3.4
79.05491	8.1
80.05849	0.8
80.27122	0.6
81.03403	3.6
81.07048	14.0
83.04980	2.3
83.08617	2.1
85.02902	7.4
91.03945	3.6
91.05483	9.1
92.05814	0.8
93.07036	7.6
95.04953	5.1
95.08606	4.1
97.02885	5.7
97.06541	2.4
97.10184	1.2
98.23453	2.2
99.04448	1.0
99.08069	0.7
101.02363	2.0
105.04514	0.8
105.07014	8.3
106.07377	0.8
107.04948	2.8
107.08586	4.6
109.02885	2.4
109.06498	4.2
109.10136	10.6
111.08095	1.4
117.07020	3.1
119.08569	5.6
120.08878	0.7
121.06532	1.7
121.10153	3.1
123.08080	0.8
125.09628	0.9
127.03917	1.9
129.06984	1.0
131.08540	3.4
133.10112	4.1
135.08089	2.3
135.11703	2.3
137.09596	1.4
143.08591	1.2
145.06461	0.6
145.10120	2.8
147.08043	1.1
147.11711	1.5
149.09642	1.3
151.11234	0.6
155.08609	0.8
157.10149	1.3
159.11716	1.0
161.09619	1.0
161.13194	0.7
163.11223	2.2
171.05806	0.6
173.11765	2.6
173.13179	1.3
179.14262	1.4
185.04260	1.1
195.10059	1.1
212.19685	0.6
219.17514	1.2
220.17912	0.7
229.14412	1.5
230.14691	0.7
237.92435	0.5
243.08360	4.2
273.18658	0.9
275.20071	4.8
276.20380	2.2
283.15366	4.2
284.15652	1.4
291.19482	3.0
293.21152	1.1
329.17270	0.7
349.23734	2.0
350.24075	1.2
361.88519	0.6
391.85101	0.7
413.17792	12.2
417.31870	0.7
486.71664	0.9
547.25043	2.5
557.34882	6.6
558.35046	12.3
583.22662	5.0
657.43384	1.3
755.33594	100.0
756.34003	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	756.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
54.35885	0.4
55.01871	0.5
56.30565	0.4
58.06584	0.5
65.82309	0.4
68.65891	0.4
69.63691	1.0
74.54319	0.4
77.03917	4.7
79.05491	0.4
91.05461	1.9
94.06545	0.6
95.04961	22.0
96.05270	0.5
96.08089	0.5
98.23355	0.8
99.98433	0.4
105.03383	99.1
105.04409	8.4
105.07011	2.3
106.03719	1.4
108.08125	0.9
110.06042	1.2
115.05462	0.8
116.36672	0.4
117.07002	0.9
119.04910	0.6
119.08617	0.7
122.06055	0.8
124.07601	2.3
128.06218	0.6
129.07014	1.4
131.04950	0.5
133.06482	1.1
136.07610	0.7
138.05498	0.7
139.66138	0.4
141.06993	0.6
143.08545	1.2
144.08046	1.6
145.05391	0.4
145.06454	2.1
146.09669	1.5
147.06816	0.9
147.08051	0.9
148.07512	1.2
153.06877	0.4
155.08546	1.0
157.06491	0.9
157.08893	3.8
158.09641	1.0
159.08067	0.8
160.07582	3.3
161.08372	0.5
162.09140	0.7
165.07010	0.8
167.08629	0.9
169.10036	0.4
172.07573	1.1
172.11273	0.5
173.08369	2.8
174.09131	3.1
175.07532	1.0
176.07121	0.4
176.10687	0.4
178.07802	0.9
179.08572	1.6
181.10155	0.9
183.07973	0.4
185.08386	0.7
188.10735	0.5
191.08499	0.6
192.09360	1.7
193.10103	2.4
194.10854	0.5
195.11732	0.4
196.11104	0.4
197.09706	0.5
198.09148	0.8
200.10768	0.8
203.08559	2.0
204.09332	2.7
205.10141	1.7
206.10867	0.9
207.11732	1.4
209.13286	0.5
211.09904	0.6
212.10716	1.5
215.08585	1.4
216.09329	3.6
217.10078	1.2
218.11026	0.8
219.08160	0.6
219.11699	3.5
221.09644	0.5
221.13274	1.7
223.11253	0.8
224.10725	0.9
228.10168	0.6
229.10295	0.9
231.11722	2.4
231.98326	0.4
232.09027	0.4
232.11237	0.9
233.09535	0.9
233.13263	0.6
234.10664	0.8
235.11194	1.1
237.12770	0.9
238.12331	0.7
246.12871	0.8
247.11230	1.6
247.13580	0.7
248.10709	0.7
249.12737	1.7
250.12372	1.1
257.12027	0.6
259.11169	1.6
260.14313	0.9
262.15912	2.0
264.13898	0.8
265.12250	0.6
272.14386	1.3
274.12350	1.9
275.12952	1.0
276.13849	1.1
278.11832	0.5
278.15414	1.2
279.16217	0.6
280.16937	0.7
288.13748	2.2
289.14478	1.0
290.12262	0.9
290.15317	7.9
290.18222	0.6
293.14069	0.6
300.13965	0.5
302.11490	0.5
306.14978	1.7
308.16379	3.3
318.14767	2.5
336.16028	2.4
350.17633	0.9
354.16940	1.2
378.17133	1.0
412.18808	0.8
428.20383	0.6
470.21484	1.2
472.21118	1.1
500.20816	1.4
532.23145	0.5
560.23004	0.8
622.24341	1.4
634.26587	3.1
645.43549	0.4
693.05920	0.5
756.30011	100.0
757.30219	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	756.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.7
55.05502	17.0
57.03427	9.5
59.04985	1.4
59.71493	1.2
60.32455	1.3
64.62490	1.1
65.03934	1.9
67.05495	21.7
69.03423	3.3
69.07068	6.6
69.62396	2.2
71.04975	2.8
72.84510	1.1
79.05477	23.5
81.03401	55.4
81.07038	19.2
83.04981	5.6
83.08609	15.6
85.02932	1.4
85.06517	2.3
91.05468	17.7
93.07027	17.3
95.04957	24.9
95.05528	2.3
95.08584	13.0
97.02932	1.7
97.06510	4.0
97.10145	18.6
105.03368	1.5
105.07021	13.7
107.04946	17.1
107.08573	14.3
109.06486	9.1
109.10130	7.7
111.08080	8.0
115.05435	2.8
117.07000	5.4
119.08577	11.6
121.06477	11.4
121.10121	8.3
123.04415	2.4
123.08052	4.9
125.09624	13.7
129.06976	9.3
130.25172	1.3
131.08539	10.5
133.06488	5.5
133.10114	5.6
135.08028	6.3
135.11708	2.0
137.05991	1.4
137.09633	2.1
141.06927	1.5
142.07747	1.4
143.08559	2.7
145.06439	7.7
145.10101	4.3
147.04442	1.6
147.08060	5.2
147.11661	7.1
149.09590	4.9
149.36296	1.3
153.09097	3.2
153.12737	1.9
157.06511	1.5
157.10104	8.0
159.08139	1.6
161.09592	2.3
161.13173	1.3
163.11177	6.1
165.12692	2.0
167.10677	1.4
171.08084	1.8
171.11652	2.1
173.09624	2.2
175.11165	8.5
189.11243	7.0
189.12711	2.3
193.12209	17.9
197.13300	1.5
199.11287	1.5
205.12224	1.6
211.13322	1.5
215.14381	3.1
217.12184	2.3
219.13757	2.9
227.12747	3.4
231.13774	1.5
233.15338	4.8
237.15009	1.3
249.14935	2.0
255.13754	2.9
261.15024	1.6
267.15842	37.1
268.16187	1.8
273.14841	8.5
301.18228	1.4
304.34509	1.3
339.23087	2.8
349.21567	4.8
357.24124	3.1
367.22635	16.9
385.23727	23.9
403.24591	9.9
416.36551	1.5
441.26523	9.0
459.27338	100.0
460.27621	7.1
477.28397	94.2
478.28857	6.6
491.29935	10.2
501.27502	1.9
509.31580	6.1
541.34058	1.4
548.23547	1.3
567.29083	3.4
585.28528	1.6
673.50061	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01869	12.2
55.05509	39.7
57.03440	19.7
59.04979	3.7
61.02921	6.6
64.81947	3.9
65.03935	5.8
67.05495	55.5
69.03442	7.4
69.07065	18.1
71.04989	5.5
79.05489	72.0
81.03410	17.2
81.07047	72.4
83.01331	5.9
83.04977	15.8
83.08202	5.5
83.08604	28.1
85.02885	9.9
85.06528	6.0
91.05470	77.0
93.07043	72.1
95.04977	23.4
95.08601	40.7
97.06545	9.1
97.10153	4.8
98.23541	6.5
99.04426	6.3
105.07014	70.0
107.04962	16.7
107.08574	42.2
109.06501	18.2
109.10149	12.1
111.08075	6.6
117.06986	29.7
119.08580	76.8
121.06545	8.1
121.10121	32.8
123.08042	6.7
125.09653	7.9
129.06996	13.9
130.07816	5.1
131.08556	35.8
133.10107	53.8
135.11678	25.4
137.09622	5.0
143.08592	12.2
145.10143	31.7
147.08049	4.7
147.11655	38.3
149.09644	4.6
149.13263	9.8
151.11185	4.4
155.08574	4.5
157.10132	10.5
159.11693	20.3
161.09654	5.0
161.13222	31.8
163.11168	25.8
167.08730	3.7
169.10194	5.2
171.11670	16.0
173.13240	14.0
175.14836	11.7
183.11610	5.0
184.07280	5.9
185.13234	12.3
189.11177	7.0
193.12164	8.2
197.13248	4.8
199.14752	8.6
209.11694	8.1
211.13263	5.0
213.16418	4.3
224.78026	3.8
227.12833	14.9
229.00160	4.8
241.19598	18.9
257.18851	5.8
259.20557	75.7
267.15955	7.2
275.20105	13.1
283.15363	65.2
284.15707	3.9
285.16922	10.0
297.22122	11.4
315.23105	6.8
333.24176	47.2
349.23767	7.5
449.30286	7.2
467.31601	6.0
485.32224	5.9
523.34094	10.1
541.35205	100.0
542.35144	6.8
559.36230	31.8
666.27759	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	756.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	3.4
53.03938	2.6
55.01872	4.3
55.05249	1.5
55.05500	18.6
55.05745	1.8
57.03428	11.1
57.07059	1.9
59.04988	2.9
61.02922	4.5
64.42139	0.8
65.03925	2.6
67.05494	39.4
69.03427	2.1
69.07054	7.9
69.62229	1.2
69.62576	3.1
71.01332	2.2
71.04987	1.2
77.03916	1.0
79.05029	1.8
79.05479	27.9
81.03412	4.0
81.07043	46.6
83.04951	3.7
83.08604	14.1
85.02901	3.2
85.06538	1.9
86.09694	1.0
91.03944	1.6
91.05461	30.0
93.03415	1.0
93.07031	38.4
94.07343	1.1
95.04941	8.3
95.08588	28.2
97.02872	6.4
97.06509	4.9
97.10150	3.2
99.00787	13.4
99.01340	1.3
99.04415	0.9
103.05405	1.0
104.88649	0.9
105.04500	1.3
105.07014	22.7
107.04932	5.0
107.08576	21.9
107.09248	1.7
109.02867	9.3
109.06506	4.8
109.10127	12.6
111.04457	1.5
111.08076	3.8
113.05991	1.0
114.71437	0.8
115.03915	2.0
117.06988	7.0
119.04918	0.9
119.08570	13.1
121.06485	7.9
121.10118	11.8
123.08030	1.9
123.11703	4.1
125.09580	0.9
127.03857	2.8
128.06183	1.6
131.08546	8.0
133.06461	2.0
133.10101	34.8
135.08040	1.6
135.11668	9.6
137.05971	1.1
137.09589	2.2
137.13248	1.4
139.07494	2.2
143.08549	5.9
145.10123	5.7
146.07140	0.9
147.11696	2.9
149.13232	5.7
151.11150	10.2
151.14790	0.9
157.10115	1.0
159.11684	3.0
161.09604	16.9
161.13243	3.7
163.14786	2.4
171.08022	2.8
171.11760	0.9
173.13245	3.1
175.14806	1.0
179.10623	7.9
180.44061	1.0
184.07266	2.9
187.14830	2.2
189.09114	8.5
197.11658	1.6
201.16234	1.1
207.10147	3.7
225.11211	14.6
243.12234	4.1
243.21042	3.8
261.22076	15.6
277.21646	1.2
279.23138	1.3
281.13727	2.7
291.23242	0.9
299.14835	100.0
300.15195	2.5
315.23166	2.0
317.24692	2.8
335.25742	79.7
336.26056	2.5
421.31158	1.2
439.31995	1.6
467.31293	4.3
485.32513	1.4
513.35504	2.0
531.36761	1.8
541.35162	6.9
559.36133	30.6
560.36652	2.0
577.36829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.3
53.03934	2.9
55.01863	2.9
55.05248	1.6
55.05503	20.4
57.03427	13.0
57.03691	1.3
57.07071	1.1
59.04988	2.7
61.02917	5.1
65.03914	2.2
67.05495	49.1
69.03415	3.0
69.07062	11.5
71.01352	1.4
71.04990	2.0
71.20475	1.0
73.02886	1.2
79.05480	32.5
81.03408	3.9
81.07044	52.3
83.04974	2.2
83.08603	12.5
85.02879	4.1
85.06537	3.2
91.05466	27.9
93.07031	44.0
95.04945	8.5
95.08593	33.7
95.09209	1.9
96.08032	0.8
97.02861	5.8
97.06525	3.2
97.10158	3.5
99.00793	17.3
99.04446	1.2
99.08056	2.3
103.05458	1.6
105.03399	4.7
105.04496	1.5
105.07014	23.3
107.04924	5.7
107.08578	25.1
109.02860	9.1
109.06504	3.9
109.10140	18.0
111.08073	4.0
115.03915	2.5
117.07014	6.8
119.04899	1.0
119.08560	14.5
121.06507	7.4
121.10117	13.3
123.04415	1.8
123.08046	3.2
123.11687	5.6
125.09571	1.9
127.03918	2.3
128.06192	1.4
129.06967	2.2
131.08539	8.5
133.06496	2.0
133.10106	37.4
135.08078	2.6
135.11681	10.5
137.05933	1.3
137.09555	2.0
137.13120	1.1
139.07523	2.6
143.08549	4.2
145.06471	1.1
145.10129	6.7
147.07982	1.1
147.11681	5.8
149.13220	5.0
151.11182	10.7
159.11685	4.5
161.09590	17.5
161.13174	2.2
163.11185	1.1
163.14825	2.1
171.08025	2.7
171.11696	1.2
173.13219	5.2
175.14871	1.7
179.10649	9.4
184.07356	2.1
187.14813	2.4
189.09099	8.4
197.11682	3.2
207.10164	3.3
225.11197	14.6
227.12700	1.1
243.12267	3.8
243.21060	4.0
259.20566	1.5
261.22086	18.8
271.56561	0.9
277.21649	1.7
281.13757	5.1
299.14841	90.3
300.15292	2.6
315.23264	3.0
317.24704	5.0
335.25742	100.0
336.26053	3.2
349.23795	1.0
457.32745	1.1
467.25284	1.0
467.31332	5.2
513.35394	2.4
515.36920	1.5
531.36688	1.2
541.34985	7.0
559.36230	48.7
560.36401	4.2
577.37018	2.0
689.10425	1.1
756.29608	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3527
Annotation	Michellamine B
Peak:m/z	Relative Intensity
55.01859	0.8
55.05505	3.1
57.03426	2.0
59.04997	0.6
61.02927	5.2
62.98252	0.8
67.05500	10.8
69.03429	2.8
69.07073	1.4
69.68102	2.4
71.04993	0.9
73.02908	4.5
79.05501	3.0
81.03409	3.0
81.07054	5.6
83.08617	1.2
85.02903	4.9
91.03950	3.0
91.05422	3.2
93.07036	3.8
95.04969	2.3
95.08604	2.5
97.02892	3.9
97.06536	0.8
99.04458	1.8
101.02394	2.1
105.07035	2.5
107.04958	1.4
107.08611	2.3
109.06544	1.0
109.10137	5.8
111.08101	0.7
117.35862	0.6
119.08572	2.4
120.80316	0.6
121.10101	1.3
123.08087	1.5
125.09618	1.0
127.03908	1.7
129.06993	1.0
131.08566	1.2
133.10150	0.7
135.11734	0.8
137.09590	0.9
143.08545	1.0
143.25476	0.7
145.10129	1.1
149.09634	1.0
155.10718	1.1
157.10075	0.7
159.07863	0.6
159.11653	0.8
163.11154	1.2
173.11815	1.4
179.76990	0.6
182.24831	0.7
184.07321	1.0
195.09958	1.3
197.36752	0.6
229.14345	1.2
239.09550	0.7
243.08403	4.0
277.90717	0.7
299.06119	0.8
331.18768	1.4
413.17722	9.1
459.22757	0.8
465.11655	1.5
542.35480	1.2
549.26593	4.3
585.24463	2.7
721.37598	1.9
757.35254	100.0
758.35565	10.8
769.99615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01864	2.4
55.05508	3.4
57.03439	2.7
61.02929	4.8
67.05496	10.7
69.03426	3.1
69.07062	5.0
71.01347	1.4
73.02927	2.9
79.05483	9.6
81.03403	3.6
81.07049	9.7
83.04993	1.9
83.08622	1.6
85.02911	3.9
86.09700	1.0
91.03954	1.6
91.05441	8.8
93.07026	10.3
95.04983	2.4
95.08580	6.3
97.02893	3.0
97.06522	2.0
97.10155	1.4
101.02389	1.3
105.03373	2.3
105.06999	6.5
107.04962	2.6
107.08582	5.5
109.10141	1.8
111.08083	1.4
117.07032	2.2
119.08589	5.4
121.09340	0.9
121.10144	3.4
123.08055	1.7
127.03890	1.1
129.06947	1.3
131.08565	2.7
133.10141	3.0
135.11690	1.7
138.27296	0.9
143.08609	1.7
145.10182	2.3
147.11655	4.4
149.09589	1.2
159.11691	2.6
161.13280	1.6
163.11247	0.9
167.48477	1.0
171.11722	1.5
179.14368	1.6
184.07346	3.0
203.37790	0.9
229.14183	1.0
243.08481	3.2
247.13039	1.5
275.20129	1.6
283.15277	1.3
288.13708	1.0
299.06314	1.0
299.15131	1.6
301.16483	1.8
301.91934	1.0
306.14828	2.0
315.19376	3.7
335.25821	3.1
349.23895	1.2
371.22083	1.1
465.20941	11.0
533.27002	9.0
543.36316	1.7
548.22791	1.5
560.36511	1.0
561.38239	1.1
757.41193	100.0
758.41583	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	758.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	16.1
55.05503	20.5
57.03432	15.4
58.06607	1.6
61.02908	4.9
65.03928	3.6
67.05150	2.2
67.05497	30.1
69.03413	6.2
69.07059	21.9
69.71214	3.2
69.71603	2.6
71.04967	3.2
73.04740	2.0
77.03918	2.0
79.05483	66.1
79.05946	3.3
81.03403	18.2
81.07048	44.9
83.01316	9.5
83.04963	12.8
83.08620	11.6
85.02888	6.7
85.06522	2.3
91.05457	83.2
92.68067	1.3
93.07034	42.4
95.04951	18.7
95.08598	11.1
97.02882	5.0
97.06532	7.7
97.10137	10.6
99.04416	1.9
102.05898	1.7
103.05439	2.8
105.03388	8.5
105.04523	3.3
105.07017	23.4
106.03724	1.7
107.04933	16.1
107.08580	38.9
109.02867	4.9
109.06498	10.4
109.10134	5.6
110.15599	1.5
111.04415	5.0
111.08072	4.5
115.05427	10.3
117.06165	2.6
117.07003	55.6
119.04930	2.4
119.08568	18.7
121.06467	9.0
121.10139	6.2
123.04420	2.6
123.08086	6.2
123.11669	2.3
125.09625	11.7
127.03868	2.1
129.06941	3.9
131.08545	8.9
133.06493	3.1
133.10115	14.4
135.08037	68.2
135.11656	4.0
137.05981	1.9
137.09590	6.6
141.06932	1.6
143.08554	5.7
145.06432	7.0
145.10118	8.3
147.08026	4.1
147.11650	2.5
149.09619	7.4
151.07516	1.6
151.11209	2.3
153.09091	4.5
153.12729	4.2
155.08571	3.1
157.10136	3.7
159.08060	5.6
159.11684	2.6
161.09566	9.6
161.13289	3.0
162.52568	1.4
163.07523	17.6
163.11153	7.9
165.09056	1.7
167.05511	3.0
171.08147	1.6
173.09615	4.4
175.11169	3.2
179.10629	2.8
181.08601	3.6
181.12123	2.2
187.11174	1.6
189.11169	6.7
189.12712	2.7
191.10686	2.9
193.12241	15.4
199.09529	2.8
207.23347	1.5
211.13181	2.4
211.33902	1.7
215.14322	3.9
227.12691	9.1
230.89049	1.5
243.13812	1.7
253.14265	12.4
255.12250	100.0
261.18619	3.1
271.16922	6.4
273.18420	7.4
273.22034	2.3
281.29602	1.6
283.15274	10.9
289.17947	19.9
291.16595	1.5
291.19534	6.9
299.06110	4.4
307.18918	5.3
351.17889	2.0
353.19577	8.2
359.02710	1.7
363.21631	7.7
365.23093	4.2
381.22690	59.7
382.22980	2.7
423.23721	1.8
425.21793	2.5
447.23508	1.7
525.28491	2.3
543.28351	11.0
561.30481	82.1
562.30859	6.2
758.30316	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	758.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
53.44760	0.8
55.01865	5.8
55.05500	18.7
57.03431	12.4
57.07071	1.2
61.02921	2.8
65.03924	2.5
67.05495	37.3
69.03413	2.5
69.07059	19.6
70.16863	1.5
71.01345	3.1
71.04996	4.8
71.05358	0.7
77.03964	0.9
79.05478	40.0
81.03400	9.3
81.07043	33.6
83.04964	10.2
83.08611	8.6
85.02897	2.9
85.06529	2.4
86.09692	5.5
91.05451	21.8
91.05951	1.0
93.07029	43.9
95.04955	12.1
95.08592	9.7
97.02879	3.1
97.06516	13.1
97.10150	13.5
99.00787	1.0
99.04433	1.2
99.08099	2.3
103.05437	1.4
105.03411	1.2
105.04536	1.2
105.07013	13.4
107.04971	6.6
107.08578	29.5
109.02862	4.5
109.06497	6.5
109.10132	7.4
111.04437	3.2
111.08050	4.5
115.05466	1.2
117.06997	9.9
119.04967	0.9
119.08559	12.7
120.08114	1.6
121.02852	1.3
121.06461	5.8
121.10135	7.1
123.04401	2.1
123.08063	2.5
123.11690	1.2
125.09622	6.5
128.06197	1.6
129.07001	2.8
131.08560	5.1
133.06494	1.9
133.10088	10.0
135.04471	0.9
135.08017	12.5
135.11665	38.8
136.65450	0.8
137.05978	1.3
137.09587	4.5
139.07523	1.1
143.08531	2.4
145.06467	3.7
145.10115	11.5
147.08057	3.0
147.11676	2.5
149.09579	1.9
151.07568	0.9
151.11154	1.9
153.09085	2.3
153.12755	2.7
154.15878	1.1
157.10115	1.9
159.08052	3.6
159.11697	1.8
161.09599	5.3
163.07536	5.2
163.11163	9.1
164.11545	1.0
165.09019	0.9
167.05548	1.1
173.09676	2.3
175.11176	1.8
179.10674	2.4
181.12183	8.0
183.11719	0.9
184.07344	1.4
187.11234	1.2
187.94861	1.0
189.09163	1.8
189.11182	3.2
191.10680	1.3
193.12216	14.3
199.13243	1.8
199.18004	1.2
201.12883	0.9
206.74007	0.9
225.11005	0.9
227.12610	5.5
243.17432	2.2
253.14346	1.1
255.15862	75.0
256.16327	2.5
261.18457	2.8
271.16956	4.8
275.20026	0.9
283.15427	2.4
289.17929	19.4
289.21017	1.4
299.05920	2.1
307.18918	5.4
319.92429	1.0
351.21494	1.8
363.21625	6.3
381.22672	36.1
382.22812	2.2
402.63696	1.1
425.24896	1.1
435.27521	1.8
447.27191	2.9
469.29822	1.1
525.31903	1.8
543.33087	18.0
544.32568	1.1
561.34113	100.0
562.34436	7.9
759.38849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01856	7.1
55.05252	1.8
55.05503	27.7
57.03167	2.3
57.03430	22.2
57.07069	3.4
59.04985	3.2
61.02913	4.6
62.94881	1.2
65.03918	2.6
67.05496	100.0
69.03414	4.9
69.07057	19.0
71.01341	1.4
71.04977	7.5
73.02914	2.1
73.04737	2.8
77.03919	2.0
79.05482	63.8
81.03408	17.4
81.07047	73.3
81.97662	1.3
83.04977	9.7
83.08603	15.3
85.02892	10.2
85.06521	5.9
86.09679	1.9
87.04435	1.5
91.03937	1.5
91.05450	40.6
93.07034	71.7
94.07318	1.4
95.04958	13.4
95.08590	45.7
95.09208	2.2
97.02885	8.7
97.06522	8.8
97.10130	5.6
98.23410	4.1
99.04431	1.9
99.08070	3.4
101.79897	1.1
105.04551	2.1
105.07018	21.3
107.04938	10.8
107.08575	32.6
108.25579	1.3
109.02881	1.3
109.06494	7.3
109.10139	50.2
110.10493	1.4
111.04431	9.4
111.08067	6.3
111.11698	1.5
115.79642	1.4
117.07016	15.9
119.08558	22.2
121.06468	4.9
121.09260	1.8
121.10125	37.3
123.04335	1.4
123.08060	3.7
123.11688	6.0
125.05969	1.6
125.09615	4.6
129.06999	2.4
130.07765	1.3
131.08548	18.1
133.10117	16.0
135.08043	4.4
135.11681	27.2
137.09596	3.8
137.13228	1.4
139.11133	2.8
141.06981	2.1
143.08525	5.1
145.06483	1.6
145.10103	21.2
147.11665	7.6
149.09598	5.4
149.13225	9.5
153.12744	6.7
155.08548	3.1
155.10568	3.2
157.10069	2.7
159.11649	12.4
161.09599	2.4
161.13240	5.2
163.11143	18.5
163.14810	2.6
169.10081	2.7
171.11697	2.4
173.09691	1.7
173.11687	11.3
173.13220	7.8
175.14793	2.8
177.12686	2.7
181.12177	7.4
183.11775	2.4
184.07304	7.1
185.13152	2.4
187.11201	2.6
187.14790	2.2
189.11154	2.7
191.10623	8.7
205.12169	1.7
209.11638	11.4
215.17924	13.6
223.13226	7.5
227.12723	12.8
229.14296	44.5
233.18997	14.1
234.19051	1.4
245.13857	3.8
259.20612	2.3
261.22018	7.5
265.14258	1.6
279.15897	3.0
283.15378	20.9
297.16910	12.1
299.06015	3.3
301.16431	31.0
307.22629	53.9
308.22864	3.8
317.24567	1.8
335.25757	48.9
336.25989	2.4
451.31802	1.5
461.32556	25.1
511.33914	2.2
525.35571	3.5
529.35181	9.7
543.36664	18.8
544.36505	1.8
547.36401	1.8
561.37787	33.7
562.37616	2.7
759.40314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01863	12.0
55.05502	34.2
57.03431	30.1
61.02922	10.1
65.03937	7.8
67.05498	100.0
69.03416	7.6
69.07052	33.4
71.04987	14.7
71.38856	4.3
73.04733	10.6
79.05483	80.5
81.03404	57.6
81.07049	92.9
83.04968	28.8
83.08614	29.1
85.02882	21.9
85.06528	11.3
91.05433	65.4
93.07033	77.5
95.04971	38.6
95.08592	40.9
97.02870	11.2
97.06516	13.4
97.10166	11.1
99.08089	4.4
105.07020	61.1
107.04943	13.2
107.08577	51.7
109.06499	17.9
109.10165	22.5
109.23116	4.3
111.08068	13.8
113.05999	6.3
115.05406	6.0
117.07007	24.0
119.08566	57.1
121.06522	5.3
121.10146	42.6
123.08065	10.5
123.11710	5.8
128.06241	4.6
129.07016	18.3
131.08536	30.7
133.06413	5.5
133.10115	50.1
135.11671	27.5
137.09642	8.8
142.07730	5.2
143.08598	8.4
145.10133	22.5
147.08078	5.6
147.11694	32.9
149.09605	11.3
149.13264	10.2
151.11267	6.5
157.10165	22.5
159.11681	21.2
161.13260	7.1
163.11154	8.6
165.12646	4.5
167.05539	14.5
171.11687	10.0
173.13332	10.6
175.11208	15.7
184.07327	10.3
185.13254	6.9
187.14771	9.6
193.12201	48.8
199.14716	5.4
211.13260	46.8
225.04097	7.0
259.20511	31.0
267.15897	13.2
269.17188	6.9
271.15399	5.8
273.18619	5.3
275.19995	12.4
277.21622	21.0
285.16913	50.2
291.19547	12.5
299.06149	11.3
333.24063	27.4
351.25156	39.4
359.02798	5.3
503.33521	13.4
529.34967	17.1
543.36633	21.8
561.37897	44.4
701.37177	6.0
758.36987	11.0
759.38538	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	758.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01870	10.1
55.05254	2.3
55.05504	29.4
57.03430	18.9
57.07053	3.0
59.04994	4.4
61.02911	6.2
65.03934	5.5
67.05494	100.0
69.03407	5.1
69.07059	21.5
69.18311	1.8
70.55480	3.9
71.01322	3.0
71.04971	8.4
73.02920	2.2
73.04715	1.9
74.27183	1.7
75.11077	2.1
77.03910	2.5
78.37998	1.9
79.05482	65.6
79.89909	2.1
81.03410	14.5
81.07043	79.1
83.04967	18.1
83.08609	13.8
85.02887	7.7
85.06533	5.1
86.09701	4.4
91.05443	41.0
93.07030	64.7
95.04951	19.9
95.08589	53.0
97.02873	10.2
97.06496	10.3
97.10143	4.7
99.08076	2.6
103.05431	1.8
105.04510	4.2
105.07022	28.4
107.04939	17.3
107.08573	42.8
109.02848	2.4
109.06493	8.0
109.10130	32.6
111.04431	14.4
111.08056	8.5
113.09610	2.7
115.05408	2.3
117.07009	16.3
119.08560	28.3
121.06490	4.9
121.10114	34.4
123.04351	2.0
123.08035	5.4
123.11699	5.5
125.09606	2.6
129.06963	4.0
130.07820	2.5
131.08528	21.5
133.10098	18.8
135.08026	3.9
135.11676	28.9
137.09608	3.4
137.13217	2.3
139.11176	2.5
141.06941	1.9
143.08536	6.4
145.06418	3.9
145.10100	26.5
147.08020	5.4
147.11699	7.4
149.09586	4.7
149.13206	9.9
151.11179	2.9
153.12729	7.3
155.08536	4.7
157.10080	4.4
159.11649	9.8
161.13249	6.5
163.11166	22.0
163.14767	3.1
167.05553	3.1
171.11646	3.7
173.09602	6.8
173.11798	2.3
173.13217	4.5
177.29619	1.8
181.12202	10.1
184.07329	7.7
185.13283	3.3
187.14742	4.5
191.10652	9.6
195.58693	2.3
199.14714	2.3
209.11697	25.2
215.18019	2.8
227.12779	13.0
229.14299	11.5
233.18953	3.2
243.21025	3.8
259.20599	2.6
261.22189	11.6
265.14282	2.2
270.27899	2.0
273.22083	2.9
283.15369	47.8
284.15616	2.2
297.16974	2.8
299.06235	2.2
299.14670	2.1
300.15088	2.1
301.16357	46.4
307.22595	14.0
309.68228	2.0
335.25748	84.9
336.26096	4.5
355.06766	2.3
357.93463	2.2
373.23611	1.9
433.31149	3.3
451.31955	5.9
461.32556	7.4
469.32828	4.2
487.33554	2.6
525.35620	11.9
529.34857	3.2
543.36731	60.9
544.37195	3.5
561.37842	39.2
562.37915	2.4
758.44135	2.8
759.42407	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	758.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	9.9
55.05509	33.0
57.03422	19.4
61.02920	12.7
63.49112	4.6
67.05496	86.9
69.03422	9.9
69.07040	25.2
69.77884	8.9
69.78227	5.7
71.04968	13.8
73.02907	8.5
75.33621	4.0
79.05483	71.7
81.03408	58.5
81.07046	83.9
83.01289	3.7
83.04966	18.0
83.08616	31.1
83.58884	3.8
83.64270	4.2
85.02884	26.1
85.06543	6.6
86.09696	27.0
91.05426	77.8
92.72373	3.9
93.07032	81.2
95.04949	38.5
95.08593	44.3
97.02886	10.2
97.06519	15.1
97.10165	7.1
98.22676	4.8
99.04444	4.3
101.02358	4.6
105.04475	4.2
105.07005	74.8
107.04932	21.4
107.08571	38.2
109.06479	11.0
109.10133	28.4
111.08086	10.6
113.05984	5.1
117.07016	27.0
119.08559	68.5
121.06484	9.9
121.10114	28.9
123.08083	8.7
125.09594	5.3
129.06973	18.8
131.08536	35.1
133.10100	40.3
135.08047	8.4
135.11696	18.9
137.09612	8.3
143.08568	11.2
145.10129	25.2
147.08066	8.5
147.11655	34.5
149.09596	14.6
149.13141	5.3
152.58347	4.7
157.10094	21.7
159.11629	22.6
161.13251	14.4
163.11192	18.3
167.05582	11.0
169.10120	9.8
171.11681	9.2
173.13362	7.3
175.11201	12.4
175.14851	7.2
176.17706	4.6
178.36334	4.6
184.07303	22.3
185.13242	7.4
189.11075	6.6
193.12236	33.4
199.14772	5.3
211.13232	45.8
220.40221	5.0
227.12730	5.0
231.21133	4.3
241.19444	16.3
247.16911	6.1
253.14276	8.4
259.20526	37.6
267.15894	17.6
271.15253	4.6
273.18314	5.3
275.20047	7.6
283.15369	14.7
285.16919	41.8
291.19330	8.1
299.06070	14.1
315.23254	8.3
333.24207	39.2
354.18408	4.7
359.02823	5.1
365.23044	4.7
368.25146	6.9
426.42780	4.9
451.31894	6.8
525.35522	16.8
529.31476	7.9
543.36902	54.9
561.34149	18.1
670.06958	5.2
758.22815	6.6
758.35431	100.0
759.36060	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	759.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	6.9
59.57744	0.7
74.83048	0.8
77.54769	0.9
84.67786	0.9
84.96043	3.8
89.65902	0.8
91.05797	0.9
98.97568	50.9
110.97555	22.6
116.98608	21.6
124.99087	1.7
128.63510	0.9
128.98589	21.1
128.99500	1.5
131.00192	1.0
134.99648	4.3
136.06271	1.0
140.98573	6.0
142.68396	1.0
143.00143	10.6
143.01003	0.9
146.99643	10.8
152.98613	3.3
158.99637	23.3
161.01205	8.0
165.00728	0.9
170.99620	35.3
173.01154	1.3
174.99149	1.3
177.00699	16.4
179.02249	1.4
182.99617	17.0
189.00687	34.8
194.99712	1.6
195.01668	1.1
201.00681	55.5
203.02238	1.5
207.01773	4.0
212.02060	1.0
213.00648	4.3
219.01740	45.8
231.01704	5.5
237.02798	24.2
237.05232	1.2
243.01747	23.4
254.99422	2.8
255.04010	1.6
261.02786	100.0
262.03198	1.9
273.00333	2.5
273.02847	7.2
279.03836	48.0
291.03876	14.4
291.88330	1.1
303.04132	2.5
309.04871	1.1
321.04871	34.4
321.08636	1.8
333.04971	3.9
351.05887	10.8
363.05911	1.2
381.06927	15.1
399.08102	14.1
417.04657	86.6
418.05124	1.7
435.05688	10.5
441.09109	92.0
442.09497	4.7
453.08932	2.2
458.07187	1.1
471.10187	2.4
501.11087	4.4
543.12183	3.1
723.18317	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	759.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
55.01850	0.7
57.03423	1.6
57.18467	0.2
61.02910	1.3
64.60126	0.2
67.05499	0.2
69.03422	2.5
71.01333	0.6
73.02904	7.5
81.03414	0.4
85.02396	0.4
85.02895	5.5
87.04458	0.4
91.03934	0.2
97.02879	3.8
99.01473	0.2
99.04459	0.3
109.02869	0.7
111.00763	0.7
115.03917	1.8
121.02847	1.0
127.03896	1.8
132.94321	0.2
133.04985	1.5
137.02316	2.5
137.05930	0.2
145.04921	1.7
149.02296	0.2
153.01787	2.3
163.03812	0.3
163.05949	0.2
164.64439	0.2
165.01779	1.5
173.05969	0.2
183.02893	0.6
195.02927	0.2
201.05446	0.9
205.05080	0.3
207.06551	0.3
214.41913	0.2
219.06503	0.3
229.04929	3.1
247.06007	0.8
257.04425	2.3
274.04785	0.6
275.05627	0.2
285.03857	1.0
299.06076	0.2
303.04935	100.0
304.05264	4.3
345.06073	0.5
369.05844	0.3
435.09106	0.4
448.05206	0.2
465.10226	19.7
466.10788	1.0
505.15436	0.4
557.44128	0.2
711.48425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01860	1.5
55.05501	3.7
57.03428	2.7
61.02909	3.9
65.03951	0.5
67.05494	12.0
68.05840	0.5
69.03417	2.8
69.07062	2.5
69.17520	2.7
71.04977	1.2
71.07793	0.4
73.02900	2.8
75.42565	0.4
79.05482	11.1
80.05817	0.9
81.03404	5.3
81.07043	10.0
82.07384	1.1
83.04971	2.6
83.08616	1.9
84.05286	0.6
85.02899	4.1
91.03936	2.6
91.05453	8.5
92.05758	0.5
93.06445	0.8
93.07026	11.4
93.07589	0.8
94.07394	0.8
95.04946	3.8
95.08593	5.2
97.02879	3.2
97.06512	1.2
97.10175	1.0
98.23518	0.7
101.02378	1.2
105.04541	0.9
105.07013	6.0
107.04950	1.5
107.08576	4.8
108.08901	0.7
109.02894	0.6
109.06508	1.3
109.09495	0.4
109.10125	2.6
111.04456	1.2
111.08096	1.1
116.97520	0.5
117.06985	2.8
119.08562	5.0
120.08937	0.6
120.92721	0.5
121.06477	0.7
121.10126	4.3
122.10416	0.5
123.11686	0.7
124.37859	0.4
127.03909	1.1
129.05423	0.5
129.07037	1.9
131.08556	3.4
133.10121	2.3
135.11684	2.7
143.08574	1.4
145.10126	2.7
146.10461	0.8
147.11674	3.5
149.09593	1.0
149.13266	0.9
153.12778	0.4
157.10107	0.8
159.11655	1.0
161.13263	1.1
163.11082	2.2
163.14784	0.6
171.11700	1.3
173.09604	1.0
181.12256	0.5
184.07431	0.6
185.04285	0.7
191.10715	1.0
193.12228	0.7
203.05431	0.5
206.85332	0.5
209.11662	1.0
227.12856	0.9
243.06104	0.6
243.08212	2.5
247.13092	1.1
259.20581	0.8
261.22156	0.9
265.14398	1.2
266.14777	0.7
267.15860	2.3
283.15341	3.3
284.15833	1.9
299.06549	0.6
301.09085	0.5
301.16461	2.5
302.16766	1.0
303.15775	0.5
335.25787	4.5
336.26114	2.7
373.11105	0.7
465.20932	9.1
526.36432	0.5
527.37488	1.3
535.28735	6.4
537.22961	1.2
543.36798	1.0
544.37042	2.1
545.38306	1.2
551.24921	0.6
561.37842	0.8
562.38324	3.8
621.31866	0.6
658.96631	0.4
665.85168	0.5
731.07928	0.5
752.09015	0.5
759.42682	100.0
760.42932	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	760.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
56.05015	1.1
58.06327	0.7
58.06591	8.4
65.03920	0.7
67.05487	0.6
69.17719	0.9
69.18127	2.2
70.06569	0.5
71.04990	0.9
72.08139	0.9
75.04465	2.6
77.03928	2.9
79.05478	1.9
81.03394	0.6
81.07043	1.6
82.06567	1.2
83.39881	0.5
84.08124	0.7
85.02908	1.3
88.07652	0.5
88.11669	0.4
91.05483	3.6
91.99163	0.4
93.07055	0.7
94.06553	0.5
95.04951	13.0
95.05525	1.0
96.08139	0.8
97.06524	0.8
98.06091	0.5
98.22672	1.1
102.09136	0.8
103.05453	0.7
105.03377	80.5
105.04510	3.9
105.07021	2.0
106.03671	1.0
106.06464	0.5
107.04931	0.9
108.08095	2.0
109.06506	1.8
110.09661	2.7
111.08045	3.6
113.08366	0.6
115.05451	1.1
117.06998	3.4
118.06517	0.6
119.04935	0.7
119.08546	0.7
121.06480	1.5
121.08883	0.7
122.09659	1.5
123.04411	0.9
128.06209	0.6
129.06992	4.0
130.07837	0.5
131.04906	0.8
131.07300	0.4
131.08502	2.6
133.06505	0.7
134.09680	1.3
135.04338	0.8
135.08008	1.0
137.05927	1.3
140.10681	1.0
141.06967	1.6
141.09052	0.5
142.12279	1.2
143.08531	1.1
145.06458	1.0
145.10109	0.8
146.03607	0.9
146.09639	1.3
147.04416	1.5
147.08015	0.6
148.11206	0.7
152.06180	0.6
152.10649	2.7
153.06998	1.3
155.08583	0.8
157.06476	0.9
158.09650	0.9
159.08069	1.3
160.11221	0.9
161.09619	0.7
162.09125	1.7
164.10661	0.7
165.05630	0.6
165.07013	1.3
167.08507	1.0
169.06453	0.8
171.08057	0.9
172.11227	1.3
173.09641	0.7
174.09117	2.7
174.12691	0.6
178.07860	0.7
178.12175	0.5
179.08533	1.4
181.06470	0.9
181.10156	1.1
183.08000	0.7
184.11108	1.0
185.06073	0.6
185.09631	0.6
186.12784	1.8
187.07549	0.6
188.07066	1.4
191.08618	1.4
192.09389	0.7
193.10106	1.3
195.07965	1.0
195.11722	0.8
196.08846	0.6
196.11189	0.8
197.09634	0.7
202.07722	1.1
202.12300	2.2
203.08641	1.1
204.09381	0.6
205.10155	2.4
207.08067	1.2
207.11729	1.0
208.08829	0.8
208.11182	0.6
209.09616	1.3
211.13660	0.5
215.08597	0.9
216.13820	0.8
217.10175	1.3
218.07362	0.6
218.15291	3.9
219.08113	1.0
220.09021	0.8
221.09627	1.0
223.11305	1.1
232.08807	0.6
232.10939	0.5
233.09630	1.6
233.11671	0.6
234.06810	0.6
235.07326	0.6
235.11205	1.0
237.09056	1.4
247.07655	0.6
249.09128	0.6
251.10706	1.3
259.09729	1.0
261.09106	2.2
263.10834	1.2
264.13965	0.6
265.12268	1.0
280.13513	0.5
292.13449	0.6
293.11581	0.6
296.16516	0.6
304.13513	0.7
306.14752	0.8
310.11594	0.5
324.16052	0.9
326.21387	0.7
340.19000	2.6
344.22217	1.1
350.17456	1.1
354.20694	2.0
368.18500	17.7
369.18726	0.7
372.21683	3.5
376.24866	1.4
382.20355	0.6
386.23383	0.9
400.21298	0.7
404.24216	6.5
418.22144	1.0
454.26047	0.5
462.22742	1.2
476.24203	3.1
478.22171	0.5
490.22437	1.1
494.25226	5.3
504.23825	0.8
508.26862	0.6
522.24805	1.7
526.27985	8.5
527.28424	0.8
536.26404	3.4
554.27515	4.5
568.28357	0.6
586.30011	37.6
587.30463	1.9
604.31256	0.5
715.88916	0.6
716.32935	2.5
760.31586	100.0
761.31848	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	760.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01863	1.1
55.05518	1.0
56.05040	1.6
57.86781	0.7
58.06598	8.4
59.04996	0.8
66.98786	0.8
67.05502	2.8
69.03412	1.4
69.07063	1.0
69.70652	0.6
70.06603	1.8
71.04987	1.8
72.08143	1.0
75.04471	3.8
77.03922	2.0
78.58778	0.8
79.05500	2.9
80.05027	0.9
81.03422	1.8
81.07033	2.6
82.06593	1.7
85.02912	2.6
87.04494	1.0
91.05444	3.9
93.07024	1.6
94.06561	1.1
95.04957	12.4
95.08591	1.5
96.08122	1.2
97.02889	1.9
97.06554	1.0
103.05457	1.2
104.68634	0.6
105.03384	79.4
105.04523	4.5
105.07032	2.6
106.03738	1.0
107.04958	2.1
107.08596	1.3
108.08122	2.7
109.02868	1.4
109.06520	2.9
109.10151	1.7
110.09695	2.2
111.08061	3.6
112.07581	1.2
114.77481	0.7
115.05460	1.8
117.03411	0.9
117.07005	3.0
119.04939	1.5
119.08568	2.0
121.06490	1.6
121.10131	1.1
122.09663	1.8
123.11750	0.7
125.09634	0.8
127.03967	1.0
128.06264	1.4
129.07001	2.7
131.08528	4.2
133.02812	1.0
134.09677	1.8
135.04407	0.9
135.08055	1.0
135.11714	0.9
137.05972	1.9
140.10686	0.9
141.07007	2.1
142.12242	1.1
145.02850	1.4
145.06514	1.7
145.55750	0.8
146.03551	0.9
147.04434	1.7
147.10406	0.9
152.10681	4.4
153.06960	2.2
155.08600	1.4
157.06535	1.6
158.09641	1.6
159.07951	1.1
160.11232	1.6
161.06012	1.3
161.09602	1.1
162.09181	2.0
165.05562	1.0
165.07018	1.7
166.07721	1.1
167.08594	1.8
169.06511	0.8
172.11278	1.3
173.09561	0.8
174.09164	3.4
177.05472	1.6
178.07726	1.1
178.12296	1.7
179.08577	2.5
181.04967	1.0
181.06473	1.2
181.10123	1.3
184.11217	1.0
186.12808	2.3
188.07098	1.7
191.08540	2.0
192.09285	0.8
193.10091	1.4
195.07971	1.2
202.12354	1.9
203.08783	1.5
205.10126	4.1
207.06395	1.0
207.11757	1.1
209.09752	1.4
211.07570	0.8
217.10201	1.2
218.15443	3.5
221.09787	0.9
223.11081	1.3
233.09654	2.7
235.11281	1.2
245.09761	0.9
249.09058	1.1
251.10693	2.0
258.41934	0.8
259.09860	0.8
261.09167	1.9
279.10065	1.0
280.13309	0.9
296.16638	1.0
322.17944	1.8
325.14395	1.3
326.21112	1.1
340.19232	2.8
350.17529	1.0
354.20816	1.6
368.18521	15.5
372.21524	4.2
376.24905	1.6
404.24313	5.8
462.22702	1.0
476.24435	3.1
490.22076	0.9
494.25327	4.8
522.25098	3.0
526.28046	9.1
527.26935	0.8
536.26422	2.9
554.27515	5.4
586.30042	41.4
587.30627	2.2
716.25824	0.9
760.31567	100.0
761.31976	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	760.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.8
55.05504	8.7
57.03421	2.8
58.30061	1.2
61.02925	6.1
67.05499	14.6
69.03411	2.9
69.07056	8.6
71.04970	1.4
72.62100	1.0
73.02898	2.5
75.81147	1.0
79.05480	18.6
81.03406	4.2
81.07044	27.9
83.04965	2.6
83.08599	4.2
85.02883	9.3
91.03952	5.4
91.05463	14.8
93.07026	14.2
95.04956	10.1
95.08591	8.5
97.02875	3.1
97.06534	2.5
97.10157	4.3
98.23433	4.5
105.03381	6.1
105.07025	9.7
107.04935	5.2
107.08579	7.2
109.06503	4.4
109.10153	5.4
111.04354	1.8
111.08054	2.5
117.06985	7.5
119.08559	15.6
121.06480	4.6
121.10098	6.8
121.47601	1.0
123.08050	7.9
125.09618	4.4
128.06206	1.4
129.06969	3.9
131.08548	10.2
133.06458	3.2
133.10147	5.9
135.08008	4.2
135.11664	1.8
137.09613	2.9
139.11163	1.4
143.08530	4.4
145.05014	1.8
145.06444	1.8
145.10103	11.5
147.08012	8.4
147.11655	2.7
149.09601	4.9
157.10078	3.2
159.08014	2.1
159.11650	3.7
161.09593	4.0
163.06030	2.2
163.11147	5.6
169.10060	2.0
171.11636	4.2
173.09579	1.7
173.13199	1.3
175.11145	1.8
177.12865	1.0
181.10080	1.1
181.12233	1.2
183.11586	1.4
185.13229	2.1
189.11186	2.2
189.12770	1.1
195.11734	1.2
197.07292	1.6
212.65808	1.0
213.16539	1.1
223.13437	1.3
227.17966	1.4
237.16319	1.8
245.19008	1.8
249.14818	2.9
255.17502	2.9
270.84491	1.1
273.18445	16.8
291.19513	40.6
309.16034	3.4
327.17456	1.8
347.21985	3.8
365.23239	21.4
383.19766	17.1
401.20822	100.0
402.21063	3.5
563.25568	2.2
580.37085	1.1
657.28448	1.3
760.37177	5.2
788.03198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01868	14.7
55.05502	20.5
57.03430	15.0
59.56876	2.2
61.02917	4.8
65.03936	3.8
67.05493	37.6
69.03421	7.3
69.07059	24.2
71.04980	5.9
77.03908	5.4
79.05479	60.9
81.02962	2.8
81.03404	30.9
81.07045	61.5
82.50179	2.3
83.01313	5.2
83.04966	12.9
83.08613	16.9
85.02871	13.4
91.03947	2.4
91.05462	71.7
93.07030	44.9
95.04945	46.8
95.08609	14.2
96.05295	5.3
97.02903	4.2
97.06547	11.9
97.10157	13.7
103.05450	4.1
105.03378	100.0
105.04414	11.7
105.07005	29.7
106.03707	22.8
107.04915	13.2
107.08585	33.7
109.06532	13.7
109.10133	9.9
111.04425	9.6
111.08065	6.1
115.05428	8.2
117.07001	40.1
119.08561	32.9
121.06494	8.9
121.10107	12.8
123.04439	2.8
123.08067	20.9
125.09621	15.6
129.07005	9.7
131.08556	16.1
133.06480	6.7
133.10112	9.4
135.08038	44.9
135.11684	11.1
137.09581	3.4
143.08559	6.7
145.06462	5.9
145.10106	11.4
147.08009	12.9
147.11682	7.7
149.09628	9.8
151.07549	2.9
153.09048	10.4
155.08597	3.5
157.10097	9.0
159.08011	5.1
159.11658	3.5
161.09608	7.7
161.13158	3.7
163.07513	9.1
163.11214	10.2
165.09090	6.0
171.10202	2.8
171.11623	3.5
173.09610	4.3
175.11176	5.9
180.85672	2.1
181.08624	3.3
181.12138	2.8
189.11191	7.8
189.96989	2.7
191.14485	2.3
193.12259	13.4
199.09662	4.4
201.31650	2.4
211.13274	17.6
215.14285	7.9
217.15813	2.7
224.31987	2.3
227.12674	13.8
233.15303	2.2
243.13918	2.5
245.15381	4.9
250.13000	2.8
255.12238	69.7
255.17383	3.4
258.08060	1.9
261.14801	4.1
263.16321	8.4
267.15790	6.1
273.18387	19.5
283.15344	12.4
285.16946	14.9
288.13535	2.3
291.19498	44.0
305.88358	2.1
309.20569	5.2
337.20123	3.0
338.78806	2.4
347.22238	7.0
353.19574	20.4
365.23209	19.8
383.24197	9.0
425.21875	3.9
471.26904	2.4
481.24951	2.8
527.29889	16.1
545.31018	41.9
563.23431	4.0
563.32025	66.4
564.32379	3.7
698.25934	2.8
699.26208	30.1
760.30975	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	10.8
55.05507	17.2
57.03431	13.5
59.05000	2.5
61.02909	2.4
65.03940	4.5
67.05496	42.5
67.05856	2.3
69.03426	6.1
69.07057	24.2
71.04984	4.6
73.02906	1.9
79.05483	30.0
81.03407	56.9
81.03892	2.8
81.07046	37.9
83.04967	12.2
83.08604	7.4
85.02890	19.9
85.06519	1.9
86.80437	1.4
91.05466	97.7
92.05826	1.7
93.07030	44.1
95.04962	16.3
95.08595	33.8
97.02888	6.3
97.06529	6.6
97.10150	10.8
99.00785	2.9
99.04422	1.7
99.08114	1.8
105.03391	3.3
105.07007	19.2
107.04939	13.3
107.08579	15.9
109.02876	7.1
109.06496	8.7
109.10133	24.3
111.04427	6.0
111.08038	3.6
113.05943	1.7
115.05425	3.1
117.07016	14.2
119.08562	100.0
121.02848	3.8
121.06486	11.7
121.10148	8.6
123.04413	2.9
123.08040	6.1
125.09619	11.9
129.06995	6.7
131.08546	4.3
133.06470	3.8
133.10095	10.9
135.08034	15.1
135.11691	3.2
136.08420	1.9
137.09595	41.7
142.07765	1.7
143.08557	4.1
145.04930	1.5
145.06468	5.6
145.10118	6.0
147.08020	12.7
147.11679	4.3
149.05905	2.2
149.09619	3.4
151.11183	3.7
153.09056	3.1
153.12767	3.5
157.10124	3.6
159.08063	5.0
159.11687	1.9
161.09573	7.7
163.07523	6.9
163.11186	3.4
165.09090	37.6
165.10402	2.8
173.09543	2.4
175.11171	3.1
179.07162	1.6
179.10715	3.6
183.10150	13.3
189.09114	3.1
189.11143	5.1
191.10658	4.2
193.12209	18.1
211.13329	2.2
221.11656	2.3
225.11264	1.7
227.12671	8.4
235.09669	2.2
239.12746	27.9
243.17377	2.8
251.16219	1.6
257.13797	57.0
261.18457	3.8
267.16095	2.3
271.16959	6.8
273.18658	3.2
283.15448	6.5
289.17972	19.7
299.05759	1.7
307.19055	5.6
353.19427	2.3
363.21637	12.3
381.22690	58.1
447.23593	2.9
453.26074	2.4
465.24750	3.2
480.12967	1.8
527.29901	16.5
528.29889	2.4
545.31085	32.9
563.32092	68.3
564.31970	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	760.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01871	12.2
55.05500	28.8
57.03217	1.6
57.03432	15.9
57.07075	2.4
61.02924	3.6
67.05492	67.8
69.03408	4.9
69.07056	28.2
71.01344	2.9
71.04966	6.3
71.77573	1.9
79.05034	3.7
79.05480	64.1
81.03401	16.8
81.07044	80.1
83.04966	22.9
83.08607	16.7
84.68056	2.2
85.02890	6.2
85.06523	4.7
86.09686	2.9
91.05456	38.1
91.80846	2.0
93.07027	62.6
95.04946	24.9
95.08601	21.4
97.06516	17.2
97.10145	25.7
97.16112	1.8
99.04417	2.3
105.03364	3.3
105.07024	29.0
107.04939	13.6
107.08575	41.0
107.09247	3.2
109.06507	13.1
109.10152	12.8
111.04401	11.1
111.08071	9.4
117.06982	15.0
119.04926	2.4
119.08552	27.9
121.06495	10.8
121.10110	19.2
123.08045	16.5
123.11676	2.7
125.09595	18.2
129.06952	10.4
130.07716	2.5
131.08540	14.9
133.06465	2.9
133.10147	10.2
135.08026	6.4
135.11662	51.7
135.12642	3.9
137.09592	7.0
143.08533	6.6
143.10562	2.1
145.10074	21.6
147.08032	11.0
147.11674	8.6
149.09601	10.4
151.11203	3.4
153.12718	4.1
155.08522	3.1
157.10107	8.6
159.11682	7.0
161.09613	8.2
161.13136	2.5
163.11174	25.4
165.09122	4.1
171.11627	4.4
173.09560	4.1
175.11151	4.6
177.05438	2.1
177.12781	2.3
179.10585	2.5
181.12241	15.4
184.07315	3.7
185.09508	2.0
189.11166	8.3
189.12721	2.8
191.10620	5.6
193.12199	4.6
215.54497	2.0
223.13251	4.7
227.12709	14.8
245.19099	5.1
255.15826	100.0
257.10870	2.1
267.15948	6.2
273.18417	34.8
275.20163	2.6
283.15350	4.9
291.19495	65.5
309.20508	6.4
315.11749	2.4
321.20477	10.7
347.22086	9.1
365.23190	26.8
367.24493	2.7
383.24197	10.0
419.27835	3.0
425.25162	7.4
449.06314	2.1
472.62921	2.0
481.28186	3.0
513.31958	6.9
527.33868	18.5
531.32715	8.2
545.34686	70.7
546.34833	4.0
563.35815	32.5
616.10522	2.4
702.69135	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	760.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.8
55.05504	29.9
57.03426	10.0
60.05652	2.5
67.05494	43.1
67.48478	2.7
69.03439	3.5
69.07065	24.4
70.69184	5.9
71.04990	5.7
77.51237	2.7
79.05485	40.3
81.03417	11.0
81.07048	47.0
82.07385	3.9
83.04981	13.9
83.08621	18.9
85.02918	4.3
85.06525	6.5
86.09711	4.7
88.23520	2.5
91.05448	43.7
93.07036	32.8
95.04957	39.5
95.08595	24.9
96.83831	2.8
97.06529	9.7
97.10175	11.9
99.04470	4.7
105.07016	40.8
107.04954	11.7
107.08566	37.5
109.06506	10.8
109.10128	43.6
111.04461	4.4
111.08067	2.9
117.07018	8.7
119.08583	16.4
121.06475	5.9
121.10122	13.1
123.08065	7.0
123.11674	4.7
125.09618	6.9
127.07575	5.8
128.06221	2.9
131.08540	12.6
133.06496	3.7
133.10112	47.3
135.08047	8.2
135.11703	11.9
137.09608	4.2
137.20079	2.8
143.08519	4.2
145.10103	11.2
147.08003	5.1
147.11676	7.7
149.09612	13.6
151.11163	20.5
157.10129	3.4
159.11713	4.1
161.09595	5.8
163.11099	14.8
165.12831	3.8
169.12241	4.2
177.12619	3.2
184.07307	12.6
187.14940	3.0
189.11145	6.7
193.12207	4.3
205.12108	3.6
216.98003	3.5
223.13342	17.1
229.14151	3.1
247.17004	2.9
253.14325	100.0
255.15916	9.8
256.16235	3.9
257.18976	3.8
267.15927	6.5
271.15335	35.1
275.20007	28.1
289.17850	3.8
293.21063	25.6
311.22110	4.1
321.20508	8.4
349.23328	13.2
367.24722	20.8
381.22775	3.3
384.33655	3.2
471.52072	3.3
513.32037	15.4
527.33911	4.1
545.34729	32.0
562.34650	3.5
563.35632	66.4
760.40186	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	760.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01877	4.4
55.05506	17.5
57.03433	16.4
57.07080	2.4
61.02922	7.5
65.03938	2.3
67.05498	58.0
69.03432	4.1
69.07066	13.8
70.05181	3.4
71.05002	4.8
73.02911	3.5
75.04485	1.5
79.05481	43.1
81.03407	65.3
81.07050	53.5
83.04989	6.0
83.08607	17.2
85.02917	6.4
85.06545	3.5
86.09723	1.5
87.46776	1.3
91.03965	3.0
91.05458	33.8
92.05851	1.6
93.07037	48.8
94.07416	1.9
95.04958	29.4
95.08596	38.5
97.02894	5.6
97.06552	5.6
97.10178	5.9
98.22768	1.5
99.08094	2.2
105.04529	2.2
105.07022	24.1
107.04952	7.0
107.08585	24.2
109.06554	4.4
109.10150	19.4
111.04491	1.8
111.08089	6.4
117.07006	9.4
117.91881	1.4
119.08572	23.1
121.06554	3.0
121.10139	19.7
123.08099	2.6
123.11715	4.9
125.00023	1.8
125.09656	3.9
129.06976	10.7
131.08559	19.8
133.06439	2.9
133.10115	13.5
135.08110	1.8
135.11690	13.4
137.09604	3.0
143.08618	4.5
145.10077	8.5
147.08037	2.6
147.11662	12.7
149.09631	6.3
149.13312	5.3
151.11234	2.1
157.10129	8.7
159.11658	8.0
161.13272	3.5
163.11203	3.6
163.14810	4.1
165.12798	3.3
169.10152	1.6
171.11700	2.9
173.13295	4.7
175.11208	4.8
175.15002	1.9
176.64200	1.3
184.07314	7.0
185.13318	1.7
187.14876	3.3
189.11299	2.3
193.12202	15.3
211.13406	2.5
215.18030	2.1
227.12880	2.9
243.08446	3.6
243.21196	2.5
259.20706	1.9
261.22104	10.2
267.15878	65.7
271.20377	1.7
275.20126	2.0
279.23138	2.1
293.21011	1.7
301.25342	4.6
307.22693	3.4
309.23798	1.4
335.25784	49.0
336.26147	2.6
421.25854	2.4
435.32782	3.7
442.28986	1.6
453.33652	4.6
465.20724	3.4
466.21460	5.8
471.34766	3.1
489.36221	1.8
499.33731	1.8
527.37262	36.2
528.38031	3.4
536.28802	3.5
545.38342	28.7
563.39581	3.0
760.43085	100.0
761.42560	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	761.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
55.05502	3.7
57.76359	2.0
67.05498	12.7
69.07073	4.8
71.44671	2.4
76.45032	2.0
79.05492	10.7
81.03415	3.9
81.07059	12.3
83.08610	4.6
85.02895	3.0
86.09711	2.6
91.05481	7.2
93.07000	11.0
95.04965	3.1
95.08611	6.5
97.06523	2.5
97.10084	2.4
105.07011	6.1
107.04971	2.8
107.08582	7.3
109.06530	2.4
109.90669	2.4
117.07011	3.8
119.08594	3.6
121.10101	3.6
131.08574	4.9
133.10127	6.0
145.10156	3.1
165.09196	2.5
184.07343	3.3
227.12804	2.3
275.19980	3.8
307.22559	6.4
332.13892	2.4
349.24118	2.9
503.34558	2.9
581.41919	5.9
761.38562	100.0
762.39069	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	761.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.0
55.05495	1.9
57.03423	2.2
66.67850	1.3
67.05487	6.2
69.07066	3.1
73.48316	1.2
79.05476	6.9
80.12871	1.2
81.07034	8.2
83.04963	1.6
83.08613	1.6
87.03246	1.3
90.15719	1.3
91.05483	4.4
93.07030	6.1
95.04961	2.7
95.08583	4.1
97.06495	1.7
97.10192	1.8
98.23488	4.1
104.72506	1.2
105.07003	3.5
107.05001	1.4
107.08607	2.9
109.06512	2.0
109.10141	3.0
117.07024	1.9
119.08557	1.7
121.10133	1.8
131.08554	2.3
133.10144	1.4
135.11693	1.9
145.10071	1.7
146.23918	1.5
149.09589	1.8
237.09146	1.3
272.84766	1.4
275.20120	1.8
283.15237	1.4
307.22827	3.4
349.23843	2.2
446.55704	1.3
755.50885	1.4
761.38531	100.0
762.39032	12.7
779.87726	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
54.61650	0.7
55.05511	1.2
55.16615	0.7
57.02361	0.8
57.03438	2.2
59.05009	1.5
60.77567	0.7
61.02924	3.5
67.05516	2.5
69.03413	3.7
69.07063	1.7
71.04999	2.1
73.02929	2.7
79.05486	4.0
81.03408	7.4
81.07049	3.8
83.04999	1.2
83.08619	1.4
85.02892	7.1
87.04464	1.1
91.03977	2.2
91.05441	5.3
93.07069	3.5
95.04965	5.5
95.08616	1.5
96.05290	1.0
97.02879	4.6
97.06515	1.0
99.04496	1.7
101.02404	1.6
105.03374	11.6
105.04517	1.8
105.07056	2.6
106.03745	2.9
107.08611	2.1
109.02898	0.9
109.06529	1.1
109.10181	1.3
111.08107	1.2
119.08608	3.3
121.10169	2.8
126.05415	0.7
127.03989	2.3
129.05602	0.9
129.07051	2.1
131.08621	3.0
133.10158	2.3
135.08076	0.9
135.11705	1.0
143.08690	0.7
145.10217	1.1
147.11711	1.8
149.09677	2.3
157.10115	1.4
162.05099	0.8
167.07155	0.8
175.11169	1.3
193.12366	2.8
225.14909	1.2
237.76361	0.8
243.08548	3.2
267.15918	1.3
283.15002	6.4
339.17908	2.5
358.46130	0.8
374.10245	1.1
501.22992	28.8
502.23291	0.9
532.80603	0.8
571.52814	0.9
571.63647	0.8
599.34161	1.3
761.39539	100.0
762.39819	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	761.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05502	3.0
55.87409	0.9
57.03427	1.2
60.08347	0.8
60.66119	0.8
61.02925	3.4
66.11641	0.7
67.05492	7.2
69.03424	2.7
69.07047	1.6
69.76930	2.5
71.01329	0.9
71.05002	1.0
73.02916	3.4
78.49667	0.8
79.05478	4.5
79.30013	0.7
81.03404	5.5
81.07055	7.0
82.07355	1.2
83.04969	1.4
83.08607	2.1
83.60085	0.9
85.02896	6.8
91.03996	1.9
91.05470	5.6
93.07042	5.1
95.04974	3.8
95.08593	4.5
97.02874	4.1
97.06512	1.1
97.10148	1.0
99.04465	1.0
101.02361	1.2
105.07037	5.4
107.04938	1.7
107.08611	3.2
109.06534	2.3
109.10159	1.6
115.83169	0.8
117.07024	1.4
119.08568	4.3
121.06522	1.1
121.10173	1.7
123.08093	1.1
127.03899	2.1
131.08574	2.3
133.10147	3.7
135.11708	1.3
145.10130	1.1
147.08081	1.1
147.11682	2.8
151.11171	1.1
157.10159	1.8
159.11748	1.1
163.11237	1.2
175.11179	1.4
193.12288	2.3
211.13397	1.3
243.08430	2.1
251.12624	1.5
271.15482	1.3
275.20218	3.0
276.20135	1.0
285.17111	1.0
293.21274	1.0
315.19302	1.9
406.96848	1.0
448.71063	0.8
469.20502	10.4
514.32568	1.1
518.33630	0.8
533.27240	5.0
546.35883	1.3
564.36304	2.1
690.22888	0.9
761.40717	100.0
762.41058	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	761.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	1.0
55.05499	2.8
57.03420	2.4
61.02919	5.6
67.05492	4.7
69.03428	3.6
69.07069	1.8
71.90672	0.6
73.02918	3.5
73.87223	0.5
79.05491	7.1
81.03417	2.4
81.07047	6.3
83.04986	0.8
83.08621	1.2
85.02903	5.4
85.06555	0.9
91.03952	3.5
91.05447	4.6
93.07032	8.1
95.04986	2.0
95.08579	3.4
97.02889	4.4
97.06560	0.8
98.22696	1.6
99.04457	1.2
101.02381	1.5
105.07013	4.4
107.04945	0.6
107.08563	3.2
109.02890	1.2
109.06556	0.9
109.10166	0.9
115.03942	0.7
117.07032	1.8
119.08557	3.3
121.06520	0.8
121.10147	2.3
123.08099	0.9
123.92163	0.6
127.03943	1.5
131.08594	2.1
133.10139	1.8
135.08095	0.7
135.11723	1.9
137.09572	0.7
145.10126	1.8
147.11700	1.3
149.13255	0.6
163.11172	1.2
170.96538	0.6
200.78708	0.7
203.14395	0.6
208.73376	0.6
243.08313	3.7
283.15485	0.9
301.08893	0.9
307.22394	0.7
453.63144	0.8
465.20746	1.1
467.18777	6.4
475.45499	0.7
533.27350	0.8
535.28802	7.7
761.40668	100.0
762.41113	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	762.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01866	3.7
57.03434	0.9
61.02920	0.5
65.03957	0.2
67.01878	0.2
68.05017	0.2
69.03056	0.4
69.03421	7.1
69.46801	0.7
70.06582	100.0
71.01334	0.3
71.06911	0.8
73.02935	0.2
81.03412	1.1
85.02900	1.3
86.06064	0.2
87.04459	0.5
88.64268	0.2
91.05473	0.3
97.02878	6.3
99.04430	0.3
105.03385	0.6
105.05396	0.2
105.07030	0.2
109.02856	4.5
112.07588	87.3
113.07925	1.1
114.05480	0.4
115.03916	7.5
116.07074	1.6
121.02862	2.1
127.03886	0.7
137.02328	0.2
140.07042	67.8
141.07367	0.9
145.02834	0.4
147.04404	0.5
153.01845	0.6
157.04973	0.5
158.08104	10.2
161.05991	0.2
165.01758	0.3
175.06027	1.3
177.05432	0.8
184.29530	0.2
200.09117	0.5
200.12706	0.2
207.06442	0.4
212.09143	0.6
213.05441	0.3
224.09123	0.5
226.10873	0.2
230.10126	1.0
239.11754	0.4
241.04919	0.3
241.13219	0.5
242.10188	1.3
266.10147	3.9
267.11145	0.4
268.11649	0.3
284.11252	14.6
285.11935	0.9
287.05466	17.0
288.05728	0.3
299.05325	0.4
302.12299	2.6
329.06525	3.4
349.06720	0.3
353.06354	0.5
377.06448	0.9
395.07407	0.7
588.17285	2.3
600.24841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22261	0.3
55.01863	1.4
57.03438	0.5
61.02927	0.4
62.81510	0.3
67.05505	0.3
68.05004	0.5
69.03418	9.0
69.16839	1.9
70.06579	100.0
71.04979	0.3
71.06911	0.6
79.05474	0.5
81.03399	1.3
81.07046	0.3
85.02892	1.1
87.04459	0.4
91.05465	0.4
94.06577	0.5
95.04943	0.9
97.02876	7.1
98.22549	0.6
105.03378	5.7
105.07016	1.0
108.08099	0.3
109.02860	4.2
112.07585	91.1
113.07928	1.0
113.83635	0.3
114.05524	0.3
115.03912	5.9
116.07050	2.1
119.04960	0.4
121.02856	2.2
127.03905	0.9
131.04910	0.3
133.02837	0.3
137.05872	0.5
140.07039	63.7
141.07367	1.2
147.04375	0.5
153.01732	0.5
157.06317	0.3
158.08098	9.5
161.05957	0.7
165.01839	0.4
175.05977	0.9
177.05399	1.0
183.02922	0.5
184.24323	0.3
193.08571	0.8
198.54735	0.3
200.09163	0.3
207.06528	0.3
230.10155	0.8
242.10135	0.9
266.10153	3.2
277.88040	0.3
284.11246	12.6
285.11780	0.6
287.05450	16.3
288.05798	0.8
299.05576	0.5
302.12241	1.8
329.06473	2.7
331.84137	0.3
349.06781	0.5
353.06406	0.6
365.06403	0.4
370.16339	0.9
377.06332	1.0
395.07416	0.7
434.05331	0.3
546.98676	0.3
588.17957	1.7
588.27502	1.6
762.29224	5.4
763.28571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01858	1.7
55.05502	2.1
67.05504	4.4
69.03433	1.4
69.71027	2.6
69.71361	0.9
72.04535	1.5
74.06107	0.8
77.03916	3.5
79.05498	5.1
81.03418	3.7
81.07044	4.2
83.04961	1.5
83.08624	1.8
85.02915	1.6
91.05463	7.7
93.07032	3.3
94.06577	1.8
95.04957	25.5
95.08611	1.7
96.08167	1.3
99.52276	0.8
105.03379	100.0
105.04400	7.9
105.07014	4.8
106.03669	1.3
107.04952	2.0
107.08591	3.1
108.08093	1.5
109.06528	1.1
109.10149	0.8
110.06033	1.1
111.04436	1.5
113.83196	0.8
115.05479	1.0
117.07018	2.4
119.04924	3.2
119.08583	5.5
121.06501	1.5
121.10131	1.2
124.07587	1.1
125.09638	1.0
127.03919	0.9
128.06274	0.9
129.06995	2.0
131.07333	0.8
131.08499	2.0
132.08102	1.1
133.06511	2.2
134.09656	1.5
135.08031	1.4
135.11687	1.1
136.07562	0.9
137.09621	2.0
138.05519	0.9
141.07022	0.9
143.08563	1.3
144.08061	1.8
145.06480	3.7
145.08833	1.1
145.10112	2.3
146.09593	1.8
147.08046	2.1
148.07578	1.9
149.09659	1.2
155.08606	1.0
157.08865	5.9
158.09645	1.6
160.07596	8.8
162.09210	1.4
163.11180	1.3
165.06995	1.4
167.08557	1.9
172.07588	1.2
173.08379	3.7
173.09695	1.1
174.09140	4.3
175.06175	1.0
175.07492	1.6
175.09714	1.3
178.07756	1.1
179.08487	2.0
181.10213	1.1
188.10681	1.0
191.08688	0.9
192.09399	1.8
193.10158	1.9
197.91841	0.8
198.09143	1.5
202.07730	0.9
204.09334	1.9
205.10153	2.1
206.10989	1.1
207.11681	1.3
211.10094	1.0
212.10626	1.4
215.08591	1.3
216.09399	1.6
217.10155	1.3
219.11697	2.3
221.09645	1.0
223.11224	1.1
224.10759	1.1
231.11757	1.8
233.09669	1.4
236.10681	1.0
237.12825	1.8
246.12836	1.0
247.11232	1.9
249.12794	1.1
257.13855	1.7
259.11176	1.4
265.14426	1.3
273.18387	1.4
274.12247	1.2
278.15854	0.9
280.17108	1.6
283.15402	1.2
284.64526	1.0
287.02841	1.2
287.05453	5.9
288.13608	0.9
290.15417	2.0
291.19504	1.5
292.20026	1.0
301.16559	1.2
308.16516	3.5
318.14758	1.5
336.16016	2.7
392.14713	5.5
393.15002	5.5
410.15942	0.9
411.16245	1.8
414.66180	1.1
449.25302	1.0
458.19391	2.4
529.31775	1.4
547.32404	3.0
565.34027	1.8
573.49805	1.0
580.23608	2.1
640.25427	2.1
758.01978	1.1
762.28870	85.5
763.29205	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	762.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03733	0.3
53.03943	4.0
55.01847	0.5
55.05494	0.8
61.02906	0.6
65.03919	0.4
67.05476	0.6
69.03416	4.3
69.07039	0.7
70.06589	0.4
77.03913	4.1
79.05487	1.8
81.03396	2.7
81.05783	0.4
81.07046	1.3
82.06558	0.7
83.04960	1.6
85.02892	4.0
91.05470	3.1
93.07047	1.0
94.06558	1.2
95.04953	21.3
95.08607	0.5
96.08111	1.6
97.02871	3.8
98.23486	0.9
99.04441	1.1
103.05477	0.5
105.03378	100.0
105.04404	8.4
105.06998	3.4
106.03705	1.5
107.07343	0.7
108.08106	1.3
109.02863	11.5
109.06506	0.5
110.06002	1.2
111.04440	2.2
112.82381	0.4
115.05447	1.2
117.06991	1.3
119.04943	2.7
119.08549	0.9
120.08090	1.2
121.06516	1.1
122.05994	0.5
123.06843	0.6
124.07579	7.4
127.03893	6.4
128.06210	0.6
129.07007	1.4
131.04913	0.4
131.07309	0.9
131.08562	0.8
132.08066	0.9
133.06488	1.3
134.05997	0.6
134.09639	0.8
136.07562	0.8
139.03842	0.5
141.06976	0.8
142.06548	0.5
143.08511	0.9
144.08054	1.2
145.04947	1.7
145.06488	2.0
145.08846	0.5
145.10092	0.4
146.09605	3.1
147.08002	1.0
148.07549	1.0
153.01868	0.4
153.05440	2.0
157.08847	17.5
158.09621	2.1
160.07526	2.5
160.11255	0.4
161.08389	0.5
162.09140	1.8
164.10751	0.4
165.07021	0.8
166.08675	1.1
167.08566	0.8
169.04955	1.3
169.06425	0.5
169.10147	0.7
172.07610	1.2
172.11186	0.5
173.08336	2.4
174.09111	5.1
175.07634	0.5
176.10709	0.6
178.12248	0.4
179.08554	1.0
181.06419	0.5
181.08781	0.5
181.10159	1.1
183.08043	0.5
186.09055	0.5
187.06056	1.3
188.10629	0.5
190.12317	0.5
192.09326	0.6
193.10132	1.4
194.09610	0.5
195.07861	0.4
195.11740	0.6
196.11238	0.5
197.09666	0.7
198.09204	0.9
200.10660	0.6
203.08531	0.9
204.09300	0.7
205.07056	1.9
205.10127	0.8
206.10907	0.5
207.11746	1.3
208.11182	0.7
212.10587	0.6
215.08672	0.5
216.09317	1.3
217.10138	1.1
219.11722	1.4
220.08928	0.6
220.11082	0.5
221.13290	0.6
224.10780	0.6
225.11533	0.4
231.11739	1.2
235.11188	1.1
236.10782	0.5
238.12300	0.6
239.07045	0.5
245.12083	0.4
246.12807	0.7
247.11327	1.1
250.12230	0.6
252.13939	0.6
259.11063	0.5
260.14316	1.0
262.12335	0.7
262.16016	0.8
264.13922	0.5
266.11816	0.7
266.15506	0.4
274.12326	1.0
276.13760	0.8
278.11880	1.0
278.15405	0.9
280.17026	0.8
287.05457	13.2
287.08560	0.8
288.13815	1.0
289.47787	0.4
290.15286	2.9
294.11258	0.4
306.14966	1.6
308.13354	0.4
308.16306	2.5
318.14862	0.9
324.16010	0.5
326.17630	0.4
336.15909	2.3
354.17053	1.4
430.20020	0.6
458.19620	1.1
476.20706	1.2
490.22305	0.5
518.21753	1.3
547.32428	0.5
580.23352	1.7
622.24170	0.6
640.25366	5.1
641.25708	0.5
645.13599	0.4
722.56885	0.4
744.27026	1.1
762.28900	93.5
763.29132	9.6
777.13428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01857	1.2
56.05019	0.7
58.06582	1.2
59.73557	0.6
64.43418	0.6
68.05003	0.7
69.07059	0.8
69.68199	1.3
69.68545	1.9
70.06582	1.9
71.04967	1.1
75.04458	3.6
77.03917	3.6
79.05479	1.8
81.03434	1.0
81.07056	1.3
82.06570	1.4
84.08175	0.7
85.02884	1.6
85.18324	0.6
91.05458	2.7
94.06547	4.4
95.04952	16.2
97.06528	0.9
99.04445	0.8
103.05463	1.2
105.03378	98.7
105.04393	6.3
105.07018	2.4
106.03696	1.1
107.04973	0.8
107.07329	1.2
108.08112	4.9
109.06483	1.0
111.08072	2.5
115.05469	1.0
117.07030	1.2
119.04911	2.4
120.08099	1.0
121.06500	0.8
123.04347	0.8
124.07570	1.1
128.06226	1.0
129.06956	4.2
131.04948	1.4
131.08603	1.3
132.08073	2.0
133.08865	0.6
135.04410	1.3
135.08102	0.8
136.07549	1.3
137.05983	1.5
138.09158	3.1
141.06966	1.4
143.04968	0.8
143.08545	0.9
144.05783	0.9
144.08076	2.9
145.02864	2.1
145.06451	2.0
145.08772	0.8
145.93170	0.6
146.05969	0.7
146.09642	3.0
147.04414	2.1
148.07552	1.7
149.05981	1.8
153.05547	0.9
153.06947	1.4
155.08540	1.0
157.06502	1.3
158.09624	1.6
159.08047	1.5
160.07567	4.4
161.05962	0.9
162.09126	1.7
163.03886	0.8
165.07004	2.1
167.08464	1.1
169.06558	1.0
169.33212	0.7
170.09636	1.7
171.08101	1.2
173.06065	0.9
174.09007	0.7
175.03874	1.1
176.07104	0.9
176.10596	0.7
177.05498	5.2
177.09277	0.8
178.07718	1.9
179.08467	3.7
181.06425	1.3
181.10069	1.0
183.08136	1.2
185.05983	1.1
185.09625	0.8
188.10611	0.8
190.07787	1.3
191.08516	2.0
193.10109	2.3
195.08031	1.7
197.09651	1.2
198.09213	0.7
200.10638	0.8
202.07779	1.5
203.08568	2.5
204.10207	1.0
205.04723	0.7
205.10121	3.4
207.06442	1.8
207.08055	5.5
207.11739	0.7
209.09686	1.6
212.10719	0.7
213.05519	0.6
213.09161	0.8
218.07233	1.3
219.08116	1.6
220.08965	0.7
220.11157	0.8
221.09598	3.2
223.07555	0.8
223.11140	0.9
224.10651	0.8
225.09021	1.0
226.12439	0.7
231.08026	1.8
233.09612	2.4
235.07550	2.6
235.11172	1.3
236.08475	0.7
237.09163	1.9
238.14484	0.7
239.10760	1.6
247.07567	0.7
248.10696	0.8
249.09102	2.4
250.12297	0.7
251.07022	0.7
251.10469	2.0
252.07845	0.7
253.08580	1.2
261.09015	1.2
263.10754	1.5
264.13806	0.8
265.12021	0.7
266.11728	0.8
267.10175	3.1
277.08554	1.8
278.11572	1.1
282.15146	0.9
298.14594	0.9
306.11163	0.8
306.14890	0.8
310.14426	0.8
314.10281	0.8
320.12659	0.9
324.15930	2.2
342.16986	1.5
352.15427	1.7
356.18484	1.1
370.16437	10.5
374.19748	1.4
402.19199	1.1
406.22299	1.4
408.45963	0.7
416.20871	0.9
427.64264	0.7
478.22348	2.7
480.20322	0.8
492.20297	0.8
496.23209	2.5
506.21652	2.1
524.22705	3.0
528.26056	4.0
538.24127	3.3
556.25482	3.6
588.27942	21.1
589.28662	1.7
606.29584	0.7
730.26483	1.0
762.29407	100.0
763.29291	8.3
792.74341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01867	11.1
55.05501	31.3
57.03433	12.4
61.02923	3.3
65.03953	4.8
67.05499	60.0
69.03426	4.6
69.07065	19.8
69.62204	4.7
69.62583	7.2
71.04999	7.8
76.28439	2.8
77.03874	2.6
79.05482	44.5
81.03412	52.5
81.07045	74.6
83.04967	16.0
83.08620	10.4
85.02888	16.1
91.05469	92.0
93.07030	53.6
95.04955	30.3
95.08584	35.7
97.02873	4.2
97.06541	8.2
97.10158	20.6
99.04473	3.5
105.07001	26.0
107.04954	11.4
107.08595	17.8
109.06514	11.1
109.10147	29.4
111.04437	15.6
111.08052	9.4
115.05440	5.7
117.06966	19.8
119.08568	100.0
121.06506	11.3
121.10147	11.9
123.08045	21.9
125.09592	14.5
129.07031	9.1
131.08577	8.7
133.06529	4.0
133.10124	8.0
135.08043	9.8
135.11713	6.3
137.09601	45.1
143.08553	6.7
145.10103	13.5
147.08041	22.2
147.11679	5.2
149.09668	6.7
153.09077	3.4
153.12775	3.1
155.08479	3.4
157.10115	4.7
159.08101	3.3
159.11685	4.3
161.09645	10.9
163.11188	16.4
165.09103	33.2
171.11703	5.3
181.12198	6.4
183.10135	14.2
189.11194	14.7
191.10651	5.8
193.12230	6.6
211.13103	3.5
221.11749	4.9
223.13367	3.7
227.12709	18.9
239.12820	25.7
255.17448	6.7
257.13812	59.4
269.64505	3.3
273.18393	34.0
283.15240	5.8
289.01508	2.9
291.19522	65.6
309.20480	8.7
347.22202	8.3
365.23181	35.0
383.24258	13.0
395.00272	3.4
427.23517	4.4
427.95944	3.5
455.27692	5.0
459.25247	3.4
511.30301	4.7
529.31763	25.2
547.32513	31.6
565.33826	16.1
723.64490	3.8
744.65332	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	762.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	4.8
55.01863	21.0
55.05504	39.9
57.03424	26.5
61.02902	4.3
65.03906	3.9
67.05493	54.1
67.05804	1.9
69.03407	12.6
69.07060	47.6
69.52854	10.2
71.01318	3.1
71.04973	9.2
73.02907	5.5
79.05480	55.4
81.03410	30.1
81.07047	59.1
83.04969	17.6
83.08607	30.5
85.02876	13.7
85.06522	2.9
91.05468	63.1
93.07025	43.0
94.07836	3.6
95.04955	78.3
95.08598	28.1
97.02864	7.7
97.06512	19.8
97.10156	9.5
98.23408	3.8
99.04429	3.7
99.08086	4.2
103.05431	3.0
105.03380	23.3
105.07024	37.5
107.04941	17.8
107.08578	38.1
109.02898	3.2
109.06506	13.5
109.10162	17.7
111.04424	6.7
111.08091	12.7
115.05471	2.7
116.04678	4.5
117.06962	17.7
119.04963	2.9
119.08558	40.0
120.15862	2.8
121.06490	9.1
121.10143	23.7
123.08011	14.1
125.05968	5.3
125.09618	14.4
127.07517	4.0
129.05438	44.4
129.06972	7.4
131.08545	20.3
133.10107	18.0
135.08035	26.7
135.11670	11.7
137.09567	12.5
143.07031	31.7
143.08266	4.4
143.08435	3.9
145.10086	19.7
147.07964	13.0
147.11674	9.0
149.09579	32.4
151.11121	7.2
153.09053	5.9
157.08876	3.2
157.10088	5.0
159.08069	3.6
159.11670	12.3
161.09624	5.8
161.13174	3.7
163.07426	4.6
163.11189	24.1
165.09091	11.5
165.12759	4.1
171.10175	6.6
171.11598	4.2
173.13275	4.2
175.11130	5.5
181.50360	3.2
183.11761	3.2
185.13342	2.8
189.11169	12.3
193.12173	7.3
199.09610	8.3
201.11179	3.7
201.12807	3.6
205.12241	5.0
211.13164	6.0
213.16209	2.8
223.13283	36.9
227.12701	7.5
239.12750	10.9
241.14322	9.1
247.20416	2.9
255.12283	6.6
257.18994	5.9
267.15649	3.6
269.88290	2.8
273.10403	5.6
273.13272	100.0
273.17950	4.3
275.20035	58.3
283.77722	2.8
285.16974	3.6
286.31827	2.9
291.19562	6.4
293.21011	33.4
321.20648	5.1
329.00122	2.9
349.23645	17.6
367.24722	31.3
507.28922	4.6
513.31659	5.5
529.31073	4.4
530.31702	3.4
531.32660	8.3
547.32690	18.1
548.32672	3.9
565.33508	52.3
762.28729	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
55.01854	7.3
55.05503	53.2
57.03430	20.6
57.07059	8.3
58.13837	2.5
59.04994	32.2
61.02907	6.3
65.03930	4.4
65.43090	2.9
66.73494	2.1
67.05495	100.0
69.03427	6.1
69.07075	15.5
69.18095	5.8
69.18502	8.7
71.04978	23.2
71.08621	5.3
74.73485	2.6
79.05479	82.8
81.03410	9.1
81.07047	58.3
82.79950	2.3
83.04970	7.0
83.08604	22.6
85.02895	7.8
85.06530	3.7
87.04453	48.9
89.06020	19.9
90.52723	2.4
91.05459	40.1
93.07027	66.7
95.04957	15.6
95.08599	34.8
97.02891	7.4
97.06516	6.1
97.10159	23.4
99.04430	27.1
99.08096	4.4
100.86445	2.4
105.03346	5.9
105.04500	4.7
105.07010	22.9
107.04929	5.1
107.08572	32.7
109.06477	3.9
109.10130	43.4
111.04403	4.6
111.08056	7.7
117.07012	8.1
119.08545	20.2
121.06496	4.1
121.10124	34.5
123.11694	5.7
125.09608	24.9
129.07007	4.7
131.08554	14.9
133.08597	10.1
133.10081	12.4
135.07979	2.9
135.11685	20.0
137.09544	4.1
143.08563	4.5
143.10594	3.3
145.10097	13.5
147.11618	12.3
149.06038	3.5
149.09543	4.0
149.13223	6.7
155.10684	4.2
157.10121	6.1
159.11667	9.5
163.11174	10.7
165.26474	2.9
168.36238	2.4
169.10080	2.5
173.11731	11.6
173.13239	7.1
175.11156	4.9
177.11317	4.6
181.12164	3.1
183.11700	2.5
193.12279	4.8
199.13251	13.2
203.18271	2.4
209.11652	2.9
213.16374	4.4
215.17909	18.0
227.12744	8.8
229.14313	32.7
233.19003	9.6
233.80914	2.5
241.14281	4.4
257.13742	4.4
267.15891	5.3
274.18372	2.9
307.22656	77.1
308.22931	3.1
315.18021	12.8
323.22342	3.8
335.22092	6.0
431.31677	4.3
449.32605	38.8
461.32559	36.6
515.32977	3.1
533.34644	3.5
547.36707	3.7
565.37079	7.6
762.40515	15.1
763.41888	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	762.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.3
53.26549	2.1
55.01864	6.9
55.05505	35.5
57.03434	21.6
57.07068	2.5
58.37451	2.0
59.04992	41.8
61.02927	4.5
65.03929	5.1
67.05496	100.0
69.03413	6.3
69.07059	18.6
71.04972	11.8
73.02911	4.4
79.05033	4.3
79.05482	64.4
81.03407	14.7
81.07046	60.9
82.07327	2.2
83.04961	8.4
83.08611	12.7
85.02898	5.4
85.06519	4.5
86.84727	1.7
87.04459	67.2
91.05466	38.8
93.07031	62.8
94.07338	2.1
95.04956	20.4
95.08593	32.9
95.33980	1.9
97.02869	4.9
97.06507	5.6
97.10161	12.2
99.04425	10.6
99.08088	4.7
105.03370	5.1
105.04505	3.1
105.07000	22.2
107.04945	6.2
107.08572	27.6
109.06487	6.2
109.10143	58.5
111.04439	4.1
111.08099	4.3
113.09643	2.6
115.05430	2.9
117.07039	11.8
119.08559	21.7
121.06490	5.5
121.10132	29.3
123.08055	4.9
123.11648	4.4
125.09606	11.9
127.89553	2.1
128.06126	1.8
129.05473	3.9
129.06978	5.8
131.08548	18.0
133.10089	14.2
135.08058	6.0
135.11668	19.1
135.29689	2.0
137.09610	5.4
143.08516	3.5
145.10097	16.3
147.08011	4.5
147.11629	9.7
149.05908	2.5
149.09604	7.1
149.13272	5.5
151.11098	2.4
155.10690	4.1
156.09227	1.9
157.08571	2.9
157.10065	2.0
159.11659	8.0
161.09584	2.5
163.11169	7.3
165.09135	2.5
171.11659	2.7
173.09460	2.3
173.11728	16.0
173.13287	6.7
175.11073	2.4
181.12302	2.6
185.63353	2.1
189.11188	4.4
193.12251	4.4
199.13281	5.9
215.17921	12.7
227.12758	4.4
229.14311	34.2
233.18968	10.8
255.15744	3.5
256.26251	4.4
257.13770	2.8
267.15988	6.6
273.18430	6.5
291.19467	5.6
307.22607	51.5
315.17880	4.5
335.22141	4.2
336.25851	2.3
365.22855	3.4
385.21771	2.3
399.23697	3.6
449.32452	8.2
461.32526	53.1
462.32513	2.7
547.35956	3.3
565.32288	4.6
762.39752	15.8
763.42029	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	762.556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05503	6.6
57.03431	2.1
57.07067	32.3
59.04984	2.4
61.02900	1.2
67.05492	8.5
69.03420	1.6
69.07053	2.9
71.04965	1.3
71.08621	21.2
73.02892	2.2
73.06544	9.5
75.50105	1.3
77.80467	1.1
79.05482	5.4
81.03413	1.6
81.07054	5.9
83.04967	1.2
83.08616	4.6
85.02872	1.4
85.10168	19.8
87.04459	16.4
89.06019	100.0
91.05468	3.6
93.07031	4.4
95.04959	1.9
95.08584	2.7
97.06544	1.1
97.10156	3.9
99.11736	3.2
105.07029	2.4
107.07058	2.5
107.08578	4.1
109.06467	1.2
109.10128	3.0
111.11673	1.4
113.05998	1.3
113.13295	1.6
115.22202	1.0
117.09119	10.5
119.08566	1.7
120.40038	0.9
121.10151	2.3
125.09566	1.8
130.08611	1.9
131.07014	3.4
131.08568	1.2
133.08589	49.5
133.10127	2.3
135.10202	1.3
135.11688	1.7
145.10143	1.4
147.08023	1.0
155.17914	4.3
161.11737	3.4
175.09666	3.0
177.11195	20.5
199.20522	2.0
219.12268	1.4
221.13835	3.5
229.14326	1.3
239.14818	1.1
240.23236	1.5
243.23128	9.1
256.26297	1.4
265.16321	1.4
273.18604	1.2
287.25760	3.6
291.19562	1.3
307.22433	1.5
407.12970	1.0
467.95654	1.0
514.35437	1.0
693.50470	1.1
745.52942	2.0
762.40088	3.7
762.55054	1.6
763.42206	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	763.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
53.37661	0.6
55.01865	0.9
55.05481	1.2
57.03421	1.7
61.02926	3.8
67.05470	0.9
68.99791	0.7
69.03422	34.0
69.07049	0.8
71.04961	2.0
77.03899	1.0
77.96313	0.6
79.05476	1.3
81.03407	14.0
81.07036	1.9
83.01315	2.2
83.04972	9.9
85.02894	31.1
91.05444	2.0
91.69212	0.6
91.75343	0.6
94.06541	0.9
95.04962	7.0
96.05294	1.0
97.02880	33.3
98.22692	1.8
99.04448	10.1
101.02370	1.0
105.03380	35.9
105.04406	3.9
105.07003	1.5
106.03710	6.6
109.02865	77.4
110.03208	0.8
111.00708	1.0
111.04428	18.5
115.03916	0.9
117.07024	0.9
119.04898	1.4
119.38949	0.6
121.02841	2.1
124.07561	1.9
125.78741	0.7
127.03898	44.8
133.02780	0.8
133.06471	0.8
135.08124	0.8
139.03810	4.4
141.06970	0.8
145.04916	13.3
145.06148	1.0
146.09665	0.8
153.01778	2.1
153.05440	11.0
157.08864	4.0
158.09409	1.3
160.07433	0.8
169.04962	8.4
171.06526	1.2
173.08369	1.2
174.09071	2.0
187.05989	10.1
205.07062	12.4
213.05452	0.9
213.07518	0.7
229.10321	1.0
231.06401	0.9
241.04932	0.8
258.05142	0.9
261.33026	0.7
273.09860	1.0
280.06833	0.7
287.05457	100.0
288.05762	3.4
592.37769	0.7
640.25494	1.0
641.25891	1.5
762.28876	7.4
763.29041	31.8
764.27740	0.9
767.39557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01863	3.5
55.05503	3.6
57.03423	2.6
61.02909	1.4
67.05495	4.8
69.03417	9.0
69.07053	6.3
71.01347	0.9
71.04980	4.4
73.77352	0.6
79.05480	9.7
80.05804	0.6
81.03407	38.3
81.06612	1.1
81.07047	12.0
82.07328	0.7
83.04965	6.7
83.08607	2.1
85.02893	24.9
85.03405	1.5
85.06100	0.6
91.05464	7.6
93.07043	5.8
95.04975	4.2
95.08601	3.5
97.02879	15.7
97.06517	2.5
97.10134	0.8
99.04446	14.0
103.03931	11.4
103.05399	0.9
105.07021	5.5
107.04958	1.8
107.08563	4.5
107.70616	0.6
109.02863	68.4
109.06504	3.9
109.10140	1.5
111.04428	9.9
111.08045	1.0
117.07031	1.2
119.08578	5.5
120.08865	0.7
121.02850	2.0
121.06493	1.1
121.10157	2.5
123.08041	2.8
125.05978	0.8
125.09630	2.6
127.03898	94.8
128.04216	1.2
129.05467	1.0
129.07004	2.4
131.08545	3.3
133.06456	0.9
133.10123	2.1
135.08041	2.6
137.09589	2.4
139.03888	2.1
142.07672	0.8
143.07031	2.4
143.08591	1.1
145.04939	5.4
145.10075	1.2
147.08020	2.0
147.11655	1.7
149.09589	1.8
153.01833	3.0
153.05418	3.2
153.09056	3.1
157.10124	3.1
161.09579	2.1
163.11182	0.8
165.01794	1.4
165.09090	2.6
169.04956	21.1
169.06407	1.1
171.06569	1.5
175.11142	1.8
181.08546	0.8
183.02988	0.6
187.06000	15.2
187.07385	0.6
193.12260	3.9
194.12584	0.9
199.09651	2.2
199.14888	2.0
211.06010	1.1
211.13245	8.0
211.57382	0.8
212.13640	1.0
213.05479	0.9
217.15881	3.4
218.16272	0.8
229.07033	22.1
230.07513	0.7
231.08601	2.7
245.15398	7.2
246.15701	2.1
247.08092	11.9
258.05038	1.2
262.35458	0.6
263.16409	4.8
264.16696	0.8
267.15839	2.2
281.17349	0.7
285.16919	6.6
286.17404	1.3
287.05460	100.0
288.05826	2.8
319.18896	1.3
337.20007	3.6
338.20444	1.0
355.21063	2.6
356.21436	0.7
515.31219	0.7
517.13074	2.3
529.31726	3.2
530.32037	1.5
547.32581	4.2
548.32635	2.3
565.33496	2.4
566.33685	1.7
694.54065	0.8
763.33148	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
53.66277	0.7
54.33140	0.6
55.01854	1.4
55.05507	2.1
57.03432	2.5
58.34381	0.7
61.02920	6.3
67.05487	4.2
69.03420	4.3
69.07082	1.8
71.01334	0.8
73.02906	4.2
79.05477	5.6
81.03397	5.3
81.07037	5.3
83.04987	1.3
83.08611	1.4
85.02890	5.5
91.03969	2.9
91.05470	11.5
93.07050	4.5
95.04980	3.0
95.08602	2.3
97.02879	6.8
97.06503	0.9
97.10192	1.5
99.04466	1.4
101.02409	2.9
103.03940	0.7
105.03378	5.8
105.07003	3.9
106.03764	0.9
107.04967	2.1
107.08583	4.1
108.01537	0.7
109.02875	1.5
109.06461	1.1
109.10117	0.9
111.04465	0.9
115.03963	1.0
115.05441	0.7
117.07003	3.7
119.08601	2.1
123.08109	0.9
125.09647	1.6
127.03930	1.9
129.05469	0.8
131.08575	1.4
133.10139	2.4
135.08009	4.9
137.02332	0.7
145.10118	0.7
147.11768	0.8
149.09700	1.0
160.35480	0.7
161.09647	1.4
163.07643	0.8
185.04292	1.3
195.55515	0.7
243.08321	4.3
303.06943	1.1
315.10526	0.8
332.77377	0.8
349.20029	1.3
437.17758	4.8
439.15463	7.1
451.27875	0.7
467.18924	2.1
487.55023	0.7
548.32629	1.1
565.26465	2.6
567.27533	1.3
763.36267	100.0
764.36084	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	763.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01867	1.5
55.05509	2.5
57.03435	2.1
61.02916	4.0
63.84975	0.5
66.53072	0.4
67.05495	4.9
69.03423	3.1
69.07061	2.6
71.01353	1.0
71.04992	1.3
71.44032	0.6
73.02932	2.8
79.05480	5.5
81.03410	3.1
81.07049	4.8
83.04964	1.2
83.08601	1.3
85.02896	5.6
88.48876	0.5
89.70087	0.5
91.03942	2.9
91.05461	3.2
93.07028	4.8
95.04977	1.9
95.08635	1.9
97.02883	3.7
97.06541	0.9
97.10191	1.7
99.04467	0.8
101.02399	2.2
105.07034	1.9
107.04941	0.9
107.08578	3.1
109.02881	1.2
109.06507	0.8
109.10172	1.5
112.85109	0.6
117.07030	0.8
119.08562	1.4
121.10149	1.2
125.09587	1.0
127.03950	1.6
130.23520	0.5
133.10133	1.6
135.08063	1.6
135.11670	2.9
137.09634	0.8
145.10161	1.3
163.11285	0.8
173.27841	0.6
181.12187	0.8
185.04274	1.2
188.73679	0.6
221.11473	1.2
243.08368	5.5
301.08765	0.8
315.10632	0.6
323.68997	0.5
347.17819	0.6
369.15674	0.7
385.18887	0.6
435.75616	0.6
439.19397	10.7
467.18768	0.8
511.21375	1.1
565.25909	5.7
567.26794	0.9
625.04620	0.6
763.38586	100.0
764.39093	8.5
787.95013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01876	0.8
55.05517	2.7
57.03418	2.5
61.02921	5.2
67.05504	4.9
67.62713	0.6
69.03417	4.1
69.07061	1.7
71.05003	1.1
71.33303	0.5
73.02921	3.9
79.05491	5.7
81.03407	3.6
81.07047	5.4
83.04989	0.9
83.08641	1.4
85.02896	5.7
85.16426	0.5
91.03948	2.7
91.05467	5.0
93.07033	4.9
95.04955	2.8
95.08591	3.1
97.02887	4.9
97.06516	0.6
98.23522	0.9
99.04497	0.7
101.02383	1.2
105.07018	4.6
107.08559	2.7
109.02921	0.8
109.06548	1.3
109.10152	1.3
117.06995	0.7
119.07884	0.6
119.08559	3.6
121.10165	2.4
123.08073	0.7
127.03945	1.2
129.07036	1.5
131.08612	2.2
133.10103	3.0
135.11751	1.6
145.10172	1.4
147.11736	1.7
151.11174	0.6
157.10101	1.0
159.84950	0.5
171.11809	0.8
175.11343	0.5
185.04218	0.8
193.12236	0.6
243.08405	3.3
251.10101	0.6
251.12723	1.7
291.19577	0.7
301.09009	1.4
314.41208	0.6
315.10489	0.9
410.26312	0.6
465.20905	0.9
469.20444	6.1
513.87537	0.6
535.28662	6.9
536.30090	0.5
541.22729	1.2
719.13092	0.6
761.97546	0.6
763.42151	100.0
764.42627	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	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01876	0.9
55.05504	2.0
57.03432	2.6
61.02917	6.4
62.60646	0.7
67.05493	6.5
69.03421	4.5
69.07063	1.2
71.04998	1.2
73.02901	5.0
79.05488	4.7
80.05836	0.8
81.03429	2.6
81.07048	6.5
83.04953	1.2
83.08628	1.5
85.02904	6.9
86.09680	1.0
90.59543	0.7
91.03955	2.9
91.05485	3.2
93.07030	5.4
93.27050	0.7
95.04974	1.2
95.08588	5.2
97.02872	6.7
97.06537	1.3
98.23404	2.2
99.04488	1.0
101.02387	3.1
103.03938	0.8
105.03403	0.9
105.07030	2.1
107.08604	3.1
109.02888	0.8
109.10162	2.3
109.63114	0.7
117.07015	0.7
119.08587	1.8
121.10149	2.5
127.03932	1.9
129.07014	0.9
131.08582	1.6
133.10136	1.2
135.11606	1.2
145.10130	2.2
147.11787	1.1
163.11212	1.1
171.04974	0.7
184.07404	2.9
243.08432	1.7
246.61938	0.7
267.12070	1.7
281.01865	0.7
295.15314	1.0
303.31677	0.7
328.78912	0.7
335.25809	0.8
441.17468	1.0
467.18835	1.5
485.19965	3.7
491.26230	2.8
513.23755	0.8
519.29095	4.6
601.38245	0.9
719.39966	1.7
745.41339	5.5
763.42206	100.0
764.42499	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	763.423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79315	0.6
55.01848	0.8
55.05498	2.3
57.03424	3.2
59.76460	0.6
61.02914	6.9
65.95057	0.7
67.05490	7.8
69.03420	4.1
69.07060	2.3
71.01359	1.0
73.02905	4.4
79.05479	5.5
81.03398	3.7
81.07043	5.9
83.08613	1.8
85.02885	6.4
91.03944	3.9
91.05461	3.2
93.07039	5.0
95.05000	1.1
95.08588	4.3
97.02866	5.9
97.06547	1.1
97.10144	0.9
97.29464	0.6
99.04469	1.2
101.02390	2.6
105.07033	2.5
107.04997	0.7
107.08591	2.7
109.02896	1.0
109.10162	2.6
115.24789	0.6
119.08614	2.2
121.10146	2.2
123.08012	0.8
127.03944	1.6
131.08522	1.3
133.10144	1.2
135.11676	1.1
143.08554	0.7
145.10153	1.4
163.11160	1.6
185.04208	1.1
193.12202	1.1
193.50996	0.7
203.05240	0.9
243.08365	1.4
267.11951	3.1
307.22507	0.7
335.25720	1.3
338.27612	0.9
412.71671	0.7
441.17392	1.1
449.67130	0.7
467.19263	0.7
485.19760	3.3
490.28625	0.7
519.29327	6.2
719.39795	1.5
720.41919	0.7
745.41168	1.3
763.42224	100.0
764.42603	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	764.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22849	1.0
57.03421	0.9
58.06592	1.3
61.19262	0.9
67.05491	1.2
69.03423	4.1
70.06587	3.4
71.05008	1.2
75.04468	2.5
77.03931	3.0
79.05486	1.7
81.03403	3.2
81.07066	2.1
82.06577	0.9
84.08107	1.1
85.02882	4.8
86.06046	1.5
91.05478	4.0
93.07067	1.1
94.06558	2.1
95.04947	14.0
96.08109	1.0
97.02893	2.0
98.22607	1.6
105.03377	80.2
105.04515	3.7
105.07021	1.5
106.03730	1.1
108.08116	2.6
109.02879	1.9
109.06520	2.5
111.08076	3.2
111.74072	0.8
112.07616	2.8
116.10745	2.1
117.07019	3.2
120.08105	1.8
122.05959	0.9
124.07600	1.2
124.30129	1.1
126.09118	1.2
127.03924	2.5
128.06212	1.4
129.07001	1.0
131.08586	2.5
132.08044	1.7
135.08005	1.4
137.05980	3.0
138.09129	2.7
140.07120	1.0
141.07039	1.5
144.64914	1.1
145.02814	1.0
147.04364	2.2
147.07997	1.1
150.09094	1.2
158.09641	2.3
159.08005	1.1
160.07599	3.6
165.05499	1.0
167.07112	2.1
167.08519	1.4
169.06442	1.1
170.09584	1.2
172.11279	1.0
174.05539	1.0
176.07008	1.2
177.05502	3.1
178.05022	1.0
179.08542	1.4
181.06479	1.6
185.09570	0.9
188.10764	2.3
197.05751	1.0
204.13890	2.6
205.10109	2.3
206.04550	2.5
207.08192	1.0
212.16614	1.1
217.10130	1.4
221.09641	1.6
223.11133	1.0
233.09711	1.8
235.11230	1.1
245.09639	1.5
282.14954	1.3
293.49747	0.9
294.12262	1.1
313.68408	1.1
326.17719	1.3
336.15836	1.0
340.19189	1.2
354.16919	12.6
368.18240	1.0
374.21680	1.2
390.22699	2.0
462.22705	1.8
464.20676	2.0
480.23846	3.3
490.22501	1.1
506.21844	1.9
508.23422	1.5
512.26434	4.4
522.24731	2.0
524.22546	4.3
540.25854	3.4
566.23926	1.7
572.28357	22.9
573.28857	1.5
584.25238	3.5
764.31073	100.0
765.31555	9.3
792.98438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
58.06598	1.4
67.05476	1.0
69.03423	2.3
71.04989	1.3
73.45332	0.9
74.06107	0.9
75.04473	2.7
77.03921	2.2
79.05498	1.7
80.38044	0.9
81.03407	2.0
81.07046	1.5
85.02935	4.1
86.06083	1.1
87.04483	1.0
91.05481	3.6
92.76160	0.9
93.07030	1.2
94.06551	2.3
95.04958	13.4
96.08130	1.5
97.02882	2.2
105.03381	88.3
105.04401	5.6
105.07028	1.8
106.03706	1.1
108.08073	2.4
109.02874	1.4
109.06508	2.0
111.08087	3.8
112.07619	1.4
116.10701	1.9
117.07025	2.7
119.08575	1.0
120.08109	1.9
121.06516	1.5
126.09202	1.4
127.03888	1.3
128.06203	1.6
129.07031	3.5
131.08546	1.9
135.08052	1.1
137.05984	2.2
137.70224	1.0
138.09138	2.8
141.07057	1.5
142.08673	1.5
144.08038	1.5
145.06573	1.4
146.03572	1.2
146.09653	1.8
147.08058	1.1
148.07578	1.6
149.05885	1.0
158.09668	2.2
160.07570	5.1
160.11284	1.2
161.09669	1.1
164.10724	1.1
165.06967	1.6
167.08598	2.1
169.06526	1.3
172.11264	2.2
173.06052	1.1
174.09320	1.0
176.07137	1.0
176.10750	1.7
177.05470	1.9
178.05067	1.2
178.07809	1.4
179.08548	1.6
185.06036	1.4
188.10707	1.9
190.07674	0.9
193.10175	1.1
202.12312	1.4
203.08580	2.3
204.13806	2.5
205.10173	2.2
206.04529	1.6
207.08116	1.2
215.08730	1.6
217.10185	1.2
219.08078	1.7
221.09818	1.2
233.09721	2.2
235.07652	1.4
237.09157	1.4
241.12238	1.0
251.10632	1.8
256.13480	1.1
261.09134	2.9
263.10669	1.3
293.11758	1.0
304.13315	0.9
325.14349	1.6
326.17450	2.7
336.15979	2.0
340.19159	2.6
354.16922	14.5
356.67465	1.0
358.20132	1.9
361.31570	1.0
372.21811	1.3
390.22733	2.1
446.19226	1.1
462.22699	2.6
464.20551	1.0
476.21014	1.3
480.23856	2.9
490.22247	1.6
496.23056	1.2
506.22031	2.0
508.23273	2.5
512.26447	6.2
522.24902	2.7
524.23151	2.5
540.25958	4.6
566.23865	1.2
572.28430	26.6
572.37598	1.4
573.29401	1.6
584.25244	2.0
645.67206	1.0
663.79303	1.1
764.31049	100.0
765.31146	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	764.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04717	0.1
69.03432	0.1
78.04700	1.0
79.05486	0.8
80.06547	0.1
81.03402	0.2
81.07024	0.1
84.94447	0.1
85.02900	0.6
91.05473	0.4
93.07040	0.2
95.04944	0.3
97.02877	0.2
103.05462	0.2
105.03381	0.2
105.04506	0.1
105.07000	0.5
106.04139	0.5
107.04951	1.6
109.06514	0.1
115.05424	0.2
121.06478	0.4
122.03654	0.3
123.03516	0.1
123.04410	2.6
124.05199	1.1
127.03905	0.1
133.06482	0.7
134.03600	0.3
135.04391	0.1
135.08084	0.2
137.05963	0.3
146.98868	0.1
149.05949	0.6
151.03874	0.5
152.04666	1.1
161.05962	0.7
162.07629	0.1
163.07530	0.6
163.30659	0.1
166.06296	0.2
167.07010	100.0
168.07339	2.0
173.78514	0.1
175.07559	0.1
177.05457	0.1
179.07030	0.4
181.08527	0.8
193.08571	4.3
194.08948	0.1
195.10136	0.5
211.09616	23.3
212.09920	0.7
213.11188	2.5
239.08971	0.2
261.88092	0.1
305.50241	0.1
305.54468	0.1
310.87665	0.1
319.11829	0.1
387.14514	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	764.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39917	2.6
55.05505	11.6
55.53402	2.9
57.03422	11.5
67.05492	61.2
69.07050	16.9
79.05482	55.9
79.95769	3.2
81.07044	63.6
83.08617	8.2
91.05468	25.9
93.07030	54.4
95.04940	5.5
95.08589	52.4
99.08089	3.4
105.04459	3.7
105.07008	22.9
107.08571	30.3
109.06497	3.8
109.10129	33.9
111.01817	3.4
117.07007	9.6
118.92370	3.6
119.08535	16.5
121.10118	34.8
123.11719	11.2
131.08537	19.0
133.10117	23.6
135.11661	22.1
145.10077	15.0
147.11665	18.6
149.13284	17.3
157.10141	7.3
159.11671	13.1
161.13263	12.7
163.14760	4.1
173.13216	10.5
175.14693	3.5
187.14822	4.5
191.14430	3.3
213.16330	5.7
215.17929	14.9
231.17424	7.0
233.18970	16.1
259.20596	5.2
261.22141	12.3
307.19131	5.3
307.22614	77.5
308.23004	4.7
309.24261	7.9
333.23819	3.6
335.25745	100.0
336.25845	4.5
337.27383	5.6
353.71896	4.0
439.91824	3.4
567.43909	26.1
585.44739	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	764.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	30.4
57.03432	16.3
57.07083	4.2
61.02931	4.0
65.03941	4.8
67.05494	100.0
69.03419	2.9
69.07060	20.9
71.04975	5.2
79.05481	87.0
81.07044	94.5
83.08583	14.1
85.02908	4.8
85.06546	5.5
87.07098	3.3
91.03913	3.5
91.05466	44.5
93.07027	86.8
93.07594	5.9
95.04967	11.1
95.08591	69.4
96.61668	2.7
97.02853	3.9
97.06512	4.2
97.10156	5.2
98.23466	11.0
99.08109	3.7
105.04563	3.0
105.07019	31.2
107.08579	46.3
109.10149	28.5
110.76896	2.8
111.08020	3.7
117.06989	15.9
119.08578	24.7
121.10135	36.9
123.08049	3.2
123.11681	10.9
129.07065	4.1
131.08539	26.8
133.10089	27.4
135.11667	31.9
143.08492	3.2
145.10106	20.5
147.11661	25.9
149.13249	18.0
157.10168	5.6
159.11725	15.5
161.13261	7.6
163.14830	7.1
173.13266	13.7
175.14819	3.4
185.13226	3.3
187.14804	5.2
213.16405	6.3
215.17921	21.1
231.17458	9.0
233.19025	17.2
243.20901	3.7
259.20541	5.6
261.22122	10.9
307.22620	82.1
309.24261	5.2
317.24673	5.4
335.25754	88.0
336.26166	5.3
337.27365	8.9
567.44141	24.5
568.44214	3.2
585.45123	16.4
590.96411	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	765.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03423	0.6
61.02919	1.4
62.40580	0.5
67.01849	1.6
67.05476	0.7
67.18027	0.4
68.99767	0.8
69.03419	12.1
71.04990	4.5
71.45858	0.5
73.02901	0.8
79.05460	1.0
81.03410	23.1
81.07061	0.8
83.01372	0.6
85.02893	6.0
86.06035	0.6
88.44223	0.5
93.02406	0.5
93.07011	0.6
95.08585	0.8
97.02882	36.2
99.04446	17.2
99.66781	0.5
103.03936	1.7
105.03417	0.7
105.07012	0.6
107.08590	0.8
109.02867	45.3
109.10124	0.5
110.77401	0.5
111.00743	1.1
115.03929	1.5
121.02861	0.7
127.03901	100.0
128.04234	1.2
131.08566	0.6
137.02348	2.5
137.05960	0.5
139.03877	7.7
145.04935	6.3
147.11681	0.6
153.01796	2.5
157.04939	4.5
159.11630	0.5
159.58224	0.5
163.03932	0.6
165.01840	1.8
169.04941	7.2
177.05484	1.0
187.05997	25.1
199.06001	0.6
201.05493	1.3
217.07045	6.8
229.04904	2.9
229.07013	23.0
230.07550	0.6
247.08054	3.8
257.04474	1.9
274.04633	0.5
285.03851	1.3
287.05511	4.0
303.04950	98.5
304.05328	3.3
519.11383	2.9
764.36243	0.9
765.34003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
56.86580	0.4
57.03425	0.7
61.02923	0.7
67.01858	1.7
67.05502	0.8
68.99782	0.7
69.03423	10.3
71.04984	3.6
81.03407	20.4
81.03893	1.0
81.07030	0.6
83.01321	0.6
83.34446	0.4
84.69610	0.4
85.02897	6.5
91.05482	0.6
95.04956	0.6
97.02882	15.0
99.04440	12.2
101.09072	0.4
103.03934	1.1
109.02863	42.1
109.10120	0.6
111.00790	0.8
115.03882	0.7
121.02850	0.8
127.03900	67.6
128.04298	0.9
137.02348	2.8
139.03925	2.2
145.04953	3.3
153.01826	2.3
157.04974	1.1
165.01813	1.7
166.87846	0.4
169.04938	6.2
183.02916	0.6
187.05998	17.4
201.05382	1.2
217.06958	0.6
229.04932	2.9
229.07068	12.7
247.08110	2.1
254.97250	0.5
257.04407	2.1
285.03900	1.3
287.05630	0.7
303.04947	100.0
304.05273	3.0
453.08084	0.6
519.11261	8.2
765.38086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05510	1.6
55.55190	0.3
57.03432	1.9
61.02916	3.8
67.05487	2.7
69.03426	2.7
69.07050	2.5
71.01374	0.4
71.05002	0.4
73.02906	2.7
79.05482	4.7
81.03403	3.2
81.07051	3.1
83.01294	0.3
83.04990	1.1
83.08609	1.1
87.04427	0.3
91.03928	2.2
91.05466	5.9
93.07032	2.5
95.04953	1.7
95.08611	1.1
97.02885	3.9
97.06523	0.9
97.10173	1.0
98.71533	0.3
99.04451	0.9
101.02373	1.8
105.03410	1.3
105.04508	0.4
105.06990	1.6
105.39791	0.3
107.04977	1.2
107.08573	2.5
109.02895	0.8
109.06521	0.7
109.10152	0.5
111.04414	0.9
115.03929	0.4
115.05466	0.5
117.06998	4.0
119.04897	0.3
119.08585	1.9
121.10162	0.6
123.08076	0.6
125.09658	0.9
127.03957	1.3
135.08029	5.3
135.11691	0.4
137.09554	0.4
161.09624	0.4
163.07509	0.5
163.11224	0.9
185.04243	1.0
199.09773	0.4
203.05264	0.5
225.55302	0.4
239.12798	0.7
243.08403	3.1
255.12364	0.9
273.18585	0.4
284.86728	0.4
291.19662	0.6
301.08752	0.5
303.06915	1.0
328.74005	0.3
349.19812	2.3
385.18118	0.4
405.22739	0.4
411.16580	0.8
439.15598	9.2
440.16577	0.4
443.53784	0.4
511.18051	0.6
532.33527	1.0
567.27899	3.7
621.25336	0.5
630.42871	0.4
765.36566	100.0
766.36902	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	765.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05506	2.2
57.03434	2.1
60.02867	0.5
61.02919	3.9
64.50723	0.5
67.05496	3.7
69.03412	2.9
69.07062	1.8
73.02911	3.5
76.54787	0.5
79.05496	2.4
81.03410	5.0
81.07043	2.8
83.04952	0.6
87.04470	0.7
89.85496	0.5
91.03956	1.7
91.05468	7.4
93.07013	3.6
95.04960	1.9
95.08600	2.0
97.02882	3.8
97.10133	0.6
101.02383	1.2
105.03384	2.7
105.07053	1.5
107.04979	0.6
107.08575	1.0
109.02867	0.8
109.10184	1.1
113.98040	0.5
115.03964	0.5
117.07030	1.2
119.08566	5.6
121.06503	0.6
121.10094	0.9
123.08096	0.7
125.09619	0.9
127.03934	1.5
129.06967	0.8
133.10117	0.9
135.08101	0.8
137.09575	2.7
138.70197	0.5
145.10196	0.7
147.08049	1.9
165.09172	1.7
188.85289	0.5
203.05353	0.6
243.08379	4.2
257.42474	0.5
259.07910	0.6
279.12064	0.9
301.09189	0.6
303.06714	0.7
347.18320	1.0
374.38217	0.7
380.00717	0.5
407.23996	0.6
441.17203	9.7
492.29077	0.6
513.19318	0.8
565.26312	2.3
605.25385	1.0
667.28687	0.7
679.29791	0.9
765.36523	100.0
766.36951	8.7
790.52057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05507	1.7
57.03441	1.5
61.02917	4.5
67.05492	4.4
69.03425	2.8
69.07056	2.5
71.01353	0.7
71.04987	0.7
73.02903	2.5
77.59904	0.3
79.05483	4.0
80.33471	0.3
81.03410	2.5
81.04960	0.3
81.07040	4.1
83.04980	1.4
83.08618	1.0
84.11031	0.3
85.06573	0.4
91.03954	2.0
91.05457	2.5
93.07032	4.3
95.04984	1.5
95.08616	1.7
97.02885	3.9
97.06541	1.2
97.10175	2.1
98.22661	1.2
99.04450	1.1
101.02384	1.7
103.03961	0.5
105.03439	0.4
105.07005	0.8
106.70760	0.4
107.08578	3.3
109.02923	0.9
109.06522	0.5
109.10166	1.0
111.04452	0.6
115.03895	0.5
117.07044	0.5
119.08605	1.5
121.10178	1.1
123.08094	0.8
125.09652	0.8
127.03948	1.5
130.20854	0.4
131.08522	0.6
133.10123	0.7
135.08186	0.4
135.11684	5.0
137.09647	0.4
145.10153	1.4
147.11682	0.5
149.09671	0.4
163.11234	1.1
170.24896	0.3
181.12294	0.7
185.04271	0.8
186.21819	0.4
189.11197	0.4
200.81111	0.3
221.11603	1.1
243.08368	3.6
255.16144	0.4
277.14133	0.6
283.15186	0.5
291.19449	0.5
301.09103	0.9
315.10602	0.5
348.66553	0.4
349.19962	2.1
369.14951	0.4
373.11188	0.6
405.22598	0.5
429.17352	0.6
439.19339	12.2
439.25323	0.6
440.20047	0.7
451.19415	0.4
501.50772	0.4
505.23926	0.7
511.21536	1.4
567.27692	4.2
649.31830	0.8
765.40228	100.0
766.40631	6.8
799.66388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.05503	1.0
56.97664	0.5
57.03426	2.4
59.70980	0.5
60.57098	0.6
61.02923	7.0
67.05496	5.8
69.03429	3.9
69.07083	2.3
71.01343	0.8
71.05007	0.8
73.02559	0.7
73.02910	4.4
79.05495	4.1
79.72842	0.5
81.03410	2.7
81.07050	6.3
83.04975	0.7
83.08602	0.9
86.76552	0.5
89.17868	0.5
89.47808	0.5
91.03942	3.6
91.05477	3.6
93.07041	4.7
93.54329	0.6
95.04995	1.6
95.08594	4.0
97.02890	4.4
97.10189	0.6
98.22665	1.2
99.04442	1.0
100.17651	0.5
101.02361	2.7
103.03944	0.6
105.07050	1.9
107.08595	1.7
109.02876	0.9
109.06515	0.9
109.10195	1.6
117.07018	0.9
119.08575	1.3
121.10133	3.5
127.03930	1.2
131.08603	1.5
133.10144	1.7
135.11691	1.0
136.79076	0.6
145.10146	0.8
147.11758	1.0
149.09666	1.1
157.10214	0.7
185.04207	0.6
187.95334	0.8
193.12332	0.8
203.05353	0.7
243.08403	3.7
244.08997	0.6
251.12584	0.7
269.13623	2.0
315.10309	0.6
315.86392	0.6
335.25763	1.0
443.18906	3.8
443.24185	0.7
469.20709	1.8
487.21329	4.1
519.29279	8.7
539.65173	0.6
553.10474	0.5
622.09564	0.6
721.41705	1.5
747.43158	2.5
765.43860	100.0
766.44165	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	766.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
57.03432	1.8
58.06579	0.8
60.77434	0.4
61.02905	1.8
67.05499	0.5
69.03417	8.5
70.06582	1.0
71.04987	1.0
71.44461	0.4
73.02884	2.2
74.06069	0.5
75.04453	0.5
77.03905	2.0
79.05487	0.9
81.03403	2.8
81.07053	0.6
82.06577	0.6
85.02889	10.5
85.06519	0.5
87.04449	1.7
91.03939	0.5
91.05452	2.0
93.06978	0.5
94.06553	1.4
95.04955	10.3
96.08099	1.1
97.02885	5.1
97.06496	0.6
97.20940	0.4
98.06030	0.7
99.04456	0.9
101.02368	0.6
103.05449	0.5
105.03379	68.1
105.04510	3.3
105.07041	1.2
106.03709	1.6
107.04950	0.7
108.08097	1.8
109.02879	1.8
109.06483	0.8
112.07587	1.0
115.04034	0.4
115.05429	0.8
117.06998	1.4
119.04939	0.5
120.08099	0.7
121.06505	0.5
122.09585	0.4
123.04395	0.6
124.07583	1.0
126.09128	0.5
127.03902	1.3
128.06183	0.5
129.06990	1.6
131.04918	0.4
131.08569	0.6
132.08052	0.8
133.06511	0.5
134.09656	1.4
136.07533	0.9
137.05997	1.4
141.06993	0.7
143.08575	0.5
144.08052	0.4
145.04970	0.5
145.06461	0.9
146.06006	0.5
146.09650	0.9
147.04422	1.0
147.08037	0.8
149.00684	0.4
149.06012	0.4
150.09154	0.7
153.07025	0.6
155.08534	1.3
157.06471	0.9
158.09633	0.8
159.07994	0.7
159.48607	0.4
160.07573	1.9
160.11127	0.5
161.05890	0.7
161.09598	0.5
162.09097	0.5
165.05536	0.9
165.07042	1.3
166.07713	0.7
167.07169	0.9
167.08583	1.5
169.10095	0.5
170.09563	0.6
172.11168	0.8
173.05934	0.6
174.05591	0.8
174.09010	0.4
177.05504	1.3
178.07765	0.8
179.08545	1.0
180.09207	0.5
181.06425	0.6
181.10072	0.9
183.07990	0.6
188.10718	0.5
190.07788	0.7
190.12247	1.1
191.08478	1.0
192.09346	0.7
193.10152	0.6
195.08003	0.5
199.07570	0.5
200.10712	0.7
202.07936	0.8
203.08591	0.8
205.10127	1.5
207.08093	0.6
209.09743	0.9
212.10838	0.4
215.08618	0.7
217.10144	0.5
221.09657	1.0
223.11150	1.0
233.09644	1.6
235.11163	0.7
237.09108	0.5
238.12535	0.4
240.13889	0.7
242.11726	0.6
249.09138	0.4
250.09619	0.4
251.10701	0.9
261.09045	0.9
263.10632	0.8
265.12079	0.4
268.13339	1.0
279.10080	0.9
287.05548	0.9
312.15936	0.7
322.14386	0.9
326.17517	0.5
328.15445	0.5
340.15338	1.8
344.18759	0.7
354.17120	0.9
358.16254	0.5
372.18301	0.7
386.19824	0.7
411.17331	0.4
420.18167	0.7
422.19644	1.6
448.21106	1.0
450.19049	1.7
464.20651	0.5
466.22272	1.5
476.20523	2.1
480.20227	1.0
482.21649	0.9
484.23575	0.7
494.21857	1.5
506.22916	0.5
508.23227	3.5
512.22766	1.4
526.24408	2.8
544.25378	4.8
573.29828	0.5
574.28870	0.5
586.26361	0.9
604.27417	1.7
644.27356	0.5
646.28613	0.5
670.28436	1.0
688.28717	0.8
706.30554	5.0
766.32629	100.0
767.33051	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	766.327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	1.5
58.06580	1.2
59.04699	1.1
59.04993	19.4
63.10535	1.0
65.03931	1.0
69.03411	4.8
70.06596	1.2
71.44509	1.4
79.05495	2.6
81.03412	2.4
81.55566	1.0
85.02892	7.4
91.05478	1.6
95.04965	3.2
95.08570	1.4
97.02885	5.3
97.06518	1.2
99.04433	1.0
105.03388	11.2
105.07014	1.2
107.04882	1.4
107.08552	1.1
109.02879	2.9
112.07619	1.8
117.09098	6.6
119.04927	2.5
125.06037	1.4
127.03903	3.7
129.07001	1.2
131.04907	1.6
133.02840	1.2
133.06483	3.0
137.05942	3.0
144.78149	1.0
145.06555	1.2
147.04446	2.2
151.07500	3.2
153.05476	1.0
159.07993	1.2
161.05960	1.4
163.07521	3.2
165.05417	1.0
167.07005	7.9
175.07507	1.9
175.13315	5.4
177.05437	2.0
177.09085	11.8
179.08522	1.3
181.04965	3.0
189.09044	1.7
193.08560	8.5
206.39702	1.2
207.08101	2.0
207.10048	1.1
212.16397	1.9
219.08141	1.9
219.10269	1.5
221.05841	1.3
221.09740	2.4
221.11702	3.5
222.06676	1.1
223.07533	1.4
224.08362	2.4
225.09044	1.4
233.17377	1.2
235.07484	2.8
236.08244	2.1
237.05420	1.3
237.09103	2.0
248.08202	1.5
249.09039	5.1
250.06041	1.6
250.09842	1.7
251.06860	1.6
251.18690	1.1
252.07817	4.8
253.08493	3.4
261.09265	1.2
264.07803	2.8
265.08560	10.1
266.09354	6.3
267.10071	3.0
277.08597	3.0
278.09137	1.1
280.07248	3.9
281.07968	3.0
283.09631	2.1
287.05560	1.3
293.11697	7.0
294.12210	1.5
295.09537	3.0
295.32089	1.1
296.10336	5.4
300.09943	2.5
309.11148	2.9
311.12732	8.3
313.10583	7.0
313.14270	5.7
321.11169	6.0
324.09946	1.6
325.10800	1.5
327.12216	2.8
331.15329	2.1
339.12225	56.8
340.09311	1.1
340.12802	6.1
341.13687	3.3
343.15308	3.4
359.14865	15.9
371.14844	100.0
372.15176	4.1
391.63199	1.1
425.30966	4.8
544.24945	1.7
654.28302	1.8
766.31897	15.6
767.32104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05510	1.6
56.08671	0.8
57.03432	1.5
61.02916	4.6
67.05495	2.5
67.39424	0.8
69.03431	2.7
69.07068	3.2
69.77602	2.2
69.77968	1.6
73.02911	2.7
79.05497	3.3
81.03417	3.9
81.07069	3.8
85.02895	5.2
87.04498	1.0
91.03968	2.4
91.05479	4.5
93.07059	2.8
95.04962	2.5
95.08608	2.1
97.02906	3.6
97.06532	1.3
105.03402	1.7
105.07034	2.0
107.08607	2.1
109.10140	1.2
119.08622	2.7
121.10183	1.6
123.08037	1.2
127.03933	2.2
129.98534	0.9
135.08093	0.9
137.09694	1.3
144.51419	0.9
147.08055	1.3
147.11584	1.0
157.89801	0.9
165.09099	1.6
194.47607	0.9
204.11066	1.0
211.13173	0.9
243.08517	3.2
298.16779	0.9
321.16794	1.1
441.17151	4.9
469.20633	3.2
529.13745	1.1
539.24731	4.1
541.22565	1.7
623.25665	1.3
767.38074	100.0
768.38617	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	767.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05508	1.4
57.03431	4.5
57.04069	0.7
57.57766	0.8
61.02924	5.5
62.16820	0.9
67.05496	2.6
69.03429	2.8
69.07068	2.0
69.72220	1.1
69.72565	2.3
73.02915	5.3
79.05483	2.7
81.03416	2.7
81.07051	5.0
83.04984	0.9
83.08605	2.2
85.02882	6.7
91.03934	4.2
91.05479	2.0
93.07032	3.0
94.06915	0.8
95.04989	2.1
95.08628	1.6
97.02867	5.8
98.22741	1.4
99.04449	1.5
99.08097	1.1
99.14531	0.7
101.02379	2.4
104.79827	0.7
105.03360	2.0
105.07033	1.6
107.04932	1.3
107.08591	2.2
108.79516	0.7
109.02889	1.6
109.06465	0.8
109.10196	1.5
111.04449	1.2
119.08599	1.7
121.10150	1.5
127.03949	1.7
129.05455	6.5
131.08572	1.6
133.10155	1.4
135.11743	1.1
145.04962	1.0
145.10138	0.9
149.09605	1.1
149.80511	0.7
163.11200	0.9
173.11711	0.9
185.04126	4.1
201.03763	1.3
237.10965	0.9
243.08389	4.7
259.07822	1.0
275.20078	1.3
291.19473	0.8
301.08920	5.7
313.08963	2.3
315.10483	5.8
319.82635	0.9
333.20413	8.0
355.13623	2.4
357.15121	14.7
369.15451	0.9
371.16537	1.0
373.11130	2.5
373.23425	2.3
383.25183	1.0
385.18326	2.3
389.23135	1.5
413.17834	1.8
415.15640	1.1
423.31775	0.8
425.18121	1.7
429.17358	3.5
439.15515	1.0
443.18942	1.7
445.25858	2.9
457.21207	0.9
461.25290	0.9
469.19717	0.9
487.30258	4.4
523.25220	2.3
533.30872	3.1
541.26172	3.4
551.28156	20.4
552.28174	1.0
555.27222	1.5
567.28180	1.8
568.28430	1.4
581.27728	1.1
595.27783	1.1
597.28668	5.9
609.28668	1.0
623.30273	25.4
624.31073	1.3
637.32117	1.1
639.30225	1.3
665.34985	7.1
666.35999	2.0
679.37140	0.9
681.30804	1.3
683.35815	1.8
721.37665	1.9
749.36938	3.6
767.37994	100.0
768.39386	7.8
774.86047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87778	0.6
67.05483	1.5
69.16778	4.1
73.02914	1.0
74.80951	0.6
79.05482	1.3
81.03394	0.9
81.07064	0.9
88.34383	0.6
91.03986	0.9
91.05491	1.0
93.07014	0.9
95.08591	1.0
96.44061	0.7
101.51822	0.7
103.32869	0.6
104.58695	0.6
105.07031	0.8
144.18640	0.7
263.89648	0.8
302.48068	0.7
507.23315	0.9
514.68762	0.8
766.43414	1.3
767.39575	100.0
768.40112	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	768.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
58.06583	0.9
69.03407	4.8
69.07085	0.7
69.10980	4.4
72.04500	0.8
77.03911	3.4
78.33710	0.7
79.05481	1.2
81.03352	0.7
81.07032	0.9
83.43463	0.6
84.84715	0.7
91.05480	2.0
95.04953	23.8
96.08121	1.0
98.23511	1.4
105.03378	100.0
105.04395	6.4
105.06946	1.6
106.03725	1.0
108.08096	0.8
110.06031	1.9
117.07006	1.2
119.04947	1.6
120.08102	0.8
124.07600	2.0
128.06230	0.7
129.07016	1.3
131.04890	1.8
131.08453	0.9
138.05508	0.9
138.70746	0.7
143.08582	1.0
144.08121	1.9
145.06499	1.7
146.09654	1.7
147.06761	0.8
147.07977	1.2
148.07556	1.3
155.08569	1.5
157.06442	1.0
157.08830	3.5
158.09616	1.1
160.07539	4.6
161.08353	0.8
162.09138	1.9
165.07047	1.0
166.07727	0.8
167.08653	0.8
172.07571	1.5
173.08354	2.6
174.09102	4.1
175.07491	1.1
178.07770	1.0
179.08588	1.5
181.10121	0.9
193.10106	2.5
195.08115	0.8
203.08517	1.8
204.09296	3.2
205.10197	1.6
207.11711	2.4
209.09619	0.9
212.10695	1.2
215.08614	1.4
216.09396	2.0
217.10124	2.0
218.10995	1.3
219.11682	4.0
221.09550	0.8
221.13231	1.5
222.12914	0.7
228.09889	1.0
231.11772	3.5
233.09732	1.0
233.13211	0.8
235.11337	1.4
237.12282	0.7
242.11615	0.8
245.09541	0.9
246.12700	1.7
247.11200	1.4
247.13567	1.2
249.12733	1.9
257.12146	0.9
259.11209	1.9
260.14627	0.8
262.12482	1.1
262.15897	2.9
272.14352	1.6
274.12292	2.6
276.14011	0.8
278.15378	1.4
280.17096	0.7
288.13937	2.6
289.14737	1.1
290.15335	8.5
291.15591	1.0
306.14828	1.9
308.16345	4.1
318.14911	2.9
336.15930	3.0
350.17566	0.9
378.16943	1.2
458.19968	0.9
472.20776	0.9
482.21698	1.0
500.20441	1.6
646.26306	3.0
768.29901	83.8
769.30011	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	768.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
55.05504	18.3
57.03429	13.7
57.07076	2.6
59.05004	3.6
61.02932	4.1
65.03931	3.1
67.05499	100.0
68.05833	2.6
69.03418	4.7
69.07062	6.8
69.46939	1.7
71.04986	5.4
73.02929	2.1
79.05485	19.0
81.03421	5.0
81.07044	27.2
83.04981	6.6
83.08609	7.1
85.02893	4.9
85.06515	3.3
91.05480	17.8
93.07034	14.2
95.04981	8.2
95.08609	11.3
97.02867	4.5
97.06509	2.9
97.10186	7.4
98.07362	1.9
98.23510	4.6
105.07023	9.5
107.04969	3.0
107.08601	10.3
109.06527	6.9
109.10146	78.4
109.10879	4.1
111.08057	5.5
113.57758	1.6
116.04680	3.4
117.07018	4.0
119.08556	14.5
121.06473	3.5
121.10143	3.6
121.93478	1.9
123.08065	3.1
125.09617	8.9
129.05438	12.2
129.06973	2.7
130.01962	1.5
131.08554	4.1
133.06477	2.1
133.10103	4.7
135.08072	1.9
135.11697	2.7
137.09631	4.8
143.07069	2.2
143.08575	2.6
145.10136	4.5
147.08040	3.9
149.09616	2.1
155.10660	5.0
157.08635	5.0
159.07936	2.9
159.11728	2.9
161.09570	4.4
163.11165	4.3
171.10123	2.2
173.09572	3.4
173.10197	3.0
173.11700	29.3
173.13087	2.9
199.13266	5.8
227.12813	2.5
229.14313	82.0
257.14069	2.2
261.18457	2.1
273.18442	4.3
283.15305	3.9
289.17963	4.4
325.15625	3.7
348.12366	1.8
353.23337	2.8
371.24219	6.7
383.19687	3.2
383.24173	22.0
396.64227	1.8
399.19269	4.3
417.20294	29.1
519.33362	4.4
535.20563	1.9
537.29541	4.7
549.29816	1.9
553.29163	5.4
557.34332	4.9
571.30133	25.7
768.42078	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	768.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.3
55.05505	15.9
57.03426	8.5
57.07054	1.3
59.04991	1.5
61.02909	2.0
65.03937	1.7
67.05496	22.3
69.03432	3.8
69.07062	5.5
70.06566	1.5
71.04986	3.3
73.02895	1.0
79.05480	28.2
81.03402	7.5
81.07043	43.0
83.01337	4.0
83.04974	7.9
83.08602	9.2
85.02897	4.3
85.06522	1.8
91.03922	1.0
91.05470	22.2
93.07027	21.0
93.07593	1.5
94.17649	1.0
95.04950	9.2
95.08598	8.4
97.02874	3.2
97.06506	3.1
97.10166	6.2
99.04480	2.3
102.84485	1.1
103.05411	1.4
105.07023	15.6
107.04939	11.1
107.08582	16.7
109.02865	8.4
109.06496	17.5
109.10110	6.3
111.04430	3.5
111.08074	2.5
113.05981	1.0
115.05450	2.7
117.06997	10.1
119.04964	1.6
119.08566	14.0
121.06490	4.4
121.10094	5.3
123.04407	2.3
123.08062	5.7
125.09619	3.7
128.06203	1.0
129.07007	2.6
131.08543	5.3
133.06468	2.0
133.10120	10.3
135.04407	1.1
135.08038	13.0
135.11705	8.1
137.09593	3.8
141.06903	1.3
143.08539	4.9
145.06473	3.6
145.10124	10.7
147.08035	3.9
147.11642	1.6
149.02368	1.8
149.09579	2.2
151.11180	1.5
153.09113	2.1
155.08495	1.1
157.10139	1.4
159.08018	5.0
159.11723	3.0
161.05962	1.0
161.09567	6.8
163.07532	5.6
163.11165	11.3
165.09056	2.3
169.10077	1.2
171.07924	1.1
171.11684	1.9
173.09657	4.1
173.11607	1.1
179.10657	7.5
181.12294	1.4
183.11682	2.0
187.11211	1.1
189.09117	2.8
189.11209	1.8
191.10663	1.1
193.04968	1.7
209.11653	2.4
227.12692	2.5
229.14317	2.8
233.18948	1.2
243.17403	5.8
261.18524	3.7
271.16891	3.7
281.17569	1.1
283.15363	45.2
284.15622	1.7
289.17935	25.0
291.19431	1.1
307.18948	2.1
320.34579	0.9
363.21576	36.9
364.22012	1.4
553.30951	1.6
571.32562	100.0
572.33026	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	769.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24744	0.4
57.03418	1.6
61.02928	1.1
69.03418	25.4
71.01377	0.4
71.04976	0.7
71.44291	0.5
73.02905	8.5
78.32365	0.4
79.63915	0.4
81.03407	2.0
83.04969	1.3
85.02888	16.6
87.04469	1.0
97.02878	84.5
98.03204	1.0
99.04452	1.4
109.02864	8.3
111.04453	0.8
115.03913	53.1
121.02858	1.8
127.03905	6.3
129.05452	1.1
137.02338	0.8
139.03856	0.6
139.28009	0.5
141.95221	0.4
145.02841	1.2
145.04932	2.7
147.04430	1.0
153.01804	1.8
157.04939	100.0
158.05290	1.3
165.01846	0.8
169.05011	1.1
173.13254	0.8
175.05997	25.9
177.05452	2.5
187.05986	2.5
205.07060	5.6
213.05446	1.0
241.04845	0.5
258.05219	0.7
287.05453	67.9
288.05786	2.2
303.05008	2.3
311.05222	0.5
327.88205	0.5
329.06558	0.6
337.53830	0.5
433.11230	4.0
461.10883	0.9
505.33286	0.5
588.26129	0.5
619.45685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05496	0.3
57.03416	0.4
59.04972	0.1
61.02913	0.4
65.96627	0.1
68.99799	0.4
69.03419	11.0
70.03719	0.1
71.04995	0.7
71.16666	0.1
71.17007	0.2
73.02903	0.5
75.04430	0.1
81.03373	0.3
83.04977	1.1
85.02895	5.2
87.04463	0.2
91.03949	0.1
91.05422	0.2
93.54871	0.1
97.02881	11.3
99.04451	0.2
105.03384	0.8
106.03709	0.3
107.04931	0.3
109.02863	0.8
111.00774	0.4
111.04416	1.1
115.03915	10.5
115.77119	0.1
119.04973	0.2
121.02850	2.3
127.03885	1.1
129.05460	1.6
130.44957	0.1
133.02885	0.4
135.04457	0.3
137.02304	0.6
139.03822	0.2
143.91620	0.1
145.04932	0.7
147.04396	0.6
147.06528	0.4
153.01807	2.8
157.04958	0.3
157.06458	0.2
165.01794	1.3
175.06009	0.6
177.05499	0.2
183.02853	0.5
185.05917	0.4
189.05489	0.2
193.26453	0.1
205.07025	0.7
213.05438	1.1
231.06523	0.6
241.04953	0.7
258.05197	0.8
259.05887	0.3
286.04657	0.1
287.05453	100.0
288.05771	3.4
299.05426	0.4
329.06369	0.2
383.07635	0.2
425.07791	0.2
433.05557	0.3
433.11264	5.0
434.11264	0.2
461.10599	0.3
478.38080	0.1
557.03534	0.2
595.16132	0.3
765.63696	0.2
768.33032	0.6
769.32977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.2
57.03428	2.6
58.06587	0.2
59.04976	0.2
61.02920	2.0
68.99794	0.4
69.03419	8.5
69.18078	0.7
69.18485	0.3
70.06588	0.2
71.01339	1.0
71.04977	0.6
73.02913	0.7
81.03405	0.7
81.17624	0.2
83.01337	0.2
83.04970	1.7
85.02892	6.9
85.03408	0.4
87.04460	1.4
95.04941	0.3
97.02877	10.7
98.22716	0.4
99.04423	0.4
105.03352	0.2
107.04934	0.3
109.02856	3.1
111.00778	0.4
111.04416	1.2
115.03912	23.1
116.04221	0.2
121.02840	2.4
126.78994	0.2
127.03905	2.5
129.05457	1.6
133.02844	0.4
135.04465	0.2
137.02325	0.8
145.02785	0.3
145.04892	1.2
147.04391	0.6
147.06445	0.2
153.01804	2.8
157.04961	0.7
157.06378	0.4
161.48973	0.2
165.01819	1.5
169.04956	0.3
175.05991	11.0
176.01424	0.2
177.05467	0.3
183.02840	0.6
185.05968	0.4
187.05974	0.7
203.03372	0.2
205.07050	0.9
207.06560	0.4
213.05434	1.2
231.06555	0.4
241.04938	0.7
248.53922	0.2
255.08813	0.2
258.05212	0.7
259.06012	0.5
270.05133	0.2
287.05438	100.0
288.05774	3.6
299.05341	0.5
303.04874	1.9
310.18826	0.2
329.06409	0.4
365.06287	0.4
383.07532	0.4
433.05508	0.4
433.11188	4.7
445.92715	0.2
461.10574	0.5
595.17157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
56.05017	1.3
57.71369	0.5
58.06625	0.6
60.47655	0.5
65.78970	0.6
67.05493	0.8
69.75581	2.1
70.06577	1.0
72.04498	0.9
74.06061	2.7
77.03919	2.6
79.05482	1.5
81.03405	0.8
81.07045	0.8
85.02907	0.7
86.06055	2.7
87.04465	1.7
88.07621	1.4
91.05457	1.9
93.07049	0.8
94.06568	1.5
95.04955	18.8
96.08128	0.6
105.03377	85.7
105.04404	6.5
105.07015	2.2
106.03720	1.1
108.08115	2.0
117.07004	0.8
119.08556	0.9
121.06568	0.7
129.06985	0.8
132.08069	1.3
136.07608	1.1
138.09111	0.9
144.08090	1.2
145.08904	0.9
146.09637	1.2
148.07574	0.8
149.05965	4.5
152.58566	0.8
155.08502	1.2
157.08864	1.7
158.09602	7.6
162.09082	1.8
165.07024	1.0
167.08601	0.8
174.09155	1.9
179.08528	1.6
184.11197	1.0
188.10706	0.6
191.08478	1.2
192.09354	2.1
193.10133	2.0
196.11224	0.9
202.07663	0.7
203.08519	1.5
204.09352	1.9
205.10107	1.2
207.11722	1.4
208.11157	1.2
209.11705	0.7
210.12779	0.9
215.08591	0.8
216.09946	1.0
217.10092	1.5
218.11092	1.5
219.11737	3.1
221.13304	0.9
224.10498	0.9
228.09346	0.7
229.10016	1.1
231.11813	0.8
232.11403	0.6
233.13213	2.1
234.12627	1.0
243.08371	0.6
243.11794	1.7
244.11189	1.3
246.12750	1.0
247.10966	0.7
247.79121	0.6
248.14313	0.9
249.12784	1.0
258.13077	2.4
259.13574	1.0
260.14331	1.4
261.12698	0.7
266.87036	0.6
270.12918	1.1
271.08081	0.7
272.14310	0.9
274.15881	4.1
276.13809	1.6
276.17096	0.7
278.15439	2.2
284.14255	0.8
285.13779	0.9
288.13626	0.8
290.15366	1.8
292.16867	3.1
295.14496	0.6
302.15421	3.4
304.17017	1.8
306.14932	1.1
314.15292	1.4
315.15146	0.8
315.18613	1.5
320.16513	2.3
332.16406	0.9
334.17825	1.3
335.21149	0.9
345.19586	3.6
350.17413	0.8
363.20715	4.6
380.18439	1.5
394.19507	0.7
396.19968	0.8
405.21582	1.7
423.22803	0.7
424.20724	1.0
440.20868	0.7
465.23843	1.0
467.23010	0.7
514.06464	0.8
525.25641	1.0
527.25421	1.1
545.26434	0.9
546.24933	1.7
587.27100	3.3
588.25854	8.5
589.26251	0.8
647.29468	2.6
650.27203	3.2
709.30341	1.9
710.29382	6.8
726.29211	0.9
769.32892	100.0
770.33215	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	770.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.4
58.06594	0.5
72.04499	0.6
74.06061	0.4
76.48305	0.4
77.03916	5.2
78.67668	0.4
79.05473	0.6
81.03404	0.5
82.06572	0.4
86.06048	0.4
89.71191	0.3
91.05473	1.4
93.06995	0.4
94.06550	0.8
95.04955	21.9
96.08132	1.0
98.22632	0.8
102.26728	0.4
103.05403	0.4
105.03377	100.0
105.04405	9.7
105.06994	2.8
106.03696	1.7
108.08110	1.0
110.06025	1.5
115.05411	0.7
117.06998	1.5
118.06502	0.8
119.04938	1.3
119.08589	0.4
120.08084	0.7
121.06487	0.6
122.06068	0.4
124.07587	1.5
128.06203	0.8
129.06982	1.0
131.04915	0.4
131.07304	0.4
131.08542	0.7
132.08081	0.8
133.06430	0.8
134.09615	0.7
138.05499	0.9
141.06975	0.5
142.07748	0.4
143.04799	0.4
143.08546	1.1
144.08075	1.4
145.06491	1.9
145.08809	0.6
146.09631	1.3
147.06845	0.5
147.08015	0.7
148.07539	1.5
149.36659	0.3
150.09109	0.4
155.08569	1.0
157.08865	3.4
158.09563	1.2
159.08072	0.5
160.07558	5.0
161.08279	0.6
162.09154	1.3
165.06969	0.8
167.08536	1.2
169.10173	0.4
170.09631	0.5
171.08037	0.5
172.07581	0.9
172.11145	0.3
173.08334	3.0
174.09143	4.2
175.07536	1.2
175.09869	0.4
176.07147	0.6
178.07736	1.0
179.08551	1.4
180.09283	0.3
181.10088	0.9
182.09625	0.7
186.09116	1.0
188.10576	0.6
190.12137	0.4
191.08586	1.3
192.09198	2.1
193.10074	1.7
195.08069	0.6
195.11708	0.5
196.11263	0.4
198.09111	1.1
198.83437	0.3
199.09872	0.5
200.10654	0.5
202.07654	0.5
203.08456	1.6
204.09309	2.7
205.10164	2.1
206.10933	1.6
207.11729	2.0
208.08861	0.4
209.09543	0.5
211.09801	0.7
212.08611	0.3
212.10713	1.2
212.14374	0.4
215.08574	1.4
216.09270	2.5
217.10144	1.6
218.11028	1.1
219.08086	0.6
219.11702	3.4
220.08795	0.3
220.11174	0.5
221.09682	0.6
221.13232	1.5
223.11305	0.4
224.10739	0.7
226.12154	0.5
228.10138	1.0
229.10118	0.7
231.08154	0.4
231.11754	3.2
232.08974	0.8
233.09610	0.9
233.13348	0.7
234.12738	0.6
235.11168	1.1
236.10718	0.4
237.12819	0.8
238.12427	0.5
244.08968	0.4
244.13284	0.6
245.09683	0.7
246.10576	0.4
246.12688	1.7
247.11162	1.3
247.13571	1.0
248.10593	0.8
248.14282	0.6
249.12831	1.6
250.12514	0.5
256.11230	0.5
257.11942	0.7
259.11148	1.5
260.10593	0.6
260.14359	1.1
261.12543	0.4
261.15121	0.6
262.12317	0.6
262.15900	2.0
264.13904	0.9
265.12210	0.6
266.11932	0.4
272.14297	1.4
274.12158	1.9
275.13058	1.3
277.12256	0.6
278.15378	1.2
280.16904	0.6
288.13779	2.0
289.14597	1.1
290.12198	0.3
290.15329	8.8
291.15771	0.6
292.13541	0.4
292.16788	0.4
300.13702	0.5
306.14932	1.5
308.16431	3.0
314.23822	0.4
318.14832	2.8
336.15845	2.7
338.42184	0.4
348.15836	0.6
350.17453	0.5
354.17044	1.4
378.16916	0.8
396.17871	0.7
412.19061	0.6
424.21021	0.6
470.19534	0.4
472.21136	0.8
484.23529	0.9
500.20685	1.5
546.25067	0.6
560.22943	0.4
622.24261	1.1
648.27966	3.6
710.29071	0.5
770.31519	85.9
771.31775	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	770.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
66.63107	0.3
67.03675	0.3
69.96143	0.5
69.99611	0.2
70.06552	0.2
72.04507	0.5
77.03915	4.3
79.05482	0.8
81.03427	0.6
81.07050	0.3
82.06535	0.4
84.04485	0.3
84.08132	0.3
86.06048	0.4
87.73238	0.3
91.05464	1.7
93.07024	0.5
94.06552	0.6
95.04955	21.4
96.08125	0.5
98.06069	0.3
103.05447	0.3
105.03378	100.0
105.04400	7.4
105.06977	2.2
106.03706	1.9
107.05012	0.3
108.08090	0.8
110.06013	1.8
115.05441	0.8
117.07027	0.7
118.06534	0.3
119.04903	1.2
119.08584	0.6
120.08063	0.8
121.06467	0.3
122.05981	0.6
124.07609	1.6
126.05540	0.2
128.06236	0.7
129.06984	1.3
131.04875	0.3
131.07315	0.5
131.08543	0.9
132.08083	0.5
133.06490	0.5
133.08847	0.3
134.09599	0.3
136.07556	0.8
138.05472	0.7
141.06979	0.4
142.07755	0.4
143.08572	1.0
144.08026	1.4
145.06456	1.7
145.08820	0.6
146.09625	1.5
147.06889	0.4
147.08064	0.6
148.07568	1.8
148.08673	0.4
150.09134	0.4
153.07072	0.5
155.08542	1.1
157.08839	3.8
158.07321	0.5
158.09636	1.2
160.07541	4.7
161.08334	0.6
162.05560	0.3
162.09105	1.0
165.06996	0.9
166.07587	0.4
167.08525	1.0
172.07573	0.7
172.11206	0.5
173.08304	2.5
173.09564	0.3
174.09126	3.2
175.07533	1.1
175.09822	0.7
178.07793	1.2
179.08464	1.3
180.09380	0.5
181.10143	0.9
182.09599	0.3
184.11281	0.3
185.08366	0.5
188.10669	0.4
191.08521	0.9
192.09213	1.6
193.10117	2.3
195.08035	0.6
195.11703	0.7
196.11182	0.5
198.09071	1.2
199.09932	0.3
200.10692	0.9
202.07758	0.4
203.08508	1.9
204.09338	2.1
205.10248	1.6
206.10912	1.0
207.08080	0.4
207.11678	1.7
208.08821	0.3
208.11081	0.3
209.09741	0.3
209.13348	0.3
211.09840	0.8
212.10779	0.7
212.14262	0.7
215.08543	1.3
216.09280	2.9
217.10120	1.3
218.10925	1.1
219.08247	0.5
219.11696	3.5
220.08934	0.4
221.09764	0.4
221.13330	1.5
223.11374	0.5
224.10704	0.8
228.10144	1.1
229.10210	1.1
230.10878	0.5
231.08131	0.5
231.11690	2.4
232.08942	0.5
232.11259	0.8
233.09615	0.8
233.13322	0.4
235.11339	1.4
236.10603	0.6
237.12816	0.3
238.12239	0.6
243.08052	0.3
244.08923	0.6
244.13393	0.5
245.09584	0.7
245.11989	0.6
246.12775	1.4
247.11168	1.3
247.13605	0.8
248.10614	0.6
249.12865	1.7
250.12335	0.6
257.11996	0.5
259.11154	1.7
260.10641	0.6
260.14438	1.0
261.12607	0.3
261.15088	0.7
262.12085	0.6
262.15997	2.0
264.13925	0.7
266.11740	0.4
272.14297	1.5
273.14810	0.4
274.12170	2.1
275.12982	1.4
276.13724	0.8
277.12091	0.6
278.15451	1.2
280.16937	0.8
286.12140	0.3
288.13760	2.2
289.14594	1.0
290.15344	8.6
291.16010	0.5
292.16833	0.3
300.13699	0.6
306.14862	1.9
307.15524	0.3
308.16364	3.2
318.14862	2.5
322.17984	0.3
326.17621	0.6
336.15814	2.8
348.15900	0.6
350.17715	0.8
354.17053	0.8
378.16989	0.7
396.17761	0.6
412.19125	0.4
458.19510	0.5
472.21414	0.8
484.23016	1.0
500.20749	1.0
520.08423	0.3
546.24878	0.4
560.22546	0.3
622.24268	0.8
648.28027	3.0
710.29443	0.3
770.31531	85.9
771.31982	10.1
780.06622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	8.3
55.05498	20.0
57.03421	5.3
67.05500	21.9
69.03402	3.8
69.07037	6.3
69.11959	15.2
71.04964	2.3
77.03908	4.3
79.05479	31.3
81.03398	11.0
81.07042	62.8
83.04960	8.5
83.08616	11.8
85.02861	4.8
91.05462	22.2
93.07019	16.8
95.04948	36.7
95.08579	8.7
97.06538	4.4
97.10157	9.6
98.24971	2.3
99.04443	3.5
105.03376	100.0
105.04505	8.6
105.07008	15.2
106.03681	3.9
107.04928	9.6
107.08572	16.5
109.06488	24.8
109.10140	6.1
111.04434	7.4
111.08072	3.2
117.06980	10.6
119.08552	16.2
121.06470	7.1
121.10118	7.5
123.08027	4.4
125.09599	13.3
129.06947	5.5
131.08572	9.4
133.10083	7.4
135.08003	3.0
135.11650	3.5
137.09570	2.6
143.08499	3.6
145.06482	3.7
145.10074	12.8
147.08022	6.6
149.09599	5.9
157.10045	3.1
159.08080	3.8
159.11656	4.3
160.07591	4.5
161.09608	3.1
163.11150	10.6
173.09644	4.8
175.11101	2.4
179.08609	2.7
181.12065	2.6
189.11174	8.5
193.10052	3.5
204.09305	3.9
216.09288	4.9
217.09938	2.4
221.13423	3.1
224.10699	2.4
227.12738	13.4
245.13814	7.2
259.11057	2.7
262.15771	2.4
267.15881	2.9
271.16968	2.6
273.18420	15.1
283.15335	18.9
285.17130	3.8
289.17871	3.7
290.15298	8.9
291.19507	40.6
308.16315	3.7
318.14783	3.7
335.67993	2.9
347.22012	4.7
363.21701	2.9
365.23303	11.6
409.61954	2.5
549.60669	2.6
555.33313	13.1
573.34174	40.5
574.34625	3.9
770.31274	62.9
770.43982	4.9
771.31610	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	770.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.0
55.05256	2.1
55.05507	34.9
57.03427	11.0
57.31192	1.9
59.04998	2.8
61.02924	2.0
65.03938	3.2
67.05156	3.2
67.05499	36.5
69.03432	10.8
69.07060	26.9
71.04985	4.1
71.43279	1.8
79.05479	40.0
81.03406	15.9
81.07047	37.4
83.01325	6.5
83.04967	13.2
83.08613	17.5
85.02888	7.8
91.05476	29.8
93.07035	40.3
95.04966	16.7
95.08582	15.8
95.14960	1.8
97.02886	11.9
97.06504	7.0
97.10153	12.8
102.43887	1.8
105.03394	9.9
105.04485	2.1
105.07014	22.8
107.04928	12.3
107.08585	22.7
109.06518	12.8
109.10126	12.7
111.04426	3.4
111.08025	2.3
117.07014	14.8
119.04871	2.7
119.08564	20.5
121.06468	6.2
121.10103	11.3
123.08059	11.4
125.05910	2.4
125.09624	9.3
129.06982	3.9
130.07753	3.2
131.08563	10.0
133.06461	4.9
133.10149	9.1
134.07239	1.7
135.08041	7.2
135.11655	12.2
137.09526	3.6
143.08557	4.0
145.06313	2.3
145.10107	17.6
147.08022	7.2
147.11649	6.0
149.09663	3.4
155.08574	3.4
157.10100	1.8
159.11667	4.6
161.09587	4.8
163.11169	18.9
173.09535	2.8
175.11224	3.1
187.11047	1.9
189.11174	3.5
193.12230	2.2
195.13675	2.5
207.52730	1.8
209.11679	6.6
223.13249	17.8
227.12747	8.5
245.18956	2.3
249.14949	3.5
253.14287	3.8
273.18427	12.9
275.20035	6.0
281.17365	6.5
283.15344	91.2
284.15720	2.8
291.19510	100.0
292.19757	5.3
347.22122	4.0
365.23190	50.4
479.26154	2.6
493.27612	3.7
555.33313	2.3
559.35944	2.4
573.34167	92.2
574.34137	7.1
641.58301	2.1
693.22693	2.1
770.32068	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	770.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	10.3
55.05506	24.4
57.03419	12.9
61.02921	3.6
65.03945	4.4
67.05502	36.7
69.03403	9.0
69.07053	10.9
69.71902	9.4
71.04986	8.2
77.03910	5.1
79.05486	47.2
81.03408	46.9
81.07045	66.5
83.04958	12.9
83.08603	21.5
85.02899	20.5
91.05475	48.1
93.07026	31.3
95.04956	48.7
95.08583	14.6
97.02885	8.4
97.06512	7.9
97.10146	8.9
98.23434	3.3
100.72213	3.4
105.03387	86.2
105.04527	9.5
105.07034	32.8
107.04927	16.9
107.08570	17.8
109.02859	9.7
109.06525	29.1
109.10165	7.6
111.04391	3.4
111.08096	7.6
111.56332	3.3
115.05457	3.3
117.06986	15.2
119.08565	28.2
121.06483	9.6
121.10122	10.2
123.04408	3.6
123.08049	5.8
125.09615	5.3
128.06219	4.0
129.06969	11.0
131.08539	17.4
133.06483	5.7
133.10124	19.3
135.08017	16.8
135.11758	2.9
137.09619	8.4
141.06894	4.9
142.07733	4.0
143.08566	11.8
145.06456	5.1
145.10124	11.0
147.08051	5.8
147.11638	9.7
149.09593	10.9
153.06946	3.1
157.08865	5.9
157.10120	9.7
159.08051	9.7
161.09579	9.5
163.11182	5.2
165.09120	4.6
169.10060	3.9
173.09651	3.2
175.11163	12.3
179.10649	8.2
189.09079	5.3
189.11328	3.8
193.10588	4.2
193.12210	25.8
201.72688	2.9
211.13246	41.7
227.12784	4.4
243.17415	7.1
246.12752	3.3
261.18478	9.0
265.42767	2.9
267.15869	24.5
271.16855	9.2
273.18362	3.1
285.16925	33.7
289.17920	34.7
290.15305	9.0
302.87653	2.8
307.18848	3.8
336.15918	3.4
363.21597	48.4
537.31720	3.1
555.33057	53.1
573.34192	100.0
574.34100	4.6
688.38727	3.4
770.18280	4.7
770.31189	56.6
770.43787	4.9
771.31641	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	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
55.05256	2.1
55.05507	29.7
57.03432	9.4
57.07053	1.9
65.03916	2.1
67.05499	56.4
69.03419	2.8
69.07066	22.3
69.08739	12.1
71.04990	3.2
76.17542	1.6
77.03944	1.7
79.05482	70.3
81.03421	10.3
81.07046	94.6
82.07365	2.9
83.04968	12.0
83.08241	1.6
83.08616	17.0
84.27125	1.5
85.02914	2.6
85.06539	3.7
91.04932	3.6
91.05470	53.8
92.70369	1.7
93.07030	60.4
95.04960	27.8
95.08598	36.9
97.02870	1.9
97.06527	7.8
97.10150	4.3
105.03368	4.0
105.04496	3.2
105.07017	49.8
107.04963	14.5
107.08582	23.1
109.06501	27.1
109.10113	9.0
111.08084	7.0
113.05952	1.7
117.07020	16.9
119.08571	36.8
121.06495	6.2
121.10140	17.5
123.08047	10.7
123.11700	4.8
125.09605	2.2
129.06987	13.5
131.08553	13.2
133.06482	2.2
133.10120	24.5
135.08029	4.3
135.11682	6.7
137.09633	4.0
143.08560	8.7
145.06448	1.7
145.10104	21.0
147.11674	35.9
149.09587	6.9
149.13248	6.0
155.08548	2.1
157.10118	5.5
159.11685	7.8
161.09625	4.9
161.13274	11.3
163.11186	8.3
165.12737	6.8
169.10098	2.2
171.11667	17.6
172.67189	1.7
173.09695	2.4
173.13222	4.0
175.11185	3.4
189.12701	6.5
207.13762	13.1
247.20496	2.8
257.19000	3.9
259.20502	2.2
267.15906	3.2
275.17029	2.8
275.20020	55.6
276.20279	2.2
281.17429	72.6
282.17816	1.8
293.21024	6.6
299.14954	2.6
330.18942	1.9
333.24039	2.1
349.23672	26.7
367.24750	18.6
368.24808	2.1
467.90030	2.0
475.38812	2.0
537.35608	2.8
555.36737	100.0
556.36920	7.7
573.37933	62.8
574.37653	6.6
770.32269	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	17.4
55.05501	66.1
57.03426	13.4
59.05011	3.5
60.00542	3.1
60.05644	2.9
65.03938	6.3
67.05154	6.8
67.05496	94.7
69.03416	8.4
69.07057	28.1
71.04990	9.6
73.06524	3.8
75.36533	2.9
79.05482	98.4
81.03416	22.2
81.07047	90.4
83.04977	25.3
83.08598	33.1
85.02898	8.6
85.06541	4.6
91.05470	100.0
93.07034	96.4
94.07380	3.8
95.04958	81.2
95.08591	50.3
97.02880	6.5
97.06517	9.6
97.10149	12.8
99.04460	5.9
99.08091	3.8
105.03391	19.4
105.04504	11.0
105.07022	70.0
107.04926	20.2
107.08579	49.8
109.06522	15.0
109.10160	25.0
111.04434	11.8
111.08065	5.8
115.05458	4.9
117.06989	24.3
119.08559	45.3
121.06499	12.1
121.10149	17.5
123.04406	3.8
123.08057	17.7
125.09646	9.8
129.06966	18.1
131.08551	18.8
131.59036	3.6
133.06435	5.3
133.10124	40.3
135.08023	14.4
135.11685	15.9
137.09572	6.3
143.08556	16.4
145.06468	6.6
145.10121	31.2
147.07996	16.4
147.11679	29.9
149.09610	20.6
151.11156	8.4
155.08546	3.4
157.10141	4.6
159.11688	10.5
161.09622	9.6
161.13176	8.4
163.11162	37.9
169.10049	6.8
169.15036	3.5
171.11719	18.8
173.09549	4.3
173.13290	3.5
175.11102	4.0
177.12752	4.0
179.10748	5.1
189.11177	6.6
189.12764	8.1
193.12219	5.9
205.12183	3.8
207.13792	21.5
209.11588	4.1
223.13190	28.5
227.12738	11.7
253.14317	21.6
257.19055	3.9
267.15869	3.3
273.18509	11.2
275.20023	50.7
281.17465	95.9
283.15372	40.7
285.16791	3.8
289.17963	7.6
291.19467	14.9
293.21082	21.7
347.22281	6.5
349.23743	25.3
365.23099	25.0
367.24689	21.2
479.26587	15.7
555.29865	4.1
555.36957	60.4
556.36560	7.0
573.36511	73.6
574.36975	5.3
734.47455	4.3
770.31311	14.3
771.30951	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	770.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.6
55.05501	32.5
57.03434	11.3
65.03932	5.1
65.38432	3.1
67.05495	80.0
69.03421	6.0
69.07065	27.9
71.60557	3.6
72.08161	6.4
79.05482	97.8
81.03408	17.4
81.07049	87.1
83.04970	20.4
83.08617	13.8
85.06532	8.1
86.09695	56.6
91.05471	80.8
93.07034	100.0
93.07592	6.3
95.04959	34.5
95.08603	48.2
97.06527	12.7
97.10181	5.0
99.08129	3.4
105.03381	13.6
105.04498	4.4
105.07023	58.3
107.04976	19.3
107.08582	37.6
109.06513	11.6
109.10159	15.4
111.08075	4.4
113.03779	3.0
117.07037	19.2
119.08589	40.9
120.08088	33.8
121.06522	7.8
121.10107	16.6
123.08047	10.1
123.11739	3.4
128.06226	3.4
129.06999	18.3
131.08528	18.2
133.10107	22.2
135.08067	4.7
135.11685	20.1
140.14316	4.7
143.08557	10.1
145.10133	27.2
147.08025	5.2
147.11670	32.1
149.09605	10.3
149.13243	5.8
154.15903	11.3
155.76114	3.6
157.13359	6.8
159.11693	12.5
161.09621	8.5
161.13287	8.9
163.11179	12.1
169.10127	6.1
169.24699	3.9
171.11665	19.0
185.12820	8.4
185.16470	4.2
189.12746	8.1
195.13777	5.4
199.18002	4.5
207.13841	23.2
213.16066	4.8
227.12775	12.9
227.17609	6.0
229.14493	3.9
239.17815	6.7
247.14204	3.7
253.14383	6.4
253.19164	7.0
255.15889	5.4
257.18866	5.6
261.15857	8.1
269.17401	8.1
273.18573	4.4
275.20129	39.7
281.17484	68.8
283.15298	8.2
298.21286	7.4
299.14777	3.7
318.17853	4.2
349.23804	18.9
360.22626	3.7
367.24466	4.7
461.28906	28.2
473.03149	4.1
475.30478	96.8
476.30756	7.8
515.33325	6.6
555.36755	43.7
556.37549	4.3
566.52600	3.9
573.34601	11.2
631.51599	3.8
657.42999	8.2
671.45514	4.9
770.31604	8.5
770.51324	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	771.503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05506	12.4
57.03428	4.2
57.07063	1.6
59.66299	0.6
61.02921	14.3
65.03930	2.2
67.05499	23.4
69.03426	8.1
69.07061	10.2
69.08013	4.9
71.01337	0.9
71.04982	1.5
73.02906	6.9
73.08383	0.7
79.05484	15.3
81.03419	4.8
81.07047	22.0
83.04987	2.2
83.08607	5.3
85.02895	13.4
87.04446	1.2
91.03940	6.2
91.05471	13.2
93.07035	17.0
95.04958	3.9
95.08594	18.2
96.58224	0.7
96.76817	0.7
97.02883	11.4
97.06514	2.2
97.10155	2.9
99.04450	1.5
101.02392	2.1
105.04565	0.7
105.07023	12.7
107.04974	0.9
107.08585	10.9
109.02866	0.9
109.06513	2.2
109.10130	7.3
111.04440	2.2
111.08072	1.1
115.05460	1.8
117.06991	8.1
119.08579	11.7
121.06514	0.8
121.10130	5.5
123.08080	2.0
123.11725	3.0
125.09654	1.0
127.03951	2.6
128.06236	2.0
129.06989	7.4
130.07762	1.1
131.08548	12.7
131.09431	0.9
133.10107	8.9
135.08055	1.4
135.11684	3.8
141.06985	4.7
142.07782	2.4
143.08549	11.9
145.04913	0.9
145.06468	1.1
145.10112	11.7
147.11687	4.0
149.09628	0.8
149.13304	2.0
151.07483	1.0
153.07016	1.1
155.08528	9.0
156.09357	1.8
157.10095	11.5
157.11226	1.1
159.11703	7.8
161.13232	2.8
163.11261	1.1
163.14809	1.1
165.06970	1.0
166.07870	1.0
167.08563	5.1
169.10101	9.9
171.11673	8.9
172.12448	0.9
173.13237	5.1
175.14870	1.8
179.08603	1.4
180.09357	0.9
181.10075	6.0
182.10951	1.5
183.11659	9.3
184.12337	1.1
185.13245	6.3
187.14830	3.0
189.16374	0.9
191.08501	0.9
192.09363	0.8
193.10184	2.6
194.10779	0.8
195.11621	6.0
196.12462	0.9
197.13251	7.8
199.14725	3.9
201.16350	1.3
205.10274	1.3
207.11726	2.5
209.13217	6.2
210.13908	1.0
211.14789	5.2
213.16417	2.8
215.18018	1.0
219.11734	1.0
221.13263	3.3
223.14850	4.1
225.16406	3.4
227.17937	2.6
235.14859	1.5
237.16373	2.1
239.17960	2.5
251.17940	1.7
253.19641	1.5
261.16241	0.9
263.17813	1.1
265.19571	1.3
269.19125	0.9
279.20853	0.7
283.20529	0.8
297.21762	0.9
309.22104	1.8
315.17795	1.5
323.23715	1.4
335.25998	1.5
337.25290	1.8
351.26715	1.7
353.24615	1.0
353.28546	0.9
363.26968	1.1
365.28506	1.5
377.28009	0.8
381.27689	1.0
447.32455	1.4
487.34763	0.9
501.35489	1.3
515.37823	1.4
517.40302	5.2
525.36334	1.6
527.37354	1.3
535.41479	3.1
539.37207	1.9
541.38916	1.2
543.36053	1.1
553.40253	0.9
562.63525	0.9
567.40045	1.2
575.39282	1.1
591.44073	6.6
607.43121	1.3
609.45062	100.0
610.45135	6.8
621.45526	1.7
633.45551	1.2
651.46021	1.2
735.48187	1.2
753.49268	2.2
754.49487	1.0
771.50592	21.2
772.50598	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44366	0.3
71.12804	0.3
80.91471	0.3
91.05488	0.4
97.02784	0.4
98.23491	0.6
121.02840	0.4
145.02814	0.5
177.05418	1.2
191.08511	1.4
207.08034	1.0
208.08733	1.0
218.07274	0.5
219.07980	1.6
220.08791	3.4
221.09570	1.0
222.06812	0.4
223.11131	2.5
224.08307	0.7
228.93689	0.3
233.09645	1.8
234.06766	0.4
235.07524	2.1
236.08267	6.8
236.46919	0.3
237.09125	1.7
239.10637	1.4
247.07533	0.7
248.08263	0.5
249.09122	1.5
250.09775	1.4
251.10635	12.3
252.07878	0.7
261.09009	0.3
262.09869	0.9
263.06921	0.7
263.10577	1.5
264.07822	0.9
264.11279	0.4
265.08527	0.8
267.10114	4.1
277.08530	1.5
278.09375	0.6
279.10126	29.2
280.07556	0.6
280.10522	1.2
281.08127	0.7
281.11292	0.6
282.12524	0.4
287.05365	1.0
293.11789	0.6
294.12457	81.4
295.09653	28.1
295.12811	4.2
295.52020	0.3
296.10052	2.0
310.11948	40.9
311.12210	2.0
319.09482	0.4
325.14294	100.0
326.14587	3.4
342.16953	31.8
343.17239	1.4
345.18542	0.4
698.01019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	15.0
55.05501	33.5
57.03434	16.6
57.07053	2.4
59.04974	4.1
61.02916	3.2
61.09003	1.9
65.03922	5.1
65.97767	2.2
67.05153	3.9
67.05495	56.2
68.56549	1.8
69.03411	6.9
69.07058	22.3
69.21165	10.9
70.43571	1.8
71.01340	2.1
71.04977	9.1
72.04125	1.8
77.03901	2.8
79.05480	57.2
80.56428	2.0
81.03403	26.4
81.07043	100.0
82.07391	2.4
83.01322	5.5
83.04958	20.3
83.08607	26.4
85.02887	11.3
85.06535	4.4
91.03943	2.2
91.05466	50.8
93.07031	57.8
93.09221	1.9
95.04950	22.8
95.08591	33.5
96.04466	2.0
96.08136	2.0
97.02885	6.3
97.06528	13.5
97.10150	6.2
99.04477	4.1
99.08061	5.9
102.04095	1.9
105.03405	3.0
105.04520	2.7
105.07014	36.9
107.04945	18.3
107.08576	38.1
108.08974	2.7
109.02853	3.4
109.06508	25.2
109.10127	12.5
111.04436	3.6
111.08058	4.7
113.05995	3.4
115.05392	3.6
117.07003	21.3
119.08562	30.2
121.06467	7.2
121.10130	20.1
123.08015	11.3
123.11678	4.7
125.05945	4.2
125.09627	6.8
127.03880	3.7
129.06972	5.6
130.07765	3.6
131.08548	17.9
133.06474	4.1
133.10104	24.0
135.08029	7.4
135.11671	27.6
137.09633	6.3
143.08574	3.4
145.06494	4.1
145.10117	26.8
147.08035	2.8
147.11722	10.0
149.09607	9.2
149.13252	10.1
151.11145	5.8
153.12672	3.1
154.07634	2.1
155.08574	4.3
157.10092	4.4
159.11673	7.4
161.09705	3.4
161.13336	4.3
163.11150	35.1
165.88145	2.3
173.09578	5.3
173.13289	3.9
175.11208	4.0
178.02870	2.2
181.12175	4.2
186.39536	2.0
191.10585	2.3
193.12231	5.2
195.13799	6.0
197.13165	2.2
209.11714	7.2
211.13257	4.7
216.59241	2.4
227.12663	12.0
239.17918	3.4
253.14169	2.8
255.15912	7.8
257.19019	4.1
265.14355	2.6
267.16013	3.5
269.17389	22.1
273.18369	3.5
275.20038	31.4
283.15350	97.6
284.15732	4.1
285.16885	5.7
291.19415	5.4
293.21063	8.2
309.20438	2.4
310.55551	2.1
313.21576	2.9
349.23706	19.7
350.23883	2.3
365.23169	5.7
367.24698	11.5
437.25247	2.6
463.26941	15.1
477.28384	80.9
478.28522	4.1
517.31262	2.7
557.34509	34.6
575.35675	32.7
576.36029	3.1
626.51685	2.6
640.07458	2.4
772.30719	2.7
773.35614	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	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.6
55.05503	35.3
57.03431	12.4
57.07083	1.2
59.04985	3.2
61.02916	1.7
65.03918	2.3
67.05493	31.0
67.05853	1.7
69.03411	3.7
69.07056	14.6
71.01339	1.5
71.04980	4.4
73.02917	1.1
77.03871	0.9
79.05482	40.5
81.03400	14.4
81.07042	35.0
83.01319	7.6
83.04965	15.6
83.08607	27.9
85.02895	8.9
85.06533	2.8
91.03944	1.4
91.05466	29.9
93.07030	44.9
95.04952	59.7
95.08588	21.5
96.05286	1.2
97.02876	3.4
97.06516	9.0
97.10154	10.6
98.49910	1.1
99.04437	6.1
99.08065	1.6
103.05439	1.0
105.04469	1.4
105.07014	26.7
106.07327	1.4
107.04939	17.2
107.08579	32.6
109.06495	11.9
109.10137	9.1
111.04433	9.3
111.08061	6.1
115.05418	1.0
117.07003	14.6
119.08561	23.9
121.06475	8.8
121.10112	17.7
123.04372	1.1
123.08043	14.7
123.11674	1.9
125.05965	2.3
125.09606	11.6
129.06992	4.0
130.07803	1.4
131.08542	14.4
133.06476	1.3
133.10104	13.1
135.08035	6.5
135.11676	15.5
137.09607	4.0
139.07506	1.3
139.11180	1.7
141.06975	1.4
143.08539	4.1
145.10098	24.6
147.08041	4.6
147.11626	7.1
149.09589	23.4
149.13213	1.5
149.48021	0.9
151.11125	2.1
153.12695	3.1
155.08488	1.6
157.10043	1.5
159.08055	1.8
159.11673	8.4
161.09586	2.2
161.13275	3.0
163.11154	43.1
165.08952	1.5
165.12697	2.8
169.10077	1.5
171.11638	2.4
173.09586	4.5
173.13260	2.3
175.11072	1.9
177.12697	3.3
181.12215	3.0
183.11644	2.4
187.11168	2.0
189.11238	10.1
189.12848	1.3
191.10603	3.5
191.14230	1.4
197.13225	2.0
201.14545	1.0
205.12189	4.0
209.11722	6.9
211.13310	1.8
223.13255	32.7
227.12718	8.3
229.19513	2.8
238.50668	0.9
239.17903	3.9
247.20522	2.3
257.18991	8.3
265.14227	1.9
275.20026	50.4
276.20444	1.4
283.15353	100.0
284.15698	2.7
291.19601	1.5
293.21051	35.7
294.21472	1.2
311.22412	1.3
349.23685	17.8
367.24728	37.9
368.24963	2.1
437.25638	1.2
477.28867	1.2
483.31006	1.0
487.27271	1.4
539.33484	2.8
557.34619	28.4
558.34772	2.3
575.35699	87.0
576.35809	6.1
593.36859	1.1
772.31683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	10.5
55.05248	2.2
55.05504	29.1
57.03428	12.5
57.07060	3.2
59.04992	3.4
61.02910	2.3
64.56090	1.2
65.03942	2.6
66.32474	1.5
67.05496	41.4
69.03439	2.7
69.07060	22.9
71.01357	2.0
71.04983	5.0
73.02897	1.7
77.03973	1.4
79.05029	3.1
79.05484	48.7
81.03400	10.7
81.07046	88.8
83.01327	7.4
83.04983	13.3
83.08608	20.5
85.02894	3.6
85.06555	2.6
91.05466	39.4
93.03452	1.5
93.07031	46.4
95.04962	20.8
95.08591	28.1
97.02879	4.6
97.06508	9.9
97.10162	4.2
99.04436	3.6
99.08064	4.0
99.87501	1.3
105.04518	1.9
105.07012	28.8
107.04948	14.2
107.08582	30.1
109.06506	29.0
109.10129	9.9
111.04427	3.0
111.08074	5.1
113.06049	1.8
115.05402	2.3
117.07004	11.5
119.08558	29.1
121.06504	6.1
121.10123	18.7
123.08062	13.4
123.11710	5.9
125.09639	3.8
128.06194	2.2
129.06970	3.6
130.07761	1.4
131.08530	14.0
133.06487	1.6
133.10129	19.2
135.08017	6.0
135.11671	16.6
137.09605	5.4
139.07547	1.9
140.79755	1.4
141.06902	2.1
143.08566	2.8
145.06470	1.4
145.10103	24.6
147.08086	3.1
147.11665	13.9
149.09630	7.7
149.13245	5.1
151.11133	3.5
153.12785	1.8
155.08560	1.7
157.10051	4.2
159.11710	6.8
161.09642	1.6
161.13255	4.6
163.11168	33.3
163.14787	2.3
165.12726	4.5
169.10081	1.7
171.00597	1.4
171.11647	2.1
173.09602	3.9
173.13232	2.8
175.11124	3.1
175.14735	1.7
175.39680	1.4
177.12682	2.5
181.12251	4.4
183.11632	1.9
184.07417	1.3
184.80856	1.5
191.10631	2.2
193.12175	1.9
195.13824	1.7
203.22452	1.6
209.11681	5.6
227.12796	10.7
229.19531	2.8
233.15721	1.3
247.20566	4.4
257.18997	3.9
267.16010	2.7
275.20035	65.1
276.20419	2.6
283.15359	100.0
284.15604	2.8
293.21021	21.3
331.23080	1.5
349.23663	34.3
350.23938	2.7
367.24753	41.3
368.25223	1.5
402.10632	1.5
539.33582	5.6
557.34686	87.0
558.35107	6.7
575.35730	86.1
576.35938	7.4
734.72302	1.6
773.33221	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	772.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.5
55.05252	1.6
55.05507	27.5
57.03429	9.9
57.07071	2.2
59.04977	2.4
61.02905	3.2
65.03941	2.1
66.48079	0.8
67.05492	30.2
67.05853	1.7
69.03421	2.9
69.07059	11.2
71.01330	1.5
71.04973	3.8
74.95391	0.9
79.05482	34.5
79.39781	0.9
81.03405	10.6
81.07046	32.4
83.01324	6.2
83.04974	12.8
83.08610	25.7
85.02886	6.1
85.06548	2.3
91.05467	33.5
93.07033	37.0
95.04959	18.5
95.08596	20.8
95.44151	1.0
97.02875	3.8
97.06529	7.8
97.10134	3.7
99.04450	1.8
99.08071	1.5
103.05451	1.1
105.04525	1.8
105.07018	28.6
107.04940	16.5
107.08585	25.9
109.06504	8.5
109.10130	13.4
111.04423	2.7
111.08057	5.0
115.05426	1.5
117.07001	13.1
119.08557	24.5
121.06498	6.6
121.10139	16.7
123.04420	1.3
123.08064	9.5
123.11679	2.5
125.05960	1.9
125.09627	4.8
129.06963	3.9
130.07777	1.9
131.04936	1.2
131.08539	15.9
133.06438	2.0
133.10100	16.7
135.08026	5.7
135.11665	13.7
137.09579	5.1
139.07527	1.3
141.07022	1.1
142.07788	1.4
143.08545	2.3
145.06480	1.2
145.10097	26.0
147.07968	4.5
147.11659	10.5
149.09607	15.7
151.11188	3.9
153.12781	1.9
155.08522	2.7
157.10172	2.6
159.11691	9.7
161.09601	2.6
161.13240	2.2
163.11148	32.8
165.12701	2.9
169.10144	3.2
171.11772	2.3
173.09570	3.4
173.13252	4.4
175.11191	2.0
177.12735	2.1
181.12213	3.4
183.11650	1.8
185.13280	1.4
189.54538	1.1
191.10641	3.2
193.12143	2.1
197.13269	2.1
209.11688	5.5
211.14894	1.1
215.17830	1.2
222.47171	0.9
223.13194	2.4
227.12724	3.8
239.17961	4.9
247.20595	2.9
253.14250	2.4
257.18985	7.0
273.18509	1.3
275.20032	51.3
276.20221	1.6
283.15356	100.0
284.15729	1.5
285.16678	1.3
291.19669	1.2
293.21094	9.3
349.23672	34.9
350.23621	1.1
365.23169	1.6
367.24692	18.9
377.66718	1.2
387.28394	1.2
394.57788	1.4
416.73547	1.1
451.17288	1.1
465.30023	0.9
539.33539	2.4
557.34662	45.4
558.34662	3.5
575.35718	44.5
576.35675	2.9
773.35559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	16.8
55.05504	42.0
57.03422	22.1
62.04548	6.2
67.05494	53.8
68.14291	6.7
69.03413	11.7
69.07066	33.5
71.04965	7.1
79.05482	63.4
80.10352	6.5
81.03406	42.6
81.07044	80.0
83.04966	26.2
83.08611	29.3
85.02872	13.0
85.06522	11.3
86.09701	7.3
91.05468	67.3
93.07025	65.6
95.04961	59.2
95.08603	31.8
96.05264	6.9
96.42371	6.7
97.02902	8.4
97.06525	11.6
97.10149	9.4
105.03365	14.3
105.07008	51.8
107.04949	31.5
107.08567	53.0
109.02895	6.9
109.06494	33.7
109.10173	14.5
111.04430	11.8
111.08118	10.2
111.11736	6.2
117.07005	28.6
119.08545	35.4
121.06446	9.5
121.10116	22.6
123.08054	11.4
125.09636	13.8
129.06995	10.5
131.08528	26.0
133.10092	27.2
135.08018	18.8
135.10757	6.1
135.11684	25.6
143.08549	8.9
145.10133	37.2
147.08031	9.4
147.11693	20.8
149.09602	25.5
157.10156	8.5
159.11665	10.4
161.09479	7.2
163.11159	50.7
175.11079	8.0
177.12561	6.6
193.12247	14.6
211.13264	24.3
220.00658	6.4
223.13246	12.8
227.12767	34.9
257.19144	8.1
267.15930	10.4
273.18573	11.7
275.20071	37.5
282.88959	6.2
283.15314	87.5
284.15723	8.6
285.17020	23.3
291.19482	45.4
293.21088	25.4
349.23645	27.4
365.23111	21.9
367.24887	33.7
394.80496	7.0
443.02072	8.8
446.75186	7.2
557.34515	55.3
575.35480	100.0
576.35840	11.9
610.61530	7.2
688.70453	6.7
772.31427	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	772.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	14.1
55.05253	2.6
55.05501	39.2
57.03425	20.1
57.07049	4.2
59.05001	2.2
59.19375	1.5
61.02914	4.7
65.03920	4.4
67.05492	61.6
69.03410	8.8
69.06702	2.6
69.07053	31.6
71.01317	1.5
71.04983	8.1
73.02896	2.1
73.21504	1.4
77.03967	1.5
79.05478	63.5
81.03407	27.4
81.07042	86.5
82.07333	1.5
83.01332	7.3
83.04961	20.6
83.08604	25.0
85.02883	13.2
85.06503	4.2
91.03951	1.5
91.05464	55.5
93.07028	67.8
95.04951	25.3
95.08591	37.5
97.02850	8.8
97.06516	17.3
97.10158	9.8
99.04427	4.9
99.08085	2.9
103.05412	2.3
105.03360	1.9
105.04509	2.6
105.07010	41.3
107.04927	20.2
107.08572	43.3
109.02878	3.3
109.06496	16.3
109.10152	13.8
111.04398	4.1
111.08043	9.3
115.05450	1.5
117.07008	23.0
119.08554	32.8
121.06504	8.7
121.10123	24.5
123.08060	11.8
123.11684	4.6
125.05941	2.6
125.09598	5.6
125.30208	1.5
127.03889	3.1
128.06248	1.9
129.05431	1.9
129.06985	9.8
130.07756	5.0
131.04878	1.6
131.08548	22.9
133.06470	2.4
133.10094	20.9
135.08044	8.2
135.11665	33.2
137.09581	4.2
143.08531	5.6
145.06468	2.6
145.10104	31.6
147.08018	5.7
147.11632	15.5
149.09598	13.0
149.13245	6.1
151.11166	3.5
153.12703	4.5
155.08530	5.7
157.10092	7.7
159.11674	11.4
161.09578	3.0
161.13245	3.1
163.11156	43.8
163.14812	1.8
165.09135	1.9
165.12788	1.7
169.10103	2.9
171.11656	3.5
173.09544	4.1
173.11832	1.7
173.13264	3.2
175.11107	2.7
177.12717	2.7
177.44965	1.7
181.12206	7.0
185.13210	2.2
189.11179	4.6
191.10622	4.1
193.12254	6.6
195.13757	4.6
203.97697	1.7
204.54222	1.8
209.11676	8.5
211.13217	15.3
213.16432	1.8
223.13351	2.8
227.12726	25.1
229.19283	3.2
247.20529	2.5
249.14697	1.7
255.15829	6.4
257.18933	5.1
267.15866	10.1
269.17407	18.1
273.18277	3.8
275.20007	39.9
283.15347	100.0
284.15701	3.4
285.16940	10.2
291.16260	1.9
291.19510	28.7
292.19797	2.4
293.21045	3.7
309.20499	2.2
313.21442	2.0
331.22598	2.0
349.23676	29.9
365.23157	12.1
367.24606	12.9
409.24042	1.7
453.24399	1.7
463.26782	20.0
475.79343	1.8
477.28384	64.9
478.28424	4.8
517.31635	3.4
539.33484	3.0
557.34656	48.7
558.34955	3.6
575.35681	42.5
576.36176	3.9
606.47595	1.7
621.31854	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	772.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.5
55.05503	20.6
57.03428	11.0
57.07087	1.5
59.04993	3.5
59.92605	1.1
60.50885	1.2
61.02932	3.1
65.03909	3.2
67.05497	61.2
69.03421	2.5
69.07061	12.2
69.50980	2.3
69.51364	3.2
71.01353	2.8
71.04984	5.2
71.08588	1.4
79.05485	51.6
81.03410	23.6
81.07047	56.8
83.01339	1.6
83.04975	9.5
83.08611	9.3
84.10426	1.2
85.02885	7.4
85.06540	1.9
87.18819	1.1
91.04005	1.4
91.05468	31.3
93.06439	2.9
93.07034	57.0
95.04958	14.2
95.08595	38.5
95.15397	1.2
97.02876	7.9
97.06526	9.4
97.10156	4.8
99.04465	3.6
99.08077	1.5
103.05508	1.2
105.04501	2.9
105.07027	19.1
107.04946	13.6
107.08579	27.4
109.06528	10.2
109.10135	13.6
111.04430	21.7
111.08046	3.0
113.16311	1.2
115.05393	1.4
117.07021	11.5
119.08568	15.8
121.06493	6.2
121.10132	21.2
123.08064	6.5
123.11705	4.1
125.05988	5.1
125.09633	2.6
127.03885	1.7
129.07004	3.6
130.07687	1.5
131.08531	11.1
133.10097	9.0
135.08038	3.1
135.11667	22.4
137.09607	3.8
142.73738	1.4
143.08542	1.9
145.06491	2.7
145.10114	20.1
145.24173	1.2
147.08055	4.6
147.11682	6.6
149.09612	3.6
149.13223	3.2
151.11201	1.3
152.93127	1.3
153.12744	7.0
155.08557	3.2
157.10136	2.1
159.11655	3.2
161.13313	3.9
163.11153	23.9
163.14845	2.8
169.10146	1.7
171.11594	1.4
173.09590	8.3
173.13306	4.4
175.14932	1.7
177.12715	1.7
177.16432	1.7
181.12231	4.4
187.14732	2.6
189.11121	1.6
189.16455	1.5
191.10622	8.9
209.11713	11.4
223.13239	16.9
227.12688	9.7
241.14316	30.4
241.19507	1.7
242.14711	1.8
243.21048	3.1
259.20401	2.3
261.22092	11.2
265.14291	8.1
267.15891	2.6
280.01935	1.4
283.15384	16.5
297.16962	2.2
299.23672	3.9
315.17969	46.0
317.24628	3.1
335.25745	100.0
336.26123	3.6
381.90976	1.3
411.60947	1.8
469.33191	2.3
525.35718	13.0
543.36731	63.4
544.37067	3.5
575.39362	96.5
576.40063	3.2
580.61102	1.5
609.45093	2.2
610.45251	4.2
631.87860	1.6
786.48187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03425	1.0
57.05746	0.3
61.02911	1.3
63.24104	0.3
65.03916	2.1
67.01859	0.3
67.05473	0.4
68.99789	0.8
69.03421	6.9
69.07053	0.5
70.06581	0.6
71.04986	1.4
71.44032	0.4
73.02891	0.6
81.03405	8.7
81.07041	0.6
81.93481	0.3
83.01318	0.6
85.02891	7.2
85.42974	0.3
88.07335	0.3
91.05466	0.7
93.07017	0.4
95.04966	2.8
95.08614	0.5
96.98798	0.3
97.02880	17.8
99.04442	2.8
105.03374	1.4
107.04977	0.3
109.02856	4.9
109.10182	0.3
111.04419	1.4
115.03905	0.4
119.04948	0.6
119.08565	0.4
121.02848	73.2
121.03867	2.3
122.03199	1.3
127.03892	6.3
128.04213	0.3
133.02832	0.6
137.02330	1.2
137.05988	0.8
139.03879	10.3
145.02896	0.7
145.04938	8.1
145.06136	0.5
145.06575	0.3
147.04402	1.2
151.03880	0.5
153.01790	2.5
161.05974	0.4
165.01837	1.1
167.07022	0.6
177.05460	1.0
178.04968	0.6
181.04939	0.9
185.05937	0.4
185.16695	0.3
197.48720	0.3
206.04514	1.1
207.06473	1.3
213.05478	0.7
231.06419	1.1
241.04955	0.9
245.04279	0.4
258.05096	0.7
265.07040	10.0
283.08087	6.3
285.11285	0.4
287.05453	100.0
288.05792	2.9
294.12463	0.5
299.05499	0.4
329.06516	0.5
569.13000	0.5
627.45398	0.3
670.49103	0.3
773.31012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.191
Annotation	Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01863	0.4
57.03425	1.0
57.05746	0.3
61.02911	1.3
63.24104	0.3
65.03916	2.1
67.01859	0.3
67.05473	0.4
68.99789	0.8
69.03421	6.9
69.07053	0.5
70.06581	0.6
71.04986	1.4
71.44032	0.4
73.02891	0.6
81.03405	8.7
81.07041	0.6
81.93481	0.3
83.01318	0.6
85.02891	7.2
85.42974	0.3
88.07335	0.3
91.05466	0.7
93.07017	0.4
95.04966	2.8
95.08614	0.5
96.98798	0.3
97.02880	17.8
99.04442	2.8
105.03374	1.4
107.04977	0.3
109.02856	4.9
109.10182	0.3
111.04419	1.4
115.03905	0.4
119.04948	0.6
119.08565	0.4
121.02848	73.2
121.03867	2.3
122.03199	1.3
127.03892	6.3
128.04213	0.3
133.02832	0.6
137.02330	1.2
137.05988	0.8
139.03879	10.3
145.02896	0.7
145.04938	8.1
145.06136	0.5
145.06575	0.3
147.04402	1.2
151.03880	0.5
153.01790	2.5
161.05974	0.4
165.01837	1.1
167.07022	0.6
177.05460	1.0
178.04968	0.6
181.04939	0.9
185.05937	0.4
185.16695	0.3
197.48720	0.3
206.04514	1.1
207.06473	1.3
213.05478	0.7
231.06419	1.1
241.04955	0.9
245.04279	0.4
258.05096	0.7
265.07040	10.0
283.08087	6.3
285.11285	0.4
287.05453	100.0
288.05792	2.9
294.12463	0.5
299.05499	0.4
329.06516	0.5
569.13000	0.5
627.45398	0.3
670.49103	0.3
773.31012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2121
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
55.01864	0.3
57.03412	0.6
58.06581	0.3
59.19228	0.3
61.02641	0.2
61.02921	4.3
69.03420	2.0
69.20476	0.2
70.78958	0.3
71.04980	1.2
73.02896	1.1
79.53162	0.2
80.90101	0.3
81.03391	0.8
85.02894	9.7
91.03947	2.6
91.05471	0.3
97.02882	3.4
99.04421	0.6
107.04916	0.3
109.02853	0.9
111.00780	0.6
115.03948	0.3
119.04922	0.5
121.02872	2.1
127.03897	1.9
133.22229	0.3
137.02289	0.7
145.04936	2.1
147.04408	1.1
153.01799	2.3
163.05983	0.7
165.01820	1.8
175.03902	0.3
183.02930	0.8
189.05418	0.3
197.05939	0.3
207.06561	1.3
208.06853	0.5
213.05450	1.0
231.06349	0.3
241.04927	0.7
258.05191	0.7
259.05777	0.3
287.05450	100.0
288.05786	2.5
303.04941	9.3
329.06473	0.6
339.54550	0.2
353.06427	0.4
378.06778	0.3
449.10715	15.3
450.10760	0.7
465.10181	1.8
640.24036	0.3
801.72382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2124
Annotation	Kaempferol 3-sophorotrioside
Peak:m/z	Relative Intensity
56.73492	0.2
57.03423	0.6
61.02916	3.6
68.99794	0.3
69.03412	1.8
71.04976	0.4
73.02923	1.1
76.91817	0.2
81.03408	0.6
85.02893	8.6
91.03949	2.7
94.09396	0.2
97.02872	3.6
99.04428	0.5
107.04942	0.3
109.02824	0.4
111.00753	0.6
115.03907	0.3
121.02847	1.8
127.03895	2.2
131.04550	0.2
133.02838	0.3
137.02289	0.6
145.04912	2.2
147.04443	0.4
152.08253	0.2
153.01794	2.7
163.06010	1.1
165.01791	1.3
175.03841	0.3
183.02821	0.5
207.06439	1.2
213.05435	1.0
231.06514	0.6
241.04958	0.7
258.05197	0.5
269.04089	0.2
271.56409	0.2
287.05438	100.0
288.05759	2.9
299.05615	0.4
303.04956	2.9
329.06818	0.3
413.09659	0.3
449.10709	17.3
450.10880	0.8
465.10126	0.3
541.23199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05507	5.4
55.44471	0.5
57.03430	3.1
57.07058	0.7
57.31406	0.5
59.04996	0.5
61.02922	4.8
67.05493	8.3
69.03422	3.8
69.07056	3.4
70.14989	1.4
71.01336	0.7
71.04977	1.7
72.69460	0.6
73.02908	3.7
79.05484	10.3
79.37707	0.5
81.03410	6.6
81.06569	0.7
81.07042	13.4
82.07391	1.2
83.04966	3.9
83.08613	3.2
85.02895	6.0
85.06527	0.6
87.04452	0.7
91.03944	3.3
91.05469	9.1
93.07026	8.9
93.76177	0.5
95.04955	5.0
95.08597	4.1
97.02893	5.2
97.06546	1.6
97.10162	1.8
98.03253	0.5
99.04415	1.3
100.33915	0.5
101.02368	2.2
105.07020	6.8
106.07346	0.7
107.04929	3.1
107.08580	5.2
109.02872	1.6
109.06519	4.7
109.10158	2.4
111.04430	1.3
111.08092	1.0
113.05954	0.7
113.09646	0.6
115.05478	1.0
117.07001	3.3
119.08549	5.3
121.06489	2.2
121.10091	3.0
122.10334	0.5
123.08054	2.2
125.09624	1.1
127.03914	1.8
129.06967	2.5
130.04707	0.6
131.08577	3.5
133.10124	4.9
134.10445	0.9
135.08063	3.3
135.11703	2.2
137.09634	1.4
143.08598	1.3
145.10115	4.0
146.10492	0.7
147.08038	1.1
147.11685	1.9
149.09625	1.9
151.11166	0.7
153.09169	0.6
155.08514	0.8
157.10184	1.3
159.08064	1.0
159.11691	0.9
161.09581	1.2
161.13254	0.7
163.11166	5.1
164.11435	0.8
173.09619	0.9
179.10751	0.5
181.12172	1.0
185.04254	0.7
191.10645	0.8
193.12230	0.7
209.11684	1.0
211.13235	0.8
223.13217	0.6
227.12726	1.4
243.08426	2.9
253.14276	0.6
267.15924	1.2
273.18500	1.0
275.20090	2.9
276.20355	1.5
283.15335	4.3
284.15674	1.6
291.19693	1.5
322.49890	0.5
329.17206	1.8
331.18704	0.6
349.23718	1.8
350.24191	0.8
365.23450	0.6
367.24844	1.1
385.19565	0.8
389.10638	0.6
465.20795	1.2
467.18887	9.0
501.42355	0.7
547.25214	6.1
557.34332	1.2
558.34888	3.4
559.36133	1.2
575.35828	1.9
576.36230	3.8
577.37244	1.2
657.43005	0.8
773.37061	100.0
774.37500	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	773.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
55.05502	3.5
55.76273	1.0
57.03422	2.1
61.02911	3.7
63.89633	1.0
67.05486	7.7
69.03425	2.7
69.07064	4.5
71.04991	1.3
71.06200	1.0
73.02924	3.1
79.05488	7.4
81.03407	3.0
81.07050	6.4
83.04948	1.9
83.08598	1.7
85.02909	4.8
87.04461	1.3
91.03958	2.3
91.05483	6.9
93.07043	5.5
95.04954	3.0
95.08608	2.9
97.02876	3.9
97.10181	1.8
101.02352	1.3
105.07014	5.4
107.08590	4.0
109.06532	2.1
109.10164	1.3
117.07026	1.5
119.08601	3.4
121.10132	1.1
123.08034	1.2
125.09619	1.4
127.03968	1.1
129.07022	1.1
131.08551	1.3
133.10126	1.7
145.10164	1.6
147.11711	1.4
184.07237	1.4
185.04205	1.2
199.69278	1.1
220.85378	1.0
223.13310	2.0
243.08543	3.6
267.09152	1.3
291.19592	2.4
329.82086	1.1
335.20773	1.2
465.20898	8.3
549.26422	5.9
555.25891	1.3
773.40594	100.0
774.40680	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	773.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	39.4
57.03427	15.1
61.02915	13.5
61.20887	5.0
61.55488	5.4
65.03918	7.5
67.05495	91.7
69.03426	10.2
69.07058	28.7
70.61526	8.0
73.71907	4.9
79.05484	89.2
81.07047	100.0
83.08591	14.4
85.02892	14.1
91.05465	79.3
93.07040	83.3
95.04957	17.4
95.08599	70.3
97.02878	17.6
97.10178	7.4
103.05447	8.0
105.07019	64.1
107.08578	45.8
109.06461	5.3
109.10139	23.1
115.04446	5.8
117.06993	28.4
119.08572	53.3
121.10123	33.3
123.11694	6.7
129.06996	15.0
131.08551	52.2
133.10123	55.6
135.11664	23.5
137.13123	5.7
139.60216	4.7
143.08548	23.4
145.10126	37.9
147.11653	30.3
149.13245	12.2
157.10135	20.9
159.11656	29.7
161.13271	16.1
162.09206	6.3
167.08549	7.0
167.65831	5.9
169.10136	12.6
171.11693	16.7
173.13245	17.6
175.14793	10.2
183.11745	6.7
185.13249	13.8
187.14799	7.4
199.14796	7.9
216.80809	5.1
241.19537	13.2
259.20514	33.6
303.49811	6.0
333.24200	23.2
335.25790	57.4
351.25751	5.6
367.22427	5.3
611.46655	53.2
773.51617	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	774.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.8
55.05254	3.9
55.05505	60.1
57.03430	21.1
57.03653	2.6
61.02941	3.9
65.03934	6.3
67.05150	6.5
67.05498	80.3
69.03416	8.4
69.07060	30.6
69.62486	14.0
71.04982	15.5
77.03941	3.7
79.05478	81.1
81.03406	74.3
81.07049	94.6
82.07371	5.0
83.04974	27.9
83.08612	55.6
85.02889	33.9
85.06498	4.1
86.09717	6.3
91.05474	92.3
92.05799	4.2
93.07029	75.0
95.04952	58.5
95.08592	48.5
97.02907	5.7
97.06518	25.8
97.10156	12.4
98.22707	4.3
99.04463	3.7
99.08068	4.0
105.07028	76.9
107.04957	25.1
107.07904	5.7
107.08577	45.8
109.02931	3.5
109.06494	24.3
109.10152	23.9
111.04433	5.9
111.08067	15.9
113.06021	5.6
115.05491	4.0
115.74940	3.5
117.06999	24.3
119.08562	60.3
121.06505	10.1
121.10139	25.4
123.08045	9.6
123.11714	4.0
125.09633	7.7
129.06995	19.8
131.08559	36.8
133.06502	5.3
133.10115	45.9
135.08064	10.3
135.11708	20.9
137.09621	9.0
139.11177	3.9
142.07834	4.1
143.08571	9.2
145.10110	32.9
147.08067	4.9
147.11665	35.5
149.09604	44.2
149.13254	6.2
151.11179	8.9
155.08604	4.4
157.10088	23.8
159.11740	9.8
161.13322	5.3
163.11159	35.3
165.12788	10.6
169.10114	4.1
171.11685	6.0
173.13235	6.6
175.11191	13.2
177.12721	4.5
183.11742	4.6
185.13155	4.7
187.14734	4.4
189.11208	4.5
193.12225	54.3
197.13234	5.3
211.13255	63.5
215.14281	3.7
223.13237	6.4
227.12688	5.5
239.17921	14.6
253.14397	4.0
257.18860	16.0
267.15872	47.7
275.20023	100.0
275.22888	6.7
283.15363	6.1
285.16901	90.5
291.19473	5.5
293.21045	10.4
349.23676	82.2
350.24030	4.4
367.24615	31.7
383.44324	3.3
431.29654	3.7
447.26910	4.3
479.29712	17.4
541.35168	40.5
542.35297	5.2
559.36273	85.3
560.36115	10.1
577.37299	54.6
611.17639	3.3
775.38721	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	774.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.7
55.05503	38.9
57.03431	22.4
61.02898	4.6
65.03934	5.6
67.05495	63.1
69.03418	5.9
69.07056	26.5
70.07631	3.2
70.07936	2.8
71.04977	7.5
79.05480	60.6
81.03403	76.8
81.07043	100.0
82.07388	2.9
83.04965	20.0
83.08600	40.0
85.02891	28.0
85.06539	4.7
91.05462	63.6
93.07027	48.7
95.04947	51.2
95.05509	3.1
95.08598	36.6
96.09012	2.1
97.02885	5.6
97.06505	14.1
97.10147	7.5
98.23318	3.1
99.04441	3.0
99.08064	4.4
105.07015	50.8
107.04937	18.6
107.08572	32.8
109.02872	2.7
109.06492	24.8
109.10131	13.4
111.04430	6.2
111.08060	15.9
113.05981	2.6
116.06236	2.1
117.07033	14.4
119.08566	43.0
121.06491	7.5
121.10100	22.7
123.08030	10.4
123.11710	7.0
125.09620	7.2
125.35747	2.4
129.06992	14.3
131.08540	25.5
131.53009	2.0
133.06491	5.8
133.10109	28.6
135.08043	10.1
135.11664	12.7
137.09589	6.3
139.11235	3.2
142.07793	3.4
145.10095	17.0
147.08089	4.6
147.11658	35.0
149.09612	21.4
149.13263	5.1
151.11143	3.8
157.10089	18.9
159.11696	6.1
161.09656	3.6
161.13225	3.2
163.11182	17.4
164.11565	2.3
165.12717	8.6
171.11719	2.7
173.13252	4.5
175.11153	22.1
177.12650	2.8
181.12198	4.3
189.11171	2.3
191.14230	2.5
193.12212	39.3
197.13272	2.5
211.13260	50.8
211.15089	3.6
219.17390	2.5
223.13258	7.1
226.92113	2.4
227.12709	5.7
239.18031	2.8
247.20578	3.5
257.18948	5.9
267.15875	36.3
275.20004	56.5
275.22867	3.2
276.20816	2.6
284.15884	3.9
285.16919	73.6
286.17334	4.7
293.21075	18.7
349.23685	33.7
367.24713	31.7
381.22464	3.4
452.29373	2.3
467.31421	3.0
491.82437	2.2
510.57663	2.1
541.35089	32.4
542.35132	4.1
559.36200	72.1
560.36603	3.1
577.37390	56.9
578.37628	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	774.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.7
55.05502	53.8
57.03431	16.9
57.03693	2.3
61.02916	3.9
65.03942	6.2
67.05495	62.6
68.82700	1.6
69.03416	7.7
69.07055	23.6
71.04992	9.7
77.03920	2.8
79.05481	62.0
79.12170	1.6
80.05820	1.9
81.03406	74.6
81.07044	65.8
81.29434	1.5
83.04964	25.2
83.08604	51.1
83.09089	3.0
85.02896	35.1
85.06538	5.2
85.52032	1.5
86.09715	1.7
87.96397	2.1
91.05465	68.8
93.07028	56.0
93.07592	3.2
95.04954	100.0
95.08590	36.6
96.05249	2.3
97.02882	6.5
97.06499	12.3
97.10151	19.1
98.23514	3.0
99.04441	6.4
99.08086	2.4
105.03405	3.2
105.04514	3.1
105.07015	56.6
107.04944	22.0
107.08581	42.0
109.06507	11.9
109.10127	18.4
111.04427	13.2
111.08083	15.4
113.05972	3.3
115.05464	2.9
117.06965	16.3
119.08565	47.4
121.06512	12.0
121.10127	28.8
123.08028	9.0
123.11665	3.2
125.09612	13.1
129.06981	16.4
131.08553	29.1
133.06496	4.4
133.10100	30.2
135.08043	7.4
135.11667	11.6
137.09587	6.6
139.11162	3.8
141.06935	3.1
142.07765	4.5
143.08554	3.9
145.04927	1.7
145.10098	26.3
147.08011	7.3
147.11659	27.3
149.09592	40.2
150.09871	1.8
151.11182	5.1
153.09128	2.5
155.08453	3.5
157.10097	18.4
159.11676	10.7
161.09628	3.9
161.13260	4.7
163.11150	38.6
163.12413	2.7
165.12758	7.2
169.10118	5.6
171.11629	3.9
173.09695	2.2
173.11734	1.7
173.13231	4.6
175.11150	15.6
177.12720	4.8
177.48589	1.9
179.10744	1.6
181.12160	2.3
183.11694	2.3
187.11201	4.3
189.11195	14.8
193.12206	44.7
197.13274	2.6
199.14943	1.8
205.12236	5.1
205.15852	2.9
211.13235	74.0
215.17987	2.2
223.13251	50.3
227.12657	2.9
229.19357	1.8
239.17970	6.5
247.20688	2.0
249.14906	2.2
257.18976	13.0
267.15872	36.7
269.17352	2.8
275.20026	83.2
276.20541	2.4
280.93689	1.8
285.16925	85.2
286.17178	4.1
293.17914	3.3
293.21069	52.4
331.22153	2.1
349.23672	42.2
367.24692	53.4
368.25058	2.7
399.24445	1.8
527.30109	5.7
541.35071	23.8
559.36279	56.0
560.36768	4.5
577.37250	92.7
578.37506	5.5
774.32697	5.3
775.37262	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	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.5
55.05504	20.9
57.03431	17.8
59.04992	1.7
61.85183	1.4
65.03928	4.4
67.05496	63.8
69.03414	3.8
69.07059	15.9
70.70654	1.7
71.04977	3.8
79.05482	42.8
80.64218	1.3
81.03405	86.5
81.07045	59.2
82.03722	1.5
83.04962	5.6
83.08607	19.6
85.02888	2.7
85.06522	2.3
91.05466	36.3
93.07030	44.7
95.04951	31.0
95.08586	46.2
97.02867	3.7
97.06514	4.4
97.10141	7.4
100.48696	1.4
105.04526	1.6
105.06336	2.5
105.07016	28.1
107.04925	6.9
107.08572	27.1
109.06540	6.8
109.10143	23.2
111.08045	8.0
117.07011	8.8
119.08552	23.5
121.06490	3.4
121.10120	23.6
123.04386	2.6
123.08056	3.6
123.11697	5.5
125.09617	5.3
129.06993	10.5
131.04945	1.3
131.08539	17.8
133.06477	3.8
133.10121	12.4
135.08098	1.5
135.11682	11.7
137.09566	1.6
137.13251	2.8
141.06970	1.7
142.07796	1.7
143.08560	2.3
145.10097	9.5
147.08017	4.2
147.11650	14.8
149.09607	6.0
149.13203	7.7
157.10075	9.4
159.11655	6.3
161.13242	5.6
163.11156	2.4
163.14809	4.6
165.12733	3.2
169.10095	1.6
169.43634	1.3
171.10123	1.3
171.11702	2.6
173.09592	1.8
173.11867	2.0
173.13255	7.3
175.11182	7.0
175.14783	1.8
177.12810	1.3
183.11610	1.9
184.07286	1.9
185.13229	1.7
187.14778	3.9
189.11182	3.9
193.12198	25.5
227.12738	6.7
235.13336	1.4
243.21033	6.0
249.14851	3.5
259.13382	1.4
261.22125	21.5
267.15857	96.6
268.16260	3.1
299.23560	1.4
299.72980	1.6
301.14279	1.8
301.25092	4.6
307.18881	1.5
309.16934	2.6
317.24637	3.9
335.25751	100.0
336.26218	6.4
357.24219	1.4
388.37766	1.5
421.25534	1.8
435.32281	4.6
453.33466	9.2
471.34473	3.0
509.36017	2.0
527.37225	56.0
528.37463	6.0
545.38293	40.0
546.38129	2.9
569.38104	5.2
623.39398	1.4
684.32037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.4
55.05502	20.1
57.03428	20.5
57.07055	2.1
61.02922	1.4
65.03923	3.9
67.05493	64.8
69.03411	3.5
69.07057	14.6
70.72369	1.0
71.04980	4.5
77.03897	1.7
79.05477	46.8
81.03404	92.1
81.07040	63.1
83.04964	8.1
83.08608	21.9
85.02868	2.3
85.06512	2.6
91.05461	35.7
93.07030	45.2
95.04951	32.8
95.08591	42.7
97.02876	2.4
97.06509	6.1
97.10159	8.7
97.27106	1.0
99.04422	1.0
99.08078	2.6
105.04505	1.2
105.07008	26.8
107.04932	7.8
107.08577	25.7
107.09232	0.8
109.06503	5.3
109.10140	19.3
111.04379	1.4
111.08034	6.9
115.05399	2.2
116.06229	1.3
116.34261	1.1
117.06998	7.5
118.84933	1.0
119.04970	1.2
119.08559	23.0
121.06476	3.4
121.10110	23.0
123.08075	4.0
123.11700	6.5
125.09607	5.6
129.06992	10.4
131.08540	19.9
133.06487	3.5
133.10100	13.7
135.08040	2.4
135.11649	13.2
137.09581	2.1
137.13304	1.6
142.07648	2.2
143.08549	2.1
145.10101	10.4
147.07999	4.8
147.11653	14.6
149.09615	6.8
149.13240	7.8
151.11066	1.2
153.09143	1.3
155.08501	1.4
155.89928	1.1
157.10098	11.5
159.08063	1.7
159.11679	7.2
161.09555	1.7
161.13260	6.9
163.11140	1.9
163.14809	5.0
165.12740	2.4
169.10077	1.7
171.11563	1.6
173.13219	5.2
175.11171	8.5
175.14780	2.5
177.12677	1.2
179.54008	1.0
183.11609	1.1
185.13231	1.6
187.14825	3.1
189.11176	4.2
189.12685	1.2
193.12190	22.1
197.13257	1.2
197.79939	1.0
199.14764	1.3
211.13141	2.1
227.12639	7.1
235.13058	1.7
243.21046	4.5
247.16754	1.1
249.14848	4.4
261.22083	16.5
262.22333	1.2
267.15845	100.0
268.16339	4.8
279.23328	1.3
301.25156	7.5
303.23047	1.0
309.17072	2.5
317.24548	3.4
333.24530	1.0
335.25745	77.6
336.26056	3.9
417.31271	1.3
421.25500	2.3
423.32010	1.3
435.27158	2.2
435.32513	6.1
453.33542	7.4
471.34448	3.3
509.35947	2.4
527.37231	52.4
528.37439	4.6
545.38239	43.3
546.38702	3.2
559.39697	2.9
569.37775	3.2
577.41095	1.4
611.39148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
55.05504	16.7
56.14922	1.4
57.03437	15.0
57.07063	2.2
65.03936	2.3
65.96526	1.3
67.05495	54.8
69.03412	3.0
69.07051	12.8
70.72153	2.4
71.05001	2.1
79.05484	41.5
81.03407	74.8
81.07045	53.6
83.04975	5.0
83.08609	22.5
85.02917	1.7
85.06548	3.3
91.05468	33.6
93.06444	2.0
93.07034	41.0
95.04955	25.7
95.08597	37.1
97.02895	2.0
97.06532	4.3
97.10159	6.5
99.08097	1.9
105.07020	22.2
107.04948	6.6
107.08579	21.8
109.06489	3.2
109.10127	17.6
111.04394	1.5
111.08089	6.0
115.05478	2.8
117.07008	6.4
119.08562	19.5
121.06499	3.6
121.10142	21.8
123.08057	2.3
123.11701	6.1
125.09634	6.9
129.06970	8.6
131.08548	15.8
133.06458	3.1
133.10107	12.3
135.08145	1.5
135.11676	13.5
137.09579	1.9
137.13240	1.7
142.07776	3.2
143.08514	1.7
145.10104	12.2
147.08084	3.3
147.11664	12.0
149.09604	3.9
149.13284	5.5
155.08488	2.2
157.10083	10.7
159.11693	6.1
161.13251	5.5
163.11092	2.5
163.14828	4.0
165.12752	2.1
169.10121	1.9
171.11673	2.0
173.13255	6.9
175.11176	8.6
175.14822	3.6
185.13260	1.8
187.14796	2.6
189.11218	4.1
193.12219	21.3
201.16452	1.7
227.12665	7.5
243.21115	5.9
249.14911	2.8
261.22073	17.9
267.15869	100.0
268.16193	3.2
279.23129	1.7
301.25278	6.3
309.16901	2.5
311.01483	1.4
317.24567	3.1
335.25745	87.7
336.26117	4.1
421.25693	3.3
435.27420	3.0
435.32620	5.2
449.28769	1.7
453.33630	10.0
457.25156	1.8
467.26926	1.6
471.34570	4.5
527.37231	63.0
528.37573	6.5
545.38281	46.6
545.44427	0.9
546.38354	3.9
565.13263	1.5
569.37976	5.2
659.81018	1.7
723.06647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05512	2.9
56.96559	6.7
57.03429	1.7
60.72136	0.9
61.02936	3.3
67.05496	7.1
69.03437	3.2
69.07092	1.2
71.04993	1.4
71.43618	1.0
73.02917	3.2
78.10805	0.9
79.05483	7.1
81.03432	3.7
81.07046	11.7
81.07428	1.1
83.04982	2.7
83.08627	2.0
84.96010	1.2
85.02887	4.5
89.69023	1.0
91.03951	1.5
91.05489	6.7
92.05866	1.0
93.07029	7.2
95.05006	2.8
95.08612	3.0
96.10607	0.9
97.02910	3.4
97.06519	1.6
97.10172	1.2
98.97572	15.7
98.98145	1.1
99.04472	1.9
101.02427	1.7
105.07043	5.4
107.04988	2.3
107.08604	4.7
109.02917	1.2
109.06534	3.2
109.10178	3.0
110.97613	2.9
111.04443	1.2
111.08104	1.2
112.99120	5.0
116.98616	6.6
117.07018	1.0
119.08597	3.7
121.10143	2.1
125.09676	1.1
127.03928	1.0
128.98611	4.4
129.07043	1.2
131.00140	6.8
131.08574	2.5
133.10196	2.7
134.99677	2.5
135.08067	1.4
135.11778	2.5
143.00189	3.0
145.10194	2.5
146.99715	2.7
147.08139	0.9
147.11720	1.2
149.01215	9.5
152.98651	1.0
157.10165	1.3
158.99626	6.9
161.01274	2.6
161.09485	0.9
161.13303	1.1
163.11185	2.3
167.02301	2.0
170.99617	7.0
173.01218	1.5
175.11079	1.0
177.00665	7.5
185.01256	2.1
189.00682	7.4
191.02280	1.2
193.08630	1.4
199.02786	1.2
201.00714	2.1
203.02248	1.6
213.00769	1.2
213.60703	1.0
219.01741	5.3
237.02908	2.3
243.08521	2.9
261.02832	5.4
267.15799	1.1
275.04459	2.9
279.03906	6.3
279.12238	1.1
283.15402	1.5
284.16089	1.0
285.16931	1.2
293.05417	6.8
297.05081	1.6
309.05029	2.2
311.06683	2.7
317.17801	4.8
321.04852	22.3
322.05341	1.3
329.77121	0.9
331.19003	4.0
335.19009	2.2
339.06094	1.2
381.06976	1.6
437.09836	4.1
455.10709	10.8
467.18964	8.1
469.20135	1.2
476.19547	1.0
493.24063	1.4
539.25671	1.5
542.36157	1.3
549.27100	4.5
553.26959	2.1
572.10504	1.0
586.50238	1.2
715.31885	8.0
775.38629	100.0
776.38953	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	775.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
55.05504	5.4
57.03437	2.9
61.02910	3.5
67.05495	9.4
69.03425	3.6
69.07067	3.4
70.51909	1.9
72.63708	1.1
73.02926	1.7
79.05495	8.5
81.03413	7.9
81.07043	14.1
82.07391	1.5
83.04971	2.4
83.08620	3.9
85.02898	5.0
91.03964	1.9
91.05471	8.7
92.05814	1.3
93.07019	5.9
95.04973	6.3
95.08607	4.3
97.02895	4.0
97.10191	1.0
99.04468	2.1
101.02401	1.6
105.07005	6.5
107.04973	2.5
107.08613	3.9
109.02910	2.8
109.06534	4.3
109.10131	1.7
111.08141	1.5
117.07038	3.6
119.08556	5.5
121.10133	2.0
123.08043	1.5
125.09648	1.3
129.07001	2.7
131.08591	3.4
133.10159	4.3
135.08076	2.1
135.11725	1.6
137.09589	1.3
145.10138	2.5
147.08110	1.2
147.11699	2.2
149.09628	3.1
157.10088	1.2
159.08040	1.3
161.09641	1.6
165.12685	1.5
193.12279	3.8
194.12756	1.5
211.13353	3.8
221.27774	1.0
234.64291	1.1
243.08421	1.6
261.18628	1.1
267.16138	2.9
275.20078	3.0
276.20471	1.5
285.17010	4.1
286.17355	2.3
339.87244	1.1
349.16837	1.2
349.23840	2.1
368.25134	1.8
469.20374	5.3
541.35571	1.9
542.35620	3.2
547.25128	6.5
552.38953	1.1
559.36218	1.3
560.36786	3.7
578.36993	1.4
579.39227	1.4
775.38605	100.0
776.38605	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	775.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05499	2.9
56.61888	0.4
57.03431	2.7
61.02923	3.8
65.03954	0.7
67.05498	5.1
68.05852	0.4
69.03423	3.1
69.07076	1.5
71.01345	0.6
71.04984	0.7
73.02912	3.1
79.05480	5.0
80.05792	0.5
81.03403	3.7
81.07045	9.7
81.07496	0.6
82.07396	0.6
83.01334	0.7
83.04971	2.8
83.08611	1.7
85.02898	5.6
91.03948	2.6
91.05472	4.4
93.07037	4.6
95.04941	3.2
95.08591	1.8
97.02871	4.3
97.06520	0.8
99.04468	1.2
101.02393	1.6
103.03925	0.4
105.03399	0.6
105.06993	3.0
107.04961	1.5
107.08579	3.2
109.02892	0.4
109.06499	2.8
109.10164	1.2
111.04442	1.8
111.08080	1.0
117.06999	2.1
119.08582	2.5
120.08894	0.3
121.06532	1.0
121.10159	1.9
122.10492	0.4
123.08074	1.8
125.06066	0.5
125.09642	0.7
127.03893	0.9
129.07047	0.7
130.04083	0.3
131.08595	1.5
133.10130	1.8
135.08093	1.0
135.11685	1.9
137.09622	0.5
137.18167	0.4
143.08559	0.6
145.10071	2.7
147.08037	0.7
147.11699	0.9
148.12112	0.5
149.09641	1.1
153.12785	0.5
157.10086	0.6
159.11684	0.4
161.09604	0.8
163.11122	3.3
165.09132	0.5
173.09605	0.4
175.11208	0.4
181.12323	0.5
185.04207	0.9
191.10706	0.4
193.12320	0.7
198.04439	0.4
211.13286	0.9
217.54597	0.4
227.12863	0.4
243.08371	3.0
249.11006	0.5
267.15887	0.8
269.17621	0.5
271.15311	0.6
272.91037	0.4
273.18533	0.5
275.20090	0.7
283.15482	0.8
285.16925	0.8
291.19525	1.1
293.79807	0.4
331.18689	3.3
341.56613	0.4
382.22858	0.5
387.21603	0.7
467.18826	8.8
524.13763	0.4
542.35590	0.6
549.26636	7.4
560.36584	1.0
572.64948	0.4
578.37213	0.6
629.95685	0.4
697.82434	0.4
751.31738	0.4
775.38580	100.0
776.38953	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	775.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
55.05503	7.8
57.03430	4.4
57.74894	0.7
59.04997	0.9
61.02913	5.2
65.03933	1.1
67.05491	10.2
69.03417	4.5
69.07056	5.4
71.01388	0.9
71.04973	1.3
71.43694	0.9
73.02897	3.9
79.05475	13.1
81.03394	5.0
81.07042	11.4
82.07374	0.9
83.04977	2.9
83.08626	4.1
83.09069	1.0
85.02891	6.0
85.10194	0.9
91.03953	2.3
91.05461	11.0
93.07032	9.4
95.04939	5.7
95.08601	5.4
97.02876	5.3
97.06537	2.1
97.10166	2.2
99.04450	1.5
101.02374	1.8
105.07017	5.9
106.07359	0.9
107.04947	2.9
107.08584	8.2
109.02849	1.5
109.06505	1.0
109.10159	3.2
111.04453	1.0
111.08089	2.0
116.68335	1.0
117.06997	6.0
119.08565	5.8
121.06508	1.5
121.10143	3.3
123.08127	2.1
123.11665	1.1
125.09654	1.6
127.03909	1.6
129.07034	1.2
131.08607	2.7
133.10130	4.0
135.08057	4.4
135.11700	2.3
143.08533	1.8
145.06491	1.1
145.10139	3.8
147.11690	2.4
149.09605	1.9
155.08603	1.4
163.11108	5.2
165.09084	0.9
165.12811	1.1
169.10095	0.9
179.40088	0.8
181.12276	1.1
185.04306	0.9
189.11208	1.1
223.13235	1.9
238.95865	1.0
243.08482	3.3
255.12297	4.9
264.26770	0.7
275.20111	2.3
277.21738	2.6
278.22083	1.1
283.15454	4.2
284.15717	1.5
291.19623	1.8
293.20959	1.9
295.22751	1.3
331.18799	1.7
351.25433	1.1
352.25537	1.0
369.26471	1.2
399.19360	5.6
467.18958	9.0
549.26862	4.1
549.34967	1.0
551.27979	0.9
559.36316	2.4
560.36621	3.3
577.37195	1.3
578.37714	3.3
579.27148	3.7
641.43518	1.2
712.72607	1.1
757.37311	1.0
775.38599	100.0
776.38947	8.1
781.77826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05499	3.0
57.03442	1.2
58.81900	0.4
59.80412	0.5
61.02920	3.6
67.05496	5.6
69.03425	2.7
69.07051	2.9
69.09525	3.1
71.04995	0.6
73.02910	3.2
79.05477	6.4
81.03389	2.7
81.07038	6.9
83.04985	1.2
83.08631	1.2
85.02896	4.2
91.03940	2.3
91.05462	5.3
93.07031	5.6
95.04951	2.7
95.08601	3.5
97.02893	4.1
97.06547	1.0
97.10220	0.6
99.04466	0.8
101.02412	1.7
105.06998	3.4
107.04949	0.6
107.08578	3.2
109.02899	1.0
109.06528	1.5
109.10180	1.6
111.08109	0.7
115.04025	0.4
117.07034	1.3
119.08579	2.9
121.10155	1.8
123.08109	1.3
127.03940	1.2
127.71987	0.4
129.07027	1.0
131.08600	1.1
133.10098	2.1
135.11729	0.5
143.08621	0.7
145.10130	1.1
147.07997	0.6
147.11655	3.2
149.09604	0.7
159.11751	0.6
161.13312	0.9
163.11212	0.8
169.10059	0.7
171.11754	1.4
185.04300	0.7
203.05258	0.6
234.37991	0.4
243.08357	3.0
247.13086	0.6
275.20151	0.5
301.09140	0.5
303.15775	0.7
333.20407	2.6
389.23233	0.5
423.20120	0.7
465.20850	9.6
465.26764	0.8
477.18134	0.5
481.20523	2.0
535.29108	1.3
551.28381	4.8
613.37640	0.4
647.34149	0.8
775.42352	100.0
776.42639	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	775.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
55.05499	3.7
57.03428	2.3
61.02920	5.4
67.05497	10.0
69.03434	2.9
69.07063	3.2
69.72900	2.3
71.04989	1.3
73.02916	3.3
79.05482	8.5
79.77369	0.7
81.03416	3.3
81.07047	9.7
83.04990	2.0
83.08613	1.1
85.02893	6.3
85.12415	0.8
91.03948	2.9
91.05465	8.4
93.07043	5.9
95.04933	3.7
95.08592	4.6
97.02869	4.9
99.04467	1.0
101.02379	1.6
105.07024	5.9
107.04983	1.6
107.08569	3.5
109.02921	0.9
109.06529	3.1
109.10159	1.3
113.09642	0.8
117.07037	1.1
119.08546	4.7
121.06525	1.3
121.10162	1.0
123.08120	0.8
127.03934	1.1
129.07014	1.8
131.08597	1.5
133.10146	3.4
135.11758	1.8
137.09619	0.7
143.08583	1.4
145.10191	2.8
147.11736	2.3
149.09657	1.0
157.10054	0.9
159.11760	0.9
161.13408	1.3
163.11259	1.1
171.11729	1.8
178.34184	0.7
227.87688	0.7
243.08359	4.1
247.13095	1.7
273.18527	0.9
275.20081	0.9
283.15475	0.8
333.20474	1.6
372.68237	0.8
439.19702	1.1
461.92383	0.9
465.20901	10.3
465.26990	0.9
551.28223	5.4
775.42297	100.0
776.42688	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53239	0.8
55.01864	2.2
55.05511	4.7
55.64757	0.7
57.03435	2.7
61.02917	4.8
65.03934	0.8
67.05501	8.5
69.03428	3.3
69.07064	4.2
71.04978	0.9
73.02906	3.8
79.05481	9.1
81.03408	4.0
81.07047	10.7
83.05014	2.3
83.08624	3.5
85.02903	4.5
91.03981	2.8
91.05475	9.7
93.07025	8.5
93.07499	0.8
95.04950	4.3
95.08604	5.6
97.02908	3.5
97.06545	2.1
97.10146	1.2
97.92739	0.7
99.04467	1.3
101.02393	1.7
105.07011	5.6
107.04971	1.9
107.08588	4.3
109.02873	0.9
109.06522	1.5
109.10144	4.1
111.04456	1.3
111.08051	0.8
113.09594	0.9
117.07016	1.3
119.08549	5.2
121.06472	0.8
121.10194	2.5
123.08112	1.0
125.09716	0.9
127.03972	1.5
129.07031	1.5
130.05327	0.7
131.08583	2.2
133.10172	3.1
135.08133	0.9
135.11729	1.6
143.08591	1.8
145.10162	1.9
147.08023	0.8
147.11737	3.3
149.09648	1.3
151.11183	0.9
159.11685	1.3
161.09575	0.9
161.13318	1.6
163.11229	3.0
165.12817	1.0
171.11723	1.6
189.59160	0.9
194.98695	0.8
223.13353	1.0
243.08412	3.7
247.13109	0.8
258.74692	0.9
275.20166	2.1
277.21863	1.2
278.03809	0.9
293.21255	1.1
309.73260	0.9
333.20737	1.5
465.20847	10.3
466.21490	0.9
503.33554	0.9
549.26447	1.0
551.27966	4.4
641.44153	0.9
775.42023	100.0
776.42102	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	776.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.0
55.05511	11.0
57.03431	12.4
59.04995	1.9
61.02921	4.4
64.68686	1.1
65.03931	3.4
67.05500	22.0
69.03426	5.8
69.07059	7.6
71.04974	3.7
73.02905	2.4
79.05489	43.7
80.05801	1.2
81.03432	7.5
81.07053	21.7
83.01348	5.5
83.04976	4.2
83.08606	6.1
85.02894	4.8
91.03945	3.0
91.05473	56.3
92.05793	1.6
93.07038	31.3
94.07366	1.2
95.04958	13.6
95.08611	8.8
97.02876	4.0
97.06535	3.2
97.10172	3.3
98.22624	2.9
99.04466	1.6
101.02401	1.4
103.05448	1.9
105.04508	2.0
105.07027	12.7
107.04940	12.1
107.08586	29.2
109.02846	2.0
109.06511	5.0
109.10152	8.7
111.04440	2.4
111.08060	2.3
115.05437	6.8
117.07008	42.6
118.07349	1.5
118.97492	1.0
119.06083	1.5
119.08593	12.0
121.06501	4.5
121.10133	3.9
123.08048	4.9
125.09614	3.1
127.03965	2.5
129.05499	1.0
129.06976	2.2
130.98969	1.4
131.08551	4.8
133.06477	2.6
133.10101	7.2
135.08043	55.4
135.11684	3.1
137.05994	2.1
137.09595	7.2
141.01013	1.3
143.08525	2.8
145.06477	4.2
145.10095	4.3
147.08000	2.4
147.11699	3.5
149.09592	3.3
151.11200	1.6
153.09071	2.4
157.10114	1.6
159.08020	1.9
159.11627	2.1
161.09589	3.7
163.07536	10.9
163.11157	3.9
171.05707	3.9
171.10188	1.3
171.11562	2.0
175.11160	1.7
181.08595	2.1
185.13301	1.4
199.05225	2.4
199.09612	2.5
210.08055	1.6
225.16391	1.4
255.12257	100.0
256.12616	3.2
271.16922	3.0
275.19995	2.8
279.15002	3.0
289.17947	7.2
291.19540	2.1
349.23749	1.4
399.19312	68.1
400.19534	3.5
418.18289	1.4
467.19214	1.5
489.07083	1.2
503.33310	2.6
511.70688	1.0
514.19928	1.2
529.34674	2.4
579.27148	65.4
580.27240	3.7
775.38489	1.6
776.38770	33.4
777.39764	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	776.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.0
55.05511	11.0
57.03431	12.4
59.04995	1.9
61.02921	4.4
64.68686	1.1
65.03931	3.4
67.05500	22.0
69.03426	5.8
69.07059	7.6
71.04974	3.7
73.02905	2.4
79.05489	43.7
80.05801	1.2
81.03432	7.5
81.07053	21.7
83.01348	5.5
83.04976	4.2
83.08606	6.1
85.02894	4.8
91.03945	3.0
91.05473	56.3
92.05793	1.6
93.07038	31.3
94.07366	1.2
95.04958	13.6
95.08611	8.8
97.02876	4.0
97.06535	3.2
97.10172	3.3
98.22624	2.9
99.04466	1.6
101.02401	1.4
103.05448	1.9
105.04508	2.0
105.07027	12.7
107.04940	12.1
107.08586	29.2
109.02846	2.0
109.06511	5.0
109.10152	8.7
111.04440	2.4
111.08060	2.3
115.05437	6.8
117.07008	42.6
118.07349	1.5
118.97492	1.0
119.06083	1.5
119.08593	12.0
121.06501	4.5
121.10133	3.9
123.08048	4.9
125.09614	3.1
127.03965	2.5
129.05499	1.0
129.06976	2.2
130.98969	1.4
131.08551	4.8
133.06477	2.6
133.10101	7.2
135.08043	55.4
135.11684	3.1
137.05994	2.1
137.09595	7.2
141.01013	1.3
143.08525	2.8
145.06477	4.2
145.10095	4.3
147.08000	2.4
147.11699	3.5
149.09592	3.3
151.11200	1.6
153.09071	2.4
157.10114	1.6
159.08020	1.9
159.11627	2.1
161.09589	3.7
163.07536	10.9
163.11157	3.9
171.05707	3.9
171.10188	1.3
171.11562	2.0
175.11160	1.7
181.08595	2.1
185.13301	1.4
199.05225	2.4
199.09612	2.5
210.08055	1.6
225.16391	1.4
255.12257	100.0
256.12616	3.2
271.16922	3.0
275.19995	2.8
279.15002	3.0
289.17947	7.2
291.19540	2.1
349.23749	1.4
399.19312	68.1
400.19534	3.5
418.18289	1.4
467.19214	1.5
489.07083	1.2
503.33310	2.6
511.70688	1.0
514.19928	1.2
529.34674	2.4
579.27148	65.4
580.27240	3.7
775.38489	1.6
776.38770	33.4
777.39764	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	776.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	22.9
55.05501	30.5
57.03428	14.2
59.04985	3.2
61.02904	5.5
62.65096	1.6
65.03929	4.3
67.05493	45.4
69.03424	9.4
69.07059	37.8
69.11494	8.4
69.11906	3.9
71.01344	2.2
71.04977	6.5
73.02898	4.1
77.03949	1.8
79.05481	86.6
81.03403	16.4
81.07045	100.0
83.04964	12.2
83.08594	14.0
85.02885	13.4
85.06516	3.9
85.28415	2.0
87.04468	2.1
91.03921	2.0
91.05465	61.8
92.05798	2.2
93.07029	46.6
95.04957	25.1
95.08587	27.8
97.02854	9.2
97.06526	18.3
97.10151	14.9
99.00807	22.0
99.04438	4.0
99.08091	3.4
103.05463	3.8
105.03358	2.7
105.04521	3.2
105.07014	98.8
107.04939	19.1
107.08575	47.2
108.53627	1.7
109.02868	7.6
109.06505	22.0
109.10147	18.2
111.04408	11.1
111.08057	8.1
112.07570	5.1
115.03893	3.4
115.05458	4.2
115.07578	2.4
117.07014	20.5
119.04929	4.2
119.08556	41.3
121.06482	15.3
121.10115	14.7
123.04383	1.7
123.08045	33.1
123.11675	3.6
125.05966	8.4
125.09611	31.3
127.03869	3.4
128.06187	3.7
129.05472	2.2
129.06969	14.6
131.08553	20.5
133.06465	35.2
133.10118	39.8
135.04356	2.0
135.08034	19.6
135.11681	7.9
137.05927	2.9
137.09599	14.8
139.07520	6.4
139.11136	2.9
140.07068	2.8
143.07005	13.0
143.08553	11.9
145.06461	2.9
145.10118	13.0
147.08040	19.1
147.11674	10.2
149.09612	13.5
151.07523	31.7
151.11150	7.7
153.09084	23.6
156.74931	1.8
157.10068	11.2
159.07965	2.2
159.11661	7.2
161.08229	4.1
161.09579	30.9
163.07468	2.6
163.11172	12.2
165.09090	21.3
166.00734	1.7
167.08546	1.8
169.10068	2.8
171.07950	2.9
171.11707	4.3
173.11841	2.4
173.13231	4.9
175.11191	5.3
177.09073	4.1
177.12811	1.7
179.10645	8.3
181.08542	7.8
181.12245	3.1
183.11668	1.9
185.09576	3.1
186.34372	1.9
187.11172	2.2
189.09093	7.4
189.11177	7.5
189.16345	3.6
191.10597	5.2
193.12128	3.0
199.09586	11.3
199.14783	11.3
201.16354	2.4
203.14310	2.9
207.10080	2.9
209.13307	2.5
211.13185	1.9
215.09074	3.4
217.15825	19.2
219.17403	3.5
223.13190	2.2
225.11214	10.3
227.12596	13.3
235.17029	2.3
243.12355	2.6
245.15338	57.2
246.15800	2.7
255.12199	3.9
263.16373	46.2
267.15741	2.0
271.11728	74.7
273.18460	23.8
281.13733	5.1
281.17398	5.8
283.15338	3.8
291.19504	44.3
299.14828	72.5
300.15033	3.0
309.20508	6.2
319.18912	14.0
337.19995	29.8
344.69452	1.6
347.22198	6.7
355.21118	22.2
365.23254	19.4
383.24219	8.2
399.32626	1.9
413.17603	3.3
441.21078	6.1
479.22925	2.2
501.22662	3.9
543.29358	14.5
561.30469	76.2
562.30493	6.6
579.31500	51.9
580.31744	4.1
581.39313	2.0
617.61700	1.8
629.72333	2.0
673.33954	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	776.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	31.5
55.05502	29.0
56.49065	1.9
57.03428	25.8
57.07066	2.3
59.04992	2.1
61.02916	7.2
63.31991	1.8
65.03924	4.2
67.05492	61.7
69.03422	10.6
69.07058	42.1
70.96258	1.7
71.01350	6.8
71.04989	7.1
71.08643	2.0
73.02905	6.3
77.03924	2.6
79.05478	93.9
81.03404	30.0
81.07041	81.1
82.21198	1.7
83.01330	11.4
83.04962	17.4
83.08600	16.8
85.02898	10.2
85.06531	4.3
86.99874	1.5
87.04472	2.0
91.05466	100.0
93.06432	4.0
93.07026	70.6
95.01317	2.8
95.04959	32.8
95.08591	25.1
96.05744	3.6
97.02872	31.0
97.06510	17.3
97.10162	11.8
99.04471	3.8
99.08092	3.2
101.13995	1.6
103.05458	2.8
105.03387	2.3
105.04509	3.0
105.07018	30.5
107.04945	23.1
107.08577	53.9
109.02858	5.9
109.06496	28.1
109.10145	24.3
111.04428	7.7
111.08089	7.1
115.05424	10.0
115.07621	1.9
115.88762	1.8
116.04685	3.2
117.07002	68.5
119.04925	2.0
119.08560	31.0
121.06471	12.7
121.10110	14.5
122.20286	2.3
123.04420	6.5
123.08054	14.0
125.05989	3.6
125.09612	15.5
127.03919	1.9
127.07498	4.1
128.06204	2.0
129.05441	22.9
129.07007	7.2
130.07875	1.7
131.08549	10.8
133.06465	5.8
133.10121	12.2
133.21799	1.9
135.04414	2.5
135.08031	74.5
135.11644	11.8
136.08842	4.1
137.06018	2.1
137.09590	25.2
138.10382	2.7
139.07556	3.2
140.50243	1.7
143.07036	13.3
143.08521	4.8
145.06471	6.2
145.10092	20.7
147.08023	17.2
147.11705	6.4
149.05984	2.2
149.09630	7.1
151.07552	4.4
151.11169	2.8
153.09094	18.8
153.12700	2.7
155.08574	2.1
155.10657	2.6
157.08752	3.5
157.10141	6.2
159.08076	5.2
159.11682	3.8
161.08282	1.5
161.09601	8.9
163.07498	13.1
163.11160	20.5
165.09091	8.5
169.10091	2.2
171.10237	3.8
173.09604	4.5
173.11736	4.0
173.13214	2.5
175.11139	4.1
177.09074	3.1
177.12646	1.8
179.69009	1.9
181.08553	6.4
181.10077	2.0
181.12163	3.7
181.32558	1.5
189.11206	5.5
189.12735	2.3
191.10672	6.0
193.08752	2.2
193.12262	5.3
195.09966	1.7
197.81323	2.0
199.09584	9.6
199.13284	2.7
200.14160	1.7
201.11232	5.9
203.14244	1.8
206.91574	1.6
209.11726	6.0
211.09569	4.2
215.14301	3.8
217.15891	3.3
221.11685	2.5
223.13342	1.9
227.12672	10.2
229.14330	6.6
233.15392	2.4
239.12698	2.8
245.15347	21.6
245.19115	2.5
253.14246	2.4
255.12218	70.3
256.12720	2.6
261.14838	3.9
261.18414	1.9
263.16422	3.0
271.15207	2.4
273.18381	12.1
283.12134	2.8
283.15332	48.7
284.15643	2.3
289.17899	4.1
291.19424	10.6
295.15228	1.9
299.14575	2.1
307.79941	1.9
309.13156	3.2
319.19095	5.4
335.18695	3.4
337.16440	3.2
337.20163	9.6
347.22192	5.1
353.19434	2.4
363.21429	2.1
365.23120	12.0
371.20596	20.7
371.24799	3.4
381.22766	5.5
399.23709	15.7
409.22095	21.3
449.25446	9.8
493.24457	10.1
527.29871	11.7
529.31238	2.6
544.30115	2.4
545.30933	38.0
546.31519	2.7
561.30450	7.9
579.31519	62.7
580.31738	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	776.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	21.0
55.05502	41.3
57.03429	22.9
57.07077	4.3
58.59343	1.9
59.04976	2.1
59.07649	2.1
61.02913	7.3
63.64108	2.1
65.03934	6.2
67.05494	100.0
69.03414	11.2
69.07056	40.8
69.77695	4.1
69.78014	4.3
71.01335	7.0
71.04980	12.3
73.02893	4.2
77.03897	2.4
79.05480	90.6
81.03394	28.7
81.07044	79.0
82.03732	2.1
82.07410	2.3
83.04961	26.6
83.08598	16.9
85.02885	13.8
85.06534	4.2
91.03963	4.2
91.05465	59.1
92.05811	3.7
93.07030	79.2
93.08284	2.4
95.04959	35.7
95.08597	29.0
97.02885	22.7
97.06524	26.8
97.10152	19.6
98.07382	2.1
98.22711	2.1
99.04449	4.3
99.08091	4.6
103.05466	4.1
105.04531	4.2
105.07000	30.8
106.07330	2.1
107.04955	17.4
107.08582	51.7
109.02845	3.1
109.06497	23.7
109.10142	32.0
111.04434	4.5
111.08073	7.5
116.04740	3.2
117.07004	19.2
118.07330	2.9
119.08566	38.1
121.06477	8.5
121.10118	23.0
123.04426	5.0
123.08060	9.0
125.09576	15.0
127.07516	2.4
129.05492	9.6
129.07002	8.0
131.08548	13.4
133.06483	4.5
133.10086	17.8
135.04443	2.3
135.08046	17.2
135.11673	62.6
136.08871	2.4
137.05975	2.5
137.09605	23.7
142.07739	2.0
143.08548	5.4
145.06500	3.1
145.10112	20.5
147.08025	10.0
147.11681	11.8
149.09602	8.7
151.11172	6.5
153.09071	7.7
153.12740	5.1
155.08543	3.3
155.10640	3.0
157.08707	5.0
157.10126	9.5
159.08064	3.5
159.11639	4.0
161.09636	9.4
163.07576	6.2
163.11145	19.0
165.09116	7.2
165.12834	2.3
169.10095	2.3
171.11636	3.0
173.09680	2.4
173.11729	7.4
173.13203	2.4
175.11172	4.2
177.12685	3.7
181.12204	17.4
183.11780	2.4
185.13336	2.9
189.11221	6.8
191.10608	4.0
193.12186	15.4
199.13228	5.6
211.13272	6.3
227.12738	8.9
229.14331	8.6
239.12761	4.6
241.14346	4.2
247.17052	2.4
249.10823	4.7
253.14348	7.3
255.15848	67.0
256.16312	3.6
261.18558	2.7
265.14551	2.7
267.15897	6.7
268.16263	2.8
273.18524	16.9
275.19992	5.3
283.15390	4.6
285.16776	3.5
289.17920	7.7
291.19391	11.0
307.18890	2.6
309.17044	2.9
309.20578	3.1
321.20593	5.1
331.18753	2.7
337.19971	3.0
339.21548	5.8
347.22003	6.4
363.21701	4.0
364.22348	3.3
365.23129	9.9
381.22830	4.1
399.23608	15.4
409.25830	30.3
432.58527	2.6
449.28784	6.7
467.19293	2.3
468.18552	2.5
481.29773	3.1
493.27689	8.9
511.30533	2.7
527.33917	10.6
529.31525	9.6
543.32440	3.6
545.26978	3.7
545.34674	36.5
547.32495	4.9
549.26495	4.0
561.34705	9.9
579.35138	73.1
580.35297	5.9
602.58282	2.5
628.19293	3.3
776.38947	51.7
777.39954	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	776.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	13.7
55.05504	24.5
57.03424	9.4
57.05616	1.6
61.02923	2.1
65.03921	2.5
67.05495	56.9
67.05858	3.2
69.03419	6.8
69.07064	20.5
69.67236	1.7
69.71536	5.9
71.04984	8.0
74.81783	2.2
79.05479	40.6
81.03394	11.3
81.07043	80.3
83.04958	14.2
83.08613	11.6
83.44096	1.7
85.02900	5.0
85.06538	5.5
91.05463	45.7
93.07031	37.4
95.04958	18.7
95.08592	16.8
97.02886	2.1
97.06530	7.3
97.10159	17.7
98.22697	2.2
99.04463	3.8
99.08065	2.1
105.07008	44.7
107.04922	9.0
107.08576	40.4
109.06490	11.4
109.10137	51.1
111.04434	11.6
111.08092	5.9
113.05927	2.7
115.07563	2.1
117.07011	9.0
119.08559	21.2
121.06487	6.4
121.10117	11.1
123.08043	15.1
123.11682	9.5
125.09610	12.8
127.07579	2.9
128.06232	2.4
129.05586	1.9
129.07002	5.9
131.08530	9.3
133.06491	4.6
133.10106	68.9
135.08017	10.4
135.11667	6.6
137.09601	5.1
143.08534	6.4
145.06468	3.4
145.10103	12.3
147.08049	12.0
147.11710	3.6
149.09622	6.6
149.13284	1.7
151.11163	28.8
153.12743	3.7
157.10123	3.4
159.08002	2.3
159.11702	4.6
161.09567	9.9
163.11168	13.5
165.09158	5.0
169.12206	6.2
171.11678	3.2
173.09650	2.8
175.11206	4.0
177.12735	2.0
179.10617	3.4
181.12222	5.5
187.11345	2.0
189.11189	10.6
189.12613	1.9
191.10686	3.9
193.12263	4.1
197.11719	2.5
215.12711	5.1
223.13197	4.2
227.12846	11.3
245.19020	3.9
253.14301	100.0
254.14571	3.1
255.17349	4.5
271.15338	47.3
273.18488	27.9
274.18759	2.2
283.15298	2.4
291.19501	68.2
304.16034	1.7
309.20419	10.3
309.23679	1.8
347.22345	9.8
365.23190	22.9
381.22580	3.9
383.24258	15.8
423.23801	3.8
440.27780	1.8
479.26154	2.4
535.32166	2.0
543.33228	25.2
561.34204	58.6
562.34326	5.4
579.35205	35.0
600.79791	1.9
776.38208	2.4
777.40021	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.05507	43.5
57.03427	13.9
57.07069	2.5
59.04991	3.4
61.02911	4.1
65.03926	3.9
67.05495	100.0
69.03417	5.1
69.07058	17.5
69.64307	2.7
69.64698	2.7
71.01345	1.4
71.04981	4.2
73.02870	1.3
74.52865	1.1
79.05484	49.4
80.05814	2.0
81.03408	8.1
81.07048	61.8
82.07376	1.8
83.04984	6.6
83.08606	18.3
85.02898	14.0
85.06523	3.2
87.04459	6.4
91.03897	1.6
91.05469	28.4
93.07033	42.5
95.04963	9.9
95.08595	39.2
95.09216	2.2
97.02875	4.0
97.06519	5.4
97.10158	22.9
98.23380	2.1
99.04417	1.5
99.08096	1.8
105.04485	2.7
105.07008	17.3
107.04956	2.8
107.08585	30.0
109.06500	3.5
109.10140	51.2
111.08066	3.2
117.07022	7.5
119.08572	16.9
121.06480	1.3
121.10129	20.2
123.08057	3.5
123.11709	5.6
125.09615	18.8
129.06953	1.6
131.08531	11.6
133.10123	11.1
135.11685	14.9
136.11989	1.4
137.09572	2.5
137.13283	1.3
139.11224	2.0
143.08540	2.6
143.10623	2.8
145.10075	11.6
147.11646	8.4
149.09581	2.2
149.13229	5.3
153.12755	2.7
155.10658	3.0
157.10036	1.8
159.10255	1.3
159.11693	4.7
161.13232	5.7
163.11186	5.8
163.14763	2.8
173.09702	1.5
173.10187	1.6
173.11711	14.4
173.13242	6.7
175.14803	1.8
177.16429	1.5
181.12215	2.4
185.13286	1.6
187.14880	2.4
189.11166	1.7
191.10625	1.5
193.12257	1.9
198.99532	1.3
199.13272	9.5
199.14919	2.3
209.11697	3.6
217.14348	2.0
227.12759	6.4
229.14325	40.5
243.21092	2.9
245.13774	2.4
257.13708	1.5
259.20609	2.7
261.22131	13.9
267.15799	3.0
277.22003	1.5
283.15378	1.7
289.21457	1.7
299.14935	2.6
300.15140	2.2
301.16351	16.0
307.22470	1.3
317.24554	2.5
319.17471	1.4
327.22501	1.2
333.24289	1.5
335.25748	69.3
336.26093	4.8
337.26846	1.4
363.25204	1.8
387.96365	1.3
459.34579	2.0
477.35773	8.7
489.35675	10.2
543.36621	4.0
561.37610	8.7
614.05475	1.3
624.18854	1.3
753.98596	1.6
776.40533	3.7
777.41547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
55.05511	1.9
56.83497	0.5
57.03432	2.2
61.02921	3.8
66.78990	0.5
67.05506	3.3
69.03420	2.5
69.07066	1.5
69.60374	1.0
69.60738	1.8
71.01358	0.6
71.04996	0.8
73.02912	2.7
78.80698	0.4
79.05482	5.3
81.03412	4.6
81.07047	9.7
81.07495	0.7
83.04983	1.6
83.08624	1.6
85.02893	6.5
91.03939	2.7
91.05469	4.2
93.07040	2.7
95.04948	2.4
95.08620	2.2
97.02881	4.0
97.06564	0.5
97.10162	0.7
99.04452	0.6
101.02350	1.1
104.74783	0.6
105.03416	0.7
105.07024	3.6
107.04958	1.2
107.08610	1.6
109.02882	0.8
109.06509	2.9
109.10181	1.3
111.04446	1.6
111.08111	1.2
117.07024	0.7
119.08562	3.4
121.06512	0.7
121.10162	2.3
123.08061	1.3
127.03977	1.0
129.06979	0.7
131.08575	1.8
133.10144	1.6
135.08046	1.0
135.11716	1.2
137.09624	0.7
145.10132	1.2
147.08127	1.0
147.11696	1.4
149.09592	0.9
154.82381	0.5
157.10155	1.3
163.11220	1.4
171.30305	0.6
175.11195	1.2
193.12305	1.2
243.08308	2.8
251.12476	0.6
309.97055	0.4
331.18738	2.8
379.06744	0.5
387.21335	1.1
430.39893	0.6
469.20258	6.5
513.32001	0.7
531.33661	1.1
549.26715	6.4
777.40167	100.0
778.40387	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	777.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05505	1.9
57.03425	1.5
61.02914	4.4
65.03933	0.4
67.05500	4.1
69.03425	3.5
69.07056	2.8
71.01384	0.4
71.04976	0.7
73.02909	3.4
79.05472	4.2
79.05795	0.3
81.03395	2.6
81.07044	7.7
81.30019	0.5
83.04976	1.3
83.08612	1.8
85.02885	4.5
91.03934	2.3
91.05463	3.4
93.07024	3.7
95.04962	1.1
95.08585	2.7
97.02864	4.1
97.06545	1.0
99.04446	0.7
99.08041	0.6
101.02365	1.7
105.07003	2.6
107.04967	1.3
107.08570	2.2
109.02876	0.6
109.06508	1.4
109.10168	1.3
112.05190	0.4
115.03950	0.5
117.07011	0.9
119.08542	2.7
121.10133	1.9
123.08022	0.8
123.11716	0.9
127.03960	1.4
129.06969	0.6
131.08554	1.7
133.10123	1.5
135.11710	1.5
145.10065	2.4
147.11688	1.7
149.09578	0.7
157.10101	0.6
159.11632	0.7
163.11139	2.5
185.04219	0.7
216.47002	0.4
227.12849	0.5
228.99007	0.4
243.08392	3.1
249.10994	1.3
253.14346	0.6
270.84076	0.4
275.20053	0.5
283.15369	0.5
301.09201	0.6
315.10733	0.5
333.20490	2.8
389.23227	0.6
467.18732	7.2
551.28180	8.4
597.32312	0.6
777.40076	100.0
778.40363	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	777.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05503	2.2
57.03434	1.9
59.05011	0.5
60.63039	0.4
61.02919	4.9
67.05498	3.9
69.03426	2.9
69.07065	1.3
71.05007	0.5
73.02558	0.7
73.02903	3.4
79.05486	4.9
81.03414	2.9
81.03815	0.5
81.07047	3.8
83.04984	1.6
83.08618	1.4
85.02897	4.8
90.16013	0.4
91.03941	2.4
91.05463	3.5
93.07029	4.0
95.04978	1.4
95.08608	2.0
97.02885	4.2
97.06542	1.1
97.10178	0.7
99.04440	0.8
101.02400	1.5
105.07016	2.9
107.04966	1.6
107.08559	2.7
109.02864	1.1
109.06508	1.0
109.10157	0.9
112.44964	0.4
116.86623	0.5
117.07018	1.0
119.08549	2.2
121.10182	1.5
123.08085	1.5
125.09631	0.5
127.03961	2.0
129.06984	0.5
130.93156	0.5
131.08565	1.3
133.10144	1.0
135.11687	2.5
137.09653	0.8
145.10187	2.7
149.09607	1.1
151.11200	0.6
163.11197	3.3
173.09618	0.4
185.04291	0.7
189.29062	0.5
204.99666	0.4
209.11835	0.6
243.08371	2.6
275.19907	0.4
283.15323	2.7
284.15750	0.9
333.20361	3.5
371.16275	0.9
372.16449	0.8
373.15900	0.7
384.56161	0.5
389.23001	0.8
444.34888	0.6
467.18848	8.8
533.26831	0.6
551.28290	4.6
552.28937	0.5
579.27466	0.5
580.27576	2.0
777.40149	100.0
778.40338	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	777.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47368	0.3
55.01882	0.8
55.05509	2.7
55.50613	0.3
57.03423	2.0
61.02921	4.0
67.05492	3.0
69.03425	2.5
69.07069	1.3
70.21942	0.4
70.22276	0.7
71.04989	1.1
73.02904	3.5
73.03227	0.3
79.05487	3.3
81.03403	2.0
81.07046	3.2
83.01328	0.7
83.04981	1.5
83.08608	2.1
85.02891	4.6
91.03940	2.5
91.05478	2.1
93.07018	3.5
93.07506	0.4
95.04962	2.2
95.08624	1.4
97.02895	3.9
97.06522	0.5
99.04472	1.0
99.74435	0.3
101.02375	1.6
103.03933	0.3
105.06998	2.0
107.04946	0.9
107.08577	2.8
109.02872	0.5
109.06490	0.7
109.10161	0.7
111.04440	1.5
111.08079	0.6
115.05521	0.4
117.07037	1.4
118.96761	0.3
119.08575	1.8
121.06533	0.4
121.10110	1.8
123.08094	1.2
125.05994	0.3
125.09641	0.5
127.03925	1.5
129.07027	0.4
131.08586	0.5
133.10109	0.6
135.08093	0.5
135.11670	1.8
137.09639	0.4
145.10072	1.7
147.08086	0.6
147.11699	0.3
149.09628	0.9
153.12834	0.5
159.11739	0.4
163.11139	2.9
185.04272	0.4
193.12257	0.4
209.11763	0.5
243.08331	2.9
249.10840	0.5
275.20224	0.5
283.15497	0.7
317.07077	0.4
333.20361	1.9
389.22906	0.6
467.18851	8.5
551.28168	6.3
552.28485	0.5
615.34827	0.4
777.40125	100.0
778.40515	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	777.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48930	0.4
55.01870	0.9
55.05498	2.4
57.03439	2.6
60.34971	0.4
61.02913	4.7
63.88837	0.4
65.03950	0.5
67.05497	5.5
69.03422	3.4
69.07064	2.0
71.04986	1.0
73.02895	3.7
79.05486	4.2
81.03402	3.7
81.07045	5.8
83.01332	0.6
83.04959	1.4
83.08626	1.5
85.02885	4.9
85.06514	0.6
91.03933	2.3
91.05453	4.8
93.07031	4.2
95.04939	2.3
95.08566	2.4
96.08884	0.5
97.02872	5.0
97.06520	0.5
98.22604	0.9
99.04448	1.1
101.02372	1.5
105.07022	2.2
106.07423	0.4
107.04956	1.5
107.08585	2.6
109.02886	0.8
109.06531	1.2
109.10147	1.2
111.08042	0.7
115.03922	0.5
117.07005	1.1
119.08566	2.8
121.06529	0.6
121.10159	1.1
123.08057	1.0
125.09641	0.5
127.03889	0.9
129.07031	0.7
131.08578	1.0
133.10141	1.2
135.08015	0.5
135.11685	1.5
145.10083	2.1
147.11711	1.0
149.02377	0.4
149.09569	0.6
159.11728	0.5
163.11197	1.8
165.12837	0.5
175.11115	0.7
183.30772	0.4
193.12309	0.5
209.11710	0.5
227.12799	0.5
243.08365	3.4
249.11034	1.4
253.14494	0.8
267.15991	0.5
285.17181	0.6
296.95657	0.4
331.18875	0.4
333.20398	1.4
467.18863	7.6
469.20663	1.4
506.61633	0.5
551.28235	5.0
562.38055	0.8
745.74359	0.5
777.40112	100.0
778.40546	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	777.438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05487	1.0
57.03419	2.6
58.57829	0.8
61.02913	4.0
64.26836	0.7
67.05493	5.0
69.03406	2.6
69.07060	1.6
69.07893	3.4
69.08305	2.0
73.02903	3.3
78.06181	1.0
79.05484	6.6
79.76596	1.0
81.03410	3.4
81.07050	8.5
83.04976	1.2
83.08606	0.7
85.02885	4.2
91.03953	2.1
91.05475	3.1
92.03957	0.7
93.07030	5.8
95.04932	1.9
95.08636	4.1
97.02879	3.3
97.06507	1.2
101.02365	1.7
105.07000	1.8
107.04969	1.0
107.08585	2.7
109.06519	2.7
109.10148	1.7
111.04413	1.0
117.07034	1.2
119.08570	2.6
121.06506	1.3
121.10130	2.9
123.08025	0.9
125.09605	0.7
127.03905	1.5
131.08586	1.6
133.10077	1.5
135.11719	1.3
145.10138	2.5
147.08022	0.8
154.49689	0.9
163.11165	2.6
173.09586	0.8
203.47574	0.8
243.08363	1.6
273.18585	1.6
281.13501	3.9
283.55508	0.8
291.19522	5.2
307.22467	4.1
335.58719	0.8
337.16367	1.1
365.23309	1.2
499.21371	7.6
519.29144	4.1
597.41431	2.5
704.74414	0.8
719.43524	1.2
777.43732	100.0
778.44250	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	777.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
55.05508	15.6
57.03434	7.7
57.07056	1.3
59.05010	1.0
61.02917	5.1
65.03940	4.1
66.04704	1.0
67.05495	40.8
69.03429	4.6
69.07056	6.9
71.04977	3.0
73.02915	3.1
77.03935	1.2
79.05481	58.7
81.03415	4.8
81.07045	100.0
82.07394	2.2
83.04967	7.3
83.08599	7.7
85.02895	8.7
85.06532	2.3
91.03960	1.2
91.05471	22.9
93.07030	39.2
95.04961	15.9
95.08591	20.0
97.02909	3.7
97.06506	4.2
97.10146	4.6
98.22602	2.0
99.04478	2.8
99.08103	1.5
101.02368	1.6
103.05521	1.5
105.04540	2.8
105.07007	16.5
105.07627	1.3
107.04951	5.6
107.08586	14.6
109.02879	1.2
109.06504	44.8
109.10146	8.7
110.06840	1.3
111.04444	8.7
111.08100	2.5
115.05439	2.1
117.06995	12.2
117.07649	0.9
119.04996	1.3
119.08563	18.8
121.06490	6.0
121.10128	15.8
121.10957	1.5
123.08041	6.0
123.11678	2.2
125.09632	5.0
129.07014	2.9
131.08556	10.5
133.06505	1.8
133.10120	7.4
135.08025	5.3
135.11697	6.9
137.09628	2.2
141.07068	1.2
143.08572	2.8
145.06503	1.2
145.10092	12.0
145.11012	0.9
147.08035	10.2
147.11684	3.3
149.09644	3.7
149.13255	1.4
151.11176	1.1
153.12755	1.3
155.08568	0.9
157.06453	1.2
157.10156	4.0
159.08066	1.6
159.11664	4.6
161.09578	8.1
161.13237	1.2
163.11156	6.6
165.09167	3.0
171.11719	2.1
173.09697	2.0
173.13179	1.5
181.12282	3.0
185.13197	1.5
189.11224	2.2
189.12877	1.2
191.10751	2.1
199.11237	1.2
215.17938	2.2
223.13362	3.0
227.12881	1.6
227.18079	1.1
249.14940	3.5
255.17474	2.4
273.18420	20.1
274.18796	1.0
275.50345	0.8
281.13693	3.3
283.15265	1.5
291.19495	71.6
292.19925	3.3
307.22629	52.4
308.22986	1.1
309.20676	1.7
347.22180	8.0
365.23215	13.6
365.44397	1.0
415.28391	1.4
499.21677	3.1
519.29510	4.6
579.40454	7.5
597.41418	36.6
598.41852	3.7
777.43787	61.2
778.44519	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	778.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	18.0
55.05503	19.8
57.03427	13.3
58.60329	2.3
59.26338	2.1
61.02911	8.1
67.05492	34.1
68.66702	2.0
69.03406	9.0
69.07061	20.9
71.04972	6.1
71.43510	3.3
73.02905	4.7
77.03909	3.5
79.05033	4.3
79.05477	56.1
81.03391	20.9
81.07045	66.2
83.01340	8.5
83.04977	14.7
83.08592	14.1
85.02421	2.8
85.02880	13.6
89.27624	1.9
91.03941	3.1
91.05460	51.3
93.07027	55.8
94.07365	2.1
94.55831	2.5
95.04958	20.4
95.08595	19.9
97.02866	10.0
97.06496	7.9
97.10224	2.6
99.04445	5.5
100.51936	2.4
103.05440	4.1
105.07012	31.7
106.07335	2.8
107.04943	14.6
107.08577	23.4
109.02861	4.2
109.06499	16.3
109.10140	9.9
111.04435	3.9
111.08020	4.0
117.01038	3.6
117.03341	3.9
117.06996	27.1
119.08567	42.4
121.06507	12.7
121.10115	12.3
123.08040	13.7
125.05966	2.6
125.09596	3.9
128.06177	3.7
129.06964	17.3
131.04910	3.9
131.08528	18.5
133.06473	5.1
133.10121	11.9
135.08009	25.4
135.11664	9.2
137.09587	6.8
138.43341	2.1
143.08528	16.9
145.02821	6.2
145.06456	2.5
145.10089	22.7
147.08031	18.4
147.11624	5.2
149.05995	2.5
149.09598	10.2
155.08562	3.0
157.10083	9.0
159.07993	2.7
159.11690	2.9
161.09579	9.7
163.11163	20.5
165.09058	2.8
167.08571	2.7
171.11633	3.3
173.09593	3.8
177.05444	13.6
177.09074	3.6
181.12233	4.2
183.05713	3.0
185.13313	3.5
191.10652	5.0
193.12196	2.7
197.07230	6.2
199.14743	9.3
205.23598	2.2
209.11659	6.0
217.15833	6.4
227.12569	5.2
227.14497	3.0
229.14166	2.5
235.12215	2.5
245.15335	22.5
249.10960	2.3
253.13435	14.6
255.12117	11.8
267.15808	4.0
271.15323	3.4
273.18518	3.5
281.12943	8.6
283.15356	100.0
284.15622	3.0
291.19604	3.9
299.14038	3.5
319.19092	4.8
355.16519	19.4
373.17709	39.9
401.21094	3.8
469.20239	3.0
527.29980	9.4
531.33228	2.3
545.30481	10.3
551.28485	2.6
563.27643	33.0
563.35547	4.6
581.28705	51.2
582.06293	3.0
582.29266	3.3
777.39447	6.4
778.40375	71.2
779.41760	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	778.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.0
55.05507	21.4
57.03431	17.1
61.02906	5.0
65.03928	2.9
67.05495	57.6
69.03417	4.3
69.07057	19.5
69.37391	7.2
70.06577	8.5
71.01340	4.9
71.04979	5.4
73.02898	1.6
79.05484	56.8
81.03397	11.6
81.07043	59.5
83.04967	12.3
83.08619	10.7
85.02875	7.6
85.06519	3.9
88.97956	1.5
89.01578	1.5
91.03938	2.0
91.04929	2.8
91.05467	39.2
93.07031	62.3
94.07343	1.8
94.90580	1.3
95.04951	20.7
95.08592	18.1
97.02872	4.6
97.06526	12.3
97.10155	13.3
98.22710	2.8
99.04409	1.8
99.08070	2.3
103.05471	1.6
105.04493	3.3
105.07017	23.0
107.04944	17.0
107.08575	39.9
109.06509	8.8
109.10136	12.6
111.04458	2.2
111.08076	4.3
116.11953	1.2
117.07005	16.5
119.08564	27.8
121.06503	8.5
121.10134	10.5
122.81525	1.3
123.08051	10.4
125.01524	1.6
125.06075	1.5
125.09612	5.1
128.06204	2.1
129.06961	6.3
130.07758	1.7
131.08546	15.0
133.06453	3.9
133.10121	9.6
135.04453	1.8
135.08067	8.4
135.10599	2.3
135.11674	45.7
137.09595	5.6
143.08513	5.9
145.10103	22.4
147.08006	8.5
147.11705	5.5
149.09636	7.7
149.86942	1.7
151.11201	1.8
153.12717	2.5
157.10091	5.8
159.08031	3.2
159.11687	4.4
161.09610	8.8
163.11174	10.7
171.11673	4.5
173.09593	2.1
173.13184	1.7
175.11177	4.7
181.12201	9.4
184.07271	2.0
185.13237	2.7
189.12801	1.5
193.12254	1.4
197.07266	2.9
199.11197	1.5
203.14122	1.6
227.12767	2.7
227.17943	2.5
245.19131	2.6
255.15831	100.0
256.16217	3.7
273.18445	35.6
275.19861	1.9
291.19492	33.2
309.16077	5.6
327.17429	1.7
329.20871	1.8
347.21964	7.8
383.19748	18.8
401.20856	29.0
408.95749	1.4
527.33551	11.4
545.34583	20.9
563.31201	45.0
564.31396	4.3
581.32343	63.3
582.32324	4.5
634.59607	1.7
778.39771	23.3
779.41315	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	778.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	30.7
55.05504	41.7
55.05750	4.9
57.03432	31.1
59.04990	9.4
61.02902	4.7
62.61489	2.5
62.66592	2.5
65.03925	3.8
65.82468	2.5
67.05495	68.3
69.03416	11.9
69.07059	52.2
69.15150	10.2
69.15562	6.4
71.01348	5.6
71.04989	8.7
73.02887	3.3
73.06525	3.2
79.05030	4.8
79.05482	61.9
81.03408	63.9
81.03886	3.1
81.07047	95.7
83.04961	24.7
83.08607	20.0
85.02880	13.1
85.06532	3.1
91.05468	100.0
91.74760	2.6
93.07027	55.3
95.04963	28.9
95.08586	41.0
97.02889	18.4
97.06506	18.9
97.10162	22.1
98.23428	6.3
99.08092	5.8
105.03381	4.8
105.04452	3.7
105.07028	36.9
107.04937	23.0
107.08579	35.7
107.09264	4.1
108.08964	2.4
109.02867	4.8
109.06490	24.0
109.10155	32.1
111.04443	13.2
111.08069	9.3
115.05418	3.1
115.07602	3.4
116.04726	6.1
116.09135	2.6
117.06995	22.0
117.55409	2.6
118.11457	2.7
119.08566	98.0
121.06487	12.5
121.10154	16.0
123.04404	4.8
123.08072	23.4
125.05981	7.9
125.09615	30.6
127.07520	3.3
128.06236	3.8
129.05469	37.1
129.06955	12.3
131.08546	18.3
133.06474	8.3
133.10130	15.2
135.08040	29.5
135.11676	11.9
137.09599	50.5
139.11093	5.1
143.07021	21.7
143.08537	7.2
145.06435	3.6
145.10129	14.0
147.08026	27.7
147.11690	7.4
149.09586	9.7
153.09071	19.1
153.12781	3.2
157.08554	7.0
157.10124	9.9
158.64439	2.8
159.08099	3.6
159.11655	5.6
161.08203	3.2
161.09569	10.3
163.07510	7.3
163.11145	24.0
165.09114	38.3
171.08092	3.0
171.10257	5.5
171.11618	3.4
173.09595	3.9
173.11719	7.4
175.11139	8.4
175.13367	3.4
181.08600	8.7
181.12172	6.9
183.10127	13.5
187.11307	3.0
189.11183	10.5
191.10678	5.2
193.12170	7.7
199.09659	7.7
199.13152	3.7
199.14778	4.4
201.11113	2.9
201.16229	2.7
206.22798	2.8
209.11639	4.6
217.15819	9.4
221.11757	4.4
223.13118	3.7
227.12721	18.0
229.14299	10.5
239.12727	24.4
245.15350	15.4
255.12294	5.4
257.13812	37.0
261.14771	4.1
263.16370	12.0
273.13309	43.3
273.18378	23.7
283.15283	5.9
289.18036	4.1
291.19492	48.2
301.16422	12.1
306.69510	2.4
307.18832	3.3
309.20505	6.7
337.19922	6.4
347.22101	7.3
355.21225	5.8
365.23178	17.6
383.24258	7.6
399.23953	7.2
411.23712	11.3
495.26068	5.4
511.30258	2.8
529.31366	13.5
545.30878	9.3
546.31812	3.6
547.32709	6.4
563.32050	25.6
581.33173	31.8
612.42578	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	778.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08613	3.7
55.01865	14.9
55.05259	4.9
55.05506	52.2
57.03422	15.2
67.05492	57.4
69.03442	7.9
69.07063	37.9
70.09537	6.1
70.09851	4.0
71.04980	11.0
79.05482	68.3
81.03411	88.4
81.07047	67.4
83.04965	15.7
83.08611	70.8
85.02876	6.0
91.05467	82.3
93.07021	53.6
95.04954	68.0
95.08587	32.2
97.02875	8.4
97.06515	12.0
97.10153	7.6
99.04425	9.5
105.03371	4.4
105.07005	47.5
107.04942	17.8
107.08578	51.5
109.06501	12.2
109.10169	21.7
111.04423	4.6
111.08060	17.0
115.05407	4.3
117.07007	30.6
117.63262	3.6
119.08569	40.8
121.06511	7.7
121.10160	26.5
123.08049	11.9
125.09615	10.2
129.06979	15.1
131.08557	37.8
133.06499	8.6
133.10109	25.6
135.08058	24.3
135.11685	7.8
137.09598	16.7
139.11215	3.9
143.08559	5.4
145.10069	21.7
147.08022	8.4
147.11647	13.8
149.09573	34.7
151.11224	5.3
157.10091	10.4
159.11662	11.0
161.09666	6.4
163.11157	17.1
164.44743	4.6
171.11674	6.0
173.13206	8.5
175.11232	11.1
177.09116	7.7
189.11172	4.8
193.12190	18.1
199.13103	5.2
201.16374	17.5
219.17438	35.0
223.13251	7.5
229.15881	6.1
241.14294	9.1
247.16911	52.0
249.14958	6.0
253.14432	5.7
257.18692	3.8
265.17911	21.2
267.15891	100.0
271.12619	5.1
271.15317	29.2
275.20038	16.4
293.21011	9.0
321.20535	23.1
339.21674	35.2
341.21051	5.0
345.64951	4.3
349.23773	8.1
367.24667	5.3
387.21790	4.7
405.22641	21.1
421.27045	5.0
433.25595	7.9
494.55435	4.4
513.31976	28.6
531.33069	89.0
532.33057	6.3
545.34412	13.3
563.35919	28.5
778.39929	14.4
779.38794	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	778.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.7
56.75000	3.5
57.03424	6.6
67.05502	37.5
69.07056	18.2
79.05487	41.0
81.07055	46.0
81.12903	3.6
83.08618	6.1
91.05476	34.7
93.07031	45.0
95.04973	8.5
95.08600	28.2
97.06499	5.2
98.23435	8.8
103.24223	3.4
103.93710	3.8
105.07002	24.1
107.04961	7.4
107.08561	18.0
109.06511	8.9
109.10120	8.5
112.34147	3.6
117.07027	12.9
119.08540	19.5
121.10129	15.5
123.11642	3.9
131.08563	13.4
133.10146	18.4
135.11737	6.8
145.10107	10.5
147.11697	10.3
149.13196	4.2
159.11694	7.7
171.11757	4.0
184.07352	12.0
219.17421	40.4
275.19968	27.5
296.86469	4.1
307.22662	100.0
349.23767	20.3
412.83041	4.3
554.77417	3.9
581.33038	5.0
581.41949	94.4
582.42169	6.2
783.13068	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	779.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.03422	0.5
60.68903	0.3
61.02917	1.5
69.03434	0.3
69.14005	1.0
69.14413	0.9
71.04974	1.0
81.03405	22.3
85.02893	1.2
85.53391	0.3
95.08581	0.4
97.02879	10.4
99.04446	2.0
103.03956	0.4
105.03374	0.3
109.02861	100.0
109.10161	0.4
110.03197	1.2
127.03896	85.2
128.04227	1.1
139.03871	5.2
141.72012	0.3
145.04909	0.3
149.09459	0.3
151.03902	0.3
168.28619	0.3
169.04935	56.4
170.05273	1.2
211.05991	3.7
229.06995	1.2
256.40515	0.3
287.05463	5.3
305.21518	0.3
331.10150	3.6
379.35568	0.3
395.06647	0.4
500.48959	0.3
575.10510	0.3
583.60687	0.3
662.62860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.03433	0.4
61.02914	1.2
69.03418	0.5
70.69792	0.3
71.04979	1.3
81.03404	27.1
82.03741	0.3
83.01327	0.7
85.02903	1.0
89.64212	0.2
97.02877	11.2
99.04440	3.2
100.34301	0.2
103.03938	0.6
109.02861	100.0
110.03194	1.3
121.02853	0.2
121.04924	0.2
127.03894	89.9
128.04228	1.2
139.03886	5.1
140.04187	0.2
145.04926	0.3
151.03882	0.5
153.01794	0.2
169.04933	55.4
170.05247	0.9
181.71767	0.2
187.06041	0.3
211.05977	3.1
212.06096	0.2
218.14691	0.2
229.07065	1.1
287.05453	5.1
331.10172	3.0
332.10577	0.2
395.07639	0.3
557.12402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.1
55.84373	0.1
61.02909	0.5
67.88786	0.1
71.04997	0.3
81.03406	20.2
82.03739	0.2
83.01328	0.2
85.02887	0.4
86.43898	0.1
97.02879	10.6
99.04442	0.9
103.03896	0.2
109.02863	100.0
110.03198	1.6
121.02827	0.2
127.03897	30.1
128.04234	0.5
135.17906	0.1
139.03882	4.4
145.05000	0.2
169.04936	26.3
170.05264	0.6
187.06053	0.2
211.05962	1.8
213.97797	0.1
257.04221	0.2
287.05478	2.6
331.10141	0.5
397.96902	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	779.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.4
67.05507	0.2
68.72952	0.1
69.07050	0.1
70.96175	0.1
71.04983	0.3
79.05506	0.1
81.03403	19.1
81.07053	0.2
82.03752	0.3
83.01330	0.2
85.02899	0.5
96.39565	0.1
97.02879	10.6
98.03233	0.1
99.04441	0.9
103.03915	0.1
105.07053	0.1
109.02861	100.0
110.03192	1.4
113.61174	0.1
127.03894	30.6
128.04225	0.5
139.03876	4.7
169.04932	26.7
170.05267	0.5
195.50363	0.1
211.05975	1.9
229.07054	0.3
253.55954	0.1
287.05457	2.4
288.05823	0.3
295.25003	0.1
322.92947	0.1
331.10205	0.7
349.07184	0.2
406.41116	0.2
501.98172	0.2
546.31067	0.1
611.93390	0.1
755.01068	0.2
779.37866	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	779.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05503	2.5
57.03428	2.0
61.02916	3.9
65.03955	0.4
67.05492	4.0
69.03422	2.8
69.07047	1.4
69.40122	1.3
71.04990	0.9
73.02900	2.6
79.05482	3.2
81.03407	3.4
81.07041	3.7
83.04965	1.4
83.08611	2.1
85.02896	5.0
85.06530	0.3
91.03937	2.3
91.05464	4.2
92.05820	0.4
93.07031	3.4
95.04952	3.3
95.08569	1.8
97.02879	3.5
97.06510	0.7
97.10172	0.4
99.04453	1.2
101.02380	1.8
103.03946	0.4
105.07008	2.8
107.04929	0.9
107.08586	2.1
109.02856	0.5
109.06518	0.8
109.10174	1.0
111.04438	1.5
111.08080	0.9
117.07030	0.7
119.08559	1.9
121.06525	0.6
121.10109	1.9
123.08073	0.8
125.09599	0.5
127.03922	1.0
129.07021	0.8
131.08565	1.4
133.10133	1.4
135.11659	0.7
137.09596	0.4
139.60612	0.4
145.10123	0.9
147.08008	0.5
147.11708	1.3
149.09578	1.6
154.69740	0.3
157.10136	0.9
159.11688	0.7
163.11185	1.4
165.12784	0.5
175.11208	1.0
180.05925	0.3
185.04214	0.6
193.12247	0.8
203.05269	0.4
211.13284	0.7
243.08345	2.6
251.12581	0.8
275.20139	1.1
333.20502	1.7
337.54633	0.4
389.23132	0.8
406.73453	0.4
469.20306	5.5
551.28180	7.8
552.29309	0.4
626.60272	0.4
717.20496	0.4
779.41644	100.0
780.42041	8.2
786.49200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
57.03427	2.1
57.07107	0.5
58.75217	0.4
61.02916	4.0
67.05501	3.9
69.03432	3.0
69.07069	1.2
71.01345	0.5
71.04975	0.7
73.02906	2.8
79.05485	3.6
81.03407	3.9
81.07044	4.8
82.90028	0.4
83.04987	0.9
83.08627	1.6
85.02892	5.5
91.03937	2.4
91.05462	3.3
93.07043	2.6
94.89267	0.4
95.04935	2.1
95.08624	1.5
97.02884	4.1
99.04440	1.0
101.02370	2.2
105.07030	1.9
107.04993	0.7
107.08583	1.2
109.02892	0.5
109.06519	0.8
109.10159	0.9
111.08067	0.8
117.07036	0.8
119.08605	1.9
121.10146	1.0
123.08091	0.6
127.03932	1.3
129.06995	0.8
131.08592	1.6
133.06422	0.5
133.10141	1.0
145.10056	1.1
147.11687	1.4
148.04565	0.5
149.09599	1.0
157.10132	0.8
161.03761	0.5
175.11214	0.9
193.12338	1.4
211.13345	0.7
243.08406	2.8
250.11610	0.4
251.12549	1.2
285.16684	0.4
333.20197	2.8
469.20328	10.0
469.26370	0.7
470.20575	0.9
541.22449	0.5
551.28040	4.2
652.57184	0.5
779.41632	100.0
780.41870	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	779.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
57.03428	1.4
61.02915	4.8
67.05497	5.0
67.63089	0.3
69.03431	3.0
69.07059	1.1
69.16937	1.2
69.17346	0.6
70.93437	0.3
71.01355	0.3
71.04994	0.9
73.02904	4.0
79.05481	3.6
81.03400	2.4
81.07034	3.4
83.04983	0.6
83.08604	0.8
85.02892	3.7
87.04467	0.5
91.03953	3.3
91.05470	1.9
93.07026	3.4
95.04961	1.1
95.08566	2.4
97.02877	4.0
97.06530	0.6
99.04475	0.7
101.02387	1.8
103.03990	0.4
105.04526	0.4
105.07043	1.4
107.08582	1.8
109.02873	0.7
109.10159	0.7
113.63303	0.3
119.08585	1.2
121.10146	1.6
123.11713	0.4
127.03923	1.1
129.07016	0.3
131.08578	0.9
133.10115	0.9
135.11687	0.8
147.11681	1.1
149.09636	0.8
157.10152	0.5
175.11208	0.6
184.07361	0.4
193.12262	1.0
203.05287	0.4
225.14902	0.5
243.08284	2.3
283.15091	4.4
335.25784	0.5
339.17654	0.6
341.69055	0.3
348.04263	0.4
501.22891	5.2
501.29578	0.4
503.07483	0.4
519.29187	6.9
520.30066	0.4
779.45386	100.0
780.45746	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	779.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	5.9
55.05250	3.4
55.05499	37.3
57.03430	14.7
61.72376	1.6
64.56082	1.7
65.03935	3.3
67.05489	69.7
67.75301	1.5
69.07060	19.7
71.04985	3.2
79.05475	67.9
81.03398	6.7
81.07040	52.6
81.68060	1.9
83.04968	10.1
83.08602	24.5
85.02885	2.2
85.06526	2.9
89.56118	2.1
91.05452	38.6
93.07024	64.5
95.04947	56.4
95.08582	34.7
97.06516	6.6
97.10157	12.2
99.04435	4.6
99.08048	2.3
105.04539	2.9
105.07014	29.7
107.04952	6.7
107.08564	36.9
109.06504	8.7
109.10126	18.0
111.04455	9.0
111.08039	4.8
117.06978	10.2
119.08556	21.3
121.06492	4.0
121.10110	30.5
123.08019	4.2
123.11698	6.1
124.30383	1.8
125.09600	5.6
129.06956	2.8
131.08528	13.3
133.10110	18.7
134.74817	2.0
135.08009	3.1
135.11644	14.1
142.91006	1.7
143.08531	3.5
145.10063	17.9
147.08043	3.8
147.11691	9.7
149.09578	19.8
149.13246	3.3
157.10127	3.5
159.08073	2.0
159.11621	10.8
161.13216	3.2
163.11156	17.2
169.10133	3.5
171.11755	4.4
173.13286	5.6
184.07303	4.5
187.11145	2.3
189.11177	7.1
205.12318	2.3
215.17894	5.0
223.13242	27.5
233.18961	6.4
239.17899	3.7
257.18991	7.2
260.73566	1.9
275.20007	34.8
280.70959	2.2
293.21063	22.2
295.07254	1.9
307.22604	100.0
308.22852	2.5
349.23718	8.4
367.24670	20.4
581.42010	13.0
599.42896	51.5
600.43054	5.5
779.44568	4.1
793.07428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03409	0.7
61.02909	1.1
69.03423	6.0
69.80572	2.3
70.06602	0.6
71.04980	0.8
73.02914	1.4
74.06107	0.6
75.04465	0.8
77.03931	1.3
81.03417	2.8
81.76975	0.6
82.06543	0.6
84.65485	0.5
85.02892	5.3
87.04473	0.7
91.05482	2.0
94.06573	1.6
95.04958	8.6
97.02867	3.3
99.04447	1.1
105.03378	65.8
105.04530	2.7
105.06999	1.1
106.03735	1.1
107.90307	0.7
108.08157	1.1
109.02894	1.4
109.06519	0.9
115.05463	0.8
116.29188	0.6
117.07000	0.9
119.04990	0.6
120.08126	0.9
122.69343	0.6
124.07577	0.7
127.03915	1.3
129.06978	1.5
131.08583	1.0
132.08127	0.9
134.09674	0.8
137.05951	1.2
138.09158	1.2
141.06985	1.0
143.08418	0.8
147.08029	0.7
153.07016	1.0
158.09630	1.1
160.07596	2.2
164.10770	0.7
165.05591	0.7
165.07007	0.8
167.08627	0.7
170.09677	1.2
172.11302	1.1
179.08575	1.2
181.10071	0.7
184.13371	0.6
190.07779	0.8
191.08604	1.6
193.10222	1.0
204.13881	1.9
205.10153	2.2
215.08604	1.1
217.10228	1.0
219.07950	0.8
223.11371	0.8
231.07690	0.7
233.09709	1.6
249.12938	0.9
251.10585	1.3
287.05539	0.7
336.16086	1.0
340.19214	0.9
349.57590	0.6
354.16971	5.2
355.17758	0.6
358.20114	1.5
396.20685	0.7
422.19595	1.6
448.21335	0.9
462.22977	1.0
464.20673	1.1
466.22293	1.1
480.23569	1.3
490.22214	1.9
494.22263	0.8
496.23590	1.0
498.24493	3.0
508.23361	2.9
522.24915	2.6
526.24243	2.1
527.24457	0.7
540.25854	3.8
558.26892	12.4
559.28314	0.8
582.27252	1.4
600.27972	0.7
618.28961	4.7
720.31970	5.7
780.34204	100.0
781.34680	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	780.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.2
55.05508	28.8
57.03427	25.6
61.02909	9.2
65.03919	6.3
67.05495	51.6
69.03427	13.0
69.07061	29.8
71.04976	12.2
71.20322	3.2
73.02915	3.4
75.00001	3.1
79.05482	71.3
81.03408	92.9
81.07047	100.0
83.04977	22.3
83.08610	31.8
85.02906	38.1
85.06544	6.4
86.09703	2.4
91.05469	96.8
92.05798	3.4
93.07034	69.2
94.07345	2.7
95.04957	50.9
95.08597	28.5
97.02858	8.7
97.06507	7.7
97.10142	4.4
99.08105	2.9
105.04485	4.6
105.07017	51.9
107.04931	18.7
107.08578	32.5
109.06500	22.7
109.10150	11.7
111.04440	3.3
111.08085	14.5
113.05977	2.8
115.05415	7.8
117.06991	21.7
119.04958	3.7
119.08553	55.6
121.06481	13.5
121.10117	18.1
123.08057	11.7
123.11733	3.1
128.06218	6.2
129.06982	32.9
131.08549	36.9
133.06464	11.0
133.10101	27.5
135.08012	19.8
135.11653	4.1
137.09561	14.7
140.69397	2.6
142.07751	7.3
143.06996	3.6
143.08513	14.4
145.06425	6.0
145.10101	13.7
147.08006	28.1
147.11641	22.5
149.09592	17.6
157.10123	30.7
159.11694	4.8
161.09618	16.1
161.13191	5.7
163.11157	4.3
165.09085	3.1
165.12770	3.3
169.10048	2.5
171.11697	6.2
175.11145	22.7
177.09076	4.5
185.09592	4.5
189.12833	2.6
191.10576	3.1
193.12215	59.8
197.07271	11.9
199.14780	14.7
201.12791	3.6
203.10612	2.9
207.96219	2.6
209.13457	3.6
211.13252	78.8
217.15817	9.0
227.14212	7.5
235.12387	5.9
239.12817	3.6
243.08372	2.8
245.15346	48.7
253.13515	21.3
263.12158	2.9
263.16550	5.2
265.16150	2.5
267.15881	41.8
275.20016	3.0
281.12973	10.9
283.15210	2.5
285.16910	91.5
299.13788	5.8
319.18921	12.4
350.23856	3.1
355.16641	43.0
373.17712	53.2
374.18045	4.5
394.33511	2.6
511.30945	5.4
529.31238	18.0
533.34320	3.2
547.26892	13.7
552.27679	2.8
565.29242	61.0
583.30200	64.7
584.30731	6.1
754.75049	3.5
780.40692	57.5
781.38049	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.2
55.05508	28.8
57.03427	25.6
61.02909	9.2
65.03919	6.3
67.05495	51.6
69.03427	13.0
69.07061	29.8
71.04976	12.2
71.20322	3.2
73.02915	3.4
75.00001	3.1
79.05482	71.3
81.03408	92.9
81.07047	100.0
83.04977	22.3
83.08610	31.8
85.02906	38.1
85.06544	6.4
86.09703	2.4
91.05469	96.8
92.05798	3.4
93.07034	69.2
94.07345	2.7
95.04957	50.9
95.08597	28.5
97.02858	8.7
97.06507	7.7
97.10142	4.4
99.08105	2.9
105.04485	4.6
105.07017	51.9
107.04931	18.7
107.08578	32.5
109.06500	22.7
109.10150	11.7
111.04440	3.3
111.08085	14.5
113.05977	2.8
115.05415	7.8
117.06991	21.7
119.04958	3.7
119.08553	55.6
121.06481	13.5
121.10117	18.1
123.08057	11.7
123.11733	3.1
128.06218	6.2
129.06982	32.9
131.08549	36.9
133.06464	11.0
133.10101	27.5
135.08012	19.8
135.11653	4.1
137.09561	14.7
140.69397	2.6
142.07751	7.3
143.06996	3.6
143.08513	14.4
145.06425	6.0
145.10101	13.7
147.08006	28.1
147.11641	22.5
149.09592	17.6
157.10123	30.7
159.11694	4.8
161.09618	16.1
161.13191	5.7
163.11157	4.3
165.09085	3.1
165.12770	3.3
169.10048	2.5
171.11697	6.2
175.11145	22.7
177.09076	4.5
185.09592	4.5
189.12833	2.6
191.10576	3.1
193.12215	59.8
197.07271	11.9
199.14780	14.7
201.12791	3.6
203.10612	2.9
207.96219	2.6
209.13457	3.6
211.13252	78.8
217.15817	9.0
227.14212	7.5
235.12387	5.9
239.12817	3.6
243.08372	2.8
245.15346	48.7
253.13515	21.3
263.12158	2.9
263.16550	5.2
265.16150	2.5
267.15881	41.8
275.20016	3.0
281.12973	10.9
283.15210	2.5
285.16910	91.5
299.13788	5.8
319.18921	12.4
350.23856	3.1
355.16641	43.0
373.17712	53.2
374.18045	4.5
394.33511	2.6
511.30945	5.4
529.31238	18.0
533.34320	3.2
547.26892	13.7
552.27679	2.8
565.29242	61.0
583.30200	64.7
584.30731	6.1
754.75049	3.5
780.40692	57.5
781.38049	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	34.4
57.03427	25.0
67.05492	76.8
69.07049	19.8
70.62589	17.0
79.05485	100.0
81.07037	76.8
83.08608	13.7
91.05465	78.5
93.07021	85.1
95.04975	11.6
95.08598	58.5
98.84538	9.2
105.07011	59.2
107.08576	35.3
109.10165	28.9
111.50809	9.8
117.06982	24.4
119.08559	47.5
121.10114	50.7
129.06999	9.8
131.08554	29.5
133.10112	37.1
135.11674	16.8
145.10078	27.9
147.10678	9.9
147.11711	33.5
155.93144	9.8
159.11682	18.6
171.11600	13.4
173.13324	13.0
184.07193	11.0
259.20444	14.5
307.22516	45.9
311.44534	11.8
333.24203	23.9
385.02176	11.3
505.71973	11.9
583.43396	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	780.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	33.5
57.03420	12.8
57.07054	8.1
60.72673	7.0
67.05502	74.5
69.07053	29.0
71.10868	7.2
71.36293	7.2
73.00478	8.5
79.05486	100.0
81.07042	78.7
83.08608	19.7
91.05458	82.2
93.07037	81.8
95.04981	15.3
95.08604	42.1
98.28988	9.2
105.07026	82.8
107.08573	41.9
109.10166	17.9
117.07011	21.8
119.08549	54.4
121.10136	35.9
131.08601	40.1
133.10098	49.3
133.31140	9.3
135.11687	26.8
135.17340	7.9
145.10109	33.9
147.11681	31.3
149.13289	15.7
157.10143	13.8
159.11710	16.9
161.13251	25.9
167.10414	7.9
171.11699	19.9
173.13199	10.5
207.53285	8.4
213.16359	15.4
215.18015	9.0
231.17351	14.2
241.19536	21.3
259.20554	43.0
299.05307	8.5
307.22662	67.4
333.24219	37.1
335.25867	17.4
403.14178	11.2
583.43054	45.1
763.51208	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	780.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	22.2
57.03427	24.8
57.07066	3.0
57.27662	2.7
60.26847	2.2
61.02909	5.6
65.03932	2.9
67.05498	66.8
67.05860	3.3
69.07054	14.4
69.93611	6.0
79.05487	75.5
81.07050	68.9
83.04963	3.3
83.08615	8.1
85.06536	3.4
86.09696	4.0
91.05472	49.4
93.07033	76.5
95.04969	14.2
95.08592	49.8
95.09191	2.9
97.02880	4.9
97.10158	3.6
99.08058	3.3
105.07024	37.5
107.08604	28.6
109.06522	4.1
109.10128	14.4
117.07008	13.5
119.08566	32.8
121.10141	35.6
123.11708	3.1
129.06987	7.0
131.08525	17.3
133.10120	23.8
135.11656	17.3
143.08530	7.8
145.10153	15.8
147.11684	18.5
149.13274	10.7
151.11279	3.1
157.10104	4.9
159.11661	12.7
161.13277	6.8
171.11609	4.0
173.13283	9.1
175.14937	4.0
181.35344	2.3
183.11671	3.1
184.07390	9.0
185.13249	3.7
187.14825	6.0
189.16391	2.7
199.14812	3.2
201.16495	2.6
213.16365	2.9
215.17888	5.0
231.21004	3.2
233.18987	4.2
241.19489	5.5
259.20529	16.0
261.22482	3.0
277.21640	11.3
280.23935	2.7
280.93216	2.4
307.22668	100.0
308.23044	3.8
333.24142	13.2
351.25314	23.6
409.35352	2.7
416.16837	3.1
583.43402	24.6
584.43231	2.6
618.30444	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	780.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	30.5
57.03434	25.3
57.31591	4.6
65.03958	4.4
67.05497	100.0
69.03435	6.8
69.07058	33.6
71.04953	9.6
79.05486	79.5
79.78439	4.5
81.07047	77.2
81.10875	4.3
83.08610	13.8
85.06537	5.8
86.09714	5.3
91.05469	63.2
93.07029	81.7
95.04976	16.2
95.08598	63.1
96.46992	4.4
97.06519	6.3
97.10181	6.3
99.08070	6.1
105.07020	53.5
107.08583	41.2
109.10136	22.2
117.07019	23.1
119.08557	43.2
120.08891	4.2
120.50448	4.3
121.10147	27.4
123.08104	5.0
129.07004	9.9
130.64865	4.1
131.08557	28.1
133.10121	43.7
135.11703	18.8
142.12164	4.2
143.08571	8.4
145.10117	18.4
147.11664	30.2
149.13277	10.3
157.10138	11.4
159.11676	19.1
161.13257	10.1
170.63568	4.6
171.11617	9.7
173.13234	11.4
175.14784	8.8
177.12679	6.5
184.07312	19.3
185.13173	4.6
187.14778	5.5
213.16399	12.8
215.17857	5.9
222.53761	4.0
231.17429	16.9
241.19478	4.4
249.18536	7.8
297.97418	4.0
307.22720	14.9
317.98230	4.8
323.22165	20.4
333.24106	5.0
335.25769	44.4
583.43451	24.0
689.88202	4.5
763.08722	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	781.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05501	2.5
57.03434	1.7
57.34710	0.4
60.96643	0.4
61.02915	4.0
67.05499	2.9
68.40511	0.4
69.03435	2.5
69.07059	2.2
69.71078	0.9
69.71442	0.9
72.08016	0.5
73.02911	3.2
73.85968	0.4
79.05479	3.1
79.44702	0.4
79.47450	0.4
81.03426	1.9
81.07050	4.0
83.08614	0.8
85.02888	3.5
91.03957	2.2
91.05477	2.9
93.07040	2.7
95.04969	1.6
95.08607	1.5
97.02871	3.6
97.06535	0.8
97.10153	0.7
99.04471	0.8
101.02387	1.0
105.03417	1.6
105.07013	2.7
107.08600	2.5
109.02914	0.5
109.10130	2.5
109.40895	0.4
117.07021	1.0
119.08577	0.7
121.10132	1.1
123.08104	0.8
123.11720	0.5
125.09632	1.0
127.03933	1.7
129.06981	0.8
131.08574	1.0
133.10123	3.9
137.09593	0.5
151.11163	2.5
163.11198	0.9
185.04248	0.6
237.11102	1.3
241.69191	0.5
243.08417	2.7
277.92477	0.5
291.19684	0.6
293.13846	0.7
301.09070	0.7
315.10678	0.6
349.19968	1.5
358.09537	0.4
405.22443	0.8
451.19281	0.5
455.18814	8.3
527.21179	0.9
567.27661	4.9
763.35822	0.5
781.39673	100.0
782.40485	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	781.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
57.03425	3.5
61.02920	6.7
65.03946	1.4
67.05502	9.5
69.03425	6.1
69.07042	2.0
69.66138	3.0
71.04990	5.4
73.02915	5.2
79.05473	6.2
81.03413	3.5
81.07050	9.2
83.04967	1.5
83.08607	2.1
85.02889	5.8
86.09711	2.3
91.03948	3.8
91.05494	5.7
93.07061	5.7
95.04967	3.0
95.08588	3.6
97.02890	6.4
97.10214	1.2
99.04379	1.4
101.02383	4.1
105.07027	3.3
107.08584	2.4
109.06503	1.8
109.10126	3.5
119.08595	2.5
121.10114	2.1
129.50777	1.2
131.08612	1.3
133.10135	1.5
135.11615	1.9
137.09612	2.1
139.92360	1.2
147.11647	1.6
184.07309	1.8
185.04298	1.2
195.14922	3.6
200.38843	1.1
243.08408	4.9
253.14180	2.5
269.10657	1.4
302.92465	1.4
333.20358	3.0
343.85297	1.5
454.31293	1.4
467.18466	1.9
471.21817	11.3
519.22089	2.3
551.28522	6.8
781.32977	13.9
781.43677	100.0
782.44482	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	781.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05491	1.8
56.96561	0.7
57.03415	1.9
61.02912	3.9
67.05497	6.7
69.03419	3.1
69.07041	1.5
69.86904	1.3
70.06593	0.6
71.04987	4.3
73.02911	3.5
74.63313	0.5
79.05482	3.8
79.05872	0.7
81.03426	3.0
81.07038	4.4
83.04960	1.6
83.08605	2.2
85.02892	5.2
86.09691	0.6
91.03941	2.6
91.05467	4.9
92.05811	0.7
93.07040	3.9
93.91960	0.6
95.04960	2.5
95.08582	2.7
97.02872	4.7
97.06525	1.0
97.10120	0.6
99.04472	0.9
101.02361	1.9
105.07001	2.0
107.04906	0.7
107.08575	3.1
109.02878	1.2
109.06526	1.0
109.10143	3.7
111.08127	0.7
117.07005	0.9
119.08573	4.6
121.06497	1.1
121.10127	1.9
123.08064	1.0
127.03896	1.3
131.08534	1.1
133.10097	1.3
135.11687	1.7
137.09595	2.7
145.10071	1.6
149.09586	1.5
163.11150	1.7
165.09155	0.9
173.11761	0.6
181.12183	0.7
184.07344	0.6
185.04202	0.6
203.47658	0.5
223.13429	0.6
243.08441	2.8
253.14015	0.6
257.13605	0.7
258.14011	1.2
333.20239	2.0
401.18851	1.3
402.19128	1.0
439.19070	0.8
469.20197	1.4
471.21906	7.3
551.28088	5.6
552.28955	0.7
566.27625	0.9
584.28528	2.3
677.34863	1.2
781.43298	100.0
782.43762	7.6
808.80090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05484	2.3
61.02917	5.5
65.03889	0.9
66.38899	0.9
67.05488	5.3
69.03411	3.7
69.07057	2.3
70.06569	1.5
71.01352	1.1
73.02897	3.8
79.05470	7.0
81.03424	2.8
81.06622	1.2
81.07036	6.0
83.04970	1.6
83.08653	1.1
85.02885	6.0
91.03928	2.6
91.05473	2.9
93.07032	6.6
95.04951	1.1
95.08592	2.6
97.02876	4.0
97.06518	1.2
99.04420	1.1
101.02351	2.0
103.03935	1.0
105.07036	1.9
107.04922	1.2
107.08569	3.2
109.02899	1.0
109.06494	1.4
109.10119	1.1
111.04449	1.5
119.08578	1.8
121.10194	1.6
123.08047	1.2
127.03912	1.7
131.08563	1.7
133.10208	1.2
135.11658	4.8
145.10100	2.2
157.10165	1.3
163.11200	1.9
184.07410	1.4
200.91145	1.0
211.80699	1.1
243.08502	1.9
330.27664	1.0
331.18738	1.3
439.19345	5.7
549.26605	3.3
585.24200	3.2
679.85938	1.1
705.01459	1.3
747.39105	1.7
783.36481	100.0
784.37225	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	783.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05503	1.6
57.03428	4.9
61.02924	4.9
62.02190	0.7
67.05497	3.3
69.03422	4.7
69.07060	2.5
69.08224	6.1
71.04993	1.1
73.02900	4.8
76.82819	0.7
79.05486	3.0
81.03414	3.3
81.07047	3.5
83.04967	1.2
83.08595	1.8
85.02888	7.6
90.36623	0.8
91.03951	4.6
91.05460	2.9
92.37570	0.8
93.07034	2.8
95.04958	1.8
95.08600	1.0
97.02075	0.8
97.02274	0.9
97.02863	6.5
97.81369	0.7
99.04425	1.6
99.08059	1.1
101.02360	2.0
103.03904	1.6
105.07039	1.7
107.04968	0.9
107.08546	1.3
108.63718	0.9
109.02853	1.2
115.03983	0.9
117.05449	1.4
119.08545	1.3
125.09595	1.4
127.03922	2.7
129.05455	6.2
135.11749	1.1
137.09610	1.3
145.04921	0.8
170.82338	0.8
173.11711	1.4
185.04158	5.5
192.02971	2.0
201.03740	2.3
243.08319	4.9
259.07910	1.0
281.82666	0.9
289.59866	0.8
301.08853	7.8
313.08954	2.5
315.10498	6.5
341.11905	1.4
349.19876	6.7
355.13614	2.9
357.15118	13.3
369.15088	1.0
373.11194	3.1
385.18484	3.7
389.22491	1.3
415.15952	1.2
429.17548	1.9
441.17188	2.5
457.16837	3.0
461.24976	2.3
497.20285	1.0
499.25467	1.2
503.29840	3.8
516.14734	0.9
529.19012	1.9
539.24738	3.7
541.26068	3.7
549.30249	2.4
567.27704	15.8
568.28308	1.0
583.27313	1.2
595.27063	1.1
596.27332	1.1
611.26349	2.2
613.27802	7.8
625.28113	1.3
639.29773	22.8
640.30267	2.0
653.31506	1.6
664.34198	1.7
681.34009	7.3
682.34827	2.4
765.36499	3.2
783.37585	100.0
784.37982	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	783.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05511	1.9
57.03438	1.8
59.04992	1.3
59.33699	0.5
61.02929	5.1
67.05496	4.2
69.03432	2.3
69.07074	0.7
69.68388	1.3
69.68787	1.1
71.01347	0.6
71.04984	1.0
73.02909	2.4
79.05485	2.8
81.03407	7.7
81.03839	0.7
81.07061	2.6
83.04987	1.0
83.08624	1.0
85.02901	3.7
86.39618	0.5
91.03953	2.5
91.05462	4.8
93.07031	4.0
95.04955	3.1
95.08613	1.9
95.25340	0.4
97.02887	3.6
97.06529	0.8
97.54604	0.5
98.23408	0.8
99.04436	0.6
100.15679	0.4
101.02383	1.4
103.03980	0.6
104.92951	0.5
105.03406	2.3
105.04531	0.6
105.07036	2.3
107.04982	0.9
107.08627	1.8
109.02916	0.7
109.06507	0.7
109.10175	2.3
111.04469	1.1
111.08082	0.8
117.07079	0.7
119.08563	3.0
121.06547	2.2
121.10181	0.7
123.08096	0.9
125.09640	0.7
127.03915	1.1
129.07042	0.9
130.59271	0.5
131.08589	1.0
133.10179	0.5
137.09644	2.2
147.08116	1.2
149.09666	1.6
152.31839	0.6
163.11246	0.8
165.09178	1.9
185.04196	0.7
237.11131	0.6
239.12822	0.7
243.08412	3.0
255.12146	2.1
333.20377	1.0
362.75433	0.5
404.85126	0.5
441.17654	0.7
473.19894	13.0
473.26038	0.9
501.22961	0.9
523.25281	2.2
551.28052	5.0
737.49554	0.6
751.39258	0.7
783.41302	100.0
784.41614	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	783.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
55.05501	1.2
57.03442	1.8
59.04998	0.7
61.02925	3.2
67.05509	3.4
69.03435	2.8
69.07098	1.1
71.05000	1.0
71.16036	0.7
71.44075	0.7
73.02921	3.2
75.45074	0.8
79.05495	3.2
81.03408	8.9
81.07069	3.1
83.08652	0.7
85.02896	3.2
91.03970	2.4
91.05470	5.7
91.43342	0.7
93.07023	4.9
95.04959	5.5
95.08618	2.3
97.02894	2.7
97.06522	1.0
99.04462	1.0
101.02380	1.3
105.03385	23.5
105.04507	1.3
105.07056	2.9
107.04977	1.2
107.08637	0.8
109.02859	1.0
109.06516	1.5
109.10180	1.5
117.07089	1.0
119.08565	3.8
121.06504	1.5
121.10203	1.4
127.03941	1.5
131.08583	1.3
133.10149	0.7
137.09648	1.3
137.39670	0.8
145.10107	0.8
147.07014	0.9
147.08115	1.7
147.11757	1.4
157.08897	1.0
160.07634	0.7
165.09140	1.4
166.89731	0.7
174.09212	1.0
219.11815	1.0
239.12708	1.0
241.07005	1.1
243.08488	3.1
255.12227	2.0
273.31949	0.9
277.95319	0.8
290.15430	1.4
333.20508	2.3
336.15781	1.0
340.50296	0.8
423.19989	0.9
455.19479	0.8
473.19879	13.9
473.26010	1.2
501.23544	1.4
523.25281	2.2
551.28021	4.3
651.68842	0.8
783.41309	100.0
784.31512	17.4
784.45294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.5
56.05033	0.4
57.07055	1.8
58.06584	0.5
64.77669	0.5
69.96947	0.9
72.04509	1.0
73.14850	0.4
77.03918	4.2
79.05480	1.2
81.03400	0.5
81.07046	0.7
85.06527	0.6
86.06045	0.5
91.05476	1.5
94.06595	0.7
95.04958	21.2
96.05284	0.5
96.08039	0.4
98.05975	0.4
105.03382	100.0
105.04411	8.8
105.07024	2.4
106.03720	1.1
108.08120	0.7
110.06038	1.5
115.05430	1.0
117.07048	0.9
118.06575	0.4
119.04918	1.5
119.08542	0.8
121.06502	0.8
122.06033	0.7
124.07586	1.5
128.06194	0.7
129.07016	1.3
131.07307	0.8
131.08484	0.9
132.08109	0.7
133.06490	0.5
136.07558	1.1
138.05486	1.1
140.05844	0.5
142.07835	0.5
143.08551	0.8
144.08081	1.6
145.06467	1.6
146.09657	1.1
147.06795	0.8
147.08038	1.0
148.07552	1.9
155.08546	1.1
157.08849	3.1
158.09660	1.3
159.08075	0.5
160.07573	4.6
161.08324	0.9
162.09125	1.3
165.06975	0.9
167.08566	0.8
169.10202	0.6
170.09612	0.7
172.07599	0.8
173.08328	2.3
174.09123	3.2
175.07542	0.8
178.07805	1.3
179.08542	1.7
181.10172	1.0
186.09021	0.4
191.08607	0.9
192.09377	1.5
193.10115	2.0
195.08017	0.5
197.08359	0.4
198.09148	1.1
200.10699	0.9
202.07726	0.4
203.08578	1.2
204.09288	2.6
205.10028	2.4
206.10956	0.9
207.11710	1.6
209.09700	0.6
209.13335	1.0
211.09877	0.9
212.10603	1.0
215.08591	2.0
216.09348	3.1
217.10068	0.8
218.10931	1.1
219.11754	3.3
220.08752	0.4
221.09671	0.9
221.13289	1.6
223.11182	0.4
223.58949	0.4
224.10576	0.6
228.10117	1.1
229.10181	0.8
231.11713	2.6
232.08922	0.4
232.11235	0.9
233.09660	1.0
233.13356	1.1
234.10690	0.5
235.11339	1.2
236.14220	0.4
237.12831	0.6
238.12111	0.6
245.12012	0.6
246.12756	1.0
247.11139	1.4
247.13489	0.8
248.10698	0.6
248.14365	0.7
249.12718	1.6
257.12076	0.6
259.11243	1.3
260.10757	0.4
260.14410	0.8
261.11487	0.5
261.15210	0.5
262.12524	0.9
262.15927	1.8
264.13904	0.8
272.14389	1.3
274.12216	1.5
274.14728	0.5
275.13150	1.1
276.13776	0.8
277.12244	0.7
278.15488	1.6
280.16925	0.9
288.13773	2.4
289.14590	1.2
290.15335	7.8
292.13403	0.5
306.14990	1.3
308.16415	3.3
318.14920	2.3
336.15942	2.5
350.17514	0.6
354.17044	1.2
360.16162	0.4
378.16727	0.9
396.17648	0.6
412.19135	0.5
472.21414	0.6
498.24942	1.2
500.20834	1.2
543.26947	0.4
574.27795	0.6
622.23956	0.7
662.29272	2.2
700.34406	0.4
772.81769	0.4
783.41632	0.5
784.33093	88.3
785.33417	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	784.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.9
67.05448	0.2
68.05015	0.2
69.07059	0.8
69.70103	0.5
70.06586	0.3
71.08615	1.1
74.86214	0.2
79.05476	0.2
81.07044	0.3
86.09692	100.0
86.94171	0.2
87.10030	0.9
91.05478	0.4
93.07030	0.5
95.04912	0.2
98.09682	1.5
98.23296	0.3
103.05451	1.0
104.70982	0.2
105.07009	1.4
110.09711	0.2
112.11228	7.0
113.11558	0.3
116.17269	0.2
120.08085	43.8
121.08450	0.8
122.17491	0.2
124.11162	0.2
132.08122	0.4
140.10701	0.2
146.09615	2.1
154.15881	19.5
155.16290	0.4
155.26828	0.2
157.13339	10.4
165.10173	0.2
166.15891	0.3
167.11757	0.3
181.16977	0.3
182.15367	0.3
185.12822	14.3
186.13301	0.2
188.14307	6.7
188.15981	0.4
191.11812	0.7
199.18027	15.6
200.18506	0.2
208.29559	0.2
209.16518	0.6
216.13995	0.2
219.11226	1.1
225.19579	7.6
227.17503	13.7
228.17842	0.4
233.16454	17.1
234.16806	0.3
235.18182	0.5
243.15005	0.7
253.19072	7.2
255.17157	0.2
259.17996	2.3
261.15936	14.3
262.16400	0.4
263.17490	0.3
267.24265	7.5
268.24942	0.2
269.16483	0.2
271.14368	0.3
277.22833	0.4
280.20105	0.4
281.18521	0.2
287.17505	3.2
289.15417	0.2
295.23767	4.2
295.26883	0.3
296.24329	0.2
298.21207	8.4
301.22696	7.5
301.26151	0.3
311.21185	0.6
314.18713	0.3
322.24936	0.4
326.20596	0.2
329.22205	4.4
330.22574	0.3
332.19620	5.5
332.23648	0.3
340.25906	3.4
350.24518	0.3
356.23358	0.8
357.21613	0.3
366.27472	2.4
368.25452	0.3
374.24316	4.9
374.28918	0.3
383.30170	1.5
400.25873	2.7
408.32220	1.0
411.29614	4.9
417.28586	2.0
425.34900	0.6
439.29074	0.3
442.30536	1.9
445.27985	4.7
446.28244	0.3
451.36301	0.3
453.34491	0.8
455.26877	0.3
459.33197	1.7
473.27835	0.4
479.35971	2.3
485.34955	0.3
487.32788	2.6
496.38412	1.1
513.34296	4.4
515.32050	0.3
524.38007	4.4
525.38287	0.3
527.39630	0.2
530.36847	3.0
540.35278	0.2
555.39111	2.1
558.36401	9.7
559.36914	0.7
568.35059	0.5
572.41583	0.8
586.35828	0.3
592.44128	1.4
598.43250	0.4
600.40997	1.6
609.47290	0.5
610.40082	0.3
626.42645	6.7
627.43274	0.5
636.40912	0.2
637.46393	1.8
643.45288	5.2
643.55359	0.3
644.46356	0.3
653.43756	0.7
655.45618	0.3
668.47705	0.9
671.44781	15.8
672.45514	1.0
681.43530	0.3
699.44550	0.3
711.51221	0.5
713.49457	0.8
739.51129	3.2
756.53650	6.6
757.54303	0.8
766.51917	2.0
767.52258	0.3
784.53241	7.5
785.53882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03434	5.1
60.74819	0.5
61.02922	5.5
66.86206	0.6
69.03423	13.0
71.01335	1.3
71.04991	1.9
73.02911	23.5
81.03408	9.4
83.01326	1.4
85.02895	100.0
86.03217	0.6
87.04464	0.9
97.02881	86.7
98.03204	1.2
99.04436	8.4
99.65303	0.5
101.02397	0.8
103.03992	0.6
109.02867	34.2
110.03196	1.1
115.03928	5.4
121.02849	2.3
127.03901	34.3
128.04326	0.6
133.02844	0.9
133.04979	3.1
138.62764	0.6
139.03883	1.9
145.04935	8.5
153.01823	1.2
165.01846	1.6
169.05011	3.7
187.06000	30.5
189.79422	0.6
205.07043	60.5
206.07358	1.1
213.05405	0.7
220.44334	0.5
223.06143	0.7
231.06445	0.8
241.04848	1.0
283.08035	1.4
287.05463	86.8
288.05835	3.3
321.14301	0.6
329.06601	0.9
420.73541	0.6
449.10733	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	785.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03434	2.0
59.04985	0.2
61.02919	3.0
62.71317	0.2
68.99799	0.4
69.03421	20.9
70.95947	0.3
71.01349	1.0
71.04981	1.7
73.02909	10.6
75.06284	0.2
75.68642	0.2
79.05511	0.3
81.03403	6.7
83.01325	0.9
85.02894	22.7
87.04462	0.4
88.42859	0.2
97.02882	24.9
99.03801	0.3
99.04444	5.8
107.04968	0.3
109.02866	36.0
109.52322	0.2
110.03202	0.8
111.00806	0.6
115.03912	3.3
121.02851	2.5
127.03900	23.2
128.04219	0.4
133.02859	0.3
133.04941	0.7
137.02332	0.6
139.03891	2.3
140.16528	0.2
145.04945	13.5
146.05275	0.3
147.04376	0.3
153.01802	2.8
157.05017	0.5
157.06369	0.3
165.01811	1.6
169.03601	0.4
169.04948	5.4
175.05981	0.3
183.02867	0.5
185.05911	0.3
187.04298	0.3
187.05995	7.8
205.07048	23.3
206.07428	0.3
213.05429	0.7
231.06506	0.7
241.04945	0.9
258.05176	0.7
259.06042	0.4
283.08066	0.4
287.05460	100.0
288.05795	3.0
299.05548	0.5
311.05539	0.2
329.06549	0.4
365.06424	0.3
449.10751	13.2
450.10983	0.7
454.31348	0.2
491.11255	0.4
768.90125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
57.56598	1.3
67.05485	1.5
69.03404	1.8
70.06610	2.4
73.83690	1.2
77.03920	2.6
79.05473	1.7
81.03403	1.6
81.07068	2.2
85.02885	2.1
86.06041	1.9
91.05460	2.6
94.06564	1.3
95.04951	13.9
95.08604	1.8
95.13355	1.2
97.02917	2.4
100.78295	1.3
105.02667	3.3
105.03382	63.9
105.04510	4.0
105.07008	1.4
107.08556	1.4
109.10114	1.8
128.32921	1.3
129.07005	1.5
138.09155	2.5
144.08075	2.3
157.08862	14.7
158.09686	2.9
160.07512	2.4
162.09204	1.8
173.08388	2.4
173.78790	1.3
174.09158	5.9
198.09090	1.9
216.09375	2.7
231.11726	2.8
257.11829	1.7
260.14063	1.3
270.12759	1.4
272.14325	2.6
283.12201	2.2
287.05753	1.7
288.13971	1.6
289.14496	1.6
290.15463	5.2
300.13892	4.1
302.15485	1.7
311.15475	1.5
313.17001	3.2
318.14816	4.0
336.15851	1.7
343.18063	2.8
360.15677	1.7
361.19046	4.0
403.20389	1.8
470.20154	1.7
603.26917	2.7
604.25470	9.0
663.28729	1.9
666.27185	3.9
723.85791	1.5
726.28577	4.8
785.32520	100.0
786.32904	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	785.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
57.74693	0.8
61.02922	3.7
65.00102	0.9
66.81579	1.0
67.05500	4.2
69.03409	1.6
69.07037	1.1
73.02916	2.9
76.50542	1.0
79.05495	3.3
81.03403	1.1
81.07050	1.9
83.04938	0.9
85.02891	2.4
91.03952	1.2
91.05485	1.7
93.07037	2.5
95.08564	1.5
97.02886	2.8
101.02347	1.0
103.29086	0.9
105.07059	1.4
107.08595	1.6
121.10088	1.1
127.03907	1.9
133.10133	1.7
141.04335	1.1
162.99841	1.1
243.08562	1.6
428.71875	1.3
491.26132	5.9
510.23944	1.0
524.59167	1.0
535.28937	1.6
576.12408	1.1
715.93036	1.1
785.47913	100.0
786.48505	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	786.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
55.05504	1.3
55.37654	0.5
58.29122	0.6
65.00333	0.6
67.05498	2.9
69.03404	0.9
69.07059	0.9
70.06603	0.7
73.99098	0.7
77.03916	2.8
79.05486	3.2
81.03416	1.8
81.07040	2.0
83.04935	0.7
83.08599	1.0
85.02859	0.9
86.09690	0.6
91.05466	3.2
93.07010	2.1
94.06546	0.8
95.04958	24.4
96.08101	0.7
97.06522	1.1
101.53162	0.6
105.03381	100.0
105.04420	11.8
105.06982	3.7
106.03721	1.5
107.08569	2.0
109.10140	0.7
109.65491	0.6
110.06023	1.8
115.05441	1.4
117.07005	1.8
119.04956	1.6
119.08558	1.4
120.08107	1.0
121.06458	0.6
124.07574	1.9
125.09589	0.6
128.06232	1.3
129.07010	1.3
131.08513	1.4
132.08066	1.0
133.06555	0.6
133.10114	1.5
134.09669	1.5
136.07545	1.0
143.08543	1.4
144.08041	1.6
145.06442	2.9
145.08865	0.7
146.09624	1.9
147.06856	0.7
147.07994	1.6
148.07530	1.9
153.06993	0.7
155.08516	1.0
157.08844	2.7
159.08054	1.4
160.07582	5.1
162.09076	2.9
165.06982	0.7
167.08524	1.2
169.10077	0.8
172.07480	1.1
173.08345	1.7
174.09140	1.7
178.07690	1.4
179.08463	0.7
181.10072	1.1
183.08147	0.7
184.07352	1.0
191.07001	1.0
191.08618	1.1
192.09315	2.1
193.10078	2.7
193.11971	0.7
195.11714	1.2
203.08476	1.5
204.09180	2.8
205.10127	1.9
206.10854	1.9
207.11696	2.6
209.13353	0.8
212.14302	0.7
215.08492	1.2
216.09236	2.9
216.15309	0.6
217.10081	2.6
219.11667	4.1
221.13220	1.5
229.10106	1.5
231.11618	2.3
232.08823	0.9
233.09550	1.2
235.11183	2.1
237.12766	0.9
245.11998	1.7
246.12712	1.3
247.11110	2.2
247.13513	0.8
249.12677	1.6
250.15784	1.0
260.14481	2.9
262.12198	1.0
262.15878	1.7
263.12979	0.8
264.13855	0.9
266.11847	0.8
272.14145	0.9
273.11459	1.1
275.13132	0.8
276.13608	1.0
278.15271	3.3
288.13815	5.8
289.14502	1.1
290.15329	3.1
296.16382	1.1
306.14832	7.0
308.16370	1.6
324.15945	2.5
334.14352	2.2
348.15829	1.3
352.15308	3.3
366.16812	0.9
370.16519	0.6
393.48468	0.6
394.16348	1.6
412.17877	0.7
440.20303	0.8
456.17740	0.8
500.22690	1.1
516.20117	4.8
576.21881	2.2
589.34235	1.2
604.26270	0.7
638.23724	14.3
639.24091	1.2
664.27368	8.1
726.29016	3.3
768.29108	1.7
785.36182	1.3
786.30725	54.6
787.30981	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	786.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.7
55.05505	24.3
55.05762	1.0
57.03430	13.9
57.07052	1.7
59.04963	3.0
61.02921	5.2
65.03902	2.5
67.05499	24.4
69.03424	4.5
69.07060	16.4
69.63559	2.7
70.06553	0.7
71.01326	1.6
71.04999	3.6
73.02881	1.6
77.03883	0.8
79.05482	33.0
81.03412	14.5
81.07047	40.0
83.01324	8.3
83.04967	16.8
83.08612	16.4
85.02897	8.0
85.06495	1.3
91.03912	1.6
91.05468	26.1
93.07034	33.5
95.04951	15.6
95.08594	10.2
96.87738	0.6
97.02888	6.5
97.05975	0.7
97.06518	7.4
97.09588	1.0
97.10156	11.5
99.00780	1.7
99.04411	3.1
99.08060	1.6
103.05440	1.8
105.03400	4.5
105.04469	2.2
105.06356	1.2
105.07011	17.3
106.03664	0.8
107.04951	13.0
107.08578	22.8
109.02876	6.2
109.05855	1.0
109.06509	12.8
109.10132	5.9
111.04440	5.9
111.08071	5.3
111.92129	0.7
113.05955	0.8
115.03913	0.9
115.05386	2.2
117.06173	0.8
117.07007	15.8
119.05986	0.6
119.07750	0.9
119.08561	16.4
121.02815	1.1
121.06512	8.0
121.10135	8.0
123.04393	3.5
123.07246	1.1
123.08057	11.0
125.05934	1.7
125.09619	8.2
128.06210	1.2
129.06995	4.8
130.07762	1.0
131.04897	1.0
131.08531	7.0
133.06448	1.6
133.10103	10.2
135.04329	1.7
135.08038	14.2
135.11664	12.0
137.05931	1.2
137.09599	5.9
139.07512	1.8
143.08542	3.6
145.06480	4.7
145.10115	16.3
147.08047	3.6
147.11595	1.9
149.05977	0.7
149.09602	2.7
151.07483	0.7
151.11050	3.0
153.09047	3.0
153.12691	4.0
155.08464	2.0
157.10083	1.8
159.08018	3.8
159.11662	1.4
161.09604	5.7
163.06367	0.7
163.07547	6.7
163.11157	20.3
165.09077	1.1
169.10057	1.6
171.08025	1.3
173.09618	4.8
175.11166	1.7
177.09120	0.9
179.10619	3.0
181.12180	2.7
185.09714	1.3
186.48473	0.6
187.11177	0.8
189.09105	1.3
189.11176	3.6
189.12692	1.3
191.10612	4.4
193.12238	14.2
205.26410	0.7
209.11649	6.8
211.13245	1.0
221.11694	0.9
225.11072	1.0
227.12738	10.3
243.17403	2.4
261.18469	2.6
271.16965	4.7
283.15363	100.0
284.15729	1.9
289.17932	22.6
290.18402	0.8
307.18979	5.6
327.19431	1.1
345.20529	0.8
348.83963	0.7
363.21588	8.3
379.21115	1.8
381.22678	73.2
382.22891	3.3
453.24689	1.5
475.26736	1.0
491.26208	0.9
538.10852	0.8
553.31689	1.4
571.32532	14.3
572.33112	1.0
589.33643	89.0
590.33966	6.1
786.33844	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	786.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	24.0
55.05505	53.7
55.36557	3.7
57.03424	19.5
65.03938	8.5
67.05495	84.2
67.62556	4.0
69.03429	10.2
69.07055	32.7
71.04989	10.4
79.05485	85.9
81.03419	18.6
81.07050	78.4
83.01318	8.7
83.04977	20.9
83.08604	49.0
83.82470	3.9
85.02904	9.1
85.06531	5.3
91.05465	66.9
91.05984	6.5
93.07037	89.4
95.04960	55.3
95.08591	55.5
97.02903	8.7
97.06509	23.9
97.10156	13.6
98.22594	9.5
105.07015	54.0
107.04932	34.2
107.08574	42.8
109.06499	18.4
109.10124	25.0
111.04444	8.8
111.08083	8.2
117.07008	26.9
119.08570	48.0
121.06482	17.1
121.10114	39.9
123.08081	11.8
125.09672	5.3
129.06993	14.0
131.08528	22.7
133.06439	5.8
133.10089	30.9
135.08057	9.1
135.11696	28.2
137.05948	4.3
137.09605	11.1
143.08540	12.4
145.06480	8.7
145.10109	46.2
147.08041	8.7
147.11661	26.0
149.09621	27.0
151.11113	5.6
153.12721	6.4
157.10109	6.8
159.11696	14.3
161.09601	5.9
161.13199	9.8
163.11163	59.0
171.11736	12.0
173.09581	7.5
175.11172	5.1
177.12773	7.1
181.12219	8.4
183.11703	7.1
184.07224	4.6
185.13272	4.8
207.13771	7.0
209.11650	5.4
227.12694	21.3
239.17966	5.3
257.18958	10.2
265.14377	5.7
273.18506	4.8
275.20068	68.2
281.17398	11.4
283.15363	100.0
293.21091	7.5
313.21719	4.6
349.23691	58.9
381.26276	15.6
435.27124	5.4
445.02759	5.5
539.33881	6.2
555.36285	7.6
557.34589	97.4
575.35443	17.7
589.37292	64.0
624.43872	6.9
786.35626	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	786.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.8
55.05507	33.7
57.03432	13.0
59.05003	2.1
61.02911	4.0
65.03937	3.1
67.05493	61.1
68.61238	1.5
69.03421	8.1
69.03754	1.3
69.07052	21.5
70.24699	1.5
71.04980	3.7
73.02879	1.6
77.03917	1.5
79.05479	74.0
81.03412	17.6
81.07043	100.0
82.07403	1.4
83.04966	18.0
83.08606	20.9
85.02884	5.1
85.06549	5.0
88.32317	1.3
91.05466	63.3
93.07033	60.3
95.04954	35.2
95.08595	30.0
96.31458	1.3
97.02869	8.7
97.06509	9.1
97.10141	14.7
99.00804	11.4
99.04443	2.3
99.08086	2.6
103.05483	2.6
105.03367	5.1
105.04509	4.1
105.07008	53.5
107.04937	25.0
107.08575	30.8
109.02860	8.0
109.05829	2.2
109.06509	20.6
109.10136	15.4
111.04441	9.4
111.08074	8.5
115.05451	3.7
117.06994	22.9
119.04923	2.4
119.08563	44.8
121.06464	13.0
121.10107	15.2
123.04430	2.9
123.08042	15.5
123.11680	2.9
125.05978	1.6
125.09611	12.3
127.03911	2.7
128.06177	4.9
129.06999	16.0
131.04898	2.0
131.08553	19.3
133.06451	7.6
133.10101	35.5
135.08052	10.9
135.11661	13.9
137.09624	5.9
139.07544	3.6
143.08549	15.7
145.06490	5.4
145.10086	25.9
147.08034	16.3
147.11674	20.8
149.09595	8.0
151.11198	9.0
153.09087	2.6
153.12752	3.2
155.08566	3.0
157.10107	7.4
159.08057	6.0
159.11682	6.9
161.09605	30.0
161.13235	4.3
163.09882	2.8
163.11150	21.6
165.09065	3.1
169.10172	3.1
171.07991	3.5
171.11630	14.7
173.09604	4.0
175.11200	7.3
177.12738	3.9
179.10747	7.5
181.12251	2.9
183.11656	1.7
185.09572	2.7
185.13216	3.8
187.11142	3.6
189.09064	4.0
189.11186	6.2
189.12752	5.5
191.10664	4.3
193.12202	3.9
195.11697	2.0
203.14297	1.7
205.12341	1.7
207.10173	2.5
207.13791	15.3
213.12743	1.6
223.13327	4.0
225.11250	7.5
227.12694	16.7
227.14658	2.0
227.17860	3.1
231.14050	1.9
237.16443	1.8
243.12332	2.6
245.19070	7.2
255.17429	5.1
267.15854	3.3
270.08481	1.6
273.18454	73.2
274.18704	2.7
275.20056	2.6
281.14273	2.2
281.17401	52.8
283.15347	16.6
289.17905	4.0
290.18454	1.6
291.19492	34.0
292.20010	1.5
293.21310	2.0
299.14832	36.5
300.15488	1.6
309.20493	2.1
329.21118	1.9
347.22116	33.9
349.23688	2.8
363.21622	4.0
365.23169	25.5
381.22650	3.0
383.24304	2.8
445.28952	3.0
451.27106	1.8
478.05618	1.8
539.33673	5.1
553.35632	10.8
557.34436	6.0
571.35168	34.8
572.33850	2.1
575.35614	2.4
589.33429	59.5
590.34149	4.2
607.34247	3.3
786.33521	8.4
787.32910	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	786.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
55.05503	19.0
57.03429	13.9
57.07069	2.5
59.04987	4.3
61.02917	3.5
65.03928	4.5
67.05496	100.0
69.03420	3.3
69.07063	12.3
70.56007	1.5
71.04981	5.4
73.95587	0.9
77.70604	1.0
78.69521	1.2
79.05484	37.0
81.03407	10.4
81.07046	53.9
82.07354	1.1
83.04960	4.0
83.08601	8.9
85.02885	7.6
85.06532	3.7
87.04448	1.3
91.05468	27.4
93.07036	36.3
94.86606	1.0
95.04964	9.2
95.08593	41.3
97.02873	3.1
97.06516	5.3
97.10155	4.2
99.04387	1.4
99.08057	1.2
105.04514	1.9
105.07007	19.5
105.07645	1.9
107.04944	8.4
107.07906	1.9
107.08579	20.6
109.06496	5.5
109.10142	55.2
111.04446	1.2
111.08086	3.9
114.22894	1.0
115.05482	1.4
117.06995	7.8
119.08561	16.4
121.06503	5.4
121.10129	17.5
123.04400	1.1
123.08037	3.1
123.11683	4.4
125.09626	2.9
128.06207	1.2
128.46341	1.0
129.07005	2.8
131.08537	11.9
133.10098	8.1
134.22853	1.2
135.08072	1.4
135.11679	11.4
137.09598	4.2
139.11127	1.8
141.06931	2.5
143.08540	3.0
145.10118	8.9
147.11649	6.8
149.09564	1.8
149.13248	6.7
151.11171	1.9
154.07674	1.6
155.08553	1.3
155.10658	3.1
157.10088	2.0
159.08032	1.0
159.11685	8.5
161.09616	1.6
161.13243	4.7
163.11165	1.6
163.14792	2.5
169.10117	3.6
171.11667	2.7
173.11739	16.9
173.13255	5.7
175.11183	1.3
175.14842	2.0
177.12781	2.9
183.11693	1.5
184.07393	2.4
187.11194	4.0
187.14816	2.0
189.11215	2.0
201.16397	1.5
205.12239	2.7
223.13266	11.3
227.12747	4.2
229.14316	63.3
243.21059	5.1
261.22107	17.8
262.22247	0.9
275.19998	2.5
277.21771	1.2
279.15863	3.5
279.22791	1.4
297.16916	25.1
317.24786	3.4
333.24258	2.1
335.25748	76.7
336.26120	3.9
349.23761	1.4
415.32040	1.4
447.32239	1.4
465.33170	1.4
471.34299	1.4
483.34406	1.5
489.30240	1.1
489.35681	30.7
539.37006	3.6
557.38318	18.0
558.38513	1.3
575.39075	2.4
589.40717	1.3
718.89612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13959	0.9
58.06581	1.7
69.25217	4.3
71.04996	1.1
75.04472	3.6
75.50874	1.0
77.03925	3.5
79.05466	2.1
81.03407	1.4
81.07053	1.8
85.02885	1.4
91.05484	3.4
94.06555	1.0
95.04961	17.3
103.05460	1.1
105.03378	100.0
105.04523	5.0
105.07033	2.5
108.08128	2.0
109.06524	2.5
111.08096	3.3
115.05483	1.2
117.07025	2.8
119.04897	1.4
121.06506	1.9
121.64614	1.0
128.06215	1.3
129.07008	3.9
129.60612	0.9
131.08578	2.9
132.08104	1.9
135.07936	1.2
135.10187	1.1
137.05981	2.1
138.09137	6.4
141.06998	2.2
141.09044	1.0
143.08549	1.4
144.08069	2.2
145.06552	1.0
146.03645	1.0
146.05997	1.5
146.09645	1.7
147.04437	1.2
147.08043	1.3
157.06549	0.9
157.66455	1.0
157.67815	1.0
158.09680	2.1
159.08081	1.9
160.07578	8.7
161.09647	1.4
164.10721	1.3
165.07027	1.1
166.49683	1.0
167.08585	1.2
170.09642	2.4
171.07950	1.0
172.11214	2.9
174.05519	2.3
176.07080	1.4
176.10757	1.3
177.05348	1.1
178.07759	2.3
179.08549	2.2
182.09741	1.0
184.11116	1.4
188.07111	1.5
190.07787	2.0
191.08574	3.6
192.09290	1.1
193.06485	1.2
195.08051	1.1
202.07828	2.1
202.12213	1.3
203.08521	2.8
204.13795	6.4
205.10214	3.0
205.78841	1.1
207.08110	1.6
207.11722	1.3
219.08153	1.3
223.11214	1.4
224.10730	1.0
233.09514	4.6
245.09706	1.2
261.09396	2.3
265.12213	1.3
276.13718	0.9
292.13336	1.6
293.11771	1.4
304.13287	1.6
306.98553	1.0
325.14243	1.1
336.15903	2.1
340.19266	2.9
344.22766	1.3
363.71942	1.1
368.18408	1.4
372.22043	2.3
396.18045	6.0
432.23941	1.2
462.22733	3.3
464.20834	1.8
467.15073	1.2
490.22369	2.5
494.25385	1.5
522.24640	5.4
554.27362	5.5
582.27026	1.6
614.29443	25.6
696.26483	1.6
788.31000	89.7
789.31848	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	788.311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76973	0.6
69.09459	0.6
69.10041	3.6
71.04981	1.6
71.58706	0.6
72.29468	0.5
74.06034	0.7
75.04466	3.3
77.03906	3.7
79.05468	2.3
81.07036	1.2
85.02909	1.7
88.07630	1.0
91.05453	2.8
94.06551	2.3
95.04956	16.7
105.03376	100.0
105.04398	7.9
105.07020	1.4
106.03693	1.2
107.04935	0.7
107.07279	1.1
108.08096	1.7
109.06516	2.0
111.08067	4.0
115.05463	1.9
116.24191	0.5
117.05749	1.2
117.07005	2.5
120.08115	1.9
121.06518	1.7
128.06261	1.6
129.07007	4.0
131.08565	2.3
132.08078	2.0
133.02873	0.8
135.08080	1.8
137.06004	1.4
138.09109	5.1
141.06976	1.7
143.08507	0.9
144.08086	2.1
146.03630	1.0
146.05972	0.9
146.09590	1.9
147.04384	1.4
147.08093	1.0
148.07574	1.3
153.06964	1.4
155.08502	0.9
157.08836	1.5
158.09677	2.3
159.08043	2.4
160.07552	9.6
161.05978	0.8
161.09641	0.7
164.10730	2.8
165.05553	1.2
165.06987	2.3
166.07635	0.6
167.07274	0.7
167.08591	2.5
169.06432	0.8
170.09659	2.1
171.10463	0.8
172.11188	2.5
174.05542	1.8
176.06982	1.0
176.10715	0.7
178.07802	1.7
179.08534	2.5
181.10091	0.8
182.09714	0.9
183.08138	0.7
183.10422	1.0
184.11172	0.8
188.07024	1.5
188.10721	0.7
190.07784	2.1
191.08478	3.6
192.09267	0.7
193.10112	1.9
193.11795	0.7
195.08096	0.8
195.11827	0.9
196.11206	0.7
202.07802	1.7
203.08505	3.7
204.09293	1.2
204.13811	5.5
205.10083	4.2
207.08011	1.1
209.09685	1.0
215.08554	1.7
217.10139	2.2
218.07242	1.4
219.08055	1.6
220.08943	0.8
220.11398	0.8
221.09634	1.1
232.08844	0.8
232.11148	1.0
233.09648	3.5
233.11815	0.8
235.07460	0.7
235.11183	1.7
237.09010	0.7
237.12862	1.1
238.12300	0.8
245.09698	1.0
247.11209	0.7
251.10675	1.4
256.25320	0.7
261.09134	2.2
262.12271	0.9
263.10760	0.8
265.12250	0.9
275.10468	0.8
276.13870	1.4
278.11761	0.7
290.11560	0.8
291.12509	1.4
292.13263	1.4
293.11737	1.8
304.13367	1.4
308.16321	0.8
336.15918	3.4
340.19080	3.4
368.18497	0.9
372.21829	2.3
396.17935	5.4
400.21088	1.2
432.23837	1.0
458.19827	0.7
462.22852	3.2
464.20792	1.9
490.22049	2.4
494.25406	1.4
496.22968	1.2
522.24896	5.8
554.27484	4.4
582.27271	1.4
614.29419	28.3
615.29498	3.3
696.26434	1.2
728.29211	1.0
744.31970	1.2
758.81732	0.7
788.31073	96.9
789.31561	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	788.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.09196	0.6
58.06582	1.2
59.50323	0.6
67.05489	0.7
69.03416	1.1
69.22631	3.3
70.06568	1.0
71.04969	1.6
74.06035	0.9
75.04464	4.8
77.03915	2.4
79.05482	2.8
81.03394	1.4
81.07041	2.2
84.02406	0.6
84.08132	0.6
85.02888	2.1
85.06561	0.8
86.31706	0.5
87.04479	0.5
88.07614	0.8
89.59074	0.6
91.05470	2.8
93.07021	0.8
94.06555	3.1
95.04957	16.4
98.23524	1.0
99.04453	0.9
100.07624	0.6
101.05972	1.4
105.03376	100.0
105.04397	6.9
105.07008	1.9
106.03680	1.2
107.04887	0.7
107.07333	1.3
108.08115	3.0
109.06514	2.3
111.08067	6.3
115.05447	1.7
117.05769	1.1
117.07019	2.0
120.08102	1.8
121.06476	1.8
126.09141	0.7
128.06175	1.4
129.06982	5.1
131.07310	0.7
131.08551	2.8
132.08060	2.5
133.02792	0.9
133.08841	0.9
134.09628	1.0
135.08008	1.1
137.05988	1.6
138.09094	5.1
141.06976	3.2
141.09081	0.8
143.08554	1.0
143.86212	0.7
144.05719	0.6
144.08072	1.3
145.06413	0.7
146.05954	1.3
146.09660	2.0
147.04373	1.6
147.08015	1.6
148.07513	1.1
149.05968	0.9
153.06958	1.0
155.08551	0.8
157.08813	1.0
158.09668	1.5
159.08057	2.0
160.07564	9.8
160.11176	0.7
161.05978	0.6
161.09561	1.2
164.10741	2.0
165.06978	1.8
167.08572	1.9
168.08136	0.7
168.10280	0.8
169.06543	0.8
170.09662	2.3
171.10411	0.6
172.11148	3.1
173.05965	0.5
174.05502	1.4
176.07042	1.6
176.10699	0.7
177.05408	1.0
178.07816	1.6
179.08543	2.4
181.10156	0.9
182.09593	1.0
183.08035	0.8
184.11235	1.3
185.09625	0.9
188.06989	1.4
188.10730	1.0
190.07805	2.2
191.08566	2.6
193.10182	1.4
195.08038	1.3
196.11255	1.0
202.07689	2.8
202.12254	1.2
203.08562	2.4
204.09375	0.7
204.13802	7.2
205.10101	4.4
207.08073	1.6
207.11784	0.9
208.11412	1.1
209.09605	1.0
215.08600	1.5
217.10136	2.2
218.07341	1.2
219.08018	1.5
219.11780	0.7
221.09596	1.3
222.12631	0.6
223.11334	0.9
225.09129	0.8
231.07986	0.8
233.09657	3.5
235.07639	0.9
238.12372	0.7
245.09644	1.6
247.07443	0.8
247.11179	0.9
248.14395	0.7
249.09123	1.3
250.12318	1.2
251.10622	1.4
261.09061	2.0
262.09656	0.8
262.12326	1.2
263.10663	1.3
265.12228	0.9
274.12085	0.6
275.10562	0.7
276.13834	1.0
278.11743	0.8
282.14868	0.8
291.12640	1.1
292.13199	1.4
294.14871	0.8
304.13513	1.7
308.16492	1.4
312.62183	0.6
312.65741	0.6
325.14240	1.0
336.15820	2.9
340.18930	3.8
354.17056	0.6
368.18600	1.2
372.21820	1.9
396.18051	5.1
400.21320	1.9
430.20221	0.7
432.23813	1.3
458.19608	1.3
462.22519	2.9
464.20667	2.0
486.17487	0.7
490.21988	3.1
494.25180	1.8
496.23431	1.5
522.24573	4.6
554.27441	5.2
582.27246	2.1
614.29498	38.9
615.29956	2.4
696.26447	1.4
788.31061	88.1
789.31378	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	788.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	15.4
55.05504	32.7
57.03440	17.6
61.02924	4.5
65.03924	5.2
67.05495	59.0
69.03421	9.4
69.07060	26.3
69.11697	12.3
71.04986	9.2
72.36880	1.9
73.02901	3.3
77.03917	2.8
79.05478	51.8
80.05808	2.0
81.03403	40.5
81.07048	100.0
83.04973	16.3
83.08616	27.0
85.02895	15.9
85.06543	3.3
90.86948	2.3
91.05473	65.3
92.24565	2.4
93.07033	47.0
95.04958	32.5
95.05527	2.9
95.08601	26.1
97.02886	8.3
97.06509	19.3
97.10146	10.5
99.00812	7.5
99.04470	3.6
99.08060	2.5
103.05459	3.0
105.07011	45.0
107.04940	17.8
107.08579	27.9
109.02868	10.3
109.06503	24.0
109.10149	16.3
111.04444	8.6
111.08055	11.3
115.05481	2.9
117.06992	15.5
119.08572	35.9
121.06484	19.3
121.10114	15.4
123.04427	6.8
123.08070	9.1
123.11686	8.2
125.09612	10.2
129.05481	2.1
129.07021	8.7
131.08551	17.2
133.06488	4.7
133.10107	40.7
135.08006	12.4
135.11678	10.2
137.06006	2.5
137.09604	9.6
139.07516	19.4
141.06931	2.5
142.07745	3.4
143.08568	6.9
145.06421	5.3
145.10094	13.5
147.08046	6.5
147.11661	18.7
149.09595	9.0
149.13283	3.8
151.11192	8.5
151.63327	2.3
157.10144	9.2
159.08058	4.7
159.11702	3.2
161.09566	13.2
161.13179	3.4
163.07561	3.1
163.11145	10.9
165.12794	5.8
171.08046	4.1
173.09590	3.0
175.11200	12.0
177.09090	2.7
179.10680	7.5
181.12178	3.9
189.09174	5.8
189.11169	8.1
191.10744	3.5
193.12210	32.6
209.11592	3.3
211.13222	18.9
223.13113	2.2
225.11267	4.4
227.12798	7.8
239.17749	2.8
257.18970	4.5
258.55679	2.1
261.18573	2.8
267.15884	20.2
273.18695	3.2
275.20016	30.0
281.13779	2.3
283.15399	8.8
285.16962	31.8
286.78281	2.2
289.17941	25.2
291.19427	5.4
291.46774	2.1
293.21036	10.5
299.14841	54.0
307.19012	12.0
349.23734	19.7
354.79083	2.3
363.21780	6.4
365.22958	3.9
367.24707	17.9
381.22656	29.2
382.23160	3.0
384.12939	2.3
495.00302	2.2
555.32733	5.4
559.35199	2.5
569.22382	2.2
573.34143	60.1
574.33887	4.2
591.35175	96.5
592.35834	4.7
788.34644	4.0
789.35150	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	788.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	18.1
55.05507	43.7
57.02522	2.5
57.03431	19.8
57.98367	2.2
59.04995	3.6
61.02916	4.3
65.03933	3.3
67.05499	53.1
69.03419	7.7
69.07053	28.4
69.96227	5.2
71.01331	2.2
71.04977	6.2
73.02872	2.5
77.84326	1.9
79.05033	4.2
79.05482	66.7
81.03406	48.8
81.07044	86.7
83.01328	7.2
83.04967	27.9
83.08619	27.9
85.02887	16.8
87.14822	2.0
91.05471	49.1
93.07032	52.1
95.04953	41.2
95.08605	21.7
97.02895	7.1
97.06510	10.2
97.10150	26.5
99.04435	5.1
99.08094	3.3
105.07030	31.2
107.04939	17.4
107.08591	37.8
109.02841	3.1
109.06504	18.6
109.10135	8.6
111.04432	13.5
111.08083	12.8
115.05418	5.1
117.07018	17.9
119.08577	34.2
121.06506	12.3
121.10139	20.4
123.08058	26.5
123.11684	2.7
123.53439	2.2
125.06007	2.4
125.09605	23.6
129.06966	14.1
130.07770	2.8
131.08592	15.0
133.06477	3.1
133.10106	20.4
135.08067	14.4
135.11667	20.2
137.09584	7.7
139.07544	2.5
142.07748	2.4
143.08543	8.9
145.06482	6.0
145.10115	23.7
147.08049	11.9
147.11700	7.7
149.09598	8.2
153.09123	5.9
153.12704	7.2
155.08557	2.3
157.10115	10.0
159.08000	4.6
159.11641	5.7
161.09596	12.8
163.11163	40.8
165.09158	4.6
165.12732	2.6
171.11626	3.5
173.09596	9.0
175.11124	11.2
177.12692	3.8
181.12247	9.1
183.11613	2.8
188.16949	2.4
189.11223	15.1
191.10675	7.7
193.12213	30.5
209.11723	5.9
211.13228	28.4
211.15106	2.9
227.12720	30.7
245.19038	3.8
249.14828	3.2
261.18372	2.6
267.15790	8.2
268.02209	2.4
271.16562	2.5
273.18433	36.3
283.15341	100.0
285.16919	24.5
289.17981	9.4
291.19501	80.9
309.20493	9.6
311.19965	4.3
329.21149	4.0
347.22009	14.4
363.21509	5.0
365.23282	33.5
367.11804	2.1
381.22552	32.1
383.24448	11.3
393.61826	2.2
432.48578	2.4
444.64197	2.3
453.24472	2.9
463.28192	2.5
481.29495	3.0
537.31366	2.5
555.33142	19.4
573.34106	59.0
574.34186	4.2
591.35187	93.0
592.35590	4.2
782.26123	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	788.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.9
55.05251	3.2
55.05505	44.9
57.03434	15.1
59.04989	3.3
61.02909	2.9
65.03938	2.5
66.12292	1.6
67.05498	48.5
69.03419	8.1
69.07056	22.8
69.66828	4.2
71.01338	3.2
71.04987	7.7
79.05479	50.4
81.03403	23.6
81.07042	55.1
83.01342	2.5
83.04963	19.4
83.08604	37.2
85.02897	8.9
85.06524	5.5
91.05465	55.6
93.07030	52.7
95.04955	66.1
95.08596	25.8
97.02888	7.2
97.06521	12.6
97.10150	11.4
99.00806	15.8
99.04443	4.6
103.05485	2.2
105.03390	7.2
105.07020	44.2
107.04923	21.7
107.08576	38.0
109.02874	6.0
109.06510	15.4
109.10128	19.7
111.03776	1.8
111.04419	11.2
111.08070	7.8
115.03940	3.8
117.07016	16.8
119.08565	30.1
121.06477	13.9
121.10127	23.2
123.04430	2.9
123.08073	10.0
123.11665	5.9
125.09618	11.7
127.03882	3.8
128.06224	3.2
129.06992	5.6
131.08553	19.5
133.06480	6.3
133.09167	3.4
133.10118	48.2
133.11140	2.4
135.08031	7.7
135.11661	10.3
137.06004	4.2
137.09608	4.2
139.07547	3.5
139.11171	2.5
143.08537	10.4
145.06480	3.2
145.10123	19.3
147.04350	2.2
147.08032	11.5
147.11681	7.6
149.09590	25.0
151.11133	14.6
153.12769	1.9
155.08560	3.1
157.10094	4.8
159.08009	4.1
159.11682	9.5
161.09595	20.6
161.13249	3.5
163.11160	26.9
165.12744	2.5
171.08098	2.9
171.11621	2.9
173.09561	2.5
173.13243	2.0
175.11153	3.0
177.12698	4.7
179.10640	6.7
181.12241	3.1
187.11174	3.9
187.14836	1.8
189.09190	10.4
189.11029	8.6
189.12663	2.5
191.10620	3.0
193.12149	10.7
197.11557	2.5
205.12253	3.1
207.10127	2.7
211.13271	8.6
223.13246	26.1
225.11166	9.4
227.12877	5.0
227.17870	2.2
229.19469	2.8
239.17967	2.4
243.12224	2.3
257.18964	5.9
267.15817	3.7
273.18469	7.2
275.19998	43.3
281.13843	4.9
283.15369	17.6
285.16980	8.0
289.17993	2.3
291.19547	7.6
293.21057	34.5
294.21353	1.9
299.14841	100.0
300.15228	3.4
323.15897	1.6
347.22211	4.0
349.23602	21.1
353.45148	1.8
363.21420	1.9
365.23016	5.2
367.24728	37.3
381.22626	4.7
493.27399	2.4
555.33221	5.8
573.34125	37.0
574.34210	4.1
591.35205	95.2
592.35333	7.7
788.32611	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	788.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.3
55.05501	30.1
57.03431	10.0
58.06586	1.7
61.02920	3.1
65.03912	2.1
67.05495	43.0
69.03416	6.9
69.07056	18.3
69.56003	6.6
69.56355	2.6
71.04976	6.5
73.02914	1.9
79.05481	55.7
81.03403	15.8
81.07043	70.8
83.01357	1.6
83.04971	15.6
83.08606	19.5
85.02892	6.8
85.06531	3.5
91.05465	29.6
93.07030	61.5
95.04955	25.8
95.08591	46.4
97.02887	7.5
97.06494	11.0
97.10154	20.0
99.04453	5.6
99.08096	2.8
103.05489	2.1
105.03360	2.1
105.04518	2.8
105.07005	24.3
106.74664	1.4
107.04950	19.2
107.08579	43.2
109.06502	11.3
109.10155	9.9
111.04440	10.2
111.08054	7.8
115.05400	2.2
117.07006	21.9
119.08553	27.4
121.06495	12.3
121.10121	23.0
123.04417	2.0
123.08056	17.8
125.05978	4.3
125.09615	16.0
129.06987	7.4
131.08542	13.3
133.06485	3.6
133.10117	13.6
133.38429	1.7
135.08028	9.2
135.11676	56.2
137.09615	4.9
139.07475	2.5
139.11078	1.7
142.07802	1.9
143.08536	6.1
145.06429	2.3
145.10101	45.7
147.08003	12.0
147.11676	5.2
149.09619	6.5
149.13261	1.9
153.09160	2.5
153.12726	7.1
155.08502	4.1
157.10124	6.3
159.07993	2.1
159.11647	4.3
161.09639	9.1
163.11157	76.2
165.09106	3.0
169.10097	2.2
171.11700	3.7
173.09598	6.0
175.11115	5.5
177.12747	2.8
179.10657	1.9
181.12210	16.0
189.11145	9.9
189.12677	1.9
191.10680	1.8
193.12198	5.8
209.11746	5.6
211.13254	3.8
223.13295	4.7
227.12738	95.8
228.13060	3.2
245.18903	3.6
267.15778	2.7
273.18457	32.8
275.19879	2.3
283.15356	100.0
284.15839	3.2
285.16888	3.5
289.17786	4.2
291.19516	58.8
292.19925	2.7
302.71811	2.1
309.20544	7.1
329.20917	2.4
347.22156	17.1
365.23154	44.4
366.23599	2.6
383.24158	20.9
453.24786	3.6
555.33136	15.0
573.34131	73.8
574.34216	4.4
591.35181	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.1
55.05503	31.2
57.03432	18.5
59.04979	2.9
61.02910	4.6
65.03938	4.9
67.05153	3.3
67.05498	56.9
69.03426	5.3
69.06761	2.0
69.07068	21.8
71.04977	14.3
79.05482	55.5
81.03406	48.1
81.07049	100.0
82.07364	2.7
83.04969	13.4
83.08611	28.3
85.02895	15.4
85.06544	5.2
91.04928	4.2
91.05466	52.5
93.07034	45.0
94.07327	2.2
95.01313	2.0
95.04958	31.2
95.08588	33.6
97.02890	6.3
97.06503	9.7
97.10141	7.3
99.04449	2.3
99.08066	5.1
105.04550	2.6
105.07009	48.7
107.04931	16.4
107.08580	22.7
109.06499	28.4
109.10142	13.4
109.40572	1.9
111.04427	8.7
111.08099	12.1
113.05975	2.8
113.09601	2.5
117.06999	11.9
119.08562	32.6
121.06464	9.5
121.10136	22.3
123.08071	11.8
123.11668	5.5
125.09591	5.8
129.06978	8.4
131.08565	25.3
133.06441	4.4
133.10117	25.6
135.08040	7.1
135.11668	7.2
137.09575	5.7
141.06963	2.2
143.08522	6.0
145.10094	19.0
145.40305	2.2
147.07999	5.1
147.11661	22.4
149.09598	13.0
149.13216	3.7
151.11128	4.7
157.10123	12.5
159.08090	2.3
159.11646	8.5
161.13303	3.7
163.11140	8.9
163.14777	2.3
165.12714	3.4
169.10066	4.1
171.11678	3.1
172.71707	2.3
173.09584	2.9
173.13252	5.1
175.11168	6.3
177.12733	3.1
179.14275	3.3
183.11729	3.0
184.07384	3.2
193.12207	22.3
197.13249	3.0
211.13277	29.3
219.17386	6.5
247.20384	2.5
257.18961	5.1
267.15866	41.4
273.18408	2.6
275.20053	57.6
283.15363	5.1
285.16907	40.0
291.19537	3.5
292.19177	3.0
293.21045	4.4
307.22604	10.8
349.23740	39.5
381.26453	24.8
439.26489	2.6
541.35162	82.2
542.35522	3.2
559.36243	45.9
560.36041	3.3
573.36493	2.8
577.36896	7.1
591.39001	44.3
592.38501	2.6
594.42407	2.3
788.36053	3.0
788.49432	4.7
789.39063	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	788.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	7.9
55.05505	27.0
57.03434	17.4
57.07083	1.6
57.43654	1.4
61.02918	3.2
65.03932	4.3
65.52625	1.6
67.05500	54.3
69.03425	6.8
69.07064	24.6
69.67818	2.6
69.68214	2.7
70.99148	1.5
71.04982	12.0
73.02928	2.0
74.63299	1.6
79.05115	1.1
79.05485	57.5
81.03407	64.5
81.03893	3.3
81.07046	84.5
83.04967	15.7
83.08607	34.6
85.02892	18.7
85.06539	5.0
91.05469	59.1
93.07033	47.0
93.85944	1.5
93.86557	1.5
95.01293	2.2
95.04961	35.8
95.08591	32.9
97.02895	4.6
97.06516	14.0
97.10167	5.8
99.04404	2.3
99.08118	3.3
105.04524	2.2
105.07016	56.0
106.07347	1.5
107.04948	18.8
107.08582	30.0
109.02867	2.1
109.06509	21.0
109.10139	13.5
111.04430	4.3
111.08067	12.6
113.06010	2.6
113.09655	1.9
115.05383	3.4
117.07006	15.1
119.08566	45.2
121.06544	8.4
121.10126	19.5
123.08055	9.5
123.11699	3.9
125.09637	3.6
129.06952	9.8
131.08551	29.8
131.09464	2.8
133.06493	4.1
133.10109	34.6
135.08043	7.6
135.11668	7.9
137.09607	6.7
137.13278	1.7
142.07722	4.0
143.08556	4.5
145.10097	15.2
147.08037	5.1
147.11656	24.2
149.09592	15.1
149.13234	4.4
151.11205	7.3
155.08582	4.2
157.10133	14.9
159.11702	11.1
161.09662	3.3
161.13211	4.8
163.11131	10.5
163.14764	2.1
165.12711	4.7
167.08534	1.8
169.10179	2.5
171.11707	2.2
173.09653	3.0
173.13243	4.4
175.11182	11.8
177.12733	3.7
178.75746	1.6
179.14331	3.5
183.11665	2.0
187.11174	2.3
187.14780	2.3
193.12209	35.2
197.13213	1.8
211.13242	36.5
211.15071	2.9
219.17462	4.2
227.12747	3.2
229.19490	2.6
230.15363	2.1
239.17990	3.7
247.20520	4.2
253.14342	7.0
257.18976	4.9
267.15866	47.0
275.20035	57.4
276.20389	1.8
283.15329	2.8
285.16934	66.5
286.17239	1.8
291.19458	2.1
292.19055	5.6
293.20990	6.2
301.16537	2.1
307.22696	4.2
333.24380	1.5
349.23672	40.9
350.23764	3.2
353.32004	1.7
365.22934	1.6
367.24878	1.9
381.22006	1.8
381.26392	21.3
412.76331	1.6
467.31592	2.0
541.35156	100.0
542.35248	7.9
559.36194	42.7
573.37219	3.7
577.37579	9.9
591.38959	36.1
592.39081	2.9
602.43164	1.5
788.48853	6.6
789.37665	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	788.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.3
55.21780	1.3
57.03429	2.2
57.07077	5.1
58.06594	57.2
63.16401	1.3
65.03909	1.5
66.85351	1.3
67.05496	14.1
69.03413	2.7
69.07061	11.7
71.08618	1.6
73.91473	1.6
74.15233	1.5
77.69109	1.3
79.05489	11.8
81.03405	9.2
81.07049	18.3
83.04977	5.3
83.08598	8.1
85.02927	1.7
91.05466	10.8
93.07037	12.6
95.04988	4.7
95.08588	13.2
97.05926	1.4
97.06523	3.0
97.10188	4.9
98.23465	4.3
105.07050	6.0
107.08577	7.9
109.06522	1.7
109.10173	6.0
111.08141	2.0
117.07019	3.3
119.08601	4.9
121.10115	3.6
123.08051	1.7
123.11740	1.9
125.06016	2.8
131.08595	3.8
133.10118	4.2
135.11716	3.4
145.10204	3.0
147.11691	2.3
149.09586	2.3
153.05501	2.1
159.11732	3.4
173.13281	1.7
175.11224	2.3
187.11195	1.9
193.12354	3.0
229.01225	1.5
234.08481	1.4
235.07446	3.0
247.07639	5.8
251.07047	4.9
252.07715	2.0
253.08646	2.7
261.22165	1.6
262.06314	4.1
263.06989	7.6
264.07919	2.5
267.06503	3.8
267.15881	10.6
275.07040	9.9
276.07996	2.2
277.08472	9.6
278.05835	4.3
278.09467	2.1
279.06610	1.5
280.07187	11.7
281.08170	5.2
282.08966	2.6
283.09644	3.5
287.06775	1.5
291.06665	2.2
293.08023	11.3
295.09653	3.2
299.10748	1.4
306.08936	2.8
307.09711	5.8
309.09366	1.6
313.12357	1.8
325.08438	2.0
327.10077	1.5
335.25815	10.5
339.10260	4.9
341.11832	3.1
352.11115	1.7
352.15475	2.1
353.11792	2.4
356.10504	1.5
367.09570	9.9
368.10550	3.0
369.11484	8.9
381.11319	2.3
383.12912	5.6
384.10110	1.6
385.10605	1.9
395.09106	11.7
397.10519	1.7
399.12427	2.5
399.98666	1.7
400.13385	3.0
401.13730	8.7
409.11066	2.1
410.11591	3.9
411.11963	1.8
427.11694	10.1
429.13318	4.5
489.35687	2.4
527.37512	5.5
545.38568	2.5
707.42859	11.7
725.44397	9.5
726.45044	1.5
752.48993	3.0
770.50159	7.7
788.50836	100.0
789.51556	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	790.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	21.3
55.05500	49.5
57.03433	22.0
59.04970	5.8
65.03918	5.8
67.05492	83.3
69.03416	7.0
69.07050	26.9
71.04961	7.2
79.05479	92.4
80.05817	7.6
81.03412	39.9
81.07044	100.0
82.07375	9.6
83.01339	6.1
83.04964	28.9
83.08607	33.2
85.02890	13.2
85.06538	6.8
91.05470	78.0
93.07034	86.8
94.07353	5.9
95.04396	7.4
95.04956	77.1
95.08579	30.1
96.05277	5.2
96.08903	3.9
97.02900	7.2
97.06510	18.8
97.10152	26.8
98.23445	8.7
99.04438	8.0
105.03393	4.1
105.04504	4.8
105.07008	45.2
106.07385	6.7
107.04931	33.9
107.08577	53.4
108.05276	5.0
108.08911	5.9
109.06508	31.0
109.10136	20.2
110.06825	4.7
111.04430	32.2
111.08084	13.7
117.07001	26.7
118.07334	4.4
118.74493	3.6
119.04984	3.6
119.08543	49.1
120.08891	4.2
120.16238	4.2
121.06494	18.3
121.10120	42.3
123.04441	5.9
123.08054	20.4
123.11672	5.2
123.31081	3.9
124.08326	4.0
125.05977	6.8
125.09599	24.3
129.06985	13.5
129.66481	3.7
130.73366	3.6
131.08522	26.6
133.06491	6.9
133.10100	24.8
135.08018	21.7
135.11647	32.8
143.08540	6.7
145.06494	8.4
145.10104	43.1
146.10428	5.4
147.08015	9.3
147.11685	13.4
149.09601	32.1
153.09055	3.7
153.12718	9.8
155.08504	7.4
157.10176	4.6
159.11702	9.2
161.09650	9.3
163.07533	4.0
163.11145	60.5
164.11522	6.7
165.09032	5.4
169.10146	4.4
173.09644	16.2
175.11073	7.2
177.12698	7.8
181.12273	20.8
189.11206	12.9
191.10629	16.0
193.12248	6.9
202.26379	4.3
207.06548	4.3
209.11719	10.4
211.13223	7.7
223.13342	21.2
227.12766	19.7
228.13107	7.1
240.05388	4.6
265.14276	63.8
267.15945	4.9
273.18472	15.1
274.18777	9.3
275.20016	33.2
276.20291	4.2
283.15366	79.2
284.15759	22.6
285.16373	16.3
291.19492	29.5
292.19836	16.6
293.20920	26.9
301.16415	53.2
309.20605	5.0
349.23749	18.6
356.04767	4.5
365.23233	13.1
366.23587	7.6
367.24567	26.2
477.27969	6.5
539.33911	7.6
557.34637	37.6
558.34448	5.0
574.33978	6.6
575.35406	73.7
592.35242	9.1
593.36487	64.8
791.38165	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	790.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	14.5
55.05259	3.1
55.05505	44.4
55.31294	2.3
57.02552	2.7
57.03436	20.8
57.07047	2.7
61.02914	2.8
65.03941	4.8
67.05495	60.1
69.03423	12.3
69.07058	29.0
69.09311	17.9
71.04987	8.8
79.05109	1.5
79.05479	75.3
81.03408	90.9
81.07047	100.0
83.04971	29.0
83.08611	44.1
85.02893	32.0
85.06534	4.5
91.05472	66.6
93.07035	55.8
95.04953	55.1
95.08591	31.1
97.02872	7.1
97.06521	13.9
97.10170	21.5
99.08109	3.9
102.33794	2.4
105.04511	3.2
105.07011	50.5
107.04945	24.3
107.08572	32.8
109.06517	18.7
109.10166	15.9
111.04420	12.9
111.08094	16.1
115.05451	5.1
117.07020	19.6
117.64500	2.2
119.08562	48.0
121.06505	9.7
121.10107	24.7
123.08037	25.3
123.11681	5.0
125.05988	2.8
125.09585	19.2
129.05511	2.5
129.06993	23.6
131.08537	30.3
133.06497	8.9
133.10123	25.5
135.08034	12.6
135.11688	11.0
137.09595	8.8
142.07761	4.2
143.08549	9.7
145.06462	5.6
145.10127	19.7
147.08029	16.9
147.11678	24.2
149.09589	17.9
151.07484	3.0
151.11171	3.8
153.09116	4.4
153.12685	4.9
155.08633	5.4
157.10129	27.1
159.08009	3.8
159.11650	6.1
161.09677	12.2
163.11151	19.7
165.09113	4.5
165.12721	8.1
171.11684	5.4
173.09615	8.4
175.11145	22.8
181.12247	7.5
189.11258	12.9
189.12740	4.2
191.10664	7.6
193.12218	46.1
203.10812	2.5
209.11713	3.8
211.13255	72.7
213.16295	3.2
217.19601	2.6
223.13309	5.2
227.12715	22.4
227.32191	2.8
245.18860	3.2
255.17514	7.8
267.15884	34.1
273.18472	43.8
275.19806	3.5
283.15424	10.3
285.16934	79.8
286.17279	4.1
291.19504	59.8
301.16254	2.5
309.20630	9.3
347.22134	21.2
365.23215	50.1
371.96121	2.4
383.24240	19.0
465.29944	4.6
477.28329	4.2
483.31088	4.6
539.33191	9.1
557.34747	47.0
558.35095	5.6
575.35712	90.5
576.35785	3.7
593.36761	38.9
594.36243	3.6
791.36951	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	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.5
55.05504	43.5
57.03425	17.7
59.04997	2.2
61.02917	3.1
65.03941	4.4
67.05495	63.3
69.03412	8.9
69.07056	27.1
71.04982	8.3
73.02898	1.8
79.05480	68.9
81.03405	68.4
81.07044	100.0
83.04966	27.6
83.08603	39.2
83.09084	2.3
85.02891	27.2
85.06546	3.9
88.00446	1.5
91.03949	1.7
91.05469	58.6
93.06443	2.8
93.07028	49.8
95.01331	1.8
95.04953	44.9
95.08584	29.6
97.02905	5.7
97.06507	10.8
97.10161	31.2
99.04422	3.1
99.08108	2.7
103.05479	1.5
105.04487	4.1
105.07013	41.5
107.04948	19.4
107.08578	27.6
109.06511	17.3
109.10126	15.2
110.87441	1.5
111.04424	19.4
111.08064	16.8
111.44713	1.8
113.06026	3.1
115.05433	3.6
116.06247	1.8
116.75290	1.5
117.06999	14.6
119.04905	2.5
119.08558	46.3
121.06491	12.9
121.10127	23.3
123.08043	29.8
123.08869	1.9
123.11663	2.6
125.09612	23.6
128.06247	2.6
129.06989	17.6
131.08539	27.1
133.06468	7.1
133.10106	20.9
135.08035	10.8
135.11693	11.7
137.09615	6.2
139.11150	2.6
141.07010	2.4
142.07799	4.9
143.08563	7.1
143.54961	1.8
145.06427	3.6
145.10089	18.8
147.08037	14.6
147.11658	20.1
148.11946	1.6
149.09605	14.1
149.13277	2.0
153.09093	3.8
153.12697	7.8
155.08533	2.3
156.09218	1.8
157.10095	20.5
159.08076	2.5
159.11629	6.9
161.09593	10.4
163.11147	22.4
165.09138	4.6
165.12831	3.6
169.10144	1.7
171.10269	2.1
171.11729	5.3
173.09602	4.9
173.13205	2.4
175.11139	19.3
177.12750	2.1
181.10234	1.3
181.10707	1.6
181.12148	8.7
185.13324	2.8
187.11174	1.9
189.11192	19.2
189.12744	2.6
191.10686	5.7
193.12210	48.9
199.11230	1.9
205.12250	1.8
209.11644	3.5
211.13257	59.5
212.13579	2.3
213.16522	2.0
219.24921	1.8
223.13124	7.0
227.12733	27.5
227.17799	2.9
245.18910	4.0
249.14825	3.5
255.17474	3.9
267.15866	25.4
273.18448	47.7
274.18900	2.1
278.18506	1.5
283.15326	5.2
285.16922	73.6
291.19498	83.2
292.19775	3.3
309.20505	8.9
347.22086	12.7
349.01273	1.5
365.23215	45.5
366.23590	2.4
383.24286	21.8
395.33194	1.9
437.25104	1.9
455.26184	4.0
465.29987	2.5
483.31158	3.5
539.33636	5.6
557.34674	34.5
558.34827	2.7
575.35675	55.6
576.35956	4.9
593.36719	31.2
594.36517	2.9
772.99860	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	32.7
55.05503	68.5
57.03428	26.1
57.07069	5.2
59.05023	1.9
61.02923	10.2
65.03940	5.1
67.05498	63.1
67.06767	1.9
69.03414	12.1
69.07053	26.9
70.17110	5.6
70.78745	1.9
71.01324	2.1
71.04975	7.1
71.09554	1.9
73.02912	6.2
77.03933	2.5
79.05477	68.9
81.03403	30.7
81.07045	69.8
82.04202	4.4
83.01324	2.8
83.04968	30.9
83.08121	3.3
83.08604	44.7
85.02885	12.9
85.06531	6.5
91.03920	3.2
91.05470	52.3
93.07031	57.3
95.04958	100.0
95.08593	34.0
96.05235	2.5
97.02888	9.7
97.06532	14.5
97.10151	25.3
98.07307	7.4
99.04433	5.2
99.08099	4.0
105.04497	3.9
105.07015	41.3
107.04943	20.7
107.08572	45.8
107.09234	3.6
109.06494	11.5
109.10154	21.2
111.04439	16.5
111.08045	10.7
116.04667	17.4
116.05322	1.9
117.05479	2.2
117.06962	17.0
119.08568	39.3
119.97161	1.9
121.06499	11.2
121.10133	27.6
123.08045	13.3
123.11703	4.3
125.09605	32.4
127.03948	2.5
129.05458	41.1
129.06996	8.9
131.08546	26.4
133.06464	3.0
133.10110	28.4
135.08066	10.0
135.11687	19.6
137.09631	8.2
139.11182	3.8
141.06984	2.5
143.07031	8.5
143.08601	3.8
145.06467	3.2
145.10091	28.5
147.08099	10.0
147.11665	17.7
149.09592	34.6
151.11156	5.5
153.09091	3.5
153.12778	3.1
155.08507	3.3
157.08592	18.8
157.10097	7.1
159.08040	2.6
159.11658	13.5
161.09610	9.3
161.13208	5.0
163.11157	47.4
165.12775	7.6
167.10657	4.1
169.10089	4.0
171.10149	6.7
171.11588	4.7
173.09644	2.6
173.11745	3.4
173.13269	3.0
175.11142	6.5
177.12726	6.8
181.12181	5.5
183.11774	2.8
185.08054	2.0
185.13217	3.3
187.11215	3.8
189.11191	18.9
189.12750	3.5
191.10626	4.7
191.14252	3.0
193.12215	7.7
195.13654	2.7
199.13261	8.2
199.14842	2.4
200.13904	2.7
205.12189	5.7
207.13948	2.0
209.11729	7.1
211.13252	8.8
223.13249	50.3
223.15244	4.3
227.12718	14.7
229.14247	3.0
229.19557	3.3
239.17943	5.7
247.20490	3.1
257.19003	12.1
267.15961	12.7
273.18475	5.0
275.20020	69.5
275.22888	3.9
276.20496	3.2
283.15353	11.4
285.16678	2.5
291.19440	8.7
293.21060	46.4
300.15054	2.2
301.12979	4.7
301.16425	98.4
302.16272	2.3
349.23706	26.7
367.20065	2.6
367.24707	47.3
367.31851	2.3
368.25311	2.3
380.15308	2.7
467.18628	9.9
521.34253	3.4
541.35242	3.6
557.34332	4.7
559.36115	6.1
575.35541	30.8
576.35925	6.0
593.36731	87.6
594.36908	5.2
791.37982	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.6
55.05252	2.6
55.05502	36.2
57.03432	21.2
57.07067	4.1
61.02916	5.0
64.50775	1.4
65.03926	4.3
66.04726	1.7
67.05494	64.9
69.03409	6.6
69.07059	31.3
71.04987	6.6
73.02895	6.3
79.05479	60.5
80.69436	1.3
81.03412	18.4
81.07044	100.0
82.04193	3.9
83.04972	15.1
83.08619	22.2
85.02893	7.1
85.06537	4.6
85.13990	1.3
91.05466	51.8
93.07033	42.7
95.04955	31.6
95.08594	29.6
97.02875	7.8
97.06514	14.2
97.10155	13.1
97.73934	1.3
98.07297	5.0
98.22606	3.3
99.04408	3.3
99.08086	4.1
103.05440	1.7
105.04501	3.0
105.07015	39.3
107.04951	17.1
107.08570	32.3
109.06502	30.6
109.10140	18.3
111.04440	4.3
111.08070	9.9
116.04690	10.4
117.07008	13.9
119.08561	36.3
121.06477	8.8
121.10127	20.1
123.04408	2.1
123.08049	14.3
123.11674	7.7
125.05986	2.3
125.09614	15.6
127.07504	1.7
127.11246	1.8
129.05460	28.7
129.07004	6.1
131.08533	18.8
133.06464	4.2
133.10107	27.1
135.08034	9.7
135.11673	12.5
135.98853	1.5
137.05942	1.4
137.09598	6.2
143.07033	4.4
143.08513	3.6
145.06477	2.3
145.10095	16.8
147.08018	5.2
147.11664	25.8
149.09595	13.3
149.13225	8.4
151.11157	4.6
153.09056	3.2
153.12737	3.0
155.08487	3.1
157.08592	14.5
157.10109	6.7
159.11668	11.1
161.09616	3.4
161.13182	3.9
163.11172	16.9
165.09082	2.5
165.12733	8.0
167.10635	1.6
169.10095	3.1
171.06461	2.1
171.10170	3.4
171.11649	1.9
173.09612	4.2
173.11824	3.2
173.13293	6.0
175.11188	6.4
175.16864	1.6
177.12701	3.4
181.12222	1.7
185.11714	2.6
185.13245	2.0
187.11189	4.1
189.11218	7.1
189.12714	2.6
191.10658	3.3
193.12181	9.6
195.13742	2.2
197.13249	2.4
199.13284	4.9
200.14049	3.8
201.12680	2.6
207.13846	2.0
209.11722	4.3
211.13284	5.1
219.17416	1.6
223.13278	2.9
227.12831	7.0
229.14381	4.1
229.19353	2.6
233.19078	1.6
239.17889	2.2
247.20580	4.0
253.14407	3.3
255.15921	1.9
257.18954	4.2
267.15817	11.5
269.17444	4.1
273.18430	5.6
275.17038	2.6
275.20026	54.5
283.15320	15.8
285.16949	4.2
291.19443	6.3
293.20990	14.7
300.66388	1.4
301.16406	67.4
302.16818	2.0
349.23660	25.0
365.23291	2.9
367.24701	27.6
375.80597	1.7
473.32217	1.7
503.33563	2.0
504.76257	1.7
541.35138	4.2
544.80640	2.2
557.34784	8.6
558.34363	1.8
559.35992	4.0
565.40802	1.5
575.35724	46.7
576.36005	4.7
593.36755	53.5
594.36859	3.0
782.66968	1.5
790.36786	3.6
791.37561	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	791.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.1
63.82399	0.8
67.05481	1.3
69.03400	2.9
69.32846	4.9
70.06578	1.3
79.05476	2.1
80.05006	1.0
81.03405	1.9
81.07038	2.5
82.75807	0.8
85.02892	3.8
91.05466	3.8
93.03384	2.5
93.07027	1.5
94.06541	5.3
95.04945	2.3
95.07339	1.8
96.08108	4.1
97.02883	4.0
99.04452	1.4
103.05459	1.4
103.27264	1.0
105.03372	2.3
105.04529	1.3
106.06535	1.3
107.04899	1.3
107.07327	1.3
108.04455	4.0
108.08081	5.9
109.02876	1.4
109.10137	0.8
110.01470	0.9
110.09645	5.7
117.07004	1.4
118.06499	1.7
120.04442	4.1
120.08092	6.0
121.06511	1.1
122.06002	6.5
123.04391	1.4
123.45477	0.9
124.07579	10.1
127.03955	1.6
134.05998	3.1
136.07536	6.2
137.05922	2.1
138.09132	10.4
145.06351	1.3
146.05986	72.9
147.06319	1.3
148.07521	5.2
149.05920	1.5
150.09126	2.6
151.07539	1.0
152.07037	3.8
155.08598	1.1
158.09610	1.0
161.05905	1.2
162.05464	1.3
163.07510	1.2
164.07051	3.0
166.08620	18.1
166.09981	1.0
167.06981	4.7
172.03899	5.1
173.06027	1.4
175.07538	1.3
177.05438	2.8
178.12190	1.6
181.04926	3.5
190.04922	17.8
191.06985	2.1
191.26846	1.0
197.10664	2.0
199.12311	1.2
209.08025	1.1
209.10725	1.6
210.11386	1.3
211.08652	3.7
211.12224	1.0
212.09464	1.2
215.11732	1.0
218.50182	1.0
223.12157	1.6
224.09360	1.4
225.10262	6.1
226.10797	1.2
227.11732	11.9
237.10193	2.6
238.10995	2.8
239.11705	2.9
241.09731	1.4
241.13329	2.0
251.11705	3.1
253.09570	1.2
253.13321	5.3
255.11334	1.1
264.09039	1.4
269.12851	5.5
271.10736	3.5
271.14368	8.5
273.12274	2.4
278.10147	1.1
279.11148	1.7
281.12799	4.0
283.10666	2.8
284.11456	2.7
285.12350	8.4
286.12921	2.9
287.05408	3.2
287.13837	22.8
295.10440	1.3
297.12299	8.0
299.13852	100.0
300.14124	4.8
307.09732	1.0
311.13956	1.1
314.13083	2.3
315.13782	2.0
316.14337	4.3
321.12247	2.0
323.10123	2.7
325.11725	4.0
328.14221	1.8
330.15970	5.2
331.16678	5.8
336.52814	1.0
339.13354	1.1
342.12354	1.7
342.15958	1.3
343.12851	3.6
344.13596	1.0
356.13858	3.1
357.14706	1.2
358.15393	5.0
360.17328	1.1
372.17096	4.1
373.17593	3.8
378.18015	9.1
384.13040	1.2
390.18085	8.8
398.14972	7.8
399.15799	6.4
402.17993	3.4
414.18097	5.4
416.15866	3.6
420.19122	10.1
432.13406	1.9
432.19116	36.8
433.19302	2.8
440.15601	1.3
446.16928	1.3
458.17084	7.4
461.19113	6.4
466.22528	1.0
476.16644	1.2
487.17053	2.5
524.10205	1.0
557.27240	1.0
567.25568	2.9
585.26984	50.7
586.27319	5.8
593.23077	1.3
611.24902	22.5
612.24768	1.8
629.25385	1.6
649.59637	1.2
747.32166	2.0
773.30432	7.3
791.35870	1.3
792.33771	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	791.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.05509	4.4
57.03432	2.2
59.04982	0.6
61.02918	4.4
67.05492	6.7
68.05824	0.9
69.03407	2.7
69.07063	3.4
71.04987	1.1
73.02902	2.5
79.05479	7.5
80.05847	0.5
81.03407	4.7
81.07042	8.2
82.07390	0.9
83.04987	2.2
83.08598	3.0
83.52708	0.5
84.59378	0.6
85.02878	4.5
85.06519	0.7
91.03948	1.8
91.05467	5.8
92.05793	0.7
93.07023	7.2
94.07390	0.6
95.04955	4.2
95.08576	4.2
96.08920	0.5
97.02873	4.1
97.06540	1.7
97.10172	1.6
98.23527	0.7
99.04459	1.3
101.02377	1.0
105.03429	0.6
105.07018	4.0
107.04951	2.2
107.08580	5.9
109.02901	1.7
109.06534	2.2
109.10181	1.5
111.04437	1.4
111.08087	1.9
116.73493	0.5
117.06980	2.3
119.08555	4.0
121.06506	1.8
121.10105	2.8
123.08081	1.2
125.09605	1.0
127.03951	1.4
129.06944	1.0
131.08565	1.9
133.06503	0.6
133.10150	2.1
135.08073	1.4
135.11664	5.6
135.74261	0.6
137.09637	1.1
139.07524	0.6
145.04921	0.5
145.10110	3.9
146.10503	0.7
146.89047	0.5
147.11678	1.6
149.09657	1.6
153.12749	0.7
157.10150	1.0
159.11678	0.5
161.09615	0.6
163.11172	7.2
164.11563	0.5
173.09685	0.7
181.12201	1.2
193.12199	1.3
194.12550	0.7
209.48851	0.5
210.12015	0.6
211.13242	1.2
223.13300	0.6
227.12715	4.6
243.08307	6.0
249.10934	6.7
250.11310	0.6
265.14215	0.7
266.14676	0.6
267.16016	0.9
268.16257	0.7
275.20093	2.4
276.20428	1.0
283.15314	2.7
284.15717	1.1
285.16992	1.0
293.21146	1.1
301.09000	1.0
301.16519	1.5
302.16794	0.7
305.13776	2.5
347.18289	0.9
349.23776	1.1
350.24094	0.7
367.24588	0.6
383.24509	1.2
384.24893	0.7
439.19434	0.6
467.18860	13.6
539.21448	1.1
557.35107	1.1
558.35095	2.1
565.26190	6.6
575.35645	1.4
576.35834	2.3
592.68066	0.5
593.36707	1.2
594.36865	2.6
595.26959	0.9
665.31720	0.6
791.38049	100.0
792.38293	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	791.3816
Annotation	Bishassanidin
Peak:m/z	Relative Intensity
55.01873	1.5
55.05507	2.6
57.03429	2.5
59.05013	0.3
61.02919	5.8
63.16584	0.3
67.05505	2.9
69.03423	4.1
69.07056	2.5
70.12717	0.3
71.01345	0.4
71.04988	1.1
73.02906	3.6
79.05487	4.1
81.03413	3.0
81.07049	4.8
82.07407	0.5
83.01346	0.7
83.04977	1.7
83.08609	1.6
85.02892	5.4
85.06538	0.4
91.03935	3.0
91.05478	3.1
93.07032	3.9
95.04964	1.8
95.08601	1.4
96.05374	0.3
97.02884	4.7
97.06525	0.8
97.10192	1.0
99.04430	1.4
101.02368	2.1
103.03946	0.3
103.05449	0.3
105.03419	0.4
105.07002	2.2
107.04974	1.1
107.08590	2.4
108.08920	0.4
109.02898	1.2
109.06530	1.4
109.10181	0.8
109.85307	0.3
111.04436	0.5
111.08082	0.7
115.03957	0.5
117.07017	1.3
119.08559	2.0
121.06534	0.8
121.10148	1.1
123.08083	0.8
125.09644	1.1
127.03898	1.6
129.05464	0.4
129.07010	0.4
131.08575	0.7
133.10101	1.7
135.08073	0.9
135.11658	1.5
137.09686	0.4
143.08534	0.5
145.10100	2.5
147.08038	0.5
147.11690	0.4
149.09688	0.6
153.09181	0.3
153.12769	0.5
155.08575	0.3
157.10130	0.3
161.09657	0.6
163.11151	2.5
173.09677	0.6
181.12276	0.6
185.04285	1.1
189.11194	0.3
191.10645	0.6
193.12285	0.4
203.05351	0.4
209.11699	0.6
227.12784	0.3
239.12881	0.3
243.08360	4.3
243.10547	0.4
249.11017	0.4
270.91742	0.3
275.20078	0.4
283.15500	1.0
289.17993	0.4
301.08908	0.6
301.16614	0.7
305.13681	0.6
313.09085	0.5
347.18335	0.8
349.23880	0.5
369.15256	0.6
439.19440	0.9
467.18829	9.7
468.19339	0.6
479.19281	0.4
539.20911	0.6
565.26111	5.3
566.27087	0.4
576.36279	0.8
594.37628	0.5
595.27283	0.6
596.09698	0.4
640.49103	0.4
665.30933	0.4
692.50336	0.3
693.31799	0.4
791.38062	100.0
792.38574	8.7
792.50909	0.2
792.53412	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.05505	5.9
56.14051	0.6
57.03433	4.4
58.81797	0.7
61.02925	5.5
65.03946	1.1
67.05496	15.0
68.05841	2.1
69.03426	4.2
69.07063	5.7
69.66382	1.4
69.66737	1.7
71.05003	2.9
73.02920	3.2
79.05482	12.1
79.05872	0.9
80.05843	1.2
81.03413	5.7
81.07044	12.9
82.03760	0.8
82.07391	1.4
83.04986	2.6
83.08616	4.1
85.02892	6.4
85.03349	0.7
85.06541	0.6
91.03962	3.4
91.05461	12.1
91.05965	0.8
93.07032	9.6
93.51181	0.7
94.07362	1.3
95.04958	5.6
95.08595	6.9
96.08947	1.2
97.02893	4.5
97.06549	2.0
97.10178	1.4
99.04472	1.4
101.02417	2.0
105.03400	0.8
105.07019	7.0
107.04990	2.7
107.08563	6.1
109.02908	2.3
109.06519	2.9
109.10152	6.5
110.10472	0.9
111.04478	0.9
111.08104	2.1
117.07023	3.1
119.08566	5.1
120.08956	0.9
121.06535	1.7
121.10159	3.0
123.08092	1.6
125.09656	3.0
127.03891	1.5
128.06277	0.7
129.07050	2.5
131.08533	3.5
133.06503	0.9
133.10094	5.4
134.10452	0.9
135.08104	2.1
135.11723	2.1
137.09645	1.3
145.10196	3.1
147.08055	1.2
147.11665	3.6
149.09683	1.4
157.10205	1.0
159.08066	0.9
159.11755	1.8
161.09579	1.3
161.13252	1.6
163.11215	1.2
163.62561	0.8
171.11723	1.6
173.11768	1.1
173.13179	1.1
175.11220	1.1
176.11545	0.8
189.12764	1.0
193.12302	1.6
227.12738	1.4
229.14401	1.2
243.08366	4.2
247.13184	1.4
267.16006	1.2
275.20111	1.5
276.20529	1.1
283.15488	1.4
284.15891	1.3
285.17026	1.3
286.17358	1.0
287.18454	0.9
289.17963	0.8
291.19611	1.2
331.18594	0.8
337.30350	0.7
349.19986	2.4
350.23923	1.0
369.15475	0.7
442.58685	0.9
465.20850	8.9
467.18924	0.8
469.82535	0.7
518.32013	1.6
536.33356	2.9
537.23615	1.0
543.33929	0.9
544.33698	1.6
549.26733	1.2
561.34296	1.5
562.34546	3.4
567.28064	3.1
575.35693	1.1
576.36115	1.5
594.37628	2.5
676.43921	0.8
791.41138	100.0
792.41595	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	792.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.6
58.87688	0.3
59.05030	0.3
61.02916	0.9
62.22014	0.3
65.03928	0.5
68.04994	0.4
69.03419	4.0
70.06580	100.0
70.22126	0.6
70.22449	0.3
71.04972	0.9
71.06916	0.7
73.02898	0.4
80.80074	0.3
81.03408	3.7
81.07018	0.3
81.77241	0.3
83.01328	0.4
83.04972	0.4
85.02888	4.8
87.04501	0.3
93.07053	0.3
95.04952	0.4
97.02881	9.8
98.03191	0.4
99.04438	1.2
103.03938	0.4
104.25181	0.3
105.03390	0.5
107.08617	0.3
109.02859	6.2
112.07585	91.3
113.07936	1.1
116.07098	2.0
119.04974	0.5
121.02850	3.6
127.03893	3.1
131.04941	0.4
137.02357	0.4
140.07039	69.4
141.07388	0.8
145.02901	0.5
145.04924	3.1
147.04398	0.9
153.01802	1.0
158.08098	10.8
165.01785	0.5
175.03806	0.4
177.05450	1.1
200.09094	0.5
207.06459	0.8
212.09108	0.4
224.09134	0.3
230.10159	1.0
242.10191	0.7
251.10631	0.5
266.10190	3.6
279.10199	1.5
280.10413	0.9
284.11240	14.3
285.11417	0.4
287.05457	23.6
288.05588	0.9
288.08759	0.5
294.12457	2.9
295.09543	1.0
295.12738	2.0
296.09903	0.9
302.12228	2.2
310.11810	1.7
311.12244	0.7
325.14337	3.2
326.14584	2.1
329.06537	3.2
342.16904	0.9
343.17111	0.6
353.06274	0.5
365.15292	0.3
377.06204	0.6
395.07260	0.8
407.77652	0.3
460.30444	0.3
579.10840	0.4
588.16992	1.5
792.32660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.96817	0.2
57.03406	0.5
58.51738	0.2
61.02917	0.6
68.05032	0.3
69.03422	3.8
70.06580	100.0
70.33374	0.3
70.33701	0.3
71.04977	0.3
71.06911	0.7
73.02902	0.6
79.05500	0.2
81.03399	5.7
85.02884	2.8
91.05517	0.2
95.04923	0.2
95.08593	0.2
96.14725	0.2
97.02885	2.5
99.04447	1.1
109.02860	6.2
110.83360	0.2
112.07584	88.2
113.07946	1.3
115.03907	0.3
116.07075	2.0
119.04903	0.2
121.02852	1.9
123.08010	0.2
127.03902	2.9
133.02840	0.3
135.04280	0.3
137.02335	0.3
140.07036	65.1
141.07352	0.7
145.04907	0.6
147.04349	0.5
153.01796	0.7
158.08102	9.3
165.01854	0.6
175.03853	0.2
187.05977	1.6
196.56729	0.2
200.09169	0.3
200.43558	0.3
202.62935	0.2
207.06506	0.4
212.09114	0.3
213.05479	0.6
230.10213	0.9
231.06412	0.3
241.05023	0.5
242.10220	1.0
254.95245	0.2
260.11139	0.4
266.10202	2.9
275.27750	0.2
284.11240	15.0
285.11554	0.4
287.05447	29.2
288.05783	1.1
302.12219	2.1
311.05453	0.5
329.06464	3.3
349.07077	0.3
353.06406	0.5
377.06381	0.9
395.07501	0.8
552.14673	0.3
588.16833	2.5
630.34100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
57.03429	0.7
57.51004	0.5
61.02921	2.3
69.03419	31.1
70.06582	100.0
70.79343	0.6
71.04975	1.8
71.06913	0.8
81.03407	13.8
83.01309	0.9
83.04996	0.5
85.02892	24.8
93.98676	0.6
97.02881	28.0
97.06506	0.6
99.04446	8.3
107.04966	1.6
109.02863	66.6
110.03170	0.8
112.07589	90.5
113.07921	1.4
115.03890	0.5
116.07075	1.8
121.02853	2.1
127.03897	36.6
137.02325	1.5
139.03893	3.8
140.07042	65.5
140.28795	0.5
141.07405	1.0
145.04935	8.7
147.04460	0.7
153.01785	0.7
158.08102	11.2
166.04964	0.8
169.04948	5.4
175.03850	0.7
177.05415	0.5
187.05991	7.8
205.07048	11.7
207.06432	0.9
212.09081	0.6
242.10162	1.3
266.10141	4.0
279.10190	0.9
284.11230	12.3
287.05472	13.2
288.05856	0.6
294.12424	1.8
295.09344	0.7
302.06558	1.5
302.12207	1.3
310.11710	0.7
325.14285	1.7
329.06476	2.7
377.06317	0.8
410.92535	0.7
451.22620	0.6
534.38782	0.5
582.05725	0.5
588.16565	1.2
608.16693	0.7
696.47137	0.6
710.51617	0.7
792.35620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.4
55.05529	0.9
57.03429	1.9
58.06591	1.6
60.08156	1.0
61.02919	3.1
63.40986	0.8
67.05473	1.0
67.76413	0.8
69.03426	11.2
69.07061	0.9
70.06567	1.2
71.04981	2.2
71.44070	1.2
73.02916	2.6
77.03925	1.2
79.05495	1.9
81.03410	6.4
81.07039	1.1
85.02894	14.2
86.09692	1.7
87.04472	2.5
91.03956	0.9
91.05476	1.7
93.07047	1.1
95.04966	7.7
95.08612	1.9
96.08103	1.0
97.02873	9.4
99.04424	1.4
104.10751	3.5
105.03384	51.0
105.04542	3.3
105.07015	1.2
107.04971	1.4
107.08588	1.1
108.08134	1.4
109.02881	4.9
109.06506	1.0
112.07601	1.7
115.05482	1.1
117.06982	1.3
119.04968	1.0
120.08128	1.5
121.06499	0.9
122.09695	0.9
124.07647	1.0
127.03915	5.0
131.05006	1.1
131.08580	1.3
133.10201	1.1
137.06059	1.4
138.09161	2.2
140.10669	2.4
145.02898	1.1
145.05055	1.0
146.06024	3.1
147.04420	1.2
147.10452	4.0
148.11186	7.7
152.10765	1.7
160.11267	0.9
163.07605	1.2
167.07066	2.1
172.11249	1.4
177.05504	3.4
178.12238	10.2
179.08612	1.4
181.05002	1.4
184.07303	1.2
200.04192	1.0
200.10748	1.6
203.08687	1.4
204.13844	0.9
205.10216	1.5
209.09845	0.9
218.07356	1.0
224.10916	1.3
233.09773	1.5
238.12372	1.8
252.13881	3.4
256.13293	1.2
280.13440	3.2
284.16519	2.4
287.05573	3.2
299.13980	3.4
300.14200	1.5
312.15958	7.0
338.17563	1.2
344.18417	1.3
356.18515	1.2
368.13214	1.0
379.18320	1.3
392.20523	1.1
402.17255	2.8
432.19009	1.7
433.19821	1.1
434.14670	0.7
434.19604	19.0
434.25098	1.3
435.19769	1.2
460.21271	1.2
462.19556	1.3
466.22186	17.4
478.22406	2.0
493.15997	0.8
494.21674	15.9
495.22141	1.0
496.23709	1.2
506.22284	1.6
520.23486	3.0
538.24475	4.1
554.23700	2.3
587.28937	1.1
598.26581	1.2
612.26306	1.8
630.27167	0.9
700.29156	2.4
732.32117	16.2
748.10144	1.1
792.34198	100.0
793.34351	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	792.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.4
55.05502	12.5
57.03427	10.9
58.99658	0.9
59.04977	0.9
61.02919	1.3
65.03939	1.2
65.50926	1.0
67.05490	23.6
69.03420	3.8
69.07053	18.1
71.01318	0.9
71.04981	3.6
78.17193	0.9
79.05477	25.0
81.03402	100.0
81.06564	1.4
81.07039	28.4
81.07495	2.1
82.03725	1.8
83.04956	10.0
83.08607	8.9
85.02880	3.6
85.94875	1.1
91.05463	31.5
91.68225	1.0
93.07026	23.5
95.04958	11.5
95.08587	10.3
97.02857	5.1
97.06506	4.9
97.10153	9.9
99.00772	1.7
99.04459	1.4
105.04486	1.4
105.07006	12.9
107.04939	6.9
107.08572	13.3
109.02839	3.3
109.06499	6.7
109.10112	7.6
111.04430	4.8
111.08065	3.8
115.03924	1.5
115.05437	1.9
117.07005	7.5
119.08557	28.5
121.06467	10.5
121.10126	6.2
123.04450	3.2
123.08054	5.8
123.11636	1.5
125.05969	1.4
125.09618	7.1
128.06171	2.4
129.06995	5.4
131.08586	5.3
133.06464	3.0
133.10110	8.5
135.04373	1.2
135.08011	11.1
135.11664	4.0
136.17175	1.1
137.05925	1.1
137.09586	20.8
139.07561	1.4
141.06967	1.2
143.07002	1.1
143.08537	4.3
145.06471	3.3
145.10092	4.3
147.08018	9.0
147.11682	2.0
149.09601	4.0
151.11191	2.4
153.09126	2.0
153.12717	6.8
155.08530	2.5
157.06499	1.9
157.09966	1.3
159.08000	4.1
159.11671	1.8
161.09607	3.7
163.07552	4.1
163.11134	7.3
165.09096	19.1
171.08133	1.4
171.10127	1.5
171.11620	1.7
173.09558	2.2
175.11124	1.5
177.09117	2.9
179.10632	2.4
181.12236	3.7
183.11732	1.1
189.11189	4.6
191.10664	5.0
193.12221	6.3
205.12236	1.1
211.13332	1.2
215.10783	1.2
221.11737	1.3
227.12631	6.6
235.09544	2.1
239.12733	69.6
243.17387	1.1
261.18509	2.9
263.16400	1.2
267.15927	1.4
271.14957	1.1
271.17178	1.8
273.18625	1.8
283.15292	19.2
289.17972	7.0
301.17926	3.2
307.18839	1.5
319.18982	1.3
329.21585	1.0
355.19058	1.8
363.21613	5.1
381.22678	24.4
403.21338	1.4
426.00204	1.3
429.22495	1.7
431.24203	1.5
435.24747	1.8
447.23633	19.0
453.26053	2.2
465.24649	11.8
471.27158	2.5
509.28711	1.2
527.29944	45.1
528.30316	3.6
545.30994	57.3
546.31311	4.5
563.31964	2.7
577.33472	4.2
595.34735	1.6
673.64801	1.2
792.37878	3.2
793.39551	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	792.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.7
55.05508	39.2
57.03432	17.6
61.02922	5.1
65.03938	5.3
67.05152	6.4
67.05495	99.2
69.03414	11.5
69.07063	27.4
69.49448	7.6
71.04982	26.9
79.05482	57.6
79.05939	4.1
79.47635	2.8
81.03406	37.2
81.07046	100.0
83.04974	18.5
83.08611	28.2
85.02907	9.5
85.06555	5.8
91.05463	53.7
93.07031	52.9
95.04964	38.7
95.08590	30.8
97.02853	5.6
97.06522	13.6
97.10155	20.4
99.08092	3.7
105.03381	61.1
105.04486	6.6
105.07018	33.1
107.04932	17.2
107.08573	41.8
109.06498	17.8
109.10146	54.6
111.04415	15.4
111.08059	12.1
115.05446	3.5
117.07005	17.4
119.08573	38.9
121.06492	14.8
121.10153	18.5
123.04468	3.4
123.08073	18.5
123.11705	6.4
125.09587	19.4
129.06998	11.7
131.08556	20.6
133.06499	4.9
133.10135	21.9
135.08032	11.5
135.11685	24.7
137.09633	16.9
141.07082	3.1
143.08488	6.1
145.06459	3.2
145.10089	24.4
147.08041	14.9
147.11688	16.2
149.09595	13.5
149.13237	4.9
151.11183	5.3
153.09050	3.7
157.10101	13.5
159.11716	4.8
161.09634	7.6
163.11186	20.7
168.43539	3.4
171.11618	3.8
173.09645	4.4
173.11748	7.5
173.13202	5.6
175.11180	7.0
181.12271	6.8
189.11238	6.2
190.19835	2.9
193.12259	14.2
211.13246	6.2
227.12801	22.6
229.14355	10.5
243.15950	3.3
249.85060	3.0
253.14267	4.1
255.15891	10.6
257.19055	3.5
267.15851	42.4
273.18362	20.1
275.20020	13.5
287.18423	24.2
291.19470	38.1
293.21201	4.1
309.20563	3.6
347.22263	6.4
349.23547	10.2
365.23041	17.0
367.24768	11.3
383.24268	5.2
501.31876	13.6
519.33154	43.5
527.33514	6.2
533.34290	6.3
537.33716	5.5
541.35101	21.4
545.34796	39.0
551.36578	3.8
559.36346	33.7
563.35803	24.2
577.37384	18.6
588.26160	4.2
595.37909	12.0
648.27899	32.5
792.27112	4.9
792.39056	6.8
793.39838	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	792.488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.2
55.05294	1.7
55.05502	20.3
57.03424	10.2
57.07038	1.7
60.36798	1.5
65.03930	2.6
65.24966	1.4
67.05151	2.9
67.05493	40.8
69.03416	2.9
69.07050	8.8
69.92448	1.4
71.04978	2.4
73.54871	1.5
79.05481	49.0
81.03400	4.5
81.07043	64.8
83.04953	4.1
83.08608	6.8
91.04934	2.3
91.05466	30.2
93.07028	44.2
93.93971	1.6
95.04956	11.7
95.08599	21.8
97.02865	3.6
97.06532	2.5
97.10142	5.0
100.64400	1.3
102.55528	1.8
105.04505	2.4
105.07006	20.6
107.04942	11.0
107.08560	15.2
109.02849	4.1
109.06497	16.0
109.10122	10.5
111.04433	1.9
111.08037	2.6
115.05402	2.6
117.06982	9.5
119.08553	17.6
121.06456	3.5
121.10149	14.9
123.04447	2.2
123.08035	3.4
123.11733	1.6
125.09611	4.5
129.06989	3.7
131.08595	8.6
133.06522	2.7
133.10097	13.1
135.04506	1.3
135.08023	16.8
135.11650	9.4
136.90474	1.3
137.09622	2.1
143.08540	6.1
145.06488	3.2
145.10068	7.7
147.07983	2.8
147.11667	4.1
149.09550	2.3
149.13214	4.0
151.11148	2.1
155.08488	2.1
157.10136	2.2
159.08015	4.9
159.11674	3.4
161.09590	5.6
163.07562	3.1
163.11172	2.0
165.09250	1.6
169.10101	1.8
173.09552	3.4
173.13278	3.0
179.10680	8.0
183.27249	1.8
189.09050	2.9
215.18011	4.3
233.18924	3.1
243.17409	5.2
261.18307	3.7
271.16867	6.3
289.17950	23.8
291.19516	2.9
307.19180	2.4
307.22604	46.9
308.22974	1.5
335.25592	2.1
363.17053	1.8
363.21579	34.6
364.21899	1.5
595.39819	100.0
596.40472	10.5
598.94385	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
55.05509	14.3
57.03434	8.6
57.07055	1.8
57.94771	0.8
59.24999	0.7
61.02906	2.3
65.03928	2.9
67.05495	60.6
69.03410	1.0
69.06699	1.1
69.07056	13.0
69.48295	0.8
70.30017	1.9
71.04974	1.7
72.76192	0.7
73.34370	0.8
77.03950	1.3
79.05484	38.0
79.40580	0.8
81.07047	51.0
83.04962	1.5
83.08602	7.2
85.02892	3.2
85.06518	1.0
89.77563	0.8
91.05468	22.5
93.07031	39.2
95.04963	7.1
95.08594	37.2
97.06480	2.4
97.10147	3.6
99.08083	1.3
105.04518	1.8
105.07015	18.7
107.08582	19.8
109.06498	1.5
109.10136	14.1
111.08068	1.1
115.10238	0.9
117.07022	5.1
119.08562	12.1
121.10139	16.7
123.08067	1.3
123.11685	7.5
125.09617	0.8
129.07004	1.7
131.08553	10.5
133.10106	10.7
135.11664	10.9
137.13222	2.2
140.09955	0.7
143.08557	1.6
145.10109	6.3
147.11678	7.7
149.09514	0.9
149.13243	7.5
150.83133	0.8
151.14838	1.1
157.10100	1.6
157.85788	0.8
159.11679	8.4
160.79301	0.8
161.13260	6.9
163.14807	2.9
171.11650	2.2
173.13278	4.8
175.14786	3.2
177.16284	0.9
185.13237	1.3
187.14813	3.3
189.16307	1.1
199.14766	1.2
201.16399	1.5
214.65387	0.8
215.17944	1.0
227.18105	1.1
241.19463	2.6
243.20995	4.5
245.22702	0.9
252.00883	0.8
259.20563	6.1
261.22122	16.6
262.22418	1.1
263.23688	1.8
267.39539	0.8
315.23013	1.1
317.24658	3.3
333.24258	5.4
335.25757	100.0
336.26080	2.9
337.27383	10.3
503.42828	1.1
521.43512	1.8
531.32965	0.8
595.47192	13.9
613.48090	8.9
634.38245	1.0
645.33057	1.1
734.35168	0.9
747.70142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	26.9
55.76541	1.2
56.28065	1.4
57.03427	15.0
57.07059	4.0
61.02907	6.4
65.03929	4.5
67.05493	100.0
68.65565	1.2
69.03410	2.2
69.06702	2.5
69.07056	24.0
71.04969	2.3
71.34478	1.5
73.02930	1.4
77.03938	1.4
79.05480	60.8
79.05940	3.6
81.03405	1.6
81.07045	86.9
83.04975	3.2
83.08605	10.4
84.24535	1.5
85.02898	4.5
91.04934	2.8
91.05471	37.4
93.07034	63.8
95.04971	10.4
95.05492	2.0
95.08591	67.4
96.08934	1.9
97.02837	2.6
97.06519	3.4
97.10136	3.9
100.38670	1.6
105.04517	3.9
105.07008	27.7
107.08572	33.1
107.09254	2.9
109.06495	3.1
109.10130	26.6
111.08048	2.0
113.09614	1.8
117.07005	9.8
119.08558	23.5
121.10134	23.7
123.08033	1.7
123.11675	6.1
128.90941	1.4
129.06960	2.5
130.07716	2.0
131.08548	16.5
133.10101	16.5
135.11670	16.2
137.13237	1.7
139.81326	1.3
143.08577	2.2
145.10098	14.2
147.11655	12.3
149.13219	8.8
157.10085	1.7
159.11655	9.6
161.13249	8.0
163.11121	1.5
163.14789	3.6
171.11620	2.8
172.72969	1.3
173.13223	9.6
175.14783	4.3
177.16232	1.6
185.13290	2.6
187.14760	4.7
192.00385	1.5
199.14766	1.5
201.16365	1.9
241.19518	4.5
243.21045	6.4
259.20590	6.4
261.22131	18.5
317.24512	2.8
333.24072	5.7
335.25748	90.9
336.26086	3.8
337.27356	8.6
383.38058	1.7
521.43250	1.8
595.47107	13.4
613.48474	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	793.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	13.9
69.07045	0.1
69.27036	0.6
70.03724	0.1
81.03372	0.1
85.02885	0.2
95.08573	0.2
97.02877	100.0
98.03207	1.1
98.22656	0.3
107.08553	0.1
115.03910	0.3
121.02847	0.2
127.03902	0.2
139.03877	30.9
140.04193	0.4
149.23071	0.1
155.83324	0.1
157.04941	14.5
199.05991	3.8
199.07825	0.2
259.08142	0.7
287.05466	2.5
299.05515	0.3
337.06821	0.2
365.06439	0.7
383.07477	0.4
433.32825	0.1
522.52246	0.1
545.12384	0.5
752.23962	0.1
793.34998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
60.97423	0.5
67.05495	2.9
69.07074	1.4
71.04999	0.7
71.62170	0.7
74.79071	0.6
77.50059	0.5
79.05486	3.0
81.03416	1.8
81.07059	4.6
83.04968	0.9
83.08607	0.9
85.02893	1.1
91.05465	3.4
93.07031	3.4
95.04945	1.9
95.08595	2.4
97.02892	1.4
97.10143	0.6
99.04408	0.6
105.07004	1.6
107.08588	2.5
109.06561	1.1
109.10140	1.3
115.28388	0.5
117.06974	0.7
119.08586	1.8
121.06444	0.7
121.10155	0.9
123.08081	1.6
127.56660	0.5
129.05455	0.6
131.08575	1.0
133.10143	1.2
144.09848	0.6
145.10098	1.1
145.30913	0.7
149.09593	0.7
184.07408	0.6
186.97159	0.6
193.12267	0.7
194.08771	0.5
252.45303	0.6
265.07190	0.6
267.15982	0.7
283.15399	1.1
301.16501	1.0
302.16870	0.8
349.16782	1.1
374.01599	0.7
501.16748	0.7
567.25598	0.8
687.24347	0.7
761.39948	0.7
775.38098	1.3
793.37646	100.0
794.38232	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	793.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.9
61.02927	4.0
62.56953	0.6
67.05500	4.6
69.03428	2.9
69.07067	2.4
71.01369	0.7
71.05012	1.2
73.02921	2.8
79.05483	4.9
81.03403	5.1
81.07056	5.3
83.04972	1.5
83.08607	3.3
85.02888	3.1
91.03960	1.6
91.05468	3.6
93.07056	5.8
94.37794	0.5
95.04961	6.3
95.08611	2.0
96.05337	0.7
97.02898	3.5
97.06556	1.1
97.10184	1.8
98.22699	1.8
99.04446	1.3
101.02372	1.2
103.85431	0.6
105.03399	7.6
105.04506	0.8
105.07043	2.4
106.03750	2.1
107.04975	1.9
107.08606	2.7
109.02952	0.8
109.06508	0.9
109.10154	1.4
111.04485	1.8
111.08057	1.3
117.07042	1.2
119.08569	3.0
121.06528	1.9
121.10154	1.9
123.08061	1.7
125.06007	0.7
125.09626	1.5
127.03914	0.6
129.07045	1.2
131.08543	1.0
133.06461	0.7
133.10185	1.2
135.08084	0.8
135.11673	3.6
137.09618	0.6
143.08528	0.7
145.10106	2.9
146.46146	0.6
147.11781	0.9
149.09642	1.1
163.11159	5.4
181.12234	0.8
185.04298	0.9
193.12209	1.0
227.12715	3.0
241.19710	0.8
243.08313	4.0
249.10944	6.8
267.15997	2.7
268.16281	1.9
275.20062	0.7
301.08966	1.1
305.13699	1.9
349.19986	1.3
367.24841	1.1
369.15247	0.9
373.10883	0.8
390.30658	0.6
393.15015	0.7
451.19241	0.7
467.18848	9.8
497.20187	0.8
539.21136	1.2
560.36853	2.8
567.27753	6.7
589.26233	1.0
648.27856	1.1
649.28473	4.8
677.31085	0.9
793.39722	100.0
794.40155	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	793.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.1
61.02924	5.2
67.05491	3.6
69.03417	3.3
69.07062	2.4
69.76207	0.9
69.76559	1.1
71.01338	0.7
71.04995	1.2
73.02906	3.7
79.05473	3.8
81.03406	5.3
81.07055	4.7
83.04981	1.7
83.08612	1.4
85.02896	5.2
91.03957	2.6
91.05465	3.9
93.07033	4.2
95.04955	2.7
95.08610	1.9
97.02877	5.1
97.06537	1.3
97.10213	1.2
98.23399	0.7
99.04452	1.0
101.02384	1.7
105.03383	1.1
105.07014	2.5
107.04948	1.1
107.08598	2.1
109.02900	1.1
109.06503	1.1
109.10155	0.6
111.04426	1.0
111.08062	0.7
115.03944	0.9
117.07026	1.1
119.08561	2.3
121.06540	1.0
121.10143	1.2
123.08053	1.1
125.09629	1.0
127.03922	1.3
129.06995	0.7
131.08565	1.1
133.10144	1.8
135.08104	1.0
135.11707	1.1
137.09605	1.0
145.10136	0.9
146.34241	0.5
147.08083	0.7
147.11696	0.7
153.12659	0.5
157.10092	0.9
163.11182	1.5
185.04297	0.8
193.12244	1.2
243.08369	4.0
251.12479	1.1
267.16019	0.7
289.17923	0.5
349.19797	0.6
369.15323	0.6
439.19165	0.8
442.67300	0.6
449.24695	0.6
467.18848	3.5
469.20285	4.1
485.19180	0.5
497.19846	0.6
539.21082	0.6
549.26245	0.5
555.28961	0.6
560.37036	1.0
565.26135	4.1
567.27844	2.2
600.48322	0.5
649.28296	0.6
695.32477	0.6
793.39673	100.0
794.39929	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	793.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.2
61.02909	4.3
67.05502	4.9
69.03428	2.5
69.07059	2.2
71.04996	1.0
73.02919	3.5
79.05484	3.7
81.03401	3.5
81.07048	5.2
82.09743	0.4
83.04977	1.8
83.08620	1.5
85.02891	4.3
91.03961	2.1
91.05476	3.8
92.05820	0.5
93.07024	3.5
95.04945	3.0
95.08622	2.1
97.02882	4.5
97.10194	0.5
99.00786	0.5
99.04454	1.2
101.02377	1.6
101.88652	0.5
105.03410	1.1
105.07029	3.2
107.04965	0.9
107.08566	2.3
109.02905	0.5
109.06512	1.7
109.10159	1.5
111.08067	0.5
111.52396	0.5
115.03917	0.5
117.07040	1.3
119.08582	1.9
121.06492	1.0
121.10130	1.2
126.91193	0.4
127.03933	1.7
129.07028	0.8
131.08603	0.6
133.06561	0.6
133.10109	2.8
135.08076	0.9
135.11682	1.4
145.10133	1.4
147.08110	0.6
147.11726	0.9
149.09645	1.0
151.11183	0.7
159.11736	0.6
161.09506	0.5
163.11197	0.8
173.09663	0.6
179.10628	0.6
185.04211	1.1
189.09300	0.8
189.11069	0.6
203.05312	0.5
243.08299	2.5
251.12663	0.7
265.10434	0.6
267.15958	0.8
275.19876	0.5
291.15656	0.5
301.08911	3.9
315.10593	1.5
326.89761	0.6
331.18839	1.3
333.20419	0.8
373.11093	1.4
385.18503	1.8
429.17389	0.6
443.19235	0.6
465.21234	0.8
467.18988	1.9
469.20279	2.1
483.18222	3.5
485.20062	0.8
541.22540	0.8
549.26526	2.1
551.28137	2.3
569.29486	1.1
583.29938	0.6
621.29016	0.9
631.35229	0.6
649.29730	0.8
692.37006	0.8
747.36566	0.8
775.38788	1.7
793.39716	100.0
794.39948	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	793.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.5
58.82076	0.6
61.02922	5.2
67.05501	9.5
68.05840	1.0
69.03429	4.6
69.07063	3.5
71.04995	2.4
73.02919	2.4
75.40389	0.8
79.05475	10.0
80.05817	0.7
81.03403	9.2
81.07048	14.5
82.07399	1.5
83.04961	3.8
83.08594	3.7
85.02906	4.4
85.06525	1.0
91.03960	3.0
91.05460	9.5
92.05798	1.1
93.07022	6.7
95.04954	6.3
95.08578	4.2
95.40694	0.7
97.02879	4.9
97.06529	2.6
97.10176	2.6
98.22686	1.8
99.04469	1.1
101.02359	1.1
103.03909	0.8
105.03389	4.7
105.04515	1.0
105.07019	4.9
106.03716	1.0
106.07369	1.1
107.04950	2.6
107.08574	3.6
109.02877	1.5
109.06510	2.1
109.10128	4.2
111.04438	2.0
111.08083	1.6
117.07012	2.5
119.08564	5.4
120.08936	1.0
121.06503	1.5
121.10155	3.3
123.08124	2.6
123.11677	0.9
125.09615	1.6
127.03883	1.2
129.07036	1.7
131.08589	3.2
133.06477	0.8
133.10150	2.9
135.08073	2.4
135.11700	1.9
136.08389	0.8
143.08527	0.9
145.10139	2.7
147.11691	2.3
149.09648	1.4
157.10164	1.9
159.11801	0.9
161.09633	1.2
163.11226	2.2
173.11890	1.3
175.11230	1.4
189.11287	1.2
193.12308	2.0
194.12563	1.0
227.12814	1.4
229.14221	1.0
243.08449	3.5
251.12863	0.8
254.39404	0.7
267.15891	6.1
268.16388	2.4
273.18634	1.1
275.20157	1.9
276.20453	1.2
277.14096	0.7
291.19638	1.7
315.10397	0.9
349.23810	1.2
367.24716	1.5
368.25140	1.0
467.18774	1.6
469.20251	5.5
541.35114	1.1
542.35590	2.1
559.36414	2.3
560.36548	4.6
565.26233	1.6
649.28601	2.5
775.39392	1.3
789.19208	0.9
793.39557	100.0
794.39771	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	793.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
61.02919	5.1
67.05498	5.1
67.94970	0.6
68.11616	0.6
69.03437	2.4
69.07084	2.8
71.01373	0.6
71.04996	2.2
73.02910	3.9
79.05489	4.4
81.03403	4.1
81.07052	6.2
83.04986	1.0
83.08632	2.0
85.02896	5.9
85.86868	0.6
91.03969	2.8
91.05466	5.7
93.07043	3.9
95.04990	2.1
95.08650	2.9
97.02875	3.6
97.06544	1.2
97.75854	0.6
99.04464	1.4
101.02383	1.6
105.07011	3.7
107.04958	0.9
107.08629	2.4
108.39686	0.7
109.02943	0.7
109.06558	0.9
109.10163	1.3
109.96484	0.6
117.07069	1.0
119.08571	3.4
121.10183	2.0
126.48497	0.6
127.03956	1.4
129.07056	0.7
131.08630	2.2
133.10196	2.1
135.11726	0.9
145.10123	0.8
147.11760	2.0
149.09630	1.1
157.10172	1.6
162.61014	0.6
163.11304	0.9
185.04251	0.8
193.12341	1.2
203.05354	1.1
243.08374	3.5
275.20340	1.0
283.15265	1.4
296.75748	0.7
307.15295	0.7
315.19452	1.8
336.10175	0.6
347.22116	2.7
391.61166	0.7
469.20505	6.2
481.20425	1.3
501.23007	4.0
533.27319	3.2
565.29895	1.8
793.43494	100.0
794.43402	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	794.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.8
67.05489	1.3
69.03425	1.6
71.49574	0.8
78.04733	0.9
79.05482	3.7
81.03418	3.7
82.04185	1.3
85.02882	5.6
91.05485	5.8
93.03344	1.0
95.04957	3.2
97.02889	2.4
97.06533	1.7
103.05451	12.3
105.03368	1.4
105.07011	5.9
107.04943	7.9
109.02876	3.2
110.03655	1.5
111.04431	2.0
115.05455	5.2
117.07005	4.4
118.04145	4.5
119.04964	4.8
119.08550	1.3
121.06482	2.1
123.04408	3.0
124.05221	1.7
125.05981	2.5
127.03912	2.2
129.07008	1.3
130.04117	1.0
131.04898	17.7
131.08531	1.3
132.05690	1.2
133.02829	3.2
133.06480	7.2
133.07402	1.1
135.08017	1.8
137.05966	6.5
138.03123	1.0
141.06918	0.9
143.04916	1.6
145.02879	1.4
145.06453	6.8
146.03612	1.2
146.07225	0.8
147.04361	5.9
147.08044	2.5
148.05159	9.0
149.05963	2.2
151.03911	2.7
151.07527	2.2
152.04626	0.9
153.05469	4.3
157.05096	0.9
159.08084	1.2
160.05154	1.4
161.05954	9.4
163.07507	19.9
165.05406	2.9
167.07016	55.7
168.07352	1.1
171.06505	2.7
173.05998	5.1
174.06786	1.9
175.07486	5.0
176.04672	2.5
177.04114	0.8
177.05397	4.1
177.09135	1.3
179.06992	6.8
181.04927	71.2
182.05275	0.9
183.06573	1.3
187.07486	3.9
189.05482	1.3
190.06271	1.5
191.07005	100.0
192.07422	3.6
193.04924	1.1
193.08609	3.5
195.06465	6.0
201.05478	0.8
203.06911	4.1
205.08543	5.0
206.04503	1.3
207.06461	2.4
207.08218	1.2
207.10156	2.5
209.08078	3.7
217.08516	3.9
219.08138	1.4
219.10112	8.4
221.07973	1.2
225.07494	2.1
231.06659	1.2
233.05833	1.2
233.07980	6.8
235.07549	1.6
235.09654	8.0
245.08083	2.0
252.07777	1.0
253.08775	1.0
257.08011	1.0
263.06320	2.0
263.09106	36.5
264.07697	1.1
265.08438	1.6
267.10101	4.2
279.10297	1.4
280.07281	0.9
283.09839	0.9
287.05417	5.4
295.09586	1.4
297.11206	2.3
307.09497	1.5
325.10648	5.2
327.12143	1.3
329.14209	0.8
331.11865	1.6
337.10358	0.9
339.12210	1.5
355.11716	1.1
357.13202	9.4
359.14804	2.0
362.54425	0.9
367.11664	2.5
369.13309	2.7
371.14618	1.5
381.13190	1.5
385.12769	18.5
386.12503	1.1
387.14325	2.2
389.16183	0.9
399.14371	5.2
413.15512	1.0
417.15381	32.4
418.15683	2.1
532.17816	0.9
547.19440	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.8
67.05482	1.4
69.03413	1.8
69.74341	0.6
75.04459	1.9
77.03942	0.6
78.04687	1.1
79.05483	3.4
81.03391	1.9
81.07034	1.2
81.12838	0.5
85.02895	6.1
88.12263	0.7
89.03883	0.7
91.05464	7.6
91.08895	0.5
92.80827	0.5
93.03394	6.1
93.07017	2.5
94.04121	0.9
95.04951	6.0
95.08587	0.6
97.02882	1.5
97.06514	1.9
98.67134	0.5
99.04440	0.9
99.94890	0.6
103.05453	17.2
105.03383	1.5
105.04499	1.4
105.07024	3.7
106.04160	13.0
107.04949	6.4
108.02057	0.9
109.02803	1.4
109.06495	1.6
110.03682	0.8
111.04448	1.1
114.80997	0.6
115.05400	3.1
117.03339	1.0
117.07005	2.6
118.04173	3.2
119.04919	2.0
119.08562	0.8
120.05733	0.8
121.06487	15.4
122.03643	2.8
123.04406	2.1
124.05186	1.1
125.05952	5.2
127.03864	1.2
129.06975	1.1
130.04112	0.8
131.04913	24.2
132.00476	0.6
132.05693	0.9
133.02869	1.1
133.06458	3.0
134.03612	2.2
135.04376	0.7
135.08040	1.5
136.07558	1.2
137.05954	44.2
138.09081	0.7
139.07524	1.6
141.05421	1.4
143.04901	1.4
145.02788	1.1
145.06491	3.2
146.03607	0.7
146.05965	1.2
147.04379	1.8
147.08015	1.1
148.05168	7.9
148.07539	0.8
149.05962	25.8
151.03885	47.4
151.04953	3.5
151.07494	2.3
153.05470	2.9
153.09065	5.9
157.06425	1.1
160.05171	1.5
161.05948	2.7
162.07652	0.7
163.03902	2.3
163.07516	15.1
164.06999	0.8
165.05467	2.3
165.09007	0.8
166.08609	1.1
167.07005	11.1
171.04320	1.1
171.06525	0.8
173.05968	2.6
175.07581	4.3
176.04698	2.3
177.05443	17.8
177.08975	0.9
179.06992	1.7
181.04932	17.4
181.08549	13.6
187.07515	1.7
189.05421	0.8
189.09055	1.0
191.06998	60.4
192.07549	1.0
193.04868	0.8
193.08536	3.0
195.06493	2.0
203.07013	2.9
205.06653	0.6
205.08557	2.5
207.06506	0.7
207.08331	0.6
207.10234	0.8
209.08054	100.0
210.08336	2.4
216.76987	0.6
217.08537	1.0
219.10191	1.4
223.09549	0.7
228.45168	0.7
233.05882	0.9
233.08005	2.1
235.07446	1.1
235.09604	2.5
237.09126	1.4
249.08997	1.4
263.06723	1.2
263.09143	10.8
265.08554	1.3
267.09952	0.7
277.08673	1.2
279.10635	0.5
283.09805	0.7
287.05508	0.7
295.09509	1.0
297.11792	1.0
298.12820	0.8
299.13635	1.1
300.14261	0.7
314.11609	0.6
325.10632	0.9
327.12280	1.0
329.13733	1.3
329.24768	0.6
337.11151	1.7
339.12598	0.7
351.12469	0.6
355.11731	3.9
357.13156	1.6
369.13297	2.0
387.14294	22.1
417.15341	3.3
461.19135	0.7
462.71335	0.6
465.21942	1.3
491.20566	0.6
500.44940	0.6
579.22723	1.2
614.26483	1.9
627.27112	1.4
794.38293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.7
68.05015	0.5
69.03409	1.3
70.06571	0.7
70.49283	0.3
72.81205	0.3
80.02750	0.4
85.02884	1.0
94.06552	0.9
95.04959	0.6
97.02866	0.7
99.89655	0.3
108.08086	1.1
111.04447	3.1
111.06802	0.8
112.07602	0.4
117.07007	0.4
120.08084	0.5
121.02851	100.0
121.03868	3.5
122.03174	1.4
124.07583	1.0
126.09134	1.3
127.03889	0.9
129.07005	0.5
133.08873	2.8
134.09639	4.5
135.10468	0.6
138.09142	0.9
139.03876	0.4
141.06949	0.4
150.09109	0.5
157.08830	0.4
158.09598	1.2
164.10658	1.9
165.07069	0.4
167.08565	0.5
179.08478	0.5
181.08887	0.5
184.11220	0.4
186.09148	0.9
194.09550	0.5
197.09630	0.4
198.09164	0.7
210.12785	0.9
220.11247	0.6
222.09157	0.4
223.09808	0.4
224.10680	0.6
225.11288	0.5
236.10706	0.4
238.12181	3.1
240.10135	0.5
240.13770	0.8
250.12260	0.4
252.13914	0.7
261.60788	0.4
262.55243	0.4
266.11752	2.6
270.14801	1.7
280.13306	0.9
283.12134	0.6
284.12781	0.8
294.11478	0.4
298.14355	6.7
299.15005	0.5
312.12305	0.4
312.15753	0.6
314.13785	1.1
316.15509	0.7
330.16977	1.0
342.16995	1.3
348.17935	0.4
358.16360	0.5
378.18961	0.4
386.14178	0.4
392.13303	0.4
404.14987	1.6
436.17548	8.6
438.19064	0.7
464.17737	0.5
468.20114	4.7
480.20251	1.0
496.19507	5.0
512.22736	0.4
540.22040	2.5
556.21729	0.9
566.20721	0.7
572.24750	1.1
598.22650	6.6
599.23474	0.5
600.24188	0.9
617.09424	0.4
626.22339	0.4
630.25385	5.7
632.27655	0.4
642.25244	0.8
643.26099	0.6
658.24792	5.7
659.25220	0.5
674.28699	0.5
702.27399	4.3
718.26837	1.8
734.30212	6.2
735.30548	0.6
762.29822	3.2
794.32141	69.7
795.32709	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	794.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
58.06598	0.7
59.04973	0.9
61.02922	2.0
65.29412	0.5
67.05499	1.3
69.03423	7.3
70.06583	2.2
71.04992	1.7
73.02921	2.6
74.06071	0.7
75.04465	3.5
77.03930	1.4
79.05500	2.7
81.03426	2.6
81.07063	1.9
83.04992	0.7
85.02893	10.0
86.09704	0.6
87.04485	1.4
91.05455	3.7
93.07053	1.5
94.06579	1.9
95.04959	10.9
95.05513	0.8
95.08586	1.0
96.08176	1.0
97.02881	5.5
99.04462	0.9
100.11277	0.6
101.02388	0.7
101.06048	1.0
103.05499	0.7
105.03379	65.3
105.04534	3.0
105.07051	2.5
107.04980	0.8
108.08125	2.0
109.02840	1.2
109.06517	2.1
109.10168	0.6
111.08086	3.4
115.03950	1.3
115.05474	1.4
117.07042	2.4
119.04955	1.5
119.08550	0.7
120.08102	1.1
121.06522	1.7
124.07619	1.0
126.09134	0.8
127.03862	3.0
128.06232	0.9
128.10646	0.6
129.07045	2.3
131.04947	1.5
131.08588	1.4
132.08107	1.2
133.02811	0.9
134.09677	1.3
135.08083	0.8
136.07605	0.6
137.06020	1.9
138.09157	2.2
141.07008	1.4
143.08524	0.8
144.08087	1.2
145.04984	1.8
145.06450	0.8
145.10056	0.7
146.06157	0.6
146.09677	1.1
147.04420	1.6
147.08041	0.7
148.07594	0.6
152.06218	0.7
153.05484	0.8
153.06987	0.8
155.08583	1.1
157.06509	0.9
158.09641	0.9
159.08089	1.4
160.07523	3.9
161.05957	0.6
163.06068	0.7
163.07619	0.8
164.10710	1.2
167.07153	0.8
167.08594	1.0
170.09717	1.5
171.08061	0.8
172.11281	1.9
173.09662	0.7
173.13232	0.6
174.05499	0.8
175.07605	0.6
176.07126	1.0
176.10742	1.0
177.05478	1.3
179.08566	1.7
181.05006	0.8
181.06505	0.9
181.10181	0.7
184.11299	1.0
186.09171	0.7
188.07060	0.9
188.10657	0.8
190.07829	0.9
191.08594	0.9
193.10196	1.5
195.08194	0.9
196.11313	0.7
197.09615	0.8
199.07658	0.8
202.07869	1.7
203.08578	0.8
204.09225	1.1
204.13786	2.9
205.10197	2.7
207.06464	1.1
207.08197	0.8
209.09682	1.0
210.10170	0.6
215.08684	1.3
217.10222	1.1
219.08127	1.2
221.09663	1.5
222.14868	0.9
224.10742	0.8
233.09711	2.3
235.11343	1.0
237.09122	0.6
251.10774	0.9
257.22678	1.7
259.08157	0.7
261.09024	1.5
263.10745	1.0
265.12265	1.1
275.23746	3.9
281.11481	0.6
287.05630	1.7
292.13504	1.2
293.11664	0.9
308.16418	0.8
321.24249	4.0
326.17368	1.0
336.16000	1.1
340.19211	1.6
354.16876	5.2
358.20517	1.0
372.21722	0.9
386.19818	0.9
390.22794	0.7
435.27377	0.7
451.02637	0.6
462.22842	1.9
464.21057	1.1
480.24307	0.9
490.22125	1.7
494.25540	0.8
508.23370	1.7
512.26636	3.0
516.22229	1.7
522.24884	2.7
523.25098	0.8
526.78448	0.7
540.26056	2.8
552.27899	1.4
554.27850	1.2
572.28314	8.2
582.27185	1.3
632.30634	6.2
674.31995	2.0
734.33636	7.9
794.35779	100.0
795.35925	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	794.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	13.2
65.03938	1.7
67.05496	35.4
69.03419	4.8
69.06715	1.4
69.07064	25.1
69.44195	1.4
71.04977	4.4
71.45171	1.4
73.06548	1.4
79.05482	39.9
79.05939	2.4
81.03409	100.0
81.07047	57.2
81.07429	1.2
81.31087	1.3
83.04980	10.7
83.08607	14.2
84.60707	1.4
85.02895	5.8
85.06541	1.6
91.05470	36.2
93.07032	35.4
95.04954	22.7
95.08598	15.2
97.02858	3.9
97.06508	11.9
97.10161	15.0
99.04448	2.9
105.03390	3.3
105.04477	2.8
105.07024	22.6
106.68577	1.4
107.04937	11.3
107.08574	22.8
109.02856	3.1
109.06518	13.3
109.10127	12.7
111.04407	9.9
111.08062	6.1
115.05354	1.5
117.07007	12.2
117.46494	1.3
119.04890	1.9
119.08567	34.5
121.06509	10.6
121.10132	12.1
123.08051	16.0
123.71668	1.4
125.05967	2.2
125.09613	18.2
127.03927	1.8
128.06207	2.3
129.07004	9.1
131.04919	2.5
131.08565	12.2
133.06479	3.4
133.10123	11.4
135.08038	13.2
135.11685	5.9
137.05930	1.9
137.09599	19.6
139.07481	2.1
139.65540	1.3
143.07021	6.3
143.08517	7.9
145.04939	1.3
145.06429	4.0
145.10107	10.3
147.08029	15.0
147.11655	6.4
149.09627	8.6
149.13197	1.6
153.09100	10.3
153.12766	3.9
155.08546	2.5
157.10109	7.4
159.08032	3.2
159.11696	3.5
161.08327	1.8
161.09558	7.8
163.07605	1.8
163.11128	11.7
165.09085	20.0
165.12845	1.4
169.10187	1.6
171.08015	1.4
171.11729	3.0
173.09540	2.7
173.11760	1.7
175.11130	5.5
177.09079	2.0
179.10489	1.8
181.08566	1.8
181.10097	1.5
181.12259	4.1
183.11653	2.3
185.13168	2.3
187.11124	2.0
189.11230	6.8
191.03305	1.6
191.10698	6.1
192.86067	1.5
193.12256	6.5
199.09570	2.6
199.14799	4.8
201.11145	2.2
217.12206	2.1
217.15846	4.8
219.13734	2.7
223.13239	2.1
227.12643	8.7
239.12733	53.2
240.13235	1.7
245.15393	15.4
255.17670	1.6
263.16422	8.2
267.15863	26.6
271.15332	5.9
273.18439	13.0
281.17529	2.1
291.19482	24.4
309.20685	4.4
319.18936	2.1
337.20090	5.7
347.22241	3.0
355.21173	7.4
365.23230	15.1
383.24182	9.9
405.22610	1.9
419.25580	7.6
437.26727	6.9
447.31113	2.7
455.27850	6.1
475.27960	1.6
493.28992	1.9
511.30548	16.8
519.33002	1.7
529.31531	72.8
530.31628	3.8
543.32404	2.1
547.32635	53.8
548.32849	2.7
561.34546	6.6
571.32501	1.9
579.34424	3.1
651.13239	1.4
690.74469	1.6
794.40796	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	12.0
57.07064	4.4
61.02923	4.1
67.05495	84.6
69.03400	5.4
69.07058	26.0
70.60985	3.9
71.04976	6.4
79.05482	84.7
81.07047	100.0
83.04967	20.3
83.08614	10.6
83.55511	4.5
83.80353	3.9
85.06532	5.7
85.41043	3.6
86.09677	14.0
87.04452	5.0
91.05463	72.3
93.07031	81.8
95.04967	15.8
95.08600	42.2
97.02844	4.2
97.06548	6.5
105.04534	5.0
105.07013	49.0
106.47434	3.9
107.04939	5.8
107.08578	46.2
109.06504	10.6
109.10140	61.3
113.05927	4.7
117.07020	9.8
119.08545	25.7
121.06524	6.8
121.10136	37.9
123.08037	9.0
123.11721	12.9
124.99963	9.6
125.94112	3.8
129.05481	3.5
129.06982	6.1
131.08516	23.4
133.06487	4.5
133.10106	72.1
135.08031	9.1
135.11662	22.6
143.08562	4.4
143.41907	4.4
145.10077	17.0
147.08072	4.2
147.11653	11.0
149.09625	8.7
149.13136	7.0
151.11168	31.8
154.89725	4.1
157.10013	4.2
159.11656	6.9
161.09595	8.7
171.11664	4.2
175.11194	3.8
184.07321	42.7
199.48242	3.5
215.17926	11.1
231.17445	5.6
233.19003	9.2
245.19150	6.1
253.14336	76.9
263.20200	4.6
270.56323	4.2
273.18475	21.8
291.19394	18.9
307.19131	6.9
307.22610	89.4
335.25613	5.2
337.19891	6.6
347.07187	4.4
347.21924	5.7
365.23166	31.9
503.33963	23.2
579.39813	4.8
597.41406	59.1
719.47491	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	794.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	14.5
57.07066	2.4
57.88187	2.0
65.03925	1.8
67.05158	3.1
67.05500	53.6
69.03416	6.6
69.06704	2.4
69.07063	29.4
71.04971	3.8
71.18964	1.9
79.05487	60.2
81.03413	5.0
81.07052	54.6
83.04977	3.8
83.08620	9.3
85.02892	2.1
85.06558	2.3
87.04458	4.1
91.05465	28.0
91.43440	1.7
93.07040	48.8
95.04955	12.5
95.08591	27.2
97.02877	4.6
97.06519	6.0
97.10146	8.5
98.23450	6.0
99.08067	1.8
105.04475	2.1
105.07026	25.7
107.04936	7.0
107.08593	17.6
109.06516	9.1
109.10165	12.0
109.35308	2.5
111.04448	2.9
111.08102	2.0
115.05454	2.2
117.06999	10.2
119.04932	3.2
119.08569	17.3
121.06440	2.7
121.10143	20.9
123.08063	5.7
123.11703	3.0
125.05993	1.8
125.09621	6.5
129.07005	3.5
131.08580	10.3
131.54732	2.3
133.06448	2.2
133.10124	12.1
135.08063	9.3
135.11664	12.6
143.08568	3.8
145.10106	10.0
145.78653	1.9
147.08022	3.3
147.11646	6.4
149.09624	3.1
149.13261	5.4
153.09175	2.0
157.10161	2.8
159.11661	5.5
161.09599	4.2
171.11678	3.2
173.13235	3.7
177.12761	3.0
189.11183	2.8
189.12717	2.6
192.49770	1.7
193.12193	3.3
215.17955	8.3
223.13252	8.0
227.12769	2.5
233.18964	8.1
249.14731	2.6
273.18433	12.9
291.19519	80.8
305.21237	2.2
307.22656	100.0
308.22852	3.9
337.41422	1.7
347.22079	4.8
365.23206	44.0
366.23071	2.1
368.77591	2.0
493.35623	2.2
517.34918	2.3
548.14307	2.2
579.40057	3.6
597.41443	74.7
598.41675	4.9
608.23755	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.8
65.03921	2.7
66.17746	1.8
67.05495	57.2
69.03413	6.2
69.07059	30.1
71.04994	2.9
79.05481	53.4
81.03410	5.7
81.07046	48.4
83.04966	4.9
83.08614	12.6
85.06546	2.4
87.04440	2.1
91.05467	32.2
93.07030	57.1
93.07594	3.5
94.53400	1.8
95.04949	15.9
95.08591	26.7
97.02888	10.1
97.06522	5.3
97.10152	15.4
98.23503	3.7
99.08051	2.5
105.04511	2.4
105.07003	20.9
107.04939	4.4
107.08584	20.1
109.06499	3.3
109.10117	16.5
111.08072	2.6
113.06052	1.6
117.06965	11.9
119.08582	17.7
121.06505	3.0
121.10113	20.9
123.08065	3.2
123.11686	4.7
125.09591	11.2
129.06990	5.2
131.08540	14.0
133.06461	2.3
133.10092	10.9
135.08084	4.1
135.11703	11.1
137.09630	3.6
143.08496	2.5
145.10088	9.6
147.08041	6.2
147.11649	6.3
149.09616	2.4
149.13237	5.6
149.70067	1.7
155.08516	2.0
157.10129	2.8
159.11697	6.7
161.09634	2.5
161.13318	2.4
163.11249	2.7
165.09171	2.6
173.13234	4.6
184.46849	1.8
189.11287	2.3
195.13820	2.1
215.17928	8.9
223.13217	18.0
227.12723	3.9
233.19003	10.2
255.05080	2.0
267.15674	2.2
273.18478	14.3
291.16187	3.8
291.19504	96.1
292.19885	5.1
307.22617	100.0
308.23041	2.3
311.72794	1.8
347.21982	3.0
351.15448	1.8
365.18610	2.5
365.23166	50.4
366.23633	2.7
391.44965	2.0
517.35126	4.4
531.83032	1.9
597.41376	89.3
598.41638	8.0
692.89813	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	19.0
57.07064	3.7
65.03924	7.7
67.05154	7.3
67.05495	100.0
69.03415	5.7
69.07062	22.7
69.14378	8.4
69.14787	15.7
71.04971	6.6
73.48794	4.0
79.05035	6.3
79.05482	94.5
81.03422	8.9
81.07049	89.9
83.04965	51.7
83.08617	11.3
85.06518	6.0
91.05467	78.2
93.07028	89.0
95.04956	25.8
95.08588	66.3
97.06498	8.6
97.10142	5.5
103.85840	3.3
105.07019	47.9
107.04939	12.4
107.08579	44.7
109.06519	13.3
109.10143	41.9
111.08062	6.5
117.06997	14.9
119.08570	28.2
121.06454	10.4
121.10124	37.9
123.08066	14.4
123.11678	10.5
125.09562	5.3
128.06238	3.7
129.06978	10.0
131.08586	21.6
133.06445	8.6
133.10103	45.4
135.08038	15.0
135.11668	25.1
137.09561	7.5
139.77463	4.5
143.08551	6.2
145.10077	15.4
147.08052	8.2
147.11662	6.2
149.09610	12.6
149.13237	8.9
151.07480	4.6
151.11169	15.3
157.10100	3.7
159.11658	14.0
161.09619	6.0
161.13213	5.6
165.09122	4.4
169.12106	3.4
171.11647	5.2
173.13156	5.0
175.11154	7.9
184.07329	4.2
185.13191	6.8
215.17915	15.3
233.18965	10.3
245.15289	7.4
253.14339	29.8
263.16406	7.8
273.18384	27.8
291.19431	24.0
307.22607	94.7
335.25653	14.7
337.19919	9.9
347.22174	8.4
365.23209	46.0
389.26407	3.9
403.28397	4.0
503.33334	15.4
579.40833	4.9
597.41443	88.7
598.41858	5.5
700.75824	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	795.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.1
61.02919	0.7
62.40536	0.1
63.78740	0.1
66.59557	0.1
69.03404	0.3
71.04979	0.5
79.05462	0.2
81.03404	20.8
81.07081	0.1
82.03739	0.2
83.01336	0.2
85.02884	0.5
97.02879	11.1
98.03169	0.2
99.04432	1.0
105.03401	0.2
105.07034	0.1
105.89947	0.1
109.02861	100.0
110.03194	1.3
115.03896	0.1
121.04976	0.2
123.03088	0.1
123.04496	0.2
127.03894	32.6
128.04219	0.2
131.08498	0.2
137.02303	0.3
137.05910	0.2
139.03879	4.8
140.04147	0.1
145.04932	0.2
169.04933	28.1
170.05273	0.3
187.06052	0.1
211.05949	1.9
229.04890	0.1
229.06995	0.3
231.05766	0.1
253.64882	0.1
269.45438	0.1
271.08099	0.1
283.51852	0.1
303.04926	2.4
316.72202	0.1
331.10083	0.7
393.05798	0.2
568.71008	0.1
599.84796	0.2
641.90619	0.2
695.74609	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	795.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
61.02919	3.7
67.05495	3.8
69.03422	3.2
69.07056	2.2
71.01350	0.6
71.04999	1.1
71.44353	0.9
73.02908	3.4
79.05476	3.7
80.05847	0.7
81.03420	5.0
81.07046	4.8
83.04985	1.6
83.08610	2.6
85.02879	4.7
85.06560	0.5
87.04483	0.5
91.03942	2.1
91.05456	4.3
93.06530	0.6
93.06996	3.1
95.04958	4.0
95.08607	1.6
96.05267	0.6
97.02872	5.0
97.10171	0.9
99.04446	0.9
101.02382	2.0
105.03391	1.9
105.07005	2.8
107.04956	0.6
107.08615	1.6
109.06512	0.9
109.10147	0.9
111.04466	0.8
111.08060	1.2
117.06993	1.0
119.08586	2.1
121.06478	0.7
121.10154	1.3
123.08089	1.1
125.09624	1.2
126.22346	0.6
127.03915	1.2
129.05469	0.7
129.06979	0.8
131.08586	2.1
133.10132	1.6
145.10155	0.8
147.11723	0.9
149.09625	0.9
157.10110	1.3
163.11156	1.2
175.11261	1.7
185.04219	1.1
193.12228	2.7
211.13332	1.6
223.50667	0.6
225.01718	0.5
243.08371	3.2
251.12535	3.1
301.08966	1.1
307.15170	1.3
349.19937	1.8
369.15268	0.7
384.39114	0.6
402.33447	0.6
439.19571	0.8
451.19894	0.8
469.20395	9.7
541.22375	1.2
567.27631	4.8
795.41156	100.0
796.41632	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	795.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
61.02922	4.8
62.29802	0.3
62.69631	0.3
67.05497	3.7
69.03414	3.7
69.07053	2.2
69.74596	1.1
71.01333	0.5
71.04988	0.4
73.02916	3.5
79.05474	3.6
81.03403	3.9
81.07048	4.3
82.13680	0.4
83.04979	1.1
83.08617	1.4
85.02898	5.5
87.04462	0.5
88.09910	0.4
91.03958	2.5
91.05458	3.4
93.07021	2.7
95.04966	2.4
95.08591	1.6
97.02870	4.2
97.06525	0.6
97.10172	1.1
98.23338	0.5
99.04456	0.7
101.02395	1.3
105.04613	0.4
105.07003	1.7
107.04981	0.5
107.08614	1.5
109.02889	0.9
109.06522	0.7
109.10151	0.6
111.04380	0.6
111.08076	0.3
115.03961	0.4
119.08552	1.9
121.06493	0.4
121.10155	1.4
123.08098	1.0
123.11738	0.3
125.09625	1.2
127.03946	1.0
129.07004	0.8
131.08571	1.2
133.10149	1.3
135.11691	0.4
137.09631	0.6
145.10074	0.4
147.08089	0.4
147.11694	1.2
149.09621	0.5
157.10156	1.1
159.11816	0.3
163.11234	0.7
175.11217	0.9
181.12285	0.4
185.04225	0.8
193.12279	1.4
211.13362	0.4
241.07047	0.4
243.08328	4.1
251.12611	1.3
301.09027	0.8
313.08942	0.5
315.10547	0.5
349.19772	2.3
405.22525	0.5
469.20447	8.7
469.27097	0.4
500.38110	0.4
541.22552	1.7
567.27637	6.5
649.53876	0.4
795.41217	100.0
796.41589	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	795.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.9
61.02917	5.2
67.05505	4.1
68.15508	0.6
69.03427	2.7
69.07063	2.7
70.01556	0.7
72.84740	0.7
72.97151	0.7
73.02917	3.2
76.15060	0.7
79.05469	5.4
80.33468	0.7
81.03400	4.4
81.07038	5.1
83.04981	1.5
83.08612	1.2
85.02890	6.3
91.03967	3.4
91.05474	3.8
93.07006	3.5
95.04981	2.8
95.08609	1.6
97.02896	4.7
97.06528	1.5
98.23465	2.1
99.04450	0.9
101.02406	1.6
101.15540	0.9
103.54394	0.7
105.07031	2.5
107.04943	1.4
107.08615	2.5
109.06518	1.5
109.10138	1.4
111.08112	0.9
117.07046	1.1
119.08592	2.5
121.06484	0.8
121.10144	1.5
125.09634	1.2
129.05466	0.9
129.06987	1.0
131.08575	1.5
147.08031	0.9
147.11754	1.2
150.40948	0.9
157.10130	1.1
159.11839	0.8
163.11215	1.0
175.11148	1.3
184.07454	0.9
193.12334	1.4
193.36269	0.8
211.13171	0.8
243.08377	4.2
251.12592	1.6
263.38977	0.7
301.09006	0.8
349.19916	2.2
405.22879	0.8
439.20187	0.8
443.19135	1.0
469.20343	8.4
487.21146	0.8
537.63275	0.8
549.26544	1.1
567.27771	3.9
795.41211	100.0
796.41711	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	795.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.1
61.02917	6.0
67.05499	9.3
68.93168	0.7
69.03425	4.0
69.07059	2.6
69.48757	2.4
69.49142	1.9
70.06573	1.0
71.04981	1.4
73.02908	4.3
79.05482	6.0
81.03419	3.2
81.07041	7.6
83.04971	1.6
83.08615	2.6
85.02877	6.2
91.03957	3.8
91.05454	7.9
91.72511	0.8
91.90274	0.8
93.07040	5.4
95.04969	3.1
95.08573	4.2
97.02887	5.3
97.06604	0.9
99.16209	0.8
101.02383	2.0
105.07033	3.6
106.07439	0.9
107.04981	2.4
107.08606	3.5
109.06526	1.2
109.10162	4.0
111.08092	1.1
117.07010	2.9
118.07323	1.1
119.08578	2.9
121.10141	2.3
123.08098	1.5
127.03916	1.4
129.05466	2.1
131.08598	1.4
133.10129	3.4
135.08049	3.2
135.11722	2.5
143.08562	1.6
145.10065	2.5
149.02315	1.6
149.09691	1.0
151.11168	1.8
159.11708	1.1
163.11221	2.0
185.04240	3.9
193.12225	0.9
198.04166	0.9
201.03723	1.1
243.08421	5.7
251.12617	1.3
253.14267	2.5
255.12338	3.7
291.19495	1.0
301.08963	10.9
315.10538	2.1
328.57574	0.9
330.25528	0.9
333.20279	4.4
341.12149	1.5
357.15186	1.5
359.22031	2.9
373.11050	3.6
373.23636	1.0
385.18234	6.0
389.22797	1.2
402.21387	1.2
410.22562	1.4
418.20889	1.3
429.17642	1.8
431.24194	3.0
439.19495	2.7
455.18878	1.1
467.18744	1.0
469.20459	2.1
471.22034	1.6
474.59097	0.9
477.24893	1.6
478.92441	1.0
481.20639	3.7
487.22104	1.1
499.21176	7.0
538.27332	0.9
541.22650	5.0
551.28259	11.3
552.28094	1.4
580.31836	1.0
583.30902	1.8
598.29358	1.1
608.49554	1.0
610.29694	2.9
623.30737	7.4
625.31885	5.6
637.31958	2.6
651.33234	2.1
665.35071	1.7
683.56622	1.1
693.37903	5.5
694.39001	2.1
697.42651	1.2
705.38000	2.6
706.39954	1.0
707.39789	1.1
709.32715	2.0
733.41351	1.4
735.39050	1.0
749.40625	2.6
775.78064	1.1
777.40234	3.0
778.41180	1.1
795.40967	100.0
796.41559	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	795.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
61.02915	4.2
64.64577	0.9
65.80301	0.8
67.05495	5.9
69.03428	3.6
69.07073	2.2
70.06640	1.1
71.04993	1.0
73.02917	2.7
79.05483	4.5
81.03429	2.6
81.07049	5.1
83.04998	1.6
83.08609	1.5
85.02889	4.7
91.03961	3.3
91.05506	3.9
93.07046	4.3
95.04967	2.4
95.08638	2.5
97.02862	6.0
101.02385	1.9
105.07047	3.0
107.08599	2.5
108.47515	0.8
109.02892	1.3
109.06545	1.2
109.10179	1.8
111.04469	1.4
111.08088	1.1
114.72591	0.9
117.07014	1.2
119.08584	3.1
121.10162	1.6
127.03918	1.9
129.05508	1.5
129.06975	1.0
131.08604	1.3
133.10132	1.7
135.24849	0.9
137.09595	0.9
145.10152	1.2
149.02324	1.1
149.09634	1.3
160.49178	0.8
163.11162	1.8
165.04724	0.8
165.09055	1.1
185.04236	2.3
199.05779	1.1
201.03786	2.1
241.06815	1.0
243.08534	3.8
259.08087	1.0
283.52106	0.9
294.96341	0.8
299.07263	0.9
301.08887	8.9
315.10468	2.0
333.20343	4.1
341.12079	1.1
344.15311	0.9
355.13617	1.1
371.16696	1.1
373.11017	2.3
375.47375	0.9
383.16864	1.2
385.18228	6.5
429.17258	1.1
431.24142	2.0
439.19995	1.2
443.18787	1.3
444.19897	1.1
457.20358	1.1
467.19440	1.2
471.22021	1.3
477.24335	1.1
481.20914	1.9
485.19754	6.3
499.21539	2.4
515.33313	1.2
515.40680	1.0
541.22504	2.5
551.28314	10.9
554.26367	1.0
569.29712	2.4
610.29663	1.1
623.30579	3.6
625.32037	3.0
637.31671	1.1
651.33301	2.1
693.38104	4.2
694.39355	1.8
777.40051	3.1
795.40991	100.0
796.41736	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	795.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.2
61.28072	0.8
67.05505	3.1
69.28748	4.9
79.05504	1.5
81.07069	1.8
87.04462	2.0
91.03912	1.0
91.05472	2.1
93.07053	1.3
95.08629	1.3
105.07003	1.3
107.08563	1.2
166.15761	0.8
184.07436	1.1
493.73425	0.9
519.29529	1.3
691.40076	11.7
692.40613	1.1
795.42743	100.0
796.43512	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	795.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49172	0.7
57.03439	2.5
61.02916	6.6
67.05491	4.9
69.03425	3.3
69.07059	2.0
70.06583	2.9
71.05000	1.3
73.02917	4.6
75.47086	0.6
79.05483	6.5
81.03411	4.5
81.07049	5.2
83.04958	0.6
83.08622	1.7
85.02890	5.2
85.03246	0.5
88.87125	0.5
91.03951	3.0
91.05459	6.6
93.07030	5.8
95.04977	2.8
95.08579	3.5
97.02874	5.6
99.04449	0.7
101.02397	2.2
105.07018	3.9
107.08615	2.6
109.10184	0.8
111.08080	0.8
117.07037	1.1
119.08620	2.8
121.10159	2.4
127.03939	1.8
129.05457	0.8
129.06976	1.5
131.08588	2.1
133.10121	3.3
135.11714	1.5
137.09642	0.8
145.10088	1.2
147.11726	1.8
149.09656	1.9
157.10092	0.9
175.11224	0.9
193.12285	0.8
236.16457	0.9
243.08284	4.6
254.17610	0.9
267.16028	0.8
283.15161	4.3
301.08984	1.6
308.92886	0.7
339.18005	0.7
501.23071	11.4
535.28687	6.8
573.25067	1.5
618.85376	0.7
697.43835	1.0
705.37885	0.7
709.32495	1.3
749.40680	1.1
764.46069	5.3
795.44806	100.0
796.45288	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	796.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.2
61.02927	1.0
65.03932	8.2
67.05496	2.4
69.03418	5.6
70.06568	1.4
75.04456	1.7
78.04715	1.0
79.05490	3.6
81.03399	2.5
81.07043	2.1
82.04180	1.3
83.04960	1.3
84.54934	0.7
85.02889	8.6
85.21582	0.8
91.05457	6.5
93.03392	6.3
93.07031	2.9
95.04951	6.4
97.02251	1.3
97.02882	24.8
97.06522	1.7
101.27122	0.9
103.05465	5.7
105.03378	3.5
105.04513	1.7
105.07018	3.8
106.04176	7.6
107.01302	2.9
107.04941	9.8
109.02860	2.0
109.06497	1.4
110.03667	5.9
111.04419	8.5
115.03889	2.6
115.05402	2.7
117.03336	1.2
117.07003	2.2
119.04902	1.8
121.02859	4.0
121.06472	10.5
122.03613	2.3
123.04397	5.0
125.05971	14.0
127.03891	2.6
128.06201	2.4
129.06984	9.4
131.04921	6.8
131.08524	1.5
133.06459	4.7
134.03601	1.7
135.04385	2.4
135.08049	2.0
137.05951	21.1
138.03152	1.2
139.02888	1.3
139.03891	12.0
141.06947	0.9
145.02850	1.7
145.05006	1.1
145.06474	3.7
147.04427	4.2
148.05180	1.2
149.02345	1.6
149.05960	15.5
151.03917	2.2
151.07516	7.5
153.05449	22.6
153.09079	3.9
155.04851	1.0
157.04947	5.1
157.06483	9.3
158.07253	1.9
159.04375	0.9
159.08017	2.3
161.05940	8.4
161.09610	1.6
162.06630	1.5
163.03859	3.1
163.07532	5.0
165.05550	1.5
165.06958	2.4
166.06233	1.0
167.07042	11.8
167.08406	1.1
169.06471	1.0
172.05269	1.0
173.05949	1.2
174.06737	6.4
175.07516	9.7
177.05453	17.6
177.09038	1.3
179.06976	2.9
179.08434	1.3
181.04977	14.4
181.06534	2.0
181.08542	8.5
183.06491	0.9
186.06691	1.2
187.06148	0.9
187.07494	5.3
188.08290	1.4
189.05495	1.8
189.07217	1.9
189.09076	19.2
190.07826	1.0
190.09569	1.2
191.06989	2.2
191.08559	1.9
193.08594	3.7
195.06474	1.6
195.08104	2.0
197.06017	1.0
197.09671	1.3
201.09149	1.1
205.06763	1.0
205.08655	2.3
206.07231	1.9
207.06390	1.2
207.08128	1.8
209.08051	60.7
210.06720	2.2
210.08527	1.0
211.07501	2.4
212.08200	1.3
217.06540	2.3
217.08578	5.0
218.07278	1.2
219.08006	4.4
219.10138	10.0
220.08899	1.4
221.06013	2.0
221.08076	5.1
221.09866	1.4
222.06735	1.1
223.07613	3.5
224.08284	0.9
225.09096	3.2
227.07019	1.9
227.10632	1.3
231.07990	1.3
233.09761	1.7
234.06779	4.2
235.07475	2.8
235.09579	1.5
236.08266	1.4
237.05443	1.4
237.09071	3.5
238.06160	2.0
238.09843	2.6
239.07004	1.4
239.10565	0.9
240.07840	5.3
241.08478	0.9
246.06749	1.0
247.07544	2.7
248.08325	1.6
249.09018	5.5
250.09837	1.1
251.07013	2.1
251.10641	3.1
252.07680	3.1
253.08528	12.5
253.12137	4.7
254.09190	1.4
255.06543	1.3
255.10103	4.8
257.08066	2.1
261.08981	4.0
262.06213	1.1
263.07007	2.3
264.07706	1.5
265.08514	4.3
266.09341	3.4
267.06604	2.0
267.10165	5.3
268.07309	1.8
269.08029	3.1
269.11420	1.0
271.13303	1.0
272.10532	1.0
277.08560	9.0
278.09213	2.9
279.06943	1.1
279.10059	5.5
280.07324	0.9
280.10703	1.7
281.08026	3.8
281.11691	7.0
282.08765	1.7
283.09607	6.8
283.12604	1.4
284.10355	2.1
285.07571	1.9
285.11121	2.7
285.14603	1.8
287.05380	6.7
289.08447	1.6
291.10101	2.0
293.08041	1.4
293.11725	2.5
294.08911	2.4
295.09641	4.6
296.10400	2.1
297.11230	3.5
298.11893	2.1
299.12714	6.2
300.09842	2.5
306.08887	1.8
307.09387	1.9
309.11102	9.1
310.11768	2.4
311.09381	1.3
311.12646	4.8
313.10651	8.5
313.14279	4.2
314.11453	2.4
321.11130	3.0
324.09622	1.1
325.10602	1.9
325.14194	1.0
327.12158	20.4
328.12833	2.4
329.13806	27.1
330.14398	1.6
331.15356	3.2
339.12238	13.0
339.16080	1.7
340.12527	1.1
341.13937	4.4
343.15424	3.2
353.13785	2.4
357.13235	16.3
358.13638	1.7
359.14838	100.0
360.15244	4.4
361.16296	4.3
371.14828	58.0
372.15311	5.0
375.14349	6.7
389.15918	36.2
390.16138	2.1
557.20526	1.0
600.24908	0.9
796.32922	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	796.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16435	0.7
61.02908	1.1
67.05474	0.9
69.03420	6.0
73.02911	1.7
79.05479	1.7
81.03397	1.2
85.02887	7.4
89.05997	0.7
91.05467	3.4
93.03406	1.9
93.07056	1.4
95.04964	1.2
97.02878	15.6
97.03477	1.2
99.04445	0.9
103.05457	1.2
104.26342	0.7
105.03401	1.1
105.06989	1.9
106.04150	2.7
107.04939	2.8
109.02872	2.9
111.04498	0.9
115.03903	9.3
119.04943	2.0
121.02889	1.6
121.06483	4.2
122.03691	0.8
125.05977	1.7
126.94220	0.8
127.03902	2.4
129.06966	1.3
131.04913	1.5
131.87122	0.7
133.06483	1.8
134.03569	0.9
137.02332	0.9
137.05951	0.9
145.04907	1.3
149.05963	4.9
151.07547	1.9
153.01785	1.2
153.05473	2.3
153.09081	1.8
157.04948	10.2
159.07977	1.5
161.05969	1.8
163.03847	1.1
163.07483	2.0
165.01881	1.0
167.07014	8.6
175.06006	2.6
175.07555	2.3
177.05461	4.5
177.09077	7.8
181.04927	2.7
181.06412	1.2
181.08562	2.6
189.09134	1.2
191.07016	1.5
191.08566	1.0
193.06789	1.1
193.08563	6.5
194.07310	1.3
195.08047	1.2
205.06792	1.2
207.06427	1.5
209.06096	1.3
209.08014	11.4
209.09732	1.3
217.07019	1.3
217.54218	0.7
219.08003	1.1
221.05969	1.0
221.09666	1.7
221.11641	1.4
222.06670	1.7
223.07538	1.7
224.08319	2.0
225.09120	0.8
233.09459	0.9
234.06711	2.3
235.07529	2.6
236.08249	3.6
237.09012	2.5
238.09892	1.6
239.10561	0.9
249.09087	8.2
250.06233	1.0
250.09804	1.5
251.07021	2.3
252.07727	6.2
253.08469	2.0
253.12399	0.9
255.10260	1.0
257.08078	0.9
263.06967	1.8
264.07806	2.8
265.05838	1.3
265.08594	10.1
266.09305	6.2
267.10059	1.4
269.08087	1.8
277.08527	2.1
278.09384	1.4
280.07333	8.3
280.10556	1.1
281.08044	3.8
281.11417	0.9
283.09793	1.5
285.07745	0.9
287.05444	26.9
288.05704	0.9
293.08347	1.7
293.11700	8.2
294.08716	0.9
294.12338	1.2
295.09549	3.8
296.10480	6.4
297.11154	1.7
298.08344	1.7
300.09961	2.6
309.11124	2.0
310.11951	1.6
311.12744	7.6
312.09778	0.8
313.10657	8.1
313.14337	6.0
321.11148	5.3
324.09845	0.9
325.10788	1.5
327.12189	2.4
328.12930	0.8
331.15302	1.9
339.12210	53.5
340.12738	5.2
341.13797	3.4
343.15378	2.3
359.14813	17.4
361.16193	1.5
371.14844	100.0
372.15317	4.7
461.10562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.0
69.03416	6.6
69.23510	2.2
69.23919	3.3
70.06592	1.0
75.04494	1.1
77.03909	1.9
79.84395	0.8
81.03405	1.3
82.06624	0.9
83.04955	1.0
85.02883	5.4
85.06595	1.0
87.04460	2.2
88.07628	1.2
91.05479	2.3
94.06597	1.5
95.04955	6.9
97.02893	7.0
97.06573	0.8
99.04425	1.4
103.05467	1.8
105.03380	53.9
105.04545	2.8
105.07050	1.9
108.08144	2.5
109.02873	1.8
119.04965	1.0
121.02911	0.9
123.04408	1.2
125.24377	0.9
127.03917	2.2
128.06232	1.4
129.06969	2.0
131.04843	1.5
135.08035	1.3
138.17746	0.8
144.08076	1.2
145.06546	1.4
145.08865	1.5
146.05992	1.0
146.09520	1.3
147.04416	1.2
150.09128	1.0
154.08603	1.1
160.07597	1.9
163.07568	1.0
164.10789	1.2
165.06996	1.0
167.07063	2.4
169.10222	1.1
175.07475	1.4
177.05345	1.1
179.08601	1.8
181.04994	2.7
182.05469	1.0
191.07004	3.7
191.08597	1.8
192.07458	1.1
193.10138	1.3
195.08081	1.4
203.08572	1.6
205.10228	1.3
207.08107	1.8
209.09665	2.0
220.08821	1.2
221.09723	2.7
222.11127	1.2
231.08182	1.1
235.07584	1.8
237.09221	1.3
239.10643	1.2
249.09174	2.5
251.10736	1.6
253.08635	1.3
264.98984	1.0
267.10147	1.1
268.83578	1.2
287.05392	5.6
288.05872	1.2
313.14294	1.1
339.12329	2.0
347.95773	0.9
370.16629	3.0
371.14966	3.1
478.22433	1.8
496.23328	1.5
506.21973	3.8
514.24799	1.5
524.22614	2.8
538.24280	4.1
556.25360	4.7
574.26563	4.9
598.26416	1.6
616.26715	2.1
634.28400	6.0
736.31818	3.4
740.82867	1.1
796.33673	100.0
797.33936	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	796.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	0.4
64.04899	0.3
65.03931	3.9
69.03403	1.2
69.17719	1.1
69.18132	0.7
70.06576	0.7
71.04980	0.3
75.04447	0.4
79.05489	0.4
81.03410	0.5
82.06553	0.3
85.02892	0.8
88.07571	0.4
91.05479	1.1
94.06555	1.0
95.04959	0.6
96.08087	0.5
97.02888	0.7
98.03236	0.3
98.06077	0.5
99.04469	0.3
105.07015	0.5
107.04936	0.3
107.07314	0.4
108.08086	0.8
109.02826	0.3
111.04430	2.7
115.05461	0.3
117.06998	0.9
120.08135	0.3
121.02849	100.0
121.03856	3.6
122.03220	1.5
122.68478	0.3
126.09096	0.3
127.03870	0.8
129.06999	0.7
131.08565	0.8
132.08006	0.3
137.05934	0.3
138.09145	0.8
139.03864	0.6
141.06973	0.5
143.08466	0.4
144.55362	0.3
145.06502	0.3
147.04390	0.5
147.07985	0.3
153.07008	0.5
155.08575	0.3
158.09644	0.4
160.07576	1.1
160.11108	0.3
161.09683	0.3
164.10680	0.4
167.08524	0.4
169.06541	0.4
172.11238	0.6
174.05487	0.7
176.10750	0.6
179.08519	0.5
181.10092	0.3
184.11150	0.4
188.07108	0.4
191.08574	0.6
192.06516	0.3
193.10233	0.4
195.11674	0.4
202.07866	0.3
202.12355	0.4
203.08571	0.4
204.09435	0.3
204.13802	0.8
205.10152	0.6
209.09685	0.4
217.10075	0.4
219.07881	0.4
233.09698	0.7
235.07602	0.5
237.09030	0.4
251.10501	0.5
261.09030	0.5
269.11624	0.4
272.64859	0.3
279.10153	0.5
280.13123	0.4
294.14926	0.5
326.17526	0.6
336.15820	0.4
337.93143	0.3
340.18936	0.4
340.44727	0.3
344.18631	0.5
354.16873	2.9
358.20392	0.4
363.37692	0.4
376.21323	0.5
386.19620	0.5
400.20975	0.3
404.20798	0.5
418.58972	0.3
438.18927	0.4
464.20502	0.3
478.22495	0.4
480.20255	0.6
482.21555	0.6
492.20193	0.4
506.21796	0.6
514.24725	0.5
524.22784	0.9
538.24164	0.6
556.25342	0.9
574.26550	1.7
634.28595	1.1
676.29266	0.5
700.29724	0.5
718.30432	1.0
736.31586	3.9
796.33673	64.3
797.34174	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	796.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06577	0.8
59.01505	0.4
65.03935	4.5
68.53587	0.5
69.03428	1.8
69.07032	0.6
69.56210	1.5
70.06580	1.0
75.04451	0.4
76.85282	0.4
81.03395	0.7
85.02882	1.8
91.05463	1.0
94.06553	1.3
95.04933	0.7
96.08100	0.6
97.02891	1.0
101.34727	0.4
108.08089	0.8
109.02831	0.5
111.04432	2.8
117.06969	0.5
117.99016	0.4
120.08092	0.8
121.02850	100.0
122.03178	1.6
124.07549	0.5
125.89036	0.3
127.03870	1.1
129.07024	1.0
131.08536	0.9
134.09679	0.8
136.07541	0.5
137.05989	0.6
138.09111	1.4
139.03911	0.7
141.06932	0.6
143.14322	0.4
144.08118	0.7
146.09729	0.4
147.04381	1.0
147.08049	0.7
158.09731	0.4
160.07547	1.2
163.03857	0.6
164.10759	0.7
165.05522	0.5
172.11342	0.5
174.05559	0.7
175.03931	0.6
176.10686	0.6
177.05438	0.9
179.08562	0.7
191.08566	0.5
193.10153	0.5
202.07822	0.5
204.13843	1.2
205.10117	0.5
207.06558	1.6
233.09674	0.9
238.12270	0.5
251.10741	0.5
310.93964	0.5
336.16086	0.5
340.19116	0.8
354.16849	3.3
358.20349	0.7
376.21161	0.5
418.21878	0.4
418.68594	0.4
438.19177	0.5
472.39371	0.4
478.22217	0.4
482.21811	0.7
506.21692	0.7
514.24554	0.7
524.22894	0.8
538.24133	0.8
542.23950	0.6
556.25238	0.9
574.26215	2.0
634.28613	1.3
700.29657	0.6
704.29712	0.5
718.30469	0.8
736.31940	3.5
796.33698	58.8
797.33936	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	796.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	17.4
57.07061	3.8
61.02913	2.2
62.25276	1.1
65.03923	3.7
66.69975	1.0
67.05493	77.3
69.03414	2.3
69.07062	23.2
70.99933	1.3
71.04977	4.0
77.03867	1.5
79.05480	70.1
81.03430	3.8
81.07046	70.2
83.04993	7.1
83.08605	22.6
85.02896	2.7
85.06532	3.4
91.05465	47.3
93.07027	68.4
94.07422	1.2
95.04946	20.0
95.05511	1.6
95.08587	44.4
97.02892	1.9
97.06513	6.5
97.10150	4.8
99.08086	3.1
103.05449	1.8
105.04510	4.2
105.07016	35.7
107.04927	12.6
107.08575	32.8
107.09248	2.4
109.06495	6.2
109.10138	21.8
111.08054	7.2
115.39449	1.3
117.06983	15.1
117.09854	1.1
119.08566	28.3
121.06484	4.3
121.10124	32.6
123.08068	6.4
123.11720	6.3
125.09623	2.9
127.07533	1.5
129.07010	7.3
130.07747	1.4
131.08534	22.7
131.09433	1.8
133.06514	1.5
133.10100	22.9
135.08038	5.1
135.11678	14.1
137.09615	6.0
138.33118	1.1
139.11150	3.7
140.52614	1.2
141.07016	1.8
142.07732	2.0
143.08539	4.0
145.06490	1.9
145.10095	21.4
145.11206	1.6
147.08051	3.3
147.11655	11.7
149.09589	16.5
149.13168	5.9
151.11165	4.6
155.08516	2.9
157.10085	3.2
159.11653	12.4
161.09590	1.9
161.13261	5.7
163.11140	13.5
165.12741	2.2
169.10091	4.0
171.11655	3.9
173.13196	6.8
175.11183	2.2
177.12770	1.7
183.11671	4.6
185.13246	1.7
187.11255	1.5
187.14819	3.5
197.13220	2.1
201.11188	2.4
211.14781	2.5
213.16396	1.8
215.14265	1.3
215.17923	5.5
223.13264	1.9
227.45337	1.3
229.15948	2.7
229.19441	1.5
233.19020	5.0
239.17914	5.2
241.14293	3.0
247.16956	3.4
247.20555	1.8
257.18933	7.0
261.22003	2.6
275.20016	41.7
293.21042	5.8
307.22626	100.0
308.23056	3.6
321.20596	4.2
335.25745	12.8
349.23688	28.0
367.24759	16.1
368.25296	1.3
436.95438	1.5
487.33856	1.5
501.35568	3.9
581.41919	25.2
599.42920	36.6
600.43176	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	796.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81961	0.7
57.03439	7.4
57.07061	1.3
61.02919	1.0
65.03934	2.1
67.05500	44.4
69.03409	1.8
69.07062	11.2
71.04981	3.5
79.05489	47.4
79.74236	0.9
81.03409	2.7
81.07048	39.2
83.04981	6.7
83.08611	14.6
85.02898	2.5
85.06551	1.8
90.53306	0.8
91.05471	29.5
93.07040	43.7
95.04961	38.1
95.08604	26.4
97.02865	1.0
97.06516	5.0
97.10172	5.9
99.04454	3.0
99.08102	1.8
105.04495	1.7
105.07018	21.2
107.04945	5.4
107.08588	20.5
109.06509	5.1
109.10155	11.8
111.04421	5.1
111.08059	4.2
115.05415	1.3
117.07013	8.0
119.08572	14.8
121.06477	3.2
121.10134	25.4
122.46606	0.8
123.08053	3.5
123.11691	2.3
125.09613	6.4
129.06992	2.3
130.07719	1.0
131.08554	12.4
133.06516	0.8
133.10100	12.5
135.08022	1.9
135.11676	10.6
137.09612	3.1
139.11156	1.3
141.07002	0.9
143.08534	2.7
145.06546	1.1
145.10115	13.8
146.10455	1.0
147.08035	1.6
147.11665	7.4
149.09596	12.6
149.13257	2.3
151.11200	1.2
153.12785	1.0
155.08530	0.9
157.10124	2.4
159.11646	8.6
161.09619	1.4
161.13243	2.3
163.11166	13.9
165.12718	1.8
169.10068	2.0
171.11688	2.2
172.47359	0.8
173.09599	0.9
173.13264	3.4
175.11140	1.3
175.14914	0.9
177.12712	1.6
181.12122	1.0
183.11682	1.1
185.13316	1.2
187.11163	1.4
187.14816	2.4
189.11227	4.9
193.12157	1.0
197.13214	1.0
205.12227	2.2
211.14883	0.9
215.17912	6.9
223.13248	22.2
227.12804	1.4
229.19518	1.5
233.18950	6.2
239.17905	3.7
243.49490	0.8
247.20662	1.0
257.19061	4.0
275.16983	1.7
275.20026	32.1
293.21088	21.0
307.22635	100.0
308.22885	3.9
313.90485	0.8
331.22586	1.2
349.23721	11.3
367.24759	29.7
394.42575	0.8
461.32504	1.8
581.41907	16.7
582.42139	1.5
599.43048	68.1
600.43475	5.8
684.06995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	23.1
57.07067	4.0
59.04959	1.7
61.02910	5.8
65.03927	5.5
67.05495	100.0
68.05851	1.6
69.03425	8.8
69.06698	2.4
69.07055	22.7
69.39056	6.2
71.04977	7.0
73.02898	1.4
77.03912	2.9
77.56123	1.5
79.05482	93.0
81.03411	8.3
81.07044	98.8
83.04974	8.8
83.08611	17.0
85.02886	4.8
85.06541	4.4
91.05469	65.2
93.07030	96.0
95.04956	21.5
95.08590	60.4
95.09210	2.6
97.02878	3.6
97.06518	12.2
97.10155	4.4
98.23468	2.7
99.04445	2.5
99.08090	5.6
105.04513	5.3
105.07015	47.7
105.07727	2.4
106.45728	1.6
107.04945	4.6
107.08580	42.4
109.06506	7.5
109.10135	27.0
111.04443	2.2
111.08068	6.7
116.10915	1.7
117.07001	24.5
119.08554	29.8
121.06509	2.7
121.10127	42.0
123.08024	2.8
123.11689	6.0
125.09616	4.1
127.03917	3.1
128.06216	2.7
129.06972	9.6
130.07712	2.0
131.08549	28.2
133.10110	24.5
135.08014	4.9
135.11679	16.1
137.09608	3.9
141.07007	2.7
142.07802	1.6
143.08575	6.1
145.10123	21.1
147.07980	1.4
147.11673	13.1
149.09613	6.5
149.13252	9.5
155.08542	3.4
155.10568	1.6
157.10139	7.0
159.11674	15.0
161.13246	4.6
163.11153	4.8
163.14816	1.5
169.10074	4.2
171.11697	3.3
173.13226	11.5
175.11183	4.0
175.14810	2.5
177.12616	1.5
181.10130	1.6
183.11572	2.0
185.13237	4.2
187.11327	1.8
187.14764	2.3
189.11211	1.9
195.16939	1.5
196.59174	1.5
199.14804	2.3
201.16386	2.7
203.14346	2.3
213.16373	2.2
215.17902	7.8
219.17473	1.8
229.14140	3.5
231.17406	2.3
233.18990	6.0
239.12651	2.3
247.16843	3.3
257.18939	2.6
269.17511	9.9
275.20010	11.6
283.19147	1.7
291.19354	1.8
307.22623	64.0
309.20599	3.5
321.20615	2.6
335.25742	7.3
349.23776	9.9
395.36060	1.7
445.34320	1.8
461.32425	6.2
487.33807	2.0
501.35733	22.6
515.37335	2.8
541.38629	9.3
555.56403	1.6
581.41760	15.4
599.42664	4.9
710.33124	1.6
720.39130	1.6
800.95343	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.5
57.07069	1.3
57.99500	1.1
61.02916	2.8
65.03940	2.3
67.05498	54.6
67.05863	2.8
69.03428	3.8
69.07059	15.5
71.04991	2.5
77.03943	1.6
79.05482	54.1
81.03416	6.4
81.07046	77.0
83.04977	3.8
83.08614	10.5
85.02894	2.0
85.06537	2.9
91.05471	36.1
93.06442	2.3
93.07037	49.1
95.04949	13.7
95.08591	33.0
97.02874	1.9
97.06518	4.2
97.10161	2.5
98.23512	2.8
99.08102	3.0
103.05484	1.3
105.04502	2.1
105.07018	28.0
107.04957	5.2
107.08585	20.2
109.06504	13.9
109.10141	12.8
111.08076	2.4
115.05393	1.2
117.07013	10.1
119.08582	19.9
121.06512	2.9
121.10112	20.0
123.08081	4.3
123.11733	4.7
125.09679	1.5
129.05481	1.4
129.06993	4.8
131.08559	13.7
133.10100	15.3
135.08037	4.1
135.11676	9.6
137.09624	2.8
139.11255	1.3
143.08594	2.5
145.10107	9.8
147.11671	13.5
149.09592	7.2
149.13254	4.9
151.11143	2.1
157.10150	4.1
159.11670	6.0
161.13248	2.6
163.11214	4.8
163.14888	1.3
165.12779	2.1
167.10736	1.6
169.10158	1.7
171.11690	1.9
173.13287	5.8
175.11188	2.9
175.14807	1.8
183.11659	1.6
185.13248	1.8
187.11151	1.7
187.14832	1.7
189.12772	1.5
191.14290	1.4
197.13258	1.3
211.14868	2.3
215.17934	6.7
229.15964	1.5
233.19003	6.1
241.14340	2.0
247.16934	3.2
255.16028	1.6
257.18915	1.9
261.22134	1.5
275.20032	29.9
281.17249	1.4
293.21097	8.0
307.22635	100.0
308.23105	3.1
321.20532	2.2
330.92685	1.2
335.25729	14.6
349.23685	18.2
367.20047	1.5
367.24722	30.9
368.25336	1.4
451.27194	1.2
501.35880	5.6
507.38815	1.4
541.38464	3.8
581.32843	2.4
581.41925	42.0
582.42017	3.2
599.42920	37.3
600.43286	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	796.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	18.7
61.02919	4.8
65.03902	4.3
67.05497	67.2
69.03424	5.9
69.07063	26.8
69.10661	18.2
72.73717	2.6
73.02918	4.2
79.05482	63.3
81.03430	4.5
81.07050	61.7
83.04975	5.8
83.08616	8.2
83.84450	2.5
85.02882	8.6
85.06515	5.0
91.03925	5.8
91.05471	50.1
93.07038	66.5
95.04947	13.9
95.08588	36.4
97.02898	3.6
97.06522	12.5
97.10130	4.8
98.23421	5.9
99.08048	3.2
105.04509	3.0
105.07021	34.8
107.04942	7.1
107.08595	24.9
109.06501	9.5
109.10147	15.9
111.08102	5.0
117.06974	14.4
119.08568	34.2
121.10121	34.4
123.08070	5.6
123.11696	7.0
129.07002	4.6
131.08578	19.9
133.10110	20.8
135.08040	5.0
135.11685	13.8
137.09569	3.2
143.08563	6.0
145.10086	22.1
147.11659	18.2
149.09612	12.6
149.13216	5.3
157.10153	5.0
159.11652	15.4
161.13264	5.4
163.11206	6.6
169.10149	3.6
171.11688	4.8
173.13173	6.2
175.11279	3.2
183.11703	5.0
184.07318	5.2
185.13220	7.2
187.14944	3.2
201.16385	4.8
203.14360	5.0
211.14642	3.3
215.17946	7.4
216.82011	2.6
219.17415	8.1
231.17529	3.2
233.19029	5.8
257.19031	8.1
267.15781	3.2
275.20071	34.2
307.22641	100.0
308.22992	4.5
349.23688	27.8
413.17865	4.0
446.97745	2.7
517.35193	2.9
520.29547	4.9
527.37299	3.8
581.42010	81.3
599.42700	12.4
682.17120	3.8
691.40039	3.8
692.40601	45.7
796.43536	8.6
797.43823	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	797.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67530	0.6
57.03440	3.0
61.02922	1.8
67.62313	0.5
69.03419	34.1
69.07067	0.6
70.07343	0.5
71.01325	0.7
73.02905	18.6
74.21542	0.6
79.05477	0.9
81.03397	2.2
85.02894	35.7
87.04458	0.7
97.02878	100.0
98.03235	1.2
98.23447	1.7
99.04448	1.2
105.07053	0.6
109.02872	3.2
115.03914	43.9
116.06609	0.5
118.86715	0.6
119.04917	0.7
121.02881	2.8
127.03899	8.1
135.04457	0.7
137.02322	0.7
139.03882	1.4
145.04956	0.9
147.04347	1.3
153.01810	1.7
153.05409	0.6
157.04939	92.5
158.05295	1.1
165.01788	0.9
175.05937	0.6
177.05359	0.7
193.04890	1.0
211.05998	1.7
217.07028	14.2
231.56516	0.6
241.13454	0.7
258.05038	0.7
281.72519	0.6
287.05450	65.7
288.05768	2.4
294.12540	0.8
299.05453	0.9
303.04953	4.5
325.06876	0.7
329.06531	0.8
356.18799	0.6
365.06467	0.7
419.09738	0.7
449.10648	9.3
450.10654	0.7
455.35275	0.6
503.11655	1.3
578.40955	0.7
750.67145	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73684	0.8
57.03415	1.1
61.02925	2.9
67.05488	3.6
69.03420	3.1
69.07064	1.9
69.20694	4.1
73.02922	3.6
76.56203	0.7
79.05488	3.8
81.03403	7.9
81.07058	2.5
83.05006	1.0
83.08626	0.9
85.02906	3.9
87.04496	0.7
91.03958	3.2
91.05476	5.7
93.07015	3.8
95.04984	1.4
95.08610	1.9
97.02882	4.3
98.23498	1.3
101.02408	1.5
105.03381	1.5
105.07029	1.8
107.05016	0.9
107.08594	1.1
109.10125	2.1
117.06978	1.4
119.08558	3.7
121.06494	1.9
125.09641	1.8
127.03923	1.4
129.07002	1.0
137.09644	2.4
147.08047	1.5
151.11279	1.0
165.09116	2.6
243.08359	5.1
255.12140	2.1
301.09146	1.0
311.14606	1.0
315.10455	0.9
347.18314	0.8
441.17538	0.9
473.19864	13.7
525.40814	0.9
541.97498	0.7
545.21716	1.2
548.44147	0.8
551.28571	0.8
565.25726	3.8
701.88879	0.9
721.39008	0.8
797.39276	100.0
798.39349	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	797.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.5
61.02920	4.6
67.05488	5.3
69.03419	3.8
69.07072	2.9
71.04984	3.3
71.38350	0.4
73.02903	4.1
79.05475	4.2
81.03394	3.7
81.07047	4.1
83.04971	1.2
83.08610	1.5
85.02883	5.6
91.03943	3.0
91.05455	3.5
93.07037	3.9
95.04954	2.5
95.08598	2.2
95.25885	0.5
97.02882	5.0
97.06516	1.1
97.10146	1.0
98.80424	0.5
99.04455	1.6
101.02358	1.9
103.03928	0.7
105.03382	5.6
105.04514	0.6
105.07002	1.6
106.03679	0.7
107.08573	2.1
109.02851	1.1
109.06508	1.0
109.10140	3.8
111.04446	0.8
111.08074	0.8
117.07015	0.6
119.08580	2.2
121.10130	1.9
123.08054	0.9
123.11759	0.5
125.09573	0.5
127.03918	2.1
129.07018	0.5
131.04903	1.0
131.08536	0.6
133.10118	1.0
135.08118	0.7
135.11696	2.1
137.09613	1.4
145.10147	1.0
147.11659	0.8
149.09599	1.1
163.11269	0.7
173.08340	0.5
173.11813	0.7
185.04201	1.2
193.12262	0.6
235.03067	0.6
243.08398	5.0
244.37219	0.5
253.14206	1.2
254.32091	0.6
275.19955	0.5
301.08875	2.1
313.08975	0.7
315.10413	0.8
333.20367	0.7
349.19797	1.5
373.10895	1.3
385.18198	0.8
429.17157	0.7
443.18829	1.5
455.18839	1.7
469.20352	1.1
471.21979	7.9
477.80496	0.6
487.21188	1.7
497.19391	0.7
513.26044	0.6
527.21143	1.0
543.23981	0.8
551.27979	2.8
567.27521	3.1
681.35687	0.6
693.34119	0.8
797.42914	100.0
798.43317	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	797.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.3
61.02932	2.7
67.05491	7.0
69.03423	4.8
69.07070	2.4
71.04993	1.3
71.43605	1.0
72.30914	0.9
73.02921	3.2
79.05454	4.8
81.03424	1.9
81.07051	4.9
83.04963	1.1
85.02915	3.5
91.03956	1.7
91.05469	5.1
93.07038	4.4
95.04975	1.2
95.08607	3.3
97.02917	2.8
101.86401	1.0
105.07045	3.2
107.04944	1.5
107.08590	2.4
109.10174	2.7
112.07613	4.0
117.07014	1.1
119.08600	3.6
121.06539	1.2
121.10149	2.6
123.08036	1.1
127.03921	1.8
131.08583	3.4
133.10155	1.6
140.07071	5.7
145.10138	4.1
147.11644	1.3
149.09662	1.5
159.11691	1.5
159.28574	0.9
161.09648	1.1
163.11215	2.1
219.17372	1.4
243.08466	3.1
247.16875	1.5
275.19952	2.2
282.60080	0.9
301.07309	1.2
307.22610	1.8
310.58109	1.1
505.24091	13.2
533.27063	7.2
631.44031	1.0
636.41071	1.9
707.37677	15.1
797.44250	100.0
798.44995	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	798.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	2.6
57.03417	3.4
61.02917	7.1
65.03939	1.3
67.05493	14.4
68.05012	1.8
69.03423	6.9
69.05813	0.9
69.07065	3.1
69.67290	1.2
69.67680	1.6
70.06586	8.1
71.04984	100.0
72.04487	0.9
72.05332	0.8
73.02901	4.4
73.21210	0.7
79.05482	21.3
81.03397	4.4
81.07049	10.0
82.06567	1.1
83.04986	2.2
83.08610	4.2
84.04507	0.7
84.08135	3.9
85.02896	7.8
86.06054	6.9
86.95087	0.8
88.03990	5.1
91.03961	2.1
91.05475	9.0
93.07036	13.1
94.06536	1.0
95.04945	4.6
95.08594	5.0
96.08114	11.1
97.02880	6.0
97.06458	0.8
97.10155	4.3
98.06065	3.6
99.04480	1.0
101.02380	1.6
105.03408	0.9
105.04530	1.1
105.07011	4.0
106.06557	1.7
107.04976	1.2
107.08601	6.0
109.02877	0.9
109.06516	1.3
109.10158	3.6
109.82926	0.6
111.08073	1.8
112.07598	5.8
114.05563	1.1
117.07017	2.7
119.08601	2.8
121.10126	6.4
123.08083	1.3
123.11744	0.8
124.07547	4.5
125.09611	4.5
131.08565	1.8
133.10118	1.6
135.08057	2.5
135.11732	1.9
140.07065	0.8
141.07857	1.7
141.97847	0.7
142.08598	5.9
145.10126	1.7
147.11728	1.6
153.09096	1.6
158.08104	11.9
158.09314	1.0
159.11722	0.9
163.11235	0.8
169.70110	0.8
170.08118	3.5
173.13284	0.7
189.11250	1.5
202.10854	1.0
215.17928	1.1
227.12921	2.9
248.16780	0.8
282.20560	0.7
294.17154	0.9
307.22629	8.3
308.22894	1.1
384.32776	0.8
636.41327	1.6
695.36133	1.6
708.40289	1.9
798.46204	90.0
799.34003	1.2
799.46985	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	799.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.4
58.06602	0.9
61.02922	4.5
69.03422	33.9
71.04976	3.8
73.02907	1.0
81.02952	1.2
81.03408	17.6
83.01321	2.3
83.04962	1.8
85.02895	80.2
86.06036	1.1
97.02880	69.9
98.23482	1.4
99.03813	0.8
99.04440	12.7
101.02390	1.0
109.02866	90.9
110.03201	1.4
110.71879	0.7
111.04444	0.9
113.74885	0.6
115.03922	1.1
116.10734	1.3
119.08588	0.8
121.02861	2.3
127.03899	56.9
129.05495	1.5
139.03844	4.8
140.07028	1.0
140.79944	0.7
145.02853	1.3
145.04933	17.1
153.01848	2.8
165.01758	0.9
168.06487	0.8
169.04947	11.1
177.05461	2.3
187.04277	0.9
187.05998	26.7
205.07043	49.0
213.05389	1.0
255.11139	2.2
287.05457	100.0
288.05789	2.2
292.46173	0.7
297.12186	0.7
303.04886	1.0
315.13400	10.6
396.23856	0.7
408.20761	0.7
433.11288	5.0
460.61691	0.7
491.11523	0.9
522.28772	0.8
619.27319	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	799.2277
Annotation	Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03417	0.5
61.02902	0.5
61.03171	0.1
65.03942	0.2
68.99782	0.2
69.03419	4.8
69.57111	0.5
71.04976	0.8
73.02886	0.5
79.05492	0.1
81.03406	6.2
83.01305	0.1
83.04969	1.3
85.02892	5.9
86.06046	0.3
87.04427	0.1
91.05436	0.2
95.04939	0.3
97.02880	3.2
99.04430	1.1
103.03927	0.2
105.03365	0.2
107.04906	0.3
109.02866	4.1
111.00788	0.5
111.04422	0.9
115.03890	0.2
116.10709	0.3
119.04903	0.2
121.02846	2.0
121.03665	0.2
127.03893	3.9
129.05453	1.4
133.02815	0.4
133.04918	0.1
133.43581	0.1
137.02330	0.6
137.05997	0.1
145.04932	1.4
145.10068	0.1
147.04376	0.8
147.06461	0.1
153.01804	2.8
157.06410	0.2
160.57106	0.1
165.01811	1.5
169.05055	0.2
171.04373	0.2
175.03926	0.2
177.05461	0.2
183.02878	0.7
185.05939	0.3
187.05994	3.8
187.11018	0.1
188.06358	0.1
189.05467	0.1
197.06024	0.2
205.07063	0.9
207.06490	0.4
212.16394	0.1
213.05438	1.1
231.06447	0.4
237.07651	0.2
241.04897	0.5
255.08606	0.2
258.05130	0.7
259.05902	0.3
286.04556	0.2
287.05441	100.0
288.05777	2.8
303.04633	0.2
329.06506	0.5
395.07492	0.2
433.11200	4.5
434.11478	0.2
449.10599	0.2
491.11710	0.3
504.28168	0.2
595.15839	0.2
799.31451	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	799.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.2
61.02905	2.3
69.03416	9.2
69.08663	1.1
69.09071	1.4
71.01337	0.6
71.04984	2.8
73.02901	1.1
75.04436	0.5
75.44551	0.4
81.03403	14.0
83.01326	1.7
83.04963	1.4
85.02888	100.0
86.03225	0.7
97.02876	97.6
98.03207	0.9
98.23510	0.7
99.00745	0.4
99.04443	7.7
101.02364	1.0
103.03936	0.6
105.07007	0.4
109.02859	33.0
110.03204	0.5
111.00764	0.4
111.04441	1.0
112.73298	0.4
113.97564	0.3
115.03876	0.7
116.10716	0.4
119.04895	0.7
121.02843	1.8
127.03892	33.2
128.04178	0.4
129.05457	0.9
130.87698	0.3
133.02832	0.5
137.02393	0.5
139.03880	2.2
145.04924	10.0
147.04382	1.5
153.01776	2.1
165.01799	0.9
169.04938	4.1
175.03905	0.9
177.05453	1.1
178.04906	0.4
183.02878	0.6
187.05983	27.1
188.06331	0.4
195.11771	0.4
205.07037	27.2
206.04440	1.2
206.07416	0.6
207.06468	1.5
208.06892	0.7
213.05397	0.8
231.06448	0.5
241.04808	0.5
258.05292	0.6
262.82346	0.3
287.05447	66.2
288.05774	1.8
303.04922	0.7
309.75311	0.4
317.70917	0.4
405.84451	0.4
433.11227	2.6
684.76001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2281
Annotation	Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03423	2.2
61.02922	4.3
65.82722	0.4
67.05495	0.6
68.76589	0.4
68.99774	0.8
69.03420	42.9
69.60832	1.9
71.04998	3.4
73.02953	0.5
75.76411	0.5
81.03406	17.6
83.01331	2.1
83.04956	1.5
84.41811	0.5
85.02894	49.5
87.04494	0.7
91.05459	0.6
97.02885	43.4
99.04444	11.5
101.02415	0.5
104.37332	0.5
104.77694	0.4
109.02864	99.7
109.33985	0.5
110.03194	1.2
111.00748	1.0
111.04440	1.2
114.06214	0.5
115.03912	1.7
117.03353	0.6
121.02851	2.3
127.03899	55.9
129.05496	1.1
137.02287	1.0
139.03908	6.4
145.02965	0.9
145.04939	17.0
147.06456	0.5
153.01793	2.5
165.01836	1.3
169.04948	13.2
177.05479	2.3
187.05994	17.8
205.07045	29.2
206.07286	0.5
206.39479	0.5
213.05370	1.2
237.33069	0.5
241.04926	0.7
258.05237	0.7
259.06042	0.6
282.09302	0.5
287.05457	100.0
288.05914	2.9
315.13272	2.8
432.85257	0.6
433.11227	3.7
439.57083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
60.21153	0.2
61.02922	1.2
67.05516	0.3
67.40722	0.2
68.99794	0.2
69.03420	5.0
69.07039	0.5
70.06576	0.4
71.01320	0.3
71.04981	1.4
73.02911	1.0
78.62836	0.2
79.05454	0.4
81.03400	3.3
83.01316	0.3
83.04975	1.3
85.02888	10.1
86.06040	0.6
97.02882	5.1
99.04449	1.8
103.03938	0.2
107.08625	0.2
109.02863	8.4
111.00800	0.4
111.04429	1.1
115.02627	0.2
115.03893	0.4
116.10734	0.9
121.02847	1.7
121.06450	0.2
127.03896	8.2
129.05460	1.2
133.02802	0.5
133.04926	0.5
137.02327	0.5
139.03882	0.5
142.08633	0.4
145.02826	0.2
145.04919	3.3
147.04373	0.5
147.06488	0.3
153.01790	2.6
157.06496	0.3
165.01826	1.3
168.06461	0.2
169.04973	1.0
171.04410	0.2
177.05505	0.5
183.02905	0.6
185.05901	0.2
187.06001	4.2
198.20616	0.2
198.57443	0.2
205.07045	4.1
205.08958	0.2
212.16324	0.4
213.05444	0.8
225.10190	0.3
227.08195	0.2
231.06496	0.7
241.04919	0.5
255.11212	0.9
258.05243	1.0
259.06161	0.3
269.12769	0.3
287.05450	100.0
288.05759	2.8
293.08875	0.2
297.12411	0.2
303.05014	0.3
305.14932	0.2
315.13361	5.9
329.06677	0.2
329.21637	0.2
374.21680	0.2
433.11224	4.9
449.10596	1.9
491.11343	0.3
595.16656	0.4
598.01062	0.2
599.86743	0.2
616.15295	0.2
618.33887	0.2
652.06390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
58.84699	0.4
59.04993	0.8
61.02925	4.1
65.03925	0.4
67.05494	2.9
69.03420	3.5
69.07063	1.9
69.12502	2.8
71.04628	0.4
71.04985	1.6
73.02916	3.2
79.05489	3.2
81.03406	9.1
81.07044	2.7
83.05000	0.6
83.08617	0.9
85.02890	4.7
87.04427	0.4
91.03936	2.1
91.05474	4.4
93.07018	4.1
95.04988	1.2
95.08601	2.1
97.02883	4.0
97.06567	0.7
97.10181	0.6
98.83134	0.4
99.04462	0.5
101.02381	1.3
103.03941	0.7
105.07045	1.3
107.04906	0.5
107.08601	1.6
109.02871	1.0
109.06511	0.9
109.10156	2.2
111.04455	0.5
117.06982	0.7
119.08566	4.2
121.06520	2.1
121.10130	0.7
123.08096	1.2
125.09613	1.0
127.03926	1.0
129.07014	0.7
131.08554	0.8
131.50575	0.4
133.78084	0.4
135.08087	0.7
135.11758	0.5
137.02296	0.4
137.09636	1.9
147.08046	1.5
149.09685	0.8
153.09123	0.5
157.10092	0.5
163.11186	0.4
165.09081	3.1
185.04263	0.9
200.25639	0.4
233.87108	0.4
239.12813	0.6
243.08374	4.1
255.12094	2.4
259.07858	0.5
281.13800	0.5
283.15100	0.6
301.08929	0.5
301.42877	0.5
311.14728	0.6
313.09024	0.5
315.10638	0.7
349.19931	1.9
405.22443	0.7
423.16837	0.5
439.29251	0.5
441.17609	0.5
473.19919	13.5
474.20624	0.7
501.22803	1.8
528.22614	0.5
539.17676	0.6
539.24463	2.5
545.22223	0.9
559.23438	0.6
567.27472	3.9
568.28363	0.5
573.25201	0.5
615.29016	0.6
637.35773	0.6
683.32135	1.2
799.40741	100.0
800.40826	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	799.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.5
61.02914	8.9
67.05498	10.2
69.03429	5.6
69.07063	4.2
73.02896	7.0
79.05480	10.5
81.03419	3.1
81.07053	13.2
83.04966	2.7
83.08632	2.6
85.02897	7.1
91.03967	3.9
91.05501	5.5
93.07038	10.7
95.04973	5.3
95.08593	7.1
97.02904	6.6
97.10166	2.1
101.02340	3.2
105.07064	4.4
107.04184	1.6
107.08591	2.4
109.10184	4.2
117.07018	1.7
119.08564	1.6
121.10156	3.2
133.10149	2.7
147.11737	1.7
185.04317	1.7
200.83214	1.6
223.13298	2.5
243.08446	2.3
291.19455	1.5
309.24374	2.0
310.24420	1.6
331.18726	1.9
409.72211	1.5
477.26947	1.4
491.26212	7.3
549.26691	2.4
588.91791	1.8
799.45892	100.0
800.45874	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	800.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.6
60.93435	0.6
65.03944	0.5
67.05489	4.4
69.07053	1.4
69.31091	2.7
70.06567	0.6
71.04986	3.5
71.41280	0.5
77.49899	0.6
77.79182	0.5
79.05470	2.0
81.03407	1.2
81.07046	3.7
83.04951	0.5
83.08638	1.0
84.08133	21.4
85.02876	1.0
85.06541	0.8
86.09695	100.0
87.10085	0.7
91.04012	0.7
91.05464	2.1
93.07047	1.8
95.04969	3.9
95.05486	0.7
95.08576	1.0
97.02855	0.7
97.06509	0.7
98.09692	0.6
99.05568	1.9
103.05463	1.8
105.03397	0.7
105.07037	2.1
107.04940	0.8
109.06519	0.6
109.10193	0.7
110.09660	0.8
112.07581	0.7
112.11227	3.3
117.07066	0.6
119.08585	0.9
120.08089	34.5
124.07629	0.7
131.23331	0.6
134.20747	0.5
138.09126	3.8
142.08636	0.8
147.09131	1.0
150.26176	0.5
154.15898	9.1
155.11862	1.1
157.10068	0.7
157.13345	10.4
163.11121	0.6
166.08624	4.4
175.08607	2.7
183.11314	1.9
184.09625	0.8
185.12852	13.2
188.14336	3.7
199.18019	15.3
199.19850	0.8
201.12276	0.6
209.16527	0.9
219.11276	0.8
223.18024	1.5
225.19586	2.9
227.17532	14.1
231.14969	5.6
233.16466	4.9
240.13538	1.3
251.17583	2.2
253.19150	2.5
259.14502	3.7
259.17953	1.5
261.15945	4.6
267.24268	3.6
277.15503	3.8
279.16986	2.8
287.17484	1.6
295.23633	3.1
296.19720	1.8
298.21201	9.8
299.21249	1.7
301.22769	2.9
302.18604	0.6
328.00284	0.6
329.22232	1.9
330.18173	2.7
332.19781	1.5
340.25897	3.7
348.19080	0.8
364.25662	0.8
366.27585	1.4
372.22766	0.8
374.24359	1.6
383.30209	2.5
390.23679	3.6
392.25473	1.7
398.24304	1.2
409.28043	0.9
411.29562	9.0
445.27850	1.8
453.34427	0.8
459.32980	1.0
479.35712	1.1
487.32791	1.6
496.38574	2.1
503.32370	3.2
505.33841	2.0
522.36700	0.6
524.38153	3.7
530.37177	0.7
555.39014	0.6
556.34912	1.8
558.36176	2.0
574.36273	0.7
600.40973	1.7
603.34821	0.9
607.14111	0.6
616.40326	4.0
618.42297	1.4
624.40540	1.4
626.42651	0.8
635.44299	1.2
641.43518	1.2
643.45032	1.6
669.43127	5.5
671.44830	3.0
687.44275	0.9
695.37994	0.6
737.48993	1.2
754.52014	3.4
764.49554	0.8
782.51770	10.2
783.51184	0.9
800.35089	0.8
800.53027	8.5
801.51758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69942	0.3
57.03428	1.7
61.02914	2.2
61.38775	0.3
64.21118	0.3
68.99791	0.4
69.03058	0.6
69.03419	9.4
71.04979	1.3
73.02908	8.3
81.03410	5.3
81.58623	0.3
83.01333	0.4
85.02891	23.1
87.04424	0.5
97.02878	27.9
99.04452	4.0
103.03905	0.3
109.02862	13.2
111.00790	0.7
115.03916	2.2
118.43016	0.4
119.07555	0.3
121.02850	0.7
126.87929	0.3
127.03898	13.9
133.04930	1.4
135.04349	0.3
137.02298	2.0
139.03899	0.8
145.04932	13.0
153.01801	2.6
154.14258	0.3
163.03857	0.8
165.01801	1.7
169.04968	1.6
177.05469	0.4
183.02859	0.6
187.05978	7.4
188.90892	0.3
201.05470	0.6
205.07039	19.6
229.04933	2.5
247.05981	0.7
257.04477	2.3
274.04773	0.6
275.05429	0.6
283.08142	0.7
285.03955	1.3
303.04935	100.0
304.05276	2.6
315.04858	0.6
345.05786	0.4
390.76752	0.3
435.08313	0.4
465.10233	18.9
466.10193	1.0
507.11227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.3
61.02920	7.5
64.30261	0.6
69.03420	42.6
69.59418	0.8
69.59766	2.1
70.06570	0.7
71.01338	1.5
71.04976	2.0
73.02909	20.4
81.02953	0.9
81.03410	13.2
83.01334	2.4
85.02893	49.8
86.03220	0.7
87.04504	0.7
97.02879	44.5
99.04443	13.0
106.97708	0.5
109.02865	100.0
110.03191	1.0
111.00765	0.8
115.03920	6.2
121.02845	1.3
127.03899	67.3
133.04941	2.1
137.02322	3.0
139.03874	7.0
145.04941	17.9
147.04384	0.9
153.01804	2.0
165.01741	0.8
169.04933	17.6
175.05949	0.8
177.05438	2.0
183.02982	0.7
187.05997	27.0
193.04860	0.8
201.05452	1.7
205.07045	94.4
206.07387	1.5
229.04901	3.3
232.58994	0.7
241.07100	0.9
257.04483	1.7
283.07990	1.5
285.03827	1.2
303.04944	98.1
304.05234	3.5
387.06799	0.7
444.07837	0.6
465.03558	1.3
465.10199	19.9
466.10358	0.9
473.55432	0.6
785.27563	0.7
800.34296	0.8
801.33453	0.8
812.94568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
60.82844	0.6
61.02921	7.8
67.05495	6.1
69.03433	3.8
69.07069	0.9
69.29539	2.9
71.04967	0.6
71.73309	0.5
73.02905	4.3
77.14532	0.5
79.05489	7.0
81.03430	2.0
81.07047	5.6
83.04993	0.6
83.08617	0.9
85.02902	5.7
91.03945	4.3
91.05471	3.7
93.07033	5.4
95.04994	1.9
95.08593	4.0
97.02881	5.4
99.04489	1.2
101.02383	1.2
104.75040	0.5
105.07017	2.5
107.08598	1.8
109.02888	1.3
109.06537	0.6
109.10175	2.2
112.12704	0.5
119.08598	1.9
121.10123	2.7
127.03948	1.9
131.08621	1.1
133.10175	1.1
135.11707	1.2
145.10135	1.5
159.11737	0.6
170.58218	0.5
185.04303	1.0
199.51617	0.5
203.05461	0.7
243.08383	3.1
270.45151	0.5
294.74469	0.6
307.22684	0.8
333.20319	3.5
337.44516	0.6
491.26111	7.8
527.50867	0.5
551.28583	2.3
645.20221	0.6
801.47449	100.0
802.47906	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	801.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
61.02902	5.0
67.05499	3.6
69.03423	2.8
69.70618	2.5
73.02915	3.3
79.05477	4.7
79.06747	0.9
81.03419	1.4
81.07050	4.9
83.08614	1.2
85.02908	3.5
91.03980	1.9
91.05482	2.6
93.07024	4.6
95.08623	2.6
97.02869	5.2
97.10159	1.5
105.07057	1.8
107.08550	1.9
109.10166	0.9
121.10189	1.7
125.09678	1.3
127.03886	1.3
131.08501	0.9
185.04207	1.1
186.34750	0.8
191.34451	1.0
203.05498	0.9
243.08318	1.3
294.47452	0.9
307.23044	1.2
333.20291	5.8
355.50482	1.0
491.25912	7.0
551.28302	2.1
596.00427	0.9
616.45593	1.1
801.47400	100.0
802.47687	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	801.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.8
58.45726	0.4
61.02913	5.8
61.70640	0.4
65.03922	0.5
67.05496	6.0
69.03406	3.2
69.07059	1.2
69.18896	1.7
71.01337	0.4
73.02903	3.8
79.05480	4.7
81.03408	1.7
81.07042	4.1
83.08607	0.7
85.02891	5.3
87.04468	0.6
91.03941	2.8
91.05451	3.0
93.07031	5.1
95.04964	1.4
95.08594	3.1
97.02879	4.8
98.23523	0.7
99.04443	0.7
101.02346	1.9
105.04469	0.5
105.07046	1.3
107.04922	0.4
107.08601	1.7
109.02885	0.8
109.10157	1.6
117.07031	0.8
119.08595	1.7
121.10126	2.4
123.07998	0.4
123.11780	0.4
124.13268	0.4
126.29103	0.4
127.03925	1.2
131.08597	1.0
133.10132	1.0
135.11679	1.1
145.10133	1.1
147.11670	0.5
159.11691	0.5
164.61877	0.4
187.11066	0.4
214.96005	0.4
243.08432	1.7
313.30872	0.4
333.20346	3.2
446.65344	0.4
491.26019	7.3
519.29407	0.9
523.25201	1.1
551.27917	2.1
801.47406	100.0
802.47736	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	801.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
61.02919	6.9
65.03944	0.3
66.35965	0.3
67.05495	6.2
69.03424	4.0
69.06725	0.4
69.07048	1.5
69.71488	1.0
71.01341	0.5
71.04989	0.7
73.02906	5.2
79.05479	5.9
81.03411	2.3
81.07051	7.5
83.04985	0.6
83.08640	0.9
85.02895	6.0
86.74697	0.3
87.04501	0.4
91.03947	5.0
91.04493	0.4
91.05470	3.3
93.07039	4.7
95.04974	1.3
95.08592	4.6
97.02876	6.1
97.06538	0.7
98.23376	0.6
99.04456	1.3
101.02363	2.5
103.03976	0.4
105.07025	1.8
107.08585	2.4
109.02877	1.1
109.06512	0.9
109.10135	1.7
115.03951	0.6
117.07014	1.1
119.08578	1.8
121.10115	2.5
123.08050	0.5
123.11731	0.7
127.03902	2.2
131.08580	1.2
133.10120	1.6
135.11726	0.9
145.04967	0.6
145.10164	0.9
147.08153	0.4
147.11707	0.8
149.09569	0.4
149.13290	0.6
151.11180	0.3
157.10176	0.5
159.11729	1.1
173.13205	0.4
185.04211	0.7
199.39091	0.3
203.05287	0.9
212.52837	0.3
239.11858	0.3
243.08342	3.4
260.21637	0.3
275.19818	0.3
305.17236	0.9
307.22748	0.6
333.20261	4.6
379.52908	0.3
423.20264	0.7
442.91794	0.3
481.20654	0.4
491.26053	9.8
519.29358	1.0
523.25104	1.3
551.28375	3.2
563.28119	0.4
632.40771	0.4
639.42261	0.5
673.39417	0.5
786.61188	0.4
801.47418	100.0
802.47675	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	801.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19567	0.2
57.03430	3.2
61.02920	9.7
65.03934	0.5
67.05153	0.5
67.05498	7.6
69.03417	5.9
69.07062	1.6
69.11656	1.5
71.01341	1.0
71.04981	0.8
73.02908	6.1
77.03925	0.2
79.05482	8.6
79.43336	0.2
81.03413	3.2
81.07043	6.4
81.07494	0.4
83.04975	1.2
83.08611	1.9
85.02894	9.0
85.06517	0.3
87.04469	0.6
91.03944	4.9
91.05475	4.5
91.39548	0.2
93.07034	8.6
95.04952	3.2
95.08596	4.8
97.02879	8.6
97.06525	0.7
97.10188	0.7
99.04442	2.0
99.08117	0.3
101.02369	2.9
103.03976	0.5
105.04514	0.7
105.07011	3.2
107.04967	0.4
107.08578	2.8
109.02850	1.3
109.06519	0.5
109.10142	2.0
111.04443	0.7
111.08069	0.6
115.03942	0.7
117.07012	1.5
119.08561	1.8
121.06480	0.5
121.10120	4.1
123.08065	0.8
123.11730	0.7
125.09613	0.5
127.03893	2.4
129.05457	0.4
129.06970	0.3
131.08556	1.3
131.42029	0.2
133.10107	1.8
135.11694	1.5
145.04947	0.3
145.10121	1.5
147.11699	1.0
149.09621	0.9
149.13284	0.4
157.10077	0.2
159.11650	0.6
161.13295	0.4
163.11156	1.2
165.12723	0.4
173.13272	0.4
177.12794	0.3
185.04274	1.0
203.05263	0.9
223.13370	0.3
240.53499	0.3
243.08333	3.2
275.20239	0.4
307.22757	1.1
333.20279	3.5
368.96701	0.3
389.22964	0.7
491.26071	10.3
492.26599	0.5
551.28235	4.8
552.29132	0.3
639.41821	0.4
801.47430	100.0
802.47754	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	801.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
61.02923	5.7
67.05499	5.9
67.89486	0.7
69.03420	8.5
69.07062	2.1
71.04949	0.8
73.02901	4.6
79.05477	6.7
81.03414	1.9
81.07055	5.5
83.04956	0.9
83.08649	1.5
84.92364	0.8
85.02888	4.7
88.12429	0.7
88.57965	0.7
91.03960	2.8
91.05460	8.5
91.05869	0.8
93.07033	7.0
95.04987	2.3
95.08598	3.1
97.02856	4.3
97.06533	1.2
99.04467	0.9
101.02390	1.6
103.03931	0.8
105.07018	5.5
107.08607	3.6
109.06493	1.0
116.51656	0.9
117.07056	2.4
119.08597	2.7
121.10155	2.6
127.03900	1.1
131.08545	2.3
133.10129	3.8
135.08037	0.8
135.11740	1.9
145.10085	1.2
147.11717	2.3
161.13240	0.9
171.11731	1.3
185.04112	1.2
201.03839	0.8
219.41649	0.8
221.09126	0.9
237.84448	0.7
243.08498	3.1
289.17883	1.5
301.09113	1.5
315.10617	1.4
317.20853	1.0
437.18173	1.2
507.25735	9.2
535.28564	5.8
607.31030	2.2
621.41486	0.9
660.09821	1.1
739.23480	0.9
770.94867	0.9
801.47406	100.0
802.47723	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	802.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	2.7
58.06598	11.5
58.48254	0.9
67.05500	1.7
67.06633	1.0
68.05020	1.3
69.03416	1.1
71.04996	1.2
75.04465	5.2
75.54575	0.9
77.03930	3.1
78.58570	0.8
79.05494	3.2
81.03404	1.7
81.07066	3.7
82.76931	0.8
84.08076	0.9
85.02911	3.0
87.04438	1.1
88.07648	1.5
91.05476	4.4
93.07051	1.8
94.06553	1.3
95.04951	17.1
96.08122	0.8
97.02962	0.9
97.06558	1.1
105.03381	98.0
105.04539	6.6
105.07043	2.0
106.03705	1.2
107.04952	1.1
107.50098	1.0
108.08113	3.1
109.06526	3.0
111.07384	1.3
111.08070	7.5
115.05484	2.4
117.07025	3.7
119.04948	1.6
121.06506	1.3
122.09708	2.4
123.04362	0.9
124.07546	0.9
124.98420	0.9
128.06215	1.1
129.06972	4.7
131.04903	0.9
131.08524	4.8
134.09612	1.8
135.08072	1.7
137.05991	2.4
141.07024	2.0
141.09109	1.2
143.08568	2.0
145.06487	2.0
146.09708	2.0
147.04425	1.1
147.08089	1.5
152.10684	8.8
153.06931	1.7
155.08603	2.4
158.09712	2.9
159.08052	1.5
160.11191	2.0
161.09639	2.0
165.05559	1.3
165.06937	1.8
167.07135	0.9
167.08549	1.8
171.08125	1.0
172.11267	2.0
173.09583	1.0
174.09090	9.3
177.05431	1.5
178.07701	1.6
178.12263	2.4
179.08578	3.5
180.15233	0.9
181.06447	1.0
181.10168	1.6
182.07393	0.9
184.11246	3.2
185.12029	1.0
186.12776	2.4
188.07167	1.6
190.07768	2.1
190.12248	1.9
191.08629	2.9
192.09354	1.1
193.10033	1.7
196.11403	1.0
197.09692	1.0
198.12807	1.3
202.07869	3.2
202.12334	1.4
203.08522	1.8
204.09442	1.4
205.10204	3.4
209.09769	1.0
211.11084	0.8
215.08669	1.2
216.13966	1.0
217.10126	2.3
218.15384	12.5
219.08049	1.9
220.08931	1.2
221.09593	1.7
232.08749	1.5
233.09639	2.9
245.09845	1.0
247.11287	1.8
249.09265	1.3
251.10684	1.3
261.09143	2.1
263.10583	1.1
276.13837	1.0
277.02380	1.0
290.15338	1.1
306.15155	1.3
318.14905	1.6
322.18152	2.1
350.17551	3.9
354.20529	5.5
382.20175	1.5
386.23257	1.8
410.19531	7.3
414.22794	2.7
437.62991	1.0
446.25421	5.3
472.21320	1.3
476.24438	6.0
478.21533	1.2
504.24014	1.7
508.26843	1.2
536.26459	7.3
568.29010	8.3
569.29401	1.2
596.28644	3.2
628.31036	49.6
629.31201	5.1
740.62061	1.0
802.32666	100.0
803.33032	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	802.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	1.9
58.06597	12.0
63.12638	1.0
69.14075	6.2
71.04973	1.2
75.04469	4.7
76.33058	1.0
77.03926	4.0
79.05504	3.4
81.03420	1.1
81.07055	1.9
85.02894	1.8
85.06618	1.0
91.05437	5.6
94.06597	1.3
95.04951	15.9
105.03376	100.0
105.04405	6.6
105.06997	1.9
106.03745	1.4
108.08131	2.7
109.06526	2.5
111.08070	6.8
115.05444	1.8
117.07037	2.7
121.06535	1.9
122.09673	2.4
128.06200	1.8
129.06973	6.4
131.08545	4.9
134.09666	1.3
135.08051	1.4
137.06036	2.0
138.09219	1.3
141.07039	1.3
143.08582	2.1
146.06044	1.2
146.09630	1.6
147.04465	2.2
147.08028	1.4
152.10667	8.2
153.07053	2.1
155.08571	1.7
158.09669	2.9
159.08052	2.3
160.11314	1.6
161.09648	1.7
162.09106	1.4
164.10713	1.2
165.05634	1.1
165.07024	2.3
167.08687	1.4
172.11232	2.3
174.09103	7.0
177.05504	2.1
178.07855	1.5
178.12242	2.0
179.08623	1.6
181.10220	2.3
184.11244	2.8
186.12805	3.4
188.07108	2.2
190.07845	1.1
190.12239	2.2
191.08586	2.4
193.10207	1.5
195.08136	1.6
202.05782	1.2
202.07707	2.1
203.08542	2.2
205.10245	3.2
215.08681	2.4
216.09473	1.2
216.13913	1.7
217.10187	2.9
218.15410	9.3
219.08092	1.4
233.09711	2.9
234.12851	1.0
245.09599	1.4
251.10750	1.2
261.09207	3.6
265.12280	1.6
293.12106	1.1
305.14133	1.2
316.71567	1.3
318.14972	1.7
322.18030	1.7
350.17526	2.6
354.20578	5.3
380.82233	1.1
386.23380	1.6
389.56897	1.0
410.19601	5.5
414.22900	3.6
446.25540	2.9
476.24414	6.0
504.23804	4.2
508.27298	2.0
536.18262	1.6
536.26056	7.4
549.01990	1.1
568.28979	6.6
596.28546	2.4
628.31042	37.8
629.31488	3.3
758.33801	2.2
802.32623	95.5
803.33051	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	802.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	11.2
57.07085	1.2
59.04986	4.1
61.02923	3.4
65.03941	1.4
67.05496	27.6
69.03412	4.4
69.07058	21.8
70.56716	1.9
71.01329	1.6
71.04983	2.8
71.08629	1.3
73.02913	1.7
77.03918	1.0
79.05482	29.3
81.03407	12.3
81.07046	45.0
83.04974	9.6
83.08607	19.0
85.02905	5.1
85.06519	2.2
86.09679	1.1
91.03934	2.1
91.05466	34.2
93.07031	31.8
94.07398	1.0
95.04951	14.8
95.08588	11.1
97.02888	9.3
97.06529	8.7
97.10156	12.3
99.00803	20.6
99.04439	0.9
99.08046	1.1
101.02357	1.1
103.05490	1.1
105.03345	1.1
105.04516	1.2
105.07018	25.9
105.07722	1.8
107.04945	12.3
107.08578	18.6
109.02856	13.6
109.03529	1.1
109.06504	9.1
109.10130	12.1
111.04432	5.5
111.08076	8.5
113.98988	0.9
115.03921	3.7
115.05444	1.9
117.07008	8.9
119.04979	1.6
119.08568	21.6
120.08900	0.9
121.02887	1.2
121.06494	13.8
121.10089	4.9
123.04414	4.8
123.08036	4.5
123.11688	4.0
125.09624	9.1
127.03939	5.1
128.06203	1.8
129.06979	2.9
131.08548	6.5
133.06482	4.9
133.10107	44.5
134.10464	0.9
135.04378	1.7
135.08023	16.5
135.11687	4.2
137.05969	3.6
137.09576	5.1
139.07553	3.7
143.08531	9.0
145.06473	4.9
145.10092	7.8
147.04387	1.2
147.08072	4.7
147.11650	2.6
149.09590	2.8
151.11168	13.6
153.09058	1.9
153.12715	2.1
155.08504	2.5
157.10086	2.5
159.08052	4.0
159.11641	1.7
161.09592	23.9
163.07553	7.6
163.11140	5.6
165.09042	1.9
171.07942	4.5
171.11632	1.1
173.09575	3.0
175.11160	2.8
177.09213	1.3
179.10637	15.0
181.12103	1.4
183.11694	1.3
185.09483	1.2
185.13354	1.1
189.09096	12.0
189.11201	6.1
191.10631	2.9
193.12227	20.8
197.11668	2.4
201.12816	1.4
205.12430	0.9
207.10149	3.7
211.13228	1.2
221.11615	1.4
225.11142	11.9
225.16324	1.4
227.12772	7.1
243.12263	2.5
243.17567	2.3
261.18564	3.3
271.14230	1.1
271.16843	7.5
273.18478	2.4
281.13846	5.9
283.15320	9.9
289.17920	26.0
290.18277	1.6
291.19495	5.8
299.14850	100.0
300.15149	4.0
301.12653	1.0
307.18948	9.2
363.21613	12.0
365.23218	2.2
381.22650	84.8
382.22906	3.3
383.23981	1.2
395.20432	2.3
399.38269	1.0
407.32858	1.3
425.33975	2.8
469.24213	1.7
474.05362	1.2
491.26407	2.0
500.38098	1.3
573.34180	3.2
587.31995	14.9
591.35095	1.6
605.33087	91.9
606.33643	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	802.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	7.7
57.07051	1.6
65.03927	2.8
67.05494	37.4
69.03430	5.8
69.07066	10.1
69.46439	1.5
71.04986	2.3
71.19991	1.9
75.93053	1.3
76.19949	1.4
79.05477	48.9
81.03407	39.7
81.03886	1.8
81.07042	54.8
83.04957	9.8
83.08609	13.6
83.35251	1.6
85.02935	1.9
85.06551	2.0
86.09710	4.8
90.67055	1.5
91.05460	37.3
93.07027	37.0
95.04955	28.8
95.08588	14.0
97.02888	3.1
97.06516	4.9
97.10155	9.8
99.08092	1.5
105.03393	3.6
105.04530	2.2
105.07011	27.8
107.04938	16.3
107.08562	15.2
107.09129	1.6
109.02865	5.9
109.06493	22.2
109.10126	8.0
111.04427	4.1
111.08075	4.3
115.05443	2.1
117.06996	9.6
119.04903	2.4
119.08562	21.3
121.06506	4.3
121.10157	7.6
123.04442	2.8
123.08060	6.1
125.09587	8.6
128.06184	2.2
129.05507	2.1
129.06999	9.2
131.08545	12.0
133.06474	3.4
133.10078	15.4
135.08040	13.3
135.11697	4.6
137.09587	6.1
143.08548	7.1
145.06476	4.2
145.10078	7.9
147.08051	7.1
147.11647	11.5
149.09596	5.8
151.11169	2.4
153.09111	2.6
155.08580	1.6
157.10104	7.0
159.08041	4.1
159.11658	4.0
161.09639	9.4
161.13286	3.0
163.07500	3.8
163.11139	5.6
165.09108	2.5
165.12733	2.1
171.10326	1.7
171.11641	7.7
173.09612	4.0
173.11699	2.4
175.11195	3.8
177.09050	1.8
179.10669	6.5
185.12936	1.8
187.11206	2.0
189.09163	3.2
189.11185	3.1
189.12732	4.2
193.12254	13.1
197.09442	1.6
207.13824	5.6
213.12640	1.8
227.12788	4.5
243.17349	4.6
261.18549	6.1
267.15845	30.2
271.16925	7.9
273.18472	3.8
281.17413	16.3
282.17755	1.8
289.17926	16.0
291.19553	2.3
307.18994	1.9
311.19904	2.9
316.28336	2.8
347.22275	3.5
363.21786	11.5
381.22754	1.6
399.23776	3.5
407.24756	1.6
422.30365	1.7
435.27426	5.4
463.28195	4.5
475.30600	3.7
481.29865	2.5
499.30417	5.1
520.29907	1.9
537.32031	4.2
553.35071	2.8
555.33075	100.0
556.33356	6.7
571.36108	6.8
573.34320	9.6
587.35211	3.0
605.36694	12.5
606.38019	1.9
791.48669	1.6
802.32129	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	803.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.6
60.50148	0.7
67.05495	1.7
69.03416	3.5
69.07068	1.4
71.05005	1.1
72.11259	0.8
77.69647	0.8
79.05481	1.7
80.05009	0.9
80.26111	0.8
80.76510	0.7
81.03391	1.8
81.07053	0.9
83.72478	0.8
85.02890	3.6
91.05461	2.0
92.40358	0.9
93.07026	2.3
94.06561	5.6
95.04964	2.4
95.07346	1.5
95.08615	0.9
96.08137	4.3
97.02890	1.8
97.06519	0.9
105.03373	1.8
105.07040	0.8
108.08102	6.7
110.09665	7.6
120.04375	0.8
120.08093	6.9
122.06015	8.5
123.06841	0.8
131.08546	1.0
134.06023	0.8
136.07564	8.1
138.09126	11.5
146.05994	1.0
148.07568	3.5
150.09106	1.2
166.08621	11.3
175.15517	0.9
198.07947	0.8
205.04718	2.6
211.08652	2.3
221.10684	1.9
225.10147	1.1
247.08626	2.5
248.09253	1.1
249.10211	15.7
250.10918	1.0
251.11885	1.9
261.10236	2.3
263.12006	1.2
265.09653	1.3
275.08212	1.3
277.09656	10.5
291.11273	1.1
293.09164	1.3
297.12500	0.8
309.12271	6.9
312.11136	1.4
321.08630	1.7
322.13376	1.1
323.14160	0.9
325.12656	1.2
326.12906	1.7
327.13962	1.7
328.14511	1.5
336.14877	1.9
337.15839	1.2
338.12781	1.5
338.16541	2.0
339.13934	1.5
340.10779	1.9
340.14438	3.8
341.11566	1.2
341.15323	1.7
342.12259	2.1
342.16025	2.6
343.12915	1.1
350.12912	1.8
351.48584	0.9
352.14502	1.9
353.11511	1.2
354.12338	7.9
354.16144	1.4
355.13007	3.9
356.14029	5.2
356.17703	1.4
357.14441	1.6
364.14471	4.4
365.15082	1.6
366.12024	1.0
366.16003	3.1
367.13245	4.3
368.10031	1.2
368.13940	11.8
369.14575	6.2
370.15521	3.2
380.13748	2.4
382.11121	4.3
382.15842	7.3
383.12283	1.8
383.16507	1.8
384.12875	1.4
384.17087	10.0
392.13766	3.0
394.15475	2.2
395.12601	1.8
396.13318	7.3
397.14139	2.9
398.18738	13.3
400.16901	1.7
402.14133	0.9
408.13446	1.3
410.14841	6.5
411.15619	1.1
412.16635	8.1
413.13269	1.1
414.14297	2.8
415.15152	2.4
416.15915	1.2
420.13263	1.8
426.13641	4.9
426.19055	1.3
427.14978	1.0
428.16141	8.0
429.16714	2.1
438.08359	1.1
438.14465	29.2
439.14822	2.3
442.17416	3.5
444.19894	6.2
456.15509	43.3
457.15723	1.7
458.16998	7.8
470.17233	1.8
476.18094	35.2
477.18561	1.5
488.18192	18.0
489.18677	1.2
591.22485	6.2
595.25098	2.6
609.23389	24.7
610.23248	1.6
613.26392	2.5
623.24841	24.6
624.24512	1.1
641.25989	100.0
642.26270	6.2
785.29608	0.8
803.29773	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	804.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
63.66774	0.4
69.03423	28.3
70.01217	0.4
70.06584	78.3
70.84229	0.4
71.04959	0.4
72.08807	0.4
73.02908	8.3
73.69884	0.5
80.74310	0.4
81.03409	1.2
81.07058	0.8
83.08591	0.5
85.02895	8.8
87.04444	0.6
95.04975	0.6
95.08582	0.7
97.02883	100.0
98.03190	1.0
105.03379	1.3
107.08553	0.6
109.02871	4.1
109.10126	0.4
112.07591	77.2
113.07950	0.8
115.03918	54.3
116.07076	1.3
121.02870	1.5
127.03902	2.3
139.03897	3.1
140.07048	64.5
141.07420	1.0
157.04947	89.9
158.05247	1.7
158.08105	10.3
167.06943	0.6
177.05452	0.8
204.06508	1.0
205.31654	0.4
217.07014	4.5
230.10222	1.1
242.10120	0.8
266.10168	3.0
279.10214	0.4
284.11246	12.2
285.11993	0.6
287.02316	0.7
287.05447	10.8
288.05710	0.5
294.12357	0.5
295.12732	1.0
302.12387	2.0
316.10117	0.5
325.14197	0.6
326.14844	0.8
329.06418	3.0
342.44287	0.5
377.06592	0.7
395.07690	0.8
403.03381	0.5
417.15271	0.5
588.16803	1.1
804.33679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.2
57.03425	0.1
58.02954	0.1
58.06568	0.3
65.00294	0.1
65.03922	0.3
67.05488	0.7
68.04999	0.1
69.03414	0.2
69.07065	0.3
69.69695	0.3
70.06577	0.3
71.04967	0.1
72.04512	0.4
74.06055	0.3
76.93111	0.1
77.03908	3.4
79.05482	1.3
80.05004	0.1
81.03408	0.6
81.07037	1.0
82.06577	0.4
83.04949	0.2
83.08612	0.1
84.04473	0.2
84.08141	0.2
85.02884	0.1
86.06045	0.3
89.03900	0.1
91.04913	0.2
91.05460	1.9
93.05781	0.1
93.07029	0.9
94.06539	0.8
95.04949	24.8
95.08577	0.3
96.04475	0.3
96.05284	0.2
96.08102	0.6
97.02869	0.1
97.06521	0.2
97.10152	0.1
98.06007	0.2
100.32972	0.1
103.05408	0.2
105.03374	100.0
105.04398	8.6
105.06985	2.3
106.03686	1.5
106.04258	0.1
106.04814	0.1
107.04968	0.4
107.07349	0.1
107.08552	0.4
108.08102	0.9
109.06482	0.4
109.10143	0.2
110.06014	1.3
111.04424	0.1
112.07565	0.4
113.06053	0.1
115.05426	0.6
116.06206	0.1
117.05743	0.2
117.07003	1.1
118.06515	0.5
119.04923	1.4
119.08550	0.7
120.08092	0.7
121.06474	0.6
121.10128	0.2
122.06004	0.6
122.09692	0.2
123.04443	0.1
123.06817	0.2
124.07568	2.2
125.09601	0.1
128.06152	0.6
129.06979	1.4
130.06497	0.2
130.07848	0.1
131.04910	0.4
131.07310	0.6
131.08543	0.9
132.08058	0.7
133.05566	0.1
133.06462	0.7
133.08839	0.1
133.10088	0.3
134.06000	0.2
134.09660	0.4
135.08028	0.3
135.11725	0.1
136.07545	0.6
137.05959	0.1
137.09665	0.1
138.05490	0.7
138.09122	0.1
141.06921	0.5
142.07832	0.1
143.04907	0.1
143.07388	0.2
143.08524	1.2
144.05646	0.2
144.08058	1.3
144.09149	0.1
145.06453	1.7
145.08827	0.5
145.10103	0.5
146.05983	0.2
146.09612	1.5
147.06787	0.4
147.08032	0.8
148.07553	1.5
148.11211	0.1
149.09619	0.1
150.09138	0.3
152.06139	0.1
153.06984	0.3
154.07762	0.1
155.06067	0.1
155.08504	1.2
156.08055	0.1
157.06598	0.2
157.08844	2.8
157.10094	0.2
158.07249	0.2
158.09627	1.0
159.06895	0.1
159.08051	0.5
160.07539	4.0
160.11186	0.3
161.06020	0.2
161.08354	0.6
161.09560	0.1
161.11890	0.1
162.05507	0.2
162.09105	1.0
162.12793	0.1
163.07481	0.2
163.11165	0.4
164.07069	0.1
164.10689	0.1
165.06943	0.7
166.07625	0.2
166.08731	0.2
167.08545	0.9
168.08026	0.1
168.09311	0.1
169.06461	0.2
169.08861	0.1
169.10184	0.4
170.09665	0.3
171.08031	0.5
171.10397	0.2
171.11720	0.1
172.07545	0.9
172.11172	0.4
173.06078	0.1
173.08333	2.2
173.09746	0.2
174.09109	2.9
175.07529	0.9
175.09836	0.4
176.07040	0.2
176.10663	0.2
178.07657	1.1
179.08521	1.6
180.09319	0.5
181.06453	0.2
181.08768	0.2
181.10133	0.7
182.09581	0.5
183.08066	0.2
183.10358	0.1
183.11795	0.2
184.07614	0.3
184.11209	0.3
185.05879	0.1
185.08342	0.3
186.09018	0.4
187.09920	0.1
188.07079	0.2
188.10606	0.6
189.07054	0.2
190.07759	0.4
190.12300	0.3
191.08528	1.0
192.09241	2.1
193.10095	2.0
193.11928	0.1
194.07275	0.1
194.10872	0.3
195.08069	0.5
195.10104	0.2
195.11795	0.5
196.09219	0.1
196.11092	0.4
197.08325	0.3
197.09682	0.3
198.09088	0.9
198.12814	0.1
199.07513	0.1
199.09837	0.3
200.10663	0.6
202.07588	0.7
202.12277	0.1
203.08521	1.7
204.09270	2.4
205.10118	1.8
206.10866	1.1
207.08032	0.3
207.11731	1.5
208.09094	0.1
208.11241	0.3
209.09653	0.3
209.13441	0.5
210.09157	0.3
210.12675	0.2
211.09731	0.6
211.13380	0.1
212.10701	0.8
212.14352	0.3
214.08792	0.2
215.08524	1.3
216.09254	2.1
217.10072	1.3
218.07466	0.1
218.10971	1.0
219.08371	0.5
219.11671	3.1
220.08894	0.4
220.11267	0.3
221.09818	0.7
221.13309	1.1
222.09016	0.2
222.12766	0.2
223.11418	0.4
223.14795	0.1
224.10631	0.4
225.09105	0.2
225.11090	0.1
226.07982	0.1
226.12212	0.1
227.12804	0.3
228.10205	0.7
229.10095	0.7
229.14308	0.1
230.11012	0.3
231.08025	0.3
231.11714	2.7
232.08835	0.5
232.11261	0.8
233.09726	0.8
233.13454	0.5
234.10535	0.5
234.12881	0.3
235.11296	1.0
235.13455	0.1
236.10738	0.3
236.14391	0.4
237.12750	0.4
237.14882	0.1
238.12234	0.4
239.07013	0.2
239.09184	0.1
240.10170	0.3
240.13780	0.1
241.10239	0.1
243.08107	0.2
243.11789	0.2
244.08829	0.4
244.11089	0.1
245.09566	0.4
245.11945	0.2
246.10330	0.1
246.12685	1.4
247.07529	0.1
247.11176	1.3
247.13608	0.8
248.10826	0.4
248.14232	0.4
249.12868	1.0
250.12183	0.5
250.15993	0.2
251.10683	0.2
252.10214	0.1
252.13805	0.1
252.17490	0.1
254.11897	0.1
256.11255	0.4
257.11932	0.6
258.12811	0.2
259.11157	1.3
259.13354	0.1
260.10590	0.8
260.14267	0.9
261.11887	0.3
261.15045	0.4
262.12354	0.5
262.15933	2.0
263.10449	0.1
263.13101	0.2
263.16336	0.1
264.10339	0.2
264.13834	0.7
265.12115	0.3
265.14633	0.2
266.11838	0.4
266.15329	0.1
268.13501	0.1
271.13409	0.2
272.11340	0.2
272.14270	1.5
273.11697	0.1
274.12238	1.8
275.10403	0.1
275.13022	1.0
276.11200	0.1
276.13892	0.6
277.12167	0.4
277.14786	0.1
278.11798	0.8
278.15417	0.9
279.16165	0.2
280.13776	0.1
280.17020	0.7
283.15323	0.7
285.11493	0.2
286.12329	0.1
287.10449	0.1
288.10559	0.2
288.13763	1.9
289.14584	0.8
289.17929	0.2
290.15326	6.3
291.15775	0.3
292.13336	0.6
292.16507	0.1
293.14139	0.1
294.11182	0.7
294.14355	0.1
296.12799	0.4
300.13785	0.6
302.11755	0.2
302.15390	0.1
303.12665	0.2
304.13312	0.1
305.11673	0.2
306.14832	1.3
307.15558	0.3
308.16339	2.2
308.19693	0.1
309.16879	0.1
316.13300	0.2
318.14835	2.0
319.15533	0.2
320.13031	0.1
326.17682	0.2
332.16486	0.2
334.14175	0.2
336.15881	1.6
348.16037	0.3
349.16693	0.2
350.17404	0.6
354.17041	0.5
360.15985	0.3
378.17093	0.5
381.22565	0.1
394.17657	0.1
396.18112	0.4
399.23685	0.1
410.17590	0.2
412.18890	0.6
424.41528	0.1
430.20157	0.3
440.18607	0.3
458.19580	0.7
470.19696	0.2
472.21057	0.6
476.20801	0.1
477.28650	0.1
482.19647	0.2
500.20578	0.9
518.21704	0.9
560.22833	0.2
571.32831	0.2
580.23474	0.3
589.34076	0.3
607.34766	0.3
622.24347	0.8
640.25995	0.1
682.26105	1.7
683.26788	0.2
744.27802	0.2
804.29926	53.3
805.30261	5.5
817.93585	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	804.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.4
57.07072	1.0
57.10222	1.0
66.60676	0.9
66.93272	0.8
67.05507	7.2
69.03424	1.8
69.07061	6.1
70.17313	2.2
71.04997	1.4
73.02882	0.8
77.03917	3.4
79.05488	6.5
81.03407	4.6
81.07053	9.1
83.04955	1.0
83.08594	4.2
83.16277	0.9
85.02901	5.8
91.05464	6.9
93.07029	6.8
95.04955	23.0
95.05523	1.7
95.08600	4.0
97.02886	2.5
97.06540	2.1
97.10127	1.5
99.00788	1.1
105.03381	100.0
105.04408	8.9
105.07023	6.6
107.04925	1.9
107.08595	5.1
107.78848	0.8
108.35831	0.9
109.02857	1.4
109.06513	2.5
109.10128	2.4
111.04462	1.2
111.08098	1.2
113.06367	0.8
117.07038	2.4
119.08561	4.3
121.06458	1.2
121.10159	2.4
123.08064	1.1
125.09583	1.1
127.03918	2.5
129.06976	1.0
131.08568	3.0
133.06482	1.5
133.10143	4.1
135.08012	1.2
135.11719	2.8
139.14861	1.1
143.08496	2.1
144.08058	1.5
145.04926	2.5
145.10124	4.4
147.08070	1.5
147.11674	1.7
149.09637	1.6
155.08514	1.2
157.08876	3.4
157.10117	1.6
159.11685	2.3
161.09653	2.1
163.06013	1.9
163.11209	3.3
171.11716	1.1
173.09726	1.3
173.13242	1.1
176.69972	0.8
179.08499	1.1
179.10754	1.1
183.11649	1.4
191.10721	1.1
193.12297	1.3
216.09387	2.0
223.04199	0.9
225.11195	1.0
231.11708	1.3
253.19522	1.3
259.11328	1.1
262.16028	1.0
271.20648	1.2
272.14258	1.7
273.18567	2.8
278.35608	1.0
283.15408	4.2
285.16946	1.4
288.13843	1.1
289.18005	1.2
290.15363	3.1
299.14853	3.9
318.14865	1.8
365.23383	1.9
381.22684	2.0
383.23810	1.3
391.33630	2.5
409.34567	9.6
427.35754	5.7
437.25189	1.1
509.27478	1.0
571.33002	1.5
589.33447	4.4
607.34772	3.1
682.26196	2.7
804.29877	47.5
805.29913	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	804.306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06580	1.0
59.28676	0.5
66.41547	0.5
67.05507	0.8
70.06577	1.1
71.04958	0.6
74.06060	0.8
75.04472	4.5
77.03923	3.4
79.05469	1.4
80.25833	0.6
81.03366	0.8
82.06574	0.7
85.02892	1.2
87.04436	0.7
88.07611	1.6
91.05480	2.4
94.06549	2.0
94.56705	0.6
95.04954	16.6
95.05525	1.2
97.06522	0.8
98.23528	1.3
101.06011	0.7
103.05466	1.6
105.03378	100.0
105.04398	6.8
105.06980	2.9
106.03719	1.5
107.04926	0.7
107.07333	1.1
108.08097	6.5
109.02921	0.6
109.06496	1.3
111.04417	0.8
111.08035	1.1
112.07601	0.6
115.05437	2.1
117.05772	0.7
117.07006	1.6
118.06548	0.8
119.04913	1.1
120.08112	1.6
121.06486	1.2
121.08869	0.5
123.04419	0.7
124.07587	1.1
128.06195	2.3
129.06978	4.3
131.04953	1.4
131.07292	1.4
131.08569	0.8
132.08080	2.8
133.02829	1.0
133.06479	1.5
134.09653	0.7
135.08086	1.6
136.07605	1.2
137.05949	1.1
138.09113	3.9
140.10658	1.1
141.06955	2.2
143.08597	0.9
144.08064	2.4
145.06470	2.0
145.08919	0.7
146.05998	1.1
146.09613	3.3
147.04410	1.4
147.08064	0.8
148.07631	1.5
149.05923	1.8
150.09146	0.8
155.06096	0.7
155.08516	0.8
157.06496	1.1
158.09662	1.8
159.08070	2.0
160.07547	6.6
161.05919	0.8
162.09125	0.8
165.07011	2.6
166.85239	0.6
167.07043	1.3
167.08655	1.0
169.06442	1.1
170.09636	1.7
171.07953	1.5
173.09579	0.8
174.05594	0.7
176.07167	0.8
176.10770	1.5
177.05469	1.7
177.09207	0.6
177.26375	0.8
178.07701	3.1
179.08521	4.2
181.04915	1.1
181.10191	0.7
182.09535	0.9
185.05898	0.7
186.09143	1.4
187.07545	0.7
188.07018	1.2
188.10576	1.1
189.06979	1.3
190.07745	1.2
191.08554	2.1
193.10178	1.6
195.08038	1.3
197.20155	0.6
202.07837	1.7
203.08502	3.2
204.06392	0.6
204.09419	0.6
205.06519	1.2
205.08551	0.6
205.10107	3.6
207.08022	4.2
208.08890	1.0
209.09677	1.8
214.08733	0.8
217.10248	0.7
218.07286	1.1
219.08040	2.7
220.08803	0.8
221.09616	3.4
223.07457	1.0
231.08023	1.7
233.09628	1.7
234.06699	0.7
235.07552	4.0
235.11197	1.4
236.10612	1.3
237.09120	1.9
239.10687	0.9
247.07558	0.6
248.10638	0.9
249.09122	3.1
249.11304	0.6
250.12222	1.3
251.10786	0.9
252.07820	1.1
252.10248	0.8
253.08763	0.9
261.09116	1.0
262.12277	1.1
263.10449	2.8
267.10144	3.5
274.12180	0.8
276.07697	0.8
276.10315	0.7
277.08591	1.5
278.11862	1.4
279.10086	1.1
281.11786	0.9
287.05478	0.9
291.10083	0.8
292.13263	1.2
308.12802	1.0
310.14560	0.7
324.15866	1.0
342.16858	1.0
352.15683	1.7
356.18719	2.2
381.12537	0.6
384.17984	0.9
388.21149	1.3
412.17603	2.7
416.20767	1.3
474.19342	1.0
478.22321	1.8
480.19772	0.8
494.22510	0.7
506.21561	3.0
510.24747	1.2
512.22986	1.0
538.24036	3.6
570.26935	3.4
598.26666	1.2
630.28931	24.2
631.29395	2.1
712.25574	2.3
744.28119	1.0
804.30548	87.0
805.30695	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	804.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.9
59.04996	3.3
61.02922	3.9
65.03931	2.8
67.05498	21.6
67.05856	1.2
69.03421	3.3
69.07059	8.4
71.04982	5.4
77.03883	1.0
77.69623	0.7
79.05482	34.6
81.03407	13.2
81.07044	32.0
83.01330	8.1
83.04967	11.1
83.08611	13.1
85.02905	6.7
85.06549	1.4
86.09673	0.9
91.03964	2.1
91.05467	26.5
93.07034	35.3
95.04953	17.3
95.08598	15.2
97.02872	5.1
97.06535	4.6
97.10158	5.4
99.04452	2.9
103.05448	2.2
105.03368	2.2
105.04520	2.5
105.07011	16.8
106.07378	1.3
107.04943	12.2
107.08580	24.1
109.02862	3.6
109.06506	9.4
109.10130	7.2
111.04430	2.9
111.08077	2.6
115.05442	2.7
117.01032	1.8
117.07014	16.8
119.06001	1.0
119.08567	17.0
121.06485	6.9
121.10119	9.4
123.04428	2.0
123.08054	11.4
125.05930	1.0
125.09621	4.1
127.03886	1.0
128.06189	1.1
129.01001	2.2
129.06973	4.5
130.07761	2.4
131.08540	8.3
133.10124	6.3
135.08035	16.3
135.11681	9.9
137.09570	4.2
141.01035	1.1
141.06935	1.1
143.08505	4.0
145.06493	4.3
145.10106	16.6
147.08037	4.0
147.11681	1.9
149.05957	1.0
149.09605	3.5
151.11209	1.1
153.04713	0.9
153.09114	1.9
153.12787	1.9
155.08542	2.5
157.10117	2.6
159.08043	2.5
159.11707	2.1
159.61363	0.9
161.09636	3.5
163.07481	4.6
163.11163	22.4
169.10089	1.1
171.05688	4.5
171.11583	0.9
173.09587	2.7
173.13275	1.2
175.11142	0.9
181.12238	2.5
183.11658	1.6
189.06718	0.9
189.09201	1.3
189.11194	0.8
189.12807	1.1
191.10614	2.7
193.12209	1.7
199.05165	1.9
209.11710	6.3
211.12811	0.8
215.18022	1.0
221.11626	0.9
227.12755	3.3
229.14262	1.5
232.27484	0.8
243.17331	1.6
267.15976	1.9
271.16870	2.7
273.18530	1.1
275.20056	1.1
279.15024	2.1
283.15359	100.0
284.15701	2.3
289.17889	7.8
291.19620	1.4
325.15662	1.2
332.07193	0.8
365.23251	1.4
399.19260	75.8
400.19678	2.5
557.34418	1.7
607.30200	67.8
608.30548	5.4
804.29449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	10.0
57.07065	1.3
59.04990	3.2
61.02909	1.9
65.03928	2.7
67.05495	37.6
69.03411	4.6
69.07057	16.8
71.01357	1.8
71.04977	3.4
71.44507	1.1
73.02910	1.1
75.55740	0.9
77.03913	1.8
79.05032	2.1
79.05482	40.1
81.03402	13.1
81.07046	80.3
83.04975	13.2
83.08611	21.7
85.02900	5.0
85.06535	3.9
86.93037	1.0
91.05466	38.4
93.07031	33.3
95.04955	20.8
95.08597	18.1
97.02889	6.7
97.06522	8.8
97.10152	24.0
99.00800	17.2
99.01405	1.4
99.04446	3.1
99.08099	3.2
99.67335	1.2
103.05488	3.1
104.85690	1.2
105.03381	4.0
105.04522	2.3
105.07014	29.1
107.04938	15.5
107.08575	24.5
109.02861	8.0
109.06507	11.1
109.10143	12.2
111.04441	13.9
111.08058	8.4
113.06012	1.7
115.03883	2.6
115.05403	1.4
117.07005	12.1
119.04906	1.2
119.08565	25.8
121.06503	12.8
121.10130	11.6
121.88195	0.9
123.04433	3.4
123.08046	21.3
123.11685	4.3
125.05981	1.4
125.09621	19.1
127.03900	2.8
128.06226	3.3
129.06979	5.7
131.08536	11.1
133.06476	4.3
133.10106	38.9
134.10448	1.1
135.08037	7.1
135.11658	10.6
137.05907	1.1
137.09554	5.3
139.07535	5.0
139.11145	1.3
142.07784	1.4
143.08539	8.5
145.06480	3.6
145.10098	12.6
147.08043	8.7
147.11671	4.7
149.09595	7.7
151.11154	12.9
153.09084	4.4
153.12741	5.8
155.08534	1.6
157.10109	4.7
159.07991	2.2
159.11679	4.7
161.09598	26.5
161.13258	2.6
163.11169	15.5
165.09071	5.2
167.10651	1.1
169.10101	2.0
171.08026	4.5
171.10202	2.3
171.11615	2.7
173.09578	5.0
175.11166	3.8
177.12732	2.6
179.10622	7.9
181.12210	5.6
185.13249	2.2
187.11217	1.8
189.09113	7.5
189.11198	16.6
189.12744	2.6
191.10612	5.0
193.12172	3.6
195.11699	1.6
197.11708	2.1
199.14789	1.3
207.10107	2.7
213.12683	1.3
213.16234	1.1
223.13286	4.6
225.11205	12.3
227.12738	19.5
227.17810	2.7
237.16512	1.3
243.12277	2.4
245.18987	3.1
249.14848	1.4
255.17433	3.7
263.19995	1.8
273.18457	34.6
273.21765	1.9
274.18890	1.0
281.13779	4.1
283.15338	4.7
291.19495	76.8
292.19864	2.6
299.14850	100.0
300.15244	2.0
309.20560	11.9
342.98816	1.1
347.22147	9.7
365.23184	37.3
366.23581	1.7
383.24216	22.2
416.04239	1.2
469.24084	3.2
525.26990	2.5
543.33026	1.3
561.34076	2.0
564.24371	1.4
571.32489	9.4
589.33661	58.7
590.33643	3.2
607.34680	39.1
608.34991	3.5
804.31390	4.2
805.32605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.9
57.07066	2.2
57.78346	1.5
61.02908	1.9
65.03935	3.8
67.05495	39.1
68.05811	2.1
69.03429	10.8
69.07060	23.4
71.04967	4.6
79.05483	36.4
81.03406	60.6
81.07044	32.6
83.04970	14.8
83.08612	19.2
85.02861	1.8
91.05469	30.9
91.05984	2.9
93.07031	31.8
95.04951	29.6
95.08595	15.9
95.81311	1.5
97.02867	12.9
97.06512	5.2
97.10159	12.9
97.12720	1.5
103.05476	3.3
105.03382	24.3
105.04513	4.1
105.07017	29.6
107.04935	15.5
107.08586	19.0
109.06509	10.0
109.10138	12.8
111.04411	4.1
111.08066	5.4
115.05463	2.3
117.07005	8.9
119.04902	3.2
119.08555	22.2
121.06490	7.7
121.10129	11.6
123.04441	2.5
123.08060	5.1
123.11665	3.6
125.09606	8.8
129.06990	10.2
131.08571	16.1
133.06483	5.2
133.10101	14.6
135.08038	7.0
135.11678	6.2
137.09610	3.3
142.07713	3.5
143.08536	4.1
145.06392	2.0
145.10100	9.3
147.08054	5.6
147.11633	9.1
149.02332	6.5
149.09598	6.3
149.13292	2.2
151.11130	2.5
151.85471	1.6
155.08496	2.8
157.10135	10.9
157.60387	1.8
159.08086	2.2
159.11639	5.2
161.09578	2.6
163.11179	6.5
165.08990	2.1
165.12794	1.9
169.10167	2.1
171.11670	2.0
173.09563	3.2
175.11128	11.8
177.12781	2.2
181.12161	2.0
183.11711	1.6
187.07646	1.8
189.11205	4.6
191.10645	1.8
193.04962	5.9
193.12212	14.5
195.11629	2.3
219.13791	4.3
223.13205	15.8
227.12865	8.0
237.07422	1.8
241.14316	2.4
249.14935	4.8
253.14279	4.3
265.14331	2.7
267.15869	63.2
267.18713	3.4
268.16321	1.8
273.18323	7.6
275.20007	9.1
283.12595	2.2
283.15421	7.0
286.98029	1.6
291.19489	60.8
301.16348	3.4
313.21658	3.3
315.18170	3.1
339.32855	1.9
347.22131	2.5
349.23636	7.1
365.23239	36.3
367.24686	3.0
385.23776	1.8
445.25967	3.9
459.27322	5.7
465.30161	1.9
477.28427	2.1
539.33722	8.2
553.31354	2.2
557.34674	100.0
558.35022	4.6
575.35181	5.9
589.37292	3.7
607.37823	5.7
791.21240	1.7
804.29803	13.1
834.83203	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49884	0.8
57.03437	0.9
65.03928	4.1
66.34056	0.8
67.05500	1.4
69.03416	4.5
77.03924	0.8
78.04703	3.8
78.26638	0.8
79.05474	2.5
81.03416	1.9
82.04192	2.8
83.04973	1.4
83.79048	0.8
85.02887	6.5
91.05473	6.3
93.03432	2.0
93.07027	1.1
95.04956	4.4
97.02886	2.8
97.06532	1.6
103.05455	2.8
105.03396	1.0
105.04554	1.1
106.04168	3.1
107.04916	4.6
107.81522	0.7
108.02022	1.0
109.02866	1.7
110.03651	2.5
111.04417	1.8
115.05428	6.4
117.06996	8.8
119.04940	1.6
121.06491	2.1
122.03640	1.1
123.00806	1.0
123.04413	11.3
124.05212	2.2
125.05992	1.9
127.03872	1.2
127.05428	1.8
131.04897	3.7
134.03612	1.2
135.04395	0.9
135.68724	1.0
137.05992	2.3
138.03082	1.8
140.04703	1.0
142.02547	1.7
143.04973	1.3
144.05693	1.1
145.02859	1.0
145.06464	15.4
147.04405	1.6
147.08018	1.6
149.05965	3.8
151.03940	1.9
151.07568	1.8
152.04654	2.5
153.05481	4.8
155.06024	6.7
155.07100	1.0
159.04375	1.3
161.05977	2.9
163.03847	1.4
165.05434	1.2
167.07019	100.0
171.06512	5.1
173.05968	21.2
174.06577	0.9
175.07545	2.0
176.04660	1.4
177.05426	6.7
178.06146	0.8
181.04930	78.6
182.05356	1.6
188.04727	1.2
191.07024	2.3
201.05481	3.9
203.07013	6.1
205.08546	6.9
207.06534	1.1
207.10049	1.0
209.08092	3.5
217.08542	1.2
219.06509	2.7
221.07950	1.4
231.06497	2.3
233.08035	8.7
234.08884	2.8
235.09618	7.2
237.09113	1.3
265.08572	1.7
279.10538	0.9
283.09683	1.3
287.05548	1.1
293.08035	1.9
295.06015	1.2
297.11267	1.8
306.70520	1.0
310.08337	1.7
325.10837	1.9
337.10831	1.1
357.13254	10.6
385.12769	30.9
386.13068	2.2
387.14130	4.3
392.10284	0.8
397.12735	3.2
403.13766	3.4
415.14130	4.7
416.14453	3.9
417.15378	8.9
477.46960	0.9
577.19659	1.5
595.20734	0.9
643.23755	34.6
644.23529	2.4
805.28754	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	805.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53644	0.8
61.12349	0.7
65.03920	5.2
66.08871	0.7
67.05495	2.4
69.03413	5.1
71.04977	0.8
72.63186	0.8
78.04699	3.6
78.48732	0.7
79.05495	1.8
81.03406	3.1
81.07018	1.0
82.04184	1.3
83.04975	1.3
84.29742	0.9
85.02896	7.9
88.32736	0.8
91.04009	0.8
91.05461	5.2
93.03387	1.5
93.07006	1.6
95.04967	3.6
97.02878	2.8
97.06518	1.5
99.04440	0.9
103.05449	2.9
105.04538	1.1
105.07016	1.7
106.04173	2.7
107.04955	6.6
109.02841	1.5
110.03627	2.8
111.04436	2.2
115.05437	7.5
117.03376	1.2
117.06998	10.6
119.04957	1.6
119.08590	1.1
121.06461	2.3
122.03648	1.5
123.04417	9.6
124.05189	2.7
125.05978	2.9
127.03899	1.9
127.05460	1.7
129.07010	0.8
131.04880	3.9
132.05734	1.6
132.32202	0.8
134.03658	1.3
134.38261	0.9
135.04398	1.2
137.05956	4.4
138.03116	1.4
140.04709	0.8
142.02502	0.8
143.04901	1.8
143.08678	0.8
144.05679	1.1
145.02827	1.6
145.06458	15.3
147.04413	1.3
147.08015	2.0
148.05060	0.9
149.05940	5.2
151.03871	1.7
151.07500	1.1
152.04681	3.0
153.05452	3.7
155.06000	6.0
155.07063	1.1
160.05113	1.0
161.05910	1.8
163.03912	2.4
165.05461	1.9
167.07014	100.0
168.07375	2.0
171.04427	0.9
171.06514	6.6
173.05960	20.7
175.07506	1.9
176.04639	0.9
177.05449	7.4
181.04930	83.9
182.05295	1.1
191.06992	5.0
193.08539	1.3
195.06512	2.7
201.05431	3.0
203.06996	5.3
204.06384	0.9
205.08607	6.1
207.08180	1.1
209.08009	4.5
219.06487	3.3
221.05975	0.9
221.08015	1.3
233.05923	1.4
233.08066	10.7
234.06708	1.0
234.08739	4.0
235.09599	6.1
237.09096	1.1
250.06310	1.2
265.08557	2.4
283.09601	1.2
287.05481	1.1
292.07327	1.0
293.08014	1.1
297.11157	2.1
310.08319	2.7
311.08725	1.1
325.10818	1.9
326.11612	1.0
337.11008	0.9
353.10022	1.1
355.11859	1.4
357.13275	8.9
365.09909	1.2
367.11655	1.2
370.10321	1.0
385.12753	38.4
386.13293	3.4
387.14310	4.9
397.12839	6.1
403.13831	3.5
415.13809	7.4
416.14511	5.1
417.15320	11.0
551.48010	0.9
577.19128	1.5
595.20807	1.1
611.24872	0.9
643.23737	51.7
644.24017	3.4
805.28625	9.6
806.28900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.6
57.03731	0.4
65.03922	0.9
67.05489	0.6
69.03420	2.2
70.73302	0.8
79.05469	1.3
81.03404	1.1
82.06574	1.0
85.02888	2.8
92.04955	0.8
93.05788	0.9
93.07028	2.6
93.96537	0.5
94.06547	5.1
95.04943	0.8
95.07348	2.1
95.08509	0.6
96.08115	5.2
97.02888	2.4
106.06538	1.6
107.07311	0.6
108.04476	2.5
108.08099	8.3
109.02879	0.7
110.06037	0.6
110.09655	7.4
114.12573	0.5
116.04959	2.2
118.06508	0.5
120.04433	3.5
120.08084	7.3
122.06016	5.8
122.09636	1.0
124.07569	6.3
127.03900	0.8
130.70511	0.5
134.05977	2.7
136.07550	9.9
138.05545	0.5
138.09126	9.0
138.10144	0.8
144.04439	4.7
146.05981	5.8
148.07549	3.7
150.09148	1.7
152.07040	2.6
158.06018	0.9
159.00774	0.4
159.09236	0.6
160.03896	3.8
160.07602	0.7
162.05455	4.1
164.07039	1.6
166.08617	15.4
172.03900	28.0
174.05437	2.7
176.07042	3.5
182.08311	0.8
182.09718	1.0
183.09131	0.7
184.09818	0.6
186.05566	0.5
186.09203	0.7
190.04955	16.3
190.06612	0.9
191.05344	0.7
195.09114	0.6
196.09891	1.0
197.10767	2.0
199.08667	0.9
199.12306	1.2
204.06526	45.5
205.06862	1.2
208.09875	0.6
209.10606	1.3
210.09184	1.6
210.11308	0.6
211.08574	2.7
211.12244	1.1
212.09412	1.5
213.10211	1.4
222.07825	0.6
223.08621	1.2
223.12227	0.6
224.09433	1.8
225.10176	10.0
225.12209	0.8
226.10892	1.5
227.11734	13.5
228.12144	0.8
229.13310	0.6
236.09492	1.5
237.10219	3.8
238.11020	1.8
239.11751	4.3
241.09750	1.6
241.13422	1.3
243.11337	0.7
249.10231	2.6
250.10957	1.2
251.08025	1.0
251.09552	0.5
251.11760	3.5
252.08755	0.7
253.09645	5.7
253.12195	0.5
253.13330	0.5
255.11327	1.5
257.12714	0.6
261.10294	0.5
262.10870	0.6
263.08243	1.4
263.11725	0.6
264.08893	4.0
265.09598	2.6
266.10559	1.4
267.11179	3.0
268.11899	0.8
269.12799	15.0
269.15662	0.8
270.13217	0.7
271.10684	8.4
273.12250	4.2
277.09613	1.0
278.10526	0.9
279.11261	4.0
280.12222	1.1
281.09363	0.8
281.12762	1.6
283.10672	5.6
284.11407	4.6
285.12283	5.0
286.13190	1.5
287.13855	13.6
287.16837	0.9
294.10056	1.0
295.10745	1.9
296.11588	0.9
297.12323	9.0
299.13919	4.5
300.14783	0.7
301.12265	0.8
302.12790	0.8
307.10858	1.8
309.12143	1.4
310.13101	0.6
311.14084	1.1
312.15097	1.4
313.12885	1.6
314.12909	2.1
315.13672	1.7
316.10910	1.4
316.14450	1.7
317.15140	0.8
323.10172	6.1
323.13635	0.6
324.11328	0.6
325.11761	19.1
325.15598	1.2
326.12582	0.9
326.16653	1.9
327.13510	2.5
327.17053	0.9
328.10748	2.7
328.14542	2.7
329.15067	2.0
330.12540	1.2
330.16046	2.7
331.13177	0.5
331.16772	1.8
339.13763	1.4
340.14740	0.9
341.11887	1.8
342.12405	6.1
342.16107	1.4
343.12976	6.2
344.13815	2.2
344.17615	0.7
352.14493	0.6
354.16071	1.4
355.13269	1.9
355.17136	0.6
356.13794	5.3
357.14377	19.9
358.15207	4.9
365.11276	1.5
366.16089	1.1
367.13446	0.9
368.14038	0.9
370.11646	1.0
370.15573	4.6
371.16211	2.0
372.17307	1.1
378.18039	1.5
380.13904	1.6
382.11646	4.1
383.12515	2.2
384.13342	4.8
384.17505	1.0
385.13910	2.3
386.14188	2.4
386.19180	3.2
387.15497	0.7
388.16626	1.0
390.18048	3.8
394.15530	0.7
397.14520	1.0
398.14911	18.4
399.15692	27.3
400.16193	3.6
402.18329	1.0
404.16003	5.6
412.16486	2.1
413.16092	0.7
414.18182	4.4
416.16000	17.2
417.16586	1.4
422.16513	1.6
428.16058	3.5
430.17630	2.6
431.18570	0.7
440.16016	6.6
441.16650	0.9
446.17010	9.0
447.17709	0.9
458.17032	28.2
459.17276	2.1
478.19479	3.3
487.17041	9.1
490.19641	10.6
491.21027	0.5
519.19641	0.8
565.24414	1.2
567.25720	1.3
569.23938	3.6
583.25543	1.9
593.23920	5.4
611.24884	100.0
612.25171	9.0
643.27509	13.7
644.27673	1.4
731.29437	0.7
745.30908	1.4
755.29132	0.7
773.30109	24.8
774.30719	3.3
805.32764	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.06593	0.8
58.46139	0.8
61.02914	0.9
65.03960	0.8
67.05487	1.5
68.24274	0.7
69.03419	3.2
70.06567	2.5
73.02887	0.7
79.05485	2.3
80.04944	0.7
81.03415	1.1
81.07037	1.2
83.31051	0.7
85.02889	3.0
91.05460	1.6
92.48376	0.8
93.05785	0.9
93.07037	2.5
93.09904	0.7
94.06544	4.0
95.04974	1.3
95.07353	1.3
95.08584	0.8
96.08140	4.5
97.02889	4.0
98.97556	0.8
101.96660	0.6
105.03363	1.5
105.07027	0.8
107.07377	0.9
108.04455	0.8
108.08104	8.0
109.02855	2.3
109.10130	0.9
110.09678	8.7
112.07561	1.7
116.05027	0.8
117.07022	0.9
118.06555	0.8
119.08572	0.8
120.04389	1.3
120.08087	6.8
121.06511	1.0
122.05983	5.3
122.09682	1.6
124.07588	3.0
127.03912	1.9
134.06009	1.1
136.07571	10.2
137.05913	1.3
138.09116	12.0
140.07007	1.1
144.04434	1.7
145.02888	0.9
146.06001	2.5
148.07541	3.9
150.09145	2.7
152.07036	0.8
153.52585	0.7
157.04948	1.8
162.05505	1.4
164.07121	1.0
166.08612	15.9
167.07043	2.0
172.03911	7.6
176.07031	1.2
181.04948	1.8
190.04910	5.4
199.12369	0.9
204.06535	15.3
209.10674	0.8
211.08690	1.2
211.12265	0.8
212.09436	0.9
221.10750	0.9
223.08685	1.5
223.12349	0.9
224.09406	0.8
225.10170	3.9
227.11775	4.8
235.08501	3.8
236.09238	0.9
237.10207	5.6
238.10916	3.9
239.11784	4.4
241.13492	0.8
247.08627	2.7
248.09380	2.3
249.10165	9.7
250.10959	10.9
251.11745	11.0
252.12495	1.2
253.09731	3.9
253.13496	0.9
255.11157	0.8
261.10294	4.5
262.10922	4.2
263.11746	25.1
264.08887	2.8
264.12390	3.0
265.09744	4.1
265.13275	5.3
266.10541	1.8
267.11316	2.9
269.09668	0.6
269.10123	0.7
269.12857	5.7
271.10675	2.6
273.12390	1.1
277.09598	4.9
278.10504	3.4
279.11246	20.2
279.14111	1.4
280.12009	1.6
281.09677	1.3
281.12875	5.7
282.09924	1.9
283.10706	3.3
283.13718	0.9
284.11575	2.4
285.12338	2.9
287.05539	2.6
287.13760	4.2
289.09683	2.2
291.11218	13.5
292.11978	1.9
293.12799	3.9
294.12756	0.9
295.10782	4.2
296.11343	2.2
297.12296	7.4
298.13101	1.1
299.13852	2.0
305.09378	0.9
307.10712	9.3
308.11234	1.0
309.12280	11.8
310.13214	1.2
311.13980	3.1
313.11908	0.9
315.13821	1.2
317.09207	1.3
319.10632	5.3
321.12411	1.6
323.10214	4.1
323.13873	4.5
325.11743	10.4
326.12909	1.3
328.14496	1.5
329.15222	0.9
335.10287	5.8
336.11145	2.3
337.11758	31.3
339.13620	1.7
340.14264	1.3
342.12314	2.7
342.16089	2.0
343.12982	1.8
344.17911	0.8
355.12857	10.9
355.16821	1.2
356.13599	4.1
356.17676	1.2
357.14420	27.3
358.15033	2.9
361.02179	4.4
367.12860	13.9
368.13553	2.4
369.14426	15.5
370.15335	4.2
371.15930	0.9
372.17102	1.7
378.18106	1.3
383.12268	1.3
384.12924	1.6
384.17395	1.5
385.13599	1.0
386.14661	1.4
386.19016	1.0
388.16208	0.9
390.18094	1.6
398.14911	7.8
399.15686	10.3
400.16428	1.8
402.17947	1.8
403.18817	2.9
404.16010	2.1
414.18344	1.8
416.15848	7.4
428.16016	2.0
430.17694	1.9
432.19257	0.9
440.16241	2.1
442.17285	1.0
444.19202	1.8
446.16769	4.0
447.17502	0.9
458.17081	10.3
460.18646	1.9
478.19849	3.2
487.16946	3.4
488.18060	2.5
490.19617	17.0
491.20169	1.0
492.21252	2.1
502.19781	1.3
504.21249	2.9
520.20734	39.0
521.21301	9.5
522.22296	100.0
523.22742	7.0
569.23511	1.3
593.23877	2.7
611.24921	37.8
612.25299	2.6
625.26318	2.1
643.27643	11.4
650.23059	1.1
652.24518	1.6
682.25708	5.6
683.26776	2.2
684.27350	17.8
685.27643	1.2
690.00488	0.8
773.30194	7.8
805.30829	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	805.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19894	0.6
64.55015	0.6
66.43301	0.6
69.03420	1.5
71.87490	0.6
79.05472	1.5
80.04996	0.8
81.03394	1.3
81.05779	0.7
82.06561	0.8
83.08611	0.7
83.99246	0.6
85.02889	1.7
86.99880	0.7
89.03922	0.7
91.05495	0.8
93.03374	0.6
93.05731	0.9
93.07008	1.4
94.06555	3.9
95.04964	1.2
95.07335	1.9
95.08572	0.8
96.08123	4.1
97.02874	1.3
98.22700	2.1
105.03377	1.0
106.06516	0.9
108.04453	1.8
108.08119	7.4
109.02899	0.9
110.09666	6.5
116.04943	3.9
119.10636	0.6
120.04463	3.3
120.08066	6.0
122.06004	6.2
122.09621	0.8
124.07566	2.0
132.04453	0.6
134.05988	3.1
136.07556	8.0
138.09128	8.9
144.04439	8.3
146.05960	4.2
148.07576	4.0
150.09117	1.2
160.03903	2.0
162.05511	4.7
164.07062	1.4
166.08603	12.7
172.03909	50.7
173.04282	1.3
174.05641	1.4
176.07025	2.2
183.09108	0.7
186.09064	0.8
190.04961	11.2
197.10672	1.1
199.08627	0.9
199.12291	1.2
204.06531	100.0
205.06847	2.9
209.10759	1.6
211.08646	3.1
211.12286	0.7
212.09389	1.7
213.10341	0.8
223.12260	1.0
224.09351	0.8
225.06805	0.7
225.10199	8.1
226.10812	0.9
227.11729	12.1
229.13222	1.0
235.08545	0.7
236.09438	1.4
237.10184	2.9
238.10893	1.8
239.11760	3.2
241.09709	1.7
249.10121	1.3
251.07979	0.9
251.11714	2.7
253.09723	4.8
255.11243	1.3
263.08264	1.0
263.11603	1.1
264.08844	3.0
265.09732	1.3
267.11243	2.7
269.12784	7.3
271.10739	6.5
271.13394	0.9
273.12262	2.6
277.09674	2.2
279.11240	2.9
281.09384	0.6
281.12711	1.2
283.10651	5.1
284.11563	4.2
285.12347	4.4
286.13049	0.8
287.05304	0.8
287.13870	18.7
288.14304	1.1
295.10791	1.8
297.12311	7.1
299.13855	2.6
307.10840	1.1
312.14816	1.7
313.12622	1.3
314.12823	1.5
315.13480	1.3
316.14365	1.4
317.14944	1.2
323.10172	5.8
325.11801	10.5
325.15729	1.2
326.12976	1.0
326.16513	0.9
327.13486	2.6
327.17276	1.2
328.10785	2.9
328.14426	1.9
329.15051	2.6
330.12308	0.8
330.15964	2.9
331.16708	1.8
339.13513	1.6
341.11551	1.0
342.12363	5.5
342.16006	1.3
343.12909	4.6
344.13879	0.9
344.17764	0.8
354.16296	0.8
355.13229	1.2
356.13748	5.3
357.14386	37.4
358.15222	5.6
365.11215	0.7
367.13257	0.7
370.15585	4.0
371.16257	1.0
372.13025	1.0
372.17178	1.0
380.14023	1.1
382.11761	2.7
383.12567	2.5
384.13150	3.2
385.14194	2.1
386.14551	1.5
386.18671	2.7
390.18036	2.6
394.15094	0.7
397.14313	1.2
398.14957	18.0
399.15738	21.2
400.16217	2.6
402.18018	1.8
404.15848	5.5
412.16431	1.6
414.17966	3.7
416.15964	15.6
417.16235	1.6
422.16422	2.0
428.16086	3.1
430.17545	3.7
440.15875	5.0
446.16891	5.6
458.17010	19.3
459.17422	1.2
478.19525	2.5
487.16971	1.0
490.19678	11.2
567.25989	1.1
569.23700	2.6
583.25171	1.0
593.24017	3.3
611.24915	80.5
612.25092	8.2
635.09363	0.7
643.27521	39.0
644.27539	3.5
728.61877	0.8
773.29785	7.1
774.30621	0.7
805.38617	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10236	0.7
65.03926	1.5
65.89269	0.7
67.05515	0.9
69.03426	2.5
69.07072	0.7
69.24579	3.3
70.06582	2.2
73.02910	0.8
75.96432	0.6
79.05492	1.8
80.05025	1.0
81.03426	1.9
81.07031	1.6
85.02898	4.7
89.03885	1.0
91.05476	1.1
93.05779	1.1
93.07047	2.2
94.06548	4.3
95.04979	1.0
95.07359	2.5
96.08114	4.8
97.02871	5.5
97.06527	1.4
98.92364	0.7
103.40600	0.7
105.03401	1.0
105.06993	1.0
106.06553	1.3
107.07345	1.1
108.04485	2.4
108.08095	9.6
109.02869	1.1
110.06062	0.7
110.09685	8.1
112.07603	1.2
115.03921	0.9
115.05436	0.8
116.04983	2.0
117.07008	0.8
118.96622	0.6
120.00420	0.6
120.04454	4.8
120.08097	7.0
122.06012	6.2
122.09650	1.2
124.07564	5.7
134.06015	2.5
136.07552	12.1
138.05539	1.0
138.09126	9.9
144.04453	5.1
144.08148	1.0
146.05991	6.2
147.04367	0.8
147.11743	0.7
148.07536	4.2
150.09132	1.6
151.34813	0.8
152.07092	2.3
157.04921	1.6
160.03934	3.8
162.05492	3.7
164.07005	3.3
166.08609	18.0
167.07059	3.8
172.03915	28.6
172.07550	0.8
173.04404	0.7
174.05498	2.1
176.07065	3.4
177.05473	1.0
181.04977	1.9
182.09891	0.7
186.05487	1.1
188.07083	0.9
190.04956	19.9
190.06609	1.0
191.05363	0.9
197.10797	2.0
199.08771	1.3
199.12300	2.0
204.06531	50.6
205.06947	1.6
209.10880	1.3
211.08667	3.3
212.09351	1.9
213.10310	1.1
223.08559	0.8
224.09404	0.8
225.10165	9.3
226.10912	1.9
227.11769	13.0
236.09428	1.8
237.10207	3.5
238.10918	1.6
239.11755	3.9
241.09673	1.7
241.13321	1.8
243.11313	0.8
245.12909	0.9
249.10089	1.8
250.07166	0.8
251.08183	1.0
251.11758	3.7
253.09660	6.1
255.11365	2.8
263.08142	1.7
264.08896	3.9
265.09735	2.1
266.10507	1.2
267.11349	3.0
269.12778	16.1
270.10074	1.0
271.10706	9.0
273.12354	4.3
277.09772	2.9
279.11221	5.8
281.09607	0.8
281.12943	2.2
283.10663	5.8
284.11423	5.4
285.12280	5.3
286.13211	0.9
287.05484	2.1
287.13879	14.0
295.10733	2.1
297.12360	9.6
299.13803	4.7
300.11423	0.9
300.14700	1.0
302.12875	0.9
307.10779	2.8
309.12302	0.7
312.14987	2.4
313.12833	1.4
314.12915	2.6
315.13824	1.6
316.14432	1.8
317.15274	0.9
321.08688	1.6
321.12289	1.5
323.10162	7.4
325.11743	20.5
326.16516	1.7
327.13495	3.0
327.17337	1.7
328.10852	3.3
328.14496	2.5
329.15121	1.3
330.12448	1.4
330.16019	1.7
331.16901	2.7
334.09216	1.0
337.11810	0.8
339.13654	1.1
341.11630	1.1
342.12457	7.2
342.16000	1.4
343.12964	6.8
343.16672	1.1
355.13461	2.0
356.13940	6.5
357.14413	20.9
358.15210	5.1
365.11212	0.8
370.11853	1.1
370.15677	5.7
371.15979	2.5
372.17111	1.1
378.18091	2.6
380.13989	1.0
382.11719	3.4
383.12637	2.7
384.13025	4.3
385.13834	2.3
386.14758	2.2
386.19025	3.6
388.16418	0.7
390.18127	3.2
394.15192	1.6
396.17154	0.8
398.14905	19.4
399.10373	1.6
399.15723	32.6
400.16150	3.6
402.18231	1.8
404.15976	7.2
412.16693	3.2
414.18091	4.9
416.15970	20.3
417.16055	2.1
422.16599	2.1
428.16025	3.9
430.17618	3.8
440.15955	8.1
441.16385	0.9
446.16980	8.6
458.17053	29.2
459.17365	2.4
472.18823	1.1
478.19614	3.7
487.17065	9.0
490.19641	9.4
519.19989	1.2
541.24518	1.5
565.24176	1.5
567.25757	1.1
569.23419	4.6
583.25555	1.2
593.23682	6.0
611.24927	100.0
612.25116	9.1
643.27588	15.2
644.28064	1.5
755.29132	1.2
773.30084	24.8
774.30249	2.8
805.32111	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	805.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.1
67.05493	0.8
69.03417	2.8
69.07059	0.9
70.06583	3.4
73.02920	1.0
77.03951	1.1
79.05482	1.7
81.03405	1.4
81.07037	0.9
82.06577	1.5
85.02881	3.9
89.03896	0.8
91.05463	1.8
93.05767	1.3
93.07025	2.5
94.06567	5.4
95.04929	0.7
95.07335	1.6
96.08135	6.0
97.02877	5.3
97.06544	0.8
106.06548	1.4
107.07327	1.1
108.04501	2.5
108.08105	10.1
109.10142	0.8
110.09675	9.0
112.07597	3.2
115.03934	2.7
116.04964	3.4
118.06507	1.3
120.04441	3.8
120.08096	9.2
122.06021	6.1
122.09637	0.9
124.07580	6.1
134.05997	3.1
136.07552	9.0
138.05507	1.2
138.09131	10.5
139.14932	0.8
140.07018	3.6
144.04442	4.6
146.06001	5.8
148.07574	3.3
150.09154	1.3
152.07068	2.0
157.04968	3.8
160.03978	3.1
162.05496	5.2
164.07054	2.4
166.08609	18.8
167.07010	7.7
172.03915	23.2
172.05309	1.5
172.07503	0.7
173.05875	1.6
174.05505	2.4
176.07028	3.2
181.04926	1.5
184.09869	0.9
190.04974	20.6
197.10716	2.7
199.12218	1.9
204.06532	42.1
205.06860	0.8
209.10779	1.3
210.09201	1.6
211.08698	2.4
212.09419	1.7
213.10291	1.1
214.10941	0.8
222.30846	0.7
223.08600	1.1
223.12338	1.4
224.09468	2.2
225.10208	8.9
226.11049	1.5
227.11746	13.1
236.09380	2.1
237.10185	3.8
238.11021	1.7
239.08241	0.9
239.11679	4.2
241.09923	0.9
241.13277	1.8
243.11433	0.9
249.10266	2.3
251.08115	1.6
251.11877	3.9
252.08821	0.8
253.09705	5.4
255.11340	1.5
256.11526	0.9
263.08334	1.3
263.11826	2.6
264.08853	3.7
265.09763	2.4
266.10483	1.3
267.11227	2.6
269.12805	15.6
271.10687	8.9
273.12402	4.7
277.09686	2.8
279.11258	5.8
280.11728	0.8
281.12531	0.8
283.10785	6.0
284.11475	4.6
285.12277	3.8
286.13205	1.8
287.05386	1.7
287.13864	16.1
291.11304	1.2
295.10709	2.2
297.12326	10.3
299.13998	4.8
301.12454	0.8
302.12756	0.9
307.10654	3.6
309.12247	1.6
311.10556	0.8
312.15140	1.1
313.12241	1.0
314.12872	2.3
315.13724	1.9
316.11005	1.0
316.14465	2.6
321.12137	1.6
323.10123	8.0
325.11804	22.7
326.16516	1.9
327.13522	3.0
328.10806	2.7
328.14352	3.8
329.15182	1.9
330.12405	1.3
330.15988	1.7
331.16837	1.6
337.11395	0.9
339.13852	1.1
340.14243	2.0
342.12384	6.9
342.16125	1.6
343.12958	8.5
344.13708	1.3
354.12231	1.2
354.16150	1.8
355.13248	1.4
356.13870	6.2
357.14413	20.4
358.15555	4.1
365.11099	0.9
367.13409	1.8
370.11371	1.2
370.15521	4.4
371.16220	1.4
376.16541	0.9
378.18143	1.3
382.11865	3.1
383.12579	2.6
384.13016	5.6
384.17606	1.2
385.13971	2.4
386.14792	3.4
386.18741	3.0
388.16806	1.3
390.17950	2.8
394.15439	1.5
397.15146	1.4
398.15002	21.1
399.15717	27.7
400.16168	3.5
403.18784	0.8
404.15842	5.8
412.16718	1.6
414.18079	4.1
416.15955	15.8
417.15668	4.5
422.16727	2.4
428.16016	4.6
430.17664	3.4
440.16083	6.6
441.14871	1.7
446.17044	12.3
447.17615	1.3
448.18655	1.9
458.17059	28.8
459.17368	3.1
460.18387	1.2
478.19656	2.6
487.16998	10.1
488.18164	1.1
490.19678	8.7
565.24109	2.2
567.25604	1.0
569.23907	5.5
583.25403	2.6
593.23834	8.4
611.24933	100.0
612.25336	9.7
626.24512	2.6
643.27484	9.6
729.31281	1.0
731.28357	1.1
732.16901	1.0
745.30542	1.6
773.30280	18.7
774.29797	2.1
804.62109	1.0
805.34125	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	8.5
58.33482	3.0
65.55691	3.8
67.05149	4.6
67.05493	43.9
69.07053	6.2
72.90659	3.2
79.05481	49.8
81.03416	3.1
81.07046	92.4
83.04975	10.5
83.08588	7.6
85.06542	5.6
86.09686	5.1
91.05466	27.5
93.07027	29.8
95.04954	24.3
95.08602	26.3
97.06461	4.2
97.10163	7.2
97.13571	3.4
98.22702	7.3
102.24640	3.2
105.07019	19.0
107.04964	7.7
107.08581	20.0
109.06501	51.6
109.10137	10.2
111.04482	6.6
113.05965	3.8
117.07010	13.2
119.08581	23.1
121.06452	6.0
121.10135	11.4
123.08060	5.0
125.09618	4.2
128.06155	3.5
129.06984	6.1
131.08556	8.4
133.10127	8.7
135.08031	12.5
143.08592	6.7
145.10086	11.4
147.08014	7.8
147.11659	5.8
149.09584	7.2
157.10069	5.5
159.11681	7.5
161.09610	8.7
163.11076	3.8
171.11609	3.2
180.46977	3.3
184.07263	5.6
190.78398	3.4
227.97543	3.8
273.18457	25.8
291.16272	5.9
291.19495	100.0
335.25760	38.0
347.22113	8.2
351.21143	3.3
365.23111	14.4
463.65585	3.7
607.43054	5.2
625.44556	40.4
805.47656	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	805.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.7
57.70082	2.1
63.64069	1.8
65.03937	2.9
67.05497	40.2
69.03406	3.2
69.07060	8.7
71.05012	3.0
79.05034	3.7
79.05485	55.2
81.07046	100.0
83.04970	7.8
83.08598	7.4
84.33078	2.0
85.02918	4.6
86.09715	3.1
89.00109	2.0
91.05460	21.8
93.07028	35.1
95.04957	13.6
95.08582	20.9
97.06517	4.8
97.10152	6.3
99.04505	2.5
102.58454	2.1
105.07014	16.0
107.04939	6.1
107.08575	16.0
109.06503	38.7
109.10150	8.6
111.04433	7.0
111.08096	3.3
117.07017	10.4
119.08569	20.7
121.06501	6.4
121.10133	10.1
123.08098	3.5
125.09627	3.0
126.45351	2.0
129.06996	3.2
131.08580	6.8
133.06453	3.3
133.10127	3.5
135.08115	2.5
135.11725	4.4
136.34712	2.1
137.09612	3.1
143.08514	6.5
145.10129	11.1
147.08046	4.8
147.11671	3.8
149.09673	2.4
150.45941	2.2
153.12761	2.7
159.11646	3.4
161.09581	5.4
163.11156	4.7
184.07347	6.5
249.14819	3.7
273.18512	13.6
291.19485	46.0
335.25806	28.9
365.23126	8.9
548.80292	2.5
607.43323	6.7
625.44385	26.8
626.44580	3.3
629.96954	2.5
647.64716	2.3
676.46814	2.7
805.45966	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	806.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	9.4
61.02919	2.9
65.03941	3.2
67.05499	41.8
69.03410	4.4
69.07063	17.2
71.04981	7.4
71.44256	2.8
79.05490	51.3
80.79835	2.0
81.03420	11.5
81.07046	68.7
83.04977	6.9
83.08616	15.4
85.02900	5.1
88.97927	2.2
91.05466	35.7
93.07033	57.5
95.04964	24.1
95.08597	50.1
97.02834	4.7
97.06516	7.7
97.10168	5.7
98.97583	3.0
99.04461	5.2
103.05446	3.4
105.03387	10.0
105.04451	2.3
105.07016	28.4
107.04931	20.3
107.08580	36.6
109.06501	12.9
109.10126	13.7
111.04451	5.3
111.08080	4.3
117.01019	2.2
117.07006	22.7
119.08571	30.9
121.06513	11.9
121.10120	22.0
123.08031	11.1
125.05994	5.2
125.09628	6.2
128.06206	3.2
129.07013	8.4
130.95973	2.1
131.08562	13.8
133.06490	2.9
133.10114	12.0
135.08044	8.9
135.11679	53.4
137.09619	4.0
143.08551	6.2
145.06445	4.0
145.10107	37.9
147.08032	10.4
147.11674	5.6
149.09621	8.5
151.11171	2.7
153.12766	2.6
157.10081	4.9
159.11678	5.7
161.09618	6.9
163.11176	74.6
169.10120	2.5
171.11653	4.8
173.09651	3.4
173.13135	2.3
175.11203	5.6
181.12184	11.8
191.10570	2.4
193.12192	5.3
197.07347	2.9
209.11668	3.6
213.19427	1.9
227.12750	82.2
255.17531	2.3
267.15869	3.0
273.18530	22.0
275.20026	2.5
283.15359	100.0
284.15665	4.7
291.19482	27.0
301.80157	2.6
309.16101	4.4
339.36218	2.2
347.22076	10.8
347.26028	2.8
383.19745	31.7
401.15851	1.6
401.20837	42.7
402.21231	2.7
442.08560	2.4
555.32971	9.5
559.35925	5.2
573.34058	13.3
591.22229	3.5
591.30786	48.9
592.30603	3.1
609.31714	66.4
610.31494	3.2
644.42499	2.2
806.42938	2.7
807.40442	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	806.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	14.6
59.04977	1.6
61.02914	4.2
62.02390	1.9
65.03915	4.1
67.05493	37.8
69.03427	8.7
69.07065	13.8
69.83433	1.8
71.04971	5.0
77.29967	1.7
79.05481	38.8
81.03407	55.5
81.07043	48.1
83.04974	14.2
83.08609	22.6
85.02885	22.3
85.06538	2.4
91.05464	46.3
92.05811	2.6
93.07030	35.4
94.07336	1.7
95.04953	39.0
95.08583	16.3
97.02857	6.4
97.06506	6.3
97.10126	6.1
105.04506	3.8
105.07015	32.4
107.04944	14.5
107.08579	23.7
109.02859	2.8
109.06483	6.6
109.10159	10.3
111.04430	4.4
111.08053	9.5
115.05428	3.2
117.06999	18.6
119.08559	29.9
121.06485	7.6
121.10163	12.2
123.08012	7.2
125.09584	3.3
128.06236	2.7
129.06979	15.3
131.08560	16.6
133.06464	3.6
133.10127	17.5
135.08064	15.6
135.11650	5.1
137.09564	7.0
142.07716	2.5
143.08508	4.6
145.06470	4.6
145.10086	12.0
147.08044	7.3
147.11673	16.4
149.09612	7.3
151.11121	3.5
155.08521	2.3
157.10098	13.6
159.07991	2.2
159.11641	3.1
161.09599	5.8
161.13007	1.9
163.07469	3.8
163.11147	7.1
165.12688	2.0
169.09984	2.2
171.05707	5.4
171.11691	4.4
173.09616	3.5
173.13129	2.7
175.11142	13.5
193.12218	29.2
199.05249	2.4
211.13249	43.1
245.42671	2.2
267.15894	17.6
271.16840	3.1
273.18433	5.9
279.15125	2.9
283.15302	4.9
285.16928	41.9
289.17874	5.7
291.19513	3.0
293.21024	2.7
306.25565	2.0
347.22141	2.6
399.19266	61.4
400.19077	4.1
499.62335	2.3
527.33527	2.5
550.25079	2.0
555.32861	8.3
559.35907	2.8
573.34100	2.4
591.30090	14.1
608.50500	2.1
609.31781	100.0
610.31946	5.7
631.95020	2.2
806.40784	2.6
807.40247	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	0.9
57.03432	13.5
57.07063	1.3
59.04988	1.8
59.77768	0.6
61.02918	4.4
62.37585	0.7
65.03915	2.2
67.05497	29.9
67.39209	0.6
69.03423	3.4
69.07059	12.4
71.01369	1.5
71.04981	5.0
73.02917	1.4
77.03899	0.8
79.05482	40.1
81.02955	0.9
81.03408	13.9
81.07046	51.8
83.00921	0.8
83.01340	7.4
83.04971	11.9
83.08607	14.7
85.02898	6.3
85.06518	0.7
89.01570	1.0
90.11397	0.5
91.03922	1.1
91.05469	33.1
93.04680	0.7
93.07033	39.3
95.01292	1.7
95.04958	18.1
95.08010	1.2
95.08592	15.7
97.02879	4.6
97.06520	6.1
97.10153	5.8
99.04427	2.0
99.08076	1.2
103.05424	1.7
105.03387	1.0
105.04558	1.4
105.06342	1.3
105.07019	23.4
107.04237	1.0
107.04943	16.4
107.08580	20.7
107.31130	0.6
109.02850	0.8
109.06505	12.3
109.10139	7.1
111.04439	4.0
111.08060	5.0
114.50290	0.6
115.05431	2.1
116.06105	0.7
117.01014	1.3
117.07011	15.5
119.04871	1.2
119.08559	23.0
121.06491	7.6
121.10121	14.4
122.27852	0.7
123.04423	0.9
123.08046	16.1
125.06002	1.4
125.09615	5.8
127.07612	0.6
128.06192	2.7
129.01053	0.7
129.06976	7.3
130.07755	2.1
131.02563	1.5
131.04887	1.4
131.08548	13.8
133.00499	1.1
133.06482	3.4
133.10126	8.6
135.08034	5.8
135.11679	13.0
137.09589	4.5
139.07515	1.0
141.06931	1.2
142.07790	1.7
143.08549	7.4
145.00505	1.2
145.06485	2.2
145.10104	23.2
146.10428	0.9
147.08029	9.9
147.11638	3.7
149.02325	3.1
149.09605	7.7
150.02637	1.4
151.11198	1.2
153.08997	1.0
153.12709	2.4
155.08583	1.8
157.10132	4.6
159.08032	1.8
159.11684	4.7
161.09590	8.6
161.13216	0.9
163.11160	26.3
164.11525	0.7
165.12698	1.1
167.06264	0.7
167.08536	0.7
169.10086	2.3
171.07996	1.1
171.10384	0.9
171.11615	4.6
173.09604	3.4
173.13182	0.9
174.85237	0.7
175.11163	3.0
177.12712	0.9
181.10057	1.6
181.12140	3.9
185.13249	2.1
187.11133	1.5
189.11189	1.6
189.12727	1.2
191.10657	2.4
193.04924	2.9
193.12242	0.8
195.11594	1.2
197.07243	3.6
199.11211	1.2
209.11685	6.2
213.16353	0.9
223.13292	1.1
227.12758	4.9
227.17934	2.6
237.07524	1.1
237.16353	0.9
245.18991	2.3
249.14914	2.3
255.17458	3.7
265.14258	1.7
273.18451	24.0
281.16675	0.9
283.15356	100.0
284.15704	2.6
291.19495	34.4
292.19894	1.0
309.16119	5.8
327.17230	2.6
347.22073	5.3
349.23737	0.9
380.57709	0.7
383.19775	22.7
401.20847	39.7
402.21085	1.2
555.33118	8.5
573.34290	8.1
591.30756	38.0
592.30951	1.9
607.66901	0.8
609.31750	42.6
610.32373	3.3
806.38403	2.5
807.38873	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18142	2.6
57.03429	27.4
59.04978	4.3
61.02903	7.2
61.29330	2.5
64.26237	2.2
65.03925	4.4
67.05496	76.8
69.03425	13.5
69.07056	28.7
69.11265	13.2
71.01360	4.9
71.04981	9.2
73.02910	7.3
79.05480	74.6
81.03404	62.5
81.06557	4.7
81.07043	100.0
83.04970	28.3
83.08600	35.4
85.02888	16.4
85.06522	5.2
91.05463	60.5
93.07037	53.6
95.04954	46.4
95.05524	4.2
95.08585	28.8
96.05753	3.4
97.02864	14.2
97.06532	19.5
97.10152	36.9
98.07285	3.0
98.22682	4.6
99.04442	4.4
101.05967	2.5
103.05455	3.0
105.04538	3.4
105.07007	42.0
107.04948	22.6
107.08572	37.9
109.02871	4.8
109.06503	20.8
109.10134	26.3
111.04411	13.0
111.07542	2.2
111.08096	24.7
116.04692	10.7
117.07001	16.8
119.04881	2.2
119.08559	38.6
121.06483	9.6
121.10135	20.9
123.04431	7.2
123.08041	21.7
123.11654	5.4
125.09616	36.8
129.05455	35.8
129.06946	16.9
131.08531	24.8
133.06473	8.9
133.10088	22.0
135.08020	15.4
135.11626	12.3
137.09607	20.9
142.07828	3.9
143.06976	4.1
143.08548	6.2
145.06485	4.3
145.10095	17.2
147.08020	14.2
147.11647	19.6
149.09583	17.8
149.13202	3.9
151.11211	3.2
153.09074	7.6
153.12740	6.9
155.08501	3.8
155.10658	4.3
157.08597	10.2
157.10117	17.2
159.08003	3.5
159.11711	7.1
161.09615	10.1
163.07582	3.1
163.11189	23.7
165.09096	7.6
171.06505	3.2
171.10129	6.8
171.11562	3.9
173.09593	7.1
173.11819	6.3
175.11143	21.9
179.15739	2.5
181.12187	10.1
187.11133	3.1
189.11197	23.4
189.12648	3.6
191.10625	5.3
193.12216	52.4
199.11395	2.8
199.13289	10.2
209.11760	3.3
211.13245	61.5
211.15117	4.7
223.13312	5.2
227.12740	26.5
229.14314	8.5
245.18977	5.0
249.14983	3.9
263.20010	3.8
267.15851	23.2
271.16940	3.7
273.18454	35.0
283.15427	10.8
285.16913	39.6
289.17935	6.8
291.19464	63.9
291.22601	3.8
301.16388	53.0
308.62424	2.5
309.20636	8.7
347.22061	11.8
365.23175	27.8
383.24213	13.0
399.23608	11.0
421.25827	4.3
439.26755	20.8
447.27332	2.8
461.28561	4.3
523.28516	3.7
557.34882	17.6
573.33765	8.0
575.35535	13.5
590.15674	3.4
591.35156	30.1
609.36157	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	13.4
57.07065	2.6
61.02937	2.4
65.03922	6.4
65.29676	1.8
67.05496	76.2
68.42126	2.1
69.03419	5.8
69.07059	24.6
70.30056	5.2
71.04982	6.1
79.05096	1.5
79.05480	77.6
81.03416	24.7
81.07047	100.0
83.04971	29.8
83.08620	16.7
85.02889	7.8
85.06541	6.3
91.05472	45.1
93.07036	64.5
95.01347	2.3
95.04962	32.5
95.08595	24.5
97.02879	6.6
97.06525	18.7
97.10166	21.7
99.04464	7.6
105.04518	4.9
105.07014	28.6
107.04939	48.1
107.07909	3.3
107.08582	37.1
109.06499	16.6
109.10143	19.5
111.04436	34.0
111.08069	13.5
115.05400	2.4
117.07003	20.7
119.08558	32.6
121.06513	14.3
121.10133	44.8
123.04408	4.3
123.08051	26.9
123.11715	3.6
125.09608	23.6
128.06195	2.5
129.06972	10.5
131.04913	3.6
131.08548	24.3
133.06508	5.4
133.10139	12.6
135.08043	9.9
135.11676	38.9
137.09589	8.1
141.06941	2.6
142.07802	2.3
143.08585	8.5
143.10400	2.8
145.06447	9.3
145.08981	3.0
145.10104	53.8
145.11205	3.4
147.08015	13.4
147.11684	10.1
149.09589	14.1
149.13298	3.3
153.09062	4.9
153.12747	15.9
155.08568	8.8
157.10110	7.5
159.08070	2.7
159.11719	4.7
161.09590	10.9
163.11172	56.8
165.09129	5.4
171.11667	4.2
173.09587	30.3
175.11240	6.5
177.12675	2.7
181.10713	2.6
181.12225	19.1
189.11205	13.2
189.12653	3.1
191.10635	21.3
193.12259	3.7
209.11655	11.9
223.13307	6.2
227.12753	34.1
245.18788	2.8
255.17459	4.3
265.14307	72.1
273.18481	38.4
274.18735	2.9
283.15369	55.4
283.18237	4.3
291.19492	87.8
301.16412	56.2
309.20499	14.7
332.85648	2.5
336.63956	2.2
347.22049	11.4
365.23233	27.8
383.24271	16.9
396.90393	2.6
435.24014	3.6
477.28415	2.6
537.31458	3.7
555.32971	34.3
573.25305	3.8
573.34094	72.1
574.34509	3.2
591.26459	3.8
591.35229	53.0
592.35742	3.0
609.36279	32.1
610.36603	3.4
660.22211	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	806.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	8.9
64.50726	1.0
65.03931	2.7
67.05492	30.1
68.62708	1.0
69.03409	2.6
69.07062	9.9
69.95081	3.1
71.04978	4.9
74.25207	1.2
77.03881	1.6
79.05482	24.3
81.03403	65.9
81.07041	24.7
83.04965	10.4
83.08606	26.7
85.02895	3.3
85.06522	1.8
91.05460	24.6
93.07032	23.2
95.04952	62.6
95.08591	14.1
96.05292	2.3
97.02866	2.7
97.06504	4.8
97.10154	9.8
99.04449	3.2
101.61040	1.0
105.03377	20.0
105.04494	2.5
105.07014	23.9
106.03701	5.4
107.04922	11.0
107.08569	18.0
109.06507	6.7
109.10128	8.7
111.04427	9.0
111.08046	7.9
115.05433	2.0
117.06999	8.5
119.04897	1.2
119.08561	19.8
121.06490	6.7
121.10135	14.3
123.04435	1.3
123.08043	4.9
123.11674	1.9
125.09607	9.2
128.06241	1.7
129.06973	9.7
131.08560	14.9
133.06480	2.2
133.10130	10.6
135.08060	3.1
135.11658	6.9
136.24179	1.1
137.09569	3.1
141.08994	1.5
142.07768	1.7
143.08524	2.4
144.08954	1.3
145.06447	2.6
145.10109	14.1
147.07977	5.3
147.11656	11.3
149.09599	16.7
149.13138	1.9
151.11113	1.4
153.09154	1.7
155.08585	2.0
157.10109	11.6
159.11690	7.7
161.09612	2.9
161.13266	1.6
163.09906	2.1
163.11159	19.7
163.12428	2.1
165.12726	3.6
168.09106	1.0
169.10121	2.4
171.11670	1.9
173.09595	1.8
173.13228	2.4
175.11143	8.4
177.12666	2.4
181.12195	1.1
183.11673	1.6
187.11217	3.9
189.11165	4.7
189.12668	1.5
191.14185	1.0
193.12190	14.6
194.10620	1.0
204.70737	1.0
205.12190	3.0
209.11583	1.1
211.13316	2.2
216.09210	1.2
223.13242	20.7
227.12773	3.6
229.19360	1.1
235.67752	1.4
239.17885	2.7
249.14896	1.8
250.79927	1.1
257.16519	1.4
257.18979	4.8
267.15863	100.0
268.16241	3.0
273.14960	1.1
275.20013	32.6
275.22916	2.2
276.20474	1.5
291.16034	1.1
291.19516	2.0
293.21048	22.3
309.16956	1.9
331.22519	1.6
349.23682	19.7
367.24713	30.9
431.28378	1.5
433.25830	10.0
437.25409	1.2
449.30270	2.3
467.31085	2.7
510.36633	1.3
521.96985	1.2
541.35193	28.1
542.35449	2.1
559.36212	96.8
560.36426	5.4
769.48340	1.2
806.30634	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	806.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01545	2.9
57.03429	17.7
61.07602	3.1
67.05494	46.1
69.07047	14.8
70.83779	6.0
79.05492	34.7
81.07043	50.1
83.04948	5.7
83.08599	6.7
85.06554	3.2
91.05460	41.2
93.07030	50.2
95.01345	5.2
95.04936	8.4
95.08592	41.6
97.06509	7.7
105.07015	37.6
107.04966	6.0
107.08575	26.1
109.06506	10.7
109.10153	15.6
116.85140	2.9
117.07011	12.6
119.08559	30.6
121.10125	27.5
121.13039	3.0
129.07007	4.4
131.08563	25.4
133.10118	23.2
135.11670	10.7
137.09567	4.0
143.08557	5.2
145.10103	16.1
147.11649	10.7
149.09608	6.3
149.13242	5.2
157.10120	3.2
159.11670	10.9
161.13203	3.1
179.14305	3.6
181.63776	3.3
219.17386	100.0
275.20007	24.4
335.25732	42.9
347.44037	3.3
349.23718	21.5
427.41013	3.4
469.57440	3.7
609.35175	4.1
609.44983	75.9
610.45032	6.6
649.49670	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	807.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06572	2.3
67.05499	4.1
69.03423	6.2
70.51430	1.8
70.51747	2.5
79.05474	4.0
81.03403	2.1
81.07053	2.4
84.08128	2.1
85.02907	8.4
91.05487	5.1
93.07057	4.1
94.06564	5.0
95.04948	2.3
95.07320	2.7
95.08586	3.3
96.08119	5.8
97.02900	5.7
103.05467	2.9
105.07073	1.9
106.06576	2.3
108.08108	15.8
109.10183	1.8
110.09663	9.8
116.04940	2.4
120.04507	3.1
120.08083	12.8
122.06008	11.5
122.09664	7.6
124.07618	6.7
127.03919	2.6
134.06020	2.6
136.07547	27.1
137.68254	1.6
138.05527	1.8
138.09109	18.1
146.06012	8.0
147.04422	2.4
148.07542	13.8
150.09146	12.8
151.03893	3.4
152.07054	27.2
162.05489	3.3
164.07056	8.0
166.08607	36.1
172.03914	21.8
174.05411	1.9
176.07033	3.5
181.04994	5.6
182.08105	1.9
190.04996	18.0
194.08118	2.2
198.11591	2.1
204.06526	28.5
210.11560	4.4
211.12259	6.3
218.08250	1.9
223.12328	7.1
224.12970	2.0
225.10269	7.7
225.13799	2.7
226.11081	5.5
227.11835	3.5
235.12260	3.3
237.10172	8.8
238.11017	9.0
239.11790	7.1
240.12558	1.9
241.13435	1.8
241.16615	1.8
246.07637	2.0
248.09590	3.8
249.10175	6.7
250.11041	5.0
251.11774	16.3
252.12555	4.6
253.09625	3.5
253.13440	5.1
255.11203	4.8
256.12112	2.3
262.11026	4.3
263.11777	15.6
264.08780	4.1
264.12619	5.0
265.09775	5.6
265.13290	10.4
266.10574	6.0
267.11197	18.9
269.12842	6.1
271.10800	2.6
271.14352	3.8
273.12320	3.3
276.08835	2.3
277.09714	3.9
278.10388	3.9
279.11243	31.8
280.11877	5.0
281.12875	9.0
283.10794	6.0
283.14432	2.8
284.11508	10.5
285.12305	38.5
286.12616	2.3
287.13916	3.2
291.11240	16.2
292.12112	4.3
293.09726	1.8
293.12878	11.0
295.10745	3.3
296.11450	6.9
297.12286	51.5
298.12711	2.7
299.13867	8.1
307.10599	3.0
309.12286	15.4
310.13101	4.4
311.10211	6.3
311.13959	6.0
313.11658	4.2
319.10739	8.5
321.12283	15.9
323.10226	10.8
325.11838	22.4
326.12546	2.7
327.13220	12.1
337.11789	43.6
338.12222	3.7
339.13385	8.4
341.11118	2.0
343.12875	3.2
344.13632	2.6
355.12878	2.6
357.14508	12.0
369.14346	4.8
372.16925	2.6
373.13867	2.6
385.13983	3.1
386.18457	2.1
390.18124	2.2
402.17862	2.6
404.19766	5.1
418.16959	1.8
422.20639	2.2
430.17523	6.7
432.19321	8.4
442.17947	2.2
446.20840	3.5
448.18683	20.6
449.19351	15.0
450.20142	13.1
460.18588	11.6
462.20233	3.7
474.19922	4.8
476.18030	6.9
477.19052	9.8
478.19623	4.4
487.17679	3.3
490.19644	34.2
491.20438	3.2
492.21521	9.1
522.22076	11.5
523.22650	3.8
580.22858	2.2
594.23962	2.9
595.25452	10.0
608.26135	2.0
611.24725	4.8
612.25049	6.5
613.26483	100.0
614.26654	7.8
640.24530	2.3
645.28821	10.1
652.24963	21.8
653.25769	11.9
654.26477	4.7
684.27570	9.3
685.28162	5.9
756.22296	1.9
775.31714	27.8
807.33496	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	807.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96602	1.4
57.03427	6.3
58.27913	1.1
61.02910	1.6
61.23705	1.0
67.05493	20.4
69.03428	2.9
69.07072	8.5
70.07379	1.1
70.64967	1.1
71.04987	2.5
74.00175	1.0
76.75285	1.0
79.05480	15.7
81.03407	20.1
81.07039	15.7
82.07381	2.3
83.04972	3.5
83.08595	7.6
85.02908	2.4
85.06496	1.3
87.32600	1.1
91.05471	13.2
92.05817	1.4
93.07030	13.4
95.04952	13.3
95.08588	6.5
96.05282	2.4
97.02890	2.5
97.06526	2.5
97.10175	3.8
99.08115	1.6
105.03384	14.7
105.07017	11.1
106.03724	4.2
107.04980	3.2
107.08591	9.7
109.06524	4.3
109.10155	6.3
111.04459	2.6
111.08069	1.1
115.05511	1.4
117.07032	4.0
119.08552	7.6
121.06514	2.8
121.10105	6.3
123.04487	1.1
123.08048	2.2
125.09615	2.7
129.06987	3.6
131.08540	6.1
133.06468	1.4
133.10104	6.7
135.08038	2.7
135.11696	3.7
143.08498	1.4
145.06494	1.3
145.10132	4.9
147.08061	1.8
147.11690	3.9
148.12088	1.4
149.09663	4.2
157.10106	2.2
158.14685	1.1
159.11716	3.0
163.11183	2.7
171.11745	1.2
173.09732	1.6
175.11258	2.3
189.11137	1.2
191.10806	1.4
193.12199	5.5
194.12550	1.8
227.12762	1.8
229.14325	2.2
255.09090	1.3
255.15926	2.2
267.09048	1.7
267.15875	15.3
268.16290	4.4
269.17548	3.3
270.17645	1.4
273.14960	1.4
275.20160	5.0
276.20435	2.9
291.19434	2.4
349.23709	3.4
360.36212	1.2
367.24661	1.5
422.26447	1.6
443.27887	1.5
447.27362	2.7
448.27744	1.7
461.28903	9.3
462.29147	8.0
493.31613	1.8
541.35217	5.3
542.35712	5.4
559.36365	3.1
560.36511	2.8
581.22797	1.5
807.35345	100.0
808.36285	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	808.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.1
58.06593	0.7
61.02915	1.7
61.19242	0.3
64.14476	0.3
67.80823	0.4
68.05013	0.6
69.03421	26.4
70.06582	100.0
71.04993	2.0
71.06907	0.6
71.89818	0.3
73.02882	0.3
81.03406	13.7
81.07041	0.4
83.01347	1.3
85.02892	23.7
87.04510	0.5
91.05476	0.7
97.02878	26.2
99.04442	7.8
100.10453	0.4
101.02372	0.7
102.90347	0.4
107.04948	0.4
109.02863	63.2
110.03246	0.5
112.07587	89.0
113.07934	1.0
115.03938	1.2
116.07076	1.8
119.04924	0.5
121.02841	0.6
123.63992	0.4
127.03898	32.8
128.04263	0.4
137.02354	1.9
137.03235	0.4
137.05966	2.0
139.03883	3.5
140.07042	71.2
141.07402	1.1
145.02863	1.1
145.04936	8.8
147.04420	0.6
153.01811	0.7
157.05013	0.4
158.08109	11.1
163.03891	0.5
166.04968	1.2
167.07060	0.4
169.04939	6.9
177.05455	1.5
181.04865	0.7
187.05989	9.2
187.07411	0.5
200.09180	0.4
205.07040	13.2
207.06502	1.3
212.09242	0.7
230.10217	1.6
242.10210	0.8
266.10193	4.4
278.13831	1.0
284.11249	15.4
287.01706	1.4
287.05325	0.9
299.05020	0.4
302.12225	2.6
303.04932	9.7
304.05212	0.4
305.13181	0.4
345.05960	2.6
350.87604	0.4
380.84506	0.4
393.05981	0.5
411.06949	0.8
412.13455	0.5
444.27396	0.8
452.05881	1.7
478.24170	1.2
493.26459	0.8
604.16040	1.6
808.39056	1.5
808.55017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86010	0.4
69.03406	0.5
71.43971	0.4
73.93691	0.4
77.75875	0.4
85.02885	0.4
86.06066	0.5
97.02847	0.6
100.98882	0.3
107.86386	0.3
109.02851	1.0
123.07104	0.4
127.03880	0.6
133.75818	0.4
137.06000	0.5
142.52832	0.3
145.02823	0.6
167.07030	0.6
177.05513	0.6
178.07761	0.4
181.04735	0.4
191.08527	1.2
207.08037	2.0
208.08862	1.2
209.07919	0.7
209.09698	0.6
219.07999	1.9
220.08794	3.7
221.09593	1.3
223.11082	2.4
233.09650	1.8
234.06761	0.6
235.07538	3.2
236.08290	7.7
236.81824	0.4
237.09033	1.4
239.10649	1.1
247.07515	1.1
248.08270	0.5
249.09079	1.5
250.09822	1.4
251.10654	13.9
252.07768	1.0
252.10893	0.4
261.09158	0.7
262.09930	0.6
263.07098	0.9
263.10660	2.1
264.07721	1.1
267.10043	5.0
273.07269	0.5
277.08514	1.6
278.09317	1.1
279.10114	33.8
280.07419	0.7
280.10526	1.9
281.08060	0.6
281.11749	1.0
287.05469	1.2
293.11609	1.2
294.12457	92.8
295.09653	30.8
295.12814	4.2
296.10077	2.6
310.11942	45.2
311.12183	1.8
325.14297	100.0
326.14688	4.2
342.16953	30.8
343.17297	1.3
352.63983	0.4
455.48123	0.4
582.15643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	22.6
59.04997	2.0
61.02906	4.3
64.59066	2.1
65.03926	3.5
67.05496	65.2
67.05859	3.6
69.03410	7.5
69.07062	24.4
71.04980	10.3
73.02911	2.8
79.05483	75.1
81.03406	95.2
81.07047	100.0
82.03752	2.0
82.07387	2.0
83.04971	25.7
83.08124	2.1
83.08609	40.5
85.02892	32.9
85.06550	4.0
85.10210	1.8
91.03951	3.5
91.05466	79.7
92.05814	3.2
93.07034	47.7
94.07362	1.8
94.13732	1.8
95.04958	60.0
95.08598	30.7
96.05293	1.8
97.02891	5.7
97.06508	9.4
97.10120	10.6
98.22636	4.6
99.04416	2.9
99.08075	4.1
105.03368	2.8
105.04485	1.7
105.07014	53.8
105.07722	3.1
106.07339	2.2
107.04944	26.4
107.08571	26.4
109.06516	21.7
109.10146	13.5
111.04427	6.9
111.08077	15.7
113.05990	2.3
115.05431	3.9
116.06199	2.3
117.01008	3.5
117.06998	18.9
119.04919	2.5
119.08559	55.2
120.08921	3.7
121.06484	16.1
121.10125	24.0
123.08058	19.8
123.11688	4.1
125.09613	7.0
128.06165	4.5
129.06979	26.2
131.02621	2.6
131.08549	34.2
131.09460	3.2
133.06464	9.4
133.10097	23.9
135.08025	6.3
135.11647	7.2
137.09604	6.1
142.07730	3.3
143.08553	9.1
145.06497	3.2
145.10095	22.8
147.08032	17.4
147.11659	23.2
149.09602	20.6
151.11157	3.8
153.09039	2.0
157.10115	25.5
157.77539	1.6
159.08037	2.9
159.11678	8.4
161.09624	12.3
161.13287	2.7
163.11134	11.6
165.12738	7.2
169.10083	3.3
171.10213	3.2
171.11661	9.5
173.09705	3.5
175.11182	20.0
181.10077	2.8
183.05728	2.2
185.13284	4.0
187.11110	2.6
189.11150	3.1
189.12772	2.6
193.12219	47.5
195.11806	2.7
197.07321	4.2
211.13252	78.7
227.17950	1.8
231.13431	2.1
237.16382	3.9
245.18924	3.3
249.14847	5.0
255.17400	6.4
267.15866	52.5
267.18716	3.4
268.16077	8.3
269.16653	3.9
273.18442	38.6
275.20087	4.3
285.16910	79.3
286.17236	3.4
291.19492	44.9
309.16168	10.2
319.98059	2.0
327.17133	3.6
347.22153	10.3
365.23047	1.7
367.24658	4.2
368.24930	2.8
383.19794	42.2
401.20877	52.2
539.33710	6.9
541.34570	3.1
542.35120	5.9
543.35590	6.1
557.34698	16.3
559.35645	3.8
560.36603	11.5
561.36993	9.2
575.30457	18.3
593.32245	67.2
594.32788	4.6
611.33319	56.9
612.33527	4.2
808.40845	6.7
809.40692	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	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	8.2
67.05492	56.1
69.07043	12.8
72.75394	4.3
79.05489	45.8
81.07043	58.9
81.18890	3.7
83.08607	7.0
85.02827	3.2
88.80396	4.1
91.05469	36.5
93.07043	53.3
95.04958	10.0
95.08591	42.0
97.02869	5.2
97.06503	4.5
105.07021	25.7
107.08559	26.1
109.10130	15.2
117.07022	10.6
119.08566	30.9
121.10135	24.7
131.08536	16.2
133.10117	22.8
135.11688	18.6
145.10117	9.5
147.11655	13.4
149.13177	6.9
151.88879	3.5
157.10135	7.0
159.11702	13.6
161.13231	8.7
163.14798	4.2
171.11702	7.1
173.13191	7.0
183.75098	3.4
185.13237	5.5
187.14752	5.9
231.21140	4.0
241.19614	7.1
259.20526	18.4
261.22150	7.3
277.21573	14.3
293.21213	4.5
333.24048	15.5
335.25763	100.0
336.26028	4.6
351.25223	20.2
500.14151	4.4
529.39093	5.2
611.46545	32.3
795.51813	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	808.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	16.9
59.92338	10.7
65.67581	11.6
67.05495	100.0
69.07051	20.9
69.59700	30.5
70.60135	10.2
79.05468	84.1
81.07050	94.1
83.08601	17.5
91.05482	93.4
93.07017	84.4
95.04976	24.3
95.08601	76.8
98.22747	22.5
105.07017	89.5
107.08576	63.3
107.35063	11.1
107.73036	13.8
109.10116	29.5
117.06963	29.6
119.08567	63.7
121.10145	47.2
129.06966	13.3
131.08507	38.9
133.10123	50.7
133.55737	12.3
135.11639	28.0
145.10100	37.2
147.11688	23.0
157.10197	15.2
159.11684	20.5
161.13225	23.0
173.13290	15.1
173.15715	12.7
175.14861	13.8
193.37123	13.2
241.19554	24.9
259.20428	63.5
333.24188	35.9
335.25714	61.3
360.25098	12.8
392.11636	13.9
438.72495	12.8
611.45959	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	809.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.1
59.38073	0.5
61.02916	7.3
65.03909	0.8
67.05489	4.9
69.03418	4.6
69.07044	2.3
69.65707	0.6
69.68951	1.0
69.69334	1.4
71.01338	1.0
71.04977	1.1
73.02906	5.0
74.50344	0.6
79.05486	5.8
81.03402	5.5
81.07043	7.2
83.01324	1.3
83.04969	2.2
83.08589	1.9
85.02888	7.9
87.04465	0.7
91.03925	3.9
91.05463	4.9
91.71616	0.5
92.05788	0.8
93.07031	6.5
95.04951	2.6
95.08588	2.1
97.02882	6.3
97.06499	1.3
97.10181	1.0
99.04446	1.9
101.02367	3.4
103.03894	0.6
105.07033	3.0
107.04946	1.7
107.08553	3.8
109.02852	1.8
109.06501	2.4
109.10146	1.2
111.04417	0.8
111.08057	0.9
115.03894	0.9
117.06992	1.9
119.08566	3.0
121.06503	1.3
121.10131	2.5
123.08004	1.7
125.09608	0.6
127.03905	2.6
129.07001	0.6
131.08537	1.9
133.10100	1.1
133.22990	0.5
135.08022	2.6
135.11678	1.8
137.09573	1.2
143.08498	0.9
145.06400	1.0
145.10109	2.7
146.06491	0.6
147.08064	1.1
149.09621	0.9
159.11752	0.7
161.09625	0.8
162.64984	0.5
163.11179	3.2
167.06949	0.5
171.05637	0.6
173.09689	0.8
185.04115	0.9
191.10667	0.6
192.93866	0.6
203.05327	0.6
209.11571	0.6
232.46545	0.6
243.08279	3.8
249.10965	0.7
252.48430	0.5
283.15320	1.7
329.17090	0.7
467.18735	11.2
518.15222	0.7
547.24341	1.4
583.22864	4.8
610.29840	0.7
636.77991	0.7
648.92273	0.7
705.38190	1.3
809.34430	100.0
810.34338	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	809.369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.4
57.03416	1.8
61.02915	1.8
67.05491	5.9
69.03422	1.5
69.07062	1.7
71.43082	1.3
73.02921	1.0
79.05485	3.3
81.03404	1.5
81.07050	5.4
83.04972	1.5
83.08622	2.1
85.02877	1.7
91.05470	3.8
93.07034	3.1
95.04963	2.7
95.08595	1.6
96.75112	0.7
97.02872	1.7
105.07022	2.4
107.08597	2.1
109.10155	1.8
111.04465	1.1
119.08556	2.4
121.10098	1.4
125.09679	1.1
127.03851	0.9
129.05563	0.9
131.00143	0.9
133.10120	1.0
135.11674	1.5
147.11729	0.8
149.01251	1.0
149.09538	0.9
162.95851	0.8
163.11191	1.2
170.48514	0.7
193.97746	0.7
198.65297	0.8
220.99182	0.8
228.22498	0.8
229.14302	1.2
255.09021	1.6
267.09048	1.5
273.10016	1.1
276.20349	0.9
283.08542	1.8
283.15396	0.9
285.10168	1.1
301.16602	0.9
347.15005	0.9
467.18726	2.2
501.16379	1.8
565.25439	0.9
581.28271	0.9
583.24353	1.2
594.37146	1.0
809.37256	100.0
810.37463	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	809.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
61.02919	6.9
64.22441	0.6
67.05497	3.9
69.03410	3.4
69.07077	2.2
71.04995	2.0
73.02915	4.7
79.05473	5.0
81.03401	4.3
81.07049	7.4
83.04990	1.9
83.08622	1.9
85.02903	5.2
88.29268	0.7
91.03944	3.7
91.05475	4.0
91.99664	0.7
93.07040	4.4
95.04981	1.4
95.08615	2.4
97.02885	4.5
97.06538	1.2
97.10147	1.3
98.23427	1.8
99.04465	2.0
99.08061	0.8
101.02389	2.9
103.03928	0.7
105.07043	2.3
107.04993	1.4
107.08627	1.9
109.06539	2.6
109.10181	1.5
111.04427	1.3
115.03979	0.8
117.07052	1.6
119.08609	1.4
121.06609	0.7
121.10159	2.9
123.08116	0.8
124.03442	0.7
125.09570	0.8
127.03953	2.2
129.05504	2.1
129.07018	0.9
131.08582	1.5
133.10199	1.4
135.11726	0.8
145.04982	1.0
145.10173	1.9
147.08109	0.9
147.11754	1.1
149.09625	1.5
151.32005	0.7
153.12738	0.8
157.04839	0.7
163.11201	1.5
181.04771	0.7
185.04178	4.1
185.11731	0.7
193.12234	1.5
199.05859	0.7
201.03784	2.3
203.05223	1.2
229.14494	1.4
241.06940	0.7
243.08388	5.0
249.11169	1.3
266.79520	0.6
283.15353	2.1
291.15738	0.8
301.08929	8.3
314.13098	0.7
315.10617	2.2
327.10522	1.8
331.18878	3.1
337.16116	0.8
347.14743	1.5
355.13568	1.1
357.15219	0.8
365.15866	1.9
369.15540	1.9
373.11053	4.9
385.18292	6.5
387.12485	1.0
387.21771	1.1
403.24905	1.1
429.17432	2.9
439.19571	2.7
439.26813	0.7
441.17786	0.9
455.19168	1.6
457.20334	2.1
467.18793	8.9
469.20428	1.2
470.21298	1.5
497.20090	2.7
498.20731	2.0
501.22885	7.4
511.21558	1.0
539.21252	3.2
549.26526	5.5
567.24396	1.0
581.29291	10.7
582.29932	1.6
594.37860	0.8
609.28943	1.0
610.29858	1.1
647.37885	0.8
651.30011	3.3
693.31030	0.8
704.78088	0.8
791.37988	1.8
809.41266	100.0
810.41418	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	809.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
61.02911	4.5
67.05503	4.2
69.03424	3.7
69.07063	2.3
70.93477	1.0
73.02923	3.4
79.05486	3.3
81.03425	2.7
81.07053	5.8
83.04964	2.0
83.08610	1.3
85.02892	5.3
85.34138	0.7
91.03945	2.3
91.05467	3.2
91.05981	0.9
93.07026	3.9
95.04969	2.5
95.08630	1.5
97.02894	3.8
97.06525	1.4
97.10182	1.3
99.00855	1.2
101.02370	1.1
105.03358	1.2
105.07034	2.5
107.08599	3.2
109.02891	1.6
109.06466	1.1
111.04437	1.1
117.07059	1.6
119.08611	3.0
121.10175	1.1
123.08080	1.9
125.09649	0.9
127.03894	2.2
129.06979	0.9
131.08643	1.3
133.10132	3.1
135.08090	1.2
144.46518	0.8
145.10136	1.4
147.08055	1.0
151.11179	1.0
153.12781	0.9
161.09613	1.8
163.11221	1.2
185.04288	1.5
189.11253	0.9
193.12213	0.8
211.08522	0.8
243.08401	2.6
301.09094	1.3
335.09497	1.4
349.19833	2.5
451.19904	0.9
483.18311	8.8
567.27777	5.6
809.39050	100.0
810.39081	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	809.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.4
59.04998	0.7
61.02918	6.2
67.05492	5.0
69.03418	3.6
69.07050	2.9
69.71851	0.8
71.04995	2.0
73.02908	3.8
79.05486	6.4
81.03399	4.4
81.07046	7.8
83.04990	2.2
83.08623	2.4
84.01878	0.6
85.02895	6.5
85.06554	0.8
87.04462	1.2
91.03921	3.4
91.05463	4.6
93.07012	5.0
94.07330	0.6
95.01081	0.7
95.04962	2.1
95.08595	1.4
97.02890	5.6
97.06531	1.5
97.10176	0.9
99.04466	1.6
101.02395	2.3
105.03399	1.0
105.07025	3.6
107.04951	1.2
107.08586	3.4
109.02864	0.7
109.06480	2.5
109.10159	1.8
111.04436	1.6
111.08080	1.3
115.03935	0.6
117.05483	0.8
117.07051	1.5
119.08549	3.2
121.06493	1.1
121.10136	3.0
123.08065	1.2
125.09653	0.7
127.03907	2.5
129.05501	1.4
129.07002	1.4
131.08594	1.5
133.10175	1.5
135.08058	0.5
135.11749	2.0
143.08557	0.7
145.10178	2.3
147.08101	1.5
147.11679	1.1
149.09654	2.1
153.12776	0.7
157.10170	0.6
163.11165	2.6
175.11148	0.9
185.04182	4.1
188.76208	0.5
193.12248	0.8
201.03790	1.8
209.11725	0.7
227.12836	0.5
243.08362	5.8
249.11037	1.7
265.14316	0.7
267.15802	0.8
275.20078	0.8
283.15210	2.5
291.15665	0.7
301.08908	9.6
301.12329	0.7
313.09073	0.7
315.10574	2.7
319.15280	0.8
327.10629	1.6
331.18979	1.7
337.16318	0.7
339.18143	0.6
341.11960	0.6
347.14908	0.9
355.09885	0.6
355.13782	0.8
365.15741	1.1
366.79648	0.5
369.15347	1.3
371.17068	1.7
373.10876	6.3
385.18195	5.9
386.18875	0.6
387.12762	1.2
387.21741	0.8
393.14926	0.8
401.14594	0.7
403.24744	0.8
411.20172	0.9
415.15851	0.8
429.17236	2.9
431.23828	0.8
439.19565	1.8
443.19110	1.0
455.19092	1.7
457.20566	2.3
467.18774	10.0
469.20761	0.9
470.21252	1.5
497.19724	3.0
498.20746	1.6
501.22961	8.4
511.21201	1.1
513.27051	0.9
539.20288	2.7
549.26611	5.4
553.26147	0.7
554.30609	1.0
581.29297	9.6
582.29803	1.5
583.29901	1.0
609.28485	0.8
651.29840	3.5
679.33972	0.6
723.32141	0.8
791.37805	1.8
792.37762	0.6
809.41199	100.0
810.41309	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	810.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	12.8
57.07060	2.1
61.02918	2.7
65.03930	3.6
67.05494	35.6
68.05791	1.4
69.03412	6.9
69.07058	20.8
71.01345	2.3
71.04976	5.7
73.02919	2.6
76.85241	1.3
79.05476	25.8
81.03406	100.0
81.07044	35.1
83.04971	10.8
83.08609	11.4
85.02892	6.8
85.06519	2.1
87.04400	1.5
89.05998	3.0
91.05468	37.9
92.13112	1.3
93.07028	26.7
95.04961	17.0
95.08596	13.3
97.02868	12.2
97.06506	9.6
97.10155	7.1
99.04463	1.4
99.08049	1.8
105.03379	1.5
105.04475	2.2
105.07012	13.2
107.04924	9.4
107.08578	17.1
109.02853	2.6
109.06499	11.3
109.10136	18.3
111.04425	3.9
111.08059	4.8
115.05449	2.0
116.04687	4.0
117.07014	9.7
119.04960	1.8
119.08561	30.2
120.05672	2.5
121.06498	13.4
121.10107	7.9
123.04430	5.1
123.08073	7.2
125.09625	9.8
127.03934	1.8
127.11158	1.7
128.06195	1.4
129.05473	8.7
129.06984	5.1
131.08540	8.4
133.06474	4.5
133.10120	8.7
135.08044	12.7
135.11702	5.9
137.05989	1.4
137.09584	28.3
139.67374	1.3
143.07059	3.1
143.08583	3.6
145.06508	2.5
145.10117	4.8
146.16386	1.3
147.08008	13.0
147.11624	3.3
149.09592	4.0
149.13287	1.5
151.07568	2.6
151.11171	2.1
153.09085	4.8
155.10689	2.3
157.08586	5.8
157.10124	3.5
159.08014	2.5
159.11705	2.8
161.09641	5.3
163.07506	6.2
163.11151	4.8
165.09094	23.1
171.10228	2.8
171.11662	2.2
173.09612	2.7
173.11717	5.8
175.11101	3.9
177.12753	2.2
179.10625	1.9
181.08492	1.4
181.12154	1.6
187.11125	1.8
189.09241	2.4
189.11172	3.4
189.12714	2.0
191.10657	5.5
193.12209	5.8
195.10199	1.9
199.09642	3.4
201.11087	1.6
207.10118	3.7
207.13826	1.3
221.11732	3.9
223.13152	1.6
227.12714	7.5
229.14313	8.1
239.12737	66.6
240.13100	2.2
253.14285	2.9
255.12135	1.4
265.89621	1.2
267.15863	4.8
271.15262	1.8
273.18506	9.0
283.15350	3.0
289.17960	3.1
291.19528	5.5
293.13846	2.2
301.18042	1.6
313.16718	1.5
331.19046	1.3
347.22134	4.6
365.23215	6.1
381.22723	3.5
391.21143	2.1
393.22647	6.1
399.23822	12.1
405.22412	1.7
415.24673	2.0
419.24414	1.5
423.23483	1.5
433.25757	4.1
437.26678	2.1
451.26837	4.2
511.30362	3.7
527.30127	3.0
529.31543	23.2
541.70282	1.3
545.30627	3.2
561.34814	1.5
563.32092	70.6
564.32111	4.3
595.35052	1.8
602.26605	2.7
654.16443	1.5
810.39154	17.1
811.40613	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	810.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03174	0.8
57.03429	11.0
57.07067	2.7
59.04988	0.9
61.02917	3.4
65.03928	2.9
66.04702	0.5
67.05495	55.9
69.03413	4.4
69.07058	24.5
69.65273	1.2
71.04980	4.1
71.08621	0.8
73.02901	0.7
77.03880	1.2
79.05481	64.4
80.05811	1.0
81.03412	6.6
81.07044	59.6
82.07384	0.8
83.04974	7.1
83.08607	12.2
85.02881	4.5
85.06516	3.4
87.04461	0.8
89.06010	0.7
91.03939	1.0
91.05466	39.0
93.07031	58.3
94.07339	0.7
95.04958	15.3
95.08593	30.3
96.04474	0.5
97.02870	4.5
97.06512	6.5
97.10149	11.1
98.22742	0.5
99.00803	2.9
99.04450	1.4
99.08081	2.7
103.05482	1.4
103.77932	0.5
105.04510	3.5
105.07015	22.1
107.04951	7.5
107.08578	27.7
108.08912	0.6
109.02862	4.5
109.06506	7.0
109.10143	14.3
111.04431	3.7
111.08076	3.6
111.14187	0.5
113.06000	0.8
113.09648	0.6
115.03880	0.8
115.05437	1.7
116.06223	0.6
117.07001	12.0
119.04943	1.1
119.06120	0.5
119.08566	18.4
119.09410	1.0
121.02874	1.0
121.06474	5.5
121.10129	23.5
121.20621	0.5
123.04436	2.5
123.08057	3.6
123.11687	4.3
125.09616	8.0
127.07507	0.5
128.06219	1.3
129.05501	0.9
129.07002	3.5
130.07744	0.8
131.08549	14.1
133.06480	2.2
133.10110	19.9
135.04395	1.0
135.08037	11.7
135.11671	18.9
137.05949	0.7
137.09602	5.5
137.13274	0.9
139.07527	1.3
139.11157	1.1
141.06955	1.0
142.07776	0.5
143.08528	3.8
145.06485	3.5
145.10100	10.6
147.08020	3.0
147.11652	6.4
149.06001	0.9
149.09578	3.8
149.13237	6.7
151.11163	2.3
153.09068	1.7
153.12747	1.8
155.08527	1.7
157.10120	2.2
159.08034	3.9
159.11658	7.9
161.09596	4.8
161.13213	2.4
163.07498	6.5
163.11163	4.0
163.14737	0.7
165.09082	0.9
165.12674	0.8
167.08527	0.6
169.10107	0.9
171.08029	1.3
171.10243	1.2
171.11684	2.4
173.09598	2.1
173.13229	6.0
175.11147	1.4
175.14850	0.8
177.09059	0.9
177.12762	1.8
179.10646	2.2
181.12192	1.2
183.11632	1.1
184.07361	3.0
185.09497	0.7
187.11098	0.7
187.14807	1.5
189.09135	1.5
189.11188	5.2
189.12659	0.9
189.16389	0.7
191.10640	1.7
193.12218	10.8
197.13348	0.9
201.12692	0.9
205.19568	1.4
211.13107	0.9
211.14856	0.9
213.16318	1.0
215.17909	16.8
216.18248	0.8
217.19328	0.7
219.17371	0.6
225.11111	1.2
225.16219	0.9
227.12695	5.9
227.17921	0.8
231.17451	1.2
233.18967	15.7
243.17468	2.2
245.13779	0.8
245.18907	1.0
253.15771	0.7
261.18463	2.2
263.20044	0.6
271.16949	4.9
271.19772	0.8
273.18451	0.8
283.15372	2.4
289.17960	15.6
289.21445	1.4
290.18262	0.5
291.19534	1.2
307.19281	5.0
307.22610	100.0
308.23026	4.1
363.21603	7.3
365.23328	0.7
369.27719	1.5
381.22659	64.0
382.22968	2.6
485.33228	0.7
487.33743	1.4
503.34613	0.9
515.33521	3.1
521.36188	1.1
539.37134	0.8
595.39886	9.3
613.40881	62.8
614.41473	5.0
631.40704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.499
Annotation	Pitipeptolide B
Peak:m/z	Relative Intensity
57.03410	3.0
57.62187	0.8
60.34467	1.0
61.02927	5.1
67.05497	12.6
68.05012	3.3
69.03415	3.2
69.07056	3.6
69.10728	2.4
69.11134	3.4
70.06585	100.0
71.04983	2.5
71.06924	1.1
72.08160	1.0
73.02905	3.6
77.07005	0.8
79.05484	11.5
80.05001	1.0
81.03389	2.3
81.07043	13.7
82.06584	1.9
83.04970	2.5
83.08604	2.7
84.08148	1.2
85.02901	3.9
87.04421	0.9
91.03925	2.0
91.05477	6.3
93.07028	11.1
95.04947	3.3
95.08593	9.2
96.08121	13.2
97.02884	3.0
97.06502	1.7
98.09647	1.8
98.23476	1.9
101.02331	1.1
103.37058	1.0
105.07016	3.4
107.04941	1.7
107.08572	5.8
109.10117	4.5
111.04413	3.2
111.08045	1.5
117.06998	2.2
118.65790	0.8
119.08553	3.4
121.06503	1.4
121.10110	6.3
123.08022	1.8
124.07576	1.0
126.09106	1.1
127.03827	1.1
131.08560	2.3
133.10080	1.5
135.11703	4.8
140.07024	1.6
142.08633	7.1
145.10121	3.3
149.09540	1.4
153.12749	1.1
159.11647	1.0
163.11137	4.8
173.09470	0.9
176.99477	0.8
181.12239	1.4
191.10619	1.7
227.12714	2.4
227.75319	0.8
234.14873	1.1
236.16397	6.0
254.17458	8.5
275.20053	0.9
278.17416	1.2
283.15454	1.1
296.18469	7.8
310.20087	1.6
314.19614	10.9
328.21188	4.6
335.25726	3.8
365.30481	0.9
370.22083	4.9
388.23193	17.2
588.42560	6.2
595.30139	0.9
630.43475	6.4
648.44556	92.9
649.44427	7.0
707.39069	1.8
792.49097	5.8
810.50110	57.4
811.51361	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	811.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
66.61977	0.3
69.03419	27.2
69.88165	0.6
70.06564	0.3
71.01292	0.4
71.04980	0.8
73.02905	8.1
79.05456	0.3
81.03405	0.6
81.07050	0.5
83.04981	0.7
85.02893	14.3
87.04449	0.3
90.32600	0.3
94.59027	0.3
97.02879	87.3
98.03200	0.9
99.04437	0.3
107.08649	0.3
109.02850	0.6
111.00761	0.4
111.04406	0.7
115.03913	50.8
121.02872	1.3
125.86650	0.3
127.03903	2.9
129.05452	0.6
139.03790	0.4
145.04922	0.7
147.06432	0.4
153.01828	1.3
157.04939	100.0
158.05247	1.6
165.01830	0.9
177.05484	0.5
187.06148	0.3
213.05435	0.6
217.07040	4.7
231.06523	0.3
241.04831	0.3
276.40231	0.3
287.05453	47.9
288.05768	1.2
294.12369	0.4
299.05417	0.4
365.06317	0.3
429.37549	0.3
433.11322	1.9
503.11914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
67.05540	0.3
69.03420	23.8
69.88721	1.0
70.06570	0.9
71.04963	1.0
73.02907	7.5
80.16764	0.3
81.03396	0.5
83.04962	1.0
85.02894	11.6
85.03409	0.6
95.08588	0.5
97.02879	75.6
98.03192	0.4
109.02843	0.5
111.04447	0.6
115.03914	46.7
116.04258	0.4
121.02856	1.2
127.03888	2.4
129.05473	0.9
142.16916	0.3
145.04916	0.7
145.82077	0.3
147.04362	0.4
152.02657	0.3
153.01817	1.3
156.42177	0.3
157.04941	100.0
158.05264	1.7
165.01813	0.4
177.05467	0.4
213.05446	0.6
213.56070	0.3
217.07063	5.6
241.04932	0.3
244.26007	0.3
258.05356	0.3
287.05463	41.8
288.05798	1.3
299.05527	0.4
325.14191	0.5
338.12744	0.3
433.11209	1.3
437.11002	0.4
475.47348	0.3
513.58795	0.3
537.15356	0.4
614.31451	0.3
621.87671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.9
61.13713	0.3
62.91319	0.3
64.11512	0.3
69.03419	23.2
69.25492	1.6
70.06586	4.8
71.04988	0.7
72.08132	0.4
73.02901	4.0
78.76728	0.3
79.05492	0.5
81.03397	1.9
83.04975	0.5
85.02890	10.6
86.09702	0.7
87.04440	0.4
87.55591	0.3
91.05465	0.4
91.47323	0.3
97.02877	100.0
98.03218	1.1
98.22684	0.7
99.04432	1.1
103.03938	0.5
109.02858	2.7
112.07601	2.2
114.09105	0.4
115.03910	30.6
121.02840	1.4
123.04367	0.3
127.03011	0.6
127.03900	9.0
129.05464	0.3
137.06003	0.7
139.03873	12.5
140.07016	1.0
142.08717	0.3
145.02864	0.4
145.04921	0.8
147.04375	0.5
153.01764	0.8
155.08130	0.5
157.04938	59.3
158.05280	0.8
158.08041	0.5
165.01797	0.4
169.04906	0.4
175.06003	1.0
177.05420	0.8
185.16505	0.4
187.05992	1.4
199.06004	2.0
206.04372	0.3
217.07048	5.7
229.06990	1.8
284.11725	0.3
287.05450	36.1
288.05658	0.8
294.12448	0.5
299.05496	0.4
303.04922	0.9
310.11917	0.5
325.14349	0.7
326.14807	0.4
329.06506	0.8
342.16953	0.3
418.16937	0.3
433.11166	0.6
449.10736	6.0
486.25366	1.0
503.11456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3633
Annotation	RA IX
Peak:m/z	Relative Intensity
57.03429	2.9
61.02919	6.6
67.05499	4.2
69.03415	4.7
69.07059	1.6
70.06586	3.4
70.15134	0.9
71.01351	0.7
71.04981	1.7
73.02901	5.2
73.67092	0.3
79.05485	5.1
81.03409	3.9
81.05806	0.5
81.07044	7.3
81.73329	0.4
83.01335	0.5
83.04967	1.6
83.08598	1.8
84.43674	0.4
85.02897	6.4
85.33639	0.4
91.03936	3.2
91.05476	5.5
93.07032	4.6
94.06587	0.5
95.04945	2.0
95.08585	2.8
96.08117	18.2
97.02880	5.5
97.06516	0.9
97.08459	1.7
97.10125	0.7
98.22739	0.5
99.04459	1.5
101.02364	2.8
105.07031	3.3
107.04939	1.8
107.08585	2.3
108.09055	0.3
109.02892	0.9
109.06527	1.2
109.10143	1.4
110.78696	0.4
111.04424	1.2
115.03934	0.6
117.07029	1.7
119.08566	2.5
120.59093	0.4
121.06493	1.0
121.10098	2.7
123.08050	2.8
125.09627	0.6
127.03915	1.5
129.06964	1.1
131.08554	1.7
133.10144	0.9
135.08086	0.9
135.11647	1.9
143.08487	0.5
145.10132	2.9
147.08069	1.3
147.11732	0.5
149.09621	1.1
157.10181	0.7
161.09578	0.5
162.14673	0.4
163.11165	3.1
181.12170	0.5
185.04289	0.8
203.05272	0.5
209.11748	0.4
227.12798	0.4
237.35828	0.4
243.08389	3.8
249.10907	0.9
250.18205	0.5
254.17535	0.6
272.07568	0.5
273.18384	0.6
283.15405	1.5
284.15665	0.5
291.19449	0.6
315.03699	0.4
331.18701	2.7
351.84875	0.5
367.16608	0.7
387.21384	0.9
467.18842	9.6
549.26703	3.1
585.24188	4.2
631.43689	0.4
649.45135	0.5
699.35504	0.7
748.33966	0.4
775.38995	2.5
793.49182	0.8
810.49933	0.8
811.36078	100.0
812.36481	7.7
812.49792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.3
61.02921	7.7
67.05489	8.1
68.05811	0.7
69.03419	5.0
69.07043	2.8
69.25183	4.2
70.06583	1.5
71.04971	2.7
73.02899	5.9
79.05473	5.9
81.03403	6.9
81.07047	9.4
83.04954	2.1
83.08591	2.9
85.02895	9.8
87.43744	0.6
91.03942	4.0
91.05461	7.2
91.54051	0.7
93.07048	6.4
94.57755	0.7
95.04951	4.8
95.08570	4.6
96.08109	8.8
97.02856	6.5
97.06498	0.8
99.04427	1.2
101.02361	3.2
105.07027	5.3
107.04913	1.8
107.08587	3.4
109.02844	1.6
109.06453	1.0
109.10125	4.6
111.08054	1.1
117.06998	1.3
119.08567	4.3
121.06513	1.2
121.10132	1.7
123.08038	1.7
127.03896	1.8
129.07005	0.9
131.08527	3.1
133.06366	0.7
133.10112	3.3
135.08043	1.8
135.11671	1.5
137.09566	1.0
145.10081	1.6
147.08035	0.8
147.11647	1.8
149.09563	1.6
155.58096	0.8
157.10088	1.7
159.08025	0.8
163.11154	1.4
171.11713	0.9
175.11154	1.4
193.12103	1.2
211.13248	1.1
217.35631	0.7
239.60243	0.8
243.08392	4.5
254.37497	0.7
262.30051	0.8
262.32678	0.8
287.18506	1.0
291.19394	0.8
307.15536	0.9
341.55551	0.7
469.20340	10.3
472.48114	0.8
501.22659	1.9
538.30054	1.2
547.24878	1.2
555.30670	0.8
556.31024	1.2
564.31232	1.1
583.23096	3.5
707.39618	4.8
725.36859	1.4
784.72766	1.0
810.42743	1.1
811.35736	100.0
812.36383	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	811.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.6
57.03425	0.8
60.79904	0.4
61.02920	1.1
64.76269	0.4
67.05488	1.6
69.07038	0.6
71.44053	0.6
73.02911	0.8
75.09270	0.5
79.05489	1.5
81.03421	0.7
81.07052	1.4
83.04873	0.4
85.02895	1.8
91.03965	0.7
91.05447	0.7
93.07028	1.1
97.02895	1.1
99.68098	0.5
105.03400	0.7
105.07007	0.7
107.08585	0.7
127.03964	0.7
131.00143	0.8
131.08583	0.6
133.10086	0.9
149.01173	0.6
149.09668	0.5
243.08661	0.8
255.09024	0.7
267.09045	3.5
285.10010	2.3
293.05240	0.6
309.10486	0.8
347.15253	1.3
365.16357	1.6
443.19125	0.7
469.20450	1.4
485.16803	3.3
487.21561	1.2
565.25476	1.4
583.24652	1.4
811.39020	100.0
812.39276	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	811.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
57.07050	1.8
61.02927	4.4
62.35290	1.4
67.05497	4.2
69.03434	3.1
70.06573	2.0
71.43221	1.5
73.02911	4.2
76.57404	1.4
79.05486	2.8
81.03424	4.7
81.07060	6.3
83.08639	2.8
85.02901	6.2
91.03949	4.4
91.05479	2.9
93.07058	4.3
95.05013	2.4
97.02908	6.0
97.10188	1.6
105.03400	1.9
107.08550	1.8
117.05546	2.6
119.08597	2.7
127.03927	4.3
127.11194	1.8
129.05493	3.7
133.10095	2.1
183.39713	1.5
185.04260	6.6
199.05702	2.2
201.03630	3.4
243.08302	7.3
251.12582	2.6
258.80017	1.5
277.14124	3.3
301.08893	20.0
313.08829	1.7
315.10608	5.9
327.10645	1.7
341.12012	2.3
343.10309	2.2
349.19794	4.4
357.15176	1.7
371.16827	2.2
373.11057	5.9
383.16977	4.0
385.18292	11.4
443.18918	4.1
466.76880	1.6
469.20422	11.0
485.20132	6.5
493.24026	1.9
499.21255	3.4
511.21332	1.8
528.21954	4.8
541.22559	4.1
555.24274	1.6
557.22314	2.4
557.54517	1.6
567.26758	6.9
569.27667	1.6
583.30762	1.9
612.31165	1.7
639.29498	4.5
641.30542	3.4
653.31543	3.6
667.32990	2.8
709.37122	3.0
721.38049	3.4
751.38190	2.2
793.38843	4.1
811.40881	100.0
812.40582	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	811.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.3
61.02920	3.4
65.92564	0.6
67.05502	4.3
69.03415	2.7
69.07055	3.2
70.06548	0.6
71.01321	0.5
71.04981	0.9
73.02898	3.4
79.05484	5.0
81.03397	3.2
81.07048	5.8
83.04983	1.6
83.08614	0.9
85.02886	4.7
85.74244	0.7
91.03956	2.5
91.05460	3.9
93.07035	3.7
95.04955	1.9
95.08613	1.3
97.02860	4.2
97.06550	1.3
97.10209	0.8
99.04432	0.7
101.02372	1.6
105.07033	1.9
107.04948	1.6
107.08594	3.3
109.02863	1.0
109.06510	0.8
109.10162	1.7
111.04477	2.1
117.07034	2.0
119.08556	1.7
121.10146	2.5
123.08072	1.8
125.09642	1.4
127.03881	1.5
129.06961	0.8
131.08563	1.8
133.06442	0.8
133.24942	0.8
135.08046	0.7
135.11691	2.1
137.09613	0.7
145.06480	0.7
145.10129	2.6
147.08032	1.1
149.09610	1.1
153.12749	0.8
163.11180	3.1
173.09599	1.2
181.12248	1.2
189.11214	0.8
191.10658	1.0
201.11249	0.9
203.05228	0.8
243.08420	2.3
257.12488	1.0
267.11844	1.3
267.16010	0.9
273.18347	0.8
285.11868	1.0
291.19571	1.4
301.08896	0.8
349.19724	1.9
376.44998	0.6
485.19742	12.1
557.21735	0.9
567.27625	4.8
649.35999	0.8
742.40039	0.8
811.40662	100.0
812.40948	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	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.5
59.05000	1.2
61.02919	4.9
67.05506	3.6
69.03416	2.7
69.07064	1.1
69.67471	1.1
71.04998	1.8
73.02906	3.2
79.05486	5.0
81.03410	5.1
81.07040	4.2
83.04982	1.3
83.08630	2.5
85.02885	4.7
86.85568	0.5
87.04483	0.7
87.36314	0.5
91.03937	3.0
91.05469	4.6
92.94686	0.5
93.07029	3.0
95.04964	2.7
95.08611	2.0
97.02888	3.9
99.04424	1.4
101.02381	1.2
105.03411	0.7
105.07027	3.7
107.04967	0.8
107.08602	2.3
109.02910	0.7
109.06503	0.7
109.10140	0.6
111.04464	1.0
117.07019	0.8
119.08603	2.3
121.10152	2.4
127.03920	1.2
129.06981	1.0
131.08566	2.6
133.06480	0.7
133.10167	2.1
135.11685	1.0
145.10127	0.9
147.11694	1.3
149.09621	2.9
157.10115	1.6
159.41689	0.6
163.11230	1.6
175.11183	0.9
193.12305	1.5
203.05251	0.8
225.14766	0.7
243.08397	3.7
267.15884	0.7
275.20175	1.0
283.15121	2.9
333.20517	2.2
339.17874	1.6
465.02167	0.7
501.23047	13.9
502.23419	0.7
551.28217	9.4
811.44409	100.0
812.44843	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	811.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.0
59.04998	1.4
61.02917	4.8
67.05497	8.7
69.03429	4.9
69.07069	3.2
69.61731	2.8
71.01345	0.9
71.05006	3.0
73.02930	3.0
73.26186	0.7
76.46095	0.7
79.05481	5.8
81.03411	6.8
81.07047	10.0
81.07484	0.8
82.07391	0.7
83.04993	1.7
83.08623	2.7
85.02901	6.3
91.03939	3.9
91.05461	7.7
92.05853	0.8
93.07030	6.2
95.04941	4.1
95.08582	4.2
97.02870	4.3
97.06551	1.3
98.23463	1.4
99.04471	1.5
101.02409	2.2
105.06999	5.4
107.04984	1.9
107.08602	2.6
109.02872	1.2
109.06541	1.2
109.10180	2.0
109.68880	0.8
111.08097	1.1
117.07041	1.4
119.08553	4.6
120.08939	1.0
121.10124	3.9
123.08084	1.1
123.11656	0.9
125.09620	1.1
127.03969	1.4
129.05516	0.9
129.06993	2.5
131.08591	2.8
133.10170	2.3
137.09644	1.0
142.07793	1.1
145.10181	1.6
147.11708	2.1
149.09669	2.5
157.10172	2.0
165.12755	0.9
166.46039	0.7
175.11269	2.1
193.12250	4.2
194.12669	1.0
211.13316	3.6
212.13748	1.4
225.14847	1.3
240.14983	0.7
243.08334	5.0
267.16013	2.9
273.18414	0.9
274.18887	1.0
283.15244	3.2
285.16919	1.6
286.17487	0.7
291.19635	1.1
292.19980	0.7
329.25281	0.7
333.20285	3.6
339.17963	1.7
369.16040	0.7
389.23492	0.8
404.21408	0.9
423.20245	0.8
441.21085	0.8
469.20416	1.9
495.72263	0.8
501.22998	19.1
551.28125	7.3
578.31372	1.5
596.32428	2.5
614.33319	1.4
811.44403	100.0
812.44891	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	812.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	0.5
65.03933	4.2
69.03431	1.4
70.06573	0.5
71.44372	0.3
74.06066	0.7
75.04462	0.7
79.05482	0.3
79.35927	0.2
81.03381	0.4
82.06577	0.4
85.02882	0.7
91.05460	1.0
92.08056	0.3
93.03406	0.3
94.06585	1.2
95.04930	0.6
97.02867	1.1
103.05418	0.2
105.07001	0.4
107.04934	0.3
108.08112	0.9
109.02866	0.5
109.06499	0.4
111.04433	3.2
115.05404	0.4
117.06991	0.5
119.04922	0.5
120.08134	0.4
121.02854	100.0
121.03860	3.3
122.03169	0.9
124.07606	0.3
126.09142	0.2
127.03908	0.7
128.06143	0.3
129.06996	1.1
131.04904	0.4
132.08070	0.5
133.02747	0.3
133.06526	0.4
134.09644	0.3
136.07500	0.5
137.02364	1.2
137.05931	0.4
138.09109	0.9
139.03877	0.6
141.06926	0.3
144.08044	0.6
145.02785	0.3
145.06459	0.7
145.08788	0.2
146.09628	0.8
147.04405	0.9
149.05957	0.4
150.09157	0.5
153.05481	0.3
155.08554	0.3
157.06429	0.4
158.09564	0.4
159.08081	0.3
160.07506	1.2
161.06093	0.3
162.09145	0.6
163.00662	0.3
163.04094	0.3
163.07521	0.2
164.10690	0.3
165.06944	0.5
165.09224	0.3
166.07695	0.4
167.08626	0.5
170.09605	0.7
172.33421	0.3
176.07080	0.3
176.10687	0.5
176.55504	0.2
177.05443	0.8
177.06908	0.3
178.07806	0.8
179.08514	0.8
181.10114	0.3
183.08022	0.5
186.09142	0.6
188.10748	0.5
191.08565	0.7
192.09232	0.3
193.10078	0.6
195.08081	0.3
197.06046	0.3
198.09247	0.3
202.07806	0.4
205.10141	0.5
207.08060	0.8
208.08951	0.4
211.07515	0.4
218.07275	0.2
219.08165	0.4
220.13380	0.4
221.09612	1.3
222.11235	0.8
223.11269	0.3
224.10544	0.5
225.09131	0.4
231.07896	0.3
233.09538	0.7
235.07515	0.6
237.09058	0.5
238.12170	0.4
239.10617	0.4
248.10609	0.3
249.09126	1.0
250.12343	0.3
253.08696	0.5
256.13339	0.2
261.09253	0.5
263.10751	0.3
266.11862	0.3
267.10141	0.4
268.13367	0.4
277.08667	0.3
278.11810	0.3
281.11899	0.4
282.03516	0.3
292.13419	0.4
296.12762	0.3
298.14337	0.3
309.10938	0.4
310.14514	0.4
317.87201	0.3
320.12448	0.2
324.15811	0.3
330.17316	0.3
338.13889	0.3
342.16876	0.5
352.15659	0.3
356.18597	0.4
360.18167	0.3
370.16415	2.9
374.19626	0.5
402.19305	0.8
434.21469	0.3
452.22693	0.4
462.20056	0.3
494.22046	0.4
508.19858	0.3
512.23157	0.4
522.21216	1.4
530.23956	0.5
540.22241	0.8
554.23669	0.9
572.24646	0.7
582.23035	0.3
590.25861	1.2
614.26117	0.4
650.27875	0.8
684.26721	0.5
692.29645	0.3
716.28998	0.5
734.30402	0.6
752.31122	2.6
776.30981	0.4
812.33228	56.8
813.33368	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	812.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	15.8
57.07066	5.3
65.03924	2.5
67.05495	78.2
69.03423	4.8
69.07058	35.4
71.04989	6.1
71.83180	1.9
79.05034	4.9
79.05484	82.9
81.03406	11.0
81.07046	100.0
83.04967	9.7
83.08617	15.8
85.02898	6.2
85.06528	4.9
86.09700	5.4
91.05468	54.0
93.07027	76.2
95.04954	19.8
95.08595	48.0
97.06516	12.8
97.10143	6.4
99.08068	2.7
104.27814	2.2
105.04504	4.9
105.07019	40.9
107.04948	15.6
107.07915	3.4
107.08585	38.6
109.06499	16.7
109.10148	25.4
111.08099	2.7
115.05475	3.4
117.07030	18.1
119.08569	33.4
121.06499	6.1
121.10129	30.3
123.08034	14.0
123.11687	8.4
124.99979	5.1
125.06003	2.5
125.09639	11.7
129.06969	8.7
131.08548	26.0
133.06433	3.3
133.10118	28.4
135.08051	13.6
135.11671	14.0
137.09601	8.7
141.06990	2.4
143.06982	5.7
143.08560	9.5
145.10103	16.5
147.08017	9.6
147.11661	10.4
149.09579	10.4
149.13243	3.9
151.11154	3.8
153.09076	10.3
155.08563	3.3
157.10103	9.7
159.07985	2.9
159.11696	9.4
161.09621	10.9
161.13170	4.1
163.11150	8.5
165.09076	6.1
169.10094	2.4
171.11693	5.7
173.09645	3.7
173.13246	8.1
173.62450	2.1
175.11172	4.9
177.12720	3.1
184.07275	14.3
185.13185	3.6
189.12692	3.1
199.14825	6.3
201.16347	2.9
215.17862	7.2
217.15891	7.1
233.19041	6.7
245.15379	13.4
255.17380	3.0
263.16388	13.1
263.19983	2.4
273.18518	17.6
281.17081	2.6
285.17020	6.2
291.19464	14.7
307.19104	4.4
307.22638	75.9
308.23068	3.5
319.19156	4.2
335.25723	29.5
337.20117	6.6
347.22018	8.2
355.21100	9.3
365.23160	18.7
383.24094	9.1
499.33768	3.2
517.35083	9.8
525.49139	2.4
569.41766	3.1
579.40082	6.7
597.41461	32.5
615.42377	26.8
733.01324	2.7
822.42169	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	812.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	16.8
57.07053	3.1
61.02915	5.1
65.03918	3.8
67.05491	75.8
69.03410	5.7
69.06702	3.3
69.07057	46.6
69.28245	1.8
69.28557	9.5
71.04980	4.1
73.06545	3.8
79.05477	80.1
81.03404	12.9
81.07043	100.0
83.04949	8.5
83.08596	10.1
85.02888	7.0
85.06570	2.2
86.09679	2.5
91.03926	1.8
91.05465	51.2
93.07027	69.7
95.04953	17.3
95.08590	49.6
97.02840	2.3
97.06526	16.1
97.10152	4.5
99.04464	2.2
99.08064	3.1
105.04509	4.6
105.07009	33.4
107.04936	9.6
107.08576	39.3
109.06501	19.5
109.10146	19.7
111.04466	3.7
111.08069	3.1
115.05412	2.0
115.07571	2.0
117.06991	13.6
118.06483	1.6
119.08547	35.6
121.06496	7.0
121.10109	23.2
123.08049	22.8
123.11678	3.3
125.05963	6.6
125.09625	19.7
128.06216	2.3
129.06981	9.9
131.08546	19.5
133.06474	3.0
133.10117	17.5
135.08020	13.2
135.11685	14.3
137.09604	11.7
139.11179	2.2
143.07008	12.2
143.08533	6.9
145.06505	2.4
145.10069	11.2
147.08028	12.6
147.11662	10.2
149.09589	10.7
149.13226	5.3
151.07539	1.7
151.11191	4.1
153.09094	21.1
155.08484	2.6
157.10046	9.8
159.08090	2.8
159.11653	8.3
161.08115	4.0
161.09621	9.4
161.13269	4.1
163.11198	8.3
163.14833	3.0
165.09135	15.4
171.10277	2.0
171.11717	5.5
173.13171	4.5
175.11086	3.7
177.08983	2.2
181.08565	6.4
184.07350	5.7
185.13208	2.6
187.14905	1.8
189.16423	2.2
199.09616	7.1
199.14807	10.0
201.16429	4.0
203.14256	2.0
213.16328	2.7
215.17902	3.5
217.15880	17.8
219.17424	2.0
227.14394	2.4
229.14247	2.9
233.18718	1.7
243.21205	3.2
245.15327	36.5
247.17029	2.9
255.12210	3.2
261.22086	5.1
263.16409	29.0
273.18454	5.5
279.63412	1.8
281.17502	5.9
285.16785	2.7
291.19528	6.1
307.22620	26.0
308.22818	2.3
317.24686	2.5
319.18912	5.5
335.25723	68.7
336.26001	3.5
337.20050	24.8
347.22055	4.0
355.21133	22.1
365.23138	6.9
383.24390	2.4
453.35883	2.1
487.33994	2.8
517.35199	3.7
579.39911	4.4
597.41364	31.9
615.42273	33.9
683.04187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03173	1.0
57.03430	13.9
57.07052	2.1
61.02906	2.2
65.03933	3.9
67.05494	60.5
69.03432	3.7
69.03738	0.7
69.07054	20.3
71.04970	5.2
71.08620	0.8
73.02892	0.9
77.03919	2.1
79.05482	75.4
81.03410	7.2
81.07045	85.9
83.04969	12.4
83.08610	13.6
85.02879	3.2
85.06535	2.8
91.05468	41.1
91.06055	1.6
92.05782	1.0
93.07031	65.4
95.04953	20.0
95.08591	33.5
95.09200	1.5
95.94472	0.7
96.08904	0.9
97.02870	2.2
97.06530	7.6
97.10155	19.8
99.04455	1.4
99.08091	5.3
103.05446	1.5
105.04498	3.3
105.07018	31.1
107.04939	8.5
107.08581	27.7
109.06499	10.4
109.10143	17.5
111.04427	10.1
111.08060	6.1
115.05427	2.2
115.91888	0.8
117.06999	15.0
119.04905	1.4
119.08563	27.1
121.06475	6.6
121.10128	27.5
123.08044	18.7
123.11726	4.1
125.09622	14.3
128.06219	1.8
129.05490	1.5
129.06996	6.7
130.07785	1.0
131.04898	1.0
131.08542	16.9
131.36580	0.7
133.06476	2.4
133.10109	18.4
135.08018	7.2
135.11665	16.5
135.12630	1.3
137.09583	5.3
137.13240	0.7
139.07451	0.7
139.11156	1.7
142.07709	1.2
143.08546	7.6
145.06432	1.3
145.10106	17.8
147.08051	7.9
147.11664	11.2
149.09569	7.2
149.13226	4.9
151.11151	2.4
153.09055	2.5
153.12711	3.7
155.08507	2.5
157.10080	5.5
159.08025	0.9
159.11682	8.2
161.09605	6.2
161.13229	3.3
163.11151	12.6
163.14809	0.8
165.09085	3.8
165.12733	1.3
169.10103	2.1
171.10234	1.2
171.11650	4.9
173.09595	3.0
173.13246	4.7
175.11153	3.3
175.14833	1.4
177.12715	2.0
181.10077	1.1
181.12195	5.1
183.11684	1.3
185.09561	1.3
185.13274	2.6
187.11124	1.1
187.14804	2.0
189.11198	12.2
189.12756	1.6
191.10667	3.2
193.12244	2.6
195.11641	1.5
199.11115	0.9
199.14795	1.3
203.14252	1.0
203.17850	1.0
209.11636	1.5
211.14859	0.8
213.12733	0.8
213.16353	2.7
215.17937	8.1
223.13113	3.5
227.12746	10.6
227.17909	1.4
228.89589	0.9
231.17360	3.7
233.18944	8.7
237.16412	1.3
245.18929	3.8
249.14555	1.1
249.18594	1.5
255.17424	2.4
263.19949	1.4
273.18463	21.3
274.18863	1.0
275.20102	2.9
283.15329	3.1
291.19492	53.8
292.19849	1.8
293.21231	1.5
305.21152	1.9
307.22626	100.0
308.22971	3.1
309.20526	7.1
323.22107	3.2
347.22180	7.1
349.23761	2.0
365.23172	31.4
366.23730	1.3
367.24802	2.2
383.24222	14.8
477.31918	1.8
523.36908	0.8
533.34473	1.5
569.42450	1.6
579.40131	3.6
597.41370	38.9
598.41693	2.3
615.42462	32.8
616.43292	1.3
790.28937	0.8
813.43481	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.358
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	1.2
72.04516	1.5
73.02895	0.5
74.06070	1.0
76.79242	0.6
77.03923	2.4
79.05494	0.9
81.05784	0.5
81.07046	1.0
84.08101	0.5
86.06047	2.8
88.07647	0.7
91.05459	1.0
93.07021	0.6
94.06581	2.1
95.04958	15.4
96.08121	2.6
105.03380	66.4
105.04404	5.7
105.07039	1.4
106.03700	0.7
108.08090	1.3
110.06033	0.8
115.05441	1.0
117.07024	0.9
118.06555	0.6
118.23624	0.6
119.04941	0.9
119.08548	0.7
120.08098	1.1
122.06030	0.7
124.07527	1.1
127.52279	0.5
129.07011	1.3
131.07272	1.1
132.08089	0.8
133.06483	0.6
136.07538	0.6
138.09129	1.5
141.07005	0.7
143.08575	1.2
144.08072	2.9
145.08897	0.6
146.09663	1.7
147.06883	0.7
147.07991	0.5
148.07558	1.3
149.05998	2.5
153.06912	0.6
156.14326	0.6
157.08842	8.9
158.09668	2.7
160.07576	4.4
170.09560	1.0
172.07594	4.2
173.08331	8.4
174.09129	7.1
175.09937	2.3
176.10722	1.0
179.95084	0.6
181.08908	0.7
182.09680	0.9
184.07509	0.6
184.11215	0.7
186.09172	0.7
188.10721	1.0
193.10144	1.0
194.59457	0.5
198.09116	1.9
202.07773	1.2
203.08522	0.7
204.09225	1.2
205.10136	1.4
206.11649	0.6
211.10141	0.6
212.10670	0.7
215.08661	1.1
216.09451	2.1
217.10229	1.1
218.11636	0.9
219.08060	0.9
219.11742	2.2
221.13185	0.6
224.10667	1.0
229.10110	1.3
231.11758	1.3
232.08897	0.9
233.09705	0.8
233.13393	0.7
236.10670	0.7
239.09091	0.6
241.10110	1.2
244.08867	0.7
244.11298	0.7
246.12701	1.2
247.11191	0.9
248.10616	1.2
249.12910	1.2
250.12070	0.6
256.11060	0.6
257.11987	1.2
258.12875	0.8
259.11176	1.4
259.13696	0.8
262.12021	0.9
262.16132	0.6
264.13974	0.7
272.14310	1.9
273.11569	1.0
273.14960	0.7
274.12323	1.5
275.13095	0.9
276.13815	1.2
278.11737	0.6
278.15457	0.6
288.13782	3.4
289.14526	1.0
290.15335	5.0
300.13785	6.6
302.12177	0.8
302.15506	2.3
306.14960	1.7
308.16260	0.8
311.15533	0.6
313.17041	1.4
316.13318	0.7
318.14780	7.3
318.18109	0.6
320.16403	1.1
329.16492	0.7
331.18161	1.6
336.15839	2.2
343.18054	1.6
360.15860	2.3
361.19241	2.9
362.17194	0.7
373.19217	0.8
421.21326	0.8
422.17590	1.2
468.24844	0.7
482.19687	1.3
486.22684	0.9
525.24158	0.7
545.24219	0.9
571.76764	0.7
590.27356	0.8
632.28455	8.6
633.29169	0.8
691.32239	1.7
694.30011	2.5
754.31970	3.5
813.35651	100.0
814.36029	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	813.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.7
61.02914	7.3
62.18356	0.6
67.05502	5.0
69.03419	5.1
69.07059	2.7
71.04961	0.9
73.02901	4.4
79.05474	5.7
81.03407	6.2
81.07039	7.8
82.07395	0.6
83.04949	2.1
83.08575	1.9
85.02889	6.5
86.69709	0.5
89.24490	0.5
91.03940	3.1
91.05461	5.5
93.07026	5.0
95.04939	3.7
95.05429	0.6
95.08585	2.2
97.02888	6.4
97.06489	1.0
97.10130	1.4
98.22668	1.3
99.04422	0.7
99.17274	0.6
101.02336	1.9
105.07007	4.0
107.04913	1.2
107.08550	2.1
109.02856	1.3
109.06489	1.2
109.10132	1.5
111.04415	1.1
111.08047	0.8
113.05932	0.5
117.07000	1.4
119.08580	3.2
121.06435	0.6
121.10094	2.2
123.08018	1.9
126.14410	0.6
127.03889	1.5
129.05405	0.8
129.06938	1.8
131.08504	2.4
132.08734	0.7
133.10060	2.1
135.11607	1.0
137.09544	0.9
143.08563	0.7
145.10107	1.6
147.07933	1.0
147.11638	1.2
149.09561	1.8
149.51726	0.6
157.10054	1.4
161.09508	0.6
163.11118	0.8
175.11116	1.4
185.04289	0.8
193.12206	1.8
211.13356	0.7
243.08411	3.5
251.12436	0.6
273.18320	0.8
283.15118	0.6
300.35748	0.6
331.18677	1.9
333.20108	0.7
387.21060	1.1
460.01611	0.6
469.20444	9.0
501.22131	0.8
502.22968	1.7
531.67590	0.6
549.26544	4.9
585.24292	4.6
777.38776	1.7
812.44342	3.9
813.37030	100.0
814.37708	9.0
845.83813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.7
61.02922	5.0
67.05490	3.6
69.03414	3.9
69.07064	2.7
70.06625	0.8
71.04990	1.4
71.44584	0.8
73.02917	3.7
79.05482	4.3
80.20061	0.9
81.03394	3.6
81.07043	5.0
83.04968	1.9
83.08615	2.0
85.02879	4.5
85.06566	1.0
87.04455	0.8
89.06004	0.8
91.03951	2.9
91.05466	3.6
93.06995	3.9
95.04967	1.7
95.08596	1.9
96.08981	0.8
97.02898	3.9
97.06559	0.9
97.10179	1.2
99.04465	1.3
101.02384	1.9
103.26373	0.7
105.03444	1.0
105.07026	2.8
107.04949	0.9
107.08585	2.6
111.04410	0.7
111.08150	0.8
115.03957	0.8
117.07024	0.8
118.89137	0.6
119.08601	2.4
121.09330	0.7
121.10148	2.6
123.08063	1.6
125.09652	1.3
127.03902	2.0
128.00616	0.6
129.07002	1.0
131.08574	1.9
135.11729	0.8
139.11139	1.4
142.71490	0.8
147.11639	1.2
149.09634	1.9
157.10210	1.4
185.04176	0.8
193.12231	1.6
203.05270	1.0
241.06932	0.7
243.08313	4.4
251.12556	1.6
269.13608	1.0
301.09097	1.6
313.08804	1.2
315.10489	0.8
349.19757	3.7
358.73181	0.7
373.11081	1.1
403.67688	0.8
443.18774	5.9
469.20633	2.1
487.21530	6.6
567.27637	8.1
769.39691	1.3
813.42236	100.0
814.42859	8.5
814.57440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	25.2
57.07086	2.8
60.08152	3.2
61.02928	3.4
65.03931	3.6
66.24919	2.8
67.05495	88.8
67.30284	3.6
68.05835	4.8
69.03408	8.3
69.07055	26.1
70.06569	8.0
71.04984	5.5
71.43766	3.0
73.02901	3.6
79.05481	90.2
79.05943	4.8
80.05802	5.3
81.03410	9.6
81.07045	100.0
82.07372	6.6
83.04973	10.1
83.08612	19.6
85.02885	6.1
85.06530	6.8
87.23208	2.8
91.03921	2.5
91.05464	61.2
92.05833	5.7
93.07028	78.4
94.07361	4.0
95.04949	25.6
95.08599	63.2
96.08943	3.2
97.02878	4.5
97.06501	10.3
97.10170	11.0
99.08081	7.5
100.80321	2.8
105.07016	38.1
106.07370	3.2
107.04926	12.8
107.08585	33.3
108.08901	3.6
109.06498	17.4
109.10143	31.7
111.08044	6.8
117.07010	20.8
119.08557	29.1
121.06490	5.8
121.10123	38.1
122.10497	3.7
123.08042	12.1
123.11697	6.8
124.08437	3.2
125.09626	6.6
126.10063	2.5
129.06990	11.6
131.08522	24.0
133.06458	3.4
133.10100	20.9
134.62856	2.6
135.08015	9.9
135.11674	21.0
137.09590	8.3
139.11163	3.0
143.08562	9.7
145.10106	21.9
147.08081	5.1
147.11665	12.4
149.09610	15.2
149.13287	7.1
151.11172	5.1
155.08540	4.4
157.10106	9.0
159.11707	10.5
161.09637	6.5
161.13239	10.6
163.11217	10.4
163.14789	4.1
171.05014	2.6
171.11676	8.8
173.09576	2.7
173.11700	2.9
173.13248	8.6
175.11183	8.4
183.11732	4.7
187.14787	4.7
189.11165	5.7
191.14267	4.3
201.16435	5.1
211.14778	3.0
213.16455	3.6
215.17996	3.5
227.12674	4.5
229.15884	13.8
239.12897	3.7
241.14261	18.9
243.21132	3.0
247.16916	18.2
261.22195	6.9
265.17856	6.4
273.18558	3.3
275.19983	2.9
281.17493	15.3
291.19504	9.1
292.19806	8.6
293.20316	2.8
307.22556	21.3
307.53293	2.9
308.22989	13.5
309.23199	6.3
321.20596	19.0
335.25714	74.3
335.29526	5.2
339.21640	15.0
366.23547	4.0
385.69635	3.0
405.15176	2.8
501.35709	25.0
541.38879	31.9
542.38818	3.7
581.42120	26.5
598.42218	3.5
599.42737	28.3
600.44202	3.0
616.42737	3.9
617.42938	10.3
652.47717	4.1
695.16119	3.6
782.50940	5.4
814.43512	11.5
815.44867	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	814.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	16.4
57.07057	3.2
61.02909	5.4
65.03925	5.4
67.05494	90.0
69.03407	5.5
69.07057	23.3
71.04977	5.1
79.05480	73.4
80.05827	2.3
80.17773	1.7
81.03407	3.9
81.07040	75.1
83.04958	4.4
83.08598	15.1
85.02876	4.2
85.06520	2.4
91.04929	3.6
91.05469	48.3
92.05791	4.5
93.07031	71.8
94.07365	2.9
95.04964	12.5
95.08586	43.4
97.02859	2.9
97.06506	6.6
97.10147	5.3
99.08073	2.8
105.04465	2.5
105.07016	28.9
107.04943	4.4
107.08570	32.6
109.06509	7.5
109.10140	35.5
111.08043	5.1
115.38804	2.2
117.07010	11.7
119.08574	20.5
121.06488	3.3
121.10126	36.4
123.08069	5.3
123.11688	5.6
125.09584	5.6
129.07014	4.7
131.08543	19.0
133.10118	22.1
135.08034	4.6
135.11655	17.7
137.09576	4.1
139.11081	1.8
143.08603	3.2
145.10104	15.9
147.11697	13.8
149.09639	9.0
149.13254	10.5
151.11186	3.1
157.10133	2.3
159.11682	9.9
161.13292	3.3
163.11156	6.2
169.10054	3.7
171.11642	4.7
173.11716	5.0
173.13235	7.1
177.12651	2.5
184.07350	2.7
185.13271	2.6
189.11180	3.0
189.16290	2.0
195.13803	2.8
215.17885	13.6
227.12715	2.7
229.14275	23.9
231.17615	3.2
232.17674	2.3
233.18953	13.6
257.18732	2.6
269.17371	14.6
275.20007	22.6
277.20764	2.3
293.21072	2.9
305.20984	2.4
307.22620	100.0
308.23071	3.4
349.23715	15.4
367.24881	9.3
432.69214	2.2
461.32623	14.3
501.35614	44.2
502.35797	6.5
519.79309	2.2
541.38971	12.6
581.41730	26.1
582.42169	2.7
599.43115	14.1
650.56628	2.1
814.44073	25.4
815.45337	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	25.5
64.16481	3.3
65.03912	7.6
67.05494	88.7
68.05835	3.7
69.03408	10.3
69.07061	30.7
69.42690	13.2
70.06585	4.6
71.04967	9.1
73.02893	5.0
79.05477	94.0
80.05814	8.1
81.03413	14.9
81.07045	100.0
82.07335	5.0
83.04971	10.5
83.08613	20.5
85.02889	7.6
85.06527	3.7
91.05466	58.5
93.07030	97.4
94.07350	3.7
95.04953	27.6
95.08588	72.8
97.06520	9.8
97.10150	7.7
98.22603	3.3
99.08081	7.9
105.04496	3.4
105.07021	41.8
107.04927	9.0
107.08588	41.4
109.06499	11.7
109.10133	27.3
111.04379	5.1
111.08053	6.8
115.05470	3.8
117.07006	17.4
117.52384	3.4
119.08575	40.4
121.10122	43.1
122.45608	3.7
123.08030	13.9
123.11684	3.7
125.09626	8.3
129.06975	13.1
131.08545	36.5
133.06490	7.1
133.10100	25.6
135.08044	11.5
135.11662	16.8
137.09613	12.6
141.06970	3.3
142.07614	3.5
143.08545	5.9
145.10103	24.0
147.11674	11.1
149.09570	13.5
149.13228	6.8
151.11162	5.4
157.10071	9.8
159.11667	12.6
161.09618	8.3
161.13237	4.6
163.11169	7.9
167.10640	7.6
171.11632	6.1
173.13243	13.5
175.11201	7.5
175.14914	4.6
183.11685	5.3
185.13196	4.4
187.14691	3.5
191.14214	3.9
201.16396	6.6
215.18001	4.9
229.15877	9.4
241.14262	24.6
247.16879	18.3
261.22076	13.2
265.17880	7.4
266.73764	3.4
281.17484	14.6
291.19348	5.5
292.19922	4.0
307.22632	19.0
308.23114	5.1
321.20578	24.5
335.25735	76.9
339.21756	18.6
365.23212	4.0
403.52249	3.5
501.35901	30.2
523.24902	3.7
535.31409	3.7
541.38684	30.9
581.42047	29.6
599.43121	27.0
617.42438	6.9
652.47729	7.0
782.50159	5.8
814.43085	14.2
815.45441	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
58.26802	0.1
61.02919	0.8
68.99797	0.3
69.03059	0.2
69.03422	3.0
71.01353	0.1
71.04984	0.6
71.44406	0.1
71.45805	0.1
73.02900	1.1
79.05453	0.1
81.03407	3.8
83.01336	0.1
85.02895	5.7
87.04475	0.2
89.43740	0.1
89.99011	0.1
90.79108	0.1
97.02881	15.8
99.04456	0.9
103.03920	0.1
105.03358	0.2
107.04930	0.2
109.02171	0.2
109.02867	2.2
111.00786	0.4
111.04416	0.2
115.03929	0.2
121.02851	2.1
122.18523	0.1
127.03897	5.0
133.02843	0.3
133.04965	0.4
135.84589	0.1
137.02330	0.6
145.04942	1.1
145.06403	0.2
147.04408	0.5
153.01802	2.5
157.06477	0.1
161.05972	0.1
162.34116	0.1
165.01802	1.4
177.05530	0.2
183.02898	0.7
185.05995	0.4
187.05989	5.2
188.06297	0.1
197.05916	0.1
203.07103	0.2
205.07092	1.2
213.05420	0.9
231.06448	0.5
241.04938	0.8
258.05215	0.9
259.05997	0.4
269.04605	0.2
286.04788	0.3
287.05453	100.0
288.05786	3.1
289.09070	0.1
303.04929	0.2
315.05023	0.3
329.06528	0.4
395.07544	0.2
449.10739	14.1
450.10889	0.6
473.10648	0.1
477.10141	0.1
491.11990	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	815.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.8
61.02915	1.8
68.99782	0.4
69.03418	4.0
71.04966	0.4
73.02909	0.9
74.78960	0.1
81.03410	3.1
82.05724	0.1
85.02892	15.5
97.02878	7.9
99.04434	0.6
105.03349	0.3
107.04969	0.2
109.02171	0.2
109.02866	2.6
111.00809	0.4
115.03915	0.2
121.02853	2.5
127.03892	5.5
130.10864	0.2
133.02849	0.5
133.04947	0.3
137.02306	0.7
138.30870	0.2
145.04938	2.4
145.06149	0.2
145.06540	0.2
147.04387	0.4
153.01782	2.8
153.02896	0.3
157.06413	0.2
165.01865	1.4
165.78641	0.2
175.14832	0.2
180.96785	0.1
183.02826	0.7
185.05959	0.3
187.06007	2.0
197.05807	0.2
203.06964	0.3
205.07043	3.0
206.41499	0.2
213.05434	1.0
220.05338	0.2
231.06459	0.6
232.10391	0.2
241.04857	0.8
258.05212	1.1
259.05933	0.3
287.05441	100.0
288.05737	3.1
299.05453	0.5
303.04895	0.3
329.06436	0.2
353.06363	0.4
365.06287	0.3
395.07492	0.3
413.08502	0.2
435.80447	0.2
449.10721	12.4
450.10828	0.3
491.11688	0.4
686.10205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2229
Annotation	Veronicoside A
Peak:m/z	Relative Intensity
57.03426	2.4
61.02917	3.7
61.15074	0.2
68.99794	0.4
69.03419	7.8
69.19284	0.5
69.19684	1.7
71.01357	0.4
71.04990	1.9
73.02903	1.2
76.42115	0.3
81.03404	11.6
83.01332	1.2
83.05003	0.3
84.75380	0.3
85.02890	100.0
86.03220	0.9
97.02876	68.8
98.03207	0.5
99.04435	5.9
101.02380	0.8
109.02861	24.8
111.00780	0.4
115.03870	0.5
119.04938	0.5
121.02855	1.3
127.03893	28.1
128.04253	0.4
129.05467	0.3
137.02299	0.9
139.02977	0.3
139.03856	1.7
145.02779	0.4
145.04933	7.7
147.04382	0.3
153.01746	2.0
165.01791	1.0
169.04890	3.7
175.03957	0.5
177.05460	0.7
183.02856	0.7
185.05908	0.3
187.05981	25.3
188.06313	0.4
200.43300	0.4
201.05519	0.4
205.07036	49.8
206.07330	0.7
213.05479	0.3
228.36002	0.3
229.04944	0.9
231.06435	0.4
241.05051	0.7
251.83385	0.3
257.04446	0.5
287.05447	49.6
288.05728	2.0
303.04932	24.5
304.05231	0.6
316.05789	0.3
317.06671	0.5
449.10690	5.3
465.10083	0.3
491.11380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.223
Annotation	Faratroside
Peak:m/z	Relative Intensity
57.03429	1.5
61.02917	3.2
68.99780	0.3
69.03419	39.7
69.94784	0.6
70.03752	0.5
71.01328	0.4
71.04977	2.8
73.02895	0.4
81.03405	16.0
83.01326	2.3
83.04971	2.1
85.02893	39.8
87.04459	0.3
95.04998	0.3
97.02879	38.6
98.03204	0.5
99.04440	12.0
101.02367	0.3
109.02862	100.0
110.03201	1.0
111.00793	0.6
111.04418	0.9
115.03932	1.2
121.02817	0.7
121.06453	0.3
123.04434	0.4
127.03896	56.0
128.04222	0.4
129.05479	1.1
135.04376	0.3
137.02332	2.6
139.02823	0.2
139.03871	6.4
145.04936	15.1
147.06502	0.4
153.01807	2.2
163.03899	0.6
165.01778	1.2
169.04939	11.1
177.05426	0.6
183.02837	0.6
184.40703	0.2
187.05986	15.1
201.05461	0.9
205.07042	23.6
229.04900	3.0
233.11603	0.3
238.08733	0.2
247.06006	0.6
251.12535	0.4
257.04373	1.7
274.04645	0.5
285.03928	0.9
287.05396	0.6
303.04935	80.0
304.05237	2.5
305.37070	0.2
345.06088	0.3
373.58344	0.3
402.47211	0.2
449.10712	2.8
460.08054	0.2
507.11670	0.3
551.34308	0.2
592.62878	0.2
627.56085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.3
59.48859	1.0
61.02913	6.6
67.05500	4.2
69.03416	3.7
69.07042	1.3
70.55238	1.2
71.04987	2.6
73.02904	5.0
77.89398	1.1
79.05486	3.0
81.03407	9.5
81.07059	2.1
85.02895	7.4
91.03950	4.9
91.05484	5.0
93.07042	2.8
95.04955	2.5
95.08623	3.2
96.08152	1.5
97.02877	7.3
97.06476	1.1
99.04418	1.6
101.02372	1.7
103.03931	1.1
105.03409	1.9
105.07014	1.7
109.02851	1.2
109.10136	1.9
111.08071	1.3
115.03939	1.2
119.08564	5.6
121.06509	1.3
123.08099	1.5
125.09628	1.4
127.03918	2.7
129.05484	2.4
135.08014	1.3
137.09578	2.8
147.08051	1.7
161.04601	1.3
165.09164	3.4
179.10495	1.2
185.04262	4.2
216.95987	1.0
223.09634	1.7
228.77629	1.1
237.10977	1.5
241.06825	1.5
243.08357	6.2
255.11935	5.1
281.13620	8.7
295.15308	1.7
301.08871	17.4
315.10370	5.8
339.14276	1.1
341.12033	2.5
343.13657	1.6
353.15619	5.1
353.22330	1.3
357.15292	1.3
371.16632	7.0
373.11142	3.7
385.18240	12.4
387.12787	1.4
399.16296	7.5
411.16422	1.9
413.17975	2.9
415.15540	2.2
425.17993	1.6
429.17496	1.4
437.24722	1.8
441.17111	9.0
471.18323	5.7
473.20087	25.3
473.26126	2.0
474.20279	1.8
483.25897	2.8
485.19684	1.6
488.18677	1.5
501.19144	26.0
502.19431	1.5
515.21222	1.4
517.18848	1.7
545.21906	15.9
555.27679	2.8
559.23438	2.3
573.25073	7.1
585.28693	7.9
587.26837	3.1
615.29773	3.0
641.54932	1.2
657.30804	7.0
711.35425	1.9
797.39410	3.8
815.40515	100.0
816.40430	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	815.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.3
61.02920	6.2
65.03934	0.4
67.05497	5.5
67.05854	0.3
69.03420	4.0
69.07068	1.5
69.70036	0.5
69.70400	0.4
71.01347	0.6
71.05000	0.9
73.02533	0.4
73.02909	4.8
79.05482	6.7
81.03407	1.9
81.07046	5.7
81.07494	0.4
83.04986	0.7
83.08600	1.2
85.02893	6.2
91.03944	2.9
91.05470	3.5
93.07030	5.6
95.04950	1.8
95.08594	3.1
97.02878	5.3
97.06531	0.4
97.10159	0.7
98.22697	0.3
99.04463	0.8
99.08064	0.3
101.02370	1.9
102.41035	0.2
103.03922	0.4
105.04543	0.4
105.07018	1.9
107.04980	0.4
107.08573	2.4
109.02881	0.9
109.06510	0.5
109.10132	1.4
115.03935	0.4
117.07017	1.3
119.08552	1.9
121.06494	0.3
121.10126	2.0
123.08041	0.3
123.11722	0.4
125.09675	0.5
127.03918	1.3
129.06975	0.3
131.08597	1.0
133.10101	1.2
135.08078	0.7
135.11668	0.7
145.10138	0.7
147.11742	0.3
159.11725	0.4
161.13283	0.3
173.13330	0.3
179.62230	0.2
185.04260	0.8
201.03717	0.3
222.27643	0.2
243.08321	3.3
301.09024	0.4
307.22690	0.7
308.06027	0.2
309.24258	0.3
315.10651	0.3
347.18216	1.5
373.10809	0.3
439.19260	0.6
462.29205	0.3
491.26120	11.5
492.26520	0.6
563.27911	0.5
565.25989	2.2
619.34027	0.4
689.39264	0.5
706.34729	0.3
815.45343	100.0
816.45715	9.9
816.57788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.448
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05538	1.5
69.07082	1.0
69.58414	1.0
69.61558	2.1
69.61948	2.5
72.64336	1.1
78.66315	1.1
81.07066	2.0
91.05527	1.5
93.07061	1.8
100.32212	1.2
105.07029	1.3
257.25586	1.2
507.24026	1.8
514.57581	1.0
595.74005	1.2
786.35254	1.4
817.44928	100.0
818.45374	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	817.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78552	1.8
56.97014	1.7
61.71222	1.7
75.17447	1.8
110.14947	2.0
115.93359	1.6
191.56291	1.9
299.90570	2.4
340.72925	2.0
495.07495	2.1
727.65765	1.8
817.44916	100.0
818.45081	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	817.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.8
61.02917	7.7
65.03934	0.5
67.05495	5.7
69.03423	4.9
69.07061	1.7
69.26189	1.4
71.01340	0.7
71.04976	0.6
73.02908	4.8
73.03288	0.4
75.04436	0.2
79.05484	6.5
80.07040	0.2
81.03414	2.2
81.07046	6.3
81.07494	0.4
83.04962	0.6
83.08616	0.8
85.02900	6.4
85.06541	0.3
87.04459	0.4
91.03943	4.0
91.05466	3.5
93.07036	5.8
95.04959	1.7
95.08598	3.4
97.02888	6.3
97.03484	0.4
97.06541	0.5
97.10172	0.9
97.19106	0.2
99.04435	1.1
99.08090	0.4
101.02373	2.2
103.03934	0.4
105.04546	0.5
105.07011	2.1
105.07528	0.2
107.04950	0.5
107.08579	2.1
109.02869	0.8
109.06499	0.6
109.10156	1.6
111.04473	0.6
111.08092	0.3
115.03931	0.4
117.07026	0.7
119.08568	1.2
121.06516	0.3
121.10133	2.3
123.08047	0.9
123.11704	0.3
125.09624	0.8
127.03921	1.5
129.07018	0.3
131.08536	1.6
133.10155	0.9
135.08046	0.3
135.11728	0.9
137.09669	0.3
145.04993	0.4
145.10078	1.1
147.11751	0.4
149.09570	0.4
159.11713	0.4
163.11223	0.4
185.04201	1.2
189.11115	0.2
199.16496	0.2
203.05257	0.4
204.22128	0.2
215.18057	0.3
241.06898	0.3
243.08366	3.0
264.92810	0.2
279.12064	0.3
301.08969	0.9
307.22775	0.9
313.09280	0.2
315.10461	0.6
349.19778	2.9
373.11111	0.7
385.18423	0.3
389.23764	0.3
451.19147	0.4
469.28256	0.3
491.26138	9.2
492.26974	0.3
507.25922	0.6
563.28241	0.8
567.27515	2.6
599.37207	0.2
633.37000	0.3
762.91711	0.2
817.46930	100.0
818.47296	7.8
818.61957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	18.4
58.06863	1.7
67.05500	1.6
68.66811	0.8
69.03423	1.8
69.07079	1.3
70.06586	2.2
71.04992	1.7
75.04480	3.7
77.03909	2.1
79.05498	2.8
80.05016	1.0
81.03441	1.4
81.07047	2.6
84.08140	1.3
85.02885	4.5
87.04445	1.2
88.07635	1.1
91.05473	4.9
93.07054	2.7
94.06582	1.2
95.04957	18.6
95.05526	1.7
95.08619	3.3
96.08145	1.4
97.02886	2.5
97.06525	1.9
98.09709	1.4
99.04447	1.2
102.09203	1.6
103.05466	1.5
105.03379	100.0
105.04527	6.9
105.07013	5.0
106.03761	1.2
106.06644	1.1
107.04952	1.1
107.08617	3.4
108.08125	2.8
109.02864	2.5
109.06528	1.6
109.10150	2.2
110.53992	0.8
111.08093	2.2
112.07571	1.1
115.03915	0.8
115.05491	2.1
116.06231	0.9
117.07040	2.9
119.04946	2.0
119.08572	1.7
121.06536	2.0
121.08807	1.0
122.09696	4.8
123.08146	1.0
126.69346	1.0
127.03917	3.5
128.06215	1.8
129.06996	5.5
131.05006	1.2
131.08556	2.1
133.02844	1.1
133.05086	1.2
133.06538	1.5
133.10178	2.3
134.09680	1.4
135.08046	2.2
137.05994	2.4
140.07050	1.0
141.06982	0.9
145.02838	1.1
145.06502	3.1
145.10138	1.3
146.06081	1.4
146.09651	2.0
147.04391	4.9
147.08060	1.4
149.05969	2.0
150.09090	1.1
152.10684	5.6
153.07043	1.5
154.12277	1.0
157.06491	1.9
158.09660	2.8
159.08101	2.1
160.11264	3.4
162.09161	1.8
163.11224	1.1
165.07028	2.3
167.08603	2.2
172.11208	2.2
174.09105	5.7
175.03975	1.4
175.07648	1.0
176.10686	1.6
177.05486	5.0
178.07799	2.8
179.07193	1.3
179.08510	5.2
181.06490	1.5
181.10313	1.1
184.11185	2.0
190.07658	1.0
191.08646	3.3
191.14339	1.8
192.09381	2.0
193.10178	2.6
195.08109	1.3
197.09711	1.7
200.10727	1.1
202.07896	1.2
202.12273	2.2
203.08659	2.9
204.09363	1.0
205.10214	3.1
205.12314	1.2
207.06418	2.6
207.08113	6.0
208.08794	1.2
209.09691	1.7
209.15366	1.0
219.08124	2.5
221.09619	3.2
223.07657	1.4
223.11125	1.4
231.08073	2.3
233.09657	2.5
233.11806	1.6
234.14929	1.5
235.07593	3.9
235.11273	1.6
237.09096	2.5
239.10829	1.6
249.09230	4.1
250.12263	1.1
259.07513	1.2
263.10681	2.6
264.14041	1.4
267.10196	3.8
268.13553	1.3
277.08569	2.3
279.10165	2.1
281.11694	1.3
287.05496	2.0
288.05908	1.4
294.12341	1.3
306.14832	1.7
338.17557	1.8
366.17120	1.2
370.20279	4.1
402.22934	1.9
426.19217	2.0
430.22342	2.0
462.24924	1.5
492.23865	3.4
520.23059	1.4
552.26080	4.0
584.28394	5.5
612.27875	1.7
644.30566	39.6
645.30786	2.4
726.28772	1.8
774.33228	6.0
818.32135	80.9
819.32544	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	819.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02681	0.4
57.03431	2.4
61.02922	6.4
67.05499	6.9
69.03417	3.4
69.07061	2.4
70.69351	0.5
71.01369	0.7
71.04993	0.7
73.02908	4.1
79.05487	7.3
81.03409	2.2
81.07051	7.4
81.07494	0.6
83.04990	1.0
83.08637	1.0
85.02902	4.8
87.04504	0.4
90.04602	0.4
93.07030	5.5
93.07500	0.4
95.04987	1.2
95.08591	3.6
97.02892	5.2
97.06543	0.7
97.10171	1.0
99.04469	1.2
101.02396	1.7
103.03990	0.6
105.07027	2.5
107.04981	0.7
107.08573	2.6
109.02911	1.0
109.06535	1.0
109.10127	2.0
115.04043	0.4
117.07021	0.8
119.08564	2.0
121.06522	0.7
121.10130	2.4
123.08078	0.5
123.11775	0.5
125.09630	0.6
126.42818	0.4
127.03927	1.7
131.08598	1.4
133.10190	1.5
135.08131	0.7
135.11716	1.0
137.09604	0.6
143.08670	0.5
145.06435	0.4
145.10156	1.2
147.05772	0.4
147.11710	1.1
149.09665	0.8
149.13225	0.6
159.11743	0.7
176.88197	0.4
185.04323	0.6
189.11203	0.5
203.05440	0.5
229.08385	0.5
237.64931	0.4
243.08398	2.6
273.18488	0.6
275.20129	0.6
291.19604	0.6
307.22769	1.0
347.96405	0.4
351.21375	2.9
470.61871	0.4
491.26184	7.6
508.26062	0.5
569.29199	3.6
621.42383	0.7
818.47626	0.8
819.48450	100.0
820.48901	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	820.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.1
59.04979	1.6
59.75264	1.3
61.02920	2.1
65.03945	3.0
67.05161	1.4
67.05492	36.3
69.03417	6.6
69.07058	27.9
69.49802	5.8
71.05011	3.7
73.02904	1.9
77.03928	2.0
79.05035	3.0
79.05482	41.3
81.03407	97.6
81.07045	52.5
83.04969	18.7
83.08609	31.4
83.32265	1.7
85.02891	2.5
85.06532	2.4
91.05464	37.7
93.07030	30.6
95.04954	35.6
95.08592	12.5
96.05379	1.6
97.02883	5.1
97.06519	6.4
97.10156	20.4
98.22739	2.1
99.00831	2.3
99.04504	1.6
99.08086	2.2
103.05426	2.0
105.03378	3.4
105.07011	27.9
107.04945	18.4
107.08580	23.2
109.02876	5.6
109.06509	12.7
109.10158	10.7
111.04409	9.6
111.08041	13.1
113.02451	1.7
115.05447	2.7
117.07012	9.2
117.07729	1.5
117.42945	1.5
118.75721	1.7
119.04898	1.6
119.08558	27.8
121.06497	11.8
121.10143	11.2
123.04433	6.5
123.08027	8.2
125.09608	18.9
129.06992	14.5
131.04941	1.6
131.08548	17.2
133.06464	6.1
133.10115	16.2
135.04376	2.3
135.08043	15.4
135.11684	6.9
137.05986	1.8
137.09624	5.5
139.07619	1.7
141.07004	2.7
142.07785	3.0
143.08560	5.6
145.06444	4.9
145.10123	10.4
147.08044	9.1
147.11659	10.2
149.09583	10.3
151.11183	4.8
153.09126	4.1
153.12723	12.8
155.08546	3.7
157.10088	13.2
159.08058	5.2
159.11687	2.6
161.09618	6.8
163.07529	6.8
163.11159	12.1
165.12828	2.6
171.08051	3.2
173.09589	3.8
175.11153	10.4
179.10680	3.6
181.12305	7.4
185.09557	2.5
185.13254	2.4
187.11124	2.2
189.09152	3.0
189.11223	9.1
191.10664	6.0
193.12219	33.7
205.12257	2.6
209.11636	3.0
211.13194	2.1
219.13821	5.0
227.12717	15.4
227.14413	1.6
243.17488	1.8
249.14859	3.6
261.18488	4.5
263.12778	4.4
267.15884	96.6
268.16251	3.6
271.16946	4.4
273.14633	1.9
273.18506	2.2
279.19437	2.2
283.15353	35.4
289.17972	13.8
291.19720	1.8
307.18982	3.5
311.20004	3.5
329.21091	5.7
347.22141	3.2
363.21664	6.6
365.22937	1.8
381.22696	32.0
383.22122	3.9
431.24255	2.4
445.26505	2.6
457.25647	3.0
459.27164	1.8
463.28345	3.1
470.57773	1.6
475.26804	45.1
476.27252	2.9
481.29245	7.2
493.27951	15.9
499.30466	7.7
516.78467	1.6
524.13464	1.5
527.33893	3.4
537.31427	3.0
555.33087	100.0
556.33203	7.2
573.34088	87.9
574.35052	7.2
591.34772	6.2
605.36584	2.7
615.34753	2.1
700.26465	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
57.07066	12.9
61.02899	2.7
67.05486	6.2
69.03408	6.3
69.07057	19.5
70.56742	1.3
70.57092	1.9
71.04989	1.0
71.08619	9.9
72.44744	0.9
73.02890	0.9
79.05481	3.5
81.03399	2.7
81.06608	1.5
81.07048	13.9
83.08607	19.4
85.02887	41.3
85.10167	9.7
91.03947	1.5
91.05466	13.0
93.07030	10.3
95.04967	2.7
95.08587	18.4
97.02871	9.5
97.06477	1.5
97.10163	9.5
99.04442	2.2
99.11749	1.0
105.07014	14.7
107.08569	8.0
109.02869	9.2
109.06473	1.4
109.10110	7.0
111.08070	6.9
111.11690	3.0
117.06972	2.7
119.08554	10.6
121.06465	1.5
121.10114	5.3
123.08025	1.0
123.11697	4.6
125.13253	1.3
125.49613	1.0
127.03891	15.2
129.06970	1.7
129.09076	2.1
131.08562	6.9
133.10100	27.7
135.08015	1.3
135.11647	6.3
137.13216	2.7
139.14789	2.5
143.08556	2.9
145.04927	20.0
145.10088	8.6
147.08075	1.4
147.11673	9.3
149.13235	3.0
155.08522	1.9
157.10074	2.4
159.11679	5.6
161.09613	1.7
161.13246	6.3
163.06004	12.3
163.11182	1.9
163.14761	1.8
169.04947	1.8
171.11665	2.6
173.09537	1.2
173.13254	3.0
175.11197	2.1
175.14793	3.8
177.09007	1.3
179.10649	4.2
183.11684	1.7
185.13231	2.8
187.11259	1.1
187.14813	2.5
189.09032	1.6
189.16457	1.7
191.10649	2.6
193.12180	16.1
197.13223	2.2
199.14798	1.9
201.16331	1.9
213.16234	1.5
215.17973	1.2
219.13753	1.2
221.15373	2.1
225.16306	1.8
235.16983	1.3
239.17876	3.0
241.19485	1.6
245.15291	1.3
271.24139	1.7
273.25717	3.8
285.18430	2.5
287.20032	3.7
313.21637	1.8
325.11273	6.4
327.22989	1.1
331.26254	2.3
333.27850	20.7
341.24551	1.1
379.33710	1.5
383.33066	1.3
397.34479	2.2
401.34222	1.6
407.32892	8.4
425.34045	29.6
426.34308	2.0
443.35132	100.0
444.35300	6.9
461.36142	14.9
462.36435	1.1
708.98315	1.0
709.11188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.3
57.07069	1.5
60.68051	1.2
67.05493	23.9
69.03419	3.3
69.07055	12.7
69.77047	2.6
79.05038	1.6
79.05479	19.5
80.50624	1.1
81.07042	30.8
82.72403	1.2
83.04966	9.7
83.08598	5.3
83.18969	1.0
86.08813	1.2
89.05980	1.8
91.05457	23.2
93.06443	1.7
93.07027	28.4
95.04942	8.9
95.08598	19.9
97.06503	5.2
97.10152	3.6
105.07014	28.2
107.04938	10.7
107.08576	20.9
109.06504	10.8
109.10136	7.6
111.08049	2.8
117.06978	10.4
119.08556	17.0
121.06484	14.7
121.10141	12.9
122.27109	1.1
123.08042	8.0
123.11700	3.7
127.03884	1.6
129.06985	4.0
130.07822	1.5
131.08539	19.2
132.10420	1.1
133.06490	2.8
133.08571	2.1
133.10100	20.0
134.07179	1.3
135.08064	6.4
135.11676	7.8
137.05910	1.5
137.09613	1.5
139.07658	1.4
141.06961	2.0
142.07761	1.7
143.08543	4.6
145.06464	3.3
145.10086	16.8
147.08023	5.6
147.11668	14.6
149.09589	9.0
149.13228	3.6
150.01242	1.3
151.11131	3.8
153.09062	1.2
155.08554	1.6
157.10121	4.8
159.08066	3.2
159.11644	10.5
161.09592	4.1
161.13226	4.4
163.11156	6.4
165.12744	1.5
169.10114	3.1
171.11656	5.2
173.09618	2.6
173.13226	5.4
175.11148	5.1
175.14795	2.0
177.12741	4.4
183.11647	2.5
185.13344	1.2
187.11150	2.6
187.14771	2.3
189.12711	1.4
191.14278	3.3
197.13261	2.8
201.12730	5.3
203.14351	1.3
207.13753	4.4
213.16374	1.7
215.14427	1.4
215.17923	3.6
219.13835	3.9
229.19496	2.5
233.15428	1.4
239.17897	4.3
247.20573	6.9
257.18958	13.4
258.37897	1.1
275.20016	100.0
276.20328	4.8
291.19449	1.2
293.21036	17.2
349.23672	79.9
350.23895	2.1
367.24860	8.8
437.24887	1.6
551.33057	1.4
567.37909	1.5
623.42938	87.3
624.43182	9.9
641.43958	50.9
642.43982	4.4
697.99121	1.4
820.47931	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	820.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.0
57.07073	1.5
61.02925	2.7
65.03938	1.0
67.05490	18.0
67.05811	1.5
67.75204	0.9
69.03423	5.8
69.07056	10.6
71.04991	2.7
73.02906	2.0
79.05484	16.1
81.03406	12.0
81.07049	23.6
83.04971	6.1
83.08620	3.9
85.02898	10.7
85.06578	1.1
91.05467	17.9
92.05775	0.9
93.07034	24.6
93.07597	1.6
95.04960	7.3
95.08582	16.8
97.02873	6.6
97.06540	3.7
97.10172	2.1
99.04466	2.8
101.02371	1.2
105.04504	1.4
105.07014	23.9
107.04932	8.1
107.05432	0.7
107.08572	12.8
107.09234	1.3
109.02879	7.9
109.06493	8.2
109.10123	7.4
111.04471	1.3
111.08090	1.3
117.06997	6.7
117.56707	0.9
119.08562	13.1
121.06483	9.1
121.10132	9.2
123.08057	6.1
123.11697	1.1
125.09760	1.0
127.03900	35.3
128.06252	1.2
129.07042	3.2
131.08542	17.2
131.09453	1.4
133.06500	4.4
133.10101	15.5
133.11008	1.2
135.08041	5.4
135.11678	5.1
137.09625	3.0
139.07669	1.0
139.11208	1.2
141.07030	1.1
143.08568	3.0
145.06535	2.3
145.10092	13.0
145.11182	1.0
146.57478	1.0
147.08063	5.6
147.11647	9.1
149.09599	6.7
149.13269	1.6
151.11185	4.4
155.08556	1.8
157.10126	2.8
159.08046	6.8
159.11655	7.8
161.09564	4.8
161.13280	3.2
163.11172	6.1
165.09233	1.1
169.10132	2.0
171.11734	1.8
173.09671	3.0
173.13269	6.1
175.11177	2.7
177.09096	4.4
177.12729	2.0
179.10645	1.0
183.11697	3.3
183.19160	1.0
185.13327	1.0
187.11232	2.6
187.14809	1.7
191.14372	2.7
197.13275	2.0
201.12796	4.7
207.13876	2.5
211.14749	1.2
214.89169	1.2
215.14386	1.1
215.17940	1.5
219.13834	4.0
229.19644	1.6
231.17769	1.1
239.17995	2.5
247.20677	2.7
257.18982	10.5
273.18546	2.4
275.20026	100.0
276.20447	3.4
293.21054	41.9
294.21402	1.1
335.22144	18.9
335.25958	1.4
341.21201	1.3
349.23685	38.8
350.24222	1.9
355.22882	1.4
365.23572	1.5
367.25217	0.9
383.22177	7.4
401.23141	12.1
419.24222	34.5
419.29645	1.8
420.24680	1.6
437.25293	52.0
438.25787	2.9
541.26099	1.5
542.26624	1.9
577.81982	1.2
646.61377	1.0
820.48511	60.5
821.49060	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	821.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03908	0.7
67.05478	1.1
69.03394	1.5
69.29546	3.0
71.04967	0.6
79.05457	0.9
81.03378	2.0
81.06995	0.8
85.02865	2.0
89.03876	1.1
91.05461	1.1
92.05034	0.6
93.07005	1.7
94.06528	3.0
95.04926	0.6
95.07327	1.5
96.08118	4.4
97.02843	1.8
97.06490	1.2
108.04493	0.6
108.08066	3.4
109.02849	1.4
110.09657	6.0
112.64542	0.6
116.04940	2.7
120.04462	1.2
120.08080	4.9
122.06007	5.3
122.09581	0.6
124.07574	3.4
125.39063	0.6
127.03886	1.1
134.05959	0.8
136.07538	7.6
137.08339	1.2
138.09128	7.8
138.64661	0.5
140.31758	0.7
143.08546	0.8
144.04433	7.3
145.02747	0.7
145.05026	1.1
146.05972	2.7
148.07539	2.4
150.05455	1.5
150.09151	0.7
152.07007	0.8
158.09706	0.7
160.03856	1.1
160.07553	0.8
162.05470	5.3
166.08600	12.6
167.06999	0.7
170.09627	3.9
172.03911	46.3
172.07530	1.6
172.11176	0.8
173.04283	0.8
174.05544	0.9
175.08662	1.2
180.06497	0.8
186.09073	1.2
187.12267	4.3
188.10674	0.8
190.04953	6.4
194.08127	0.8
198.09099	22.6
200.09375	2.6
200.10933	1.3
202.08662	0.8
204.06529	71.8
205.06898	2.5
206.08141	1.0
210.05328	0.6
212.10707	4.1
213.10228	0.7
215.11760	18.7
225.10193	1.6
226.08650	5.9
227.08174	0.9
227.11748	2.3
228.08812	1.2
229.09715	1.0
229.13356	1.2
236.09451	0.8
237.10109	0.9
239.11760	1.1
240.10133	2.6
241.09656	1.9
241.13203	0.8
242.10280	1.2
243.11246	94.0
244.11621	2.7
253.09669	0.8
255.11201	7.8
257.12811	5.9
264.08746	0.7
265.09671	0.6
267.11301	0.8
269.09152	2.2
277.09579	0.8
279.11252	1.6
283.10724	0.8
284.11517	1.2
285.12283	81.7
286.12613	3.4
287.05389	1.3
297.12253	2.0
301.11771	7.6
303.13342	100.0
304.13788	2.6
315.09558	0.9
325.11789	5.6
327.13501	1.0
329.14966	1.1
339.13541	0.8
357.14392	18.0
358.15198	2.7
359.15906	2.6
370.15546	0.9
378.71741	0.6
386.15002	0.8
400.16519	0.9
416.15955	1.2
418.17493	1.1
428.16199	1.1
430.17636	1.0
462.16333	2.8
474.16571	3.4
476.18372	0.6
487.17130	1.9
494.19186	3.9
506.19135	1.1
517.94354	0.7
519.19611	1.6
536.20294	1.2
545.42480	0.7
556.33838	0.6
583.25452	8.2
599.25287	2.8
609.23669	1.2
627.24329	25.7
659.26831	2.5
789.28961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72549	0.6
66.23730	0.7
67.05507	1.3
69.03409	2.2
69.07061	1.8
70.06573	1.1
73.02921	0.8
79.05477	1.5
81.03402	1.7
81.07047	1.9
83.48929	0.7
85.02895	2.4
89.83872	0.8
93.07001	1.2
94.06570	1.9
95.07340	1.5
95.08589	1.8
96.08133	2.4
97.02894	3.0
98.22694	1.6
103.05491	0.8
105.03382	0.8
105.07008	1.1
108.08104	3.3
109.02868	1.9
109.10191	1.1
110.09660	4.8
116.04976	1.5
119.08585	1.4
120.08101	3.6
122.06011	4.6
124.07536	3.6
125.66992	0.8
127.03889	2.8
134.05963	1.3
136.07562	6.3
137.06012	1.0
138.09102	5.3
144.04337	3.9
145.02872	2.0
145.04951	0.8
146.05977	2.1
147.04425	1.1
148.07556	1.8
150.05482	1.4
152.07042	1.3
160.03886	1.3
162.05469	2.2
164.07036	1.0
166.08611	9.6
167.07104	1.5
170.09647	3.2
172.03911	27.4
174.05415	0.9
176.07077	0.9
176.24603	0.7
177.05431	3.3
183.06755	0.8
184.07529	0.7
187.12254	2.8
190.04985	6.4
198.09093	17.6
198.10777	1.4
200.09279	1.8
204.06535	46.3
205.06970	1.2
206.08084	0.9
212.10744	4.5
215.11781	13.3
226.08662	5.3
227.11755	1.7
229.13466	0.8
238.08429	0.8
239.11870	1.0
240.10185	2.3
241.09651	2.0
241.13361	1.8
242.10559	1.6
243.11252	77.4
244.11592	2.9
255.11255	6.3
257.12811	4.1
265.09549	1.1
279.10358	1.2
283.10757	1.1
285.12286	73.2
286.12698	1.8
287.05496	4.5
294.12430	3.3
297.12247	2.1
301.11737	7.5
303.13339	100.0
304.13651	3.2
313.11902	1.2
325.11383	5.6
329.14731	1.3
339.09708	1.3
339.13623	0.9
356.18484	2.3
357.14478	11.3
358.15445	1.2
359.15735	1.2
371.12549	1.2
418.17700	1.8
430.17441	1.2
448.77725	0.9
460.18805	0.9
462.16489	2.2
470.17441	1.2
474.16443	3.7
476.17981	2.7
487.17239	1.9
488.17136	0.8
494.18979	2.5
506.19119	1.3
557.97058	0.7
583.25366	4.9
599.24896	1.1
609.23022	3.0
627.24390	12.6
628.24323	1.3
641.25964	9.1
642.25751	0.8
649.49005	0.9
659.26160	2.1
681.82220	1.0
803.30884	1.3
815.05798	0.8
821.28436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05981	0.5
61.12644	0.5
67.05479	1.1
69.03400	0.8
70.06590	0.6
73.47934	0.5
74.05745	0.5
79.05461	0.8
81.03369	0.8
81.90366	0.5
82.06565	0.6
85.02873	1.0
89.03875	0.8
91.05441	1.0
93.06999	1.6
94.06555	3.1
95.07330	1.2
96.08105	3.5
97.02842	1.4
97.06523	0.5
98.22671	0.9
107.07310	0.5
108.04405	1.0
108.08107	3.8
109.02832	0.5
110.09638	3.8
116.04971	2.6
120.04420	1.2
120.08106	4.0
122.06010	5.6
124.07590	4.5
128.59052	0.5
134.05907	1.0
135.45490	0.5
136.07550	6.8
138.09114	5.8
143.08536	0.6
144.04405	6.3
144.08086	0.8
145.05083	0.8
146.06001	3.0
148.07492	1.3
150.05464	1.3
150.09142	0.7
152.07001	0.9
153.06924	0.6
160.03906	1.4
160.07547	0.7
162.05446	4.1
164.07043	0.6
166.07256	0.8
166.08617	10.0
168.07990	0.5
170.09605	3.5
172.03909	37.7
172.07448	1.0
172.09802	0.7
172.11180	1.2
173.04321	0.8
174.05464	1.2
175.08626	1.2
183.06750	0.7
184.11186	0.9
187.12268	4.2
190.04967	8.2
197.10777	0.5
198.09117	23.5
200.09097	2.4
200.10916	1.0
204.06529	49.1
205.06917	0.9
210.09157	0.6
212.10774	4.3
213.10155	0.9
215.11765	21.2
216.10068	0.6
225.10191	1.7
226.08675	7.4
227.08308	0.8
227.11760	2.6
228.08752	0.7
229.09650	0.6
229.13298	1.0
231.11273	1.1
237.10167	0.6
239.11810	1.0
240.10309	2.6
241.09665	1.9
241.13293	1.8
242.10373	1.7
243.11249	100.0
244.11658	2.7
249.10320	0.7
251.11882	0.6
253.09787	0.9
255.11264	7.5
256.11935	0.9
257.12753	4.9
267.11176	0.7
269.09064	1.0
279.11224	1.4
283.10983	0.6
284.11337	0.6
285.12286	79.7
286.12671	3.0
287.05499	1.0
297.12314	1.8
298.12997	0.8
301.11777	6.6
303.13342	98.6
304.13788	3.9
307.10666	0.8
315.09448	0.6
325.11636	6.2
329.14801	1.0
339.13266	0.6
342.58591	0.5
343.12961	0.9
357.14389	11.2
358.15109	1.4
359.15912	1.0
381.10785	0.7
418.17502	1.3
430.17657	0.7
456.15643	0.6
462.16498	3.0
470.17163	1.7
474.16803	3.2
476.18188	3.3
487.17197	1.7
494.19159	2.7
506.19357	1.0
583.25317	4.2
584.25183	0.8
599.24872	1.5
609.23596	1.5
623.24683	0.9
627.14471	1.0
627.24384	13.6
628.24298	1.3
641.26038	8.7
659.26904	1.1
803.31018	1.7
803.46143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.6
62.43989	0.4
65.03924	1.2
65.28369	0.5
69.03420	2.3
69.23483	2.9
73.02908	0.5
79.05480	1.8
80.05006	1.3
81.03405	1.4
81.07015	0.5
85.02895	3.4
89.03944	1.2
91.05493	1.0
93.03434	0.5
93.07050	2.0
94.06556	6.4
95.04960	1.0
95.07339	2.0
96.08113	6.1
97.02891	2.3
103.05444	0.6
106.06504	1.2
107.07337	0.9
108.04456	3.1
108.08109	10.6
109.02902	1.1
110.06071	0.7
110.09662	9.3
112.07629	0.5
116.04980	3.9
118.06521	1.1
120.04458	4.5
120.08077	7.1
122.06008	7.9
122.09665	1.0
124.07575	7.5
127.03947	0.8
130.06490	0.7
132.04468	0.6
132.08138	0.6
134.06004	3.4
134.41463	0.5
136.03990	0.6
136.07552	13.0
138.05501	0.8
138.09114	13.7
144.04454	6.8
144.08040	0.7
146.05983	8.3
148.07553	5.4
150.09077	1.2
152.07086	1.9
158.06004	1.0
160.03879	3.3
160.07622	2.0
162.05518	4.3
163.06361	0.6
164.07048	2.6
166.08618	16.6
168.08075	0.6
172.03906	32.3
173.04272	0.8
174.05446	2.8
174.09097	0.8
176.07069	4.9
177.05411	0.9
177.75801	0.5
182.09682	0.6
183.09178	0.9
184.09901	0.5
185.10789	1.2
186.05617	0.8
186.09192	0.6
188.07065	0.8
190.03246	1.2
190.04970	22.5
192.06494	1.1
195.09135	0.6
196.07588	1.0
197.06985	0.6
197.10718	1.4
198.07854	1.2
198.11542	0.6
199.08679	1.3
200.09425	0.9
201.10228	1.0
203.08360	0.5
204.06532	48.4
205.06898	0.8
209.10762	1.3
210.11584	0.7
211.08565	2.4
211.12288	0.6
212.09499	1.7
213.10216	5.8
214.11069	1.3
215.11809	2.8
223.08629	1.1
223.12181	0.8
224.09430	1.4
225.10243	3.2
226.08629	1.7
226.11050	1.6
227.11720	2.4
229.09914	1.0
229.13242	0.7
235.08652	1.1
236.09476	1.8
237.10146	3.2
238.10999	2.1
239.11812	1.6
241.09735	3.4
243.11247	12.9
244.11797	0.8
245.12872	0.7
249.10265	1.6
250.11003	0.8
251.08156	1.1
251.11751	2.5
252.08755	1.0
253.09767	2.1
253.13336	1.1
254.10365	1.1
255.11234	2.6
256.12006	1.0
257.12875	1.6
259.10834	0.6
263.08267	1.6
263.11786	0.6
264.08878	4.1
265.09668	3.6
266.10501	1.3
267.11325	2.2
269.09241	3.7
269.12805	0.6
270.10025	1.2
271.10794	3.1
273.12296	5.3
274.13116	0.7
277.09695	2.2
278.10449	1.4
279.11288	5.8
280.11990	0.9
281.09189	1.1
281.12860	1.5
282.09998	1.1
283.10724	5.6
284.11438	1.3
285.12311	16.0
285.15366	1.1
287.10181	9.5
289.09708	0.7
293.09116	1.6
294.09973	0.6
295.10892	1.5
296.11459	0.8
297.12305	9.6
299.10648	1.0
299.14008	4.2
300.14871	1.0
301.11823	3.0
302.12820	2.2
303.13370	23.8
304.14252	1.9
305.09323	0.8
307.10657	3.2
309.12332	1.4
310.12628	0.6
311.10358	1.6
313.11960	2.3
314.13071	0.9
314.16623	1.6
315.10587	0.9
315.17282	0.9
316.10861	2.2
316.14621	1.7
317.15317	1.1
318.16089	2.3
323.10251	6.7
325.11743	22.3
326.12570	1.9
327.13745	2.8
328.11121	1.4
328.14709	1.3
329.11652	1.6
329.15161	0.9
330.12506	3.4
330.15851	1.0
331.13364	1.7
332.13779	1.0
333.14529	0.7
337.08072	0.6
337.11920	0.8
340.14404	1.1
341.12354	0.8
342.12561	1.4
342.16238	0.9
343.12988	3.9
344.13928	5.0
345.14682	1.1
346.15475	3.2
347.16458	1.3
348.13528	0.6
354.12399	1.0
356.14056	0.9
357.14407	20.3
358.11664	1.3
358.15457	7.4
359.16437	1.0
360.17468	0.7
361.14444	1.1
362.14978	0.8
368.13885	0.8
370.11743	2.8
371.12485	4.4
372.13150	5.3
372.16406	0.9
373.14038	2.1
374.14890	3.3
374.19052	1.0
376.16730	1.4
381.10666	0.8
382.15845	0.7
383.12418	0.6
384.13409	0.8
385.14291	3.6
386.14938	12.1
387.15695	7.0
388.12445	1.1
388.16632	1.6
392.16006	2.0
394.17545	1.8
396.13388	0.6
399.15506	0.8
400.16547	1.5
401.13782	1.6
402.13608	2.4
402.18341	1.9
403.15305	1.6
404.15955	6.2
405.16794	0.9
406.17651	4.3
410.15277	0.6
412.16843	0.6
413.14529	1.0
414.14398	14.3
415.15210	26.9
416.15820	3.5
417.16754	1.0
418.17654	2.6
420.15329	5.6
428.16162	2.3
430.17651	4.2
432.15494	18.4
433.15955	1.2
438.16153	1.6
444.15384	2.9
445.16565	0.7
446.16992	5.1
447.17618	0.6
456.15363	6.0
457.15741	0.6
462.16443	9.1
464.18295	1.0
474.16550	30.4
475.17014	1.3
487.16995	6.5
488.18216	0.7
494.19113	3.0
506.19247	10.1
507.19824	1.1
519.19855	1.0
521.22260	0.6
539.22461	0.8
567.22064	0.7
581.24036	1.6
583.25433	1.7
585.23444	3.9
599.24835	2.4
609.23486	4.6
627.24384	100.0
628.24640	8.8
659.27039	15.5
660.26978	1.4
718.76721	0.6
771.28668	1.0
789.29504	13.5
790.29565	1.5
821.33008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.4
59.04994	4.2
61.02921	1.3
67.05496	24.6
69.03419	2.4
69.07063	11.5
71.04984	4.7
73.02901	1.1
74.06066	2.1
77.03930	3.7
79.05488	16.9
81.03400	7.7
81.07048	23.1
83.04982	3.7
83.08616	6.3
84.28374	0.9
85.02897	3.2
85.06541	1.3
87.04460	4.9
91.05471	14.5
93.07031	12.8
95.04958	26.5
95.08579	7.9
96.88937	0.8
97.02887	2.5
97.06522	2.6
97.10174	3.9
98.22703	3.0
99.04448	2.8
99.08160	1.1
105.03381	100.0
105.04404	6.8
105.07009	11.3
107.04939	4.0
107.08573	7.5
108.08089	1.2
109.06533	5.3
109.10142	12.2
111.04451	2.1
111.08070	2.3
115.05449	1.5
117.07027	4.3
119.08582	8.8
121.06521	2.9
121.10139	6.0
123.08053	2.6
123.11732	1.0
125.09635	3.8
129.07027	2.8
131.08540	5.3
133.06491	1.8
133.10072	5.2
135.08015	1.3
135.11668	3.0
137.09560	1.4
143.08588	1.6
145.06505	1.7
145.10059	5.0
147.08044	2.9
147.11642	5.3
149.09616	3.9
149.13219	1.9
151.07671	0.9
151.11107	1.7
155.08560	2.6
157.08842	2.8
157.10059	2.3
158.09665	4.9
159.08115	1.6
159.11658	2.2
161.09621	1.3
163.11214	4.0
165.12801	1.6
168.94556	0.9
169.10133	1.8
171.11707	2.0
173.09586	1.7
173.11757	2.9
173.13210	1.5
174.09215	2.0
175.11191	1.2
177.12798	1.2
179.08472	1.7
192.09340	1.5
193.10150	3.0
193.12207	3.0
199.13309	2.3
200.10574	1.3
205.10205	1.6
207.11682	3.1
209.11763	1.1
215.47986	1.0
216.09514	1.2
217.10220	1.6
217.14371	1.3
218.11015	2.2
219.11754	4.0
221.13437	1.6
223.13158	1.0
227.12862	1.2
229.14323	13.3
231.11792	1.0
233.13260	3.8
241.14394	1.3
243.11606	1.3
247.20534	1.2
248.14224	1.0
249.12704	2.0
257.19177	1.9
261.12805	1.7
267.15924	6.5
274.15945	4.6
275.20029	14.5
277.14984	1.1
283.15417	3.4
290.15341	1.9
291.19485	2.0
292.16937	4.8
293.21140	2.3
301.16510	1.0
302.15387	2.1
310.18201	1.7
310.90042	1.0
315.18021	2.0
320.16568	4.3
334.18076	2.0
338.17447	2.9
349.23767	6.5
352.19043	1.9
362.17480	2.7
367.24844	3.0
380.18552	3.1
394.20016	1.8
398.19818	1.5
399.19266	2.2
401.20694	1.4
404.18427	1.2
423.27634	1.5
440.20700	2.6
449.68036	1.1
462.82623	1.0
502.21991	1.6
503.33774	7.5
521.34790	5.5
544.23462	1.9
585.40173	1.0
586.24078	2.0
604.25293	2.5
607.30078	1.8
708.27655	1.3
726.29388	7.3
727.28412	1.3
755.34088	1.1
764.73846	1.0
779.31879	1.1
822.34753	73.5
822.50366	4.4
823.35034	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	822.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
58.06591	1.3
61.02932	1.9
65.03925	0.8
69.03418	7.8
70.06577	1.8
71.04981	2.1
73.02917	1.9
74.06064	0.8
75.04480	2.3
77.03931	3.2
79.05498	1.6
81.03417	4.9
81.07050	1.5
85.02895	10.2
87.04462	1.6
91.05452	3.8
94.06562	1.9
95.04954	13.3
96.08132	1.6
97.02877	4.6
97.06530	1.4
99.04436	0.8
105.03378	93.5
105.04530	5.0
105.07051	1.8
106.03678	0.9
107.04976	1.3
107.07368	1.0
108.08106	4.6
109.02882	2.0
109.06519	1.3
110.09680	0.8
117.07024	1.3
120.08121	2.1
121.06480	1.0
122.06002	1.0
124.07594	1.0
127.03891	4.0
128.06256	0.9
129.07011	3.2
131.08591	1.7
132.08086	1.7
133.02925	0.8
137.05991	1.8
137.48201	0.7
138.09145	2.8
141.07002	1.8
143.08595	1.5
144.08090	1.9
145.06480	0.7
146.06021	1.4
146.09598	1.2
147.04411	1.4
147.08083	0.9
153.06956	1.1
155.08553	1.9
158.09708	1.8
159.08080	1.4
160.07539	4.3
161.05977	0.9
162.05737	0.8
163.03911	0.8
164.10733	0.9
165.05602	1.8
165.06995	1.8
167.07097	1.0
167.08597	1.7
170.09682	1.6
172.04015	2.2
172.11281	2.2
174.05547	2.6
174.16240	0.9
176.10725	2.2
177.05522	2.0
179.08583	2.0
179.85281	0.7
181.06519	1.0
181.10158	1.2
182.09729	1.4
188.07115	0.8
190.12325	1.4
191.08615	1.9
192.09361	0.7
193.10223	1.8
195.08195	1.3
195.11795	0.9
198.09193	1.1
199.09552	0.9
202.07806	1.2
203.08609	2.1
204.06528	3.9
204.13889	1.6
205.06912	1.9
205.10172	3.8
209.09671	1.4
215.08636	1.3
217.10156	1.1
219.08093	1.6
220.09079	1.0
221.09720	1.2
222.14963	1.0
226.12311	0.9
228.82179	0.9
229.07164	1.0
233.09712	2.3
235.11295	1.3
237.09158	1.1
243.11221	4.4
244.11636	1.8
245.09775	0.9
251.10803	2.1
261.09158	1.7
262.12335	1.1
265.12375	0.9
267.91458	0.9
281.15485	0.8
282.14786	1.1
285.12234	3.9
286.12607	1.6
287.05573	1.4
291.12744	0.8
292.13382	0.7
293.11832	1.5
303.13397	5.5
304.13449	4.5
308.16678	0.9
326.17575	1.1
336.15933	1.8
340.19183	2.4
358.20261	1.8
368.18600	1.9
370.16562	0.7
377.80417	0.9
380.39059	1.0
386.19440	1.4
396.18130	1.9
458.19809	0.8
462.22787	1.7
464.20737	1.3
476.20654	1.2
480.24289	2.3
490.22037	3.7
508.23312	3.0
522.24908	6.9
540.25873	5.3
568.25574	1.5
582.26947	5.1
600.28131	11.3
601.27808	1.7
628.25464	1.1
660.30029	19.3
661.29761	1.0
762.33118	5.2
822.35254	100.0
823.35028	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	822.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.2
57.07059	2.9
59.04984	3.8
60.63247	1.0
61.02922	5.5
65.03920	3.1
67.05495	44.0
67.05862	2.2
68.99782	1.3
69.03430	6.1
69.07056	11.9
69.75385	2.2
71.01345	2.3
71.04985	6.4
73.02906	3.9
77.03915	1.7
79.05482	40.2
81.03405	17.3
81.07047	43.0
82.07394	1.1
83.01324	8.7
83.04969	19.4
83.08598	14.1
85.02892	7.2
85.06512	2.1
87.50474	0.9
91.05469	33.1
92.06260	1.0
93.07030	38.5
94.04182	1.1
95.04954	20.0
95.08592	18.8
96.05735	4.1
97.02886	6.6
97.06516	8.3
97.10147	9.0
98.07311	2.0
98.23455	1.2
99.04453	4.0
99.08069	1.9
101.06012	1.5
101.77387	0.9
103.05449	1.5
105.03383	3.6
105.04519	2.6
105.07013	19.4
105.07710	1.0
107.04935	14.4
107.08577	22.5
107.09251	1.8
108.68573	0.9
109.02855	2.0
109.06497	17.1
109.10139	19.9
111.04433	4.3
111.08071	6.0
113.06013	1.1
115.05457	1.7
116.04705	5.7
116.06215	1.0
117.01034	1.4
117.06998	14.2
119.08554	18.3
121.06490	6.9
121.10107	11.7
123.04427	2.7
123.08054	12.6
125.06023	1.5
125.09612	10.9
127.07587	1.1
128.06198	1.8
129.05463	19.2
129.06944	5.1
130.07759	1.6
131.02626	1.3
131.04889	1.2
131.08559	9.9
133.06496	3.0
133.10100	9.3
135.08025	7.0
135.11673	13.6
137.05994	1.0
137.09581	6.2
138.10356	3.2
139.11119	1.4
142.07784	1.7
143.07021	3.8
143.08499	4.4
143.10646	1.3
145.06477	3.5
145.10092	19.8
147.07991	7.5
147.11707	2.3
149.02330	3.1
149.09592	6.1
149.13339	1.3
151.11133	2.1
153.09111	2.3
153.12695	2.4
155.08528	2.9
155.10663	2.2
157.08598	10.2
157.10110	2.7
158.05899	1.0
159.08101	2.5
159.11684	1.4
161.09581	4.9
163.07539	1.2
163.11159	28.0
165.09079	1.5
165.12866	0.9
167.10690	1.4
171.05659	1.2
171.10124	3.8
171.11610	2.1
173.07231	1.1
173.09589	5.2
173.11740	6.5
173.13031	1.1
175.11168	3.0
175.14810	1.1
179.36455	0.9
181.12244	3.9
183.11665	1.1
191.10634	4.2
193.04967	1.3
193.12323	1.1
195.11691	1.0
199.13203	5.6
209.11658	7.7
211.13300	1.2
221.11737	1.3
227.12808	5.2
228.23277	2.3
229.14360	3.7
237.16481	1.1
245.19069	1.4
255.17580	1.6
261.18646	1.4
267.15918	2.5
271.16763	1.7
273.18369	7.4
275.19867	1.3
279.15146	1.2
283.15344	100.0
284.15662	2.7
288.74017	1.0
289.17947	3.5
291.19574	1.1
307.14590	1.3
309.15979	1.7
325.15564	4.4
337.16431	1.4
343.17462	0.9
347.22269	2.2
349.23761	1.3
383.19690	3.8
399.19284	6.4
407.24161	2.2
417.20306	61.1
418.20612	2.7
425.25223	3.3
437.25281	26.6
542.35382	1.1
555.07086	1.0
555.32977	3.2
573.34106	3.9
574.37915	1.2
591.30573	8.6
607.30219	4.6
625.31226	43.2
626.31458	2.6
822.35291	3.5
822.50397	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	822.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	8.9
58.95975	1.1
59.04988	4.6
61.02920	3.5
61.03711	1.0
65.03922	1.5
67.05495	31.9
69.03424	4.1
69.07064	12.7
71.01361	1.7
71.04985	2.6
73.02911	2.0
73.20177	1.0
79.05484	30.9
79.05945	2.0
81.03402	12.3
81.07044	47.8
81.35033	1.2
83.04978	6.2
83.08612	16.2
85.02892	4.0
85.06540	3.2
87.04478	1.6
91.05468	39.4
91.06041	2.0
93.07027	31.7
93.07589	1.9
95.04948	15.0
95.08592	14.0
97.02869	7.3
97.06517	4.6
97.10169	5.8
99.00805	14.4
99.04453	2.4
103.05448	2.5
105.04515	1.7
105.07011	30.6
107.04939	14.9
107.08578	15.8
109.02850	10.3
109.06499	9.8
109.10138	12.5
111.04453	3.0
111.08075	5.2
115.03908	2.7
115.05412	2.3
117.01083	1.2
117.07004	14.1
119.08556	23.2
121.06484	12.1
121.10144	10.7
123.04446	1.8
123.08041	11.6
123.11696	2.2
125.09628	4.4
127.03889	2.9
128.06189	3.2
129.01045	1.3
129.06972	6.5
131.08559	14.1
133.06497	5.1
133.10107	36.7
135.08008	7.5
135.11661	5.6
137.05922	1.4
137.09598	3.2
139.07538	3.6
141.06973	1.4
142.07823	1.2
143.08542	11.1
145.06471	2.3
145.10098	12.7
147.08047	8.1
147.11676	4.4
149.09613	8.6
151.11174	8.7
155.08589	1.5
157.10161	5.2
157.11224	1.1
159.08060	2.3
159.11673	5.1
161.09596	22.3
163.11165	8.6
165.09123	1.7
169.10092	2.3
171.08083	3.5
171.11725	3.4
173.09547	2.5
175.11177	2.7
177.09177	1.3
177.12738	1.6
179.10640	9.9
181.10106	1.4
185.13248	2.9
189.09097	7.6
189.11072	2.2
191.10626	1.8
193.12221	2.5
197.07253	3.3
197.11674	3.3
205.12192	1.1
207.10225	2.7
209.11771	1.4
213.12830	1.3
223.13176	1.5
225.11168	9.3
227.12738	1.3
227.18047	2.3
229.14359	2.8
243.12212	3.4
249.14780	1.4
255.17407	2.5
267.15936	3.0
268.16208	1.4
273.18460	24.4
274.05557	1.2
275.20013	3.4
281.13806	6.5
291.19507	30.2
299.14850	100.0
300.15207	3.4
301.16602	1.5
309.15915	5.6
327.16931	1.3
347.22168	6.3
365.23059	2.2
367.24786	1.4
383.19775	21.5
401.20840	40.4
423.27304	1.3
553.31134	1.2
557.34485	1.9
571.32507	7.3
575.35474	1.7
589.33545	14.6
590.33636	1.3
607.30194	33.0
608.30817	1.8
625.31250	38.9
626.31500	3.0
822.42651	2.4
823.42804	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	33.6
57.07072	9.3
59.04995	4.4
61.02917	6.6
65.03919	5.2
67.05493	100.0
68.96638	1.7
69.03410	14.0
69.07053	42.5
69.86770	2.0
69.87106	6.1
70.04197	2.5
71.01344	8.4
71.04975	11.0
71.40929	1.7
72.73035	1.7
73.02906	11.4
77.03926	3.5
79.05481	74.3
79.75607	1.6
81.03403	33.9
81.07042	90.9
82.04180	8.2
83.04968	28.8
83.08600	27.3
84.91891	2.0
85.02891	8.2
85.06518	5.8
87.04451	3.0
91.05464	58.4
93.07032	54.4
94.07820	2.1
95.04956	49.2
95.08598	27.4
96.05750	4.2
97.02872	23.9
97.06522	24.3
97.10150	28.6
98.07292	7.8
99.04453	2.4
99.08091	3.2
101.05989	3.1
105.04464	3.5
105.07008	35.6
107.04929	30.7
107.08563	38.7
109.02882	5.6
109.06484	25.2
109.10130	47.4
111.04452	9.7
111.08069	15.0
115.05422	4.2
116.04685	17.4
117.07010	19.2
119.08546	35.0
121.02924	2.3
121.06464	13.0
121.10130	16.4
122.07269	4.2
123.04419	9.1
123.08043	15.6
125.05991	1.9
125.09605	42.6
127.11173	2.9
128.06186	2.6
129.04543	3.8
129.05463	49.5
129.06935	12.7
130.07791	2.3
131.08542	20.4
133.06471	7.2
133.10109	22.1
135.04425	2.2
135.08034	20.7
135.11667	15.3
136.08852	3.2
137.05965	3.2
137.09584	31.7
139.07501	2.0
142.07715	2.4
143.07022	10.9
143.08557	6.7
143.10641	3.1
145.06477	3.7
145.10080	18.2
147.08017	11.3
147.11641	11.7
149.09595	11.3
151.07600	3.2
151.11166	4.3
151.86578	1.9
153.09064	13.9
153.12724	3.4
155.08470	2.4
155.10629	4.5
157.08586	21.4
157.10081	9.1
158.05717	3.5
159.07976	4.0
159.11699	5.9
161.09573	9.6
163.07547	3.5
163.11162	14.6
164.11876	1.9
165.09123	5.4
165.12730	3.8
171.10136	11.3
171.11676	5.1
173.09610	5.1
173.11716	11.0
173.13147	2.3
175.11108	10.1
177.12787	3.7
181.12169	2.7
185.11766	3.2
185.13280	2.2
187.11137	3.1
189.11211	17.3
191.10660	6.7
193.12206	23.0
199.09639	2.8
199.13229	11.1
200.13994	3.7
201.14806	3.3
209.11722	8.2
210.12473	3.7
211.13254	5.0
213.11118	2.5
217.14326	2.5
221.11652	5.3
223.13228	3.7
227.12708	23.7
229.14294	24.4
239.12689	3.5
245.19067	2.2
255.15796	5.3
265.14310	3.1
267.15875	13.3
269.17264	3.0
273.18451	22.3
275.20108	2.5
283.15509	10.3
283.18469	2.5
285.16891	3.3
289.17957	12.6
291.19412	11.9
299.14764	2.4
301.16403	65.5
307.18970	3.6
312.04050	1.8
341.71432	2.3
347.22125	8.9
349.23477	2.1
363.21701	3.4
365.23190	14.3
381.22739	11.2
397.21970	2.0
399.23682	25.2
399.67560	2.3
425.24661	2.1
437.25031	3.6
455.26349	15.3
477.27890	2.0
539.28326	3.7
556.33557	2.6
557.34686	6.5
573.33832	5.8
575.35254	5.5
591.35040	19.1
607.34222	5.3
608.34930	2.2
625.25879	3.7
625.35706	70.7
626.35638	5.7
645.46466	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03216	1.9
57.03432	21.0
57.07059	4.1
57.61976	1.9
59.04989	4.3
61.02913	10.1
65.03940	5.7
67.05158	3.9
67.05499	73.0
67.05859	3.7
69.03416	8.1
69.06706	2.4
69.07061	29.6
71.01328	6.3
71.04975	6.5
73.02893	6.2
79.05483	75.9
81.03407	24.3
81.07046	83.3
83.01321	5.6
83.04974	30.5
83.08607	22.4
85.02887	14.9
85.06528	6.9
87.04466	2.2
91.03936	5.8
91.05470	45.6
93.07030	65.0
95.01317	3.1
95.04958	27.5
95.08588	29.1
97.02884	15.0
97.06530	18.7
97.10159	28.6
98.22702	5.0
99.04461	4.7
99.08073	5.1
103.05441	3.4
105.03345	2.4
105.07020	29.0
107.04939	27.6
107.08582	45.1
109.02855	3.6
109.06491	14.3
109.10145	23.8
111.04430	23.2
111.08061	8.4
113.05986	2.3
116.04681	6.7
117.07004	23.2
119.04927	2.3
119.08556	30.2
121.06508	13.1
121.10130	27.3
123.04426	7.6
123.08051	21.9
125.05988	3.1
125.09628	19.1
126.36880	2.0
127.03903	4.0
129.05457	22.2
129.06981	8.3
130.07738	2.3
131.08522	12.8
133.06473	4.3
133.10089	14.3
135.08057	12.5
135.11676	53.4
137.05881	2.7
137.09587	15.0
139.11148	3.6
143.07024	5.3
143.08534	8.3
145.06483	6.7
145.10100	35.7
147.08029	9.1
147.11679	8.8
149.05980	2.3
149.09596	7.4
151.07495	3.0
151.11093	2.4
153.09097	7.3
153.12729	8.7
155.08557	6.0
157.06494	2.4
157.08583	8.7
157.10045	4.8
159.08058	3.3
159.11720	4.0
161.09583	8.3
163.07535	2.2
163.11172	39.8
164.11566	2.3
165.09102	3.6
171.10156	4.8
171.11661	2.8
173.09637	14.3
175.11208	4.5
177.12801	3.1
179.10672	3.8
181.12204	17.3
185.13251	4.0
187.11172	4.9
189.09543	2.4
189.11087	10.2
189.12642	2.2
191.10606	15.1
193.12218	9.1
199.13248	3.7
207.09927	2.8
209.11734	24.6
211.09644	4.8
223.13222	4.3
225.11186	3.5
227.12767	23.0
229.14259	3.3
245.18924	3.2
249.14755	2.3
250.50974	2.4
255.15855	50.4
265.14310	20.3
267.15750	3.4
273.18472	25.0
277.08722	2.3
283.15366	56.5
289.17920	8.4
291.19504	38.9
299.14862	12.8
301.16330	23.0
309.20560	5.8
317.15845	23.2
347.22052	5.7
363.21713	2.6
365.08209	4.1
365.23096	16.2
379.10083	3.8
381.22623	13.7
383.24240	9.0
395.09637	3.0
397.11197	4.4
398.11560	9.8
399.23572	5.5
435.11725	2.5
437.24930	2.7
445.25717	5.1
445.36783	2.9
453.10416	3.1
455.25845	3.0
463.26840	100.0
463.37341	4.5
464.26855	4.5
470.16638	3.6
471.16806	12.3
472.16953	2.6
502.20386	2.1
555.33185	2.7
571.32281	3.1
573.33978	4.5
589.33569	17.0
591.35077	3.4
607.34741	31.3
625.35608	29.2
822.29242	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	822.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.0
64.97176	1.5
65.03925	3.2
67.05152	3.5
67.05497	55.0
67.47316	1.6
69.03420	7.3
69.07057	23.2
69.09461	10.2
71.04975	5.3
79.05488	56.1
79.07530	1.8
81.03407	98.1
81.07047	77.6
83.04974	20.8
83.08611	29.6
85.02911	4.6
85.06519	2.2
91.05470	42.5
93.07034	40.9
93.07594	2.9
95.04958	46.3
95.08593	25.1
97.02890	3.0
97.06520	10.1
97.10159	34.3
99.04485	2.6
99.08038	2.4
105.04512	2.1
105.06339	3.2
105.07021	35.7
107.04942	19.6
107.08583	25.4
109.01674	2.0
109.06502	12.6
109.10125	16.9
109.10654	1.5
111.04433	16.8
111.08062	14.4
115.05453	2.0
117.07012	15.9
119.08565	33.7
121.06482	15.9
121.10110	17.6
123.04425	2.9
123.08047	25.0
125.05951	2.8
125.09618	27.2
128.06157	2.3
129.07010	14.5
130.94830	1.7
131.08531	23.6
133.06473	7.1
133.10117	15.4
135.08041	8.5
135.11673	9.2
137.09595	10.2
139.11108	3.3
141.07036	2.3
142.07791	2.7
143.08571	6.8
145.06490	3.1
145.10120	17.3
147.08058	16.0
147.11646	11.1
149.09578	11.6
152.72308	1.9
153.09132	5.7
153.12726	6.2
157.06357	2.2
157.10094	17.5
159.08096	3.8
159.11681	6.6
161.09613	10.6
163.11174	18.8
165.09041	5.4
169.10085	2.3
171.10242	3.0
171.11687	5.9
173.09625	6.0
173.11771	2.9
173.13268	2.1
175.11163	16.9
177.12715	2.7
181.12216	8.0
185.09595	3.1
185.13307	2.5
189.11218	11.2
191.10698	4.2
193.12192	26.7
209.11729	2.2
211.13284	4.0
213.12755	3.0
219.13771	6.9
223.13261	3.1
227.12724	16.6
227.17932	2.7
229.14323	7.2
245.19022	3.4
249.14819	3.7
255.17488	2.5
267.15884	88.7
268.16064	3.2
273.18530	24.6
283.15167	2.8
291.19513	63.3
309.20505	11.8
313.21616	3.9
329.21164	2.7
347.22256	10.5
363.21503	2.0
365.23279	29.2
381.22672	4.0
383.24234	21.8
385.23755	3.2
433.25555	2.4
447.27866	8.7
465.29996	6.0
483.31137	9.3
493.27802	2.1
539.33527	22.8
557.34680	100.0
558.34802	8.3
575.35724	70.6
576.35980	7.6
607.34375	3.5
656.60291	2.1
733.32855	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	12.9
62.36989	2.4
63.85545	2.6
67.05492	56.2
69.03402	5.3
69.07052	25.6
69.13741	10.5
69.14149	5.6
71.04939	3.2
79.05482	46.8
81.03411	6.3
81.07044	52.4
83.04964	9.5
83.08612	9.7
91.05479	29.4
93.07020	41.9
95.04948	13.8
95.08590	35.4
97.02876	11.2
97.06505	4.3
97.10157	9.9
98.22689	6.8
105.07006	21.2
107.04953	4.4
107.08572	25.3
109.02888	3.5
109.06504	8.4
109.10136	12.5
111.08076	3.6
117.07004	10.9
119.08561	19.8
121.06538	2.9
121.10140	15.3
123.08068	3.6
125.09612	8.1
129.06967	7.6
131.08525	11.5
133.06526	4.0
133.10092	5.3
135.08058	5.9
135.11664	8.3
139.23045	2.5
145.10094	8.8
147.08026	4.9
147.11667	6.5
149.13214	5.6
157.10152	3.1
159.11668	4.9
161.13235	4.1
173.13220	5.6
184.07312	4.7
189.11237	3.8
223.13271	11.0
261.22095	8.7
268.63831	2.7
273.18362	15.0
291.16229	5.3
291.19473	100.0
292.19870	6.1
317.24542	4.8
335.25735	91.6
365.23148	41.3
537.44318	2.8
607.43170	4.0
619.52551	2.9
625.44452	82.6
626.44720	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	824.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	0.5
64.03152	0.4
65.03931	3.9
67.05489	1.5
69.03418	1.8
69.29082	2.2
69.29465	0.5
69.29645	0.4
70.27053	0.4
71.04977	0.6
75.04480	2.3
76.51048	0.4
77.03918	1.0
78.04688	1.7
79.05470	3.4
81.03394	2.4
81.07016	0.4
85.02886	5.6
87.04466	0.4
89.03902	0.6
89.06014	0.7
91.05466	8.1
93.02853	0.6
93.03397	6.7
93.07045	3.4
95.04948	6.4
95.05520	0.5
97.02882	1.4
97.06509	2.6
103.05453	15.7
104.86098	0.4
105.03387	5.4
105.04495	1.8
105.07024	4.6
106.04157	14.1
107.04261	0.4
107.04945	7.5
108.05728	0.4
109.02881	0.9
109.06503	1.1
110.03647	1.4
110.37652	0.4
111.04412	1.3
115.05441	3.6
115.61348	0.4
116.06153	0.4
116.76453	0.4
117.03359	1.1
117.07009	3.0
118.04147	3.0
119.04905	1.3
120.05693	0.8
121.06485	16.1
122.03625	0.5
123.04423	3.6
123.08076	0.8
124.05188	1.6
125.05972	6.1
127.03955	0.5
128.06198	0.7
129.06995	0.8
130.04135	1.3
131.04918	12.9
131.08481	0.6
132.05627	1.3
133.02809	1.2
133.06468	6.8
134.03615	3.2
135.04388	1.3
135.08023	1.2
137.05934	4.3
138.03146	0.7
138.06802	0.6
139.07497	2.3
141.07018	0.5
143.04924	0.7
144.05597	0.8
144.06618	0.7
145.02840	0.9
145.06448	3.5
146.03656	0.6
147.04393	0.9
147.08020	1.4
148.05162	8.0
149.05963	26.6
150.06329	0.7
151.03917	1.9
151.07541	2.4
152.04640	1.0
153.05440	4.6
153.09081	7.6
155.05971	1.0
156.05692	0.5
157.06448	1.1
159.08022	1.3
160.05101	0.6
161.05971	6.8
162.07663	0.8
163.03831	1.4
163.07524	13.3
164.08037	0.4
165.05452	1.1
165.06900	0.5
166.06290	0.9
167.07016	38.3
168.07323	0.8
171.06505	2.8
173.06000	4.3
174.06683	0.6
175.07538	2.4
176.04672	1.7
177.05457	17.4
179.06964	1.5
179.08438	0.7
181.04933	43.3
181.08537	15.1
182.05331	0.5
182.08957	0.5
183.07954	0.5
184.05258	0.6
187.07518	2.5
189.05392	0.9
190.06187	0.9
191.07002	51.3
192.07445	1.1
193.04938	0.9
193.08556	2.7
195.06459	2.9
201.05461	0.8
203.07047	1.6
205.08556	3.5
207.06412	1.1
207.08083	1.0
207.10178	1.4
209.08054	100.0
210.08325	2.4
217.08591	1.6
219.08191	0.6
219.10094	3.1
221.05896	0.5
221.07925	0.9
223.09604	0.4
225.07524	1.1
231.06483	0.6
231.85536	0.5
233.07971	3.6
234.06668	0.4
235.07541	0.8
235.09630	4.1
236.08214	0.5
237.09172	0.6
238.06015	0.5
245.07977	1.0
249.09154	0.6
252.07826	0.6
253.08365	0.5
261.11346	0.5
263.09122	15.5
265.08493	1.0
267.10049	2.6
279.10065	0.6
292.07272	0.4
293.08157	0.6
295.09500	1.1
296.10294	0.5
297.11105	0.8
307.09631	1.2
323.08960	0.9
325.10550	2.0
327.12152	1.1
331.11688	0.8
335.09396	0.5
337.10699	1.0
339.12241	0.8
355.11456	0.5
357.13214	3.2
359.15225	0.5
361.46606	0.4
367.11746	1.1
369.13092	0.8
371.14542	0.8
371.76315	0.4
384.56821	0.4
385.12650	6.7
387.13956	0.9
389.15674	0.9
399.14301	3.0
417.15402	17.1
418.15790	0.9
608.96051	0.4
609.22797	0.6
824.33105	6.1
825.33185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00002	0.8
65.03929	4.5
67.05489	2.0
69.03419	2.6
70.06593	1.6
71.46086	0.9
75.04458	1.9
76.56007	0.7
77.03887	1.0
78.04697	2.4
78.69151	0.9
79.05476	4.3
81.03418	2.9
81.07038	1.5
85.02894	6.1
85.41512	0.9
91.05473	7.0
93.03393	7.2
93.07028	2.5
95.04941	6.4
96.81686	0.9
97.02887	1.9
97.06539	2.0
102.05562	1.1
103.05447	13.4
105.03440	1.2
105.04488	1.5
105.07015	4.8
106.04154	14.1
106.82226	0.9
107.04939	9.9
108.02089	1.0
109.02873	1.7
109.06513	0.9
110.03660	1.4
111.04472	1.4
115.05446	3.2
117.03343	1.1
117.07008	2.1
118.04150	3.4
119.04919	1.3
121.06488	14.5
121.10010	0.9
123.04411	2.9
124.05180	2.1
125.05955	6.7
126.88063	0.8
127.03912	1.9
127.19587	0.8
129.06982	1.2
131.04910	13.6
132.05742	1.0
133.02835	1.2
133.06490	4.2
134.03638	2.7
135.04338	1.3
135.08032	1.2
137.05907	4.7
139.07556	1.1
139.85269	0.9
142.02589	1.4
145.02870	2.6
145.06429	4.2
147.08012	1.3
148.05135	6.4
149.05959	26.4
151.03905	1.9
151.07507	2.0
153.05452	3.7
153.09077	8.9
159.08067	1.0
161.05989	3.9
163.03862	2.8
163.07516	15.3
166.08627	1.2
167.07019	35.9
171.06529	2.7
173.05948	5.8
175.07501	2.0
176.04692	2.5
177.05440	20.7
181.04932	50.0
181.08534	15.8
181.10091	1.5
182.05345	1.0
187.07487	2.0
190.06230	1.4
191.07007	50.8
192.07402	1.5
193.08592	1.1
195.06520	3.5
201.05511	1.2
203.06984	1.7
205.08580	4.0
207.06522	2.6
209.08052	100.0
210.08517	1.4
217.08620	1.7
219.10216	2.7
233.08046	3.7
235.07458	1.9
235.09648	3.6
245.08098	1.2
263.09152	12.0
267.10123	1.4
270.98080	0.9
271.29083	1.0
287.05548	1.2
295.09537	1.2
297.11102	1.1
298.06781	1.0
307.09509	1.1
322.86835	0.9
325.10815	1.9
330.04355	0.8
330.94495	0.9
355.11618	1.1
357.13345	3.3
367.11584	1.9
371.14798	1.4
381.13416	0.9
385.12646	5.6
387.14249	2.0
399.14301	6.7
417.15433	21.6
579.20709	5.1
680.02423	1.0
709.39313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.333
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12064	0.8
61.02890	0.8
65.03930	4.3
67.05489	1.2
69.03410	4.1
69.07041	0.9
70.06577	1.4
71.44642	1.0
75.04475	2.4
77.03922	1.2
77.39439	0.8
78.04704	2.4
79.05486	5.0
80.46936	0.8
81.03410	6.6
81.07026	1.6
85.02898	7.5
88.85636	0.9
91.05468	7.9
93.03378	7.0
93.07051	3.9
95.04954	6.3
96.08095	1.2
97.02881	5.4
97.06496	2.9
103.05448	7.1
105.03388	5.0
105.07004	3.8
105.56151	1.0
106.04164	12.0
107.04955	9.1
109.02858	17.9
109.06508	1.6
110.03730	1.5
111.04425	1.4
111.30683	0.9
115.05430	4.3
117.06991	2.6
118.04108	2.0
119.08553	1.0
121.06496	12.5
122.03650	0.9
123.04477	1.8
124.05209	1.8
125.05965	6.2
127.03892	10.8
128.04248	1.3
129.07016	1.3
131.04909	9.5
131.08566	1.0
132.05650	1.2
133.02811	1.3
133.06471	2.9
134.03616	3.1
135.04399	1.3
135.08105	1.0
137.05930	4.2
138.09105	0.8
139.07521	1.5
144.05675	1.8
145.02821	1.9
145.06477	3.5
147.04404	1.6
147.08020	3.0
148.05161	3.0
149.05952	22.3
150.06313	0.9
151.03889	2.3
151.07542	2.7
152.04565	1.7
153.05446	6.6
153.09096	5.1
157.06511	2.4
158.07147	0.9
159.08032	2.4
161.05968	7.0
162.03253	1.0
163.04004	1.0
163.07512	6.8
165.05455	1.4
167.07011	27.8
169.04944	3.1
171.06479	5.1
173.05946	4.1
175.07545	3.6
177.05443	16.8
178.06300	1.3
179.07024	1.8
179.08607	0.9
181.04929	82.7
181.08447	10.2
182.05315	1.3
185.05992	1.1
186.06816	1.8
187.07463	2.9
189.09102	1.0
191.07004	26.9
193.08578	2.8
195.06511	2.9
201.05510	1.7
203.07016	3.5
205.08545	2.1
207.06488	2.3
207.10097	2.3
209.08060	100.0
210.08395	2.8
213.05270	1.1
217.08600	1.9
219.10149	2.7
221.08057	1.3
229.06996	1.6
232.07246	1.9
233.08064	3.5
234.20966	0.8
235.09543	5.9
245.08044	1.0
263.09119	27.3
275.23557	1.5
279.10330	1.0
284.54947	1.0
287.05463	2.1
288.05826	1.8
293.07809	1.0
295.09604	1.1
321.24030	1.4
357.13229	1.8
363.51044	0.9
371.15048	1.3
385.12628	4.8
399.14450	4.4
417.15381	35.2
418.15952	1.1
442.65433	0.8
609.23328	1.0
643.63440	1.0
775.76355	0.9
824.32935	6.9
835.79022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	0.3
68.05050	0.4
69.03418	0.6
70.06583	100.0
71.06914	1.0
76.11359	0.2
81.03406	1.6
81.07063	0.3
82.44711	0.3
85.02913	0.5
91.05471	0.4
97.02880	0.6
103.05476	0.3
105.07031	0.3
109.02866	4.5
112.07590	82.5
113.07943	1.4
113.08561	0.2
114.05486	0.4
116.07088	2.1
119.04897	0.3
121.02853	0.7
122.03599	0.3
125.06020	0.3
127.03903	1.3
131.04898	0.3
134.75615	0.2
137.05946	1.2
140.07045	48.8
141.07362	0.9
145.02838	0.3
149.05956	0.3
151.07521	0.8
158.08104	10.0
161.05959	0.5
163.07518	0.3
167.07016	0.8
175.07404	0.3
175.58652	0.2
177.05470	0.7
177.09062	0.8
200.09207	0.6
206.40637	0.3
209.07977	0.3
212.09109	0.5
213.15910	0.3
230.10196	0.9
242.10303	0.6
251.77435	0.2
266.10196	3.9
272.11221	0.4
284.11255	19.2
285.11459	0.8
287.05383	0.2
287.13016	0.3
302.12311	8.2
318.11896	0.5
331.15295	0.8
343.15182	0.9
421.16315	0.8
428.15536	0.3
464.17545	0.3
588.54596	0.3
632.26624	1.2
824.36011	0.9
834.05542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63962	2.4
59.04996	3.2
60.24851	1.7
61.02914	7.4
64.15948	2.0
65.03925	5.4
67.05495	85.8
68.06297	2.2
69.03425	14.3
69.07050	20.2
69.09299	1.8
71.01344	3.6
71.04990	11.3
73.02915	9.4
75.00069	1.8
77.03937	1.8
79.05480	73.1
80.06271	2.8
81.03404	92.9
81.07046	80.8
82.07378	4.0
83.04968	33.3
83.08613	39.1
85.02895	30.6
85.06552	6.0
87.04472	3.1
91.03983	2.5
91.05470	80.9
92.05850	1.9
93.07031	51.2
94.04195	3.6
94.07336	2.2
95.04955	55.1
95.08594	28.2
96.05757	5.2
97.02892	9.0
97.06539	11.3
97.10146	18.9
99.08059	2.4
103.05497	3.2
105.03399	9.3
105.04488	3.6
105.07015	44.7
107.04935	22.5
107.08578	30.2
109.06499	26.6
109.10148	37.7
111.04429	6.2
111.08077	19.7
113.06010	3.5
115.05416	4.5
116.04688	13.9
116.32631	1.9
117.07009	15.4
119.08559	44.3
121.06495	8.3
121.10127	23.9
123.04442	3.7
123.08059	14.8
123.11671	4.3
125.09612	18.8
125.17056	1.7
127.11174	2.0
128.06274	2.9
129.05464	36.9
129.06963	23.0
130.07784	2.0
131.08559	24.7
133.06490	8.2
133.10100	24.1
135.07979	9.2
135.11655	5.8
137.09557	8.9
138.10367	2.1
139.11079	2.2
142.07762	4.6
143.07054	12.3
143.08536	5.9
145.06470	4.1
145.10088	14.6
147.07985	13.2
147.11646	23.2
149.09613	18.4
151.07523	3.4
151.11179	3.1
153.09109	3.5
155.08554	3.2
155.10666	5.2
157.08603	19.6
157.10130	22.4
158.05731	1.9
159.08035	4.2
159.11729	5.6
161.09621	9.2
163.07545	3.1
163.11150	10.6
165.09100	2.7
165.12755	5.7
167.08609	3.1
171.10207	4.4
171.11702	5.5
173.11755	13.3
175.11148	25.6
177.12572	2.3
183.05670	2.6
183.81226	2.0
189.11162	4.6
189.12773	2.8
193.12213	76.3
197.07344	2.5
199.13234	11.1
199.14870	2.5
200.14008	3.3
211.13261	100.0
213.12669	2.0
221.11877	2.2
227.12770	7.2
229.14235	12.1
267.15875	39.2
271.16904	4.3
273.18439	12.9
279.15509	2.1
283.15424	7.3
285.16913	76.9
289.17889	7.0
291.19543	6.0
301.16440	7.7
307.14871	2.0
309.16116	3.5
325.15662	6.3
333.20404	2.2
347.22217	4.0
383.19791	6.8
399.19244	17.5
401.20157	6.1
409.25845	3.9
417.20328	63.0
421.25586	3.1
422.27173	2.2
427.26978	5.0
439.26907	38.6
555.32983	10.3
573.34161	3.3
575.31378	3.9
591.30591	10.2
593.32172	7.3
609.31458	21.1
627.32764	51.1
628.33105	2.7
720.35889	6.7
823.50452	3.7
824.39099	8.2
824.51331	2.1
825.41937	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	824.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
62.30865	1.4
65.03924	3.9
67.05497	36.7
69.03424	5.0
69.07059	22.0
69.31561	1.4
71.04991	4.7
76.81424	1.5
79.05481	45.0
81.03422	8.5
81.07047	100.0
83.04984	6.7
83.08615	14.9
85.02907	2.3
91.05470	36.9
93.07038	31.9
95.04956	16.4
95.08597	26.7
97.02885	4.7
97.06527	8.3
97.10164	4.6
99.08128	1.7
105.03351	1.4
105.07026	23.0
107.04951	15.3
107.08583	19.8
108.73068	1.5
109.02894	6.4
109.06506	46.4
109.10133	12.1
111.04379	2.2
111.08101	6.3
115.05460	2.6
117.06989	15.4
119.08559	23.9
121.06496	7.8
121.10137	11.2
123.04398	3.6
123.08043	8.4
125.09599	7.1
128.06229	1.7
129.06999	3.7
131.08568	12.6
133.06493	4.1
133.10121	14.6
135.04439	2.0
135.08028	20.2
135.11684	3.7
137.05841	1.8
137.09605	12.1
141.07019	2.7
143.08556	4.8
145.06433	4.3
145.10085	10.0
147.08032	4.4
147.11668	3.8
149.09605	15.3
151.07535	4.7
151.11192	5.0
153.09102	3.2
155.08516	2.6
157.10147	3.6
159.08070	5.5
159.11734	4.5
160.54756	1.4
161.09572	9.7
161.13197	2.0
163.07529	6.9
163.11145	7.8
165.09138	5.0
168.64917	1.8
169.10153	4.0
171.08061	2.1
171.11647	2.1
173.09647	6.3
173.13264	2.1
175.11221	2.4
177.09164	2.1
179.10641	8.2
183.10141	2.1
187.11198	3.2
189.09129	2.4
189.11255	2.8
191.10619	3.6
193.12326	2.1
201.16371	3.9
207.10207	2.0
215.14491	2.3
219.17427	3.8
229.15913	3.4
243.17415	7.8
247.16933	17.3
261.18405	3.7
265.18008	6.4
267.15945	3.7
271.16788	8.5
275.20044	5.5
289.17935	26.9
307.19089	2.1
321.20535	23.1
335.18442	2.1
339.21591	20.2
349.23746	5.6
353.19464	4.8
363.21613	43.4
364.21783	2.3
385.21362	1.8
428.06396	1.4
473.28830	3.4
485.28809	2.5
577.32440	4.6
591.36218	4.2
609.37762	57.2
610.37726	5.1
627.38867	73.3
628.39520	4.8
824.36572	3.0
824.49347	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	5.3
67.05496	35.1
69.03432	4.9
69.07056	18.8
71.04967	7.0
71.20754	3.5
71.43824	3.0
76.65490	3.1
78.80202	3.3
79.05479	58.0
81.03410	11.0
81.07048	100.0
83.04969	14.0
83.08604	16.6
85.02866	8.4
85.06512	4.4
85.51809	2.8
91.05463	44.7
93.07025	34.4
95.04951	46.4
95.08581	25.4
97.02843	3.9
97.06522	7.5
97.10155	5.0
99.04428	4.0
105.03371	6.9
105.04480	4.4
105.07017	30.9
107.04917	18.0
107.08578	24.7
109.06503	46.4
109.10154	7.5
110.06795	3.7
111.04427	6.9
111.08082	5.6
115.05475	3.5
117.07001	21.9
119.08565	26.3
121.06482	8.1
121.10131	10.7
123.08062	16.5
125.09621	5.4
126.98656	3.1
128.06204	3.4
129.06981	8.9
131.08521	20.3
133.06499	5.9
133.10095	18.4
135.08043	15.3
135.11719	4.3
137.05904	3.1
137.09654	4.2
141.07039	4.6
142.68001	3.2
143.08528	10.9
145.06493	4.9
145.10147	24.4
147.08031	13.2
147.11674	4.7
149.09558	18.9
151.07503	10.3
151.11162	3.6
153.09082	3.9
155.08553	7.0
157.10098	7.0
158.74034	3.0
159.08054	6.7
159.11626	8.8
161.09630	6.8
163.07550	5.0
163.11130	20.9
165.09068	4.1
165.12744	3.6
169.10107	5.5
171.11812	4.1
173.09605	5.3
173.13237	7.9
187.14828	5.2
189.11163	3.4
191.10590	4.1
197.13252	8.3
199.14810	9.3
201.16220	3.7
211.09610	5.3
215.14256	29.9
217.15834	3.7
223.13245	16.2
227.12761	3.2
233.15445	3.8
243.13763	10.2
247.16873	3.7
257.18896	4.6
261.14798	11.0
275.20010	33.4
283.15356	3.7
289.17966	6.9
293.20956	17.9
321.20566	10.5
335.18478	43.6
349.23642	20.7
363.21555	6.1
367.24506	20.8
419.21973	4.0
485.28836	3.7
499.31451	3.7
503.30356	3.9
529.31378	5.2
591.36676	7.9
609.37897	29.3
627.39020	39.6
628.38129	3.9
656.32385	4.2
824.34076	6.7
824.46619	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	824.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35333	0.6
61.02919	6.5
65.03929	1.1
67.05502	13.3
68.05021	4.2
69.03423	5.9
69.05806	1.7
69.07066	5.2
70.06590	15.0
70.06976	0.8
71.01350	1.0
71.04967	1.5
73.02901	6.6
73.03208	0.6
73.13380	0.7
79.05485	14.5
80.05008	7.1
81.03398	5.8
81.07047	17.9
81.07493	1.2
82.06570	11.2
83.04992	2.0
83.08624	3.0
84.08132	4.7
85.02893	6.7
87.04472	0.8
89.99778	0.7
91.03950	3.6
91.05461	8.9
93.07033	11.1
94.06583	1.9
95.04967	5.3
95.08595	8.4
96.04490	0.9
96.08112	5.9
97.02887	6.7
97.06541	2.2
97.10204	0.8
98.06022	1.1
98.09691	0.7
99.04490	1.1
101.02383	2.4
103.95004	0.7
105.07019	5.9
106.06559	2.3
107.04971	2.0
107.08584	7.9
108.08086	1.2
109.02937	1.6
109.06525	3.0
109.10121	3.8
110.06052	0.7
110.09725	0.9
112.07610	0.8
115.03922	0.9
117.07034	2.2
118.06554	1.6
119.08598	5.3
120.08092	0.9
121.06519	1.0
121.10145	5.3
123.08089	1.4
124.07559	3.4
125.09653	1.6
126.09163	2.3
127.03918	1.7
128.35417	0.8
129.07077	1.4
131.08560	4.2
133.06529	0.8
133.10135	2.6
134.49142	0.6
135.08081	1.3
135.11705	3.2
136.07617	1.3
137.09592	0.9
138.05475	1.3
143.08618	0.9
145.10120	3.6
147.11705	1.8
149.09669	2.1
157.10100	1.0
159.11717	2.0
161.13280	1.0
163.11217	1.7
173.09714	0.9
173.13350	1.4
184.07373	1.0
188.14388	1.4
206.15472	2.2
208.17085	1.3
216.13892	2.6
217.15968	1.0
226.17940	0.9
234.14848	12.8
236.16435	11.8
243.13803	0.8
247.16875	1.1
250.18085	1.7
252.16045	2.3
254.17479	13.2
267.15829	3.7
275.20099	2.4
278.17578	2.8
290.17807	0.8
292.19229	0.9
296.18661	3.1
308.18521	1.3
310.20239	1.9
319.79733	0.7
326.19727	1.3
328.21332	3.0
335.18460	1.0
335.25894	2.2
340.68579	0.7
349.23898	2.2
367.24808	1.3
381.22684	0.9
385.21408	1.9
577.32861	1.6
586.40826	7.5
588.42499	10.3
609.37982	1.0
627.38629	3.7
630.43835	4.2
748.45996	2.1
792.48822	100.0
793.49231	7.1
824.51703	1.2
825.40906	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	3.3
59.74964	2.5
65.03937	4.8
66.29071	2.2
67.05494	100.0
69.03409	5.0
69.07054	27.1
71.04974	4.3
74.43353	2.0
79.05485	64.9
81.03438	6.1
81.07050	83.2
82.94965	2.2
83.04977	7.8
83.08605	15.5
85.02876	5.7
85.06527	4.5
86.98870	2.0
91.05473	53.2
93.07033	69.0
95.04961	20.4
95.08598	54.1
97.02840	3.5
97.06512	6.8
97.10165	10.3
98.22579	3.1
105.04524	3.1
105.07027	48.9
107.04945	6.3
107.08578	50.7
109.06512	6.8
109.10146	39.4
111.08051	5.3
116.00911	2.2
117.07015	14.1
119.08575	36.2
121.06495	3.1
121.10122	30.2
123.08054	3.0
123.11718	6.3
125.09623	9.9
127.03951	2.6
129.06992	6.3
131.08562	22.1
133.10121	21.5
135.08046	5.3
135.11674	17.9
137.09566	4.3
137.13187	2.4
143.08548	8.1
145.10104	20.5
147.11691	17.9
149.09636	7.7
149.13220	7.4
151.11179	3.3
157.10153	5.0
159.11655	17.4
161.13234	9.6
163.11174	7.5
163.14777	2.9
169.10101	2.4
171.11652	7.1
173.11841	2.8
173.13252	7.2
175.14810	3.6
177.12711	3.8
183.11613	3.4
185.13242	6.6
187.14801	8.2
189.11203	5.3
193.14816	2.4
199.14713	3.0
205.15871	4.5
217.19720	2.6
219.17546	3.2
223.13258	4.7
227.12782	8.8
229.14374	12.2
241.19507	3.7
257.19049	6.4
259.20535	10.2
261.22107	13.5
275.20084	26.6
277.21552	7.1
293.21149	8.5
333.24100	8.4
335.25775	61.6
349.23660	20.5
351.25223	11.6
358.36465	2.4
367.24823	3.4
409.43124	2.5
489.35785	19.6
529.38800	3.0
609.45044	23.6
627.46179	10.9
746.47943	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	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54206	7.8
65.03918	7.4
67.05494	49.1
69.07073	18.4
70.69310	15.7
70.70226	6.8
72.59630	7.2
79.05475	63.0
81.07042	58.0
83.08610	13.3
88.23577	7.7
91.05455	52.0
93.07030	51.5
95.04961	13.3
95.08614	40.8
97.06516	9.0
97.10217	7.8
105.07022	46.5
107.04951	8.4
107.08577	31.7
107.09680	7.5
109.10114	12.4
117.07001	26.3
119.08595	53.0
121.10098	20.8
129.07001	12.1
131.08565	33.7
133.10127	36.5
134.79689	7.2
135.11639	10.9
143.08554	25.8
145.10112	31.0
147.11661	15.5
155.08516	8.8
157.10175	14.7
159.11742	10.4
169.10091	13.3
170.49527	8.3
173.13214	11.9
183.11600	15.9
184.07375	10.1
185.13225	9.6
197.13382	11.3
204.31322	7.8
209.07860	6.9
209.13217	11.4
213.16364	9.8
335.25668	11.6
500.34125	7.8
504.37781	7.5
517.40192	17.0
591.43878	16.0
609.44989	100.0
824.49536	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	824.5504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.0
61.02913	1.5
65.03928	3.0
67.05495	63.0
69.03416	3.8
69.07059	23.1
71.04991	4.3
79.05481	48.3
81.03404	3.9
81.07046	59.0
83.04968	6.3
83.08607	18.5
83.10331	0.8
85.02897	3.9
85.06532	2.7
85.24200	0.8
91.05465	32.9
93.07033	49.5
95.04959	31.2
95.08594	45.8
97.02882	2.3
97.06523	6.8
97.10155	11.1
98.23480	2.3
99.04439	2.0
99.08090	2.3
99.99292	0.9
103.05457	1.5
105.04497	2.4
105.07014	32.5
105.97890	0.9
106.07359	1.2
107.04926	6.5
107.08578	39.0
109.02831	1.0
109.06529	8.4
109.10145	23.4
111.04414	4.8
111.08050	5.7
111.39883	0.9
113.06030	0.9
115.05491	1.1
117.06998	12.1
119.08562	26.0
121.06485	2.6
121.10128	27.1
123.08035	4.7
123.11706	7.0
125.09595	10.1
127.03915	1.5
129.07014	4.8
130.07825	0.9
131.08545	19.2
133.10117	16.0
133.10989	0.7
134.22156	0.9
135.08052	3.8
135.11676	15.3
137.09608	3.6
137.13213	1.0
139.11235	0.9
141.07048	1.1
143.08502	4.0
144.09221	1.1
145.10095	22.8
147.08038	2.5
147.11668	14.2
149.09593	14.1
149.13214	6.4
151.11185	2.9
153.09050	1.5
155.08455	1.5
157.10110	4.3
159.11674	15.1
161.09627	2.0
161.13226	6.3
163.11159	13.6
163.12427	1.2
163.14803	3.1
165.12744	2.6
169.10152	2.8
171.10315	1.4
171.11688	4.8
173.11790	1.9
173.13249	7.5
175.14818	2.9
177.12744	3.3
177.16399	1.0
179.14285	1.2
181.12172	1.6
182.60910	1.0
183.11626	2.2
185.13240	4.1
187.11171	2.1
187.14844	1.9
189.11224	7.6
189.12697	1.4
191.14330	1.5
197.13254	2.6
199.14735	1.3
201.16461	1.4
203.14243	1.2
205.12239	2.6
211.14809	1.9
213.16418	0.9
215.14218	1.0
219.13689	0.9
219.17496	2.4
223.13261	16.8
227.12764	8.1
229.14374	3.1
229.19502	2.5
233.18939	1.0
239.17896	3.7
243.20972	2.4
247.20624	2.4
255.15862	1.4
257.18970	10.7
259.20584	1.8
261.22134	7.4
267.15857	2.3
269.17441	2.1
275.20010	49.5
293.21048	15.7
308.56494	1.2
309.20941	1.2
317.24774	3.3
331.22708	2.1
333.24280	2.5
335.25754	100.0
336.26132	4.1
349.23660	29.6
350.23959	1.0
367.24701	21.6
479.09555	1.0
489.35764	6.5
505.34619	2.1
513.38721	1.0
515.36987	2.1
529.38873	4.2
569.41589	3.1
609.45032	34.8
610.45343	1.8
627.46088	43.8
628.46497	4.5
681.18951	1.0
824.51422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	1.5
61.02922	2.9
64.31158	1.0
65.03936	3.8
67.05497	89.8
68.05824	1.1
69.03427	8.3
69.07059	27.8
69.55630	1.1
69.97516	2.8
71.01371	1.5
71.04997	5.8
73.02898	1.8
75.66421	1.0
77.03904	1.6
79.05486	68.7
81.03413	8.7
81.07050	82.9
81.21378	1.0
82.15056	1.1
83.04986	9.5
83.08609	14.0
85.02903	4.8
85.06534	3.9
91.03929	1.4
91.05470	53.0
93.07033	69.2
95.04957	15.1
95.08597	58.8
97.02893	3.5
97.06513	12.1
97.10162	5.2
99.04503	1.8
99.08083	2.6
105.04509	3.0
105.07019	38.9
107.04937	5.6
107.08585	41.2
109.02903	1.7
109.06510	6.2
109.10148	27.4
111.04427	1.7
111.08079	3.5
115.05447	3.0
115.07566	1.4
117.07010	20.2
119.08567	30.7
121.06503	2.6
121.10123	30.2
123.08050	3.9
123.11675	6.5
125.09621	3.4
127.03934	2.6
127.07543	1.2
128.06184	1.9
129.05479	2.5
129.06953	7.4
130.07776	1.7
131.08549	26.9
133.06534	1.3
133.10103	28.4
134.10475	1.0
135.08066	2.8
135.11661	18.0
137.09618	3.1
137.13191	1.9
139.11127	2.3
141.06984	1.7
142.07719	1.6
143.08545	4.7
145.04988	1.2
145.10107	19.6
147.08037	1.9
147.11664	14.2
149.09590	8.8
149.13246	13.5
151.11240	1.0
155.08496	2.1
157.10086	6.7
159.08102	1.3
159.11688	15.0
161.13248	10.0
163.11183	6.1
163.14836	3.2
165.12851	1.0
169.10101	1.3
171.11690	6.5
173.04509	2.0
173.11819	2.0
173.13223	11.2
175.11179	1.2
175.14841	4.4
177.12753	4.1
183.11729	3.5
184.07184	1.3
185.13248	4.1
187.14796	3.9
189.16412	2.1
195.11969	1.0
195.13785	5.7
197.13251	3.2
199.14803	3.7
201.16379	2.7
203.14473	1.1
217.15822	3.1
219.17368	3.5
227.12680	1.3
227.18069	1.2
229.14217	7.0
229.19467	1.2
233.15401	1.8
235.16927	2.1
239.17979	2.8
243.21097	2.9
247.20532	1.4
255.15799	4.9
257.19031	7.8
259.20599	3.4
261.14954	1.4
261.22095	9.7
267.15939	2.5
269.17422	18.3
275.20010	27.3
275.22900	1.9
276.20386	1.2
277.21661	2.0
291.19446	2.4
293.21103	3.7
309.20520	8.7
317.24719	2.7
331.22604	2.0
333.24213	2.3
335.25757	100.0
336.26117	3.5
349.23672	19.8
350.23767	1.3
351.25412	2.9
367.24756	4.7
413.21735	1.9
431.31805	1.3
437.34283	1.8
478.89987	1.3
489.35590	4.7
515.37280	7.4
529.38837	44.4
530.39398	2.8
537.48901	1.2
543.40216	4.2
551.41058	1.6
569.41992	20.4
570.42639	1.3
609.45087	22.4
610.44403	2.3
627.46136	5.5
825.47339	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	824.55
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66074	0.7
61.02917	3.1
64.55470	0.8
65.03921	4.3
65.27640	0.8
67.05495	72.7
68.05817	1.3
69.03420	4.1
69.07057	26.1
71.04976	3.3
77.03909	1.0
78.59306	0.7
79.05480	51.3
81.03401	3.4
81.07043	100.0
82.07375	2.4
83.04960	5.6
83.08605	13.3
85.02886	3.0
85.06525	2.7
91.05466	36.5
93.07030	52.0
94.07364	1.4
95.04949	12.5
95.08591	48.9
96.08895	1.0
97.02854	2.4
97.06513	8.1
97.10163	3.7
98.23531	1.0
99.08068	3.0
103.05428	1.2
105.04507	2.6
105.07008	28.9
107.04931	5.9
107.08578	29.1
108.08906	1.1
109.06497	17.4
109.07211	1.2
109.10139	20.7
111.08057	3.7
117.06997	12.0
119.08562	23.7
121.06497	3.0
121.10120	26.8
123.08075	6.1
123.11691	7.7
125.09607	2.6
127.07513	1.3
129.07001	3.9
130.07811	1.1
131.08542	15.9
133.06502	1.3
133.10103	17.5
134.10497	0.9
135.08069	4.8
135.11671	12.5
137.09563	2.0
137.13213	2.2
141.06946	1.6
143.08531	3.6
145.10095	11.6
146.10555	0.8
147.08037	1.6
147.10538	1.7
147.11655	15.0
149.09604	6.4
149.13234	8.8
151.11137	2.3
155.08545	1.4
157.10143	3.7
159.08034	0.9
159.11650	6.3
161.09659	1.0
161.13202	5.4
163.11179	4.8
163.14767	2.5
165.12752	4.2
169.10098	1.6
171.11673	3.1
173.13235	5.7
175.11137	1.6
175.14790	1.9
177.12660	1.3
179.14256	0.9
183.11679	1.2
184.07356	1.6
185.13264	1.4
187.11165	1.3
187.14809	2.2
189.16356	1.2
194.76189	0.9
197.13124	1.1
201.12704	1.4
201.16452	0.9
211.14964	1.0
247.20518	2.5
257.18964	2.5
261.22171	4.0
269.17303	1.4
275.20038	15.3
283.46786	0.8
291.19556	1.7
292.19797	1.4
293.20923	2.2
309.20718	0.7
317.24670	1.0
335.25751	48.0
336.26096	2.6
349.23715	8.7
367.24673	10.0
529.38940	1.9
609.45184	13.9
627.46063	14.7
628.46265	1.1
763.24939	0.9
824.51642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36172	1.0
65.03918	3.6
67.05494	69.5
69.03419	2.4
69.06702	1.4
69.07059	19.2
71.04978	2.7
77.03931	1.0
79.05478	52.0
81.03410	4.8
81.07042	61.1
83.04965	11.8
83.08611	20.6
85.02894	4.1
85.06518	2.3
91.05463	34.0
93.07030	55.8
95.04952	45.1
95.08590	44.5
97.02882	1.6
97.06493	7.0
97.10144	10.0
97.95515	0.9
99.04423	3.1
100.59810	0.8
103.05457	1.5
105.04484	3.0
105.06466	0.6
105.07010	28.5
107.04945	8.5
107.08575	31.5
109.06512	7.6
109.10136	17.5
111.04420	7.4
111.08074	6.2
117.07014	11.8
119.05997	1.2
119.08569	25.4
121.06503	4.0
121.10121	26.5
123.08047	6.4
123.11683	3.8
125.09607	6.8
128.06206	1.2
129.06989	3.0
130.07790	1.4
131.08546	16.9
132.08850	1.0
133.10110	14.0
133.11044	1.8
135.08023	4.3
135.11661	12.4
137.09619	1.8
137.13324	1.1
139.11165	1.8
141.06989	1.2
143.08496	2.9
145.10103	16.4
147.08014	2.2
147.11618	8.7
149.09599	15.6
149.13228	3.0
151.11165	1.4
155.08496	2.1
157.10117	3.7
159.11639	9.7
161.13219	4.4
163.11153	18.7
163.14763	1.9
165.12750	2.8
169.10037	3.3
171.11656	3.7
173.09615	1.2
173.11896	1.2
173.13173	4.8
175.11235	2.2
175.14841	2.3
177.12679	1.7
183.11635	1.7
185.13252	1.8
187.11139	1.8
187.14804	2.0
189.11182	7.4
189.12654	1.4
191.14252	1.1
193.12219	1.5
197.13232	1.7
205.12173	2.8
207.13821	1.1
223.13242	20.8
227.12706	2.1
229.19479	2.0
239.17969	2.6
243.20964	1.3
247.20569	1.6
255.11247	1.1
257.18973	6.9
261.22119	5.2
267.15897	0.9
275.20023	39.1
293.21045	21.3
311.27899	0.9
317.24530	1.4
331.22501	1.3
335.25739	100.0
336.26053	4.7
345.39957	1.1
349.23730	15.2
367.24734	26.3
388.11340	0.9
609.45062	21.3
610.45105	1.7
627.46075	62.5
628.46368	5.8
842.79822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73189	0.1
65.03944	0.1
67.05505	0.1
69.07054	0.2
69.33047	0.2
69.33443	0.3
70.06229	0.2
70.06585	2.3
71.06921	0.1
79.05477	0.1
80.05003	0.1
81.07041	0.3
83.08594	0.2
85.02906	0.1
91.05473	0.3
93.07038	0.2
94.06544	0.2
95.08581	0.3
96.08133	0.1
100.07581	0.1
100.11243	1.4
105.07008	0.5
107.08591	0.2
108.08051	0.2
109.02835	0.1
111.04415	0.2
112.07581	1.6
117.07014	0.1
119.08578	0.2
121.02846	1.7
121.10143	0.2
125.06258	0.1
127.03950	0.1
129.06989	0.2
131.07396	0.1
131.08513	0.2
132.08051	0.1
133.10075	0.2
134.09642	0.1
136.11067	0.1
139.08595	0.1
140.07051	1.4
141.06911	0.2
143.07413	0.2
143.08557	0.4
144.08051	0.9
145.02907	0.1
145.06464	0.2
145.10143	0.3
147.08049	0.1
155.08511	0.1
157.06459	0.2
157.10112	0.2
158.08087	0.3
158.11638	0.1
159.08057	0.1
159.11688	0.2
160.07544	0.7
162.09117	0.5
166.68076	0.1
167.08511	0.2
169.10110	0.3
171.11694	0.1
172.11165	0.1
177.05461	0.2
179.08493	0.2
181.10088	0.3
182.15387	0.5
183.11620	0.2
193.10123	0.4
195.11636	0.1
197.13136	0.1
205.10089	0.2
206.10840	0.1
207.11661	0.4
209.13324	0.1
209.16356	0.6
210.14908	0.7
211.11406	0.1
219.11713	0.1
221.13283	0.1
223.14709	0.1
226.19116	0.3
228.15912	0.1
230.10912	0.1
235.14746	0.1
237.16280	0.2
239.17848	0.1
244.12444	0.1
249.16396	0.5
257.08087	0.1
259.14996	0.1
266.18997	2.4
267.17285	0.2
276.17468	0.4
277.15930	0.1
284.11288	0.3
284.20105	0.1
294.18472	3.8
312.19522	6.4
313.19962	0.3
336.22726	0.2
354.20499	1.1
372.21628	100.0
373.21967	5.0
435.33417	0.4
453.34299	6.7
454.34543	0.4
824.36859	1.1
825.36499	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	825.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.7
59.82116	0.6
60.34614	0.5
61.02919	3.2
67.05499	3.3
69.03412	3.4
69.07069	1.9
71.01344	0.9
71.05006	0.9
72.82916	0.5
73.02917	2.5
79.05490	3.8
81.03413	5.9
81.07050	3.6
83.04997	0.7
83.08625	1.7
85.02893	3.7
91.03957	2.7
91.05460	3.7
93.07036	3.0
95.04965	3.1
95.08614	1.7
97.02872	3.8
97.06541	0.8
97.10172	0.9
98.22593	1.2
99.04469	1.0
101.02372	1.0
103.88751	0.5
105.03378	5.0
105.07009	3.1
107.04946	1.2
107.08627	1.9
109.02865	1.3
109.06490	0.5
109.10139	0.7
111.08102	0.9
114.77199	0.6
117.07021	0.6
119.08599	1.7
121.10182	2.4
127.03928	1.1
129.07069	1.0
131.08606	2.0
133.10185	2.0
134.45422	0.5
135.08104	1.1
147.11685	1.1
149.09666	1.8
157.10225	0.9
157.28387	0.6
171.70036	0.6
175.11261	0.8
193.12317	1.5
203.05447	1.0
214.92560	0.6
225.14990	1.0
243.08336	4.5
247.17151	0.6
249.48550	0.6
267.15933	1.0
283.15338	2.5
315.10587	0.7
339.17853	1.2
347.18567	0.8
403.20859	0.8
431.40591	0.6
439.19516	0.8
469.20361	0.8
499.22235	0.6
501.22980	13.8
502.23636	1.1
524.98871	0.7
565.26086	4.6
596.83917	0.7
682.26617	2.1
804.35663	0.6
825.42212	100.0
826.42157	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	825.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.1
62.28917	0.3
64.31190	0.3
67.05501	3.9
69.03433	2.0
69.07059	1.5
70.05386	0.9
71.01371	0.4
71.04984	0.5
73.02911	2.4
79.05480	2.8
81.03426	1.5
81.07052	4.3
81.07497	0.4
83.04975	1.0
83.08620	0.9
85.02902	4.0
86.09694	0.3
88.25545	0.3
91.03956	2.1
91.05473	2.9
93.07033	3.9
95.04980	1.1
95.08595	2.5
97.02886	3.0
97.10181	0.4
99.04476	0.8
101.02398	1.1
105.07038	2.8
107.04976	1.1
107.08587	2.5
109.02911	0.7
109.06526	1.5
109.10168	1.4
111.04448	0.5
117.07023	1.0
119.08581	2.5
121.06523	1.6
121.10152	1.9
123.08087	0.5
123.11724	0.7
127.03922	1.2
131.08557	2.7
133.06575	0.5
133.10121	2.7
135.08040	0.6
135.11728	1.1
137.09630	0.5
143.08606	0.7
145.10066	2.3
147.08095	0.5
147.11667	1.7
149.09665	1.1
149.13249	0.4
151.11218	0.5
155.08591	0.4
157.10188	0.6
159.08101	0.6
159.11742	1.3
161.09592	0.6
163.11208	1.4
165.32846	0.4
173.09650	0.7
173.13310	1.2
175.11258	0.4
177.12772	0.7
183.11737	0.5
184.07408	0.6
185.04266	0.6
187.11273	0.5
191.14343	0.7
201.12759	0.7
203.05315	0.5
207.13820	0.7
215.14294	0.4
219.13849	0.5
229.19467	0.4
243.08386	3.2
247.20564	0.6
254.54297	0.4
257.19040	1.8
275.20032	6.2
275.22809	0.4
276.20483	0.5
276.46399	0.3
277.28522	0.3
315.19257	3.1
371.22067	1.4
533.27191	20.6
533.79956	0.4
534.27673	1.2
663.42169	0.5
825.47443	100.0
826.47778	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	825.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
65.63983	0.7
66.83906	0.7
67.05502	2.7
69.07085	0.9
75.13126	0.8
79.05497	2.6
81.07059	3.2
81.18121	0.7
83.08595	1.0
86.09724	0.9
91.05488	2.4
93.07036	1.9
93.50842	0.8
95.04951	1.0
95.08599	1.4
105.07008	1.6
107.08592	1.1
108.14104	0.9
111.60839	0.8
119.08605	1.7
121.10131	1.1
123.08105	0.9
145.10126	0.9
149.82240	0.7
184.07349	4.2
231.28705	0.8
257.17465	0.8
307.22922	1.4
363.39639	0.7
389.23141	2.2
407.97171	0.7
459.23602	2.1
477.24664	2.8
483.40036	0.8
511.44592	0.8
512.30157	0.9
533.27374	1.6
605.29657	1.1
825.47375	100.0
826.47656	11.1
837.37726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	0.7
58.55632	0.7
67.05473	1.4
70.06587	0.9
70.57561	1.0
70.57888	1.0
72.04486	0.8
77.03926	3.3
79.05479	2.3
81.03404	1.2
81.07051	1.9
83.08574	0.8
84.81918	0.7
85.02896	1.2
87.97746	2.3
91.05463	2.8
93.07043	1.4
95.04956	23.1
95.08588	1.1
96.08102	0.9
105.03381	100.0
105.04408	9.1
105.07011	3.8
106.03733	1.0
107.08601	1.1
108.08103	1.2
109.10171	1.1
109.16665	0.7
110.06012	1.5
117.07001	1.9
119.04930	2.1
119.08600	1.2
121.10078	0.7
124.07599	1.8
127.03896	2.2
129.07016	1.5
131.08578	1.0
133.06485	0.8
143.07547	0.7
143.08603	1.4
144.08060	2.0
145.06494	2.2
146.09627	1.6
147.08054	1.1
148.07518	1.7
155.08557	1.4
157.08868	2.5
158.09575	1.3
160.07594	2.9
162.09209	1.0
165.07053	1.0
167.08582	1.0
172.07550	2.8
173.08383	2.7
174.09148	3.1
175.07578	0.9
178.07825	1.1
179.08542	0.9
180.09389	0.7
181.06496	0.9
181.10033	0.9
182.09653	0.7
191.08635	0.9
192.09369	2.3
193.10158	2.3
195.11708	1.0
198.09116	1.0
200.10622	1.0
202.07755	0.8
203.08553	1.8
204.09393	3.1
205.10120	1.6
206.10811	1.1
207.11697	2.7
215.08627	1.3
216.09367	3.1
217.10086	1.0
218.11179	0.8
219.08089	0.7
219.11658	4.5
228.10156	1.0
231.11713	2.3
233.09625	1.2
235.11229	1.4
245.12186	1.1
246.12740	1.4
247.11200	2.1
249.12756	0.9
257.11813	1.1
259.11194	1.8
260.14368	1.2
262.15814	2.1
264.13657	0.8
272.14386	2.0
274.12320	2.1
275.13263	1.2
278.15234	1.0
280.17157	0.8
288.13837	2.0
290.15329	8.8
300.12143	0.9
308.16473	3.2
318.14822	2.5
336.15897	2.2
384.23514	0.7
456.61188	1.6
457.11749	0.9
462.04163	0.8
470.20230	0.8
494.22031	0.9
500.20392	1.1
540.22241	0.7
704.26782	3.0
729.35980	0.9
757.68280	0.7
825.41437	1.0
826.30457	78.8
827.29987	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	826.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	0.6
59.42208	0.5
61.02915	6.7
65.03925	1.5
67.05493	17.0
68.05013	1.5
69.03416	10.8
69.05819	0.6
69.07056	4.7
70.02952	0.8
70.06581	8.8
71.01307	0.8
71.04980	99.8
71.18242	0.6
71.43944	0.6
72.04490	0.9
73.02892	4.9
79.05477	18.0
80.04997	1.0
81.03398	5.2
81.07041	17.9
82.06567	0.7
83.04973	2.4
83.08611	3.3
84.04515	0.6
84.08130	5.2
85.02888	7.3
85.06522	0.9
86.06052	6.6
87.04467	1.0
88.03988	4.7
91.03915	2.7
91.05468	9.6
93.07029	13.1
94.06559	0.7
94.81061	0.6
95.04945	6.7
95.08590	8.8
95.17029	0.6
95.57240	0.5
96.04513	0.8
96.08109	11.2
97.02886	6.2
97.06492	1.5
97.10151	5.1
98.06031	5.0
99.04442	0.8
101.02360	1.1
101.54138	0.5
102.05573	0.6
105.04501	1.0
105.07006	6.0
106.06544	1.8
107.04941	2.2
107.08566	9.3
109.02819	1.3
109.06499	2.8
109.10129	4.2
111.04433	0.7
111.07378	0.6
111.08076	2.4
112.07587	6.6
113.08393	0.8
114.05500	0.7
114.09159	0.7
115.05459	0.9
117.06989	4.0
119.08554	5.1
121.06491	1.0
121.10147	3.5
122.06040	0.7
123.08062	1.6
124.07563	5.1
125.09607	5.6
127.03915	1.6
129.05463	1.6
129.07002	1.5
131.08559	2.9
133.10126	2.0
135.08029	3.7
135.11678	2.6
141.07837	1.6
142.08635	7.6
145.10130	1.8
147.07999	0.6
147.11703	1.5
148.07448	0.6
149.09634	1.4
153.09103	2.4
157.08530	0.6
157.10138	1.1
158.08092	10.2
159.11809	1.0
161.13210	0.8
163.11169	1.1
170.08113	4.5
171.10263	0.8
173.13290	1.0
189.11259	1.5
191.10802	0.7
193.12312	1.1
227.12738	3.5
248.16513	0.7
252.15858	0.7
261.22070	0.8
267.15854	1.2
272.10098	0.5
273.18497	1.1
275.20117	1.4
283.15503	0.9
291.19550	1.6
293.21231	0.9
301.16370	0.9
321.20566	1.2
335.25690	8.1
347.22235	0.8
375.23441	0.6
611.40161	0.9
629.41364	0.7
646.43030	2.2
664.44299	2.1
722.38550	1.5
770.18774	0.7
826.49255	100.0
827.35205	2.3
827.49335	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	826.494
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
60.93721	0.7
61.02918	7.2
62.37673	0.8
65.03931	1.7
67.05498	19.4
68.05025	1.4
69.03421	8.9
69.07060	12.6
69.76794	2.3
70.02940	1.0
70.06582	6.9
71.01338	1.1
71.04984	96.7
72.05317	1.0
73.02904	4.8
77.03940	0.8
79.05484	23.8
80.05025	1.1
81.03408	4.8
81.07051	21.7
82.06597	1.0
83.04972	2.9
83.08609	5.1
84.04508	1.1
84.08136	4.7
85.02886	5.6
85.06561	1.0
86.06048	4.5
86.92320	0.7
88.03976	3.7
91.03956	3.2
91.05463	12.0
93.07036	14.7
95.04969	5.9
95.08598	9.2
96.08121	11.3
97.02882	6.3
97.06516	6.0
97.10146	6.0
98.06058	4.2
98.23421	0.8
98.44875	0.6
99.04422	0.9
101.02386	1.3
105.07012	7.4
106.06569	2.0
107.04953	4.7
107.08571	10.0
109.02893	1.9
109.06516	7.2
109.10131	3.7
111.04479	0.7
111.08098	2.5
111.51504	0.7
111.57851	0.7
112.07585	6.4
114.09200	0.8
115.03905	0.7
117.07025	4.4
119.08578	5.8
121.06509	1.4
121.10126	4.7
123.08082	2.3
124.07581	4.2
125.09648	5.0
127.03902	1.2
129.06993	1.6
131.08540	4.9
133.06502	1.0
133.10106	4.3
135.08046	3.7
135.11711	3.9
137.09610	1.1
140.14914	0.7
141.07840	1.0
142.08626	8.4
143.08565	1.1
145.10127	3.5
147.08041	1.0
147.11668	1.9
148.18483	0.8
149.09567	3.8
149.13275	0.9
151.11227	2.2
153.07990	0.7
153.09119	2.5
157.10144	1.7
158.08095	11.9
159.08093	0.9
159.11679	1.1
161.09671	1.1
163.11194	2.7
170.08173	2.9
171.10228	1.6
171.11719	0.9
176.05548	0.7
189.11241	2.7
191.10736	0.9
210.53775	0.9
219.17415	0.8
223.13272	0.8
227.12738	4.8
247.16994	2.3
248.16583	0.9
273.18546	2.8
283.15500	0.9
291.19467	5.9
309.20633	0.7
316.06754	0.7
321.20541	5.6
321.23679	0.6
335.25766	6.3
347.22061	1.3
365.23264	4.2
383.24463	2.1
461.29422	0.9
497.31628	0.9
502.23584	1.9
566.30292	1.0
593.38641	2.2
611.39331	6.1
629.40839	3.3
646.43341	1.0
660.33136	0.9
664.44250	3.3
708.73602	0.8
722.38538	0.9
826.49219	100.0
827.35181	4.4
827.50116	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	2.2
61.02920	9.3
65.03911	1.0
67.05496	50.2
69.03413	1.5
69.07016	3.8
69.07664	2.1
71.04984	1.6
71.08276	0.7
71.08628	12.7
73.02904	2.6
77.69891	0.6
79.05475	3.6
81.06618	1.1
81.07051	13.6
83.04967	0.8
83.08614	7.6
85.02468	0.9
85.02900	8.7
85.06516	1.6
85.10172	6.8
89.06025	1.4
91.03949	7.2
91.05457	4.5
93.07027	3.9
95.04930	1.2
95.08595	10.5
96.04461	0.6
96.45207	0.6
97.02884	4.6
97.10152	2.8
98.22629	1.3
103.07587	0.8
105.06989	1.4
107.08582	2.1
109.06480	0.6
109.10141	54.4
110.10487	1.1
111.08071	2.2
119.08555	3.5
123.11681	2.2
127.03947	3.7
133.10074	2.2
135.11633	0.9
137.09573	2.5
145.04955	3.2
151.07318	0.7
151.11165	1.4
155.10612	2.3
163.05978	4.3
173.11711	13.9
184.07344	1.9
229.14317	100.0
230.14661	2.3
239.23720	1.9
253.14388	4.3
257.24753	2.1
268.03854	0.7
299.14789	0.7
307.22598	2.0
313.27319	73.0
314.27753	3.2
467.37256	63.6
468.37390	4.2
629.40106	0.8
826.47546	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.6
65.37329	0.7
69.03418	29.9
70.06577	1.1
70.78332	1.1
71.04970	2.8
73.02911	8.4
81.03410	27.3
81.03889	1.3
81.07055	1.0
83.01332	2.3
85.02895	34.9
86.06036	1.3
97.02882	59.2
99.04437	13.2
102.66730	0.8
103.03909	0.7
109.02863	100.0
115.03916	4.5
115.42943	0.7
116.10703	3.0
121.02802	1.8
121.30142	0.7
126.34853	0.6
127.03899	56.9
128.04230	0.9
133.05070	0.7
139.03888	8.5
145.04935	9.6
147.04349	0.8
153.01746	1.4
157.04945	1.3
163.47096	0.8
165.01808	1.1
169.04950	21.3
175.06000	1.3
177.05460	1.6
187.05997	50.2
205.07069	1.0
229.07031	13.5
241.04747	0.9
247.08112	21.7
278.09305	0.8
287.05457	87.0
288.05875	2.2
325.14124	0.9
449.10770	16.1
450.11234	1.1
470.27216	0.9
488.28439	0.8
550.32031	1.3
634.61011	0.9
650.95984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	22.4
71.04959	0.7
73.02897	3.4
81.03401	10.7
82.46474	0.4
84.74426	0.4
85.02887	13.1
85.95088	0.4
97.02876	100.0
98.03202	1.2
99.04438	3.8
103.03925	1.6
109.02861	20.1
115.03910	21.9
121.02868	1.9
127.03894	22.5
133.02858	0.5
139.03876	18.1
145.04915	1.9
147.04338	0.5
149.12090	0.4
153.01801	1.8
155.56950	0.4
156.48921	0.5
157.04936	44.3
165.01814	1.2
169.04933	4.0
177.05386	0.4
183.02859	0.5
187.06004	5.2
199.05975	2.3
203.87459	0.4
213.05502	0.5
217.07053	4.8
229.06989	6.7
247.08040	4.2
258.05072	0.7
287.05441	60.6
288.05792	1.7
311.05493	0.8
329.06342	0.5
449.10699	6.7
611.15912	0.8
736.35187	0.4
809.86560	0.6
845.14148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	1.0
67.01857	0.2
68.99796	0.3
69.03419	5.4
69.18875	0.9
70.06567	0.3
71.04974	0.7
71.13077	0.2
73.02507	0.1
73.02902	3.3
81.03403	6.9
83.01321	0.2
84.04136	0.2
85.02892	4.4
88.50922	0.2
91.05458	0.3
95.04958	0.2
97.02878	24.7
98.03210	0.3
99.04431	1.8
103.03928	0.3
105.03371	0.3
107.04908	0.2
109.02863	10.7
111.00784	0.4
112.07608	0.3
115.03915	1.3
115.91566	0.2
121.02848	1.9
127.03901	12.2
133.02838	0.3
133.05008	0.4
137.02341	0.6
139.03885	0.5
145.02818	0.2
145.04953	1.0
147.04410	0.6
151.03906	0.2
153.01810	2.5
157.04854	0.3
165.01839	1.4
169.04968	1.5
177.05380	0.3
183.02884	0.5
185.05969	0.3
187.05983	6.4
189.05482	0.3
193.05099	0.2
204.58781	0.2
207.06758	0.2
212.16457	0.3
213.05389	0.8
229.07048	1.2
231.06522	0.6
241.04944	0.5
247.08099	2.2
258.05203	0.7
259.05960	0.2
287.05447	100.0
288.05801	3.2
299.05484	0.4
314.06332	0.2
329.06528	0.3
365.06094	0.2
395.07434	0.2
449.10724	13.1
450.10989	0.5
533.12537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.8
67.05493	9.8
69.03430	4.7
69.07024	2.7
71.04923	1.2
73.02913	5.2
79.05477	8.8
81.03416	4.6
81.07040	8.7
83.04934	2.1
83.08569	2.4
85.02891	7.7
89.87827	0.9
91.03902	4.2
91.05473	6.7
93.07037	5.7
94.39445	0.9
95.04916	4.2
95.08547	3.2
97.02869	7.0
97.06512	2.0
99.00748	1.3
101.02309	2.7
103.03868	1.0
105.03324	1.8
105.07033	4.9
107.04893	1.9
107.08518	3.8
109.02801	2.9
109.06432	1.7
109.10146	5.3
117.06921	3.0
119.08495	3.8
121.06466	1.4
123.08023	2.6
125.09509	1.0
127.03844	1.5
131.08513	1.5
133.06358	1.0
133.10133	5.7
135.07936	1.9
135.11639	2.0
137.09581	1.7
139.42186	1.1
143.08487	1.2
145.10066	2.4
147.07947	1.7
149.01186	1.2
149.09572	1.7
151.11092	1.0
157.10059	1.1
161.09564	2.7
163.11049	1.9
168.94603	1.0
175.11063	1.4
181.48238	1.1
189.08992	1.4
189.10835	0.9
243.08218	2.7
283.15051	1.9
299.14645	1.0
413.17282	3.8
483.18268	7.9
501.22202	1.9
549.25720	3.3
551.27551	2.7
585.23663	3.3
642.73615	1.1
723.38965	26.2
791.37335	1.7
827.34857	100.0
828.35095	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	827.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16197	1.0
61.02920	6.5
67.05506	4.3
69.03422	4.5
69.07066	2.4
70.27509	2.3
71.04959	1.8
72.61625	1.1
73.02906	5.3
79.05494	4.8
81.03419	3.9
81.07065	3.5
83.01077	1.8
83.05015	1.2
83.08620	2.3
84.01862	2.3
84.93121	1.1
85.02897	9.3
91.03957	4.1
91.05476	3.8
93.07040	3.5
94.32141	1.1
95.01080	2.4
95.04979	2.0
95.08607	2.0
96.01887	1.6
97.02920	5.7
97.06559	1.4
97.10137	1.3
97.58824	1.1
101.02369	3.1
105.06989	1.4
107.08556	2.0
109.02827	1.2
109.10121	2.4
115.03925	1.6
116.33340	1.2
117.92345	1.1
118.54256	1.2
119.08581	2.1
121.02623	2.0
121.10155	2.5
123.04182	1.4
127.03912	3.2
129.05495	3.5
131.08607	1.6
135.11790	1.7
139.03703	1.4
145.04912	1.4
156.03973	1.9
157.04811	1.5
167.03188	2.2
181.04750	3.3
184.03471	2.5
185.04192	13.2
189.38835	1.1
193.04820	1.8
199.05936	1.7
201.03668	5.8
203.05327	2.2
205.08266	1.4
221.07596	1.6
223.13173	1.2
239.05380	2.1
241.07047	1.7
243.08359	9.0
249.10979	2.0
251.12790	1.3
265.14264	1.9
277.14359	1.3
293.13565	1.4
301.08878	31.6
301.12274	1.5
313.08902	5.8
315.10324	8.1
317.08423	1.6
319.09897	1.8
327.10663	2.0
327.14188	1.9
329.12164	2.1
341.12140	4.7
343.13681	1.7
347.18268	1.6
349.16849	1.4
355.13867	2.0
357.15195	2.5
365.15375	1.5
369.15179	1.8
373.10999	9.9
383.16852	4.2
385.10992	2.0
385.18219	20.2
387.12610	2.7
401.17844	4.0
411.16388	2.0
413.17950	4.0
427.15765	1.6
429.17447	2.7
441.16632	1.4
444.20331	1.2
455.19122	3.2
457.20370	4.1
467.18964	3.8
469.20447	5.3
473.20016	4.9
485.19867	3.9
487.21796	1.4
497.20215	2.2
499.21048	2.3
501.23029	2.6
509.23615	1.7
511.21414	1.6
527.20917	14.2
551.27985	2.0
557.21808	2.9
565.26593	1.5
583.27380	3.2
596.31592	5.1
605.21729	1.2
611.30048	12.9
625.28027	10.7
655.29132	1.8
669.30902	5.8
694.38763	1.6
709.37421	8.8
710.36578	1.5
725.36737	2.2
737.36804	11.9
793.39209	1.6
809.39728	2.8
827.40759	100.0
828.40967	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	827.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	0.8
61.02921	3.7
66.67200	0.6
67.02493	0.5
67.05500	3.6
69.03419	2.6
69.07062	1.9
71.04989	1.9
73.02905	2.8
79.05504	3.0
80.19862	0.6
81.03406	4.3
81.07043	3.4
83.04979	1.9
83.08617	1.1
85.02893	4.8
85.06558	0.7
87.04473	0.9
91.03968	1.6
91.05468	3.1
93.07042	2.4
95.04991	2.1
95.08599	1.5
97.02880	4.0
97.06551	0.7
97.10129	0.8
99.04492	1.1
101.02404	1.7
105.07042	1.4
107.04984	0.9
107.08604	2.1
109.10153	1.2
119.08600	1.6
121.10165	1.8
123.08105	1.5
123.74268	0.6
125.09659	0.9
127.03919	1.5
129.06993	0.7
131.08588	1.7
133.10149	1.3
135.07947	0.6
135.11674	0.9
145.10130	0.6
147.11707	1.6
149.09637	1.4
153.12833	0.6
163.11220	0.9
175.11215	0.9
193.12343	1.8
243.08345	4.5
267.16049	0.9
278.91794	0.6
283.15079	3.3
301.09006	1.0
339.17725	1.2
349.20041	2.6
406.38989	0.6
413.17703	0.7
451.19284	0.6
484.49701	0.7
501.23013	14.4
501.30411	0.7
502.23584	0.8
567.27625	8.0
573.25226	1.7
665.39478	0.8
717.27374	0.6
737.37909	2.9
827.43817	100.0
828.44012	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	827.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.6
64.47761	0.6
67.05502	4.7
69.03424	2.6
69.07066	2.7
71.04995	1.0
73.02914	2.9
79.05481	5.4
81.03410	1.3
81.07045	5.0
83.08630	1.1
85.02901	3.4
91.03957	2.2
91.05484	5.3
93.07031	5.6
95.04962	1.5
95.08614	2.3
97.02916	2.6
99.04455	0.9
101.02389	1.6
105.07019	4.2
107.04970	1.0
107.08587	3.0
109.06536	0.9
109.10163	2.4
112.32345	0.6
117.07024	1.6
119.08566	2.0
121.10167	1.6
127.03893	1.2
131.08615	1.5
133.10135	1.9
135.11676	1.0
145.10126	1.8
147.11734	1.0
163.11234	0.7
173.13271	0.7
184.07320	0.8
185.04314	1.0
187.06366	0.6
203.05333	0.6
229.14381	1.2
243.08336	2.9
257.86884	0.6
301.09064	1.0
313.27341	0.8
315.19308	3.9
350.91550	0.8
371.22086	0.9
385.18433	0.8
465.20944	1.3
467.37625	1.2
468.37711	1.3
533.27020	7.6
533.34387	0.8
535.28625	5.2
605.29858	0.7
821.02930	0.6
827.48981	100.0
828.49182	8.4
845.11816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67162	1.2
61.02902	2.0
65.03934	2.7
67.05157	2.5
67.05497	31.9
69.03418	2.7
69.07057	6.2
70.01379	2.8
71.04983	2.5
77.00095	1.1
79.05485	35.0
79.90675	1.1
80.54694	1.3
81.03405	1.5
81.07046	36.4
83.04972	2.6
83.08620	6.0
85.02897	3.0
85.06542	1.4
91.03978	2.0
91.05479	19.4
93.07035	38.6
95.04957	10.1
95.08601	19.0
97.02895	2.0
97.06487	1.6
97.10147	4.5
99.08066	2.2
105.04507	2.2
105.07006	13.6
107.04945	3.2
107.08585	21.0
109.06475	3.9
109.10118	10.1
110.91141	1.4
111.08076	2.3
117.06990	6.8
119.08566	14.1
121.06506	3.8
121.10117	17.7
123.08058	3.4
123.11674	2.7
125.09608	4.7
129.01013	1.7
129.07005	1.4
130.98976	1.5
131.08549	9.1
133.10123	9.9
135.08037	11.8
135.11659	11.4
137.09583	3.2
137.13271	1.4
143.08525	2.3
145.06396	2.6
145.10078	8.4
147.08066	2.7
147.11662	5.2
149.09573	3.2
149.13280	8.9
151.11111	1.9
157.10107	1.5
159.11671	5.2
161.09639	2.1
163.07539	4.4
169.10152	1.6
171.05658	1.7
171.11621	1.3
173.09560	1.4
173.13219	5.5
184.07332	4.4
187.11205	1.4
187.14807	1.5
189.11201	3.6
199.05202	2.9
205.19501	1.8
213.16313	1.6
215.17921	19.4
227.12791	4.2
233.18964	19.2
243.17445	2.1
245.19032	1.9
271.16962	3.3
279.14990	1.8
289.17917	8.5
307.22629	100.0
308.23068	2.2
325.15442	2.8
369.27753	2.1
399.19281	82.7
400.19431	3.5
489.31985	1.6
499.70612	1.4
525.20410	1.3
595.39539	5.7
631.37549	47.4
632.37476	2.8
649.38776	1.7
828.49622	1.9
829.50574	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	828.509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.9
65.03941	5.4
67.05496	56.3
69.03436	6.9
69.07063	42.6
71.04978	21.5
75.19829	2.8
79.05481	62.6
81.03414	10.5
81.07043	59.6
81.07496	4.8
83.04978	20.5
83.08610	100.0
85.02893	9.5
91.05473	66.2
91.06040	3.5
93.07033	81.1
95.04957	76.5
95.08593	39.3
97.02896	4.0
97.06522	12.1
97.10153	10.8
99.04455	9.5
103.05482	2.9
105.04554	4.0
105.07014	49.5
107.04939	21.0
107.08587	70.9
109.06506	16.6
109.10126	19.8
111.04446	14.5
111.08059	21.1
115.05460	4.3
117.07010	35.9
119.08556	42.8
121.06503	12.6
121.10145	32.7
123.08057	10.4
123.11675	6.7
125.09587	16.6
125.70277	2.8
127.05965	2.7
129.06976	5.8
131.08545	38.6
133.06456	5.8
133.10117	27.1
135.08064	23.9
135.11693	12.2
137.09599	11.4
139.11169	9.9
141.06934	6.0
142.28645	2.5
143.08554	5.5
145.06488	3.1
145.10115	35.5
147.08034	7.8
147.11658	14.5
149.09596	67.0
151.11186	6.0
153.09094	4.3
155.08516	2.9
157.10097	4.3
159.11626	17.8
161.09593	7.2
161.13234	3.6
163.11153	49.8
165.09143	3.2
165.12756	3.6
167.10625	3.1
169.10091	7.0
171.11667	3.7
173.09555	4.3
173.13217	6.1
177.09106	8.3
177.12740	3.6
179.10809	3.3
179.78175	2.4
183.11700	5.5
185.11728	5.1
187.11169	6.4
187.14850	3.9
189.11182	8.1
201.12822	3.9
201.16350	26.5
203.99832	2.5
211.14728	3.6
219.17413	60.6
219.86047	2.9
223.13271	35.2
229.15945	15.8
233.15248	3.1
247.16913	64.6
257.18878	3.9
257.58157	2.6
265.18002	23.9
275.20047	66.9
293.21060	40.7
316.55252	2.8
321.20587	51.5
339.17520	3.3
339.21625	69.6
349.19440	3.2
349.23691	47.9
367.24738	70.4
368.24652	3.1
582.78674	3.0
595.39679	22.9
613.40906	57.8
614.41254	2.8
631.32300	3.8
631.41974	59.9
751.96014	3.5
754.85645	3.3
828.35376	8.1
828.49323	10.8
829.43658	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	828.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.6
64.97073	2.0
65.03935	7.1
67.05494	100.0
69.03418	8.9
69.07057	29.6
71.01345	3.8
71.04972	4.4
73.02896	5.0
77.03914	2.7
77.81545	2.0
79.05482	95.7
79.05943	4.9
81.03411	11.8
81.07046	82.8
82.38231	1.9
83.04973	14.0
83.08605	20.3
85.02892	9.3
85.06529	4.0
86.09689	3.9
91.05471	56.1
93.07030	86.0
95.04953	31.0
95.08593	47.1
97.02865	15.9
97.06525	11.7
97.10166	16.6
99.08043	3.6
103.05483	3.2
104.07104	3.9
105.04498	6.0
105.07014	43.2
107.04948	11.5
107.08582	35.7
109.06502	15.3
109.10138	37.4
111.04419	3.4
111.08062	6.4
116.04698	5.0
117.07027	15.2
117.17184	2.0
119.08568	30.5
121.06480	6.6
121.10130	38.7
123.04399	3.1
123.08056	9.3
123.11677	6.1
125.09627	18.9
125.87915	2.3
129.05484	16.7
129.07004	6.7
131.08533	18.9
133.06485	2.6
133.10100	24.2
135.08003	10.8
135.11674	23.9
137.05928	2.5
137.09583	20.0
137.69995	2.2
143.07001	4.9
143.08545	5.5
145.10114	16.6
147.08043	7.0
147.11655	15.9
149.09616	8.2
149.13245	6.9
151.07509	3.2
151.11131	4.3
153.09126	7.6
155.10617	3.3
157.08603	5.8
157.10130	8.3
159.08067	3.2
159.11667	9.3
161.09592	5.6
161.13271	2.9
163.11189	7.1
165.09085	3.3
169.10144	2.7
171.10207	3.8
171.11685	4.2
173.09621	2.5
173.11755	3.6
173.13223	7.3
175.11162	3.7
175.14661	1.9
177.12738	3.5
184.07329	9.3
185.13145	3.0
187.14766	2.8
189.11182	5.9
191.10722	3.3
191.14371	2.9
193.12187	9.8
203.17778	3.0
213.16476	2.0
215.17888	12.3
221.11771	4.1
227.12767	6.5
229.14337	4.4
233.18939	11.3
239.12912	2.1
245.18925	4.5
259.76984	2.3
263.19937	3.2
271.16794	2.7
273.18384	10.7
284.00589	2.4
289.17950	6.5
291.19547	11.0
295.15161	3.1
307.19556	3.6
307.22626	92.1
308.22949	4.9
313.16736	2.1
335.25644	3.8
347.22125	7.2
363.21844	3.2
365.23260	12.0
381.22495	5.5
383.24280	2.4
399.23682	36.0
461.32520	7.9
539.90009	2.2
597.41528	20.0
613.40643	9.0
631.41919	81.0
632.42053	4.7
727.34235	3.0
829.42999	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	828.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.4
65.03923	2.5
67.05496	37.4
67.23097	1.0
69.03421	4.5
69.07058	24.7
71.04987	7.2
72.01160	1.0
79.05480	47.4
80.05815	1.0
81.03410	6.4
81.07046	100.0
82.07385	1.3
83.04963	5.3
83.08603	15.6
85.02889	2.4
85.06541	2.5
91.05468	35.0
93.07031	34.6
95.04958	14.2
95.08593	34.0
97.02877	3.7
97.06506	7.7
97.10157	2.4
99.08086	2.4
103.05441	1.4
105.04504	2.4
105.07018	27.1
106.06617	1.1
107.04952	11.5
107.08578	19.4
109.05753	1.7
109.06503	35.4
109.10139	10.4
111.04390	1.1
111.08071	5.8
113.06002	2.0
115.05393	1.2
117.07005	8.9
119.08556	25.1
121.06477	5.4
121.10120	17.8
123.04464	2.2
123.08058	10.0
123.11655	5.3
124.07587	1.5
125.09605	3.3
127.07535	1.6
129.06995	4.9
130.07718	1.4
131.08545	14.4
133.06490	1.6
133.10115	13.6
135.08047	9.3
135.11653	6.5
137.09605	11.8
139.11179	3.3
141.07047	1.4
143.08553	3.0
145.06514	1.7
145.10106	11.1
147.08031	4.1
147.11665	12.0
149.09601	15.4
149.13242	5.1
151.07515	2.0
151.11153	3.4
155.08424	2.1
156.77509	1.0
157.10136	3.3
159.08038	1.6
159.11673	8.0
160.12056	1.2
161.09581	3.4
161.13245	2.3
163.11163	9.7
165.09070	2.1
165.12737	2.4
167.10597	1.5
169.10091	3.7
171.11659	1.5
173.09596	2.1
173.13280	3.3
175.11205	1.9
177.12759	1.9
183.11673	1.3
185.11703	1.6
187.11250	1.3
187.14781	1.5
189.12718	1.5
191.14261	1.8
201.16335	4.1
211.14842	1.5
219.17365	3.1
229.15891	3.3
241.14412	1.4
247.16925	14.8
257.19061	1.6
265.17950	5.2
272.56656	1.2
275.20026	37.2
276.20447	2.2
293.21045	7.2
319.48431	1.1
321.20563	25.7
339.21631	41.3
340.21909	1.3
349.23663	29.0
367.24728	25.8
368.25137	1.7
471.30984	2.3
539.36346	1.3
595.39801	23.9
596.40149	1.7
613.40839	38.7
614.41113	3.4
631.41949	34.5
632.42188	3.0
743.87286	1.3
828.51050	7.8
829.41919	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	828.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	2.3
65.03938	3.3
67.05498	48.7
69.03414	3.7
69.06699	2.4
69.07061	33.7
70.68394	2.3
71.04983	5.3
72.78453	1.3
75.51495	1.5
77.03938	1.6
79.05485	53.3
81.03405	6.5
81.07045	100.0
83.04971	11.9
83.08607	32.0
85.02908	4.6
85.06554	1.9
91.05464	42.6
91.31131	1.5
93.06437	2.2
93.07033	51.2
95.04959	55.2
95.08594	45.4
97.02892	4.9
97.06519	11.1
97.10143	7.1
99.04442	4.1
99.08073	4.9
105.04497	2.5
105.07020	32.5
107.04941	21.8
107.08585	32.5
109.06508	46.9
109.10144	17.5
110.06841	1.3
111.04444	7.7
111.08089	9.1
113.33109	1.5
115.05402	1.5
117.07005	16.9
119.08558	36.8
121.06475	9.2
121.10132	26.2
122.43836	1.4
123.04428	4.0
123.08060	14.3
123.11691	3.9
125.09606	10.0
129.06995	6.0
130.07748	1.9
131.08542	22.2
133.06506	2.9
133.10100	19.9
135.08038	15.1
135.11684	8.7
137.09601	15.4
139.11166	4.2
141.06973	2.0
141.09030	1.6
143.08563	4.8
145.06467	3.0
145.10110	23.7
147.08028	5.8
147.11659	8.2
148.37915	1.5
149.09599	32.9
149.13226	3.2
151.07532	3.2
151.11142	4.7
153.09100	1.7
153.12692	2.6
155.08531	2.6
157.10178	3.6
159.08061	3.4
159.11662	13.0
161.09639	5.3
161.13268	4.0
163.07611	1.7
163.11157	25.5
165.09116	4.7
165.12738	3.1
167.10661	1.9
169.10086	4.3
171.10243	1.7
171.11649	4.3
173.09662	2.5
173.13231	4.0
175.11176	2.6
177.09023	2.3
177.12714	3.7
181.12256	1.7
182.41223	1.6
183.10187	1.7
183.11649	3.5
185.11729	2.2
185.13295	1.9
187.11166	4.7
189.11246	6.9
191.10574	2.3
195.13850	1.5
197.13293	2.2
201.12720	1.6
201.16370	4.7
205.12224	4.9
211.14940	2.5
213.16299	3.2
219.17462	4.3
223.13245	23.8
227.12752	2.0
229.15891	5.8
229.19441	1.6
231.17313	1.8
239.12773	1.8
239.17934	2.4
247.16896	27.6
257.19058	8.6
265.17981	7.9
273.18488	2.4
275.20035	41.9
275.52878	1.5
276.20554	1.7
291.19373	2.5
293.21045	22.9
321.20526	40.1
323.22223	2.6
331.05084	1.5
339.21625	57.2
340.21939	2.5
349.23700	24.4
355.53296	1.4
367.24738	47.1
368.25134	3.0
478.75986	1.6
515.33722	1.7
521.36273	1.8
531.32672	1.7
575.15442	1.5
595.39752	25.2
596.40039	2.6
613.40894	53.8
614.41083	4.3
631.41901	58.6
632.41943	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	828.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.3
65.03934	3.4
67.05495	54.6
69.03419	6.4
69.07061	37.0
69.07434	1.9
69.72213	5.1
71.04986	18.6
73.02886	2.3
77.03960	1.7
79.05480	65.1
80.05796	1.4
81.03395	7.5
81.07047	100.0
82.07381	2.2
83.04975	9.8
83.08611	48.8
85.02890	4.6
85.06538	3.2
88.03972	1.6
91.05470	56.3
92.05800	1.9
93.07034	60.4
94.07384	1.8
95.04955	26.3
95.05522	2.2
95.08598	37.5
97.02869	4.7
97.06522	13.7
97.10149	5.8
99.04453	5.0
99.08092	4.1
105.04478	3.3
105.07021	36.9
107.04933	15.6
107.08578	48.1
109.06512	25.4
109.10133	14.4
111.04430	2.8
111.08073	12.1
115.05450	2.5
117.07004	28.1
117.07799	2.4
119.08558	31.0
121.06493	10.3
121.10127	24.8
123.08066	8.7
123.11696	6.5
125.09609	7.3
127.03904	2.4
128.06216	2.1
129.06966	6.5
131.07559	0.8
131.08542	29.5
133.06490	5.7
133.10114	23.9
135.08032	21.0
135.11673	8.7
137.09596	13.1
139.11172	8.5
141.06978	2.8
143.08513	4.2
145.06470	2.8
145.10114	15.7
147.08022	4.4
147.11679	14.6
149.09595	31.3
149.13271	7.0
151.07487	2.6
151.11166	5.9
153.09084	3.3
155.08510	3.8
157.10121	4.6
159.08035	3.2
159.11700	12.0
161.09605	4.5
161.13266	4.7
163.07535	2.0
163.11177	16.6
163.14854	1.6
165.09077	3.6
165.12717	3.4
167.10643	2.2
169.08632	2.1
169.10112	4.6
171.11678	3.5
173.09685	3.4
173.13257	5.5
175.11176	1.9
175.14818	2.1
177.09120	6.8
177.12764	2.0
181.08650	1.7
183.11668	3.4
185.11765	2.0
185.13286	2.8
187.11195	3.9
187.14818	1.8
189.11240	1.7
191.10619	1.6
191.14305	2.6
193.12228	2.3
197.13367	1.7
199.09596	1.4
201.16341	15.0
203.17934	1.5
211.14842	3.3
213.16364	2.0
219.17429	29.8
227.12721	1.9
229.15900	9.1
229.19460	2.6
247.16916	33.7
248.17299	1.7
249.18530	1.7
257.18964	3.2
265.17914	13.8
269.17395	3.9
273.18405	2.4
275.20032	43.1
276.20370	2.1
291.19592	3.0
293.21066	9.2
303.19482	1.9
307.23187	1.4
321.20557	29.4
323.22067	3.0
337.27426	1.9
339.21634	52.5
340.21960	1.8
349.23688	34.4
350.24057	2.4
365.23215	2.5
367.20551	2.2
367.24783	30.2
372.94760	1.5
459.31000	2.0
501.31989	1.5
515.33459	4.5
533.34497	5.4
595.30786	1.5
595.39813	22.6
613.40936	43.6
614.41229	3.0
631.41809	32.7
632.42273	2.4
828.34265	1.3
828.51794	10.3
829.43323	18.7
841.59998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.9
67.05499	61.7
69.03440	5.1
69.07046	23.1
70.17426	8.3
71.04974	7.3
75.37334	3.3
79.05484	66.5
79.05939	4.8
81.03403	14.6
81.07047	80.9
82.07358	5.3
83.04969	12.8
83.08618	15.1
85.02859	6.4
85.06505	6.4
91.05466	80.4
93.07028	54.7
95.04948	25.0
95.08592	30.0
97.02902	5.5
97.06512	10.4
97.10155	20.1
99.08092	5.4
105.07018	71.7
105.07719	4.7
106.07348	3.8
107.04925	7.7
107.08584	35.4
109.06512	11.4
109.10124	22.9
111.04436	11.4
111.08051	10.3
117.06987	28.9
119.08564	54.9
121.06516	8.0
121.10129	25.5
123.08065	20.6
125.09618	15.7
128.06227	5.5
129.05463	5.5
129.07011	21.2
131.08549	31.8
133.06429	4.6
133.10114	63.5
135.08073	7.4
135.11667	17.1
137.09570	8.0
141.07022	5.4
143.08514	16.7
145.10101	24.7
147.08031	9.8
147.11668	42.5
149.09627	15.1
149.13245	3.9
153.09042	8.6
153.12752	4.4
157.10112	21.6
158.86424	3.9
159.11668	14.9
161.09555	5.4
161.13249	6.3
163.11156	13.8
165.09148	5.9
169.10094	7.5
171.11612	25.6
173.09647	4.0
173.13298	8.6
175.11235	4.4
181.12225	6.0
185.13158	6.1
187.14766	7.3
189.11163	9.0
189.16385	5.5
193.12193	5.5
197.13179	4.9
203.17894	6.2
213.16338	42.6
223.13284	4.8
227.12749	8.6
231.17412	60.0
247.16861	8.2
273.18411	13.9
275.19977	12.9
291.19531	30.7
293.21106	4.7
305.21057	40.9
309.20389	6.6
321.20773	5.3
365.23300	15.6
383.24261	17.8
405.79800	4.5
485.32901	5.7
505.20715	4.2
521.36194	4.9
577.38306	6.5
595.39862	34.9
596.40680	4.7
613.40863	24.9
724.39630	19.6
828.33698	100.0
829.32782	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	2.6
61.02906	3.4
61.26979	1.4
65.03925	4.6
67.05494	92.5
69.03406	5.0
69.06698	2.6
69.07055	26.5
71.04983	9.7
73.01273	2.0
73.02875	2.0
77.03902	2.6
79.05482	92.0
81.02966	2.1
81.03409	10.3
81.07045	82.6
83.04977	8.8
83.08606	16.8
85.02890	5.9
85.06527	5.0
91.05016	1.6
91.05467	54.5
93.07029	100.0
95.04955	22.2
95.08014	3.6
95.08591	52.0
97.02875	5.8
97.06512	13.3
97.10146	5.9
99.04436	2.1
99.08072	6.7
105.04500	5.1
105.06339	3.5
105.07013	41.5
107.04929	5.7
107.08578	36.4
109.06507	9.3
109.10143	33.2
110.10474	1.8
111.08041	5.1
114.48299	1.5
115.05460	3.1
117.06993	22.4
119.08561	29.2
121.06487	4.1
121.10119	43.3
123.08012	3.4
123.11691	6.1
124.87453	1.6
124.99949	3.2
125.09610	6.6
127.03908	2.7
128.06253	1.6
129.05457	4.5
129.06969	4.2
131.08549	24.1
133.06488	1.8
133.10098	26.1
135.08025	6.6
135.11664	15.8
137.09596	4.8
139.11121	2.7
141.06960	2.4
143.08534	6.7
145.10071	18.0
146.32657	1.6
147.11676	13.2
149.09595	5.9
149.13242	14.3
151.11171	3.9
155.08517	2.4
157.10124	5.8
159.08058	2.7
159.11656	17.2
161.09596	2.4
161.13216	3.8
163.11160	4.6
165.12764	2.7
169.10094	2.0
171.11708	3.8
173.11748	5.6
173.13266	7.6
177.12746	2.3
183.11678	2.4
184.07321	12.7
185.13246	2.0
187.14813	2.4
193.12132	4.4
195.13843	1.8
199.14784	2.6
213.16515	2.3
215.17880	12.5
219.17236	2.1
227.12689	2.4
229.14253	17.2
229.15935	1.6
233.15359	1.7
233.18976	10.8
257.18985	6.8
269.17416	8.3
273.18750	1.7
275.19922	14.1
289.18039	2.3
291.19394	2.1
293.21091	3.7
307.22629	93.7
308.23041	3.6
309.20291	3.1
339.17911	1.8
349.23666	9.7
375.21399	1.8
399.23932	2.5
413.21631	4.5
453.24753	2.6
461.32495	18.2
501.35696	62.8
502.35773	4.2
541.38800	35.4
581.42047	20.9
582.42365	3.0
613.44086	7.4
631.41388	5.5
645.39435	5.3
663.40472	1.9
685.42578	2.5
828.49664	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	829.3741
Annotation	RA X
Peak:m/z	Relative Intensity
61.02909	7.9
67.05498	6.8
69.03418	4.6
69.07041	2.9
70.56088	1.5
70.56413	1.0
71.04966	1.4
73.02905	5.5
79.05483	6.9
81.03418	5.3
81.07044	9.2
83.04954	2.8
83.08600	2.6
83.25788	1.0
85.02887	9.1
91.03930	5.4
91.05466	6.5
92.05791	0.9
93.07023	6.1
95.01049	0.9
95.04937	3.3
95.08597	2.5
96.01899	1.2
97.02875	7.2
97.06506	1.2
99.04410	1.7
101.02370	1.9
103.03937	0.9
105.03348	1.5
105.07019	4.3
107.04940	1.3
107.08575	2.9
109.02837	1.2
109.06495	2.9
109.10114	1.7
111.04413	1.2
111.08034	1.1
115.03861	1.0
115.63172	1.0
117.06997	1.8
119.08550	3.1
121.06518	1.0
121.10143	2.3
123.04167	0.9
123.07980	1.0
125.09641	1.7
127.03864	2.9
129.05438	3.4
129.06992	1.5
131.08519	2.4
133.10023	1.1
135.08003	1.6
135.11653	1.1
137.09523	1.1
145.04968	1.6
145.10091	1.5
149.09549	1.2
156.03941	1.0
157.10088	1.0
161.09721	0.8
163.11162	2.1
175.11098	1.3
181.04710	2.9
185.04149	9.5
193.12251	1.7
195.05984	1.1
199.05815	1.7
199.13159	1.5
201.03641	3.5
203.05167	1.1
211.13278	1.2
221.11494	1.4
241.06938	1.4
243.08273	7.6
245.00775	0.9
251.12511	3.1
259.07761	1.3
265.14011	1.3
273.18246	1.2
277.14044	2.5
291.19269	1.4
301.08862	25.0
302.09125	1.2
315.10336	6.0
327.10364	1.2
331.18707	3.0
341.12091	2.0
343.13376	1.6
349.15881	1.4
355.13373	2.2
357.15060	2.1
360.10303	0.9
367.16797	1.9
369.15079	1.1
371.16635	1.8
373.10870	8.4
383.16516	4.0
385.18326	12.8
387.12570	2.0
393.18137	1.1
395.16086	1.1
401.13889	1.3
413.17575	1.5
415.15295	1.3
429.17270	5.1
429.22238	1.1
430.23593	1.1
433.25598	1.8
439.19196	2.6
443.19067	5.5
444.19339	1.6
457.20160	2.7
465.20053	1.3
469.20511	12.1
479.26389	1.0
485.19824	9.4
499.21170	3.2
511.21042	2.2
521.23560	2.0
527.28174	1.5
528.21735	5.7
541.22565	5.6
549.26520	5.9
555.23535	1.4
569.29504	4.1
583.30231	1.2
585.24310	5.2
609.28107	1.8
611.29889	1.5
612.31073	5.3
621.28784	1.2
641.31305	1.1
653.31079	4.4
657.25897	3.5
671.27728	1.1
685.28540	1.2
724.38910	1.6
725.39246	3.8
727.33649	3.7
811.35669	2.5
829.36798	100.0
830.36389	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	829.4566
Annotation	Centellasaponin B
Peak:m/z	Relative Intensity
61.02916	5.9
67.05501	12.5
69.03420	28.1
69.07054	18.5
71.01322	2.5
71.04986	4.1
73.02900	3.2
73.44593	1.7
79.05494	6.1
81.03403	8.6
81.07046	22.4
81.56659	1.8
83.08614	4.1
85.02892	87.9
87.04424	4.3
91.03915	2.4
91.05447	9.1
93.07024	9.6
95.08592	31.3
97.02885	26.1
99.04462	3.3
105.07008	15.4
107.04953	3.1
107.08572	10.5
109.02889	9.8
109.06500	5.4
109.10141	19.7
115.03907	3.4
119.04924	3.9
119.08538	12.0
121.06499	10.6
121.10127	5.7
123.08028	7.3
123.11703	3.4
125.05997	2.0
127.03900	17.5
129.07001	3.0
131.08543	8.1
133.06442	5.2
133.10071	3.1
135.08020	6.5
141.06963	1.9
143.08554	7.2
145.04950	11.1
145.06409	2.5
145.10123	11.9
147.08020	4.4
147.11684	6.9
149.09624	2.5
151.14778	1.9
155.08488	3.1
157.10054	6.6
159.08044	7.9
159.11658	5.6
161.09560	7.8
161.13214	2.5
163.05980	2.2
165.16287	2.0
169.10138	4.8
171.07965	5.2
171.11681	4.7
173.09641	13.8
173.13274	2.4
175.11148	6.9
175.14828	2.0
183.11737	2.8
185.09601	3.2
185.13223	5.4
187.11179	6.3
187.14789	2.2
189.12701	4.4
190.92442	1.8
194.10716	2.6
195.11674	3.3
197.13245	3.4
199.14983	3.0
201.12727	4.7
203.14299	2.4
209.13216	3.9
213.12743	6.4
223.14728	2.8
227.14200	6.8
229.15828	3.8
231.13792	5.8
239.14284	2.4
245.15367	5.8
249.14726	6.5
257.15421	4.3
261.14783	2.8
263.16281	10.9
271.20621	2.5
275.16336	6.1
277.17917	2.9
285.22055	9.4
287.05411	4.7
297.18408	6.3
299.19916	2.7
315.19464	15.4
317.21033	8.8
391.29868	4.7
409.30936	19.8
427.32037	100.0
428.32486	3.8
445.32883	4.7
469.32892	4.9
487.27740	3.1
487.34164	47.8
505.35254	28.2
506.35016	2.7
589.37286	31.3
649.39459	20.4
667.40332	29.1
779.23975	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94228	0.8
61.02917	4.1
67.05489	10.5
69.03426	4.0
69.07065	3.9
69.07392	5.9
73.02905	4.5
79.05477	10.1
80.51372	0.8
80.80452	0.9
81.03424	3.0
81.07046	11.0
83.04990	1.3
83.08623	1.8
85.02906	5.9
86.09708	1.3
86.28455	0.9
91.03960	3.8
91.05470	8.6
93.07034	10.7
94.07381	1.0
95.04958	3.0
95.08590	6.8
97.02869	4.9
97.10188	0.9
98.23426	1.9
99.04487	1.5
101.02386	2.2
105.07008	6.0
106.07371	1.0
107.07960	1.2
107.08567	6.1
109.02868	1.4
109.10181	2.3
117.07056	2.8
119.08551	6.2
121.10107	4.1
126.22497	1.2
127.03942	1.8
129.07048	1.4
131.08588	3.2
133.10118	5.5
135.11726	2.4
140.63402	1.1
145.10133	1.7
147.11702	2.0
149.13292	1.2
149.94662	1.1
157.10080	0.8
159.11728	1.6
171.11714	1.3
173.13348	1.3
184.07443	3.4
185.04153	1.6
185.13269	1.1
241.14206	1.2
243.08289	5.9
247.17003	1.1
282.39850	0.9
301.08975	2.5
309.24243	1.0
315.10574	1.3
335.25903	1.7
369.15366	1.0
385.18851	1.1
429.16599	1.0
465.21158	1.9
502.36487	2.7
525.23102	2.3
535.28668	16.9
536.28802	1.1
607.30847	2.6
691.40088	1.1
829.50568	100.0
830.50763	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	830.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06570	1.8
59.34742	0.5
59.39767	0.5
61.02901	2.3
69.03422	8.9
70.06575	0.7
71.01343	0.8
71.44521	0.6
73.02907	17.5
77.03903	3.1
79.05490	3.0
81.03403	8.6
85.02396	0.7
85.02887	8.2
89.34125	0.6
91.05464	7.4
92.51054	0.5
93.07025	8.0
95.04952	14.9
97.02869	6.6
99.04410	1.5
103.05460	6.0
105.03376	100.0
105.04397	6.8
105.34467	0.5
106.03706	1.7
109.02866	7.1
113.02335	0.5
115.03887	2.5
121.06486	69.8
122.06806	1.1
123.04404	6.7
127.03883	6.9
144.89680	0.7
145.02858	0.8
145.04939	1.6
157.50787	0.7
166.12248	27.7
177.05432	1.6
213.17322	0.5
231.06548	1.9
249.07524	12.2
267.08594	11.8
267.11252	0.8
284.02527	0.5
288.25229	0.5
311.12729	0.7
432.20099	11.6
575.36084	0.6
698.27948	1.6
701.76904	0.6
818.16211	0.6
830.32111	40.8
831.32367	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	830.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06569	1.6
61.02918	3.3
64.06832	0.6
65.03916	0.7
67.05474	0.6
69.03419	14.5
70.03738	0.9
71.01360	0.7
71.04967	0.7
73.02907	15.6
77.03921	2.7
79.05476	2.7
81.03400	11.8
82.03706	1.0
83.04952	0.6
85.02891	13.0
87.04437	0.9
91.05469	6.3
93.07025	9.2
95.04956	14.6
95.64785	0.7
97.02878	16.1
98.03219	1.6
98.22702	1.4
99.04442	3.6
103.05453	6.9
105.03378	100.0
105.04395	7.3
105.06982	0.9
106.03695	1.3
107.08562	1.0
109.02861	22.5
110.03214	2.6
115.03910	3.2
117.03388	3.8
118.03698	0.7
121.06487	62.4
122.06807	0.9
123.04415	5.9
124.55638	0.5
127.03900	15.0
128.04239	2.0
133.04974	0.6
133.10107	0.8
136.11975	0.5
137.05978	1.0
139.03864	1.0
145.02814	9.3
145.04918	4.2
146.03210	1.5
147.04353	0.9
148.65910	0.6
149.05983	1.2
166.12251	26.2
169.04970	1.7
175.03908	0.6
177.05441	21.4
177.06960	1.2
178.05840	4.0
187.06017	2.1
195.06720	0.8
205.06979	2.8
206.07378	1.2
207.06580	0.7
231.06482	1.8
249.07544	12.5
267.08557	9.8
268.09323	0.6
281.20990	0.6
287.05493	7.5
288.05856	3.3
294.12546	0.8
321.09665	0.7
339.10638	0.6
340.11096	0.6
365.21057	0.7
432.20096	13.0
698.27753	4.2
830.32007	36.7
831.32172	2.9
852.43982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.7
65.03924	2.7
67.05495	53.6
69.03413	2.2
69.07064	15.0
69.61738	2.6
71.04971	2.7
73.02898	1.0
79.05483	60.8
81.03401	3.7
81.07046	58.2
83.04950	4.0
83.08605	8.7
85.02891	3.7
85.06528	2.2
91.05468	34.7
91.86211	0.9
93.07031	54.6
95.04960	14.6
95.08592	29.7
95.09207	1.5
97.02843	2.4
97.06527	2.9
97.10161	4.8
99.08068	1.7
103.05380	0.9
105.04471	2.5
105.07015	26.4
107.04939	8.0
107.08583	20.2
107.09267	0.6
109.06493	5.6
109.10142	13.1
111.04445	1.7
111.08057	3.0
115.05450	1.6
117.01009	1.2
117.07001	13.6
119.07218	0.7
119.08562	22.5
121.06493	4.9
121.10126	25.5
123.08044	9.0
123.11694	3.0
125.09660	3.9
128.06223	1.1
129.06973	6.0
130.07744	0.9
131.02609	0.9
131.08549	17.3
132.83400	0.8
133.00487	1.6
133.06464	3.4
133.10117	14.0
135.08028	4.5
135.11676	14.3
137.09563	2.9
137.13295	0.9
143.08534	5.9
143.12045	0.8
145.10098	16.8
147.08041	5.1
147.11646	7.0
149.09604	7.5
149.13211	5.6
151.11148	1.5
153.09096	1.4
155.08559	0.9
157.10107	5.3
159.07999	1.5
159.11703	8.2
161.09586	5.4
161.13217	2.0
161.90799	0.9
163.11119	6.3
169.10060	2.5
171.08037	1.2
171.10342	1.0
171.11624	4.6
173.07217	0.8
173.13182	6.1
175.11156	2.8
177.12720	1.1
185.09546	1.0
185.13197	2.0
187.14816	2.2
189.11217	1.8
189.12811	0.9
195.11684	1.7
197.07295	2.8
213.12802	1.0
213.16377	2.5
215.17903	8.6
223.13232	1.1
227.17874	1.6
231.17360	1.9
233.18976	9.8
237.16260	1.6
245.19019	2.2
255.17372	2.8
273.18436	18.8
291.19516	30.5
305.21179	1.2
307.22620	100.0
308.23083	4.2
309.16086	4.5
347.22058	3.4
365.23224	2.3
383.19775	14.8
401.20850	32.1
402.21060	1.6
505.36572	1.0
579.39825	4.2
597.41351	8.5
615.38074	26.2
616.38373	2.6
633.39032	32.8
634.39685	1.9
830.50458	1.6
831.47137	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	831.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.7
65.51791	0.4
69.03422	7.2
69.88507	0.9
71.04981	1.6
73.02902	1.3
81.03407	9.2
83.01333	1.5
85.02893	100.0
86.03237	0.8
97.02880	72.5
98.03245	0.6
99.04435	5.9
105.07167	0.4
109.02865	25.9
110.03249	0.5
115.03920	0.5
127.03899	27.9
137.02336	1.2
139.03886	1.1
145.02861	0.4
145.04950	8.4
147.04428	0.4
153.01796	1.4
153.67174	0.4
165.01811	1.2
169.04993	3.4
177.05441	0.8
183.02780	0.4
187.06000	21.9
188.06354	0.5
201.05367	0.5
205.07047	50.7
206.07382	0.8
229.04933	1.8
247.05948	0.5
257.04434	1.2
285.03891	1.1
303.04941	45.9
304.05319	1.2
312.43286	0.4
315.04907	0.5
351.72980	0.4
355.64206	0.5
463.04175	0.4
465.10321	6.1
507.10870	0.6
750.05170	0.4
851.47839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.5
64.49411	0.1
65.03927	0.1
67.49678	0.2
68.99796	0.4
69.03419	4.8
70.65827	0.1
71.04980	0.5
73.02914	1.0
81.02953	0.2
81.03410	3.8
83.01350	0.2
83.76237	0.1
85.02893	16.5
93.03384	0.1
95.04949	0.1
97.02880	9.0
99.04443	1.3
99.81414	0.1
101.02341	0.1
102.96593	0.1
103.03955	0.2
109.02862	3.5
111.00805	0.6
115.03944	0.2
121.02843	0.8
123.04424	0.3
127.03900	5.4
133.04944	0.6
137.02319	2.9
139.03929	0.1
145.02837	0.1
145.04932	2.4
145.06148	0.2
145.06491	0.1
147.94641	0.2
149.02325	0.5
152.90062	0.1
153.01808	2.9
161.05936	0.3
163.03912	0.5
165.01823	2.0
169.04941	0.2
173.05960	0.3
176.69098	0.1
177.05412	0.3
183.02864	0.7
187.04094	0.2
187.05991	2.5
187.07585	0.2
195.02786	0.2
201.05452	1.3
205.05191	0.1
205.07027	3.0
207.02875	0.2
219.02963	0.2
219.06512	0.2
221.00957	0.1
228.04602	0.1
229.04918	3.4
247.06020	0.6
257.04376	3.1
257.06839	0.2
259.89957	0.1
274.04688	0.6
285.03949	1.2
303.04935	100.0
304.05289	3.5
315.04910	0.8
345.05981	0.2
369.05905	0.4
381.05838	0.3
411.07159	0.3
415.97043	0.2
465.10245	13.9
466.10608	0.7
507.10977	0.5
648.88879	0.1
773.91876	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	832.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06590	0.4
61.02919	0.8
66.02567	0.3
69.03417	7.7
70.06569	0.4
71.04988	0.6
73.02917	0.5
77.03911	1.9
79.05487	3.8
81.03407	12.4
82.03768	0.3
85.02892	10.4
91.05470	2.6
93.07043	3.1
94.67410	0.3
95.04955	12.0
97.02882	6.0
97.55994	0.3
99.04417	2.2
100.40907	0.3
103.05463	2.3
105.03377	100.0
105.04511	4.9
106.03706	1.2
107.04942	2.5
108.01749	0.3
109.02865	8.3
119.62117	0.3
121.06487	52.7
122.06020	8.2
122.06797	0.6
123.04406	7.1
126.05529	0.5
127.03891	7.2
128.68979	0.3
137.05905	0.6
138.09122	15.5
145.02832	0.8
145.04936	2.7
147.04333	0.6
148.07518	0.5
165.05440	0.4
175.03885	0.7
177.05450	1.1
180.10190	1.6
195.06474	0.8
198.11215	0.7
207.06491	1.7
228.10149	2.9
231.06511	3.5
246.11191	0.8
249.07539	16.1
250.07867	0.6
267.08600	17.8
268.08932	0.6
309.09790	0.3
350.13779	2.0
360.16431	0.8
368.14896	2.4
386.15900	5.5
404.11789	0.5
404.16977	8.7
405.17346	0.4
446.18100	0.8
451.28589	0.5
494.17642	1.0
616.21442	0.9
634.22211	0.6
652.23444	2.6
670.24725	1.8
796.27710	0.4
810.86316	0.4
814.28448	3.6
832.29669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74291	0.5
61.02929	3.9
65.03925	0.5
67.05500	8.2
69.03423	10.1
69.07066	11.0
71.04983	2.1
71.08624	0.9
73.02910	1.4
79.05484	5.3
81.03413	4.2
81.07050	18.1
83.08621	4.5
85.02896	53.6
87.04464	1.3
91.03940	1.9
91.05453	3.9
93.07038	8.6
95.04978	1.2
95.08597	25.5
97.02882	16.1
97.03481	1.1
97.06558	0.5
97.10186	1.7
99.04457	2.3
105.07030	10.3
107.08585	9.1
109.02878	5.3
109.10146	19.7
111.08044	0.8
111.11693	1.3
115.03916	0.5
117.07011	1.5
119.08574	9.5
121.06453	2.6
121.10128	7.8
123.08085	1.0
123.11682	3.1
127.03902	12.3
128.06218	0.6
129.06978	1.0
130.82956	0.5
131.08563	6.9
133.10130	7.1
135.08060	1.2
135.11682	4.0
137.09604	1.0
137.13274	1.4
138.13713	0.5
143.08524	4.0
145.04944	18.5
145.10114	9.8
146.10568	0.6
147.08047	1.1
147.11679	7.4
149.09624	1.3
149.13214	2.8
151.14789	1.5
155.08475	2.4
157.10114	5.9
158.10843	0.6
159.11687	11.3
161.09680	0.9
161.13263	6.2
163.06004	6.5
163.11101	1.2
163.14807	2.1
165.16426	3.7
169.10136	3.4
171.11652	4.8
173.13246	6.7
175.14760	2.7
177.16402	2.1
181.10234	0.8
181.12230	1.4
183.11697	3.6
185.13280	3.2
187.11153	1.0
187.14786	3.5
189.16327	1.7
191.17842	0.7
193.12227	1.1
195.11691	1.1
196.12393	0.7
197.13278	2.1
199.14806	7.4
201.16422	2.7
203.14273	0.6
203.17912	1.3
209.13202	1.6
211.14819	1.4
213.16335	3.3
215.17819	2.6
217.15826	3.9
223.14825	2.2
225.16364	3.9
227.17961	1.7
229.15837	0.9
229.19461	1.0
231.17419	2.8
231.21049	1.2
235.16904	4.3
237.16313	0.8
239.17982	1.7
241.15843	1.1
241.19479	0.9
243.17441	3.8
245.22585	0.9
247.16927	1.2
249.18509	4.8
251.17912	1.2
253.19551	1.2
255.21057	1.0
257.22620	2.8
261.18491	8.3
265.19473	1.7
267.21133	1.5
269.19281	0.8
269.22455	1.0
271.21506	0.6
271.24158	3.6
275.20001	3.0
279.21216	0.5
281.22708	0.9
283.20544	3.4
285.22031	0.9
285.25809	0.8
287.20117	1.1
297.22128	0.8
297.25638	1.0
301.21600	14.9
303.23181	1.4
311.27200	1.2
315.23145	2.2
321.25687	1.0
325.11526	0.9
337.28839	0.8
339.30502	1.1
377.31976	8.7
377.36493	0.9
395.33047	16.5
396.33588	0.9
413.34100	100.0
414.34415	5.7
431.35181	1.8
437.33902	0.7
455.35077	2.7
473.36215	21.9
474.36438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31251	0.4
59.66435	0.4
67.05509	1.2
69.03445	0.5
69.07059	0.5
69.10162	2.5
73.02904	0.4
79.05504	1.2
79.81498	0.3
81.07057	0.8
85.02915	0.4
86.35093	0.4
91.90202	0.4
93.07017	0.8
95.04972	0.4
105.03429	1.0
117.07005	0.4
131.08536	0.4
189.03525	0.4
210.73657	0.4
365.16391	0.7
397.66284	0.4
457.56409	0.4
491.25900	0.6
504.88068	0.4
507.23807	1.1
727.23816	0.5
815.45544	0.8
833.44385	100.0
834.44873	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	833.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.7
67.05486	4.6
69.03435	2.6
69.07063	1.5
71.04988	0.9
73.02918	2.9
77.93078	0.8
79.05491	5.6
81.03423	2.2
81.07043	5.9
83.04984	1.2
83.08626	2.2
85.02915	3.4
91.03963	2.2
91.05455	5.3
93.06991	4.0
95.04987	3.1
95.08592	3.8
97.02871	4.6
97.06539	1.2
98.22662	1.5
101.02364	2.0
105.07018	3.9
107.04908	1.0
107.08616	2.5
109.10149	1.3
111.08055	0.7
112.57310	0.7
115.57597	0.8
117.07059	1.6
118.68166	0.8
119.08563	3.7
121.06546	0.8
121.10132	1.9
123.08028	1.2
127.03917	1.2
131.08620	1.3
133.10167	2.1
135.08073	1.1
135.11667	2.0
145.10123	1.2
147.11739	1.2
149.02368	1.2
149.09604	1.6
159.11720	1.0
163.11171	1.3
163.49982	0.8
196.13895	0.9
203.05296	1.0
243.08521	2.8
305.17157	1.9
333.20383	3.7
431.27231	0.9
523.25043	10.0
551.28198	6.0
623.30090	0.8
705.38202	1.1
747.39099	6.1
787.41260	1.2
815.45941	1.4
833.46216	100.0
834.46667	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	833.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.6
66.26945	0.4
67.05493	3.9
69.03408	2.8
69.07067	2.1
69.76116	1.3
71.01350	0.5
71.04970	0.6
73.02894	2.9
79.05499	3.7
81.03414	1.5
81.07040	5.1
81.07433	0.5
83.04971	0.9
83.08617	1.3
85.02908	3.0
91.03973	1.4
91.05457	3.4
93.07026	3.7
95.04974	1.5
95.08580	3.2
97.02883	3.7
97.06512	0.5
98.12259	0.4
98.23425	0.6
101.02357	1.1
103.03944	0.4
105.07011	2.1
107.04930	0.8
107.08603	1.8
109.02866	0.6
109.06498	1.0
109.10169	1.1
111.04527	0.4
117.07018	0.9
119.08546	2.0
121.10148	1.2
123.08079	0.8
123.11777	0.4
125.09615	0.5
127.03880	0.7
129.05460	0.4
131.08563	0.9
133.06470	0.4
133.10114	1.2
135.08037	0.7
135.11769	0.4
137.09636	0.9
143.08601	0.5
145.10143	0.7
147.11751	0.7
149.09653	1.3
163.11198	0.9
173.13306	0.4
185.04205	0.5
209.08298	0.4
243.08385	3.5
275.16260	0.4
275.20068	0.7
277.34732	0.4
301.09055	0.5
305.17267	1.6
315.10614	0.8
333.20319	2.9
389.23001	0.6
395.16730	0.7
523.25140	6.8
524.25714	0.5
551.28186	4.5
739.39185	0.5
747.39032	1.0
815.46637	0.7
833.46307	100.0
834.46686	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	833.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
67.05490	5.1
69.03418	4.1
69.07056	1.6
69.94994	0.7
69.95308	1.1
71.01339	0.6
73.02909	4.0
79.05480	5.9
81.03405	1.7
81.07046	4.6
83.04980	0.9
85.02888	6.3
86.25092	0.5
90.79520	0.5
91.03944	4.1
91.05434	3.1
93.07033	5.6
95.04946	1.1
95.08582	3.0
97.02879	5.3
98.23421	0.8
99.04440	1.0
101.02377	1.7
105.07049	1.5
107.08589	1.6
109.02883	0.7
109.06502	0.8
109.10178	1.3
115.03939	0.8
119.08560	1.3
121.10146	3.3
127.03926	1.8
129.05440	0.8
131.08543	0.8
133.10114	0.7
135.11734	1.3
145.10139	0.8
147.11694	0.6
159.11726	0.8
185.04214	1.6
201.03691	0.7
241.06828	1.2
243.08342	3.2
256.25458	0.6
267.70413	0.6
301.08896	4.5
307.22665	1.1
314.10898	0.6
315.10684	2.4
315.57724	0.6
327.10452	0.7
343.13797	1.0
355.13379	0.6
365.19409	1.7
371.16867	0.8
373.11185	1.7
385.18539	1.7
427.14948	0.6
454.74265	0.6
467.18930	0.6
481.20804	0.8
484.64297	0.6
491.26096	10.4
491.32614	1.0
550.26984	2.9
563.28558	2.7
577.30469	1.0
605.33185	1.1
634.37054	1.7
675.37659	1.5
677.38519	1.0
705.37866	0.8
731.39905	1.6
815.45569	1.7
833.46082	100.0
834.46143	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	833.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98383	0.5
61.02919	4.9
67.05496	5.6
69.03418	3.7
69.07057	1.1
69.95066	0.4
71.01366	0.8
71.04973	2.1
73.02916	4.0
79.05483	5.3
81.03426	1.4
81.07041	5.3
81.07428	0.5
83.04987	0.8
83.08624	0.8
85.02895	5.0
87.04463	0.7
89.06020	0.5
91.03951	4.0
91.05437	3.0
93.06499	0.8
93.07035	5.5
95.04974	1.1
95.08584	2.8
97.02872	3.8
97.06583	0.7
101.02407	1.0
104.03811	0.5
105.07041	2.1
107.08604	2.0
109.02845	0.8
109.06541	1.0
109.10173	1.3
117.07012	0.5
119.08558	1.1
121.10170	1.9
123.08096	0.5
123.11739	0.5
127.03944	1.5
129.05525	0.5
131.08577	1.1
133.10141	1.4
134.66017	0.4
135.11710	0.9
138.29810	0.5
145.10173	0.9
147.11699	0.5
150.35030	0.5
159.11714	1.1
185.04239	0.4
213.02798	0.5
219.77998	0.5
243.08447	1.7
282.40701	0.4
357.27634	0.6
363.21732	0.8
365.22839	3.9
491.26144	6.1
583.30804	2.4
584.26892	0.6
748.85999	0.5
786.20575	0.6
833.50024	100.0
834.50281	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	833.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.2
65.03921	0.6
67.05492	4.7
69.03427	3.8
69.07077	1.0
71.01386	0.6
71.04999	2.0
73.02909	4.3
79.05472	4.7
81.03426	2.0
81.07045	5.4
83.05014	0.5
83.08643	0.6
85.02894	5.6
91.03947	4.0
91.05434	2.4
93.07030	7.1
95.04987	1.1
95.08588	3.0
97.02863	6.0
101.02401	1.8
105.04491	0.6
105.07051	1.9
107.08604	1.7
109.02882	1.2
109.06601	0.5
109.10157	1.8
117.07003	0.8
119.08607	1.3
121.10171	2.0
125.09698	0.5
127.03966	1.9
128.44244	0.6
131.08578	1.0
133.10204	0.9
135.08116	0.7
135.11685	1.0
145.06093	0.5
145.10152	0.7
147.11739	0.9
159.11740	0.9
180.95049	0.6
184.07422	1.5
185.04329	0.6
203.05318	0.5
218.00964	0.5
243.08543	2.1
307.22928	1.1
346.03680	0.6
365.22964	5.6
491.26154	8.7
583.30731	3.1
833.50116	100.0
834.50421	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	834.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.7
67.01841	0.5
67.05481	1.5
69.03419	3.5
69.07058	1.8
69.27786	1.7
69.28189	0.7
70.06580	100.0
71.04980	0.5
71.06897	0.7
73.02900	0.5
79.05503	0.8
81.03407	7.4
81.07050	2.9
83.08591	0.9
85.02888	2.6
91.05418	0.5
93.07019	0.8
95.04982	0.4
95.08595	3.6
97.02879	6.1
97.10169	0.7
99.04425	2.2
107.08566	0.8
109.02858	14.4
109.10165	1.9
111.11698	0.8
112.07584	89.2
113.07922	1.3
115.03884	0.4
116.07073	1.2
121.02843	2.1
121.10087	0.5
123.11680	1.3
127.03014	0.7
127.03894	8.0
133.92203	0.4
137.13222	0.6
140.07039	59.5
141.07404	0.5
145.02859	0.7
145.04996	1.0
147.04333	0.6
151.14731	0.7
153.01828	0.7
158.08104	9.7
165.01807	0.4
177.05440	0.8
187.06013	3.4
200.09065	0.5
224.39990	0.4
230.10164	0.8
234.35196	0.4
242.10205	1.1
250.28491	0.4
255.38528	0.4
266.10193	2.9
281.28159	0.5
284.11258	11.6
285.11609	0.5
287.05441	31.5
288.05643	0.7
293.28265	0.9
302.12210	1.8
303.05017	0.4
308.70230	0.4
311.05698	0.6
311.29361	2.0
312.29819	0.5
329.06467	2.8
377.06506	0.7
389.03442	0.4
395.07428	0.6
414.07184	0.4
422.09158	0.5
533.12250	0.5
588.17084	2.1
621.72437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	0.6
67.07274	0.4
69.03416	6.2
70.06582	66.8
71.01362	0.6
71.04979	3.7
71.06925	0.6
71.44229	0.6
73.02908	0.5
75.21238	0.4
81.03403	21.7
82.70751	0.4
83.01345	0.7
85.02892	12.0
97.02879	8.6
99.04442	18.3
100.01315	0.4
103.03933	5.5
109.02863	37.1
110.47565	0.4
112.07587	64.8
113.07948	0.7
115.03970	0.6
116.07073	1.3
117.03357	0.4
121.02834	1.3
127.03896	100.0
128.04222	1.4
139.03877	1.1
140.07040	49.6
141.07352	0.7
145.02864	0.5
145.04936	9.1
147.04370	0.5
154.10118	0.4
158.06918	0.8
158.08096	7.6
164.67258	0.3
169.04930	7.6
177.05467	0.7
187.05981	15.6
212.09044	0.5
229.07037	24.7
230.07285	0.5
230.10184	1.1
242.10225	1.1
247.08099	10.6
248.08359	0.5
266.10217	2.8
284.11230	11.2
287.05466	8.7
288.05521	0.6
302.12213	1.5
329.06598	2.3
353.06207	0.6
356.00381	0.4
377.06412	0.6
395.07407	0.6
409.34430	0.4
588.16602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	0.7
67.01841	0.5
67.05481	1.5
69.03419	3.5
69.07058	1.8
69.27786	1.7
69.28189	0.7
70.06580	100.0
71.04980	0.5
71.06897	0.7
73.02900	0.5
79.05503	0.8
81.03407	7.4
81.07050	2.9
83.08591	0.9
85.02888	2.6
91.05418	0.5
93.07019	0.8
95.04982	0.4
95.08595	3.6
97.02879	6.1
97.10169	0.7
99.04425	2.2
107.08566	0.8
109.02858	14.4
109.10165	1.9
111.11698	0.8
112.07584	89.2
113.07922	1.3
115.03884	0.4
116.07073	1.2
121.02843	2.1
121.10087	0.5
123.11680	1.3
127.03014	0.7
127.03894	8.0
133.92203	0.4
137.13222	0.6
140.07039	59.5
141.07404	0.5
145.02859	0.7
145.04996	1.0
147.04333	0.6
151.14731	0.7
153.01828	0.7
158.08104	9.7
165.01807	0.4
177.05440	0.8
187.06013	3.4
200.09065	0.5
224.39990	0.4
230.10164	0.8
234.35196	0.4
242.10205	1.1
250.28491	0.4
255.38528	0.4
266.10193	2.9
281.28159	0.5
284.11258	11.6
285.11609	0.5
287.05441	31.5
288.05643	0.7
293.28265	0.9
302.12210	1.8
303.05017	0.4
308.70230	0.4
311.05698	0.6
311.29361	2.0
312.29819	0.5
329.06467	2.8
377.06506	0.7
389.03442	0.4
395.07428	0.6
414.07184	0.4
422.09158	0.5
533.12250	0.5
588.17084	2.1
621.72437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.6
67.05476	1.6
69.03407	1.9
79.05448	0.9
81.03381	1.1
81.07024	0.7
85.02871	1.9
89.03891	0.8
91.05491	0.9
93.07017	1.3
94.06566	2.7
95.04958	1.1
95.07287	1.0
95.08583	0.7
96.08096	2.5
97.02872	1.6
105.98600	0.6
108.08109	2.6
109.02882	1.1
110.09665	3.8
116.04964	3.0
120.08106	3.9
122.06010	7.2
123.28703	0.6
124.07580	4.6
127.03893	1.2
128.15752	0.5
136.07565	7.4
138.09114	4.8
140.06999	0.7
144.04433	7.4
146.05943	1.1
148.07535	2.2
150.05484	1.8
150.09084	0.9
152.07005	1.1
162.05475	4.4
166.08612	7.4
168.06534	1.1
172.03914	47.9
173.04265	1.4
174.05449	0.8
182.08093	1.1
185.10667	1.3
190.04971	10.8
197.08237	1.0
198.09097	1.9
199.08542	0.8
199.12262	0.9
201.10254	3.7
202.21663	0.6
204.06528	85.1
205.06805	1.7
206.62306	0.5
211.10114	0.8
212.10699	2.1
213.10114	2.9
214.10953	1.3
215.11761	3.1
218.08090	1.1
225.10168	3.9
227.08157	3.1
227.11800	1.2
228.12593	1.2
229.09686	1.8
229.13234	1.1
239.11699	1.2
240.10139	1.5
241.09717	5.9
241.13292	4.3
242.08234	0.5
242.10461	11.4
243.11188	6.1
244.09657	0.7
244.11963	0.9
251.11679	0.6
255.11320	2.0
256.12003	9.3
257.10464	0.7
257.12817	10.6
257.68002	0.6
258.11130	2.2
258.13623	1.9
259.11237	0.6
263.74390	0.6
267.11395	0.8
272.12781	0.9
279.11072	1.3
284.11496	5.3
285.12189	3.5
287.10193	1.6
289.15411	3.3
297.12210	2.3
299.13733	0.7
301.11798	1.0
302.12549	3.9
307.10614	1.1
315.13333	1.5
317.14908	100.0
318.15167	3.2
325.11783	12.4
329.11240	1.7
329.15033	1.6
339.13293	1.4
341.15082	0.7
343.12982	2.2
357.14383	23.6
358.14789	1.0
411.06738	0.6
432.19470	0.8
469.16125	0.7
476.18069	2.6
487.17010	8.4
488.17816	2.3
519.19659	1.5
519.27704	0.6
597.26782	2.0
609.22827	1.2
613.27008	0.7
641.25928	11.8
642.26190	1.5
673.28070	2.0
803.30847	3.3
835.38727	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27699	0.8
61.02925	8.9
63.81779	0.7
67.05500	8.8
68.05858	0.7
69.03418	5.0
69.07063	2.4
69.18485	5.1
71.04985	0.9
71.35149	0.7
73.02915	7.0
79.05477	11.0
80.85346	0.7
81.03409	3.1
81.07047	8.1
83.08638	1.2
85.02898	8.0
87.04472	1.0
89.67926	0.7
91.03961	4.8
91.05476	5.7
93.07030	8.6
95.04977	2.6
95.08099	0.7
95.08577	4.3
97.02894	6.5
98.23515	1.4
99.04420	1.7
101.02399	3.1
105.07031	4.4
107.08617	2.5
109.02891	1.1
109.06499	0.8
109.10164	2.5
117.07034	1.3
119.08601	3.6
121.10121	3.7
127.03914	2.2
131.08569	2.2
133.10144	1.1
135.08023	0.9
135.11728	1.8
145.10196	1.2
149.09688	1.4
159.11795	0.9
243.08498	2.7
273.18475	0.8
282.09171	0.9
291.33142	0.8
307.22644	1.4
308.23273	1.0
318.78714	0.8
331.18884	2.8
367.16776	1.1
491.26135	11.1
491.32742	1.4
549.26740	2.6
585.24304	1.1
748.84827	0.8
787.30194	0.8
799.46198	1.9
835.43536	100.0
836.43634	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	837.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05019	0.8
67.05498	2.0
69.03416	6.5
69.26292	4.5
70.06593	1.2
71.04982	1.3
77.03940	0.8
79.05495	1.6
80.05014	1.1
81.03400	2.8
81.07039	1.4
82.06580	1.0
83.04981	1.2
85.02883	7.2
91.05474	2.3
93.05804	0.9
93.07023	3.7
94.06564	7.4
95.04955	2.0
95.07304	3.4
96.08116	8.2
97.02888	4.1
99.04420	1.1
105.07043	1.0
105.93540	0.8
108.04427	1.2
108.08099	11.0
109.02867	2.7
110.09658	13.0
112.07598	1.0
120.04388	0.8
120.08070	10.3
122.06004	12.8
122.09686	1.2
124.07607	1.0
127.03915	2.4
136.07545	11.6
137.06036	1.3
138.05508	2.3
138.09117	13.7
140.06966	0.9
145.02869	1.2
145.10097	0.8
146.06053	0.9
147.04379	0.9
148.07510	4.1
150.09181	1.2
152.07056	1.0
160.07597	1.3
160.19882	0.7
164.07034	1.3
166.08604	17.6
167.06906	0.7
177.05495	2.2
211.08640	1.6
221.10718	2.5
223.08734	0.8
225.10246	1.4
235.08693	2.2
236.09399	0.7
236.43657	0.9
237.10266	2.1
244.80724	0.7
247.08754	2.4
248.09459	2.4
249.10193	20.9
250.10973	3.6
251.08307	0.8
251.11766	2.5
253.09877	0.9
259.10931	0.9
261.10330	2.5
262.10815	1.3
263.08200	1.1
263.11807	3.4
264.12527	1.0
265.09781	1.7
269.09390	0.9
271.10782	1.1
275.08136	2.0
277.09692	12.5
278.10446	2.9
279.11124	3.0
281.09210	0.8
281.12854	0.9
287.05508	3.1
289.09839	2.2
291.11215	3.7
293.09186	1.6
294.12445	4.3
295.10019	1.7
297.12689	0.9
309.12289	9.5
310.12973	4.0
311.14166	1.8
314.12885	1.9
315.14136	0.9
321.08588	1.5
323.10440	1.8
323.13943	1.2
324.14905	2.3
325.14413	3.4
326.12845	1.0
326.16458	1.0
327.14081	1.4
328.10797	2.3
328.14505	3.1
329.11584	1.4
329.15292	1.6
330.12534	1.1
330.16046	1.2
335.10266	1.1
337.12051	1.1
338.13074	2.5
339.14053	1.4
340.10739	1.2
340.14426	3.1
341.11862	1.5
342.12335	5.2
342.16519	2.1
343.13156	2.7
344.13998	2.6
352.14694	3.8
353.15067	2.3
354.12408	2.0
354.16092	2.3
355.09094	1.0
355.12875	4.3
356.13898	7.4
357.14697	4.0
358.11694	1.4
358.15564	1.9
366.12445	1.2
367.13123	2.2
368.14072	1.8
369.10751	1.1
369.14795	1.8
370.11697	2.8
370.15775	5.4
371.16370	2.0
372.13263	1.8
372.17361	3.5
373.14252	0.9
374.15179	1.6
380.13995	2.5
381.14801	1.5
382.11710	2.9
382.15625	3.4
383.12469	3.5
384.13196	8.6
385.14069	3.1
385.18149	2.0
386.14984	1.8
386.19135	1.0
397.14157	2.1
398.14893	8.8
399.15759	4.3
400.16678	8.0
401.13599	1.2
402.14590	2.5
403.14853	0.8
408.13342	1.1
410.15002	2.7
411.12418	0.8
412.12726	4.4
413.13733	1.6
414.18802	3.8
416.16110	4.1
417.16751	1.3
418.17438	1.2
426.14453	7.9
428.16080	8.7
429.17126	1.1
430.13852	1.7
431.15088	1.0
442.18262	8.2
443.14432	1.0
444.15335	5.5
446.17041	1.2
454.13885	29.7
455.14270	2.6
458.17133	1.9
460.19705	4.5
464.18353	1.3
468.15378	0.9
472.14966	46.5
473.15250	2.9
474.16525	9.7
475.17075	1.2
476.18079	2.1
486.16571	2.9
492.10471	1.6
492.17554	32.4
493.17273	1.0
504.17517	15.6
505.17719	1.0
506.19043	1.3
522.18646	3.1
597.22797	1.3
607.21936	5.6
611.25024	4.1
625.22784	26.3
626.22986	1.7
639.24249	18.6
640.24963	1.8
648.71527	0.8
657.25378	100.0
658.25592	8.1
675.26483	6.1
787.28149	1.2
819.29724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.7
67.05493	25.3
68.55332	0.6
69.03423	3.4
69.07059	8.7
71.04420	0.7
71.04999	4.0
77.03908	1.2
79.05479	44.7
81.03400	5.6
81.07043	100.0
82.07381	1.0
83.04973	9.6
83.08605	16.7
85.02882	5.0
85.06525	1.7
90.85968	0.6
91.05466	24.3
92.33701	0.6
93.07026	25.8
95.01323	1.0
95.04955	27.5
95.08587	14.8
97.06506	4.0
97.10155	8.2
99.04455	3.5
99.08104	0.9
103.05431	1.5
105.03382	2.1
105.04513	2.0
105.07012	18.9
105.36403	0.6
106.07340	0.6
107.04934	9.6
107.08573	16.0
109.06501	52.5
109.10143	6.5
110.06886	0.7
111.04428	9.3
111.08051	4.3
112.07600	0.8
112.29060	0.5
115.05424	1.4
116.06226	0.8
117.06992	14.4
117.07789	0.9
119.04919	1.0
119.08562	23.2
121.06476	9.4
121.10120	11.3
123.08051	5.6
123.11694	1.4
125.06019	0.8
125.09602	6.2
128.06244	2.0
129.06984	5.1
130.07793	1.1
131.04950	0.7
131.08542	12.8
133.06490	2.5
133.10114	8.0
135.08017	5.7
135.11655	6.5
137.09584	3.8
139.11159	1.1
141.06975	1.0
142.07794	0.8
143.08516	4.3
145.06465	1.7
145.10101	16.2
147.08031	9.8
147.11652	6.5
149.09586	12.2
149.13225	0.8
151.11108	0.9
153.09082	1.5
153.12724	2.0
155.08542	1.4
157.10123	4.6
159.08051	1.9
159.11673	5.4
161.09598	9.5
161.13226	1.8
163.11153	12.9
163.14781	0.7
165.09105	2.5
165.12762	2.4
167.08578	0.7
169.10086	1.9
171.10272	0.8
171.11678	2.5
172.30888	0.7
173.09573	3.0
173.11865	0.7
173.13289	2.0
175.11171	2.1
177.12737	1.6
181.10155	0.7
181.12241	2.7
183.10168	1.2
183.11557	1.1
185.13222	1.6
187.11172	1.6
189.11188	5.3
189.12688	0.8
191.10640	1.8
191.14331	0.9
193.12193	1.0
197.13240	1.1
199.11200	1.1
205.12289	1.3
209.13196	0.7
213.12793	1.0
223.13231	13.9
227.12787	2.6
227.17897	1.8
229.19473	1.1
239.17982	1.2
245.18999	1.7
247.20624	1.1
249.14824	3.2
255.17372	1.7
257.18991	3.1
273.18433	24.9
274.18726	0.9
275.20029	23.1
276.20444	1.0
283.09225	0.6
283.15341	2.1
291.19495	75.1
292.19949	2.5
293.21045	8.9
309.20523	1.6
329.21088	0.7
347.22134	11.6
349.23672	16.5
350.24039	1.1
365.23181	19.6
367.24753	13.5
368.25027	0.7
373.24866	0.6
457.29828	1.3
475.30475	1.2
555.33539	0.7
621.41376	7.7
639.42365	20.0
640.43005	1.9
657.43530	15.5
658.43707	1.4
758.87549	0.6
837.48743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36296	0.4
64.56834	0.4
65.03934	4.8
67.05492	1.0
67.12330	0.4
67.68269	0.4
69.03413	1.8
70.06577	1.3
70.73376	0.5
71.04974	0.6
74.06066	1.1
75.04460	1.9
75.44468	0.4
76.89597	0.4
79.05476	1.6
80.04981	0.6
81.03409	1.3
82.06617	0.9
85.02887	1.6
88.07618	0.9
91.05463	3.1
93.07011	1.0
94.06563	3.3
95.04961	2.4
96.08119	0.7
97.02892	0.9
97.06538	0.9
98.09095	0.5
98.23435	0.4
99.04445	1.0
103.05442	1.1
105.07014	1.9
107.04949	1.0
107.07337	1.3
107.08559	0.5
108.08119	2.5
109.02881	0.9
110.05992	0.6
111.04423	3.0
112.07582	0.8
115.05451	1.5
117.07006	2.0
119.04921	1.0
119.08564	0.6
120.08123	0.9
121.02856	99.8
121.03883	3.9
121.06480	1.8
122.03232	0.8
122.06022	0.6
122.09630	0.6
123.04406	1.7
124.07598	1.0
127.03895	1.7
128.06207	1.1
129.06996	2.4
131.04945	1.1
131.07324	1.5
131.08542	0.7
132.08104	1.6
135.04448	0.6
135.08075	0.7
136.07552	0.6
137.06012	1.4
138.09163	3.2
139.03882	0.5
141.06952	0.5
144.08080	2.3
145.06453	2.9
145.08881	0.7
146.09627	2.3
147.04424	0.5
147.06952	0.5
147.08018	2.2
148.07506	0.6
149.05991	1.4
150.09119	0.7
152.06123	0.5
155.08476	0.6
157.06517	0.6
158.09659	1.4
159.08002	1.2
160.07541	2.2
161.06006	0.7
161.08374	0.5
162.09128	1.3
163.07507	3.3
164.10722	1.4
165.07031	1.2
167.08553	0.6
169.06519	0.8
170.09624	0.8
171.08061	0.6
172.07602	0.7
172.11133	0.7
174.09142	1.5
176.01199	0.5
176.10680	0.6
177.05516	0.8
177.09122	2.1
178.07739	0.9
178.12231	0.6
179.08585	1.8
181.06499	0.6
181.10194	0.6
186.09152	1.0
187.07422	1.0
190.07693	0.5
190.08836	0.6
191.08453	2.4
193.10201	1.4
194.07257	0.7
194.09576	0.5
195.08075	1.2
197.09642	0.5
200.10692	0.9
202.07747	1.1
202.12224	0.7
203.08562	1.8
204.10179	1.7
205.10168	1.9
207.08086	2.3
207.11829	0.9
208.08791	0.7
208.13327	0.8
209.09619	2.3
212.10738	0.7
215.08582	1.1
217.10153	1.8
218.07312	1.6
218.11789	1.3
219.08044	2.2
220.08882	0.7
220.11102	0.6
220.13402	0.7
221.09573	3.5
221.11458	0.5
222.12846	0.6
223.11134	1.6
224.10672	0.6
225.09178	0.9
226.12245	0.6
231.08138	0.7
232.08934	0.5
233.09724	3.2
233.11766	0.6
234.12799	0.9
235.07520	1.0
235.11143	1.3
236.08272	0.8
236.10751	0.7
237.09090	1.8
237.12785	0.8
241.12054	0.5
242.11589	0.6
245.09682	1.1
247.11121	0.6
248.08488	0.7
248.10718	1.8
249.09369	0.6
249.12628	0.7
250.09949	0.7
250.12355	1.6
251.10645	2.5
252.13863	0.6
261.09088	1.2
261.11523	0.9
262.12344	1.8
263.10577	0.9
264.13742	0.7
265.12253	1.8
267.10162	0.5
269.11884	0.7
270.14761	0.8
275.06079	0.5
276.13901	1.1
280.13364	1.1
282.15268	0.5
283.13336	0.5
286.12128	0.9
292.13385	1.3
293.11758	1.4
294.14896	0.9
297.14850	0.6
304.13382	1.4
310.14359	0.7
312.15961	0.8
318.14981	0.6
326.17380	0.7
336.16025	1.3
342.16934	0.9
350.17676	0.6
354.17026	0.9
368.18680	1.6
386.19904	0.9
400.21222	0.8
418.22409	0.7
474.19421	1.4
480.20438	1.0
492.20605	0.5
506.21838	3.2
538.24408	2.5
556.25427	5.9
598.26239	0.7
668.26440	1.1
676.30219	0.7
700.29456	4.2
718.30762	2.7
728.29193	0.8
760.31689	3.4
778.32544	9.6
779.33411	0.5
820.33893	0.5
838.34796	100.0
839.35461	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	838.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03592	0.3
65.03930	4.1
67.05500	0.2
69.03414	1.4
70.06586	0.8
71.04951	0.2
74.06064	0.2
75.04456	0.4
79.05464	0.3
81.03397	0.3
82.06570	0.2
85.02887	1.4
86.06010	0.2
88.07604	0.3
91.05463	0.8
93.07043	0.2
93.66494	0.2
94.06550	0.8
95.04942	0.6
96.08101	0.5
97.02874	0.9
97.06483	0.1
99.04423	0.3
99.64405	0.2
103.05442	0.3
105.07019	0.5
107.04882	0.2
107.07319	0.4
108.08092	1.0
109.02841	0.5
109.06498	0.3
110.06055	0.2
111.04433	3.3
112.07592	0.3
115.05432	0.3
117.05754	0.3
117.06992	0.6
119.04900	0.3
119.08544	0.2
120.08075	0.7
121.02848	100.0
121.03864	4.3
122.03151	1.3
122.05997	0.3
123.04396	0.2
124.07547	0.4
127.03889	1.0
128.06203	0.4
129.07010	0.9
131.04900	0.2
131.08543	0.7
132.08067	0.6
133.02791	0.3
133.08859	0.2
134.09625	0.3
137.02336	0.4
137.05948	0.5
138.09128	1.5
139.03871	0.6
141.06839	0.4
143.08521	0.2
144.08051	0.5
145.02734	0.2
145.06445	0.4
145.08789	0.2
146.03629	0.2
146.05984	0.5
146.09621	0.4
147.04414	0.6
147.08070	0.4
148.07538	0.2
149.05951	0.2
150.09161	0.2
153.06982	0.4
155.08490	0.3
158.09637	0.7
159.08060	0.4
160.07552	1.7
161.09663	0.3
162.09164	0.3
163.03816	0.2
163.07602	0.4
164.10750	0.2
165.05583	0.3
165.06989	0.4
166.08818	0.2
167.08565	0.5
169.06490	0.2
170.09671	0.6
171.08044	0.3
172.03925	0.6
172.11214	0.6
174.05505	1.0
176.07050	0.4
176.10660	0.5
177.05490	0.6
178.07750	0.3
179.08534	0.6
180.09409	0.2
181.10065	0.2
182.09676	0.3
183.08096	0.3
184.11183	0.5
188.07080	0.3
188.10738	0.3
190.07672	0.3
190.12280	0.3
191.08553	0.5
192.06630	0.4
192.09248	0.2
193.10132	0.6
195.08069	0.4
196.11148	0.3
197.05774	0.2
200.10660	0.3
202.07793	0.3
202.12199	0.2
203.08534	0.5
204.06528	0.9
204.13805	0.8
205.06897	0.3
205.10139	0.7
207.08092	0.3
207.11638	0.3
208.11281	0.2
209.09534	0.4
214.12183	0.2
215.08603	0.4
217.10207	0.3
218.07318	0.4
219.08092	0.3
221.09561	0.4
222.14856	0.2
223.07796	0.2
223.11177	0.4
224.10646	0.2
233.09653	0.9
233.11786	0.3
234.12756	0.2
235.07507	0.2
235.11180	0.3
237.09026	0.2
245.09677	0.3
248.10623	0.2
249.09137	0.2
250.12260	0.3
251.10719	0.4
259.10825	0.2
261.09131	0.7
262.12408	0.3
263.10709	0.2
263.56882	0.2
268.13480	0.2
276.13864	0.3
293.11670	0.4
294.15085	0.2
298.17996	0.2
308.13129	0.2
308.16321	0.3
311.12726	0.2
319.12839	0.2
325.11624	0.2
326.12070	0.2
326.17603	0.2
336.15997	0.6
340.19125	0.6
342.16837	0.2
354.17087	0.6
357.14197	0.3
358.19962	1.0
360.17953	0.2
368.18646	0.2
386.19675	0.5
396.17868	0.5
400.21533	0.3
404.20972	0.2
418.22327	0.5
446.21933	0.2
460.23294	0.2
474.19287	0.2
478.22272	0.4
492.19803	0.3
496.23376	0.5
506.21890	0.7
524.22913	0.7
538.24414	1.0
556.25348	1.7
566.23853	0.5
598.26471	0.7
616.27527	1.0
620.30682	0.2
658.27856	0.3
668.27002	0.3
676.28857	0.5
686.27795	0.2
700.29706	0.6
718.30804	0.7
728.29779	0.2
760.31439	0.7
761.57849	0.2
778.32544	3.1
779.32379	0.2
838.34735	47.0
839.34979	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	838.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43993	1.6
65.03930	3.0
67.05499	30.4
69.03419	6.3
69.07057	15.2
70.56338	3.1
70.56680	2.3
71.05003	3.2
71.05350	1.5
79.05483	38.8
81.03411	78.3
81.07050	47.7
81.07413	0.9
83.04982	9.3
83.08611	19.6
85.02882	1.8
91.05468	35.7
93.07034	25.8
95.01298	1.5
95.04958	37.0
95.08585	14.0
97.02875	4.2
97.06514	4.1
97.10159	13.2
105.03347	3.0
105.04493	1.6
105.07020	24.3
107.04951	13.5
107.08585	23.0
109.02878	4.5
109.06519	14.2
109.10126	8.6
111.04403	3.4
111.08077	5.4
115.05434	4.9
117.01054	2.0
117.06998	13.2
119.04923	1.7
119.08563	28.5
121.06497	12.5
121.10098	10.8
123.04421	2.0
123.08048	7.7
125.06110	1.8
125.09603	6.6
126.71909	1.5
128.06232	2.9
129.01025	2.9
129.06998	12.1
130.98917	2.3
131.08548	14.2
133.06485	6.8
133.10112	14.1
135.08041	18.6
135.11682	1.9
137.09590	6.8
141.06946	2.8
142.07790	1.9
143.08534	6.9
145.06453	4.3
145.10115	6.2
147.08005	6.5
147.11696	9.3
149.09602	9.3
151.07402	3.2
153.06976	2.2
153.09103	1.9
155.08525	3.6
157.10144	10.3
159.08067	6.2
159.11649	3.8
161.09604	8.9
163.07530	7.8
163.11145	5.5
165.12788	1.7
168.95573	1.6
169.10100	3.4
171.05690	5.6
171.08054	1.9
171.11606	2.2
173.13222	2.1
175.11169	10.8
177.12766	2.1
185.09508	1.5
189.11211	3.6
191.10638	2.5
193.12172	19.8
197.13109	2.2
199.05104	1.9
199.14859	1.7
215.14275	5.9
219.14047	1.7
227.12675	3.1
243.17386	2.9
249.14658	1.5
261.14682	1.8
261.18402	2.3
267.15863	88.4
268.16208	3.8
271.16919	4.9
275.20068	1.7
289.17896	10.8
291.19479	2.5
311.19922	2.8
329.21179	2.3
335.18478	8.2
363.21570	3.0
381.22678	4.8
387.68005	1.7
389.23413	1.9
399.19269	62.0
399.24442	3.1
400.19504	2.5
407.24313	3.0
463.28452	3.1
481.29379	3.4
486.59924	1.6
499.30695	9.7
537.31610	4.5
555.33093	100.0
556.33258	6.4
573.33545	5.1
591.30743	66.1
592.30908	5.4
609.31793	12.4
633.32043	3.5
641.36548	11.1
677.39362	2.0
838.49780	1.9
839.41370	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	838.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43993	1.6
65.03930	3.0
67.05499	30.4
69.03419	6.3
69.07057	15.2
70.56338	3.1
70.56680	2.3
71.05003	3.2
71.05350	1.5
79.05483	38.8
81.03411	78.3
81.07050	47.7
81.07413	0.9
83.04982	9.3
83.08611	19.6
85.02882	1.8
91.05468	35.7
93.07034	25.8
95.01298	1.5
95.04958	37.0
95.08585	14.0
97.02875	4.2
97.06514	4.1
97.10159	13.2
105.03347	3.0
105.04493	1.6
105.07020	24.3
107.04951	13.5
107.08585	23.0
109.02878	4.5
109.06519	14.2
109.10126	8.6
111.04403	3.4
111.08077	5.4
115.05434	4.9
117.01054	2.0
117.06998	13.2
119.04923	1.7
119.08563	28.5
121.06497	12.5
121.10098	10.8
123.04421	2.0
123.08048	7.7
125.06110	1.8
125.09603	6.6
126.71909	1.5
128.06232	2.9
129.01025	2.9
129.06998	12.1
130.98917	2.3
131.08548	14.2
133.06485	6.8
133.10112	14.1
135.08041	18.6
135.11682	1.9
137.09590	6.8
141.06946	2.8
142.07790	1.9
143.08534	6.9
145.06453	4.3
145.10115	6.2
147.08005	6.5
147.11696	9.3
149.09602	9.3
151.07402	3.2
153.06976	2.2
153.09103	1.9
155.08525	3.6
157.10144	10.3
159.08067	6.2
159.11649	3.8
161.09604	8.9
163.07530	7.8
163.11145	5.5
165.12788	1.7
168.95573	1.6
169.10100	3.4
171.05690	5.6
171.08054	1.9
171.11606	2.2
173.13222	2.1
175.11169	10.8
177.12766	2.1
185.09508	1.5
189.11211	3.6
191.10638	2.5
193.12172	19.8
197.13109	2.2
199.05104	1.9
199.14859	1.7
215.14275	5.9
219.14047	1.7
227.12675	3.1
243.17386	2.9
249.14658	1.5
261.14682	1.8
261.18402	2.3
267.15863	88.4
268.16208	3.8
271.16919	4.9
275.20068	1.7
289.17896	10.8
291.19479	2.5
311.19922	2.8
329.21179	2.3
335.18478	8.2
363.21570	3.0
381.22678	4.8
387.68005	1.7
389.23413	1.9
399.19269	62.0
399.24442	3.1
400.19504	2.5
407.24313	3.0
463.28452	3.1
481.29379	3.4
486.59924	1.6
499.30695	9.7
537.31610	4.5
555.33093	100.0
556.33258	6.4
573.33545	5.1
591.30743	66.1
592.30908	5.4
609.31793	12.4
633.32043	3.5
641.36548	11.1
677.39362	2.0
838.49780	1.9
839.41370	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	838.478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	6.2
65.03930	4.2
67.05495	89.9
69.03426	13.2
69.07054	30.5
69.96526	6.8
71.01340	4.2
71.04981	10.2
73.02914	3.1
74.06066	2.1
79.05483	54.4
81.03408	100.0
81.07043	71.1
83.04961	16.3
83.08603	34.1
85.02892	4.9
85.06501	2.5
87.04459	5.8
87.29653	1.9
91.05466	48.8
93.07030	45.1
94.04171	2.3
95.04956	52.3
95.08593	22.2
97.02866	11.3
97.06512	13.5
97.10155	25.8
99.04421	5.3
99.08076	4.7
105.04459	2.9
105.07024	33.1
107.04934	23.0
107.08569	26.7
109.02879	5.1
109.06514	18.9
109.10143	45.9
111.04457	10.1
111.08062	16.1
116.04723	4.5
117.05466	3.4
117.06991	18.3
119.08570	36.6
121.06503	12.6
121.10139	20.1
123.04408	5.9
123.08041	13.8
125.09618	23.6
128.06189	4.3
129.05470	18.1
129.06976	14.5
131.04971	2.0
131.08560	22.1
133.06482	6.7
133.10126	15.1
135.08049	11.8
135.11674	12.7
137.05981	2.4
137.09615	15.1
142.07791	2.8
143.06992	4.4
143.08496	6.0
145.06456	2.9
145.10126	13.0
147.08011	13.8
147.11649	14.0
149.09590	11.8
149.13199	3.5
151.07544	3.6
153.09084	6.4
153.12668	3.8
155.08539	4.4
155.10599	3.5
157.08580	8.2
157.10104	16.1
159.08054	4.6
159.11630	4.9
161.09618	9.5
163.11148	19.7
165.09097	3.7
165.12761	6.4
169.10068	2.2
171.10228	4.4
171.11682	4.9
173.09514	4.2
173.11708	11.7
173.13144	3.4
175.11157	14.1
179.10739	2.5
181.12184	8.1
185.13235	2.6
189.09387	2.4
189.11197	10.0
189.12723	4.0
191.10670	4.7
193.12204	38.1
195.11617	3.0
201.14844	3.5
205.12152	2.3
209.11690	5.6
211.13229	5.5
217.14148	2.2
219.13789	5.8
221.11708	5.1
227.12682	17.0
229.14276	37.2
233.15213	2.7
235.13329	2.7
245.18895	4.3
249.14859	5.5
263.19980	3.1
267.15872	94.3
273.18393	25.3
273.20981	2.8
283.15344	9.0
289.17862	8.2
291.19516	31.2
309.20599	2.9
327.19510	5.9
329.20856	4.3
345.20609	3.2
347.22177	7.9
359.22205	3.2
363.21622	2.8
365.23212	17.2
381.22470	4.3
399.23676	39.6
419.24326	3.3
421.25644	10.9
443.28226	2.3
447.27670	3.9
461.28735	7.8
463.27127	3.4
519.32837	10.1
537.33270	3.7
539.33704	5.6
541.35010	2.8
555.32971	5.2
556.32916	2.4
557.34589	28.7
573.33722	6.1
591.35150	98.4
592.34961	5.1
676.39020	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33173	0.5
62.98960	0.5
67.05488	2.5
70.06578	7.3
70.41434	1.2
71.08609	1.6
72.08116	0.5
76.19638	0.6
79.05476	1.1
81.03400	1.0
81.07039	1.3
83.08612	0.6
85.10166	0.6
85.18678	0.6
88.07616	9.5
91.05466	1.0
93.07025	0.7
95.04935	1.8
102.09206	2.9
105.03373	2.7
105.06992	0.7
106.08640	5.1
119.08607	1.1
125.09623	0.7
145.10143	0.8
193.63637	0.8
205.11844	0.6
223.78412	0.6
256.26251	4.6
267.15884	0.7
274.27362	100.0
275.27667	2.5
543.70404	0.6
582.00049	0.7
726.27386	0.7
838.33990	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	838.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	0.9
61.02914	2.1
65.03926	1.8
67.05496	40.2
69.03416	3.4
69.06701	1.7
69.07058	24.1
71.04989	1.9
73.02906	1.1
77.03917	0.8
79.05480	38.0
81.03427	4.8
81.07045	55.1
83.04981	5.7
83.08617	9.1
85.02902	3.2
85.06544	2.0
87.04424	0.9
91.03905	0.8
91.05467	26.0
93.06428	1.6
93.07030	34.3
95.04959	9.1
95.08591	28.0
97.02879	2.9
97.06530	3.3
97.10147	9.2
99.00803	2.9
99.08072	2.1
105.04506	2.0
105.07015	16.3
107.04917	6.1
107.08575	22.7
109.02876	4.5
109.06509	6.0
109.10136	14.7
111.04436	2.8
111.08053	3.3
115.05447	1.6
117.07001	9.0
119.08562	17.3
121.06502	4.5
121.10137	14.2
123.04432	2.5
123.08078	3.5
123.11715	4.4
125.09615	8.5
127.03858	1.0
128.06256	1.2
129.06967	2.2
131.08537	9.7
133.06453	0.9
133.10123	14.6
135.08032	8.3
135.11684	9.1
137.05995	1.4
137.09599	5.4
137.13258	1.2
139.07539	0.9
139.11107	1.1
143.08553	3.7
145.06427	3.2
145.10107	9.1
147.08064	3.6
147.11681	5.7
149.09616	2.4
149.13252	5.0
151.07503	1.4
151.11156	2.2
153.09129	1.3
153.12759	2.6
155.08545	1.4
157.10126	1.7
159.08017	4.8
159.11717	5.3
161.09621	4.9
161.13251	3.5
163.07533	6.6
163.11192	3.1
163.14780	2.1
165.09103	1.3
165.12756	1.1
169.10060	1.7
171.08018	1.0
171.10225	1.2
171.11656	1.8
173.09628	2.9
173.11884	1.0
173.13289	3.0
175.11147	1.2
175.14848	1.4
177.12775	1.1
179.10690	1.9
181.12224	1.6
183.11604	1.2
185.13313	1.5
187.11273	1.0
187.14825	2.7
189.09319	1.4
189.11201	8.4
189.12738	1.4
191.10660	1.6
191.14198	1.1
193.12204	13.6
197.13243	1.1
199.14902	0.8
201.16347	1.2
207.10056	0.9
209.11722	0.9
211.13202	1.3
211.76141	0.9
215.14305	1.1
221.11647	1.2
225.11206	1.0
227.12729	10.5
243.17348	1.6
243.20955	3.9
245.13802	1.0
259.20538	1.5
261.18579	2.5
261.22131	12.6
271.16754	4.3
273.18625	1.6
273.21747	0.9
275.20041	1.3
277.21655	1.2
279.19553	1.2
279.23163	1.8
283.15350	4.0
289.17938	23.6
291.19366	2.8
307.19025	6.5
317.24670	2.3
320.55655	1.0
329.50290	0.8
333.24146	1.3
335.25748	97.6
336.26193	3.4
341.24863	1.1
363.21591	10.1
379.29840	1.4
381.22659	100.0
382.23022	4.4
397.30896	2.9
425.55505	0.8
431.31754	1.0
469.32675	1.5
513.35437	1.3
515.36975	1.9
527.37067	1.3
531.37396	1.7
543.36554	4.3
549.39478	1.8
567.40186	2.5
605.42389	1.0
608.41895	0.9
623.42963	14.3
641.44012	60.8
642.44244	3.5
659.44324	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.8
65.03944	3.4
67.05497	50.7
69.03403	2.3
69.04572	1.2
69.07066	23.9
71.04992	3.6
75.19492	1.4
77.03919	2.3
79.05484	42.0
81.03420	5.6
81.07048	61.5
83.04990	8.1
83.08609	11.9
85.02899	3.9
91.05469	29.8
93.07034	43.9
93.07597	2.8
95.04956	13.4
95.08596	38.9
97.02909	3.2
97.06530	7.3
97.10171	10.5
98.22703	4.3
99.00814	2.7
99.04430	1.7
103.05503	1.8
105.04530	2.2
105.07018	24.1
107.04942	6.6
107.08580	24.8
109.02876	4.1
109.06515	8.0
109.10152	18.0
111.04435	3.0
111.08092	3.8
115.05400	1.7
117.07023	10.9
119.08566	19.7
121.06479	4.1
121.10114	17.8
123.04430	2.2
123.08073	5.3
123.11731	5.3
125.05967	1.6
125.09608	10.3
129.07021	1.8
131.08543	11.0
133.06459	2.0
133.10126	17.2
135.04375	1.5
135.08041	9.2
135.11664	12.8
137.09610	4.8
137.13223	2.0
143.08522	3.7
145.06453	2.0
145.10117	11.8
147.08072	3.0
147.11699	9.7
149.13268	4.7
151.11177	3.9
153.09167	2.7
153.12753	2.4
155.08510	1.6
157.10120	2.3
159.08025	3.8
159.11696	4.9
161.09619	5.7
161.13261	5.6
163.07538	6.8
163.11203	3.2
163.14845	2.8
164.13667	1.6
165.86751	1.2
169.10245	2.0
171.10327	1.8
171.11691	2.7
173.09605	2.5
173.13220	3.4
175.11238	2.1
177.09071	2.3
179.10690	2.4
181.12219	2.2
187.14758	3.1
189.09328	1.5
189.11218	4.8
191.10669	3.2
193.12204	11.9
225.11038	1.6
227.12711	6.9
233.15277	2.3
243.17412	2.2
243.21156	2.5
259.20508	2.2
261.18533	3.1
261.22131	15.7
271.16904	4.3
283.15475	2.5
289.17923	20.7
307.18994	4.7
317.24725	3.6
335.25748	100.0
336.26077	3.5
363.21448	7.2
381.22665	60.6
382.23184	2.7
397.31024	2.9
543.36761	3.4
586.15094	1.6
623.43121	11.5
624.44318	1.6
641.44025	63.5
642.43835	4.3
758.46088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86672	2.2
65.03947	3.4
67.05495	66.7
68.81846	2.0
69.03421	10.4
69.07058	38.4
69.32675	10.4
71.04997	7.0
74.62256	2.1
79.05481	68.7
81.03380	11.0
81.07043	97.6
82.79369	2.7
83.04979	11.4
83.08602	46.3
85.02898	3.4
85.06555	5.2
87.04462	5.9
87.84048	2.3
91.05466	67.7
92.05803	2.9
93.07033	64.0
93.07598	4.2
95.04950	34.7
95.08588	40.8
97.02870	5.4
97.06531	14.0
97.10160	13.1
105.04544	2.7
105.07014	70.4
107.04936	21.9
107.08575	36.8
109.06522	18.0
109.10124	18.8
111.04436	5.1
111.08049	7.4
113.79642	2.3
115.05437	3.5
116.88070	2.8
117.06992	19.3
119.08555	48.8
121.06465	12.1
121.10120	25.7
123.08047	8.8
123.11698	5.7
125.09650	10.9
128.06160	2.8
129.07007	11.9
131.08548	32.2
133.06450	3.8
133.10106	41.2
135.07996	10.8
135.11679	11.2
136.07458	2.5
137.09575	4.3
141.06969	4.0
142.07805	2.9
143.08543	9.4
145.06497	4.7
145.10098	27.1
147.08008	5.3
147.11649	26.6
149.09633	16.2
149.13242	10.0
151.11188	2.6
155.08588	3.8
157.10115	7.7
159.11667	18.7
160.64197	2.4
161.09579	4.5
161.13260	10.9
163.11177	19.1
165.12759	4.5
167.08490	2.6
169.10152	6.0
171.11728	7.5
173.13274	9.5
175.11108	2.7
175.14835	6.2
177.12772	7.9
179.14203	4.6
181.10094	3.2
181.12268	2.2
183.11708	4.8
185.13213	5.3
187.11162	5.2
189.11237	7.9
191.10655	4.0
191.14229	2.9
193.12283	3.5
197.13179	4.6
204.86510	2.3
205.12210	3.6
222.14970	3.5
223.13235	15.9
227.12868	7.7
239.17963	5.7
241.19490	7.5
241.70000	2.8
247.20479	2.7
257.19061	8.7
259.20477	14.6
273.18481	8.2
275.20029	79.3
276.20364	3.8
289.18042	4.2
291.19461	42.2
293.21039	18.1
331.22787	3.2
333.24164	23.8
335.25699	16.3
349.19388	3.7
349.23663	68.6
349.27750	4.3
350.24020	3.5
365.23163	16.5
367.24683	40.4
368.25186	3.1
381.22754	6.5
513.36304	3.0
525.35492	4.4
543.36761	7.6
623.42841	80.4
624.43054	4.2
641.43976	100.0
642.43976	6.5
659.44800	5.2
670.07739	2.6
778.65741	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	838.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51366	2.4
67.05498	31.9
69.03431	4.0
69.07058	15.3
71.04983	3.5
71.68812	2.2
79.05478	30.6
81.03413	5.6
81.07046	46.5
83.04980	7.7
83.08604	21.5
85.02885	4.2
85.06486	2.5
90.96274	2.0
91.05473	33.7
91.08389	2.1
93.07033	34.3
95.04961	49.4
95.08597	29.2
97.06525	7.0
97.10149	6.9
105.07021	32.8
107.04926	13.9
107.08578	30.9
109.06519	13.3
109.10163	11.9
111.04415	6.3
111.08054	6.5
117.06999	12.8
119.08556	21.4
121.06468	12.3
121.10120	21.7
123.08081	5.3
123.11665	2.5
125.09618	6.3
127.07707	2.4
128.91229	2.5
129.06973	6.5
131.08531	21.2
133.06454	3.1
133.10121	17.9
135.08032	8.6
135.11714	9.0
137.09599	3.6
143.08548	6.9
145.10106	23.7
147.08043	5.0
147.11668	17.1
149.09633	20.0
149.13281	3.9
155.08557	2.5
157.10056	2.7
159.08055	3.7
159.11679	17.9
161.09630	3.0
161.13246	4.4
163.11139	20.0
165.12721	2.6
171.11632	2.5
173.09573	3.1
173.13226	4.3
177.12766	5.0
183.11687	5.0
184.07353	3.3
187.11214	2.7
189.11261	3.3
196.89188	2.2
197.13170	2.6
201.12703	4.1
205.12181	3.0
207.13797	3.2
223.13280	19.1
227.12706	3.4
229.19455	3.5
239.17978	5.2
247.20563	3.3
257.18942	10.6
273.18515	2.7
275.17010	4.8
275.20032	100.0
291.19498	4.7
293.21033	32.1
331.22617	3.1
349.19427	3.8
349.23676	71.6
349.27762	5.0
350.24115	2.5
367.24774	19.2
418.21609	2.6
418.60776	2.9
437.25299	2.9
447.84665	2.4
564.74054	2.9
623.42877	55.5
624.43433	5.0
641.44049	65.8
642.44855	4.3
646.22601	2.9
838.48370	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	839.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60741	0.1
69.03419	13.7
69.19570	0.4
69.19975	0.6
70.06577	0.3
81.03412	0.2
85.02901	0.4
93.07004	0.1
97.02878	100.0
98.03215	0.9
105.06982	0.2
109.02811	0.2
115.03912	0.6
121.02867	0.3
127.03895	0.4
129.55946	0.2
137.05898	0.2
139.03877	28.5
140.04221	0.3
145.02814	0.2
147.04301	0.2
149.55678	0.1
153.01778	0.2
157.04941	12.8
166.08620	0.2
177.05396	0.4
199.04280	0.3
199.05995	4.2
210.05652	0.2
259.08096	0.8
287.05435	4.2
299.05386	0.6
337.06985	0.3
365.06512	0.8
403.53107	0.2
449.10684	0.2
527.10925	0.2
545.12500	0.7
647.15912	0.2
696.68524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28954	0.2
62.16241	0.2
66.07323	0.2
67.05492	0.3
69.03420	14.9
70.06578	0.4
71.32740	0.2
71.43530	0.2
73.02910	0.3
74.49326	0.2
79.05494	0.3
81.03415	0.3
81.07042	0.2
83.04941	0.2
85.02908	0.5
86.09715	0.2
87.82162	0.2
89.86709	0.2
91.05471	0.2
95.08572	0.3
97.02880	100.0
98.03210	1.0
107.08570	0.3
109.02864	0.3
115.03924	0.5
119.08585	0.2
121.02843	0.5
121.10169	0.3
127.03947	0.2
135.11711	0.2
139.03880	30.5
145.02818	0.3
157.04941	13.7
166.05008	0.6
167.07071	0.4
177.05424	0.4
181.05013	0.3
184.07251	0.3
199.04353	0.2
199.05983	4.5
231.90984	0.2
259.08109	1.2
287.05441	4.3
288.05627	0.2
299.05737	0.4
306.13608	0.2
325.11230	0.2
337.06747	0.2
352.04407	0.4
365.06540	0.9
383.07440	0.3
545.12329	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	14.4
70.03741	0.1
70.06583	1.6
71.06877	0.1
73.02898	0.2
81.03425	0.1
85.02904	0.2
93.07026	0.1
95.04969	0.1
97.02879	100.0
98.03197	1.0
105.07013	0.1
109.02869	0.1
112.07574	1.0
113.07931	0.2
115.03947	0.5
121.02851	0.3
127.03916	0.2
137.05951	0.2
139.03880	32.4
140.04185	0.4
140.07053	0.4
141.07364	0.1
147.04391	0.1
157.04942	14.2
158.05319	0.1
165.01808	0.1
167.07059	0.3
177.05458	0.2
181.04898	0.2
199.05988	5.7
218.83665	0.1
241.04974	0.1
259.08102	1.6
287.05466	8.4
288.05731	0.2
299.05573	0.2
365.06534	0.4
449.10834	1.1
485.10535	0.2
545.12360	0.4
644.65442	0.1
650.61127	0.1
764.50568	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	839.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70919	0.8
67.05496	1.1
67.06921	0.7
69.03416	2.8
70.06592	1.6
78.40072	0.8
79.05482	1.3
80.05012	1.0
81.03398	1.6
81.30292	0.8
85.02894	3.9
89.03940	1.0
91.05492	1.6
93.07063	1.7
94.06580	4.6
95.07343	1.1
96.08147	5.9
97.02885	1.9
106.06566	1.4
107.07356	0.8
108.04479	2.4
108.08108	10.2
109.02891	1.1
110.09679	7.2
112.07540	1.8
116.04927	3.5
118.06561	1.8
120.04480	1.9
120.08115	7.2
121.02862	1.4
122.06018	6.5
122.09624	1.6
124.07585	6.2
131.06378	0.7
134.06044	2.5
136.07574	10.8
138.09135	9.5
144.04402	5.2
146.05977	5.9
148.07553	4.2
150.09114	1.2
152.07074	1.8
160.03954	3.7
162.05499	3.8
164.07132	1.7
165.14308	0.7
166.08626	17.2
172.03920	26.2
174.05493	2.4
176.07042	3.7
177.05426	0.8
190.04961	22.4
197.10675	1.1
198.09296	1.2
204.06538	50.0
205.06947	1.8
209.10501	0.9
211.08748	1.2
212.09483	1.0
213.10173	3.8
215.11826	2.1
219.62547	1.0
224.09471	1.3
225.10254	2.0
226.08658	1.3
227.11746	2.2
236.09563	2.2
237.10265	2.2
238.10992	1.5
239.11784	1.4
241.09737	2.3
243.11261	11.8
245.12968	1.0
249.10185	1.7
251.08157	1.0
251.11787	2.4
252.08954	1.4
253.09674	2.0
253.13330	1.1
255.11336	2.6
257.12827	1.7
259.10934	1.1
263.08151	1.3
264.08954	2.9
265.09772	1.8
266.10565	1.0
267.11270	1.5
269.09180	4.2
269.12350	0.8
271.10803	2.7
273.12311	4.7
274.13293	1.1
277.09805	1.8
278.10547	1.6
279.00473	0.7
279.11252	5.1
280.11993	1.1
281.09372	1.6
281.12704	1.6
283.10721	4.5
285.12308	19.5
287.10226	7.9
294.10034	1.2
295.10654	1.2
297.12335	8.3
298.12936	0.8
299.10559	1.6
299.14044	3.5
301.11890	2.8
302.12582	2.1
303.13385	24.7
304.14233	1.2
307.10770	3.2
309.12283	1.9
313.12054	2.2
314.09641	0.8
314.16656	1.2
316.10886	1.5
316.14502	1.6
323.10153	5.6
325.11765	23.5
325.15616	1.4
327.13443	2.6
329.11484	1.0
330.12402	3.1
332.14337	1.2
334.09430	0.9
339.13754	1.2
340.14526	0.9
342.12170	1.1
342.71451	0.8
343.12885	3.8
344.14005	2.6
345.14487	1.1
346.15610	2.6
347.16425	1.0
355.13312	1.0
356.14438	0.8
357.14383	21.7
358.15503	5.2
359.16141	1.1
367.12952	1.0
368.13928	1.2
370.11908	2.0
371.12744	2.5
372.13165	4.0
373.14233	1.3
374.14896	2.9
383.12546	0.8
385.14313	2.5
386.14960	8.9
387.15863	4.9
388.16626	1.4
394.17355	1.5
401.13666	1.2
402.14276	1.8
402.18658	1.2
403.15512	1.7
404.15936	4.4
406.17664	4.0
410.15210	1.0
412.16714	1.1
413.14719	1.1
414.14450	11.5
415.15189	23.8
416.15988	2.9
418.17764	1.9
420.15369	4.6
428.15933	1.8
430.17679	3.6
432.15485	13.6
433.16354	1.0
434.17310	0.9
438.15686	1.7
444.15613	3.0
446.17175	3.6
447.17776	1.2
456.15497	6.7
462.16602	7.3
474.16507	23.7
475.16998	0.9
487.17099	9.0
488.17987	1.1
494.19373	2.3
506.19159	10.4
519.19769	2.4
557.23706	1.5
567.22089	1.2
581.72333	0.8
583.25690	1.7
585.23364	3.3
599.25128	1.6
609.23169	4.2
627.24377	100.0
628.24628	8.3
659.27008	25.4
660.27173	1.7
753.27722	1.2
761.30402	0.9
789.29626	19.7
790.29645	1.2
791.65979	1.0
821.32440	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	839.333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02883	0.7
66.38306	0.8
69.03426	1.5
70.06578	1.8
79.05481	1.4
80.05020	1.6
81.03387	1.2
82.06549	1.0
85.02908	3.1
89.03892	1.2
91.05458	0.8
93.07040	1.7
94.06543	4.7
95.04971	0.9
95.07346	1.7
96.08116	5.4
97.02883	1.6
98.23468	2.3
98.64418	0.8
98.84854	0.8
106.06548	1.6
107.07337	1.0
108.04483	1.7
108.08096	9.8
110.09660	5.6
116.04961	2.5
120.04478	2.8
120.08100	5.7
122.05998	5.8
124.07581	5.9
129.35614	0.7
134.06000	1.9
136.07562	8.5
138.05504	0.9
138.09114	8.6
144.04427	5.5
146.05995	5.6
148.07564	4.7
150.09206	1.3
152.07072	2.7
160.03951	2.7
160.07539	1.4
162.05551	3.0
164.07053	1.3
166.08612	12.9
172.03905	25.0
173.04366	1.1
174.05545	2.1
176.07053	4.5
185.10733	1.2
187.08327	0.6
187.12271	0.8
188.06905	1.0
188.61177	0.6
190.04956	16.1
197.07047	0.7
197.10701	1.0
198.07675	1.1
198.09364	0.8
199.08682	1.5
201.10219	1.2
204.06529	40.5
205.06906	1.4
211.08670	1.5
212.09375	1.4
213.10278	3.0
215.11826	2.0
224.09431	1.9
225.10251	2.5
226.11067	0.8
227.11861	1.7
229.13182	1.1
236.09464	1.5
237.10199	1.6
238.10965	2.0
239.11935	1.1
241.09795	3.4
243.11234	10.3
245.12801	1.0
249.10353	1.2
250.11018	1.0
250.33023	0.7
251.11818	2.7
252.08760	0.9
253.09714	1.7
254.10623	0.8
255.11314	2.0
256.12140	1.2
257.12851	1.3
264.09018	2.4
265.09717	2.3
266.10464	1.1
267.11429	1.2
269.09238	2.7
270.09805	0.8
271.10779	2.8
273.12305	4.5
274.13046	0.8
277.09741	2.1
278.10480	0.9
279.11234	3.9
281.09286	1.5
281.12790	1.0
283.10849	3.7
284.11526	0.8
285.12314	12.9
287.10159	6.0
293.09277	1.3
295.10815	1.0
297.12247	7.9
299.14050	2.3
301.11862	1.9
302.12720	1.3
303.13370	21.0
304.14194	1.0
307.10788	2.2
309.12299	1.6
311.10324	1.4
313.11932	0.8
314.16632	1.1
315.13913	1.0
316.10916	1.4
316.14435	1.7
318.16086	0.8
323.10202	4.8
325.11758	18.6
325.15558	1.0
326.12769	1.4
327.13501	2.1
328.14517	0.9
329.11502	1.6
329.15125	1.4
330.12399	3.5
330.16061	1.0
331.13184	1.1
339.13611	0.9
342.12405	1.2
342.16092	1.1
343.12915	4.1
344.13947	3.0
345.14584	1.4
346.15524	2.3
348.16785	0.8
355.12616	0.7
356.13998	1.3
357.14429	19.4
358.11960	1.3
358.15417	5.7
368.14148	0.8
370.12051	1.5
371.12671	3.1
372.13309	3.5
373.14127	1.0
374.14981	2.4
376.16501	1.7
384.13190	0.9
385.14398	2.6
386.14914	9.4
387.15744	4.7
388.12540	1.1
392.16095	0.9
394.17270	0.9
400.16846	1.1
402.13846	1.4
402.18549	1.4
403.15128	1.3
404.16013	4.3
406.17517	2.2
410.14670	0.9
413.14920	0.8
414.14371	8.7
415.15219	19.8
416.15784	2.5
418.17566	2.6
420.15643	2.7
428.16177	1.9
430.17795	2.6
432.15555	12.6
432.21210	0.6
438.15482	1.0
444.15442	2.8
446.17197	3.5
456.15512	6.4
457.15891	0.8
462.16565	5.5
474.09628	1.5
474.16467	23.2
475.17389	1.1
476.17761	1.0
487.17078	9.3
488.17709	1.0
494.19119	2.7
506.19135	10.2
507.19589	1.1
519.19586	1.1
539.23083	1.0
583.25739	1.0
585.23157	2.5
599.24854	1.8
609.23389	4.8
627.24359	100.0
628.24622	6.9
659.26910	23.9
660.27197	2.1
789.29669	20.5
790.30225	1.6
821.31744	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.4
65.81504	1.2
67.05152	2.5
67.05497	32.7
67.05858	2.1
68.05865	1.4
69.03417	4.6
69.07059	14.9
69.14516	7.5
71.04981	4.4
71.73875	1.2
74.44509	1.2
79.05482	32.0
81.03410	76.6
81.07048	53.8
83.04965	5.8
83.08615	17.4
85.02882	1.6
85.06569	1.5
91.05467	35.3
91.06048	1.8
93.07034	27.8
95.04960	32.1
95.08607	15.5
97.02885	3.8
97.06516	3.9
97.10162	8.8
99.04450	1.2
103.05410	1.7
105.03374	3.5
105.04501	1.2
105.07020	30.6
107.04943	14.9
107.08578	14.4
109.06498	10.2
109.10142	8.7
111.04430	5.0
111.08068	7.2
115.05444	4.6
117.07014	11.8
119.04882	1.3
119.08564	31.2
119.92062	1.3
120.78497	1.3
121.06516	8.9
121.10123	12.6
123.08051	13.0
125.09618	5.3
128.06171	2.7
129.06985	15.5
129.07860	2.0
130.07738	2.1
131.08557	18.8
133.00522	2.1
133.06488	6.4
133.10115	11.8
135.08026	5.9
135.11661	4.8
137.09599	4.6
141.06961	2.2
142.07764	2.4
143.08533	5.8
145.06467	4.0
145.10114	13.7
147.08005	10.0
147.11662	9.8
149.09602	12.1
153.09062	2.0
155.08603	1.9
157.10103	13.6
158.80728	1.3
159.08040	3.0
159.11691	4.6
161.09605	6.4
163.11124	6.9
165.12750	2.0
167.08496	1.6
169.10097	2.9
171.10234	1.8
171.11629	4.2
173.09679	3.3
175.11162	10.3
181.10114	1.8
185.13272	3.0
187.11166	2.0
189.11143	2.0
189.12772	3.3
193.12198	15.6
195.11696	2.1
197.07242	1.8
199.10980	1.4
205.12186	2.1
211.13210	1.8
223.13335	1.5
227.12880	1.7
227.18004	2.4
245.18944	1.4
249.14861	3.0
255.17427	3.9
267.15872	100.0
268.16269	2.4
273.18433	18.6
283.12335	1.5
291.19528	30.2
309.16119	3.9
327.17026	2.2
329.20999	1.4
341.21033	2.6
347.22089	5.7
379.22681	1.4
383.19849	8.6
401.20813	37.1
405.95154	1.4
415.24582	3.4
419.29361	1.9
433.25809	32.6
447.28717	5.0
465.29871	5.9
481.30981	1.3
483.31158	3.3
521.32764	3.1
539.33539	16.8
540.33307	1.7
557.34729	31.6
558.35303	2.4
569.98291	1.4
575.31238	32.5
593.32288	62.1
594.32562	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	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13057	1.5
65.03922	3.9
67.05495	69.9
68.68215	1.4
69.03411	5.7
69.07057	21.5
71.04970	5.6
75.17352	1.3
79.05483	68.4
81.03407	9.1
81.07046	100.0
83.04976	15.5
83.08608	18.7
85.02898	4.4
85.06517	2.6
91.04935	2.8
91.05470	39.7
93.07030	64.7
95.04958	22.8
95.08012	2.6
95.08591	40.6
97.02842	1.7
97.06509	10.5
97.10150	24.6
99.04413	1.7
99.08077	3.5
103.05422	1.9
105.04510	3.1
105.06344	2.2
105.07014	31.1
107.04964	10.0
107.08574	39.0
109.06508	10.7
109.10133	20.2
111.04419	13.6
111.08067	9.3
113.06004	1.8
115.05457	3.5
117.07005	13.9
119.08570	31.2
121.06504	7.6
121.10119	28.6
123.04361	2.0
123.08035	27.5
123.11694	3.4
125.09600	23.2
128.06247	1.3
129.06976	7.9
131.08546	17.9
133.06445	3.2
133.10101	16.2
135.08052	7.9
135.11668	14.7
137.09601	5.5
139.11171	2.5
141.06985	1.9
142.07724	2.1
143.08574	6.6
145.10101	20.0
147.07980	9.4
147.11627	10.1
149.09590	9.9
149.13225	5.5
151.11172	2.1
153.09079	6.0
153.12714	4.8
155.08530	1.5
157.10126	5.6
159.08081	1.8
159.11629	9.9
161.09554	8.3
161.13254	4.5
163.11147	19.2
165.09097	4.2
169.10112	3.2
171.10170	2.1
171.11650	5.2
173.09605	4.2
173.13234	3.4
175.11163	4.6
177.12689	3.2
181.12149	8.9
185.13190	2.7
187.14740	2.0
189.11179	18.0
189.12605	2.1
191.10643	6.1
193.12204	5.3
199.14894	1.6
203.14337	1.7
211.13211	1.7
223.13298	4.1
227.12759	15.8
227.17856	2.0
243.20949	1.8
245.19070	3.7
249.14804	2.3
255.17477	2.9
259.20380	1.7
261.22147	5.0
273.18457	27.9
275.20078	3.7
283.15393	3.1
290.23410	1.5
291.19507	69.5
292.19730	3.8
309.20505	12.9
335.25763	65.4
336.26245	2.3
347.22086	5.3
349.56296	1.5
351.12897	1.6
365.23145	27.5
383.24213	19.4
449.24271	1.4
515.36932	1.5
568.36127	1.6
576.92175	1.5
588.13635	1.5
607.43585	2.1
625.44434	31.2
626.44751	1.6
643.45575	30.9
644.46063	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	840.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.0
67.05495	52.4
69.03417	4.2
69.07055	16.7
71.04990	2.8
78.93899	1.0
79.05482	45.2
79.05945	2.4
80.97943	1.1
81.03410	4.7
81.07046	77.6
83.04967	8.2
83.08599	14.1
85.02908	3.3
85.06542	2.8
91.05466	26.6
93.06435	2.2
93.07030	44.2
95.04946	13.4
95.08590	35.9
97.02904	1.9
97.06504	5.7
97.10151	15.0
99.04478	1.3
99.08080	2.5
102.18184	1.0
105.07011	22.2
107.04935	6.7
107.08575	23.5
109.06509	8.7
109.10145	15.2
111.04417	6.9
111.08089	4.9
117.07013	10.8
119.04976	1.1
119.08569	20.3
121.06493	4.8
121.10111	17.4
123.04379	1.1
123.08051	18.5
123.11708	4.1
125.09619	14.8
129.05472	1.2
129.07018	3.6
131.08543	12.9
132.08791	1.1
133.06450	2.0
133.10095	12.7
135.08031	3.8
135.11673	12.3
135.35800	1.1
137.09589	3.4
139.11133	2.4
143.08536	4.9
145.06392	1.3
145.10086	13.5
147.08057	5.9
147.11642	7.6
149.09589	4.5
149.13283	4.7
153.09087	3.2
153.12766	3.2
157.10120	3.7
159.11710	6.5
161.09605	5.0
161.13293	3.2
163.11186	11.4
163.14807	2.3
165.09100	4.0
171.10262	1.6
171.11714	4.9
173.09581	2.0
173.11812	1.4
173.13271	3.5
175.11157	2.7
175.14891	1.5
177.12698	2.5
181.12234	4.9
185.09550	1.1
185.13226	2.6
187.14766	1.5
189.11203	14.0
191.10674	4.5
193.12167	3.7
199.14835	1.2
205.12163	1.3
209.11604	1.4
223.13240	3.9
227.12755	12.2
227.17891	2.5
243.21132	2.1
245.18977	3.6
249.14862	1.6
255.17456	1.7
259.20667	2.1
261.21994	8.1
263.19858	1.6
273.18439	24.7
274.18924	1.2
275.20016	3.6
283.15356	3.1
291.19513	52.7
292.19852	1.6
293.21027	1.5
309.20532	6.9
317.24765	1.4
333.24142	1.4
335.25754	100.0
336.26099	3.2
347.22015	7.1
349.23627	1.3
365.23209	31.0
366.23471	1.5
383.24200	17.8
388.56577	1.2
399.73199	1.2
505.34711	2.4
553.57813	1.3
607.43115	4.1
625.44550	37.3
626.44751	3.0
643.45502	35.2
644.45844	2.9
688.35608	1.2
871.27838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.9
64.59782	2.1
65.03932	5.6
67.05495	80.1
69.03426	8.7
69.07057	34.1
70.38252	2.4
71.04984	6.4
77.03905	2.4
79.05481	76.0
81.03406	8.9
81.07047	100.0
83.04989	9.7
83.08609	20.3
85.02905	7.6
85.06537	4.3
91.05469	80.3
93.07035	70.0
95.04962	25.4
95.08593	56.1
96.25446	2.6
97.02868	5.6
97.06527	10.1
97.10151	9.1
98.23499	5.5
99.08087	5.6
102.56489	2.4
105.04510	3.3
105.07018	62.2
107.04930	9.1
107.08578	46.6
109.06508	14.0
109.10133	22.9
110.63250	2.1
111.08073	8.9
115.05435	4.8
117.07002	33.8
118.07364	2.7
119.08566	53.3
121.06509	6.2
121.10124	33.1
123.08057	7.8
123.11684	5.7
125.09623	4.5
128.06201	3.9
129.06990	20.3
130.07796	2.5
131.08542	38.0
133.06462	2.9
133.10103	39.2
133.56033	2.5
135.08066	6.7
135.11668	25.8
137.09575	4.9
141.06963	4.3
141.48389	2.2
142.07751	2.2
143.08546	18.5
145.10089	29.2
147.08034	4.1
147.11659	33.1
149.09587	11.1
149.13268	9.8
151.07550	3.5
151.11186	4.2
153.07018	2.6
155.08543	11.1
157.10075	21.1
159.07999	2.6
159.11687	23.6
161.09644	4.5
161.13242	17.4
163.11191	10.8
163.14850	4.7
165.12674	2.3
167.08574	3.3
169.10051	13.2
171.11682	16.3
173.09598	2.7
173.13252	12.6
175.14890	3.7
177.12669	6.8
179.08556	2.8
181.10129	5.5
183.11682	10.4
184.07379	6.4
185.13225	14.6
187.11192	3.9
187.14816	3.8
189.11119	3.3
195.11713	6.6
195.13765	4.2
197.13275	8.8
199.14810	8.7
203.14494	2.6
207.11755	3.7
209.13245	2.9
211.14883	4.4
213.16472	3.6
215.18013	3.0
223.14780	3.6
227.12688	2.8
231.21158	2.9
237.16451	4.8
239.17950	2.6
241.19553	13.3
253.14243	3.4
255.15932	10.4
257.18997	5.3
259.20535	29.3
261.22000	3.2
267.15836	5.6
269.17477	10.3
273.18353	4.3
275.19983	25.7
276.20340	6.9
277.21622	3.6
291.19431	7.6
307.22702	9.0
315.23291	4.1
320.65598	2.5
333.24158	40.2
334.24554	2.6
335.25742	6.8
345.24237	2.3
349.23666	15.2
350.23914	4.6
365.23383	2.8
367.25043	5.5
385.48193	2.5
435.32257	3.9
453.33820	3.2
509.36331	3.7
513.35443	14.1
515.37836	5.2
525.35724	2.8
527.37219	29.1
528.37982	2.9
545.38208	4.5
567.40698	2.7
597.42578	2.5
607.43427	19.8
625.44415	27.6
642.43665	3.1
643.44623	9.7
840.45551	4.1
841.46381	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	841.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.0
63.32988	0.1
67.01861	1.1
68.99805	0.2
69.03420	4.1
69.75603	0.5
70.06586	0.4
71.01334	0.2
71.04987	1.5
72.02190	0.1
73.02905	0.4
75.04464	0.2
80.23154	0.1
81.03405	8.2
83.01313	0.3
83.04954	1.0
85.02892	5.6
95.04956	0.3
97.02878	11.4
99.04438	3.0
99.74644	0.2
103.03905	0.2
109.02862	16.3
110.03179	0.2
111.00796	0.5
111.04414	0.6
112.07572	0.2
115.03898	1.3
121.02848	2.0
127.03896	14.0
129.05464	1.4
133.02876	0.4
137.02328	0.6
145.02835	0.4
145.04950	1.7
145.06148	0.2
147.04369	0.6
147.06435	0.4
153.01799	2.7
157.04962	2.1
157.06374	0.4
161.05989	0.2
165.01868	1.4
169.04922	1.0
171.04370	0.2
175.03812	0.2
177.05495	1.3
183.02829	0.6
185.06003	0.3
187.05988	6.6
205.07066	0.3
213.05426	0.9
229.07057	0.4
231.06477	0.6
237.07491	0.2
241.04970	0.9
247.08142	0.7
255.08412	0.2
258.05209	1.0
259.05899	0.5
263.99002	0.2
269.04260	0.3
287.05444	100.0
288.05792	2.6
353.06381	0.2
395.07584	0.3
433.11261	4.9
433.16977	0.2
437.08621	0.4
449.10672	0.2
533.12531	0.4
553.50336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.5
68.63036	0.2
69.03423	5.5
70.06570	0.9
71.01337	0.5
71.04984	4.0
71.44670	0.2
73.02913	0.5
73.32204	0.2
81.03405	19.3
83.01335	0.5
83.04984	0.6
85.02892	16.6
86.03186	0.2
97.02882	8.3
99.04443	14.7
103.03931	7.9
103.04611	0.5
109.02864	32.1
110.03175	0.4
111.04406	0.6
112.07576	0.9
115.03928	0.5
116.10751	0.2
119.04961	0.3
119.08629	0.3
121.02844	0.6
121.06483	0.2
123.03072	0.2
123.04479	0.2
127.03896	100.0
128.04239	0.8
129.05415	0.3
129.36143	0.2
137.05945	0.3
139.03899	1.0
140.07005	0.4
145.04929	6.5
147.04404	0.9
153.01785	0.8
165.01825	0.4
169.04941	9.9
175.07524	0.3
177.05507	0.8
181.04932	0.5
183.02936	0.3
187.05992	17.8
190.30344	0.2
205.07034	0.4
206.04529	0.4
211.05971	0.3
213.05403	0.5
229.07039	30.3
230.07320	0.5
235.09456	0.4
247.05470	0.4
247.08093	14.1
287.05453	29.2
288.05777	0.8
294.12445	0.3
329.06531	0.4
415.13672	0.3
433.11154	1.8
533.12360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.9
65.03934	3.1
67.05494	34.1
68.15285	1.1
69.03428	6.8
69.06699	1.9
69.07062	32.3
69.82220	1.2
71.04972	4.6
73.02895	2.1
73.06532	1.3
79.05482	49.0
81.03407	9.8
81.07044	100.0
83.04979	8.3
83.08607	16.1
85.02895	4.3
86.06056	1.1
86.09682	1.4
91.05467	39.2
93.07030	37.2
95.04962	21.0
95.08593	30.2
97.02872	5.1
97.06511	11.5
97.10143	8.6
99.04434	1.2
99.08087	2.3
103.05468	2.2
105.04513	2.6
105.07007	23.4
107.04935	16.4
107.08578	23.4
109.02869	3.4
109.06499	43.0
109.10137	13.6
111.04426	3.6
111.08066	7.8
113.05965	1.4
115.05418	2.5
117.07001	13.9
119.08562	24.2
119.09398	1.5
121.06487	11.1
121.10110	14.0
123.04398	2.6
123.08044	9.4
123.11694	1.6
125.09610	7.1
128.06189	2.5
129.06990	5.0
131.08536	16.4
133.06488	4.0
133.10109	15.5
135.08026	21.3
135.09032	1.6
135.11639	6.0
137.09608	16.0
139.07530	1.4
139.11160	2.9
141.06963	2.1
143.08525	3.9
145.06480	3.8
145.10095	10.8
147.07994	6.0
147.11647	4.7
149.09608	19.4
151.07512	5.1
151.11127	4.2
153.09079	4.2
153.12691	2.1
155.08533	2.7
157.10095	3.4
159.08018	5.5
159.11705	5.6
161.05965	1.2
161.09566	7.7
161.13245	1.5
163.07539	8.1
163.11145	12.4
165.09097	4.8
169.08713	1.2
169.10056	2.4
171.10135	1.5
171.11523	1.2
173.05920	2.9
173.09595	3.9
173.13203	2.6
175.11130	2.6
177.09091	3.0
177.16426	1.2
179.10640	3.9
183.07791	1.5
183.11591	1.5
184.07274	2.3
185.13245	1.5
187.11137	2.4
187.14825	1.7
189.09033	1.7
189.11169	4.4
191.10571	2.0
193.12230	13.7
199.14932	1.5
201.16356	5.5
205.12175	1.3
211.14862	1.2
219.17451	3.6
227.12758	4.3
229.15950	6.2
239.12746	1.5
243.17403	1.2
245.15457	1.7
247.16904	30.0
261.18469	2.9
265.17990	8.7
267.15857	1.9
271.16800	4.0
275.19937	1.6
283.15219	1.5
289.17938	20.7
291.19489	3.5
307.19058	4.7
321.20563	31.2
328.19153	2.2
339.21625	38.3
346.19955	1.9
353.19324	2.3
363.21625	8.2
365.23138	2.0
381.22653	60.9
382.22870	2.7
420.23773	1.3
491.29880	3.7
503.82114	1.1
513.31934	1.7
529.31262	1.7
531.32599	2.4
547.32214	1.4
553.34869	2.6
571.35773	1.9
591.36792	1.7
596.65887	1.3
609.37787	9.1
627.38837	53.9
628.38928	5.1
645.39838	69.0
646.39777	3.9
680.45233	2.2
734.97321	1.3
842.50861	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	842.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	1.6
62.20897	1.3
65.03931	5.6
65.36328	1.5
67.05495	62.1
67.05858	3.1
69.03422	8.0
69.07059	72.8
69.62457	4.8
71.04975	7.7
73.02901	1.8
77.03943	1.8
79.05483	98.9
80.05821	1.9
81.03400	19.5
81.07045	87.4
82.25574	1.4
83.04971	19.1
83.08607	72.5
85.02907	7.9
85.06552	2.4
91.03916	2.2
91.05466	89.3
93.07034	88.5
95.04955	63.6
95.08591	41.7
97.02880	5.8
97.06516	15.6
97.10152	19.5
99.04439	7.9
99.08068	5.1
103.05457	2.4
105.04512	4.3
105.07018	54.2
107.04939	32.7
107.08578	79.5
109.02867	5.9
109.06509	20.6
109.10136	21.0
111.04441	13.8
111.08064	15.5
115.05455	6.3
115.07508	1.9
117.07005	46.3
117.07791	3.2
119.04945	3.4
119.08565	56.7
121.06498	18.2
121.10127	38.2
123.04414	4.8
123.08051	16.4
123.11702	3.5
124.24094	1.7
125.05983	5.2
125.09619	21.2
128.06197	3.1
129.05467	3.0
129.06979	14.8
130.07724	2.6
131.08551	42.7
133.06464	13.6
133.10117	28.0
133.11018	2.8
135.04437	2.9
135.08041	46.3
135.11681	14.0
137.09595	20.1
139.07578	2.0
139.11143	7.1
141.06990	6.5
141.09082	1.6
142.07681	2.7
143.07051	6.4
143.08524	11.5
145.06464	9.8
145.10106	38.3
147.08043	14.1
147.11674	11.3
149.09599	54.4
149.13200	2.1
151.07545	5.6
151.11198	4.4
153.07025	1.4
153.09087	6.8
153.12744	2.0
155.08481	7.4
157.10115	9.1
159.08101	10.0
159.11652	17.2
161.08342	1.7
161.09550	9.3
161.13185	7.4
163.07509	11.8
163.11154	31.6
164.92165	1.4
165.09097	11.3
165.12704	3.5
167.10641	2.7
169.08708	2.9
169.10132	9.2
171.08032	2.0
171.10191	4.1
171.11681	5.6
173.09616	7.9
173.13202	11.3
175.07570	2.0
175.11163	3.2
175.14821	3.3
177.09059	9.7
177.12737	3.7
179.10635	3.7
181.08569	4.6
181.12253	2.3
182.10979	2.5
183.11697	3.7
185.09789	1.6
185.11682	1.6
185.13203	3.6
187.11140	4.2
187.14796	8.5
189.09286	3.4
189.11194	12.8
189.12666	2.6
189.16367	2.0
191.10698	5.0
191.14246	2.6
193.12193	14.1
195.11732	2.1
197.13251	3.1
199.09613	5.1
199.11278	2.1
199.14905	3.1
201.12776	2.9
201.16331	13.4
203.14308	2.5
205.12245	4.3
205.15822	2.0
211.13229	2.8
211.14967	2.2
215.14259	13.4
217.15825	3.9
219.13940	1.7
219.17424	33.8
219.19463	2.5
223.13313	23.7
225.11154	2.5
227.12645	7.7
229.15970	10.1
229.19292	2.3
233.15382	3.1
239.17947	2.1
241.14523	1.7
243.13759	4.6
245.15421	5.9
247.16907	41.4
248.17346	2.2
255.12195	4.3
257.18820	7.2
261.14859	11.4
261.18530	2.8
263.16403	2.7
265.17926	17.9
267.15918	3.0
268.94070	1.5
271.16934	3.8
273.18451	6.0
275.20032	40.3
276.20453	2.6
279.15820	2.4
283.15405	3.8
289.17917	15.7
291.19376	8.5
293.21054	24.4
301.16547	1.8
307.19208	3.7
321.20575	20.6
335.18451	4.6
337.20013	7.9
339.21613	29.9
347.21973	3.0
349.23657	20.4
349.27881	2.4
350.23825	1.7
353.19504	78.7
354.19885	3.4
363.21555	5.8
365.23181	6.4
367.20471	2.9
367.24753	32.5
367.29425	1.8
381.22665	53.6
382.23178	1.7
529.31311	3.4
547.32391	5.5
609.37878	14.5
627.38800	51.7
628.39319	3.0
645.39893	100.0
646.40027	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	842.5607
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.7
67.05497	89.6
69.03426	3.7
69.06709	1.8
69.07059	24.5
71.04980	4.8
71.08636	1.7
79.05480	56.5
81.03401	4.9
81.07047	76.5
83.04964	3.1
83.08613	13.7
85.02885	2.9
85.06535	3.0
86.09690	6.3
86.34013	1.4
91.05469	40.5
91.80826	1.5
92.05788	1.6
93.07028	58.5
95.04966	11.4
95.08591	46.9
96.08916	2.2
97.02876	2.9
97.06530	7.6
97.10151	5.6
99.04430	1.4
99.08086	2.4
103.05412	2.1
105.04498	3.3
105.07024	30.4
107.04937	6.2
107.08578	34.5
107.09249	3.0
109.06496	8.6
109.10138	38.3
111.08058	2.9
115.05401	2.0
117.07008	12.7
119.08560	26.8
121.06495	2.2
121.10125	24.1
123.08093	3.9
123.11691	5.8
125.00006	3.3
125.09613	6.0
127.03914	1.7
129.06964	3.0
131.08553	18.4
133.10117	18.9
135.07976	2.8
135.11682	16.4
137.09587	3.8
137.13254	1.8
143.08490	4.8
145.10085	12.8
147.11691	11.8
149.09584	6.0
149.13223	8.6
151.11183	2.2
157.10110	4.0
159.11665	10.8
161.13246	5.5
163.11136	2.9
163.14832	2.8
169.10187	2.2
171.11697	2.7
173.11708	7.7
173.13258	7.8
175.14870	1.5
177.12761	1.8
179.14279	1.8
183.11626	2.2
184.07344	19.1
185.13199	3.1
187.14767	3.6
189.11143	1.8
195.13887	1.6
197.13335	1.8
199.14903	2.7
203.14308	1.6
205.15746	2.3
211.14934	1.8
219.17337	2.9
227.12718	6.6
229.14308	27.5
241.19522	1.6
243.21046	3.5
245.13593	1.6
257.18961	5.0
259.20660	2.2
261.22061	12.1
269.17435	12.5
271.06427	1.4
275.20010	23.8
293.21103	3.6
307.22638	3.2
309.20511	8.0
317.24805	3.3
333.24136	2.5
335.25760	100.0
336.26175	2.9
349.23615	16.8
351.25348	2.2
367.24695	12.9
489.35721	15.1
507.36328	2.3
529.38843	28.2
569.41956	30.4
570.42578	2.0
609.45062	25.0
627.46210	15.8
842.46539	8.1
843.48230	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	843.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38449	0.3
65.24193	0.3
67.01868	0.3
67.05480	0.8
68.99783	0.4
69.03422	10.2
69.03796	0.6
69.07071	0.6
71.04982	0.6
73.02888	0.8
77.03887	0.3
79.05476	0.6
81.02956	0.5
81.03411	7.2
81.07050	0.5
85.02892	3.4
87.04457	0.9
91.05486	0.4
93.07009	0.5
95.04966	2.0
95.08597	0.9
97.02871	5.4
97.06506	0.4
98.03238	0.3
99.04437	1.2
103.03905	0.3
105.03380	22.5
105.04514	0.8
109.02861	5.8
109.10122	0.4
115.03901	0.3
117.18908	0.3
119.08595	0.3
121.02846	5.0
121.10094	0.4
123.04411	0.4
127.03901	6.6
131.04939	0.3
133.10107	0.3
137.02339	1.0
137.05977	0.5
145.02925	0.5
145.04948	1.7
145.06473	0.5
145.10194	0.4
147.04401	1.0
153.01804	1.8
157.04973	0.3
161.05952	0.4
165.01857	1.1
167.75352	0.3
177.05463	1.1
183.02859	0.7
185.06174	0.3
187.05992	2.6
191.07021	5.3
195.06564	0.3
206.04410	0.4
213.05524	0.6
213.07507	4.7
231.06558	0.6
231.08647	1.2
241.04887	1.0
258.05267	0.8
287.05460	100.0
288.05777	2.7
299.05319	0.4
311.05334	0.8
319.08783	0.3
329.06476	2.4
353.06451	0.4
395.07785	0.6
639.16992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.3
61.02916	5.4
65.03922	0.9
67.05495	8.9
68.05829	0.7
69.03426	3.8
69.07057	6.6
69.67456	1.0
69.67818	2.1
70.07380	0.7
71.01347	0.8
71.04979	2.4
73.02905	4.2
79.05479	14.0
81.03403	6.9
81.07044	17.5
81.07497	1.2
83.04981	2.1
83.08611	4.1
85.02895	5.0
86.09685	0.9
91.03929	1.8
91.05463	11.6
92.05804	1.3
93.03423	0.8
93.07020	7.9
95.04959	6.1
95.08594	4.9
95.95650	0.6
96.05325	0.9
97.02869	5.2
97.06532	3.3
97.10166	2.2
99.04458	1.3
99.08094	0.7
101.02365	2.5
103.05493	0.7
105.07014	8.7
106.07336	0.9
107.04926	3.7
107.08561	6.4
108.08936	0.8
109.02869	2.0
109.06502	8.4
109.10160	2.2
110.06838	0.8
111.04446	1.2
111.08076	1.8
117.06985	3.6
119.08567	5.7
121.06481	2.2
121.10126	4.1
123.08058	2.7
125.09647	2.4
127.03882	1.4
129.05391	0.8
129.07016	2.0
131.08536	4.1
133.06496	1.5
133.10092	4.0
135.08057	6.0
137.09599	2.3
139.07549	1.0
141.07024	1.1
143.07164	0.8
143.08472	1.0
145.06543	1.2
145.10139	2.8
147.07999	1.7
147.11678	2.2
149.09570	5.0
151.07578	1.1
151.11253	0.8
157.10141	1.6
159.08070	0.9
159.11732	1.2
161.09644	1.1
163.07550	1.0
163.11208	2.4
169.10146	1.4
171.11784	1.0
175.11203	1.3
177.09149	0.8
184.07323	1.0
187.14644	0.7
191.10690	0.8
193.12274	2.2
223.13232	1.1
229.15955	1.6
241.14398	0.8
243.08379	4.7
247.17001	3.2
248.17216	1.0
261.18643	0.7
267.15845	1.6
275.20154	2.0
283.15271	2.4
289.18079	3.0
291.19534	0.9
321.20737	3.2
322.20755	1.1
339.18002	1.2
339.21802	1.8
350.24240	1.1
363.21741	1.0
372.03979	0.9
377.37146	0.9
381.22650	3.7
382.23068	2.1
468.55542	0.8
501.22903	10.5
501.29688	1.0
502.23349	0.8
534.68402	1.0
537.23175	1.1
547.25006	4.4
583.22864	2.8
609.38593	0.9
610.40106	0.8
627.39905	1.2
628.39447	2.8
645.39484	1.8
646.39636	3.4
807.43030	0.9
843.39252	100.0
844.39368	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	843.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63698	1.5
61.02913	6.5
67.05503	5.0
69.03429	3.5
69.07063	2.7
69.96510	2.5
70.06565	1.9
73.02917	4.8
79.05496	5.2
81.03422	2.7
81.07049	6.1
83.08630	2.1
85.02905	4.7
85.06578	1.3
91.03952	4.4
91.05494	3.3
93.07037	2.8
95.04936	1.3
95.08641	2.0
97.02898	5.8
97.10161	1.8
101.02380	2.9
105.07022	2.3
109.06558	1.5
109.10157	4.5
117.05515	1.4
117.07016	1.6
119.08600	1.9
121.10136	2.4
125.71480	1.5
127.03931	2.8
131.08580	3.4
149.09666	1.6
185.04250	5.0
201.03757	1.4
243.08461	3.9
265.14145	2.0
283.15106	12.0
301.08881	19.6
309.16818	2.0
315.10645	3.1
323.18240	3.0
339.17883	2.3
357.15421	1.6
373.10919	6.6
381.18695	8.1
385.18118	8.7
399.19818	2.5
413.17877	6.8
427.19339	8.7
429.17532	1.6
457.20520	1.5
465.27951	6.6
468.80518	1.3
469.20456	4.3
473.19980	1.7
483.22028	2.2
497.19852	1.5
499.21716	4.7
501.23157	25.2
511.28708	1.5
516.21722	2.6
517.22510	2.0
529.22534	18.6
529.30194	2.0
567.27997	2.6
573.25128	11.8
587.26691	3.5
601.28058	3.3
613.31848	4.4
615.29791	3.4
643.32806	4.0
658.32990	1.4
685.33923	5.1
739.38623	44.1
740.38855	4.3
825.41376	3.5
843.43390	100.0
844.44049	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	843.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.3
67.05493	7.0
69.03415	3.2
69.07048	1.5
69.50780	1.7
70.06577	0.9
71.04990	1.1
73.02898	2.1
79.05487	2.8
81.03407	2.5
81.07040	4.3
83.08617	1.0
85.02892	6.0
89.82825	0.7
91.03960	1.9
91.05476	2.2
93.07045	2.8
95.04967	1.7
95.08623	1.4
97.02876	4.5
97.06474	0.7
97.10169	0.8
98.22726	1.3
99.04462	0.9
101.02390	1.8
105.07047	1.2
107.08586	1.4
109.06506	0.9
109.10124	8.2
111.04447	1.0
119.08605	2.6
121.10148	1.3
123.08098	1.1
125.09589	1.4
127.03948	1.7
131.00206	0.8
131.08495	0.7
151.68800	0.7
173.11729	2.4
178.61774	0.8
183.80299	0.7
185.04185	1.4
195.09909	1.0
229.14276	1.4
243.08353	4.0
291.19614	1.0
301.09048	1.8
315.10712	0.9
328.23227	0.8
333.64957	0.7
349.19772	1.8
413.17715	12.6
485.19424	1.3
501.23187	1.7
567.27734	8.0
600.47729	0.8
725.35309	1.2
739.38580	100.0
740.38672	6.6
753.34564	1.8
797.42731	1.4
825.39398	1.3
843.43982	18.8
844.42944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.4
65.81115	0.7
67.05500	6.0
69.03428	2.3
69.07066	3.2
71.04973	0.9
73.02915	3.5
77.01805	0.7
79.05498	7.0
80.15127	0.6
81.03424	1.8
81.07043	10.0
83.04979	1.8
83.08599	1.5
85.02892	3.5
91.03965	1.3
91.05490	5.9
93.07028	4.5
95.04987	2.6
95.08620	3.5
97.02883	4.2
97.06529	1.7
101.02372	1.3
105.07000	4.3
107.04954	1.4
107.08602	3.8
109.06508	3.7
109.10175	1.6
111.04440	0.8
117.07036	0.8
119.08597	4.6
121.06523	1.3
121.10164	2.7
123.08076	1.3
123.11733	1.4
127.03882	0.9
131.08585	2.3
133.10133	1.9
137.07152	0.7
137.09680	0.8
139.52972	0.7
145.10141	3.1
147.08131	0.9
147.11731	1.3
149.09622	1.7
159.11694	1.9
163.11191	1.9
184.07291	0.8
185.04309	0.9
203.05267	0.8
243.08307	4.5
275.20157	2.9
276.20508	0.9
315.19351	2.0
333.20398	2.1
349.23572	0.9
433.33405	0.7
533.27161	8.3
551.28247	5.9
596.39081	0.7
635.59656	0.9
646.43542	1.1
665.00751	0.8
843.48480	100.0
844.48950	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	843.486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68489	0.5
61.02919	3.3
65.03935	0.8
67.05502	6.2
69.03422	2.9
69.07050	2.5
71.05009	0.5
73.02923	3.0
79.05482	6.7
81.03411	2.4
81.07046	7.4
83.04970	1.6
83.08617	3.1
85.02908	3.5
85.06564	0.5
91.03962	2.1
91.05467	6.4
92.84356	0.5
93.07034	7.6
93.07597	0.7
94.07372	0.6
95.04966	4.3
95.08578	3.2
97.02884	2.4
97.06551	0.8
97.10181	1.3
98.23466	1.4
99.04477	1.5
101.02343	0.8
105.07019	4.8
106.48484	0.5
107.04945	2.4
107.08579	4.2
109.06536	2.1
109.10136	2.3
111.04463	1.9
111.08091	1.0
117.07005	2.7
119.08556	3.1
121.06510	1.6
121.10136	3.0
123.08097	1.3
123.11639	0.5
125.09613	0.7
127.03934	1.2
129.05463	0.7
129.07007	1.1
131.08572	3.3
133.06459	0.8
133.10121	2.8
135.08067	2.1
135.11682	1.6
145.10110	2.9
147.11723	1.4
149.09589	2.7
149.13232	0.7
155.08557	0.6
157.10159	0.5
159.11728	1.6
161.09598	0.7
161.13263	0.6
163.11235	1.8
184.07323	1.0
185.04233	0.5
197.09445	0.5
229.16002	0.9
243.08392	3.7
247.17000	1.4
248.17618	0.7
273.01328	0.6
275.20096	2.2
276.20306	0.6
315.19348	0.8
319.22443	0.7
321.20749	1.7
322.21115	0.8
331.18872	2.0
333.20377	1.3
349.23944	1.1
354.23727	0.7
367.24951	0.9
371.21924	0.7
387.21597	0.9
533.27155	5.5
535.28845	2.5
549.26740	2.0
551.28302	2.3
596.40076	0.8
614.41077	0.7
646.43542	1.0
843.48517	100.0
844.48804	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	844.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
62.34178	1.4
65.03939	3.3
67.05496	40.9
69.03421	3.8
69.06703	2.2
69.07063	33.5
69.62900	2.5
69.63276	2.4
71.04969	4.1
73.02905	1.6
73.06544	1.2
76.48896	1.1
79.05486	57.5
81.03410	11.6
81.07047	100.0
82.07379	1.4
83.04978	11.6
83.08603	21.2
85.02885	4.7
85.06531	3.8
91.05470	44.9
91.06047	2.2
93.07034	45.4
95.04960	22.3
95.08593	31.5
95.09196	1.8
97.02870	3.3
97.06520	14.5
97.10145	7.8
99.04448	1.7
99.08077	3.6
103.05476	1.4
105.04498	2.4
105.07020	34.4
107.04940	19.2
107.08577	32.5
109.06499	26.2
109.10138	12.4
111.04438	7.6
111.08054	8.9
113.09604	1.3
115.05424	2.8
117.07008	18.1
119.04900	2.1
119.08563	38.1
120.08911	1.5
121.06499	13.2
121.10133	17.6
123.08050	19.5
123.11685	4.6
125.05965	5.0
125.09621	18.3
128.06204	1.8
128.90298	1.4
129.05533	1.8
129.06999	8.3
131.08556	23.2
133.06438	6.8
133.10130	18.4
135.08037	22.7
135.11659	7.8
137.09593	13.7
139.11179	2.1
141.06972	3.9
143.07047	10.2
143.08528	8.6
145.06378	3.2
145.10095	21.6
147.08026	13.7
147.11652	11.7
149.09602	29.1
149.13249	3.7
151.07487	2.6
151.11147	4.8
153.09071	10.6
153.12755	3.4
155.08528	2.8
157.10138	7.4
159.08047	4.2
159.11658	10.2
161.08246	1.8
161.09605	10.8
161.13228	1.8
163.07518	4.5
163.11151	18.7
163.14888	1.4
165.09097	9.4
165.12743	3.4
167.10718	1.5
169.08664	1.9
169.10153	3.9
171.10236	1.3
171.11688	3.9
173.09628	2.9
173.11879	1.4
173.13258	5.1
175.11172	3.9
175.14838	1.2
177.09113	3.3
177.12683	1.4
181.08582	3.0
181.12199	3.8
183.11739	1.2
185.09637	2.5
185.11607	2.5
185.13179	2.6
187.11166	4.9
187.14751	2.1
189.11195	6.6
189.16374	1.5
191.10655	2.3
193.12253	2.1
199.09625	2.6
199.14793	7.5
201.12752	1.4
201.16403	5.4
203.14203	2.6
211.14795	4.1
217.15834	10.1
219.13814	1.6
219.17448	4.1
223.13249	2.0
227.12735	5.2
227.14548	2.0
228.23224	4.1
229.15936	9.9
245.13191	2.0
245.15404	27.4
247.16904	22.7
247.20631	2.4
249.14766	1.4
257.18777	1.9
261.04465	1.4
263.16406	16.5
265.17972	3.1
269.17545	1.4
273.18503	15.5
275.20068	25.5
281.17307	2.4
283.15341	2.1
285.37357	1.2
291.19525	21.3
293.21060	3.6
309.20517	3.7
319.19052	8.4
321.20605	20.8
321.24292	1.6
337.20026	21.1
339.21637	19.9
347.22205	7.6
349.23642	19.1
355.21112	18.0
365.23184	21.1
367.24771	19.6
383.24094	9.0
491.29947	2.6
501.32581	2.0
515.33466	1.6
529.31110	1.8
531.32684	1.6
575.37598	1.5
593.38300	8.5
594.37964	1.5
611.39337	33.2
612.39246	1.8
629.40356	37.1
630.40521	2.2
647.41443	21.7
648.05988	1.4
652.83350	1.4
844.35913	1.8
845.40552	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	844.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15134	2.5
63.87572	3.2
65.03939	2.5
66.85600	2.2
67.05495	57.2
67.05858	2.8
69.03416	8.1
69.07065	50.7
69.96893	6.7
71.04987	7.9
79.05484	81.7
81.03400	16.3
81.07045	100.0
83.04971	21.7
83.08610	89.3
85.02919	9.0
91.05464	72.9
93.07030	93.6
94.07441	2.5
95.04956	46.3
95.08590	38.0
97.02911	2.6
97.06519	11.1
97.10145	27.7
99.04438	11.2
99.08089	4.3
105.04533	4.4
105.07012	45.8
107.04940	30.1
107.08579	79.3
109.06496	23.9
109.10154	18.3
111.04429	20.8
111.08073	23.9
113.05953	2.2
115.05452	4.1
116.06171	2.3
117.07005	43.0
119.08559	52.7
120.90040	2.4
121.06483	18.7
121.10129	36.0
123.08068	24.6
123.11718	6.2
125.05959	4.9
125.09625	26.7
128.06168	2.4
129.07031	11.7
131.08542	39.3
131.09439	3.1
133.06491	9.7
133.10098	27.4
135.08041	31.0
135.11659	12.8
137.09592	20.1
139.11191	8.5
141.06978	3.7
143.07114	2.8
143.08536	8.1
145.06459	2.4
145.10104	31.3
147.08005	15.0
147.11641	10.8
149.09598	51.4
149.13321	4.6
151.11192	5.3
153.09088	9.0
153.12743	9.5
155.08583	4.2
157.10101	5.1
159.08014	3.7
159.11696	12.5
161.09561	11.8
163.07587	3.1
163.11168	40.8
165.09126	9.4
167.10626	4.7
169.08591	4.7
169.10043	5.5
171.11700	4.6
173.09575	6.1
173.13246	7.1
175.11217	7.6
177.09090	10.3
177.12686	3.9
181.12222	8.0
183.11664	3.0
185.11772	4.4
185.13269	5.5
187.11153	5.5
187.14815	4.4
189.11230	15.7
189.12701	3.2
191.10724	7.5
193.12212	3.7
195.10153	3.0
201.16350	26.6
211.14810	5.3
213.16362	3.1
219.17395	56.9
223.13324	4.6
227.12697	20.7
229.15872	16.4
245.15456	3.5
245.18993	3.7
247.16891	65.8
255.17413	3.8
265.17899	26.4
273.18439	43.4
283.15460	2.6
291.19498	74.2
292.19904	2.7
309.20569	7.4
321.20547	40.2
339.21619	65.7
347.22137	22.7
349.23505	3.1
365.23199	55.8
383.24173	18.7
509.30673	3.4
593.38422	10.2
611.39264	44.2
629.40393	55.1
647.41528	20.5
740.36188	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	844.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.9
65.03937	2.8
65.26978	0.9
67.05495	40.5
69.03436	4.3
69.07058	26.0
70.06753	1.4
70.07069	1.3
71.04986	5.2
73.02917	0.9
79.05484	49.9
81.03408	10.2
81.07046	100.0
83.04968	8.8
83.08617	15.3
85.02898	2.8
85.06521	2.7
91.05466	32.1
93.07034	40.0
94.68498	0.8
95.04958	19.2
95.05527	1.6
95.08593	29.9
96.05251	0.8
97.02877	3.9
97.06517	10.4
97.10157	14.4
97.42464	0.9
99.04444	2.4
99.08062	2.3
103.05476	1.3
105.03401	1.1
105.04501	1.8
105.07005	21.8
107.04935	15.3
107.08581	21.9
109.06504	33.6
109.10132	14.8
111.04427	5.9
111.08069	7.9
113.06009	1.1
115.05437	2.0
117.06996	12.6
119.04961	1.7
119.08562	29.0
121.06492	8.5
121.10133	16.0
123.04443	1.8
123.08053	17.6
123.11689	1.7
125.05978	1.9
125.09621	12.1
128.06180	1.5
129.05492	1.1
129.06975	4.9
131.08548	19.1
133.06483	4.7
133.10117	11.1
135.08041	13.9
135.11676	7.3
137.09592	15.4
139.11165	3.4
141.07002	2.0
142.07668	1.0
143.07004	1.8
143.08533	5.0
145.06435	2.0
145.10104	14.1
147.08025	9.0
147.11639	4.8
149.09583	16.9
149.13245	2.3
151.07506	2.7
151.11153	2.5
153.09079	4.1
153.12726	3.4
154.07721	0.9
155.08545	2.4
157.10109	4.9
159.08040	3.1
159.11682	6.1
161.09567	8.7
161.13272	1.7
163.07506	2.0
163.11145	14.7
165.09114	6.2
165.12767	1.4
167.10696	1.9
169.10069	3.0
171.10262	1.3
171.11591	4.3
173.09607	3.4
173.13229	2.7
175.11107	4.8
177.09097	2.3
177.12788	2.0
179.10669	1.3
181.12225	3.4
183.10106	1.0
183.11635	1.7
185.13264	2.1
187.11143	2.2
187.14781	1.5
189.09535	1.5
189.11188	7.1
189.12688	1.6
191.10661	4.1
193.12141	1.4
199.09624	1.5
199.14793	1.8
201.16318	4.0
205.12297	1.0
211.14888	1.9
217.15916	2.6
219.17432	2.5
223.13335	2.4
227.12627	7.1
229.16039	4.2
237.16248	1.1
239.12721	1.2
245.15376	3.3
245.19022	2.5
247.16890	18.4
248.17206	1.0
255.17352	3.8
257.19040	1.5
263.16342	3.0
265.17935	8.7
269.17349	2.3
273.18469	22.1
275.20074	1.6
283.15454	2.7
291.19492	38.1
309.20563	3.6
319.18939	1.7
321.20578	22.8
322.20969	1.1
329.21201	1.5
337.20093	2.6
339.21609	40.4
347.22098	11.3
349.23636	1.8
355.21054	1.9
365.23163	29.4
383.24216	11.9
475.30356	1.3
491.29724	2.5
513.31964	1.7
519.34180	1.3
529.31189	1.1
531.32983	3.0
537.35864	1.4
547.32391	1.5
555.36194	1.5
593.38281	7.2
611.39380	26.2
612.39734	2.0
629.40387	33.9
630.40356	2.3
647.30817	1.4
647.41254	22.4
648.41235	1.8
713.79370	1.0
740.36871	1.4
845.39093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	1.9
65.03922	3.8
66.04695	1.5
67.05495	57.4
69.03420	6.4
69.06706	3.1
69.07061	48.8
71.04988	6.3
73.02873	1.9
73.06556	2.2
79.05482	81.5
81.03403	20.2
81.07047	100.0
83.04962	15.2
83.08607	33.0
85.02887	9.2
85.06529	4.5
90.62249	1.5
91.05466	67.5
93.07030	60.9
95.01314	2.3
95.04957	56.9
95.08595	39.1
97.02888	4.1
97.06522	17.0
97.10153	16.8
99.04424	5.8
99.08095	4.4
105.04520	2.6
105.07016	42.1
107.04935	23.6
107.08576	55.5
109.02873	2.1
109.06506	34.5
109.10129	15.9
111.04428	13.5
111.08062	11.2
115.05398	2.0
116.06257	2.0
117.07001	25.3
119.08568	50.5
121.06491	17.9
121.10132	27.7
123.04448	3.0
123.08047	33.1
123.11681	2.1
125.05985	7.7
125.09612	30.9
128.06200	4.3
129.05466	2.7
129.06992	14.5
131.08554	27.9
133.06534	8.2
133.07349	1.8
133.10104	27.5
135.08040	24.1
135.11664	13.0
137.09590	19.5
139.11137	4.7
141.06946	2.9
142.07834	2.4
143.07018	13.9
143.08537	14.1
145.06468	4.4
145.10106	25.2
147.08028	22.3
147.11662	14.6
149.09590	35.0
149.13177	2.2
151.07513	3.3
153.09079	22.2
155.08560	4.2
157.06493	2.3
157.10101	13.9
159.08032	2.4
159.11684	12.0
161.08098	5.4
161.09619	10.5
161.13268	3.6
163.07513	3.6
163.11148	28.0
165.09091	19.8
165.12717	3.5
167.10652	3.1
169.10054	3.6
171.10310	2.1
171.11700	6.5
173.09627	6.8
173.11842	1.7
173.13191	7.7
175.11189	5.5
175.14833	4.9
176.62782	1.8
177.09087	5.3
177.12697	4.6
181.08607	7.3
181.12161	3.4
183.11635	3.6
185.09543	1.7
185.13174	3.4
187.11188	6.5
187.14828	2.9
189.09319	1.8
189.11223	9.8
189.16322	3.0
191.10625	4.5
193.08560	1.8
193.12134	1.9
197.13242	2.5
198.55820	1.5
199.09608	13.5
199.11194	2.1
199.14769	13.3
201.16350	5.8
205.12216	4.1
209.13326	2.1
211.14970	2.3
217.15846	26.3
219.17474	2.9
223.13258	26.6
227.12354	8.4
227.14490	4.9
229.15863	4.4
235.61600	1.7
239.17810	4.0
241.14262	9.1
245.15347	59.7
247.16873	5.3
255.12239	1.8
257.18936	4.4
263.16422	31.8
273.18491	10.4
275.20029	47.2
281.17358	7.0
291.19498	20.6
293.21036	26.5
297.52075	1.7
309.20367	1.8
311.21667	1.5
319.19034	14.6
321.20447	7.7
337.16257	2.9
337.20032	37.9
339.21661	2.5
347.22153	2.3
349.23688	28.1
355.21078	22.0
365.23236	8.3
367.24741	42.7
383.24258	4.4
448.17776	1.7
501.31833	1.8
513.32019	3.2
517.31213	3.7
531.32977	8.8
549.34326	2.8
593.38135	8.1
611.39355	35.5
614.93524	1.7
629.40417	40.6
647.41516	14.6
648.41351	1.7
845.35864	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	845.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	0.9
61.02918	5.0
67.05493	5.9
69.03415	3.3
69.07053	2.5
71.04993	2.0
71.23676	0.4
73.02923	4.0
74.59933	0.5
79.05480	7.0
79.94125	0.6
81.03407	5.9
81.07045	8.7
82.07410	0.7
83.04991	1.9
83.08606	2.2
85.02890	5.3
85.06555	0.5
87.04469	0.5
91.03964	1.9
91.05467	6.4
93.07022	5.1
95.04935	2.8
95.08602	1.9
97.02882	4.2
97.06530	1.7
99.04453	1.1
101.02383	1.9
105.07010	4.5
105.29512	0.5
107.04980	1.6
107.08578	3.5
109.02872	1.1
109.06530	2.2
109.10145	1.2
111.04458	1.1
111.08073	1.2
115.07618	0.5
115.16795	0.4
116.32864	0.4
117.07071	1.3
119.08560	3.1
121.06523	1.2
121.10141	3.0
123.08058	2.5
125.09611	0.9
127.03927	1.4
129.05524	0.5
129.07013	1.6
131.08574	2.9
133.06520	0.9
133.10115	2.3
135.08051	1.1
135.11702	0.8
137.09673	0.7
143.07037	0.5
143.08565	0.9
145.10135	1.2
147.08084	1.2
147.11731	1.9
149.09583	2.9
157.10164	1.8
163.11220	1.3
165.09184	0.5
171.11736	0.6
175.11130	1.1
179.84212	0.5
193.12257	1.7
225.60347	0.5
243.08357	3.7
245.15602	0.6
246.15593	0.6
267.16080	1.4
272.44434	0.5
273.18692	0.7
283.15146	4.5
291.19458	1.1
295.94867	0.5
331.18869	2.1
339.17917	0.9
384.64981	0.6
387.21356	1.2
471.69812	0.6
501.23001	12.3
502.23502	1.2
549.26526	7.5
561.95758	0.5
585.24438	3.3
671.28210	0.6
684.32220	0.5
727.36041	0.5
741.37262	1.0
809.42664	1.3
845.40576	100.0
846.40759	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	845.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.4
61.02921	5.8
65.03941	0.4
67.05496	5.6
69.03422	3.2
69.07063	2.7
69.26362	2.2
69.39243	0.3
71.01372	0.7
71.05003	0.7
73.02910	4.7
79.05487	4.9
79.62649	0.4
81.03400	2.1
81.07050	6.2
81.22822	0.4
83.04992	1.2
83.08621	1.0
85.02895	4.9
86.09727	0.6
87.04475	0.5
87.33520	0.4
91.03950	2.8
91.05492	2.6
93.07030	4.4
95.04978	1.3
95.08595	3.0
97.02878	5.3
97.06508	0.4
97.10184	1.6
99.04459	1.1
101.02351	2.2
105.07040	2.1
106.18195	0.3
107.04975	0.4
107.08564	2.2
109.02901	0.9
109.06554	0.7
109.10150	1.9
111.04449	0.8
114.86632	0.4
115.03942	0.4
117.06985	0.5
119.08587	1.3
121.10153	1.6
123.08080	0.9
123.59938	0.4
125.09646	0.8
126.15463	0.4
127.03926	1.2
131.08591	1.1
133.10179	0.5
135.11732	1.2
137.09583	0.4
145.10097	0.9
147.08035	0.4
147.11707	0.6
149.13287	0.4
161.13237	0.5
163.11172	0.5
167.63562	0.4
184.07310	0.8
185.04289	1.0
243.08369	3.9
259.74362	0.4
301.08990	1.0
313.08963	0.4
315.10428	0.6
335.25754	0.4
348.44894	0.4
349.19824	2.6
369.15210	0.6
371.16742	0.6
373.11148	0.5
385.18347	0.4
405.22546	0.6
496.74069	0.4
497.20572	0.7
519.29138	5.4
567.27716	6.8
567.35889	0.6
591.31549	1.2
647.38123	0.5
845.50049	100.0
846.50305	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	845.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.8
63.32122	0.5
66.85394	0.5
67.05492	5.4
69.03413	3.2
69.07061	2.0
69.27957	2.0
69.28368	1.1
71.01362	0.6
71.04999	0.5
73.02904	3.8
79.05484	4.2
81.03415	1.7
81.07037	5.8
81.07412	0.5
83.08600	0.5
85.02887	5.4
87.04451	0.6
91.03934	3.9
91.05491	1.5
93.07040	4.7
95.04958	1.6
95.08590	3.5
97.02881	5.6
97.10178	1.0
99.04478	0.7
101.02410	2.0
102.44878	0.4
103.03981	0.5
105.07005	1.3
106.05247	0.5
107.08568	2.5
109.02876	1.2
109.06549	0.5
109.10170	2.3
111.04448	0.6
119.08596	1.8
121.10157	2.0
123.08118	1.1
125.09602	0.8
127.03935	2.1
131.08517	0.6
135.11690	0.9
145.04987	0.7
145.10127	0.7
147.11699	0.9
149.13319	0.7
159.11644	0.6
185.04303	1.1
243.08377	3.4
301.08990	0.8
335.25864	0.6
349.19696	4.4
400.58798	0.5
405.22272	0.7
519.29236	9.8
567.27606	3.6
591.31146	0.8
661.40686	0.6
845.50024	100.0
846.50507	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	845.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.2
65.03934	0.5
67.05493	5.3
69.03420	3.1
69.07068	2.0
71.01373	0.6
71.04980	0.9
73.02893	2.8
73.48908	0.4
74.36640	0.4
79.05480	7.3
81.03416	1.3
81.07043	7.3
83.04972	0.7
83.08604	1.1
85.02886	4.5
85.06540	0.7
91.03960	2.5
91.05469	4.8
92.05842	0.5
93.07019	5.7
93.07514	0.5
95.04987	1.9
95.08620	3.1
96.54420	0.5
97.02882	3.3
97.10162	0.5
99.04443	1.0
101.02368	1.3
105.04510	0.8
105.07018	4.4
105.44422	0.4
107.08585	2.5
109.02834	0.7
109.06538	1.0
109.10157	1.5
115.03957	0.6
117.07024	1.1
119.08564	3.8
119.76792	0.5
121.10158	2.0
123.08044	0.6
127.03943	0.9
129.06946	0.8
131.08575	1.9
133.10091	3.0
135.08012	0.8
135.11690	1.1
135.45302	0.5
137.09560	0.5
145.10104	1.1
147.11702	2.4
149.09621	0.7
157.10129	0.8
159.11705	0.9
161.13254	0.6
177.12834	0.5
182.56342	0.5
185.04185	0.8
194.89079	0.5
201.03615	0.5
203.05399	0.5
231.17490	1.6
243.08377	4.3
275.19891	0.7
301.08987	1.8
305.21246	0.6
313.09158	0.7
333.20322	4.3
351.34851	0.5
373.23593	0.8
397.18454	0.5
399.19803	0.6
423.19919	0.7
465.20856	0.6
481.20816	0.5
483.22119	0.6
535.28705	8.2
536.29218	0.6
551.28088	6.8
552.29303	0.6
600.65363	0.5
623.30597	1.2
649.38336	0.7
728.30371	0.5
747.43384	0.6
845.49969	100.0
846.50403	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	846.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	1.1
69.07045	0.8
69.25497	2.3
69.74181	0.5
74.49125	0.5
77.09377	0.5
80.31207	0.4
81.03408	1.0
85.02872	1.6
87.99981	0.5
91.05427	0.9
97.02844	1.4
105.03390	4.4
109.02867	1.0
119.04888	1.5
121.06473	2.4
123.04403	0.6
127.03876	1.2
131.24983	0.5
147.04353	4.8
152.10724	1.1
177.05400	1.3
187.05879	0.7
191.08499	2.0
193.31023	0.6
205.06851	0.7
207.08012	2.1
208.08792	1.1
209.09482	0.8
218.07159	1.0
219.07921	3.6
220.08786	4.3
221.09567	1.4
223.11098	4.1
224.08374	0.9
225.09158	0.6
232.08554	0.7
233.09526	2.1
235.07480	4.5
236.08276	11.0
237.08902	2.4
239.10640	2.1
247.07445	1.6
248.08231	1.1
249.09221	1.2
250.09836	1.5
251.07915	1.0
251.10625	21.0
252.08083	0.9
252.11156	0.6
257.17059	0.5
261.09109	1.0
262.09900	1.1
263.07123	1.5
263.10544	3.4
264.07672	1.7
264.11157	0.6
267.10245	5.8
277.08426	2.4
278.09262	1.7
279.10110	43.8
280.07339	1.2
280.10541	2.4
281.08090	0.9
281.11624	1.2
282.12549	1.3
287.05551	2.8
293.11713	1.2
294.12445	100.0
295.09622	40.6
295.12778	4.5
296.10068	2.7
298.12103	0.8
310.11920	47.1
311.12332	2.2
325.14282	75.3
326.14716	2.9
327.97769	0.5
348.62833	0.6
356.18497	97.7
357.18826	5.7
401.71548	0.6
418.18759	0.8
544.74811	0.6
719.51678	0.7
846.31342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04975	0.2
61.02911	1.1
69.03416	8.2
70.79612	0.2
71.04967	0.8
73.02888	0.6
77.03903	2.8
79.05476	2.3
81.03405	10.4
83.01299	0.2
85.02887	12.1
87.04454	0.5
91.03915	0.2
91.05462	2.2
93.07026	2.8
95.04951	12.0
97.02874	7.7
99.04437	1.9
101.08975	0.2
103.03916	0.3
103.05445	2.4
105.03373	100.0
105.04384	5.7
106.03722	1.2
109.02859	7.7
111.04409	0.2
117.06957	0.3
118.02605	0.2
121.06481	42.2
122.06055	0.2
122.06795	0.9
123.04408	6.6
127.03889	8.2
131.08595	0.2
135.11153	0.2
145.04921	3.1
150.09146	0.3
152.10672	30.9
153.11023	0.7
163.07573	0.4
165.05490	0.3
177.05461	0.2
188.35361	0.2
195.06525	0.5
231.06479	2.4
236.08311	0.3
249.07532	15.0
250.07802	0.3
251.10677	0.5
260.12579	0.2
267.08572	13.8
268.09149	0.4
279.10126	1.2
286.13004	0.2
294.12430	3.2
295.09689	1.0
295.12753	0.3
310.11948	2.2
325.14252	3.6
342.16959	1.4
375.10977	0.2
382.16623	0.2
400.17609	0.2
418.18521	14.0
419.18964	0.8
429.14026	0.3
497.14334	0.4
643.55469	0.2
666.25189	0.4
684.26111	1.6
756.32379	0.2
828.30896	0.4
846.31671	8.9
847.31647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06570	1.0
72.04496	1.1
74.06049	1.2
77.03918	2.8
79.05481	1.0
80.05006	0.5
81.03415	0.8
82.06559	0.7
86.06046	2.1
87.04451	1.0
88.07619	1.2
91.05453	1.3
93.07044	0.8
94.06557	1.2
95.04955	15.2
96.08104	3.0
105.03378	72.1
105.04398	5.1
105.07012	1.5
106.03690	1.0
107.97311	0.6
108.08078	1.3
108.68766	0.5
110.06003	0.7
115.05371	0.6
117.06996	1.1
119.04945	1.0
120.08077	0.6
122.05987	0.9
123.06802	0.6
124.07604	1.5
128.06238	0.7
129.06973	1.3
131.07285	1.2
131.08582	0.8
132.08078	1.0
136.07602	0.7
138.09172	1.3
141.07002	0.8
143.08580	0.8
144.08064	1.6
145.06487	0.8
145.08867	1.0
146.09608	1.8
147.15408	0.5
148.07541	1.4
149.05959	3.4
157.08849	6.4
158.09610	2.2
159.10446	0.8
160.07584	3.4
171.10510	0.7
172.07518	3.0
173.08347	6.5
174.09129	6.2
175.09952	1.8
177.41057	0.5
179.08617	1.2
187.09999	0.7
188.10683	0.9
191.08606	1.2
191.11931	0.6
191.42085	0.5
192.09401	0.9
193.10248	0.9
197.08325	0.7
198.09184	1.8
200.10776	0.9
203.08566	0.8
204.09404	1.7
205.10130	0.9
215.08595	1.1
216.09448	0.7
217.10097	1.3
219.11708	1.6
224.10681	0.6
229.10283	0.8
231.11700	1.5
233.09709	0.9
239.09013	0.6
244.11208	0.7
245.09669	1.0
246.12863	0.8
247.11174	1.4
247.13559	0.8
249.12733	0.6
252.31308	0.5
257.11984	1.1
258.12738	1.0
259.11139	1.1
260.10519	0.7
262.12283	0.8
272.14322	1.8
273.57471	0.6
274.12271	1.8
275.13107	1.3
276.13855	0.9
278.11835	1.9
280.13687	0.6
288.13757	2.9
289.14658	0.8
290.15286	4.4
292.13345	0.6
294.11371	1.1
296.12894	1.5
300.13770	5.7
301.13852	0.8
302.15469	1.3
306.14795	0.8
308.16238	1.0
313.17010	1.4
318.14789	6.1
331.18210	1.8
343.17999	1.4
360.16037	2.2
361.19193	1.8
378.17078	0.7
379.19968	0.6
403.19913	0.9
422.17538	1.4
465.28262	0.6
482.19437	1.2
497.07095	0.6
503.88416	0.7
519.12006	0.6
525.24133	0.8
528.45361	0.7
543.24835	0.9
599.11017	0.6
600.46222	0.7
624.25769	1.2
666.26782	7.7
666.37238	0.7
725.30554	2.0
728.28522	2.8
788.30542	4.5
847.34137	100.0
848.34406	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	847.444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.5
64.92344	0.3
67.05499	3.3
69.03423	2.2
69.07053	2.6
71.01369	0.4
71.04986	0.6
73.02904	2.7
79.05480	2.7
81.03413	1.8
81.07047	5.1
83.04980	0.9
83.08623	0.8
85.02889	4.0
87.04448	0.5
91.03941	2.2
91.05467	2.7
93.07033	2.9
95.04990	1.4
95.08602	2.7
97.02874	3.1
97.06523	0.6
97.10191	0.9
99.04452	0.6
101.02384	1.7
105.07002	2.0
107.04937	0.9
107.08594	1.3
109.02869	0.8
109.06509	1.6
109.10166	1.5
115.03932	0.6
117.06995	0.6
119.07851	0.3
119.08553	2.1
121.06530	0.6
121.10113	1.6
123.08053	0.5
125.09636	0.5
127.03907	1.2
131.08580	1.1
133.10162	1.1
135.08076	1.1
135.11702	0.5
137.09599	1.2
139.11179	0.5
143.27344	0.3
144.01027	0.4
147.08014	0.5
147.11734	0.4
149.02318	3.7
149.09569	0.6
153.09143	0.4
163.07516	0.4
163.11249	0.4
173.09564	0.4
185.04295	0.7
193.04944	3.0
203.05315	0.5
235.54761	0.3
237.07497	3.0
241.25429	0.4
243.08377	4.8
279.12247	0.4
301.08902	0.9
305.17252	2.1
313.09052	1.0
315.10583	1.2
347.18549	1.0
353.16245	1.2
361.20096	1.1
369.15445	0.4
385.09283	0.6
395.16882	1.3
403.20975	0.4
409.69205	0.4
410.32819	0.4
411.33200	1.0
429.11844	1.1
453.17419	0.8
523.25043	9.0
523.32544	0.6
565.26025	3.4
566.26813	0.4
595.27661	0.8
651.33020	0.5
719.36572	0.5
721.37842	0.6
731.30408	0.4
757.33423	0.4
761.36615	0.4
813.19159	0.4
847.44281	100.0
848.44659	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	847.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.0
65.03948	0.3
67.05499	2.2
69.03418	2.4
69.07065	3.1
71.04988	0.4
73.02909	2.8
79.05486	3.1
81.03411	2.1
81.07047	2.7
83.04974	0.6
83.08585	2.4
84.05742	0.3
85.02901	3.3
91.03939	1.7
91.05472	2.8
93.07033	2.6
95.04959	1.6
95.08617	1.3
97.02876	3.2
97.06541	0.3
97.10171	0.6
99.04473	0.9
101.02379	1.2
103.04003	0.3
105.06999	1.6
105.35163	0.3
107.04966	0.5
107.08576	3.1
109.02876	0.5
109.06498	0.5
109.10162	0.6
111.04448	0.9
111.08085	0.5
115.03961	0.4
117.07005	1.1
119.08539	1.5
121.06454	0.3
121.10161	1.2
123.08096	0.6
125.09667	0.9
125.11151	0.3
127.03934	1.1
129.05528	0.5
129.07005	0.5
131.08572	1.2
133.06491	0.5
133.10135	0.6
135.08087	1.3
135.11731	0.4
137.09663	0.8
143.07115	0.4
143.08463	0.3
145.05014	0.3
145.06412	0.3
145.10104	0.8
146.95467	0.3
147.08040	0.4
147.11775	0.4
149.09645	1.2
153.09061	0.3
163.07574	0.5
163.11221	0.7
171.35164	0.3
184.07516	0.3
185.04259	0.6
193.04910	0.3
203.05376	0.3
237.07724	0.5
243.08339	4.3
301.09024	0.5
303.06900	0.8
305.17331	0.4
313.08954	0.5
315.10678	0.5
333.20416	1.1
347.18408	0.3
349.20023	0.4
373.11429	0.3
389.22906	0.3
403.51648	0.3
413.20181	0.3
467.19229	0.3
521.23804	0.8
523.25146	4.2
537.22839	2.4
551.28296	2.9
565.25726	1.5
567.27771	0.6
571.99139	0.3
595.27094	0.4
623.30750	0.7
651.33722	0.3
702.41150	0.3
749.36566	0.6
824.58533	0.3
847.44305	100.0
848.44769	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	847.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.8
67.05505	3.5
69.03419	2.8
69.07056	2.9
71.05003	0.7
73.02908	3.0
79.05482	4.9
81.03403	1.8
81.07043	4.5
82.38173	0.5
83.04957	1.1
83.08610	1.3
85.02879	3.8
87.04438	0.5
91.03952	2.1
91.05468	3.8
93.07034	3.6
95.04967	1.6
95.08585	2.4
95.78535	0.4
97.02879	3.8
97.06525	0.9
99.04440	0.5
101.02374	2.0
105.07011	2.6
107.04942	1.3
107.08571	2.7
109.06501	0.7
109.10150	1.3
117.07016	2.0
119.08554	2.4
121.06493	0.7
121.10126	0.9
123.08093	0.8
125.09666	0.6
127.03889	0.9
129.05524	0.5
131.08595	0.9
133.10117	1.5
135.08035	1.3
135.11694	0.9
137.09634	0.8
143.07037	0.5
145.10092	1.2
147.11685	0.7
149.09666	1.1
159.11873	0.7
161.13307	0.9
163.11121	0.9
173.13283	0.6
185.04269	1.5
203.05322	0.8
204.13342	0.4
215.33865	0.4
243.08347	4.4
301.09076	1.0
303.06949	1.5
315.10556	0.6
333.20377	3.4
341.11844	0.6
389.23239	1.2
411.16321	1.0
439.15640	1.0
441.17627	0.7
523.25574	0.9
537.23059	5.0
539.24500	1.0
551.28168	6.6
595.26770	0.7
623.30579	1.1
651.33807	0.6
721.37817	0.6
749.37128	1.1
829.43536	1.0
847.44318	100.0
848.44666	9.5
870.47974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.9
67.05492	4.1
69.03417	2.3
69.07068	1.3
69.86980	0.8
69.87325	0.4
71.01343	0.7
73.02909	2.8
79.05480	3.5
81.03428	1.3
81.07040	4.4
83.05003	0.5
83.08625	1.0
85.02891	4.2
85.35394	0.3
87.04496	0.3
91.03947	2.1
91.05473	2.3
93.07036	3.3
95.04961	0.8
95.08595	3.3
96.40536	0.3
97.02885	3.2
97.10149	0.5
99.04475	0.7
101.02328	1.6
105.07051	1.4
107.08559	2.0
109.02845	0.5
109.10165	1.3
111.08051	0.3
115.03891	0.4
117.06998	0.4
119.08617	1.6
121.10184	1.1
123.11691	0.5
125.09699	0.5
126.08889	0.3
127.03914	1.5
131.08575	0.8
133.10194	0.9
135.11682	0.6
145.10139	0.5
147.11742	0.8
149.13283	0.6
159.11624	0.4
185.04286	0.6
212.48416	0.3
243.08287	1.8
300.24817	0.3
351.21344	3.2
519.29242	5.0
569.29248	5.3
569.37524	0.4
744.22174	0.4
847.51672	100.0
848.51819	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	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	3.0
61.02921	10.7
65.03934	2.7
67.05495	100.0
68.05818	1.1
69.03423	2.8
69.07054	8.7
71.04972	2.9
73.02901	3.8
79.05079	0.5
79.05483	20.9
81.03414	1.8
81.07047	42.1
82.07388	0.6
83.04983	1.3
83.08612	8.3
85.02888	13.8
85.06533	2.8
91.03938	7.9
91.05464	14.2
93.07033	28.2
95.04945	3.1
95.08595	25.6
95.09202	1.3
97.02880	7.1
97.06526	2.0
97.10165	1.9
99.04448	1.2
99.08052	1.4
101.02399	0.7
103.03962	0.7
105.07013	8.8
107.08576	15.5
109.02924	0.8
109.06489	1.3
109.10142	76.2
109.84877	0.5
111.08050	2.9
113.09578	0.6
117.06984	3.9
119.08562	12.4
121.10129	12.7
123.08108	0.7
123.11682	4.1
125.09595	0.9
127.03904	2.0
127.11137	0.8
129.07089	0.7
131.08546	7.0
133.10110	6.3
135.08058	0.7
135.11673	8.0
137.09586	3.8
137.13235	2.0
143.06816	0.7
145.04875	3.3
145.10107	4.5
147.11673	4.1
149.13261	5.8
155.10641	4.7
159.11642	3.3
161.13266	3.5
163.06000	4.8
163.14810	2.7
173.11729	18.8
173.13229	4.3
175.14758	0.9
177.16321	0.7
186.64735	0.6
187.14822	2.0
189.11160	0.7
227.12767	5.9
229.14317	90.6
230.14618	1.8
233.22600	1.0
243.21016	6.4
261.22089	22.3
263.23660	0.6
299.23813	0.8
317.24567	2.9
333.24350	0.7
335.25754	74.4
336.26096	3.0
379.29651	1.2
397.30811	1.7
415.31989	1.1
471.34573	2.4
489.35681	71.3
490.36230	4.2
493.52240	0.6
507.36816	6.9
600.50293	0.6
633.39594	0.9
673.79517	0.7
848.49683	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	848.499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.6
61.02917	12.1
61.03198	0.4
65.03937	2.1
67.05495	97.8
67.65495	0.6
68.05836	1.1
69.03428	3.0
69.07059	7.1
70.67883	0.9
71.04984	3.5
73.02901	4.1
79.05481	19.0
81.03423	1.4
81.07043	37.4
83.04974	1.0
83.08599	6.5
84.98350	0.5
85.02889	13.0
85.06554	3.5
85.06973	0.6
87.32724	0.6
91.03951	8.5
91.05463	15.5
93.07030	23.4
95.04951	2.5
95.08588	24.0
96.04487	0.6
97.02872	6.9
97.06519	1.8
97.10155	2.1
99.04422	1.1
99.08076	1.2
103.03924	0.9
105.04519	1.4
105.07002	7.6
107.08574	14.0
109.02854	1.0
109.06514	1.1
109.10139	70.2
110.10442	1.0
111.08093	2.8
114.57479	0.5
115.03923	0.7
117.06986	3.3
119.08578	11.9
121.10110	11.7
123.07996	0.7
123.11658	3.1
125.09630	1.6
127.03896	3.9
129.06952	0.8
129.40038	0.7
131.08551	4.8
133.10107	5.3
135.11684	6.5
136.19470	0.6
137.09578	3.6
137.13228	1.7
143.08545	0.9
145.04948	4.5
145.10115	4.1
145.35754	0.7
147.11674	4.7
149.13269	4.9
155.10626	5.0
159.11687	3.3
161.13234	1.8
163.06001	4.9
163.14706	3.0
173.11746	20.0
173.13232	3.9
175.14786	0.7
177.16376	0.9
187.14749	1.9
189.11188	1.8
227.12726	7.4
229.14311	100.0
230.14691	2.0
243.21016	5.2
261.22113	16.6
271.07251	0.6
317.24731	3.9
335.25748	68.7
336.26013	2.7
379.29599	1.3
397.30774	2.0
415.31686	2.0
471.34479	2.7
489.35678	45.7
490.35831	2.4
507.36728	5.6
651.40173	0.7
802.64197	0.8
848.49072	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	849.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07594	0.3
61.02920	3.3
62.66934	0.3
65.91505	0.3
67.05489	2.7
69.03412	2.6
69.07069	1.9
71.04990	0.7
73.02916	2.8
75.07947	0.3
79.05485	3.8
81.03415	1.9
81.07048	4.3
83.04993	1.0
83.08616	3.5
85.02901	4.0
91.03951	2.2
91.05479	3.8
93.07039	3.5
95.04967	1.6
95.08611	1.3
97.02872	3.4
97.03363	0.3
97.06522	0.7
97.10168	0.9
99.04464	1.7
101.02350	1.7
105.04533	0.5
105.07032	1.9
107.04964	0.7
107.08593	3.0
109.02878	0.5
109.06504	0.7
109.10174	0.8
110.34735	0.3
111.04444	1.3
111.08081	0.8
117.07008	1.6
119.08598	1.8
121.06496	0.4
121.10159	1.2
123.08054	1.1
125.09670	1.3
127.03921	0.8
129.05470	0.4
129.07030	0.5
131.08572	1.6
133.10110	0.7
135.08078	1.4
135.11708	0.6
137.09651	0.7
137.10655	0.3
145.10175	0.7
147.11693	0.3
149.09570	1.6
153.09126	0.4
159.11757	1.0
163.11223	1.3
185.04257	0.7
201.16457	0.4
219.17606	0.4
243.08339	4.3
243.10478	0.3
259.07895	0.7
269.37073	0.3
291.19849	0.5
301.08957	0.6
305.17139	1.6
313.09167	0.4
349.19858	2.9
361.19913	0.9
383.16705	0.4
405.22577	0.8
451.19299	0.5
455.18515	0.5
497.20026	0.7
497.66824	0.4
523.25104	11.4
524.25983	0.4
567.27661	4.1
595.27429	1.2
665.34991	0.5
733.37836	0.6
849.45923	100.0
850.46149	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	849.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25738	0.3
61.02924	3.4
67.05493	2.7
69.03419	2.6
69.07056	3.0
71.01357	0.4
71.04974	0.5
73.02904	2.6
76.38823	0.3
79.05479	4.5
81.03409	2.1
81.07046	4.3
83.04967	1.4
83.08619	1.1
85.02891	3.8
91.03942	1.9
91.05482	2.8
93.07027	2.7
95.04947	1.5
95.08587	1.9
97.02880	3.1
97.06539	0.9
97.10180	0.6
99.04467	1.1
101.02396	1.4
105.07005	1.8
107.04965	0.8
107.08564	2.3
109.02877	0.6
109.06509	0.9
109.10172	0.9
111.04455	1.1
111.08084	0.4
114.21590	0.3
117.07018	1.1
119.08556	1.6
121.06491	0.6
121.10103	1.6
123.08073	0.9
125.09653	1.0
127.03970	0.9
129.05502	0.3
129.07080	0.5
131.08585	0.9
133.10149	0.5
135.08090	0.9
135.35316	0.3
137.09622	0.8
143.07033	1.1
145.10153	0.9
147.08080	1.0
147.11737	0.3
149.09567	1.4
159.11700	0.6
161.08078	0.3
163.11220	1.3
183.94025	0.3
185.04309	0.5
197.10210	0.3
203.05432	0.3
206.82904	0.3
215.82205	0.3
223.13370	0.4
243.08327	4.2
243.10457	0.3
259.07999	0.4
301.08844	0.7
313.09119	0.7
315.10471	0.5
321.16745	1.1
333.20392	1.8
341.12180	0.4
349.20010	0.7
357.15302	0.5
411.16479	0.4
423.16327	0.7
425.17743	0.4
469.17374	0.4
523.24976	3.1
529.85919	0.3
539.24548	6.2
551.28326	4.4
567.27844	1.1
623.30457	1.0
665.34625	0.4
687.41534	0.4
733.37433	0.7
745.29773	0.4
751.37897	0.3
759.35419	1.0
849.45868	100.0
850.46143	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	849.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.2
61.03212	0.6
65.03917	0.4
67.05486	3.5
68.46822	0.3
68.80687	0.3
69.03422	2.9
69.07058	3.0
71.01350	0.4
71.04974	0.8
73.02901	2.7
79.05480	4.0
81.03413	1.9
81.07041	6.7
83.04991	1.0
83.08607	0.8
85.02889	3.7
91.03946	1.7
91.05463	2.7
93.07022	3.2
95.04964	1.2
95.08582	2.3
97.02876	4.2
97.06548	0.5
97.10172	0.7
99.04462	0.7
101.02387	1.3
105.07027	1.3
107.04971	0.8
107.08546	1.6
109.02882	0.6
109.06486	1.7
109.10167	1.4
117.07044	0.8
119.08546	1.9
121.10159	1.4
123.08096	1.1
125.09624	0.9
127.03922	1.0
131.08585	1.1
133.10118	0.4
135.08057	1.3
135.11670	0.6
137.09657	1.2
139.11047	0.3
145.04950	0.5
145.10114	0.7
149.09653	1.2
151.11249	0.5
151.18214	0.3
157.10091	0.4
161.09573	0.4
163.11206	0.7
185.04199	0.4
201.03738	0.6
203.05188	0.6
211.66135	0.4
229.49403	0.3
243.08342	4.6
275.16055	0.4
301.08942	1.4
305.17145	2.8
313.08945	0.4
315.10535	1.2
349.19766	3.0
361.20050	0.7
363.93710	0.3
383.54962	0.3
389.22989	0.5
395.16925	1.3
397.18521	0.6
405.22821	0.4
408.90216	0.4
451.19528	0.6
453.17560	0.9
455.18872	0.8
471.35623	0.4
523.25061	9.9
524.25586	0.5
539.24762	0.7
551.28033	0.7
567.27722	4.8
595.27222	1.1
639.29395	0.5
665.35333	0.4
733.37183	0.7
779.37488	0.6
807.15118	0.5
849.45868	100.0
850.46198	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	849.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.0
65.03942	0.5
66.39603	0.3
67.05496	3.1
69.03432	2.4
69.07066	2.7
70.56599	0.7
71.04999	0.4
73.02907	2.8
79.05483	3.4
80.72812	0.4
81.03407	1.8
81.07050	4.3
83.04969	0.6
83.08642	1.3
85.02898	3.3
91.03963	1.4
91.05483	2.9
93.07034	3.1
95.04984	1.4
95.08605	1.8
97.02888	3.0
97.06533	0.9
97.10178	0.6
99.04475	0.9
101.02381	1.7
103.03900	0.4
105.07042	1.8
107.04945	1.3
107.08590	1.9
109.02886	0.7
109.06543	0.9
109.10200	1.1
111.08160	0.5
117.06995	0.8
119.08562	1.6
119.67706	0.3
121.06498	0.6
121.10188	0.9
123.04405	0.4
123.08066	1.7
123.53176	0.3
125.09608	0.8
127.03934	1.0
129.07037	0.6
131.08601	1.4
133.10127	0.8
135.08086	1.4
135.11722	0.6
135.32710	0.4
137.09673	1.1
143.07056	0.5
145.10132	0.7
147.11719	0.7
149.09622	1.7
157.10104	0.4
159.11702	0.4
163.11221	0.8
169.10106	0.4
185.04251	0.7
203.05347	0.6
203.65016	0.5
206.42844	0.3
229.16000	0.4
243.08369	4.1
259.08023	0.5
278.47891	0.4
301.09064	1.0
305.17380	1.3
313.09210	0.7
315.10608	0.7
321.16830	0.4
333.20517	1.1
349.19852	1.3
361.19891	0.8
369.15408	0.4
383.16925	0.5
401.69412	0.3
423.19888	0.5
438.79562	0.4
523.25067	7.5
539.24457	2.3
551.28442	1.3
567.27698	3.5
595.27533	0.5
623.30231	0.4
721.37408	0.5
733.37500	0.5
840.99634	0.4
849.45941	100.0
850.46179	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	849.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57359	0.3
61.02922	3.0
65.03934	0.4
65.29919	0.3
67.05502	3.1
69.03436	2.6
69.07061	3.0
69.72226	0.6
69.72575	0.8
71.01334	0.3
71.04992	0.6
73.02913	2.2
79.05478	3.0
81.03415	1.9
81.07047	3.5
83.04990	0.7
83.08620	1.4
83.44049	0.3
85.02905	3.3
87.04504	0.4
91.03964	1.8
91.05463	2.4
93.07049	2.5
95.04958	1.5
95.08591	2.0
97.02892	3.3
97.06536	0.9
99.04488	0.9
101.02361	1.0
105.07029	2.3
107.04984	1.0
107.08585	1.9
109.02809	0.3
109.06510	0.6
109.10167	0.9
111.04453	0.4
117.07035	0.9
119.08585	1.6
121.06525	0.4
121.10162	1.3
123.08118	1.1
125.06032	0.3
125.09680	0.7
127.03918	1.1
129.05511	0.4
129.06982	0.6
131.08586	1.2
133.10149	1.2
135.08081	1.0
137.09634	1.0
142.42952	0.3
143.07060	0.9
143.08531	0.3
145.04893	0.3
145.10146	0.7
147.08095	0.8
147.11690	0.3
149.02382	0.9
149.09657	1.2
153.09151	0.6
157.10054	0.6
160.90547	0.3
163.11208	0.5
165.09180	0.7
185.04321	0.4
185.64790	0.3
188.49098	0.3
190.68915	0.3
241.06909	0.5
243.08401	2.9
275.20215	0.4
301.08923	0.7
313.09161	0.8
313.12833	0.4
315.10544	0.6
321.16934	0.9
333.20395	2.8
373.23575	0.5
382.88116	0.3
442.59128	0.3
457.02411	0.4
469.17188	0.4
523.25067	1.0
527.24243	0.4
538.23248	0.4
539.24548	7.0
540.25702	0.4
551.28223	5.0
552.28992	0.4
567.27222	0.3
623.30347	1.7
719.42206	0.4
733.37561	0.6
848.45178	1.0
849.45740	100.0
850.46021	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	850.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.7
61.02917	5.0
63.65908	0.3
65.03916	0.4
66.84688	0.3
67.05493	7.0
69.03415	1.4
69.07050	1.9
71.01318	0.6
71.04969	2.1
73.02911	1.8
77.03899	0.4
79.05479	12.0
81.03404	8.1
81.07043	8.8
83.00871	0.4
83.01321	4.4
83.04967	7.3
83.08603	6.4
85.02891	8.4
85.06507	0.4
91.03943	3.6
91.05465	7.4
93.07028	12.5
95.04427	0.4
95.04954	5.0
95.08587	4.5
97.02876	4.1
97.06498	2.5
97.10119	0.8
99.04427	1.9
105.04456	0.3
105.07002	4.8
107.04934	4.5
107.08576	7.2
109.02840	0.7
109.05846	0.4
109.06497	3.7
109.10120	1.1
109.77769	0.3
111.04427	1.8
111.08035	1.1
111.11665	0.4
115.85516	0.3
117.06997	4.7
119.08558	5.2
121.06493	2.7
121.10118	4.7
123.04415	0.5
123.07240	0.5
123.08051	5.7
124.08296	0.3
125.05936	1.1
125.09566	0.7
127.03875	1.3
127.45422	0.4
128.06140	0.4
129.06950	0.7
129.69641	0.3
130.07727	0.8
131.08554	2.0
133.10065	1.2
133.69781	0.3
135.07993	1.3
135.11673	7.1
137.09573	1.0
139.07529	0.3
143.08551	0.6
145.04906	2.0
145.06377	0.6
145.10097	10.1
146.10419	0.5
147.07939	1.5
147.11580	0.3
149.09628	0.7
153.12708	1.8
155.08530	1.0
163.05940	2.2
163.11148	17.2
173.09576	2.1
180.08569	0.3
181.12187	2.0
191.10641	2.2
202.35529	0.3
209.11694	4.2
227.12750	2.4
283.15344	100.0
284.15652	2.8
398.04565	0.3
447.11929	0.3
461.28076	0.3
473.25369	0.6
491.26300	58.0
492.26559	3.0
723.77271	0.4
850.39771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	0.9
63.22051	0.6
65.03929	1.7
65.80988	0.7
67.05151	1.5
67.05492	19.7
69.03418	3.1
69.07054	9.0
71.04978	1.7
74.25065	0.6
77.03929	0.9
79.05478	39.9
81.03397	5.6
81.07040	100.0
82.07374	0.9
83.04954	7.2
83.08600	6.7
85.02911	4.0
91.05462	22.1
93.07024	18.9
94.66823	0.8
95.04956	15.9
95.08591	10.3
97.02863	2.2
97.06509	3.9
97.10149	7.8
98.23454	1.6
99.00813	1.6
99.04442	2.4
103.05470	1.2
105.04498	0.9
105.07014	15.0
107.04931	7.8
107.08570	11.6
109.02877	2.9
109.06497	50.1
109.10140	5.3
110.06800	1.3
111.04418	9.6
111.08062	2.7
115.05405	1.1
116.06205	1.0
117.06990	12.2
119.04930	1.0
119.08556	23.4
120.37686	0.8
121.06474	8.7
121.10137	6.1
122.61466	0.8
123.04388	1.9
123.08022	4.9
123.11714	1.0
125.02301	0.7
125.09624	6.3
128.06203	2.1
129.06975	4.9
130.07764	1.3
131.08554	8.9
133.06479	3.3
133.10095	7.8
135.04425	0.9
135.08031	8.6
135.11684	3.6
137.09596	3.2
142.07758	0.8
143.08540	5.0
145.06451	2.1
145.10106	13.3
147.08022	9.3
147.11668	2.5
149.09598	5.7
151.11209	0.7
153.09077	1.3
153.12723	3.4
155.08519	1.2
156.21199	0.8
157.06470	0.9
157.10107	5.8
159.08008	2.6
159.11661	3.3
161.09605	9.9
163.07541	3.1
163.11153	7.2
165.09111	2.8
167.08507	0.8
169.10179	1.3
171.07990	0.7
171.11664	3.0
173.09616	2.1
175.11200	2.6
177.09071	1.0
179.10677	1.2
181.12206	2.6
183.10161	1.1
183.11658	0.9
185.13214	2.0
187.11214	1.3
189.11194	4.0
189.12715	1.0
191.10635	2.6
193.12187	5.6
195.11533	0.7
199.11108	1.4
209.11620	1.4
213.12740	1.1
223.13289	2.3
225.98314	0.7
227.12703	3.6
227.17903	1.7
237.16493	0.9
245.18918	1.9
249.14844	3.1
255.17252	1.7
261.18365	0.9
271.16867	1.9
273.18430	25.6
274.18832	1.0
283.15222	1.7
289.17972	6.3
291.19482	88.8
292.19897	2.5
307.19092	2.4
309.20627	1.8
311.19638	0.8
329.21283	0.9
345.20883	1.0
347.22095	12.0
363.21762	2.2
365.23169	19.6
381.22641	26.9
382.22723	1.0
424.27609	0.8
489.28448	1.5
535.32629	0.8
555.33252	1.4
579.36591	0.8
635.39368	1.4
653.40228	11.1
654.40765	0.8
671.41364	34.6
672.41650	2.7
851.46338	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	852.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12494	0.2
65.03596	0.3
65.03934	4.3
65.21573	0.2
69.03419	1.5
70.06583	0.6
71.79642	0.2
75.04446	0.4
77.45995	0.2
79.05474	0.4
85.02882	1.2
91.05447	1.4
93.03397	0.3
94.06534	0.4
95.04943	0.7
97.02880	0.7
105.03345	0.2
105.07031	0.5
108.08118	1.3
109.02885	0.3
109.06522	0.6
110.09666	0.3
111.04433	3.3
115.05448	0.4
117.06985	0.5
119.04917	0.4
121.02850	100.0
121.03870	3.4
122.03214	1.3
122.09650	1.0
127.03897	0.7
128.06261	0.4
129.06993	1.2
131.08537	0.9
133.02853	0.5
133.06438	0.3
134.09645	0.5
135.04434	0.4
137.06003	0.4
138.09163	0.4
139.03853	0.6
141.07010	0.5
143.08508	0.4
145.04977	0.2
145.06525	0.5
146.09616	0.5
147.04387	0.6
147.08084	0.5
148.11110	0.3
152.10692	2.0
153.06953	0.4
155.08527	0.4
158.09621	0.5
159.08052	0.3
160.11160	0.4
161.09641	0.3
165.06978	0.5
167.08601	0.6
167.50153	0.2
170.09554	0.3
172.11200	0.6
174.09088	1.7
177.05482	0.6
178.07838	0.3
178.12315	0.5
179.08620	0.7
181.06407	0.3
181.10089	0.4
184.11281	0.4
185.09677	0.3
186.12817	0.5
187.07445	0.3
188.07011	1.2
190.07767	0.3
190.12274	0.4
191.08571	0.5
192.09410	0.4
193.10170	0.5
194.07419	0.3
202.12225	0.3
205.10133	0.8
215.08693	0.3
217.10138	0.5
218.15410	1.3
222.12776	0.3
231.08031	0.3
233.09673	0.6
235.11150	0.4
261.08981	0.3
268.13513	0.3
290.15720	0.3
322.17853	0.5
323.12946	0.3
350.17499	0.8
354.20673	0.7
368.18604	0.7
372.21515	1.3
386.19644	0.3
400.21338	0.9
410.19702	0.9
414.22961	0.5
418.22339	0.5
432.24091	0.8
492.24252	0.5
510.24860	0.6
520.23468	0.7
538.24133	0.5
552.26038	1.3
570.26880	1.9
571.27228	0.2
580.26233	0.3
612.28149	0.9
630.28864	1.3
638.65125	0.3
641.15344	0.3
651.72870	0.3
690.31708	0.7
714.31158	0.7
731.90955	0.3
732.32532	0.7
774.33734	0.5
792.34357	4.2
834.47534	0.3
852.36310	60.3
853.36591	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	852.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09892	0.4
63.94644	0.5
65.03941	4.2
67.05483	0.6
69.03407	1.7
69.61509	1.5
70.06578	1.0
71.04966	0.5
72.08141	0.8
75.04478	2.1
79.05479	0.9
80.04995	0.6
81.03384	0.8
84.08125	0.8
85.02899	2.1
86.52200	0.5
87.04418	0.5
88.07626	1.0
91.05479	3.3
93.07018	1.0
94.06560	0.7
95.04939	1.7
96.08146	0.5
97.02888	0.8
99.04466	0.7
102.09148	0.9
105.04474	0.5
105.07014	3.9
107.04921	1.4
107.08649	0.4
108.08127	2.7
109.02879	0.9
109.06528	0.7
111.04427	2.9
112.07555	0.5
115.05447	1.3
117.07006	2.5
119.04939	0.9
121.02853	96.7
121.03880	3.2
121.06477	1.6
121.08891	1.0
122.03198	1.5
122.09669	2.1
123.04409	0.8
124.07584	0.7
125.17578	0.4
127.03904	1.1
128.06201	1.0
129.06947	2.0
131.04907	0.9
131.07234	0.8
131.08627	0.6
132.08073	0.8
133.06483	1.0
134.09645	0.9
135.04465	0.7
135.08026	0.9
136.07544	0.6
137.05962	1.5
138.09132	0.9
138.83084	0.4
141.06958	0.8
145.06412	2.0
146.09650	1.0
147.04367	0.5
147.08066	1.1
147.10413	0.8
149.05952	1.8
149.09569	0.5
152.10661	2.9
153.06955	0.9
155.08543	1.1
157.06512	0.8
158.09628	1.7
159.08032	1.0
159.10367	0.7
160.11212	2.1
162.09183	1.5
163.07515	1.5
164.10667	0.5
165.06993	1.0
167.08525	0.9
169.06490	0.9
171.08041	0.5
172.11195	1.4
174.09154	1.5
176.10667	0.9
177.05519	1.0
177.09135	1.4
178.07770	0.9
178.12308	1.2
179.08545	1.8
180.09364	0.4
181.06444	0.7
181.10068	0.7
183.08067	0.5
184.11218	1.0
186.09218	0.5
186.12697	0.5
187.07533	1.3
187.09979	0.5
188.10712	1.3
190.07738	1.0
190.12299	0.7
191.08533	2.3
191.10162	0.5
192.09424	0.5
192.13821	0.6
193.10138	1.3
194.07381	0.6
194.11725	0.6
195.08046	1.1
197.09676	0.4
198.12866	0.6
200.10674	1.2
202.07841	1.4
202.12234	0.9
203.08632	2.1
204.10124	0.8
205.10155	1.8
207.08034	1.8
207.11693	0.8
208.08847	0.6
209.09628	1.9
211.07382	0.5
212.10690	0.6
214.12292	0.8
215.08621	1.0
217.10075	1.3
218.07173	0.6
218.11800	1.2
219.08086	2.1
219.11864	0.5
220.08992	0.6
220.11256	0.6
221.09656	2.5
222.14890	0.7
223.11179	1.6
224.10648	0.8
231.08041	0.9
232.08771	0.6
232.13310	1.0
233.09593	3.0
234.10538	0.8
235.07497	0.7
235.11182	1.4
237.09087	1.1
238.12294	0.6
240.13849	0.5
245.09549	1.0
247.11382	0.6
249.09019	0.9
249.12886	0.6
251.10680	1.7
252.13831	0.6
260.14355	0.6
261.09103	0.7
262.12387	1.7
263.10648	1.0
264.13751	1.1
265.12247	1.6
266.15384	0.6
269.96475	0.5
275.13068	0.8
276.13837	1.3
277.12238	0.6
278.15497	0.8
279.10062	0.9
290.15421	1.0
293.11646	0.8
306.14819	0.7
308.16351	0.7
318.14789	1.0
326.17609	0.5
336.16025	0.8
341.13559	0.6
350.17703	0.9
368.18555	1.4
372.21747	0.6
382.20212	1.2
400.20975	0.7
414.22971	1.0
456.18042	0.6
474.18372	0.4
488.20798	0.8
494.21811	1.1
520.23334	2.9
538.24493	0.6
552.25775	3.5
570.26941	5.6
580.25500	0.8
612.27911	1.4
656.27008	0.5
682.28894	0.6
714.31177	3.1
732.32227	3.2
774.33002	2.3
792.34210	9.9
793.33893	0.9
852.36310	100.0
853.36774	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	852.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.6
62.65330	0.6
65.03912	1.1
67.05491	13.9
69.03423	3.6
69.07059	4.9
71.01334	1.5
71.04983	3.3
72.01503	0.5
73.02913	2.5
73.06596	0.6
79.05483	20.2
81.03406	35.4
81.07042	16.9
83.01328	4.5
83.04517	1.0
83.04971	10.6
83.08607	13.7
85.02892	21.2
85.06544	1.2
91.03938	5.6
91.05466	18.3
93.07034	18.4
95.04956	15.5
95.08591	7.0
96.13585	0.6
97.02880	7.1
97.06513	3.7
97.10147	1.9
98.22705	1.9
99.04459	1.9
99.08094	0.6
105.07018	13.1
105.07718	0.7
107.04942	7.0
107.08581	9.7
109.06525	4.8
109.10165	2.0
111.04411	2.7
111.08054	5.3
113.05988	1.4
115.05548	0.7
117.07014	4.3
119.08561	12.0
121.06497	2.1
121.10133	8.4
123.08076	5.7
125.05988	1.1
125.09624	1.7
127.03925	1.9
128.06151	0.8
129.06978	5.8
130.07854	0.6
131.08536	6.5
133.06467	1.1
133.10110	6.8
135.08102	1.0
135.11662	6.5
137.09634	1.9
142.07866	1.0
145.04922	1.4
145.06413	0.7
145.10101	9.3
147.08075	2.6
147.11658	6.3
149.09605	3.5
153.12703	1.4
155.08556	1.1
157.10088	6.3
163.06018	2.4
163.11159	13.7
165.12759	1.4
173.09610	2.2
175.11160	6.8
177.54404	0.6
181.12262	1.8
189.11221	0.8
191.10649	1.8
193.12219	19.4
193.13960	1.1
194.12657	0.6
209.11649	3.0
211.13266	27.2
227.12753	2.7
246.51244	0.5
265.14355	1.4
267.15903	7.8
283.15359	44.1
284.15817	1.2
285.16925	26.4
301.16507	0.7
383.22214	2.3
401.23352	1.8
457.25748	4.5
475.26862	16.9
492.39355	0.6
493.27893	100.0
494.28189	5.0
637.32434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00246	1.8
65.03928	4.3
67.05494	35.8
69.03429	4.3
69.07059	23.0
71.00768	1.6
71.04994	4.1
77.03947	2.3
79.05480	48.0
81.03375	8.6
81.07045	100.0
83.04979	8.1
83.08601	9.6
85.02895	3.5
85.06518	3.0
91.05464	34.1
91.05980	3.2
93.07031	33.4
95.01331	2.3
95.04961	16.4
95.08590	28.8
95.91529	1.6
96.08112	2.2
97.02882	3.3
97.06524	7.7
97.10161	7.2
99.04414	1.8
99.08058	2.5
103.05505	1.9
105.07021	38.8
107.04952	14.2
107.08581	20.3
109.02866	7.3
109.06502	37.5
109.07213	3.0
109.10139	12.7
111.04423	3.1
111.08092	4.7
117.07005	12.2
119.08551	28.2
121.06488	8.7
121.10130	12.4
123.04433	2.1
123.08063	9.6
123.11742	3.9
125.09625	5.4
128.06203	2.9
129.06999	4.1
131.08542	16.8
133.06508	3.6
133.10104	26.2
135.08055	18.2
135.11711	7.2
137.05902	2.0
137.09624	7.3
143.08511	5.8
145.06514	3.9
145.10117	15.1
147.08037	5.2
147.11661	14.1
149.09630	5.8
149.13249	5.3
151.11151	3.6
153.09132	2.1
155.08549	2.0
157.10156	6.5
159.08078	5.0
159.11671	7.2
161.09628	7.9
161.13297	3.6
163.07556	3.8
163.11200	7.0
165.09157	1.9
165.12708	3.1
169.10127	2.1
171.11629	2.7
173.09602	3.6
173.13281	4.2
175.11192	3.6
177.12724	2.7
179.10680	7.0
179.14316	2.6
181.12480	1.7
189.09219	3.2
189.11179	2.6
189.12773	2.3
191.86157	1.8
193.12169	3.2
197.13287	2.3
219.17422	3.9
227.12743	3.5
229.19449	2.5
243.17471	5.3
247.20532	4.4
257.19012	5.1
261.18515	3.7
271.16949	7.9
273.18503	5.6
275.20059	48.9
283.15167	2.1
285.24094	4.3
289.17966	22.4
291.19440	8.3
293.21063	4.7
307.18848	2.0
347.22229	2.1
349.23663	25.9
350.88751	1.6
363.21634	38.1
364.22079	2.3
367.24741	14.1
381.22726	10.4
493.35120	4.5
526.94696	1.7
619.40320	2.8
635.74774	2.0
637.40967	48.0
638.41156	4.6
655.42010	73.3
656.42218	6.0
852.42987	6.7
853.44666	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	852.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.6
67.05496	50.6
69.03407	6.4
69.07058	25.6
70.06007	5.1
71.04974	6.3
79.05482	70.4
80.48225	1.5
81.03407	9.9
81.07045	100.0
83.01331	2.1
83.04965	18.2
83.08611	29.0
85.02890	4.4
91.04931	3.7
91.05470	53.1
93.07030	53.9
95.04948	58.6
95.08595	28.7
97.02855	5.8
97.06513	9.1
97.10155	13.3
98.23410	2.1
99.04447	5.2
103.05453	3.9
105.04510	2.5
105.07017	42.5
107.04938	30.3
107.08578	40.2
109.02894	11.6
109.06500	36.9
109.10149	16.4
111.04436	12.1
111.08052	7.9
115.05408	4.5
117.06998	26.0
119.08562	40.1
121.02824	2.6
121.06493	13.6
121.10111	18.2
123.04420	3.4
123.08069	11.6
123.11669	3.9
125.06013	2.1
125.09634	10.8
127.01218	1.8
128.06200	3.0
129.06999	8.3
131.08542	21.3
133.06458	5.6
133.10106	30.7
135.08046	31.0
135.11638	8.8
137.06003	1.9
137.09575	9.3
139.11169	2.4
141.06944	4.5
143.08568	12.0
145.06480	7.1
145.10100	28.8
147.07993	10.8
147.11639	10.0
149.02333	2.5
149.09590	20.4
149.13283	2.8
151.11104	3.7
153.09102	5.1
153.12735	2.6
155.08533	4.9
157.06421	2.3
157.10107	6.2
159.08049	15.1
159.11638	10.9
161.06049	1.7
161.09621	14.6
161.13257	2.1
163.07497	11.4
163.11180	20.6
164.11346	1.9
165.09067	2.6
165.12762	4.5
169.10110	9.0
171.07986	2.4
171.10289	1.9
171.11678	5.6
173.09586	9.7
173.13274	4.8
175.11090	4.7
175.14677	1.9
177.09119	2.8
177.12733	6.1
179.10669	10.3
183.11691	4.6
185.09634	2.0
187.11160	5.5
189.04195	1.8
189.09117	4.2
189.11191	10.1
189.12695	2.7
191.10738	3.0
201.12634	4.4
205.12227	4.3
207.10155	2.7
215.17905	2.2
223.13246	28.9
225.16368	2.9
227.12714	8.1
233.15240	3.2
239.17928	3.5
243.17430	12.7
247.20609	2.8
257.18915	7.3
260.07358	1.7
261.18454	11.9
269.17343	2.5
271.16925	15.2
273.18311	5.1
275.20010	48.9
289.17941	58.1
290.18280	2.0
291.19424	7.6
293.21051	28.2
307.18997	3.4
345.20755	3.1
349.23709	30.3
363.21591	97.4
364.21930	2.4
367.24734	43.2
471.31802	1.8
473.28452	2.3
543.32922	1.9
557.34503	5.6
619.39490	6.5
627.42438	2.0
637.30615	3.4
637.40961	67.4
638.40924	2.9
655.41913	95.9
656.41895	5.0
789.08344	2.1
852.41925	9.7
884.11395	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	853.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.4
69.03421	14.3
69.07063	0.4
69.46741	0.6
70.06591	0.4
71.05006	0.2
81.03383	0.5
81.07028	0.5
83.04981	0.3
83.08587	0.3
85.02898	0.9
91.05443	0.3
93.07033	0.4
93.18663	0.2
95.04961	0.2
95.08583	0.4
97.02878	100.0
98.03202	0.9
98.23463	0.3
105.06986	0.2
107.08568	0.3
109.02853	0.6
112.07613	0.2
115.03954	0.3
116.10690	0.2
119.08488	0.3
121.10091	0.2
127.03890	0.5
133.10060	0.3
137.06023	0.2
137.13239	0.3
139.03879	30.0
140.04216	0.3
157.04941	12.6
177.05408	0.4
178.04944	0.2
199.06007	4.4
206.04471	0.4
259.08014	0.9
269.82452	0.2
269.86334	0.2
287.05444	4.7
288.05573	0.3
295.06189	0.2
315.08533	0.2
365.06302	0.4
431.31323	0.6
449.10632	0.3
457.32803	0.4
475.33807	0.7
675.00751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.4
69.03421	14.1
69.07066	0.3
79.05481	0.3
79.55540	0.2
81.03422	0.6
81.07038	0.5
83.04974	0.4
83.08587	0.5
85.02896	1.0
91.05462	0.3
93.07021	0.4
95.08596	0.2
97.02880	100.0
98.03226	0.9
105.07012	0.4
107.04921	0.2
107.08595	0.2
111.04443	0.3
115.03928	0.5
119.08530	0.3
121.02911	0.2
127.03872	0.3
139.03882	29.5
140.04201	0.2
141.41338	0.2
141.86903	0.2
147.11681	0.3
153.01839	0.2
157.04945	12.4
157.10168	0.2
193.12193	0.4
199.05991	4.3
199.07854	0.3
211.13301	0.4
259.08069	0.8
283.15359	0.3
285.16977	0.4
287.05438	3.5
294.12280	0.2
365.06464	0.3
455.79538	0.2
459.32458	0.2
493.27713	1.0
494.28009	0.6
607.25854	0.2
761.22363	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.6
65.03934	0.4
67.05496	9.9
69.03415	3.7
69.07056	1.9
70.05546	0.3
71.05000	0.8
73.02906	4.0
79.05487	4.3
81.03415	2.4
81.07040	6.2
82.07428	0.4
83.04977	0.9
83.08589	1.7
85.02889	6.2
85.06550	0.3
87.04465	0.6
87.43807	0.3
91.03944	3.9
91.05464	3.6
93.07020	3.8
94.07428	0.4
95.04950	1.8
95.08601	3.5
96.13022	0.4
97.02873	7.0
97.03464	0.4
97.06543	0.9
97.10166	0.8
99.04465	1.2
101.02370	2.5
105.07010	2.5
107.04964	1.0
107.08575	2.8
109.02896	1.1
109.06523	1.1
109.10139	6.1
109.10853	0.3
111.08073	1.1
115.03944	0.6
117.07032	1.3
119.08569	2.9
121.06516	0.7
121.10148	1.6
123.08150	0.5
123.11750	0.8
125.09674	0.8
127.03879	2.5
131.08609	1.2
133.10094	1.8
135.08099	0.7
135.11700	1.1
137.09676	0.6
139.94070	0.3
145.04984	0.6
145.10159	1.6
147.11736	1.0
147.54477	0.4
149.09633	1.0
149.13304	0.4
151.11183	0.6
155.10677	0.5
159.11668	0.7
161.09689	0.6
161.13286	0.4
163.11205	0.8
173.10393	0.4
173.11774	2.2
173.13158	0.4
185.04266	1.1
195.09955	0.8
201.03577	0.4
203.05267	0.7
203.83621	0.4
206.10913	0.4
217.56390	0.4
223.13383	0.9
229.14349	0.9
243.08322	2.2
248.85614	0.4
251.12535	0.6
253.14471	0.9
273.18610	0.9
275.20096	2.2
289.17917	0.7
290.18570	0.6
291.19516	2.6
292.19812	0.5
301.25894	0.4
313.21011	0.4
347.09344	2.8
349.23792	1.3
365.10583	1.0
365.23312	1.7
367.24866	1.1
386.19208	0.4
405.13644	6.2
405.18796	0.5
413.17783	9.6
519.29169	4.4
575.23010	9.6
638.41260	0.5
639.42719	1.0
642.95239	0.4
656.42596	0.9
657.43628	1.0
670.95300	0.4
681.34454	3.9
691.40070	1.8
853.45325	100.0
854.45630	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	853.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.8
61.03205	0.8
65.03929	0.5
67.05157	0.8
67.05499	10.4
69.03419	5.6
69.07066	1.9
69.78863	0.9
69.79214	0.9
71.01350	1.0
71.04990	1.1
73.02911	5.0
79.05483	7.3
81.03401	3.3
81.07047	9.6
81.07499	0.7
83.04964	1.6
83.08611	2.3
85.02894	9.0
85.03401	0.6
91.03940	5.5
91.05459	5.4
93.07030	5.5
95.04955	3.9
95.08599	4.9
97.02882	8.3
97.06535	0.7
97.10158	0.9
99.04459	1.8
100.71418	0.5
101.02345	2.6
103.03954	0.6
105.04559	0.5
105.06999	3.4
107.04959	1.7
107.08576	3.4
109.02886	1.9
109.06514	2.6
109.10130	5.6
109.10770	0.5
111.08093	0.6
115.03947	0.7
117.07038	1.6
117.58398	0.5
119.08575	3.4
121.06522	0.7
121.10130	2.0
123.08064	0.7
123.11661	0.4
125.09632	1.3
127.03883	3.1
129.07069	0.5
131.08600	1.8
133.10094	2.1
135.08080	1.5
135.11687	1.1
137.09642	0.9
137.85265	0.5
143.08568	0.6
145.04970	0.6
145.06432	0.5
145.10172	1.5
147.11674	1.0
149.09639	1.4
149.13309	0.8
155.08562	0.6
157.10045	0.5
159.11647	1.1
161.09605	1.1
161.13312	0.5
163.11221	1.4
171.11647	0.5
173.11760	0.8
183.04904	0.4
185.04288	0.7
195.09869	0.7
203.05302	1.0
223.13358	0.6
227.12816	0.7
229.14383	0.6
243.08321	2.6
253.14366	0.5
273.18655	0.7
275.20081	2.2
276.20300	0.7
286.47134	0.5
289.18063	1.1
290.18280	1.0
291.19601	2.0
293.21118	0.8
335.25833	0.9
347.09482	2.9
347.22379	0.7
349.23773	1.3
363.09302	0.7
363.21756	1.2
364.21994	1.2
365.10565	1.1
365.23251	0.9
367.24612	1.0
381.22504	0.5
405.13675	8.4
405.18842	0.8
413.17685	5.9
519.29187	6.4
520.29871	0.5
575.23041	4.3
637.41418	0.6
638.41541	1.9
639.42303	1.1
655.41797	0.7
656.42188	3.5
681.34528	8.4
682.35083	0.5
691.40173	1.8
704.42291	0.5
853.45331	100.0
854.45453	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	854.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.6
69.03426	1.8
69.17014	1.0
70.06595	0.3
71.04975	0.4
74.06057	0.4
75.04481	1.1
79.05482	0.5
81.03403	0.3
82.06596	0.3
84.04556	0.2
85.02876	1.2
86.00388	0.2
87.04472	0.2
91.05450	0.9
93.03384	0.3
93.07037	0.2
94.06564	1.3
95.04956	0.6
96.08101	0.5
97.02876	0.8
99.04423	0.3
99.82671	0.2
103.05515	0.2
105.07008	0.6
107.04931	0.3
107.07320	0.4
108.08120	1.3
109.02870	0.4
111.04424	3.3
112.07613	0.2
115.05428	0.5
117.06995	0.7
120.08071	0.6
121.02848	100.0
121.03872	4.3
122.03167	1.4
123.04408	0.3
124.07498	0.4
127.03899	0.9
128.06203	0.5
129.07004	0.9
131.07306	0.3
131.08601	0.2
132.08064	0.7
133.02832	0.4
133.06453	0.3
134.09639	0.4
137.02336	2.6
137.05872	0.3
138.09149	1.1
139.03893	0.6
141.07005	0.5
143.08534	0.2
144.08080	1.0
145.06499	0.5
145.08813	0.5
146.09616	1.1
147.04443	0.5
148.07562	0.4
149.05966	0.4
153.05536	0.3
153.06952	0.5
155.08575	0.4
158.09636	0.4
159.08064	0.5
159.10161	0.2
160.07567	1.8
161.05957	0.3
162.09166	0.5
163.03952	0.2
163.07515	0.4
164.10675	0.3
165.05482	0.3
165.06940	0.5
167.08566	0.5
169.06458	0.2
170.09641	0.9
171.08023	0.3
174.09200	0.3
175.07555	0.2
176.10689	0.4
177.05518	0.4
178.07790	0.9
178.12302	0.2
179.08469	1.3
181.10124	0.4
185.05939	0.3
186.09163	0.6
188.06958	0.2
188.10750	0.4
190.07687	0.4
191.08543	0.5
193.10147	0.7
194.07315	0.3
195.08005	0.5
197.09673	0.4
198.09135	0.4
199.07518	0.2
202.12260	0.2
203.08615	0.8
205.10136	0.8
206.07120	0.3
207.08047	1.3
208.08826	0.4
208.11316	0.2
209.09663	0.6
210.73837	0.3
211.07523	0.3
218.07156	0.2
219.08058	0.5
220.08969	0.3
221.09637	0.9
222.11252	0.9
224.10649	0.5
225.09160	0.4
227.10728	0.3
231.08041	0.8
231.10231	0.3
232.08926	0.3
232.11136	0.3
233.09642	0.9
235.07559	0.8
236.10727	0.5
237.09137	0.8
238.12337	0.2
239.10693	0.4
242.11328	0.2
247.07558	0.4
248.10730	0.4
249.09129	0.8
250.12357	0.8
251.10681	0.5
253.08569	0.4
255.10260	0.4
256.13306	0.4
261.08994	0.3
262.12457	0.3
263.10620	0.5
265.12451	0.4
266.11758	0.3
267.10162	0.8
268.13266	0.3
277.08652	0.6
278.11804	0.6
279.10092	0.4
281.11768	0.4
282.14758	0.4
292.13315	0.4
294.11328	0.3
294.14621	0.2
296.12704	0.4
298.14523	0.2
299.12775	0.3
302.11911	0.3
310.14374	0.5
320.12738	0.4
321.91165	0.2
324.15878	0.4
338.13788	0.3
342.16888	0.5
352.15555	0.4
356.18625	0.4
370.16498	0.5
374.19507	0.4
377.83932	0.2
384.17920	0.5
402.18881	0.5
410.38974	0.2
412.17755	0.5
415.53238	0.2
416.20712	0.5
434.22040	0.3
490.18381	0.5
494.22260	0.2
496.19418	0.3
504.19730	0.3
522.21155	2.1
540.22522	0.3
550.68512	0.2
554.16333	0.2
554.23596	1.2
572.24542	1.5
582.23431	0.3
614.25909	0.8
632.27191	0.6
656.26166	0.3
674.27869	0.3
684.26477	0.5
692.29071	0.5
716.28955	0.9
734.30127	0.9
776.30737	1.1
794.32007	2.7
854.34229	47.5
855.34637	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	9.8
64.49064	0.6
65.03920	1.9
67.05492	29.2
69.03101	0.8
69.03424	8.6
69.07057	7.6
70.06593	0.8
71.01352	0.8
71.04697	0.6
71.04990	6.9
73.02914	3.5
77.03863	0.8
79.05480	31.8
81.03403	93.2
81.07041	37.0
82.03732	0.8
82.07359	0.7
83.04967	21.2
83.08604	33.5
84.08949	0.8
85.02890	41.7
85.06529	1.6
87.04472	0.8
91.03947	7.0
91.05464	46.2
93.07025	19.6
95.04949	37.4
95.08590	11.9
96.92340	0.7
97.02881	12.2
97.06518	4.4
97.10139	5.7
99.04448	1.6
99.08096	1.9
100.43546	0.7
103.05379	0.7
105.04511	1.7
105.07013	25.7
107.04927	9.6
107.08575	10.2
109.02852	0.9
109.06494	5.8
109.10121	3.9
111.03761	0.7
111.04401	4.0
111.08061	13.3
113.05968	2.9
115.03887	0.7
115.05448	2.4
116.06258	0.8
117.07015	2.4
119.04925	2.8
119.08561	24.0
121.06474	2.6
121.10117	12.4
123.08028	3.7
123.11681	2.6
125.09618	2.6
127.03907	2.1
128.06218	0.8
129.06979	15.8
131.08546	16.0
133.06450	5.3
133.09163	1.0
133.10114	15.4
135.07997	0.8
137.09598	3.0
142.07797	4.0
145.04927	2.5
145.06435	0.8
145.09019	0.6
145.10121	2.8
147.04387	11.5
147.08008	5.1
147.11658	21.8
149.09589	8.8
155.08525	0.7
157.10095	20.1
158.10512	0.7
163.05966	2.5
163.11153	1.3
165.12730	3.8
175.11156	22.2
177.05518	0.8
183.13731	0.8
189.11261	0.8
193.12210	62.0
194.12631	1.2
208.23418	0.7
211.13252	97.6
212.13623	1.9
243.28508	0.7
245.00063	0.6
249.14777	1.4
267.15857	49.4
268.16055	1.4
285.16910	96.3
286.17197	2.6
299.05447	0.6
353.76752	0.7
364.97217	0.6
367.22537	3.6
385.23749	5.5
403.24680	1.3
433.25598	2.8
441.26428	1.6
446.21545	0.6
459.27356	36.9
460.27524	2.3
462.42209	0.8
471.22684	0.7
477.28409	39.2
478.28448	1.9
495.29431	100.0
496.29810	5.1
593.19995	0.7
621.32227	1.1
639.33160	2.6
692.31323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71937	0.5
62.02013	0.5
65.03904	1.1
69.03394	0.8
70.06540	1.7
71.44429	0.6
81.03376	1.0
84.08109	0.9
85.02855	1.3
89.03858	0.6
89.91013	0.5
91.05447	0.6
93.07024	0.6
94.06521	1.0
96.08069	1.0
97.02857	0.8
97.06467	1.1
108.08062	1.4
110.05993	1.2
110.09607	1.5
111.04391	0.5
112.07562	0.9
116.04921	1.5
120.04434	0.5
120.08067	1.3
121.02063	0.6
121.02856	8.0
121.03785	0.6
122.03165	2.2
122.06004	4.2
122.09614	0.6
122.32948	0.5
124.07545	1.7
126.72672	0.5
134.05969	0.6
136.07562	3.7
138.05450	0.7
138.09081	2.1
140.06987	1.0
144.04381	4.3
146.05977	1.4
148.07501	1.4
149.07021	0.7
150.05472	1.7
150.34932	0.5
152.07018	1.5
158.09570	1.2
160.07532	1.6
162.05460	2.2
166.08638	3.9
170.09627	0.8
172.03909	24.2
172.07327	0.7
172.11095	0.6
173.10724	0.5
174.09094	1.0
175.08630	0.7
175.12262	0.8
177.05365	0.7
186.09108	5.4
187.08681	1.5
188.07022	0.5
188.09331	1.2
188.31062	0.6
190.04976	2.7
196.07545	1.1
198.09183	1.0
200.10661	2.1
201.10075	1.2
202.08601	0.5
202.10957	2.9
203.11736	7.0
204.06531	35.0
205.06834	0.9
206.04514	0.6
212.07014	0.6
213.10173	2.3
214.08606	10.6
214.10574	0.6
215.08089	6.6
217.09845	1.0
218.10503	0.7
227.11679	1.0
228.10173	4.8
229.09622	1.8
230.10472	1.6
231.11298	6.6
241.09755	2.7
242.08047	2.2
243.11290	0.8
245.09239	0.9
245.12749	0.5
247.10786	1.8
255.11244	5.4
256.09674	2.9
257.09213	1.1
257.12759	1.2
259.10739	74.6
260.11063	2.0
271.10861	0.9
273.12320	5.1
283.10840	3.1
285.12189	0.8
301.11777	58.6
302.12152	1.8
303.13400	1.3
319.12833	100.0
320.13132	2.9
325.11722	3.4
329.14835	0.9
335.12241	0.6
337.13879	42.7
338.14102	1.2
343.12994	0.6
357.10345	1.0
357.14410	11.5
358.14938	1.4
392.03677	0.5
439.70206	0.6
487.17099	2.5
519.19684	1.7
604.63910	0.5
625.22760	1.2
741.71313	0.7
854.35944	1.2
855.36835	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	855.327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99428	0.3
65.03911	0.5
69.03390	0.7
69.37595	0.3
70.77161	0.6
79.05476	0.4
81.03384	0.4
85.02856	1.2
89.03899	0.5
91.05444	0.6
94.06528	1.4
96.08089	1.4
97.02855	0.6
97.06503	0.9
100.03974	0.4
106.06514	0.5
108.04430	0.8
108.08091	1.8
109.02814	0.5
109.30067	0.3
110.06004	1.3
110.09637	1.8
116.04963	1.7
118.81390	0.3
120.08115	1.7
121.02850	6.0
122.03150	1.5
122.06007	3.9
124.07593	1.9
134.05998	0.4
136.07568	3.1
137.02255	0.4
138.09123	2.0
144.04442	3.2
146.05963	1.0
148.03825	0.3
148.07504	1.1
149.07074	0.6
150.05473	1.9
150.09081	0.8
152.07059	2.4
158.09584	1.1
160.03944	0.5
160.07527	1.3
160.09932	0.6
161.05829	0.3
162.05467	1.8
166.08640	3.7
170.09613	0.7
172.03912	21.6
173.04289	0.5
174.05466	0.4
174.09106	0.4
175.08638	0.5
175.12207	0.7
176.07001	0.6
185.08293	0.4
186.09123	4.7
187.08629	0.9
188.07050	0.5
188.09343	0.9
189.10130	0.3
190.04982	4.5
196.07516	1.0
198.09196	0.8
200.10680	1.3
201.10138	0.9
202.08589	0.5
202.10953	2.5
203.02875	0.3
203.11771	5.7
204.06537	35.7
205.06932	0.8
213.10150	2.2
214.08600	9.6
215.08134	4.1
216.08777	0.7
217.09738	0.8
224.07004	0.4
227.08014	0.5
227.11752	1.4
228.10204	4.7
229.09628	1.6
230.10474	1.4
231.11253	5.8
238.08511	0.4
239.01653	0.4
240.08781	0.6
241.09769	2.2
242.08115	1.9
243.11368	0.4
245.09174	1.3
245.12880	0.9
246.09897	0.6
247.10735	1.8
255.11261	5.7
256.09601	3.0
257.09247	0.8
257.12784	1.6
258.09915	0.7
259.10742	82.6
260.11203	2.5
271.10724	0.5
273.12299	7.0
275.10583	0.4
279.11261	0.8
283.10703	3.4
284.09076	0.5
287.10300	0.6
297.12396	1.2
301.11783	69.3
302.12372	2.2
307.10605	0.5
319.12839	100.0
320.13120	3.9
325.11804	5.1
335.12354	1.1
337.13892	41.7
338.14212	1.4
339.13449	0.6
343.12933	0.5
348.16656	0.4
357.14404	9.8
359.16013	0.5
406.93497	0.4
486.16214	0.5
487.17206	2.3
487.23145	0.4
504.17590	0.6
519.19495	0.5
657.25305	1.0
661.25598	0.6
675.26544	4.0
676.26404	0.5
837.31317	1.5
855.34631	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	856.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.2
65.03940	3.3
67.05150	2.7
67.05492	37.4
69.03415	5.2
69.07055	57.0
70.06573	1.9
71.04984	6.7
71.44163	1.7
73.02867	1.6
73.06531	1.6
77.03905	2.6
79.05479	66.0
81.03406	24.2
81.07041	64.4
83.04978	10.8
83.08617	12.7
85.02889	7.1
91.03933	2.4
91.05463	57.6
93.07030	40.5
95.04959	22.6
95.08588	18.2
96.08096	1.7
97.02870	6.6
97.06506	15.7
97.10153	14.1
99.00838	3.0
99.04449	2.0
99.08060	3.6
103.05453	3.2
105.04516	2.6
105.07016	31.1
105.07713	1.7
107.04945	20.0
107.08575	35.5
109.02869	7.9
109.06490	12.6
109.10146	8.7
111.04443	7.4
111.08074	4.6
115.05467	5.2
117.07000	21.9
119.04942	3.1
119.08555	35.0
121.02826	2.0
121.06490	12.0
121.10143	9.1
123.04411	5.4
123.08039	9.2
125.05984	7.9
125.09618	13.4
127.03900	1.6
129.06975	8.8
131.04938	1.8
131.08557	17.2
133.06473	13.7
133.10115	16.5
135.04414	3.7
135.08034	45.5
135.09058	2.7
135.11658	3.9
137.09601	12.1
139.07527	2.9
141.06987	3.1
143.07007	6.3
143.08536	5.2
145.06435	9.0
145.10106	13.7
147.08023	14.0
147.11655	5.5
149.05875	1.4
149.09663	9.4
151.07520	6.2
151.11174	3.7
153.09055	7.3
153.12706	3.4
155.08563	5.2
157.10138	4.4
159.08031	11.9
159.11691	5.7
161.08295	2.2
161.09587	12.7
161.13252	5.6
163.07524	19.6
163.11118	3.4
165.09122	11.0
169.10040	3.4
171.07939	1.6
171.10220	2.2
171.11617	3.5
173.09624	6.0
173.13252	4.6
175.07451	1.5
175.11232	2.2
177.09094	3.2
177.12845	1.7
179.10603	2.2
181.08571	5.9
181.12291	1.7
183.11624	3.0
187.11160	1.9
187.14830	5.4
189.09218	2.0
189.11191	4.0
189.12660	2.9
191.10602	3.3
193.08571	2.4
193.12210	22.7
197.13255	4.0
199.09618	3.5
205.12001	1.8
209.08020	1.8
211.13370	3.0
215.14270	24.1
221.11577	1.9
225.10966	1.4
227.12787	5.4
233.15268	8.1
235.13362	2.1
239.12788	2.4
243.13773	12.0
243.17509	3.4
261.14810	15.1
261.18506	3.2
267.15881	4.5
269.18170	1.4
271.16888	6.1
279.15903	4.6
283.15335	2.2
289.17932	30.4
307.18958	9.4
317.17435	2.1
335.18527	11.5
353.19525	100.0
363.21613	17.0
381.22641	90.5
382.22968	2.0
436.61563	1.8
449.25171	2.0
471.27347	1.8
486.70334	1.4
523.28833	1.8
543.29303	1.5
545.30792	1.9
555.32990	4.7
567.32959	2.3
573.31671	1.5
600.47241	1.6
623.35107	4.1
641.36664	23.6
642.36920	1.6
659.37781	96.4
660.37933	6.1
742.45410	1.5
810.02295	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.5
65.03920	4.2
67.05495	52.6
67.05861	2.5
69.03423	2.5
69.07058	23.0
71.04976	3.2
73.02915	0.9
73.06613	0.9
79.05479	47.7
79.32087	1.0
81.03394	6.3
81.07043	89.8
82.07359	1.1
83.04976	8.5
83.08111	1.8
83.08602	29.2
85.02871	2.2
85.06528	2.1
85.18511	1.1
91.05465	45.1
93.07031	42.0
93.07497	0.7
95.01345	1.5
95.04952	21.2
95.05525	2.0
95.08595	35.1
96.89022	1.0
97.02864	2.6
97.06504	12.3
97.10149	4.3
99.08069	2.1
103.05445	1.1
105.04506	2.3
105.07014	43.1
107.04937	15.9
107.08576	26.2
109.06504	24.9
109.07214	1.9
109.10133	15.6
111.04420	1.7
111.08054	6.2
113.05964	1.0
115.05416	1.7
117.06997	12.6
119.08562	34.9
121.06487	7.5
121.10122	19.1
123.08041	10.0
123.11697	5.2
125.09625	3.3
127.07550	1.3
129.06984	7.2
131.08546	19.9
133.06474	3.5
133.10103	26.9
135.08035	10.2
135.11682	11.1
137.09586	5.2
139.11125	1.3
141.06947	2.3
143.08548	5.8
145.06461	2.3
145.10101	21.3
147.08047	4.1
147.11653	20.8
149.09596	17.6
149.13243	6.7
151.07578	1.4
151.11147	4.9
155.08517	3.1
157.10110	5.3
159.08076	1.6
159.11674	13.1
161.09615	3.6
161.13173	5.6
163.11157	20.1
163.14771	2.8
165.12727	6.8
169.10107	3.7
171.11678	6.0
173.09621	2.0
173.13184	7.0
175.11159	4.4
175.14897	1.7
177.12711	4.4
179.10583	1.5
179.14265	1.2
183.11696	3.1
185.13219	2.3
187.11212	2.7
187.14708	1.7
189.11217	1.9
189.12741	1.4
191.10635	1.4
191.14426	1.3
193.12196	2.4
193.16057	1.2
197.13228	3.1
199.14671	1.5
201.12723	2.3
205.12154	2.6
213.16338	1.2
215.14343	2.2
215.17877	1.2
223.13229	2.8
229.19391	4.8
231.17368	1.0
233.18993	1.2
239.18011	6.7
247.20541	4.9
257.19016	9.6
261.15067	1.0
267.15775	1.1
275.20023	100.0
276.20294	3.8
277.21585	1.2
291.19485	2.0
293.21051	19.9
335.18503	2.3
349.23682	98.3
350.23996	2.3
363.21390	2.0
367.24728	99.3
368.25281	3.3
399.19455	1.7
547.25446	1.2
549.39410	1.6
567.40338	2.0
623.42944	41.5
641.44000	63.5
642.43848	2.6
659.33307	5.4
659.44891	51.2
660.45135	2.2
856.45367	2.0
857.46747	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.3
65.03935	4.9
67.05495	63.3
69.03423	4.6
69.07059	32.6
69.70918	2.8
71.04972	6.7
73.02900	1.6
77.03913	1.6
79.05480	73.6
80.05831	1.3
81.03403	12.3
81.07045	73.8
82.84090	1.1
83.04964	21.9
83.08607	57.5
85.02883	8.4
85.06536	3.7
91.05465	64.0
93.07030	72.1
95.01337	1.8
95.04953	99.5
95.08591	45.6
97.02892	1.6
97.06518	12.4
97.10150	23.0
99.04446	8.4
99.08090	3.6
103.05470	2.3
105.04491	3.4
105.07014	62.6
107.04943	26.4
107.08575	59.1
109.06503	15.7
109.10127	22.6
111.04428	20.6
111.08079	12.1
113.09692	1.4
115.05426	3.2
116.06225	1.6
117.06994	22.7
119.06004	1.1
119.08554	53.7
121.06482	10.3
121.10127	33.6
121.10973	2.1
123.04439	1.6
123.08040	16.2
123.11682	5.3
125.05977	2.1
125.09595	20.0
128.06216	2.5
129.05473	1.4
129.06985	10.8
130.07747	1.9
131.07544	1.0
131.08548	31.0
133.06493	3.3
133.10112	35.7
135.08043	12.6
135.11673	21.9
137.05968	1.0
137.09578	7.3
139.11176	4.8
141.06970	4.0
141.09154	1.3
142.07751	1.6
143.08537	9.4
143.10677	1.4
145.06485	3.4
145.10104	45.6
147.08015	10.9
147.11652	22.2
147.12701	1.8
149.09592	43.5
149.13248	4.0
151.11168	3.8
153.09084	3.0
153.12669	5.6
155.08556	4.8
157.10083	8.2
159.08081	1.8
159.11674	19.8
161.09581	6.4
161.13220	9.4
163.11153	54.0
165.09085	2.0
165.12732	8.4
167.08488	1.3
169.10118	7.1
171.10283	2.4
171.11702	6.3
173.09612	2.8
173.11914	1.9
173.13237	8.7
175.11180	4.1
175.14845	3.5
177.12704	7.1
181.09966	1.2
181.12244	4.2
183.11685	5.6
185.13257	4.3
187.11214	4.5
187.14824	2.4
189.11211	16.1
189.12746	2.2
191.10681	4.6
191.14212	1.1
193.12262	2.9
195.11761	2.1
195.13756	1.6
197.13287	4.2
199.14764	2.6
201.12637	1.3
201.16438	1.2
205.12199	7.6
211.13135	1.8
211.14880	1.2
213.16397	3.0
215.14349	1.3
215.17926	2.5
223.13240	54.3
227.12695	8.3
229.19547	3.8
231.17281	1.2
233.15402	1.2
239.17961	7.5
241.19527	3.8
247.20589	3.1
257.18982	15.1
259.20480	9.9
269.17520	2.1
273.18512	5.2
275.20016	100.0
276.20511	1.6
283.15088	1.6
288.40588	1.2
291.19473	11.4
293.21057	60.2
306.13660	1.1
309.20532	2.0
310.33783	1.1
313.21637	1.2
315.23190	1.7
331.22571	3.0
333.24188	14.2
349.23685	65.5
350.24042	1.5
358.46161	1.1
365.23221	6.3
367.24734	93.9
368.24979	2.9
381.27637	1.2
383.24393	5.3
401.28885	1.1
513.35602	2.3
515.36157	1.4
529.34753	1.6
531.38123	1.5
533.33990	1.4
543.36438	4.2
549.39124	2.3
567.40021	1.6
571.35626	1.2
575.06061	1.3
605.41772	2.6
623.42969	34.3
624.42651	1.8
641.44031	56.4
642.43970	3.9
659.45001	49.2
660.45172	4.0
856.44843	3.5
857.46771	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.5
65.03915	3.7
67.05495	54.6
69.03418	3.7
69.06705	2.1
69.07058	29.8
71.04977	6.1
77.03920	1.4
78.35379	1.0
79.05481	52.2
81.03403	8.8
81.07045	100.0
83.04964	12.5
83.08610	35.1
85.02892	5.4
85.06521	4.6
87.81210	1.2
91.05470	47.5
93.07033	44.6
95.01270	1.2
95.04953	57.1
95.08588	38.0
97.02883	1.8
97.06516	13.2
97.10151	10.8
99.04425	3.5
99.08054	4.0
105.04501	1.8
105.06339	2.6
105.07016	47.9
107.04945	17.2
107.08578	37.6
109.06511	25.4
109.10146	14.7
111.04437	8.9
111.08052	7.9
115.05392	1.6
117.06989	17.1
119.08559	41.3
121.06513	8.8
121.10128	25.3
123.08074	10.0
123.11720	7.0
125.09615	8.2
129.06964	6.8
130.07741	1.7
131.08548	20.4
133.06487	1.7
133.10109	26.0
135.08026	8.1
135.11665	13.3
137.09557	5.7
139.11140	1.6
141.06952	1.8
142.07693	1.5
143.08495	5.7
145.10095	24.5
147.08012	3.5
147.11664	25.3
147.12834	1.8
149.09599	24.8
149.13272	7.2
151.11179	4.7
153.12698	1.8
155.08522	3.7
157.10104	7.1
159.11659	14.5
161.09607	2.8
161.13234	6.4
163.11159	24.0
163.14742	2.1
165.12730	5.6
169.10048	4.0
171.10315	1.2
171.11682	4.0
173.09593	2.0
173.11789	1.2
173.13243	4.9
175.11205	4.6
175.14809	1.3
177.12717	4.4
179.14352	1.6
179.93301	1.1
183.11659	3.1
185.13258	2.7
187.11163	3.7
187.14862	2.0
189.11253	6.7
191.10625	1.6
191.14279	1.9
193.12155	2.4
197.13168	2.8
201.12653	1.8
205.12215	3.5
223.13252	19.2
227.12766	1.9
229.19489	5.0
239.17841	3.7
243.97128	1.4
247.20447	4.9
257.18961	10.1
267.15747	1.7
269.17377	2.6
275.20032	88.8
276.20511	1.5
293.21057	31.8
311.21875	1.6
349.23672	55.0
350.24048	1.6
367.24744	84.5
368.24994	4.2
399.24503	1.1
543.36902	2.8
623.42908	26.1
641.44061	41.9
642.43909	2.3
659.45074	45.6
660.44867	3.6
749.00433	1.2
809.24371	1.3
857.46466	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	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25109	1.4
65.03931	3.4
67.05495	56.0
69.03413	4.0
69.07059	24.9
69.35294	6.5
71.04977	4.9
79.05478	50.0
79.45621	1.4
81.03406	11.7
81.07045	72.8
83.04967	15.9
83.08605	46.6
85.02879	4.1
85.06519	3.4
85.61427	1.6
86.50761	1.3
91.05464	51.6
93.06434	2.9
93.07028	56.0
95.01308	1.9
95.04955	58.9
95.08598	36.3
97.02888	2.8
97.06513	8.7
97.10143	9.8
99.04442	3.6
99.08073	3.7
103.05457	1.9
105.04442	2.0
105.06336	2.9
105.07014	45.2
107.04942	18.6
107.08576	41.7
109.02866	1.7
109.06506	13.6
109.10123	17.0
111.04429	8.4
111.08057	10.4
115.05451	3.6
117.07008	18.4
119.08568	40.1
121.06505	10.7
121.10118	26.3
123.08036	10.2
123.11678	4.9
125.09613	8.0
129.06989	6.4
130.07759	1.9
131.08546	27.0
133.06491	1.8
133.10115	29.8
135.07986	9.1
135.11662	12.8
137.09599	6.2
139.11223	1.8
141.06987	2.2
142.07755	1.5
143.08534	4.9
145.06487	4.4
145.10094	25.7
147.08000	6.7
147.11662	19.3
149.09599	33.5
149.13232	6.5
151.11162	6.4
153.12697	2.5
155.08508	4.0
157.10136	6.5
159.08121	2.0
159.11635	14.8
161.09622	2.5
161.13248	5.7
163.11150	38.8
163.14732	2.4
165.12782	5.2
169.10117	4.1
171.11649	5.6
173.09628	3.4
173.13258	6.5
175.11183	4.9
175.14819	1.7
177.12769	4.9
179.14285	2.3
181.12198	2.7
183.11716	3.8
185.13202	2.0
187.11180	5.0
187.14801	3.5
189.11162	7.3
189.12668	2.2
191.14299	2.4
193.12192	2.1
197.13254	4.0
201.12689	2.0
205.12271	4.5
223.13249	27.5
223.15286	2.6
227.12703	3.2
229.19446	5.0
233.15240	1.5
239.17912	6.6
239.73029	1.4
247.20587	5.3
257.19006	15.3
258.25037	1.5
269.17487	6.5
273.18674	3.0
275.20016	100.0
276.20410	4.1
293.21069	37.0
294.21454	1.7
297.17087	1.7
311.22205	1.6
331.22696	2.9
335.92538	1.6
349.08612	1.5
349.23672	80.4
350.23892	4.2
351.25183	2.0
360.18118	1.5
367.24741	83.0
368.25214	2.2
392.60556	1.5
459.31406	1.9
543.36176	7.9
561.37604	4.0
623.42865	24.6
624.43304	1.8
641.43921	50.3
642.44501	2.9
659.45154	34.4
660.45276	3.5
856.44586	3.1
857.46594	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	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.3
65.03928	5.6
67.05494	97.4
69.03413	7.7
69.06702	3.0
69.07057	41.3
71.01328	3.6
71.04984	7.5
73.02910	2.5
75.10602	1.7
79.05483	66.8
81.03408	11.8
81.07043	100.0
81.99734	1.5
83.04967	13.5
83.08607	14.4
85.02885	3.9
85.06528	3.5
91.05464	48.3
93.07028	70.0
95.04961	22.4
95.08590	52.7
95.09203	2.5
96.08917	1.8
97.02864	10.1
97.06522	18.3
97.10155	12.9
99.03232	1.6
99.04444	2.8
99.08081	3.6
103.05442	3.1
105.04520	3.3
105.07007	33.6
107.04941	9.6
107.08568	36.6
107.09232	1.4
109.02857	3.3
109.06509	14.3
109.10136	29.7
111.04423	3.7
111.08064	7.5
113.05939	1.7
116.04696	3.3
117.06988	15.7
119.08554	27.0
121.06471	8.0
121.10125	29.0
123.04391	5.0
123.08050	7.6
123.11671	6.5
125.09593	9.4
129.05476	10.8
129.07004	3.9
131.08531	18.9
133.06482	3.6
133.10106	22.6
135.08028	11.5
135.11687	15.8
137.05989	2.0
137.09595	14.1
139.07542	2.5
139.11162	3.1
141.07010	2.3
143.06998	3.8
143.08534	6.0
145.06468	2.5
145.10088	13.2
147.08055	5.9
147.11650	11.1
149.09627	7.4
149.13248	7.3
151.11145	2.9
153.09103	4.8
157.08572	5.6
157.10114	5.5
159.08067	3.0
159.11684	6.8
161.09593	6.2
161.13226	5.6
163.11147	7.3
165.09085	2.7
165.12718	1.9
167.10641	1.9
169.10013	1.7
171.10210	3.1
171.11664	3.1
173.09599	3.5
173.11722	4.6
173.13243	5.4
175.11127	3.1
177.12724	2.4
187.14812	3.4
189.09213	1.7
189.11221	4.7
191.10596	2.2
191.14442	1.6
193.12201	38.4
209.11649	2.9
219.09917	1.9
221.11771	3.4
227.12747	4.1
229.14319	12.0
243.21144	2.1
245.19186	1.9
261.18454	3.3
261.22180	11.1
271.16968	3.7
273.18536	8.1
275.19992	2.4
280.93741	1.6
289.17850	19.2
291.19537	7.5
307.18863	7.9
313.16299	2.0
317.24716	2.8
325.20010	2.5
335.25735	75.6
336.25955	4.2
347.22028	3.4
363.21597	7.4
365.23315	9.8
381.22574	8.1
399.23685	40.1
489.35547	5.9
495.97522	1.7
623.43170	8.1
625.44611	9.6
641.43610	6.1
659.44965	45.7
660.45447	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	856.54
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.1
65.03938	2.4
67.05492	38.2
69.03423	2.6
69.07056	22.1
69.75975	3.4
71.04980	3.3
77.45029	1.0
79.05479	35.0
81.03414	4.4
81.07041	100.0
82.07362	1.8
83.04967	7.7
83.08606	14.8
85.02892	1.2
85.06532	3.7
91.05460	30.7
93.07027	30.0
93.07598	1.9
93.46482	1.0
95.04955	12.6
95.08587	27.2
97.02885	1.7
97.06500	9.7
97.10147	2.0
99.08085	3.4
103.05512	1.2
105.04494	1.6
105.07010	35.9
107.04932	9.6
107.08567	18.9
109.06495	27.6
109.10142	11.3
110.06885	1.0
111.08092	5.3
111.08752	0.9
117.06988	9.3
119.08556	27.6
121.06496	4.4
121.10125	14.4
123.08042	9.0
123.11691	8.4
125.09621	1.8
126.53764	0.9
129.06943	4.6
131.08542	13.9
133.06535	1.8
133.10092	18.7
135.08063	4.2
135.11662	7.3
137.09576	5.4
139.11192	1.0
140.96330	0.9
141.06995	1.1
142.11151	1.0
142.43172	1.0
143.08513	2.4
145.10101	12.8
147.08055	1.8
147.11658	18.8
149.09575	10.1
149.13235	8.6
151.11172	2.8
155.08549	1.2
157.10127	3.7
159.11661	9.2
161.09569	1.6
161.13240	3.3
163.11151	8.3
163.14799	2.6
165.12715	5.6
169.10117	1.6
171.11707	2.6
173.09650	1.6
173.13200	5.2
175.11157	3.8
177.12762	3.5
179.14330	2.3
183.11626	1.7
187.11212	1.3
187.14769	2.1
189.12746	1.6
193.12276	2.3
197.13213	2.1
201.12799	1.1
207.13808	2.1
215.17871	1.6
219.13692	1.4
219.17570	1.2
229.14165	1.3
229.19496	2.8
239.17946	3.0
247.20502	5.4
257.18921	6.0
267.16058	1.9
275.20007	71.9
276.20490	2.1
282.48505	1.1
291.19348	1.1
293.21027	16.3
331.22647	1.5
338.65701	0.9
349.23672	58.3
350.24097	2.1
367.24722	80.7
368.25153	3.9
378.24200	1.0
543.37274	1.2
567.39972	1.3
623.42944	38.1
624.43396	3.5
641.43921	45.4
642.44196	3.4
659.45081	43.8
660.44977	3.4
722.02948	1.1
857.46088	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	856.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	3.0
66.14304	2.7
67.05498	83.9
69.07057	28.3
70.62425	5.5
71.04979	8.7
79.05486	53.4
81.03415	8.3
81.07047	68.6
83.04977	5.9
83.08606	12.1
85.06512	4.0
91.05459	36.5
93.07032	64.5
93.07597	4.1
95.04972	11.2
95.08601	40.3
97.02855	4.1
97.06516	11.8
97.10107	3.3
105.04476	4.0
105.07029	25.6
107.04950	3.4
107.08577	30.2
109.06498	8.6
109.10158	29.8
111.08081	3.7
114.15813	2.6
117.06975	13.8
119.08578	19.9
120.52956	2.4
121.10104	19.0
123.08044	5.0
123.11664	7.3
125.09658	3.1
127.03841	2.7
129.06998	5.2
131.08586	17.5
133.10130	14.3
135.08072	3.4
135.11681	11.2
137.09602	2.7
143.08537	5.1
143.68759	2.6
145.10130	13.6
147.11607	7.1
149.09612	5.1
149.13242	9.7
157.10092	4.5
159.11696	9.1
163.11195	3.2
173.11842	5.1
173.13258	8.3
177.12724	4.1
184.11208	2.9
193.12270	3.7
195.13872	3.7
229.14326	37.6
243.21069	4.0
244.05768	2.6
247.20705	3.0
257.18863	4.6
261.22165	14.9
269.17334	8.6
274.73590	2.8
275.20041	24.9
288.72186	2.6
289.17780	3.3
317.24585	4.5
332.26083	2.8
333.24438	2.9
335.25772	100.0
336.26111	7.6
349.23602	14.6
381.26691	3.4
413.21622	8.2
489.35745	25.9
507.36917	3.7
525.55267	3.5
529.38806	90.6
530.39508	4.2
569.41266	6.3
609.44989	35.1
610.45172	4.2
627.45544	5.0
641.47778	15.7
673.42816	8.9
705.25409	3.1
857.47491	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	856.5763
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03906	2.6
67.05496	71.8
68.05820	1.7
69.03420	3.3
69.07059	18.0
69.70697	3.5
69.71087	2.6
71.04982	9.2
77.61714	1.4
79.05479	49.2
81.03388	4.6
81.07044	64.3
82.05424	1.4
83.04962	5.4
83.08609	12.9
85.02919	1.8
85.06543	3.7
91.04931	2.6
91.05468	36.3
93.07030	54.0
95.04956	8.7
95.08591	45.8
95.09211	2.3
97.06511	5.9
97.10140	3.5
98.22683	2.9
99.08117	2.1
105.04521	2.4
105.07008	27.0
107.04939	2.8
107.08578	33.0
109.06527	4.4
109.10131	34.6
111.08072	5.0
113.09607	1.6
117.06998	12.9
119.08570	22.5
121.06471	3.4
121.10130	25.0
123.08034	3.0
123.11685	5.6
125.09657	2.7
129.06987	4.5
129.32361	1.8
131.08553	16.8
133.10104	16.9
135.08086	3.1
135.11671	13.1
137.09706	2.9
143.08539	2.8
145.10100	12.5
147.11659	10.5
149.09584	4.9
149.13258	9.8
155.08543	2.0
155.10672	2.7
157.10136	4.8
159.11647	12.0
161.13206	4.7
163.11134	1.7
163.14838	1.8
165.12738	2.9
171.11635	3.4
173.11806	3.6
173.13261	7.9
175.11134	1.6
175.14914	2.0
177.12697	2.6
183.11726	1.9
185.13235	2.6
186.24174	1.9
187.14835	1.9
189.11256	2.0
189.12880	1.5
189.16315	1.4
193.12222	1.7
195.13828	4.2
199.14926	1.7
201.16458	1.6
227.12761	5.7
229.14299	28.6
243.21071	4.9
247.20558	2.0
257.18985	6.5
259.20563	2.4
259.43359	1.5
261.22070	13.1
267.15942	3.0
269.17404	23.2
275.19998	23.7
276.20258	1.5
291.19839	2.4
291.23291	1.8
293.21097	2.9
309.20544	1.8
331.22644	3.3
333.24350	3.5
335.25757	100.0
336.26199	2.0
349.23688	20.8
381.26437	2.9
437.33762	3.0
453.24710	3.6
489.35568	20.0
507.36572	3.5
529.38788	83.9
530.39020	4.6
555.40393	1.7
569.41888	34.2
609.45001	33.0
610.44806	2.9
627.45490	5.4
641.47742	11.0
673.42676	3.4
713.46826	2.7
716.00092	1.7
754.29956	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.9
64.66140	0.3
67.05510	2.3
69.03419	4.8
69.07079	1.2
70.06579	0.6
71.01353	0.7
71.04974	0.8
71.44656	0.5
73.02910	4.5
79.05482	2.8
81.03410	5.2
81.03837	0.5
81.07056	2.5
83.01343	0.4
83.04979	1.1
83.08629	1.3
85.02891	9.5
85.06552	0.5
87.04486	0.6
90.75819	0.4
91.03946	5.0
91.04401	0.4
91.05462	3.5
91.98566	0.4
93.07023	2.6
95.04980	1.9
95.08620	1.4
97.02885	8.1
97.03474	0.6
97.06536	0.5
99.04458	1.4
101.02390	1.9
105.07004	2.2
107.04964	0.7
107.08613	1.3
109.02901	1.8
109.06527	0.8
109.10160	0.9
111.04461	0.5
111.08065	0.5
115.03915	0.8
119.08601	1.8
121.10155	0.9
127.03922	2.5
129.06989	1.0
131.08569	0.5
133.06485	0.5
133.10176	0.9
135.11691	1.1
138.02510	0.4
141.63037	0.4
145.05028	0.7
145.10165	1.3
147.07982	0.5
147.11690	0.8
149.09631	0.6
157.10155	0.9
163.11224	1.7
169.51651	0.4
173.34256	0.4
175.11235	0.9
185.04195	1.0
193.12273	1.4
201.03844	0.5
203.05249	0.9
211.13281	0.8
243.08400	2.3
251.12549	1.1
283.15460	0.8
305.96967	0.4
347.09439	3.2
363.09070	0.9
365.10684	0.9
365.25772	0.4
405.13617	6.4
448.28513	0.6
467.18927	6.8
469.20419	7.5
557.06970	0.5
629.24042	5.3
631.25787	6.6
695.32141	2.8
696.43036	0.6
709.49939	0.5
857.37598	100.0
858.37494	7.0
858.50574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4648
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02937	2.8
67.05495	8.2
67.05817	1.4
69.03429	2.8
69.07048	6.4
70.88969	1.1
71.04988	1.3
71.44158	1.2
73.02906	2.7
75.36652	1.2
79.05474	14.2
79.05870	1.2
81.03400	5.5
81.07043	17.6
83.04988	3.7
83.08627	3.7
85.02910	5.0
91.03934	1.4
91.05464	7.8
93.07031	6.4
95.04946	6.4
95.08608	5.0
97.02905	3.8
97.06532	2.3
97.10128	1.6
99.08074	1.3
105.07031	6.7
107.04958	3.3
107.08606	5.2
109.06483	8.0
109.10185	3.3
110.51520	1.1
111.04449	3.8
111.08102	1.9
117.07053	3.5
119.08611	5.1
121.06514	2.0
121.10158	3.3
123.08126	3.0
125.09662	1.7
127.03889	1.6
129.05495	1.2
129.07062	2.1
131.08629	3.7
132.46078	1.2
133.06500	1.9
133.10178	2.1
135.08090	4.8
135.11719	2.1
137.09662	2.3
143.08650	1.8
145.10181	4.7
147.08078	1.8
149.09702	3.5
157.10167	1.6
161.09607	1.4
163.11230	4.2
165.09117	1.5
171.11679	1.4
173.13300	1.2
189.11208	1.5
238.63235	1.1
243.08484	2.5
247.16982	2.7
273.18533	2.5
275.20178	1.9
289.17960	1.9
291.19702	3.9
321.20456	2.3
331.18933	4.5
357.50473	1.3
365.23285	2.2
387.21487	2.2
540.98779	1.5
549.26581	14.9
549.33203	1.2
611.39703	1.9
857.46521	100.0
858.47351	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	858.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43564	1.7
62.75024	1.7
65.03925	3.0
67.05495	47.6
69.03431	8.9
69.07059	45.5
71.04992	2.8
73.02905	1.9
73.06529	1.9
77.03931	1.6
79.05482	72.3
81.03406	15.2
81.07047	100.0
83.04970	16.7
83.08603	15.9
85.02901	7.1
85.06537	1.6
91.05474	55.9
93.07036	43.0
95.04950	26.9
95.08597	24.4
97.02900	2.9
97.06525	15.5
97.10149	18.8
98.22678	5.8
99.04405	1.9
99.08090	4.3
103.05476	1.9
105.04496	3.8
105.07021	37.9
105.07714	2.1
107.04947	20.9
107.08585	43.5
109.02900	2.6
109.06509	15.1
109.10130	14.5
111.04422	13.3
111.08075	7.0
113.05941	2.5
115.05446	6.0
117.07010	28.4
119.04939	2.3
119.08571	39.9
119.33163	1.7
121.06506	13.7
121.10103	15.4
123.04453	2.3
123.08054	28.1
125.05978	4.1
125.09634	24.1
128.06158	1.9
129.06987	15.7
130.07782	2.1
131.04947	1.9
131.08545	24.5
133.06485	14.4
133.10123	15.2
135.08037	34.1
135.11685	10.4
137.09610	13.6
139.07545	2.3
139.11234	2.6
141.06976	4.0
142.07791	2.5
143.07019	6.5
143.08598	8.4
145.06500	9.3
145.10109	24.7
147.08043	18.0
147.11665	7.2
149.09595	11.2
149.13275	2.0
151.07544	8.3
153.09050	6.9
153.12738	3.7
155.08546	5.5
157.10126	7.5
159.08020	8.5
159.11684	7.4
161.09607	13.1
161.13235	6.6
163.07579	9.1
163.11182	14.6
165.09079	11.9
168.10594	1.8
169.10152	3.0
171.10254	3.2
171.11703	6.3
173.09637	8.1
173.13280	4.4
175.11197	6.2
177.09151	1.9
177.12759	3.3
181.10068	1.8
181.12215	5.6
185.09639	2.0
185.13152	2.3
187.11166	4.1
187.14810	7.5
189.11191	14.8
189.12762	4.4
191.10651	6.3
193.08577	2.3
193.12144	4.0
195.11723	2.2
197.13301	4.0
199.09637	4.5
199.11316	2.5
201.12807	1.8
209.11674	2.5
215.14317	18.4
223.13293	4.9
227.12738	12.7
227.17937	3.5
229.23383	1.8
231.44331	1.8
233.15410	5.2
243.13791	7.4
245.18962	5.9
249.14774	3.0
255.12244	3.2
255.17387	4.0
261.14810	14.4
273.18451	44.4
279.15854	3.9
283.15475	4.6
291.19489	71.3
309.20679	9.1
317.17502	3.3
335.18552	8.3
347.22247	16.3
350.43927	1.8
353.19537	97.5
354.19919	2.8
365.23148	41.5
383.24164	15.2
472.70102	2.0
505.27411	2.2
523.28729	4.2
545.31042	6.5
579.31732	2.5
607.35913	6.4
625.37152	19.3
643.38275	51.8
644.37939	6.6
661.39410	30.3
662.38739	2.5
754.34796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.7
65.03937	4.8
67.05496	37.8
69.03417	6.9
69.07057	65.0
69.62150	5.5
71.04997	4.9
73.06551	2.8
77.03928	1.5
78.33204	1.4
79.05479	71.7
81.03405	20.3
81.07044	100.0
83.04971	9.9
83.08606	13.2
85.02889	8.6
91.05467	61.4
93.07031	52.2
93.07594	3.5
95.04961	23.7
95.08594	25.1
97.02890	3.5
97.06517	20.5
97.10162	12.8
99.00805	2.4
99.04451	4.3
99.08057	2.0
103.05476	2.2
105.04545	3.3
105.07014	34.1
107.04932	19.3
107.08579	43.1
109.02895	7.9
109.06501	35.7
109.10127	13.1
111.04439	8.4
111.08079	5.4
115.05433	3.8
115.07533	1.8
117.07018	21.9
117.80494	1.3
119.04909	3.1
119.06040	2.1
119.08560	36.3
121.06480	17.9
121.10126	20.2
123.04416	4.3
123.08035	26.1
123.11740	1.6
125.05962	12.5
125.09598	33.1
127.03967	2.0
128.06206	3.4
129.06975	12.9
131.04893	2.1
131.08530	16.2
132.05669	1.7
133.06467	6.7
133.10110	19.9
135.08038	28.0
135.11674	5.9
137.05975	2.7
137.09601	22.6
139.07585	3.0
139.11208	1.9
141.06995	1.7
142.07703	2.2
143.07021	18.5
143.08559	13.1
145.06497	5.1
145.10106	10.7
147.08009	20.1
147.11664	4.4
148.08798	1.7
149.09622	14.8
151.07481	2.6
151.11140	3.7
153.09081	25.6
153.12717	3.2
155.08531	3.5
157.06448	2.2
157.10127	12.6
159.08037	6.8
159.11658	7.0
161.08113	4.7
161.09563	25.1
161.13248	2.6
163.07561	9.0
163.11107	8.7
165.09082	17.5
169.08626	2.0
169.10097	2.7
171.08018	2.8
171.11638	4.4
173.09624	4.0
173.13232	5.3
175.07556	2.6
175.11159	6.0
175.14809	3.7
177.09081	5.7
179.10634	3.5
181.08592	9.6
181.12289	2.1
183.11763	1.7
185.09589	2.6
187.11107	2.9
189.09109	3.5
189.11212	2.1
189.16286	2.7
191.10640	3.2
193.12190	16.0
199.09648	8.4
199.11168	1.9
199.14783	14.2
201.12669	2.3
201.16362	4.3
203.10596	2.8
203.14325	4.1
217.15854	29.4
221.11626	2.2
227.12534	3.6
227.14316	5.5
230.12460	1.8
239.12595	1.8
243.17409	2.6
245.12834	3.7
245.15355	73.9
247.16890	2.1
255.12267	5.2
261.18448	3.9
263.16385	51.2
264.16806	2.1
271.17038	5.0
273.18555	2.9
281.17456	6.7
283.15320	2.1
289.17941	21.3
307.19067	6.2
319.18942	12.7
337.20001	34.7
355.21069	25.1
363.21609	8.5
381.22650	74.3
453.25787	1.7
505.27823	3.6
523.28955	2.8
527.30151	2.3
545.31256	2.5
569.34808	2.9
580.76733	1.7
607.35931	5.1
625.37341	20.8
643.38379	49.7
644.38898	3.4
661.39294	29.8
724.89526	1.8
858.43939	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	858.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20731	2.0
63.25909	2.2
67.05498	36.9
69.03423	2.7
69.07050	14.5
73.64932	1.9
76.97954	2.5
79.05489	36.0
81.03409	2.2
81.07049	55.9
83.05002	2.6
83.08604	5.5
85.02872	2.7
91.05467	27.8
93.07032	32.1
95.04958	11.2
95.08603	29.9
97.10159	5.9
98.22691	8.1
105.04471	2.9
105.07009	15.8
107.04937	7.7
107.08571	15.5
109.06520	3.3
109.10137	13.9
111.08080	3.7
116.58596	2.1
117.07008	7.0
119.08585	15.5
121.06490	5.1
121.10140	17.2
123.08042	11.4
125.09586	3.7
129.06979	4.2
131.08548	14.2
133.10115	9.7
135.11659	7.2
137.09596	4.1
143.08551	6.6
145.10085	12.7
147.08028	9.8
147.11649	6.5
149.09602	6.0
149.13268	2.6
157.10179	4.1
159.11682	9.6
161.09648	5.2
161.13211	2.6
163.11153	6.6
171.11685	5.3
173.13234	5.1
175.14850	2.8
185.13226	3.5
195.11761	2.2
229.36411	2.4
240.18819	2.2
243.21130	3.6
245.19063	3.7
249.14862	3.1
255.17369	3.4
261.22168	9.4
273.18390	26.8
291.16022	3.3
291.19479	50.6
309.16153	7.8
317.24643	5.1
333.24414	2.4
335.25745	100.0
336.26022	2.3
347.22003	4.0
383.19766	26.5
385.38620	2.4
401.20804	54.4
607.43018	5.6
625.44403	7.7
643.40894	21.8
661.42163	31.3
662.41180	2.8
744.92719	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	858.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	3.5
65.03924	4.1
67.05498	70.0
68.53058	1.6
69.07057	24.1
69.20010	9.1
71.04985	4.1
77.03925	2.3
79.05482	60.7
79.05940	3.7
81.03412	3.4
81.07047	86.1
82.07377	2.3
83.04968	5.4
83.08599	10.9
85.02886	2.9
91.04926	3.3
91.05469	44.6
93.07031	60.7
95.04965	15.1
95.08590	45.7
95.09200	2.0
97.06496	4.0
97.10158	7.3
98.58073	1.6
99.08053	2.7
103.05426	2.1
105.04514	3.0
105.07010	28.3
107.04947	9.5
107.07909	2.9
107.08580	34.0
107.09259	3.1
109.06503	7.0
109.10137	20.1
111.04439	2.0
111.08048	3.6
115.05470	2.3
117.07019	15.6
119.08567	25.6
121.06450	8.5
121.10125	20.9
123.08084	10.6
123.11714	4.2
125.09620	3.7
128.06252	2.2
129.07011	8.9
131.08559	20.8
133.06459	3.5
133.10109	13.6
135.08066	5.3
135.11676	14.6
137.09598	2.4
143.08546	10.0
145.10121	20.5
147.08047	7.0
147.11653	8.6
149.09573	9.9
149.13211	4.9
153.09012	2.1
155.08580	2.0
156.46085	1.5
157.10127	7.4
159.11678	10.6
161.09601	6.3
161.13219	3.3
163.11171	8.9
167.23943	1.5
169.10153	2.2
171.08092	2.3
171.11635	4.6
173.13228	4.5
175.11165	2.6
181.09933	1.6
183.11809	2.1
185.13281	3.1
193.12244	1.7
195.11678	1.9
197.07231	2.3
223.13148	2.8
227.17874	2.3
237.16347	2.6
243.21129	3.0
255.17537	2.5
261.22174	8.8
273.18457	17.1
291.19507	24.1
309.16245	5.7
327.17099	2.5
335.25754	100.0
336.26135	2.9
337.27341	2.4
347.22043	4.2
383.19843	14.2
401.20892	26.7
460.12860	1.8
607.43372	3.3
625.44397	7.7
643.31238	2.6
643.41083	31.1
661.32068	2.7
661.42249	32.5
662.42719	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	859.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65816	0.3
70.66147	0.4
72.63238	0.3
76.80635	0.3
81.03359	0.4
83.82413	0.3
85.02802	0.3
97.02850	0.5
100.28707	0.3
102.90045	0.3
109.02832	1.0
115.03888	0.3
127.03853	0.9
177.05437	0.3
187.05881	0.4
189.06927	0.4
191.08513	1.2
195.07918	0.3
200.87157	0.3
203.08437	0.4
207.08051	1.3
208.08821	1.1
209.09630	0.7
219.08022	1.9
220.08827	3.5
221.09570	1.0
223.07576	0.4
223.11143	3.6
224.08154	0.6
233.09520	1.9
234.06644	0.4
235.07530	2.9
236.08264	7.2
237.09036	1.5
238.09662	0.4
239.10600	1.9
247.07562	1.4
248.08214	0.9
249.09116	1.9
250.09871	1.0
251.10635	14.7
252.07776	1.1
252.10832	0.6
260.75284	0.3
261.09036	0.6
262.09808	0.8
263.06967	1.0
263.10611	2.5
264.07767	1.3
264.11426	0.3
265.08478	0.6
266.09357	0.4
267.10092	4.1
277.08609	1.6
278.09305	0.8
279.10110	33.9
280.07599	0.5
280.10504	1.3
281.08185	0.6
281.11646	0.7
282.12512	0.4
287.05603	0.7
293.11578	0.8
294.12448	88.2
295.09641	29.9
295.12802	4.0
296.10037	1.5
309.11124	0.3
310.11942	44.7
311.12213	1.9
325.14291	100.0
326.14584	4.7
342.16946	27.2
343.17322	1.0
436.70935	0.3
803.92493	0.3
832.04517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.2
67.05503	2.5
69.03419	4.3
69.07062	0.4
71.01356	0.7
71.04993	0.5
71.44534	0.4
73.02904	4.5
79.05477	2.1
81.03407	5.9
81.07051	2.3
83.04979	1.1
83.08617	0.9
85.02896	9.1
85.95104	0.3
87.04465	0.7
91.03951	4.4
91.05465	4.0
91.05869	0.3
93.07036	1.7
95.04970	2.6
95.08595	1.1
97.02892	7.3
97.03483	0.6
97.06517	0.5
97.10227	0.5
99.04462	1.0
99.38155	0.4
101.02386	2.1
103.03943	0.9
103.10373	0.3
105.03409	1.0
105.07027	2.6
107.05000	0.6
107.08613	0.8
109.02881	1.5
109.06534	0.5
109.10164	0.4
111.04455	0.5
111.08095	1.0
119.08585	1.6
121.06529	0.9
121.10181	1.1
127.03908	2.9
129.07010	1.2
131.08588	1.1
133.10136	1.9
145.04951	0.8
147.11696	1.4
148.47989	0.4
149.09610	0.5
157.10158	1.4
175.11235	1.2
177.05453	0.7
185.04233	0.8
193.12201	2.3
203.05281	0.7
207.06490	0.4
211.13322	1.3
217.85008	0.4
243.08476	1.5
251.12703	1.5
285.16971	0.8
287.05469	0.9
294.25735	0.4
307.15317	0.9
314.80203	0.4
315.09476	0.4
328.11847	0.4
347.09436	3.1
347.80963	0.4
365.10611	0.9
405.13586	5.9
469.20374	12.6
631.25488	10.1
632.26630	0.6
697.33911	2.1
859.39154	100.0
860.39496	6.7
880.19330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4794
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02912	2.4
65.03941	0.4
67.05494	4.3
69.03416	2.2
69.07057	1.8
69.50199	1.1
71.01324	0.5
73.02908	2.7
77.03941	0.4
79.05481	5.9
79.13961	0.3
80.05841	0.3
81.03400	1.8
81.07043	8.9
82.07365	0.5
83.04961	1.6
83.08601	2.2
85.02892	3.7
91.03974	1.5
91.05460	4.5
93.07042	4.1
95.04957	2.5
95.08593	2.6
97.02885	2.3
97.06537	1.0
97.10188	0.8
99.04462	0.8
101.02387	1.0
105.07001	3.2
107.04935	1.8
107.08559	2.6
107.09158	0.3
109.02892	0.7
109.06500	2.4
109.10124	1.6
111.04477	1.2
111.08073	0.9
113.00589	0.3
117.07033	1.2
119.08569	2.4
121.06549	0.7
121.10117	1.7
123.04488	0.3
123.08078	1.0
125.09668	0.5
127.03938	1.0
129.05560	0.4
129.07011	0.5
131.08546	1.6
133.10094	1.6
135.08060	0.8
135.11710	1.0
143.08578	0.6
145.10094	1.6
147.08049	0.7
147.11685	0.5
149.09660	1.4
151.11188	0.3
155.08617	0.4
157.10135	0.4
159.11674	0.6
163.11241	1.5
173.09581	0.4
181.12289	0.4
185.04245	0.6
243.08379	3.6
259.07892	0.4
273.18509	0.5
275.20261	1.2
291.19614	0.7
293.21167	0.5
315.19412	1.0
320.84613	0.4
331.18741	1.8
333.20313	1.7
335.18433	0.7
336.19531	0.4
360.99857	0.4
371.21793	0.5
387.21698	0.7
389.23224	0.6
457.40714	0.3
533.27191	1.5
549.26611	7.0
549.34570	0.5
551.28125	5.8
567.27740	1.3
644.35101	0.4
662.35364	0.6
859.47925	100.0
860.48370	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	860.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.6
65.03920	0.3
69.03419	9.0
71.01352	0.3
71.04969	0.8
73.02898	1.0
76.03676	0.2
77.03915	3.3
79.05483	2.3
81.03405	9.4
83.04980	0.3
85.02892	14.2
87.04462	0.8
91.03938	0.3
91.05470	4.6
93.06439	0.3
93.07032	6.9
95.04956	14.9
96.05289	0.4
97.02879	7.8
98.22675	0.3
99.04429	2.1
99.11475	0.2
101.02360	0.2
103.03930	0.4
103.05455	5.7
103.06098	0.4
105.03378	100.0
105.04398	6.7
106.03718	1.3
108.13506	0.2
109.02860	8.1
120.49167	0.2
121.06487	59.0
122.06814	1.0
123.04409	6.1
124.76924	0.2
127.03899	7.7
142.61288	0.2
145.04929	3.0
161.86794	0.2
164.10693	0.6
165.05376	0.2
166.12253	25.3
167.12616	0.3
195.06497	0.6
207.06436	0.4
231.06441	2.0
247.18878	0.2
249.07544	13.0
250.08009	0.4
267.08594	12.1
268.09064	0.3
279.10309	0.2
294.12408	0.4
296.09985	0.2
312.14578	0.2
325.14514	0.8
342.17035	0.3
385.77881	0.2
409.73651	0.2
429.14215	0.3
430.18289	0.3
432.20129	12.1
433.20517	0.7
698.27942	0.9
837.29797	0.3
860.33179	35.1
861.33649	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	860.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	6.0
67.05495	85.0
69.03430	13.4
69.07055	57.5
69.22598	4.3
69.70689	14.1
71.04977	8.4
75.50699	4.9
79.05483	98.9
81.03411	16.2
81.07043	100.0
83.04975	20.7
83.08610	87.1
85.02890	10.7
91.05466	98.3
93.07030	90.4
95.04950	55.4
95.08587	46.8
97.02880	15.6
97.06530	20.8
97.10174	14.7
99.04402	7.1
103.75407	4.2
105.03378	8.5
105.04475	4.9
105.07015	51.8
107.04967	23.1
107.08574	75.9
107.09237	5.5
109.02886	4.7
109.06518	25.5
109.10155	37.6
111.04432	10.2
111.08085	26.9
117.06997	47.8
119.08559	43.1
121.06490	15.9
121.10115	38.4
123.04424	11.6
123.08089	14.4
125.05985	4.9
125.09615	25.5
129.05470	17.6
129.06990	11.7
131.08540	40.3
133.06509	13.9
133.10107	31.9
135.08032	44.5
135.11638	10.1
137.09605	27.1
139.07535	6.6
139.11179	13.5
141.06903	5.3
143.07060	10.0
143.08557	6.5
145.06537	6.9
145.10110	27.3
147.08041	12.2
147.11713	14.0
149.09596	53.6
151.07510	4.8
151.11157	7.0
153.09099	15.9
155.08487	7.3
155.10617	5.1
157.10002	5.1
159.11705	10.0
161.42729	4.1
163.07550	4.4
163.11128	26.4
165.09093	12.9
169.08669	5.3
169.10129	10.8
171.10062	7.8
173.13255	7.4
177.09148	13.1
177.12834	4.2
180.77412	4.5
183.11694	4.3
185.11624	4.3
187.11139	6.2
193.12253	23.6
199.14896	4.8
201.16365	30.1
203.10512	5.0
211.14792	5.7
216.26195	5.0
219.17435	64.7
223.39691	4.8
227.12808	5.8
229.14293	17.0
229.16090	10.5
239.12970	5.4
247.16927	61.4
248.17305	5.4
265.17990	26.2
273.18472	16.9
275.20197	8.1
289.17947	14.9
290.22467	4.9
291.19583	12.2
302.17456	8.6
321.20557	33.7
339.21625	53.6
363.21466	7.4
365.23166	19.8
367.24448	5.0
381.22775	9.8
399.23697	34.8
435.27499	4.8
475.30597	5.2
493.31454	13.4
515.33563	6.8
533.34772	9.6
555.18109	4.6
611.38995	16.2
629.40112	21.2
645.39667	19.9
654.43213	9.8
663.40918	35.4
698.46124	8.0
860.51251	7.9
861.39935	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	860.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.2
61.59790	1.2
62.20998	1.2
65.03931	4.1
67.05498	53.2
69.03427	8.3
69.07058	42.0
69.07433	1.9
71.01368	2.9
71.04980	5.8
71.08588	1.7
73.02900	4.3
73.06538	1.9
77.03918	1.4
79.05484	62.2
80.05810	1.4
81.03407	12.2
81.07048	100.0
83.04969	10.6
83.08607	28.1
85.02892	4.2
85.06525	4.4
91.05470	49.5
91.98470	1.3
93.07030	45.3
95.04961	30.2
95.08601	30.7
97.02882	13.6
97.06516	15.2
97.10165	4.8
99.08090	5.3
103.05465	2.1
105.04512	2.3
105.07021	36.8
107.04942	22.7
107.08581	30.3
108.65244	1.2
109.02853	3.1
109.05750	1.7
109.06503	29.1
109.10136	19.0
111.04434	2.5
111.08068	9.3
113.06005	2.6
115.05448	2.5
115.07562	2.2
116.04673	2.9
117.07005	19.8
119.08569	35.3
121.06486	14.1
121.10117	16.7
123.04422	3.6
123.08065	11.9
123.11706	4.0
125.05978	2.8
125.09615	5.8
127.07542	2.3
128.06239	1.9
129.05470	26.3
129.06950	7.8
130.58516	1.3
131.08539	20.2
133.06502	6.8
133.10112	19.6
135.08032	28.9
135.11667	8.8
137.05914	2.6
137.09598	19.0
139.11150	1.8
141.07018	3.2
143.07019	12.2
143.08521	6.6
145.06464	4.0
145.08517	1.6
145.09023	1.5
145.10117	15.4
147.08032	11.9
147.11668	14.7
149.09615	25.5
149.13274	3.9
151.07513	3.6
151.11177	5.4
153.09084	7.8
155.08510	3.2
155.10649	2.4
157.08694	2.9
157.10139	7.0
159.08037	3.1
159.11674	10.2
161.08255	2.0
161.09608	7.8
161.13245	3.1
163.07527	3.8
163.11169	14.5
165.09085	5.6
165.12746	3.4
167.10664	2.0
169.10158	3.8
171.10150	4.2
171.11681	4.8
173.09547	2.5
173.11740	2.8
173.13235	5.2
175.11162	5.1
175.14786	1.7
177.09116	4.6
177.12695	3.3
179.10616	2.4
183.11609	2.4
184.07262	1.8
185.11700	3.3
185.13239	3.4
187.11145	3.6
187.14806	2.8
189.11064	2.4
189.12688	1.8
191.10648	2.7
193.08630	1.4
193.12257	4.0
199.09555	1.8
199.14929	2.8
201.11191	7.3
201.12837	2.0
201.16385	3.7
203.10492	1.5
211.09689	3.4
211.14828	3.9
215.14244	2.1
217.15892	3.0
219.17461	2.6
227.12679	2.9
229.14217	5.3
229.16203	8.5
229.19478	3.1
239.12714	2.4
241.14301	2.1
245.15393	13.2
247.16882	20.0
247.20653	2.0
257.19098	2.7
261.14804	3.2
263.16443	4.4
265.17944	3.1
267.15839	3.0
273.18506	7.4
275.17032	2.6
275.20007	35.3
289.17917	3.4
291.19449	3.8
293.21014	4.5
319.19052	5.0
321.20529	18.5
335.18658	1.5
337.20041	11.6
339.21646	11.9
347.22104	2.8
349.23737	17.6
353.19473	2.9
365.23340	7.7
367.24652	16.0
371.20596	32.2
399.23651	9.9
457.29385	3.1
475.30353	5.5
493.31540	3.2
515.33508	4.9
533.34827	2.1
593.37976	2.8
611.39441	18.7
627.38910	1.9
629.40265	10.6
645.39874	14.9
663.40894	30.3
664.41510	2.4
698.45630	3.8
712.62622	1.6
757.34900	2.9
860.50647	9.7
861.38934	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	860.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	2.4
65.03925	4.1
67.05495	50.4
67.61089	0.7
68.05856	1.1
68.06258	1.0
69.03424	7.5
69.07056	30.3
70.06600	0.7
71.01342	3.4
71.04990	5.8
73.02905	3.3
76.64661	0.7
77.03929	1.3
79.05481	53.9
80.05812	1.4
80.06259	1.0
81.03405	10.0
81.07045	100.0
82.07379	1.9
83.04971	8.9
83.08609	15.5
85.02881	4.7
85.06537	2.6
91.05467	37.1
92.05781	0.9
92.70825	0.9
93.07030	42.9
95.01345	1.3
95.04953	23.8
95.08591	33.6
96.04477	0.8
97.02885	10.5
97.06522	12.2
97.10158	8.6
99.04451	1.7
99.08100	3.1
103.05438	1.8
104.06244	0.9
105.03365	1.3
105.04505	3.2
105.07011	23.0
106.07346	0.9
107.04935	15.4
107.08575	22.9
109.02880	2.2
109.06503	44.3
109.10145	25.1
111.04449	2.3
111.08072	6.1
112.07599	2.0
113.05996	1.6
115.05446	1.2
116.04707	3.5
116.06143	0.7
117.07003	13.4
119.04927	1.0
119.06113	1.0
119.08564	25.1
121.06476	6.5
121.10121	17.4
122.07179	1.1
123.04400	4.7
123.08052	12.2
123.11695	2.4
125.09602	10.4
127.03885	1.1
127.07543	1.5
128.06200	1.6
129.05482	10.0
129.06952	6.3
130.07729	0.8
131.04950	1.0
131.08559	13.5
133.06490	5.5
133.10112	11.8
135.08044	19.2
135.11674	7.4
137.05952	1.7
137.09592	21.5
138.10329	0.8
139.07600	1.3
139.11172	3.2
141.06956	1.7
142.07755	0.9
143.07031	2.8
143.08556	5.5
143.10670	1.0
145.06468	3.3
145.08887	1.1
145.10106	12.7
147.08034	7.2
147.11667	5.5
149.09598	18.3
149.13248	2.0
151.07503	5.0
151.11195	3.8
153.09103	6.5
155.08563	1.8
155.10623	1.8
157.08604	5.1
157.10088	3.1
159.08038	2.7
159.11673	6.5
161.09601	6.1
161.13257	1.4
163.07555	1.9
163.11165	9.8
164.07108	1.4
165.09082	6.2
165.12801	0.9
167.10704	1.9
169.08646	1.4
169.10042	1.7
171.08020	1.1
171.10175	2.3
171.11714	2.0
172.07469	0.8
173.09612	2.6
173.11743	4.0
173.13254	2.7
175.11166	2.4
175.14809	1.1
177.07877	1.7
177.09117	2.9
177.12741	2.3
177.16408	1.0
179.10739	2.0
181.12247	2.0
183.10208	1.4
183.11673	1.9
184.07320	1.0
185.09589	1.2
185.11722	1.5
185.13249	1.3
187.11272	2.0
187.14868	1.4
189.09265	0.7
189.11217	3.3
189.12753	1.6
191.10652	2.3
193.12175	7.4
197.13278	0.9
199.13220	1.3
199.14880	1.3
201.11143	0.8
201.12772	1.1
201.16376	5.7
203.10612	0.9
203.14420	0.8
205.12209	1.0
209.11652	1.5
211.13188	1.1
211.14897	1.5
216.66330	0.7
217.15941	0.8
219.17444	4.1
221.11809	1.5
227.12617	4.7
229.13991	6.9
229.15987	3.8
239.12772	4.1
243.13876	0.8
245.15340	2.2
245.19080	1.6
247.16891	22.1
248.17174	0.9
261.18497	1.3
263.16510	1.1
265.17883	6.0
269.17419	1.3
271.16879	1.5
273.18478	10.6
274.18213	1.4
275.20117	2.5
289.17920	4.4
291.19501	6.8
293.21600	0.8
295.15314	1.3
302.17422	1.8
307.19119	1.4
319.18906	1.3
320.18732	2.0
321.20575	22.9
331.38513	1.0
335.25867	1.0
337.20117	1.4
339.21625	26.8
347.22131	5.4
349.23450	1.0
363.21600	2.2
365.23166	10.8
371.20987	1.1
381.22678	3.4
394.22037	1.2
399.23691	21.0
400.24060	0.9
417.26480	1.1
475.30508	6.5
487.30298	1.1
493.31644	6.1
509.30765	1.0
515.33624	3.2
555.36011	0.9
559.32367	1.5
577.33643	1.0
593.38232	2.9
611.39313	13.1
612.39734	1.8
613.40625	0.9
627.38794	2.0
629.40338	11.3
630.40405	1.2
645.39764	13.0
646.40570	1.8
654.43579	5.1
663.40881	33.7
664.41394	1.8
698.45776	2.5
757.36029	3.5
816.48206	2.7
860.50354	10.2
861.39667	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	860.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84346	1.0
65.03934	3.0
67.05492	40.4
69.03413	5.0
69.07058	39.7
71.04980	4.4
73.02918	1.4
73.06555	1.1
77.03925	1.5
79.05480	62.1
81.03406	16.7
81.07043	100.0
83.04967	12.8
83.08606	14.0
85.02892	8.8
85.06510	2.5
86.56305	1.1
91.05469	46.7
91.06040	2.5
93.07032	42.1
95.01344	1.4
95.04951	27.1
95.08591	26.1
97.02830	1.8
97.06519	15.5
97.10149	14.7
99.04422	3.7
99.08081	4.2
105.04504	2.8
105.07011	32.1
105.07723	1.7
107.04937	17.3
107.08576	36.7
109.06501	30.4
109.10144	12.3
110.94733	1.1
111.04426	12.4
111.08065	7.4
115.05422	2.9
116.06165	1.2
117.07001	17.9
119.04887	2.9
119.08559	40.7
121.06500	11.9
121.10130	18.6
123.04444	1.5
123.08052	31.8
125.05968	7.8
125.09607	32.7
128.06216	2.9
129.06987	15.7
131.04893	1.6
131.08549	21.6
133.06480	6.5
133.10098	17.3
135.04372	1.5
135.08035	17.0
135.11678	8.5
137.09595	15.6
139.07489	1.5
139.11169	3.1
141.07008	1.3
142.07741	2.7
143.06996	12.6
143.08553	13.2
145.06474	2.6
145.10101	14.7
147.08014	21.2
147.11664	7.1
149.09592	17.0
149.13274	1.2
151.07521	2.7
151.11179	2.0
153.09079	23.8
153.12733	4.2
155.08653	2.3
157.06541	2.7
157.10101	13.5
159.08037	4.1
159.11644	6.6
161.08093	4.3
161.09602	18.5
161.13235	2.6
163.07510	3.7
163.11147	16.1
165.09097	17.2
167.08487	2.0
169.10126	2.1
171.10268	2.1
171.11682	6.8
173.09618	5.3
173.13237	5.1
175.07530	2.0
175.11147	5.2
175.14845	1.9
177.09137	3.6
177.12711	2.2
181.08588	5.9
181.09955	1.4
181.12242	4.9
183.11565	1.9
184.12494	1.5
185.09567	2.5
185.13243	3.6
187.11150	2.3
189.09471	2.0
189.11188	9.1
189.12743	2.8
189.16330	1.4
191.10672	4.0
191.14165	1.2
193.08572	1.9
193.12212	3.1
199.09616	7.4
199.11200	1.8
199.14793	11.4
201.16374	2.8
203.10648	2.4
203.14253	3.0
205.12230	2.6
209.13350	1.5
217.15836	23.2
223.13269	3.2
227.12550	10.7
227.14606	1.8
235.16942	1.7
245.15358	50.4
245.19048	2.1
249.14792	1.3
249.77069	1.1
255.12112	1.5
255.17398	5.3
263.16382	34.8
273.18433	26.6
274.18674	1.5
281.17419	5.6
283.15359	2.4
283.75470	1.2
291.19482	47.3
301.82913	1.2
309.20471	5.3
319.18921	12.6
337.20047	27.7
347.22049	12.6
355.21106	23.7
356.21341	1.2
365.23193	26.6
383.24237	14.5
499.30011	1.4
507.29608	3.5
517.32489	1.7
529.31329	2.5
535.33832	1.6
553.34393	1.7
591.36798	3.8
609.37799	16.8
627.38702	30.2
628.38458	1.8
645.29999	1.4
645.39948	19.8
646.39856	2.2
663.40875	7.5
689.94830	1.3
860.40845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.4
65.03916	1.8
67.05495	24.4
69.03416	3.7
69.07065	6.2
71.04949	0.9
73.02894	3.1
79.05485	20.1
81.03407	18.3
81.07048	20.7
83.04958	2.3
83.08612	5.8
85.02888	6.1
85.06534	1.6
91.03941	2.4
91.05468	22.6
93.07029	19.7
95.04951	9.2
95.08601	16.2
97.02911	5.1
97.06511	2.8
97.10166	1.1
98.22739	3.1
99.04450	1.1
99.08081	1.1
105.03356	1.0
105.04514	1.4
105.07013	11.4
107.04947	3.4
107.08575	9.8
109.06512	2.6
109.10135	6.9
111.08060	2.9
115.05438	0.9
117.07038	4.9
119.04921	2.8
119.08540	9.7
121.02809	1.1
121.06479	2.1
121.10133	9.7
123.04401	3.7
123.08034	2.0
123.11680	1.7
125.09551	1.2
127.03886	1.6
128.06194	1.5
129.06969	4.3
131.04883	1.7
131.08540	8.0
133.06473	2.5
133.10107	6.2
135.04393	2.5
135.07965	1.1
135.11674	2.4
136.23589	0.8
137.05954	21.1
137.09554	1.9
139.05177	0.9
139.11159	0.9
141.06958	1.2
143.08511	1.0
145.06427	3.6
145.10101	3.3
147.04338	4.2
147.08051	1.3
147.11671	4.7
149.05913	5.5
149.09581	5.8
157.06474	2.4
157.10146	4.2
159.08054	2.0
159.11684	1.1
161.05965	8.5
163.07539	3.5
164.07086	1.3
169.06540	1.0
171.08031	1.6
171.11594	1.3
173.05893	4.2
173.09732	1.0
175.07535	6.2
175.11185	5.2
177.05382	1.0
184.07269	1.1
185.06038	1.2
185.13211	1.2
186.37022	1.0
187.07494	5.6
189.09099	2.5
193.12218	6.1
195.08138	1.0
195.13754	1.1
197.09593	1.2
199.07487	2.6
201.09099	2.9
209.09558	1.2
211.13242	2.6
213.08997	1.4
227.10609	1.2
257.15332	3.9
285.14752	3.2
302.17581	6.5
302.20456	1.2
303.15771	2.2
328.19287	1.0
329.17325	5.5
335.25717	9.4
336.25894	0.9
346.20297	6.0
347.18582	1.4
376.21265	1.4
394.21753	0.8
420.23566	3.8
425.47220	0.9
437.67206	0.9
438.24722	1.5
497.30234	0.9
654.43481	1.7
680.44489	3.1
681.43237	1.9
698.46149	100.0
699.46301	8.1
737.94592	0.9
740.46851	1.7
776.46661	1.2
786.66907	1.0
806.47192	1.9
824.48438	3.6
842.50806	5.2
843.50079	1.0
860.51184	62.9
861.34229	1.3
861.51685	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	861.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02947	0.9
62.91282	1.0
69.03419	1.2
71.43189	1.5
76.52274	1.2
81.07040	1.3
85.02917	1.6
90.61972	1.0
93.07041	1.6
97.02847	1.9
108.07884	1.0
127.08285	0.9
127.51857	1.0
164.47914	1.2
261.22336	1.0
394.90274	1.2
519.29541	2.3
861.47668	100.0
862.47668	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	861.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.8
65.03890	0.3
67.05493	3.5
69.03416	1.5
69.07061	1.9
71.01357	0.4
71.04984	0.7
73.02897	2.6
73.50451	0.3
79.05476	2.5
81.03407	1.4
81.07040	5.0
83.04975	1.0
83.08589	1.7
85.02886	3.1
87.04448	0.4
90.57337	0.3
91.03934	1.7
91.05462	1.9
93.07020	2.1
95.04965	2.0
95.08584	2.3
97.02878	3.1
97.06515	0.4
97.10159	0.4
99.04448	0.9
101.02358	1.4
102.26434	0.3
103.03971	0.3
105.07021	1.8
107.05016	0.5
107.08572	2.3
109.02878	0.7
109.06510	1.1
109.10130	0.6
111.04417	0.7
111.08063	0.5
117.07010	0.9
119.08564	1.7
121.06472	0.3
121.10114	1.8
123.08071	0.5
123.11691	0.6
125.09602	0.4
127.03876	0.6
129.05522	0.4
129.07047	0.4
131.08572	1.2
133.10071	1.3
134.55478	0.3
135.08090	0.3
135.11685	0.8
137.09631	0.3
145.10130	1.0
147.11699	1.2
149.09644	1.2
149.13208	0.4
159.11688	0.6
161.13257	0.5
163.11235	1.1
175.11099	0.3
185.04262	0.5
223.13217	0.4
243.08363	3.2
275.20029	0.6
301.08862	0.4
333.20206	3.9
333.59778	0.3
389.23108	1.3
423.19913	0.8
425.21863	0.4
481.20459	0.4
551.28137	14.1
552.27966	0.6
561.99481	0.3
623.30194	0.8
733.41302	0.4
861.49445	100.0
862.49786	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	861.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.6
65.03928	0.4
67.05495	3.3
69.03419	2.7
69.07069	1.9
69.76732	1.5
71.04997	0.6
73.02909	2.2
79.05483	3.2
81.03411	2.0
81.07044	3.8
83.04986	1.2
83.08627	2.1
85.02906	4.1
91.03964	1.9
91.05462	3.1
93.07043	3.9
95.04959	2.9
95.08591	2.2
97.02879	4.3
97.06554	0.7
97.10165	1.6
99.04459	1.5
101.02389	1.2
105.07016	3.0
107.04975	1.5
107.08585	2.8
108.00973	0.4
109.10155	1.0
111.04447	1.9
111.08118	0.5
117.07025	1.2
119.08573	2.1
121.06534	0.6
121.10150	1.7
123.08073	0.7
125.09556	0.5
127.03959	0.9
129.05460	0.6
129.07013	0.4
131.08583	0.9
133.10120	1.5
135.11668	0.8
143.57533	0.4
143.58640	0.4
145.10138	1.8
147.11702	0.8
149.09622	2.1
161.13249	0.5
163.11220	1.9
174.06377	0.5
185.04268	0.6
206.56667	0.4
213.53972	0.4
223.13275	0.8
243.08391	3.6
333.20248	2.9
349.19879	0.7
389.23175	1.2
465.20636	0.5
535.29010	1.1
551.28217	12.2
552.28186	0.7
567.27399	2.0
617.07446	0.5
861.49554	100.0
862.50098	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	861.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.8
67.05495	5.0
69.03418	2.3
69.07055	2.7
69.58508	1.6
71.04985	0.5
73.02907	2.5
79.05484	3.9
81.03418	1.6
81.07046	6.9
82.07401	0.5
83.04980	1.0
83.08614	1.2
85.02885	3.4
91.03948	2.4
91.05469	3.9
93.07036	3.4
95.04974	1.6
95.08596	3.0
97.02879	2.8
97.06554	0.7
99.04478	1.0
101.02396	1.5
105.06997	3.0
106.36526	0.4
107.04972	1.4
107.08582	2.4
109.06537	1.0
109.10196	1.8
111.08057	0.5
117.07056	1.1
119.08596	1.8
121.10170	1.6
123.11715	0.6
127.03915	1.0
131.08563	1.3
133.10101	2.3
135.08096	0.6
135.11674	1.0
137.09642	0.5
145.10135	1.6
147.11737	1.4
149.09618	0.5
151.11191	0.6
159.11676	1.0
163.11232	0.9
173.13297	0.5
176.54343	0.4
185.04277	0.6
185.13391	0.7
196.67590	0.5
243.08327	3.7
268.24362	0.4
275.20166	0.8
301.08984	0.8
333.20383	3.9
389.23068	1.2
425.21375	0.4
452.75064	0.4
478.25562	0.5
544.60114	0.5
551.28131	13.0
552.28619	0.8
562.76050	0.4
577.94720	0.5
594.91711	0.4
623.30762	1.0
699.45184	0.5
733.41254	0.7
861.49432	100.0
862.49805	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	861.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.1
67.05489	4.6
69.03441	2.0
69.07063	1.4
70.40902	1.1
71.01387	0.7
73.02916	1.6
79.05503	2.6
81.03434	1.6
81.07053	3.7
83.04979	0.7
83.08634	1.7
85.02878	3.0
91.03923	1.0
91.05453	2.9
93.07021	2.9
95.04978	1.4
95.08606	2.4
97.02906	2.2
97.06518	0.7
105.07033	2.3
107.08604	1.6
107.59901	0.6
109.10191	1.1
111.08189	0.9
117.07040	1.0
119.08620	2.2
121.74930	0.8
123.08057	0.8
131.08566	1.1
133.10156	2.0
135.08157	0.7
135.11790	0.7
145.10103	1.0
149.09647	1.2
159.11681	0.8
163.05324	0.6
163.11197	0.7
172.53412	0.5
192.25688	0.7
243.08484	2.2
258.41074	0.6
333.20267	2.9
389.23160	1.0
533.27350	0.9
551.28223	9.1
552.28839	0.7
627.39526	0.6
644.94061	0.7
775.42383	0.9
861.49097	100.0
862.49121	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	861.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.1
65.47164	0.7
65.86967	0.7
67.05503	3.0
69.03423	2.4
69.07060	0.9
73.02917	1.9
78.80081	0.6
78.80602	0.7
79.05501	2.9
81.03406	0.8
81.07055	4.2
85.02908	2.8
87.37920	0.7
91.03974	2.5
91.05483	1.6
93.07053	2.6
95.08614	2.1
95.51138	0.6
96.76810	0.6
97.02895	4.0
101.02402	1.0
105.07018	0.9
107.08601	2.1
119.08633	1.0
119.65471	0.6
121.10149	1.3
127.03978	1.2
145.10031	0.8
147.11702	0.8
156.83078	0.6
185.04292	1.5
203.05171	0.7
214.85168	0.8
243.08476	2.2
301.09055	2.0
315.10559	1.5
365.19470	1.6
373.11444	1.0
385.18481	1.8
396.73810	0.7
519.29346	6.5
578.30872	1.9
591.31598	1.1
602.51514	0.7
662.39899	1.4
759.43152	1.5
843.47681	1.0
861.48987	100.0
862.49286	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	861.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.4
67.05499	5.2
67.05767	0.5
69.03427	3.2
69.07059	1.4
69.74754	1.4
71.05003	1.6
73.02906	5.2
79.05484	3.9
81.03411	1.3
81.07043	6.8
81.07413	0.6
83.08638	1.5
85.02898	5.1
91.03941	2.9
91.05471	3.0
93.07037	4.1
95.04985	1.0
95.08607	3.9
97.02878	4.2
97.06544	0.6
99.04483	1.6
99.50973	0.5
101.02405	2.3
105.07017	1.3
107.04936	0.7
107.08624	1.6
109.02867	0.9
109.10187	1.9
119.08595	1.9
121.10152	1.7
123.11717	0.9
125.09648	0.7
127.03938	1.4
131.08594	1.2
133.10146	1.4
135.11745	1.1
136.66638	0.5
139.49075	0.6
145.10161	0.6
145.75636	0.6
147.11757	0.8
149.13258	0.8
154.67245	0.5
185.04242	0.9
243.08437	3.7
246.20256	0.6
277.60608	0.5
335.25851	1.1
336.66986	0.6
365.22913	5.8
373.37833	0.6
421.25937	0.6
425.21689	0.7
519.29089	5.9
583.30823	4.0
584.30627	0.7
861.53271	100.0
862.53625	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	862.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	5.0
65.03943	6.0
67.05493	53.4
69.03436	7.3
69.07062	44.1
71.05002	8.2
73.02885	5.3
76.55639	2.4
79.05482	81.8
79.05940	4.1
81.03408	12.7
81.07046	96.0
82.07412	4.1
83.04966	17.5
83.08120	4.5
83.08607	67.5
83.09071	4.0
85.02471	2.5
85.02890	12.4
91.03958	2.6
91.05466	84.4
93.07029	90.5
95.04954	56.5
95.05500	3.9
95.08597	38.0
95.09201	2.7
96.09013	2.1
96.58335	2.3
97.02884	4.0
97.06529	12.6
97.10194	9.8
99.04449	8.3
99.08044	2.5
103.05476	3.0
105.04486	5.8
105.07008	43.2
105.07611	2.7
107.04932	25.4
107.05574	2.3
107.08575	56.4
107.09233	3.1
109.06498	20.1
109.10156	16.9
111.04462	10.1
111.08060	14.7
115.05470	6.7
116.06242	2.8
117.07011	41.2
119.08562	55.4
119.09399	2.8
121.06490	20.6
121.10139	24.0
123.08039	19.1
123.11684	2.7
125.05969	2.8
125.09617	12.9
128.06233	3.7
129.07011	17.6
131.04990	3.1
131.08554	43.1
133.06516	8.9
133.10103	27.2
135.08044	33.7
135.11650	12.6
137.06050	3.7
137.09604	17.3
139.11221	5.4
141.07069	3.5
143.08554	18.1
145.06511	5.3
145.10089	34.8
147.08037	24.2
147.11719	10.8
149.09598	55.4
149.13225	2.8
151.11168	4.8
151.17238	2.4
153.09105	4.2
155.08543	4.9
157.10150	12.9
159.11653	12.8
161.09599	14.0
161.13257	5.4
163.11154	31.9
165.09157	2.6
167.08665	4.7
169.10042	5.4
171.11780	8.4
173.09668	3.9
173.13248	5.0
175.11252	4.1
175.14752	2.8
177.09196	8.5
177.12839	2.7
183.11729	4.2
185.09651	3.8
185.13329	6.5
187.11224	4.8
187.14903	4.4
189.11230	6.3
189.12798	4.4
191.10670	4.2
197.07359	7.3
199.14864	8.6
201.16351	17.4
205.12260	3.8
211.14827	4.0
217.15915	5.5
219.17407	35.0
223.13264	24.5
227.14449	3.0
229.15938	10.2
239.18002	3.2
243.08440	4.5
245.15372	23.9
247.16893	38.3
253.13744	9.8
255.17749	3.1
257.19128	5.7
263.16394	4.1
265.18008	14.8
273.18430	18.4
275.20020	34.8
281.13031	2.6
291.19537	21.5
293.21057	25.6
299.14194	2.9
309.16339	5.5
319.19229	10.3
321.20505	20.1
339.21515	36.0
347.22263	8.9
349.23547	21.5
354.60788	3.1
355.16705	26.9
367.24753	39.8
373.17697	31.6
383.19800	24.2
401.20840	34.6
432.43063	2.3
535.28949	3.5
552.28668	5.8
593.38672	7.3
611.39514	18.0
629.37036	10.7
647.36963	50.0
665.38062	46.9
666.08240	2.8
666.38544	3.9
700.47113	7.1
711.20752	2.5
775.01471	3.3
861.49231	4.0
862.50024	100.0
863.47803	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	863.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.1
62.84758	0.3
67.05511	1.9
69.03107	0.3
69.03419	1.7
69.07054	3.1
71.04993	0.5
73.02914	2.2
79.05495	3.1
81.03425	1.9
81.07051	3.0
83.04982	0.5
83.08632	0.6
85.02912	3.1
86.35233	0.3
91.03957	1.8
91.05470	2.8
93.07021	1.6
95.04984	1.1
95.08633	1.3
97.02876	2.3
97.06581	0.8
97.10169	0.5
98.22707	1.1
99.04469	0.8
101.02396	1.3
105.07034	1.0
107.04977	0.9
107.08573	1.6
109.02910	0.8
109.06518	0.7
109.10155	0.5
111.04444	0.5
117.06994	0.7
119.08604	2.2
121.06528	0.7
121.10180	0.9
123.08090	0.9
125.09635	0.6
127.03911	0.8
129.06931	0.4
131.08572	0.5
133.10155	1.0
135.08109	0.7
135.11723	0.4
137.09679	0.6
143.06958	0.6
145.04973	0.4
145.10146	0.4
147.08110	0.8
149.09627	0.9
153.09119	0.6
161.09615	0.7
163.07597	0.4
185.04303	0.5
189.41104	0.3
199.14807	0.3
231.90170	0.3
237.48260	0.3
243.08359	4.5
243.10501	0.4
258.61237	0.3
301.09103	1.0
313.08994	0.6
315.10632	0.7
321.16818	1.1
347.18500	1.2
357.15277	0.6
369.15536	0.5
373.10962	0.5
377.19485	0.9
423.16110	0.5
439.19470	0.4
467.18924	0.4
469.17026	0.6
479.18509	0.3
539.24597	7.2
565.26178	2.8
611.27216	0.5
637.28351	1.2
667.34113	0.4
737.37219	0.5
747.34869	0.4
773.33698	0.7
857.17627	0.4
863.43817	100.0
864.43903	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	863.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.8
63.41119	0.3
67.05496	2.3
69.03412	2.3
69.07053	2.9
69.48899	1.2
70.10905	0.4
71.04969	0.5
73.02911	2.9
79.05482	3.1
81.03403	1.7
81.07042	3.3
83.04983	0.8
83.08605	0.5
85.02892	3.2
91.03938	2.4
91.05462	2.8
93.07037	2.1
95.04967	1.2
95.08619	0.9
97.02871	3.3
97.06546	0.5
97.10184	0.9
99.04459	0.8
101.02381	1.2
105.07024	0.9
107.04961	0.7
107.08603	2.1
108.52927	0.4
109.02869	0.9
109.10163	0.6
111.04434	0.5
113.04849	0.3
117.07070	1.3
119.08584	1.9
121.06480	0.4
121.10168	0.6
123.08074	1.0
125.09673	1.3
127.03925	1.3
127.84853	0.3
129.05450	0.4
131.08607	0.4
133.06532	0.6
133.10088	0.4
135.08031	1.8
135.11758	0.5
137.09645	0.5
143.06992	0.5
145.10097	0.8
147.08121	0.5
147.11757	0.4
147.29730	0.3
159.75760	0.3
161.13213	0.6
163.07588	0.4
165.09036	0.3
169.35771	0.3
185.04297	1.2
189.12744	0.4
201.03836	0.4
203.05254	0.4
215.14287	0.6
240.94328	0.3
243.08362	4.8
288.72543	0.4
291.19513	0.5
301.09152	0.9
303.06964	1.2
313.08954	0.6
315.10703	0.7
319.14999	0.5
349.19769	2.4
357.15176	0.4
392.95172	0.3
405.22537	0.9
411.16214	0.7
439.16046	1.0
451.15698	0.5
469.16812	0.5
537.23010	5.0
565.26373	0.4
567.27502	4.3
568.28473	0.4
609.25665	0.9
639.29529	1.0
737.37781	0.6
747.35431	0.6
773.33893	0.6
793.36835	0.4
863.43817	100.0
864.44275	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	864.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12925	0.7
65.03955	0.9
69.03413	5.8
71.05000	1.9
73.02913	1.0
77.03939	0.8
79.05486	2.9
81.03417	5.1
81.07041	1.0
83.04967	6.9
85.02904	8.9
91.05479	7.7
93.06992	0.8
94.04189	2.4
95.04963	3.3
97.02903	5.0
98.23412	2.6
99.04449	14.0
103.03966	1.7
103.05454	38.9
105.07014	13.2
106.07490	0.9
107.04940	14.0
109.02871	5.4
109.06524	1.0
113.06045	1.2
115.05452	2.5
117.07000	1.4
119.04965	6.1
121.06473	4.0
122.03644	4.3
127.03904	16.8
128.06250	1.7
129.06990	4.6
131.04915	80.5
132.05351	1.0
133.02863	1.4
133.06476	31.9
135.04410	1.0
135.08012	4.8
137.05960	100.0
138.06317	1.7
141.05432	3.9
143.04961	0.9
143.08574	1.4
145.04958	1.9
145.06499	1.6
146.07298	1.0
147.04393	11.1
147.08025	1.0
148.05156	1.5
149.05978	5.3
151.03873	7.8
151.07533	15.8
157.06450	4.5
158.07323	1.1
159.08000	1.6
161.05966	42.8
161.09593	13.0
162.06735	3.0
163.07526	92.9
164.07970	1.5
165.09099	23.6
169.06523	1.2
171.08070	2.4
174.06755	2.5
175.07536	9.6
177.05469	4.6
177.09087	11.5
177.10530	1.1
179.07030	7.1
181.08611	1.8
183.10144	19.2
183.11662	1.4
187.07552	1.6
189.09077	38.1
190.09418	1.8
191.06978	5.4
193.06441	1.0
193.10130	1.5
195.08130	1.7
195.10138	0.8
201.09128	3.0
203.07065	2.4
203.10637	4.3
207.08224	1.1
207.10117	21.2
209.09796	0.8
210.06793	1.6
211.07648	0.9
215.06970	1.0
217.08492	0.9
219.10095	5.2
221.05977	1.8
221.09624	2.4
221.11754	4.5
223.07442	0.9
224.08308	1.2
225.09077	2.4
227.07065	1.2
227.10678	2.6
229.08463	1.1
233.08052	2.6
235.07501	1.1
237.09053	1.1
239.07079	0.9
239.10660	1.1
245.08223	1.2
249.09178	1.4
252.07698	1.1
253.08690	1.4
253.12119	4.3
255.10204	2.7
257.08145	1.0
261.08960	1.2
265.08640	2.0
265.12198	1.5
267.10110	2.9
275.09024	2.2
281.11810	3.1
282.08771	1.4
283.13367	1.1
284.10236	1.0
285.11166	6.9
287.12717	4.8
291.12210	17.0
293.11664	3.2
297.11188	7.5
299.12714	2.6
309.13278	14.9
313.14291	10.7
315.12189	4.0
323.11420	1.8
325.14285	8.6
327.14221	5.7
331.15384	23.1
333.13321	8.9
341.12366	2.8
343.15329	11.2
345.13248	3.7
345.17075	2.4
351.14374	5.4
361.16443	1.4
363.14233	7.6
423.18057	1.3
439.17453	12.9
451.17661	4.1
453.19061	2.7
457.18552	10.7
469.18567	12.3
470.18652	1.0
471.20084	2.4
475.19568	5.7
551.85938	0.8
574.48340	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	0.7
68.81615	0.1
69.03413	0.1
69.29156	0.4
69.29560	0.2
71.04973	0.4
79.05489	0.1
80.04036	0.1
81.03404	22.4
82.03727	0.3
85.02889	0.5
87.31976	0.1
87.51637	0.1
95.04932	0.1
97.02879	10.8
98.23495	0.2
99.04445	1.0
103.03876	0.2
109.02863	100.0
110.03190	1.4
112.04396	0.2
121.02859	0.1
123.44744	0.1
127.03895	33.8
128.04219	0.4
139.03876	5.1
145.04909	0.2
157.10103	0.1
169.04935	28.2
170.05260	0.4
187.06067	0.1
211.05988	1.8
229.07083	0.3
231.06453	0.2
264.64960	0.1
269.70816	0.1
287.05435	2.4
331.10358	0.7
333.64465	0.1
451.46182	0.1
451.63834	0.2
535.10272	0.3
583.48041	0.1
630.70142	0.1
865.41699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.5
67.05502	2.5
69.03427	2.7
69.07059	3.5
69.62919	1.0
71.04996	0.6
73.02906	2.4
79.05488	3.3
79.31487	0.2
81.03412	1.6
81.07050	3.1
83.04974	0.7
83.08617	0.7
85.02892	3.4
91.03937	1.8
91.05466	2.4
93.07043	2.1
95.04939	1.2
95.08628	1.2
97.02879	2.7
97.06537	0.9
97.10132	0.7
99.04460	0.8
101.02388	1.1
103.03970	0.4
105.07017	1.5
107.04945	0.6
107.08578	1.3
109.02888	0.6
109.06518	0.7
109.10139	0.7
111.04465	0.5
111.08082	0.3
117.07025	0.6
119.08548	1.5
121.06435	0.2
121.10178	0.8
123.08082	1.2
125.06019	0.4
125.09596	1.3
127.03931	0.9
129.05508	0.5
129.07007	0.4
131.08578	0.7
133.06496	0.5
133.10133	1.0
135.08072	0.5
135.11671	0.5
137.09598	0.6
143.07025	0.8
143.08543	0.4
145.10173	0.8
147.08101	0.8
147.11688	0.7
149.09685	0.6
153.09094	0.6
155.08488	0.3
159.11743	0.3
163.11191	0.4
165.09158	0.5
185.04254	0.8
210.32504	0.3
243.08405	3.5
257.21301	0.3
259.07932	0.3
261.44611	0.3
291.15796	0.3
301.09085	0.7
303.00058	0.2
313.09088	0.7
315.10571	0.8
321.16861	1.1
341.11996	0.4
349.19672	2.2
355.13821	0.3
357.15204	0.6
369.15479	0.3
373.11130	0.4
377.19421	0.7
383.16714	0.3
385.18661	0.3
405.22656	0.3
423.16483	0.4
429.17395	0.4
451.19626	0.5
469.16888	0.4
539.24548	7.1
540.24603	0.4
567.27661	3.3
611.27094	0.6
639.29895	1.3
681.34650	0.4
749.37372	0.9
795.37238	0.4
865.45428	100.0
866.45673	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	865.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	6.7
67.05498	4.0
69.03403	4.4
69.07066	1.3
70.36527	1.7
71.04981	0.9
72.24521	0.9
73.02916	5.8
79.05462	4.4
79.33110	0.8
81.03416	3.0
81.07037	4.1
83.01147	0.9
83.04964	1.4
83.08614	1.8
85.02898	4.6
91.03957	3.1
91.05437	4.8
93.07051	3.7
95.04955	1.9
95.08588	2.4
97.02894	4.9
99.04455	1.1
99.08081	1.8
101.02398	1.7
105.06995	1.6
107.08580	2.4
109.02898	1.6
109.06469	0.9
109.10168	2.4
111.04423	1.0
117.06966	0.9
119.08556	2.3
121.10140	2.3
127.03947	3.1
129.05434	4.5
131.08575	1.9
133.10138	1.6
145.04930	1.2
149.09610	1.7
159.11801	1.3
163.11250	0.8
181.04794	1.0
185.04288	2.5
199.06128	1.2
201.03658	1.0
243.08417	4.1
301.08881	8.3
305.17197	2.0
313.09015	1.2
315.10431	5.0
315.19568	0.8
331.18848	1.8
333.20456	4.8
341.11893	1.3
357.15176	9.3
371.17059	1.4
373.11194	2.6
385.18500	2.9
429.17319	2.0
441.17459	1.6
449.21405	1.6
487.30423	3.1
513.19543	3.9
523.24878	6.1
533.30780	1.9
541.26343	3.4
551.28149	11.1
555.27704	2.5
595.27301	3.3
597.28540	5.4
609.29315	1.0
623.30219	19.8
624.31067	1.4
637.32166	1.4
665.35052	2.8
666.35510	1.5
667.99255	1.0
707.36206	3.9
779.38019	1.7
847.44080	2.9
865.45654	100.0
866.45923	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	865.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	4.8
65.03922	0.5
67.05496	3.6
69.03409	2.9
69.07053	2.0
70.56374	0.6
70.56701	0.4
71.04975	1.2
73.02911	3.6
79.05473	2.5
81.03407	1.9
81.07048	5.3
81.98612	0.4
83.04984	1.1
85.02885	5.2
85.06526	0.5
91.03956	3.1
91.05469	2.8
93.07036	3.1
95.01078	0.5
95.04969	1.4
95.08602	2.6
96.01862	0.5
97.02884	4.1
97.06532	1.0
99.04455	0.8
101.02395	1.4
105.03374	2.6
105.07059	1.3
107.04936	0.4
107.08587	0.9
109.02825	0.6
109.06519	1.4
109.10155	2.6
115.03896	0.6
117.05502	0.6
117.07005	0.9
119.08546	2.2
121.10135	1.7
123.08104	0.6
127.03901	2.3
129.05490	2.1
129.06995	0.5
131.08574	0.9
133.10146	0.6
135.08081	0.6
135.11752	0.6
137.09644	1.5
139.11118	0.4
145.04999	0.6
147.11700	0.6
149.09645	1.2
151.07520	0.5
163.11266	0.6
173.11830	0.5
181.04628	0.9
185.04161	4.0
194.44695	0.4
195.06367	1.3
196.79100	0.5
199.06055	0.4
201.03722	1.6
203.05289	0.9
211.13335	0.7
223.09415	0.5
227.05327	0.8
241.06810	0.7
243.08363	5.7
259.07932	0.7
260.17664	0.5
260.20822	0.4
277.14264	1.0
301.08890	14.4
305.17105	3.6
313.09009	1.5
315.10419	5.2
317.08591	0.8
327.10623	0.6
329.12143	0.8
331.18765	3.9
333.20370	0.7
335.40863	0.5
339.40903	0.5
341.12125	1.5
343.13571	2.2
345.20184	0.7
355.13712	1.3
357.15112	2.1
361.19836	1.4
369.15463	1.2
373.11005	6.8
383.17038	0.5
385.18286	8.0
387.12726	0.5
395.16724	4.8
397.18369	2.2
401.14124	1.5
403.20938	1.6
415.15851	0.9
421.21991	2.1
425.17987	0.7
427.15652	1.1
429.17535	0.7
441.17087	3.1
449.21271	2.6
453.17282	1.1
455.18762	8.1
456.19547	1.4
457.20435	2.1
469.20496	1.1
484.23215	0.6
487.30673	0.7
497.23392	0.6
505.30984	0.6
506.36032	0.7
509.24536	0.5
511.25211	1.2
513.19855	2.0
514.20117	2.7
523.25104	14.9
524.25189	0.6
525.26654	1.0
526.27277	0.5
533.30951	1.5
539.21338	0.4
539.28442	4.2
540.29523	0.9
551.28296	0.8
553.22479	0.6
565.26392	1.7
567.28094	0.5
582.26251	5.5
583.27277	0.9
595.27087	7.6
595.35516	0.7
596.27722	0.7
597.28833	1.6
598.29144	1.9
609.28558	1.9
623.03436	0.5
623.30200	4.4
637.31976	2.1
649.35327	0.8
651.33795	0.5
665.34998	2.4
666.35779	4.0
667.36060	0.6
683.36237	1.2
695.35883	0.9
707.35974	5.5
708.35449	0.6
721.37109	0.7
737.37488	0.7
749.36694	0.8
779.38269	2.5
847.43542	2.9
848.44550	0.8
865.45282	100.0
866.47504	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	865.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.8
67.05486	2.3
69.03433	2.4
69.07070	1.8
73.02911	3.1
79.05482	2.1
81.03423	1.5
81.07059	4.6
82.22182	0.4
83.04966	0.9
83.08594	1.1
85.02908	3.9
87.04453	0.6
91.03952	3.2
91.05486	1.8
93.07048	2.0
95.04968	1.1
95.08619	1.5
97.02881	3.7
99.04486	0.7
99.08087	0.9
101.02367	1.4
103.03941	0.6
105.07047	1.7
107.05000	0.9
107.08605	2.0
109.02891	0.9
109.06545	0.9
109.10204	0.6
115.20612	0.5
119.08633	1.1
121.06541	0.7
121.10168	0.9
127.03934	1.6
129.05467	3.7
131.08560	1.0
133.10138	1.2
134.32356	0.5
135.08035	1.1
139.07562	0.6
145.10130	1.2
147.11780	0.7
149.09584	0.5
159.11678	0.6
163.11150	0.6
173.11766	0.7
177.08917	0.6
181.04865	0.6
185.04150	3.5
195.06313	0.5
201.03728	1.0
203.05275	0.9
243.08414	3.4
245.06609	0.5
249.11053	0.5
264.35294	0.5
301.08884	6.2
301.11807	0.6
305.17191	2.2
313.09030	1.1
315.10510	4.1
331.18915	1.6
333.20337	5.2
343.13519	0.5
349.16840	0.6
357.15094	8.0
371.16519	0.6
373.11002	2.4
373.23657	0.9
385.18469	2.8
389.23160	0.5
403.20944	0.7
411.16376	1.7
421.21902	0.8
429.17462	1.3
441.17361	1.4
443.19336	0.8
445.26004	1.1
449.21463	1.4
453.17401	0.8
457.20831	0.9
471.18088	3.0
485.23608	0.9
487.30334	3.1
513.18872	2.3
523.25085	6.2
525.26813	2.0
533.31042	2.2
539.28247	1.9
540.28815	0.6
551.28278	8.2
553.22693	0.9
555.27576	1.7
567.27325	1.1
582.26550	1.6
585.25421	0.5
594.33148	0.7
595.26996	2.3
597.28589	3.4
598.29401	2.0
609.28876	1.2
623.30267	14.9
624.30499	0.7
635.33264	0.6
637.31921	1.4
665.35364	2.7
666.35938	3.1
683.36224	0.9
707.36169	4.5
721.37512	0.8
749.37073	1.0
779.38275	2.1
847.44385	2.4
848.44720	0.9
865.44788	100.0
866.45746	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	866.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	1.0
61.92993	0.6
65.03939	3.0
67.05496	21.9
67.05862	1.2
69.03429	4.0
69.06702	0.8
69.07064	12.9
71.01340	0.7
71.04976	3.3
71.44623	1.1
72.05278	0.7
73.02894	1.2
79.05482	35.7
81.03402	4.9
81.07047	52.4
83.01339	1.8
83.04977	5.9
83.08603	9.0
85.02894	2.4
85.06541	1.4
91.05469	27.3
93.03406	1.2
93.07034	20.0
95.04955	11.0
95.08589	9.3
96.75552	0.5
97.02886	4.3
97.06510	4.0
97.10164	10.1
99.00813	2.0
99.04444	1.1
99.08089	1.4
103.05459	1.9
105.04500	1.6
105.07014	19.1
107.04935	14.1
107.07878	0.4
107.08575	17.3
109.02860	10.9
109.06504	19.9
109.10144	6.4
111.04400	3.5
111.08056	3.4
115.03913	0.6
115.05454	2.3
116.06299	0.7
117.07002	12.9
119.04938	2.6
119.08566	15.7
121.02864	2.0
121.06487	6.9
121.10124	4.8
123.04420	3.5
123.08047	4.9
123.11681	0.7
125.09608	7.9
127.03924	0.7
128.06213	2.7
129.06998	3.5
131.04976	0.8
131.08549	7.2
133.06438	3.2
133.10107	13.6
135.04453	1.4
135.08044	19.7
135.11696	2.7
137.05997	1.9
137.09592	6.7
139.07532	1.1
141.06953	1.5
143.08524	6.5
145.06462	6.1
145.10089	8.2
147.04350	0.8
147.08020	5.3
147.11682	2.4
149.05972	0.9
149.09598	3.7
151.07518	0.9
151.11168	3.9
151.96146	0.6
153.09070	4.1
153.12730	1.5
155.08546	2.8
157.10126	3.5
159.08026	8.2
159.11707	2.3
161.09607	11.7
161.13313	0.8
163.07545	9.3
163.11145	3.6
165.09093	1.9
168.09424	0.8
169.10112	2.6
171.08073	2.2
171.11623	1.3
173.09564	3.7
173.13295	1.8
175.11258	1.2
177.09126	2.0
177.80356	0.7
179.10660	8.1
183.11694	1.3
185.13197	0.7
187.11157	1.3
189.09193	3.4
189.11209	4.3
191.10715	2.5
193.12219	10.4
201.12758	0.9
207.10187	2.1
211.11171	0.9
215.17955	1.3
219.13745	0.8
221.11810	0.8
225.11209	1.5
225.16455	1.6
227.12769	3.5
233.18971	0.7
243.17392	9.3
253.15768	1.1
261.18427	6.1
267.15732	0.7
271.16882	8.8
289.17941	41.2
290.18387	1.7
307.18994	5.9
363.21613	55.4
364.22073	2.1
381.22650	37.3
382.23132	1.7
521.15747	0.8
521.23700	0.7
555.33374	0.9
571.33124	0.7
644.20233	0.7
651.38995	8.7
669.39862	100.0
670.39948	8.3
806.49677	1.6
866.40192	5.4
867.42090	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	867.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.8
65.03932	0.8
67.05499	7.3
69.03422	3.2
69.07058	3.5
70.62040	0.4
71.01353	0.8
71.04994	1.3
73.02901	3.0
79.05480	8.7
80.05842	0.7
81.03404	2.8
81.06313	0.6
81.07049	14.6
82.07413	1.0
83.04990	1.8
83.08617	1.8
85.02888	3.8
88.13538	0.5
91.03970	1.6
91.05475	5.5
92.05803	0.6
93.07043	6.3
93.56860	0.4
94.07371	0.5
95.04951	4.0
95.08594	5.1
97.02883	3.9
97.06547	1.3
97.10167	2.3
99.04482	0.7
101.02410	1.1
105.07015	4.9
107.04952	2.5
107.08582	4.1
109.02880	1.2
109.06502	4.2
109.10126	2.4
111.04457	0.8
111.08107	0.6
117.07042	1.8
118.07409	0.6
119.08561	4.7
120.08911	0.8
121.06525	1.4
121.10126	2.8
123.04461	0.5
123.08055	2.5
125.09624	1.7
127.03963	1.6
129.07033	1.0
131.08513	2.8
133.06458	0.8
133.10143	2.5
135.08055	3.2
135.11687	0.9
137.09636	2.0
143.08568	1.2
145.06514	0.6
145.10110	2.7
147.08063	1.0
147.11671	0.8
149.09708	1.1
149.13133	0.5
155.08563	0.7
157.10161	0.8
159.08130	1.4
159.11705	0.8
161.09669	1.1
163.07538	0.7
163.11227	0.9
170.62440	0.5
179.10686	1.2
185.04324	0.6
187.11290	0.7
191.10725	0.7
193.12354	1.0
202.25764	0.5
227.12880	0.8
243.08377	4.0
243.17493	1.0
261.18777	0.6
271.16922	0.9
273.18530	1.0
275.16138	0.6
275.19910	0.5
289.17905	4.5
289.79977	0.5
290.18494	2.0
291.19604	0.6
305.17249	1.9
307.19162	0.6
315.10648	0.7
331.15530	0.5
331.18912	2.4
361.19867	0.8
363.21686	4.2
364.21936	2.2
381.22711	3.1
382.23154	1.9
395.16669	0.8
397.18057	0.6
453.17398	0.8
523.24945	8.3
549.26862	2.5
585.24414	2.3
652.39081	1.7
653.40942	0.6
669.40027	2.0
670.40210	8.1
671.40955	1.1
691.58856	0.5
831.44989	1.7
867.42462	100.0
868.42743	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	867.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.7
65.03938	0.6
67.05492	3.8
69.03424	2.9
69.07056	3.1
69.93473	0.4
71.04999	0.8
73.02900	2.5
74.21106	0.4
76.69121	0.4
79.05486	7.9
81.03419	3.2
81.06561	0.7
81.07046	14.5
82.07416	0.4
83.04991	1.4
83.08623	2.8
85.02893	3.4
89.48050	0.4
91.03960	1.3
91.05460	5.7
93.07030	5.4
94.07420	0.5
95.04961	2.7
95.08610	3.2
97.02879	3.5
97.06545	1.0
97.10178	1.1
99.04450	1.1
101.02398	1.3
105.07013	4.1
107.04934	2.7
107.08569	4.4
109.02895	0.9
109.06508	6.9
109.10177	1.8
111.04441	1.4
115.05447	0.5
117.07006	2.7
119.08548	3.3
121.06501	1.3
121.10142	2.3
123.04383	0.4
123.08070	1.3
125.09671	1.3
127.03909	1.0
129.07030	1.2
131.08543	2.3
133.06509	0.5
133.10118	2.4
135.08028	2.7
135.11713	1.2
137.09650	0.7
139.07513	0.4
143.08546	0.9
145.06401	0.5
145.10097	1.9
147.08093	0.9
147.11699	0.8
149.09605	2.2
149.91798	0.5
151.11176	0.5
153.09154	0.5
155.08551	0.4
157.10094	0.6
159.08057	0.9
159.11615	0.5
161.09650	1.4
163.07526	0.4
163.11218	1.6
173.13263	0.7
227.12697	0.8
243.08340	3.2
255.17969	0.4
273.18481	2.1
275.19995	0.6
289.18027	1.3
291.19562	1.4
303.15689	0.7
305.17319	1.0
323.29550	0.4
331.18768	0.9
333.20346	1.0
347.22256	1.7
363.21817	0.5
365.23123	1.0
381.22647	1.5
382.23102	0.6
387.21600	0.5
389.23328	0.5
411.88974	0.4
521.23486	3.6
523.25116	4.2
549.26636	1.7
551.28436	2.3
552.29089	0.4
557.21112	1.0
585.24127	0.6
653.39893	2.0
669.39728	0.7
670.40216	2.2
671.41376	1.3
831.44690	1.3
867.42407	100.0
868.42755	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	868.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.8
65.68752	0.2
67.05488	0.3
69.03416	1.5
70.01650	0.4
70.06582	0.2
71.01390	0.2
71.04946	0.2
72.08136	0.2
75.04476	0.8
79.05479	0.3
80.04995	0.2
81.03387	0.7
82.06557	0.2
83.04974	0.2
84.08115	0.3
85.02870	0.8
86.06036	0.2
88.07610	0.4
91.05477	1.0
93.03410	0.3
94.06577	0.2
95.04952	0.4
96.08086	0.5
97.02876	1.0
97.06494	0.2
98.06017	0.2
98.09655	0.3
99.04442	0.4
102.09140	0.2
103.05499	0.4
105.07040	1.0
107.04939	0.3
108.08112	1.2
109.02863	0.5
110.09635	0.4
111.04427	3.3
112.07596	0.2
112.11221	0.2
115.05438	0.5
117.06995	0.5
119.04925	0.5
120.08080	0.3
121.02850	100.0
121.03857	4.1
121.08858	0.4
122.03139	1.1
122.09641	1.2
123.04379	0.3
125.06062	0.2
127.03901	1.4
128.06184	0.5
129.07001	0.9
131.04892	0.4
131.08548	0.2
132.08041	0.3
133.02824	0.3
133.06503	0.4
134.09644	0.4
135.04419	0.2
136.07547	0.2
137.02345	1.6
137.03276	0.2
137.06006	0.8
138.09129	0.4
139.03883	0.6
140.10689	0.4
141.06989	0.4
143.07341	0.2
143.08514	0.4
145.02817	0.4
145.06480	0.7
145.08858	0.4
146.06061	0.2
146.09604	0.8
147.04378	0.4
147.08018	0.3
148.07465	0.2
148.11145	0.2
149.05972	0.4
150.09117	0.2
152.10664	1.1
153.06967	0.4
155.08534	0.4
157.06459	0.2
158.09596	0.9
159.08055	0.3
159.10426	0.3
160.11182	0.7
161.05870	0.3
162.09126	0.4
163.03867	0.2
163.07550	0.3
164.10704	0.5
165.07021	0.4
167.07188	0.2
167.08568	0.6
169.06561	0.2
171.08035	0.5
172.11171	0.6
174.09103	1.4
175.07498	0.2
176.10727	0.5
177.05469	1.1
178.07796	0.4
178.12201	0.4
179.07170	0.2
179.08521	1.2
181.06502	0.4
181.10176	0.2
183.08063	0.2
184.11227	0.6
185.05902	0.2
185.09584	0.3
187.07562	0.3
188.07086	0.3
188.10716	0.3
190.08655	0.2
191.08534	0.7
192.09392	0.2
193.10164	0.6
194.07169	0.2
195.08133	0.5
196.11203	0.3
197.09599	0.4
198.09135	0.2
200.10686	0.4
202.07773	0.4
202.12329	0.5
203.08604	0.6
204.09824	0.2
205.06578	0.2
205.10162	0.6
207.08116	0.9
208.11266	0.2
209.09641	0.6
212.10727	0.2
218.07329	0.3
219.08092	0.5
220.08838	0.4
221.09666	0.8
222.12814	0.2
223.07596	0.5
223.11151	0.4
225.09174	0.4
226.12234	0.3
231.08127	0.6
232.08888	0.2
233.09642	0.6
234.06766	0.2
234.14871	0.4
235.07526	0.7
235.11179	0.4
236.12762	0.7
237.09105	0.7
237.11255	0.2
238.09888	0.2
238.12360	0.3
239.10681	0.4
247.07635	0.3
249.09206	0.9
250.12398	0.2
251.10622	0.5
252.13644	0.2
253.08676	0.3
253.12123	0.2
254.11740	0.2
256.13297	0.2
261.09192	0.3
262.12366	0.3
263.10718	0.3
264.13864	0.4
265.08554	0.2
265.12134	0.2
266.11389	0.2
267.10159	0.5
268.13373	0.3
277.08408	0.4
278.15439	0.2
279.10092	0.2
280.13379	0.2
281.11835	0.2
288.13785	0.2
290.11676	0.2
292.13440	0.5
294.14920	0.3
296.16351	0.3
304.13376	0.2
306.14658	0.4
309.11285	0.2
310.14291	0.3
312.15823	0.3
324.15881	0.4
334.14383	0.2
338.17581	0.2
342.17044	0.2
343.90106	0.2
352.15381	0.2
356.18588	0.5
360.22086	0.2
366.16989	0.6
370.20209	0.5
371.68100	0.2
384.18127	0.4
388.21240	0.6
388.33075	0.2
398.19736	0.3
416.20697	0.4
426.19113	0.4
430.22314	0.6
448.23373	0.3
504.19989	0.4
508.23657	0.7
526.24396	0.4
536.22974	1.2
554.23615	0.4
568.25104	1.4
586.26550	1.4
596.24677	0.2
628.27008	0.9
646.28577	0.6
649.62225	0.2
670.28503	0.2
706.30780	0.6
716.28369	0.2
730.30194	0.8
748.31543	0.5
790.32477	0.7
808.33618	3.0
809.34576	0.3
841.75598	0.2
868.35809	56.5
869.36053	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	868.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.3
61.69390	0.5
65.03928	0.9
67.05494	13.3
69.03422	3.3
69.07059	3.3
69.98923	1.0
69.99255	0.9
71.01344	1.5
71.04995	3.2
73.02917	3.1
79.05478	12.2
81.03404	31.7
81.07043	16.4
83.04966	8.9
83.08605	16.2
83.09092	1.0
85.02891	15.9
85.06538	1.9
87.04458	0.7
91.03956	3.5
91.05467	22.8
93.07030	14.5
95.04951	15.1
95.08588	6.2
97.02882	7.1
97.06512	3.1
97.10149	2.8
98.23392	0.8
99.00792	7.5
99.01330	0.7
99.04446	1.4
99.08086	1.2
102.79846	0.6
103.05476	1.3
105.03402	0.7
105.07017	15.1
106.07376	0.7
107.04945	6.0
107.08569	6.3
109.02857	6.4
109.06480	3.0
109.10138	4.8
111.04433	1.7
111.08064	8.2
113.06043	1.1
115.03939	1.2
115.05459	0.9
117.07014	2.6
119.04915	0.9
119.08553	12.4
121.06473	4.6
121.10130	4.0
123.04403	0.9
123.08081	2.4
123.11704	2.0
124.45911	0.6
125.09624	1.1
127.03925	2.7
128.06218	1.2
129.07001	6.2
129.21346	0.6
131.08548	6.0
133.06503	1.9
133.10109	21.6
135.08073	0.7
135.11693	2.1
137.05971	1.4
137.09641	1.1
139.07535	2.1
140.07188	0.7
142.07797	1.3
143.08546	2.5
145.04932	1.6
145.10126	2.2
147.08018	2.1
147.11670	6.3
149.09575	3.2
151.11145	5.6
157.10126	6.2
161.09604	10.3
163.05974	1.7
163.11200	2.6
165.12759	1.6
171.08058	1.1
175.11163	7.8
177.05499	1.6
179.09276	1.0
179.10617	4.9
189.09059	4.8
193.12215	21.0
193.13962	1.2
194.12570	0.8
197.11638	1.3
198.25676	0.6
207.10103	1.1
211.13257	33.5
219.13841	0.7
225.11208	5.1
227.12796	1.8
243.12210	1.1
246.45483	0.6
265.14413	1.8
267.15872	13.9
281.13898	2.4
283.15448	3.1
285.16913	30.4
286.17365	1.2
299.14853	38.3
300.15198	1.6
301.16388	1.3
324.61368	0.6
399.21564	0.8
445.25665	1.1
463.26831	1.0
473.25391	3.5
474.26062	0.7
491.26346	18.4
491.33401	1.1
492.26535	1.1
509.27393	100.0
510.27536	5.1
588.62445	0.6
646.91284	0.6
653.80609	0.7
686.01770	0.6
734.61914	0.7
738.51526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	14.0
65.03894	1.7
67.05494	25.6
69.03423	6.8
69.07058	6.7
71.01311	2.1
71.04976	4.3
71.08572	0.6
71.44283	0.9
73.02908	7.0
77.03892	0.8
79.05479	27.1
80.06236	1.3
81.03406	22.1
81.07043	27.1
82.04177	3.4
83.01332	7.7
83.04969	18.1
83.08131	0.9
83.08606	15.9
84.02061	2.0
84.05742	0.7
85.02418	1.2
85.02892	18.9
85.06506	1.7
87.04433	1.4
87.61097	0.6
91.03448	0.8
91.03941	9.3
91.05463	20.7
93.07032	28.4
94.04133	1.1
95.04954	20.8
95.08591	10.7
96.05745	0.9
97.02879	12.2
97.06516	8.7
97.10152	11.7
98.07287	5.8
99.04436	3.1
99.08057	1.0
101.05981	0.8
105.04465	2.0
105.06360	0.8
105.07016	14.1
107.04259	0.8
107.04941	11.9
107.08578	19.0
109.02844	1.7
109.06508	9.2
109.09535	0.6
109.10144	7.7
110.07209	0.7
111.04431	4.4
111.08052	4.0
111.15400	0.7
111.83607	0.6
113.05895	0.8
115.03866	0.7
115.05404	1.1
116.04695	10.2
117.05438	0.7
117.06997	8.2
119.07764	0.6
119.08564	11.9
121.02831	0.7
121.05746	0.6
121.06483	4.8
121.10118	10.0
123.04387	1.9
123.08051	12.1
125.05941	2.0
125.09608	13.5
127.03915	3.3
127.11146	1.4
128.06178	1.4
129.05458	23.8
129.06862	3.1
130.07802	1.0
131.04883	0.9
131.07745	0.7
131.08546	6.0
133.06415	0.7
133.10106	6.2
135.08089	3.3
135.11667	15.0
137.05907	0.9
137.09615	3.3
139.07497	1.5
143.06995	6.2
143.08099	0.6
143.08571	1.0
143.10620	1.0
145.04916	4.2
145.06390	1.9
145.10106	17.0
147.08037	3.9
147.11658	4.1
149.05930	1.0
149.09625	3.0
151.07552	0.7
151.11061	0.7
153.09016	2.0
153.12703	4.5
155.08510	1.6
157.08548	12.8
157.10051	4.0
158.05721	1.7
161.06020	0.8
163.05991	4.4
163.09753	1.3
163.11154	26.5
164.11827	0.7
165.12724	1.3
167.06953	1.1
171.06458	2.1
171.10143	4.1
173.09557	4.1
173.11732	1.4
175.11134	1.9
177.05360	0.9
179.10669	0.9
181.04918	1.0
181.12219	4.7
185.08104	0.7
185.11617	1.2
189.11192	7.7
191.10623	4.5
193.10455	0.5
193.12180	3.5
199.13274	6.7
200.14035	1.9
201.14772	1.0
209.11676	11.2
210.12378	1.8
211.09671	0.7
211.13245	1.4
213.49753	0.7
227.12711	15.6
228.13264	0.7
229.14262	1.6
255.15877	1.9
265.14316	1.8
267.15881	8.0
283.15350	90.0
284.15863	4.3
294.13199	0.7
295.15488	0.7
299.14734	1.1
301.16397	68.0
302.16818	1.4
317.15845	1.1
319.34909	0.7
337.16443	3.7
351.17972	0.8
365.19577	1.9
383.22250	1.5
386.19177	0.6
407.24213	1.9
425.25198	3.8
436.24442	1.0
437.25262	9.8
457.25586	3.6
474.26132	2.3
475.26810	10.6
491.26248	7.2
492.26987	8.9
493.27707	1.9
509.27386	100.0
510.27716	5.9
527.28137	1.2
541.90625	0.6
553.26392	0.7
653.31342	0.6
754.58978	0.7
811.00568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.504
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.4
61.42730	1.2
65.03934	3.1
66.17652	1.2
67.05498	38.3
69.03422	11.5
69.07057	38.9
70.06561	1.2
70.07395	1.3
71.01340	2.1
71.04993	3.7
71.08624	1.8
73.02903	2.9
79.02953	1.0
79.05486	44.8
81.03413	11.7
81.07044	53.5
83.04966	11.4
83.08609	19.8
85.02898	4.7
85.06538	3.0
91.03966	1.5
91.05469	34.5
93.07030	32.2
95.01335	2.1
95.04963	20.0
95.08591	17.3
97.02893	12.2
97.06511	8.4
97.10157	20.5
98.54128	1.3
99.00790	1.2
99.04444	1.6
99.08099	1.5
103.05456	1.5
105.03387	1.3
105.04516	2.1
105.07015	26.0
107.04937	16.7
107.08579	22.6
109.02863	4.6
109.06509	14.8
109.10133	13.1
111.04446	4.5
111.08072	5.5
115.05441	3.5
117.07002	14.0
119.04917	1.4
119.08566	24.1
121.06480	9.3
121.10162	7.7
123.04405	5.1
123.08082	6.5
123.11720	2.4
125.09617	15.6
127.03909	3.2
127.31609	1.4
128.06218	2.0
129.06969	6.8
131.08534	12.4
133.06505	6.0
133.10112	14.9
135.04477	1.5
135.08038	13.3
135.11697	5.1
137.06012	2.4
137.09572	6.5
141.06903	1.6
143.08565	9.1
145.06467	4.9
145.10123	9.3
147.08035	9.3
147.11694	5.7
149.05975	1.5
149.09630	5.0
149.13223	1.9
151.07578	1.4
151.11172	4.0
153.09074	2.9
153.12701	2.8
155.08577	2.2
157.10141	4.3
159.08078	5.0
159.11685	4.9
161.09615	10.8
162.08786	1.3
162.10323	1.4
163.07506	5.7
163.11194	6.3
165.09088	3.6
165.12782	2.0
169.10135	2.2
171.11656	2.1
173.09608	3.1
173.13260	1.5
175.11140	4.9
177.12639	1.3
179.10672	4.0
181.12210	2.4
183.11676	1.4
185.13367	1.5
189.11267	7.3
191.10638	2.6
193.12225	16.1
195.13792	1.4
199.11142	2.3
205.12259	1.9
206.93753	1.5
223.13297	18.4
227.12706	8.2
243.17471	2.2
243.95882	1.4
245.19086	2.1
249.14903	3.3
253.14238	1.8
255.17188	1.6
261.18454	2.8
271.16855	4.8
273.18433	19.7
275.20020	3.5
283.15164	2.6
287.16422	1.5
289.17932	21.4
290.18317	1.4
291.19504	100.0
292.19849	3.3
305.17639	1.7
307.18964	5.4
347.22125	5.4
349.23721	2.7
363.21536	8.4
365.23175	50.5
367.24530	1.5
379.20758	2.6
381.22665	57.9
382.22992	2.7
533.30756	1.9
551.31500	1.6
573.33984	3.0
597.37531	3.7
653.40466	12.9
671.41418	87.4
672.42004	6.4
823.80359	1.5
832.45343	1.5
868.42615	30.7
869.42877	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	868.504
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	3.7
66.68265	1.0
67.05495	39.9
69.03414	4.3
69.07061	13.2
71.04979	5.4
79.05480	64.2
81.03400	9.4
81.07043	100.0
82.07374	1.3
83.01336	1.1
83.04970	10.3
83.08605	13.0
85.02883	3.2
85.06530	3.2
91.05463	37.7
93.07030	37.7
95.04949	21.2
95.08591	20.2
97.02866	4.1
97.06504	5.1
97.09579	1.6
97.10157	16.9
98.23495	2.4
99.04431	2.6
99.08085	1.6
101.10426	0.9
103.05433	1.3
105.03426	1.1
105.04515	2.6
105.07018	27.4
107.04938	23.2
107.08577	27.3
109.02856	10.5
109.06500	33.3
109.10139	11.1
111.04425	7.9
111.08062	6.5
113.06056	1.2
115.05439	4.1
117.07001	18.2
119.04910	2.9
119.08562	32.0
121.02849	2.3
121.06494	11.0
121.10130	10.2
123.04412	3.8
123.08051	16.9
123.11691	1.5
125.06001	1.3
125.09608	18.0
128.06207	3.4
129.06975	10.0
130.07713	1.3
131.04956	1.4
131.08543	15.6
133.06453	5.5
133.10106	17.3
135.04361	1.9
135.08035	23.9
135.11662	6.3
137.05930	1.5
137.09618	8.5
141.06946	3.2
142.07802	1.9
143.08543	10.5
145.06482	8.0
145.10107	17.0
147.08014	10.5
147.11652	6.0
149.09555	8.5
149.13205	2.1
149.40088	1.0
151.07500	1.6
151.11169	3.3
153.09035	5.2
153.12735	3.9
155.08501	4.3
157.06453	2.1
157.10083	7.4
159.08006	10.3
159.11667	4.7
161.09618	17.0
161.13232	1.9
163.07512	9.0
163.11154	14.7
165.09096	4.6
167.08568	2.1
169.10092	3.4
171.08022	2.3
171.10323	1.0
171.11713	4.1
173.09512	6.2
173.11835	1.4
173.13219	2.4
175.11147	5.3
177.09113	2.5
177.12712	2.9
179.10634	10.9
181.12180	4.2
183.11699	3.0
185.09651	2.8
185.13219	2.9
187.11168	2.3
189.09117	3.9
189.11179	9.1
189.12732	2.6
191.10658	5.6
193.12234	2.0
205.12221	1.2
207.10210	2.4
209.11577	1.3
211.11140	1.8
211.14903	1.1
219.13853	1.3
223.13235	3.5
225.16245	1.5
227.12746	16.3
227.17863	1.9
237.16238	1.6
243.17459	10.6
245.18921	3.4
249.14705	1.4
255.17493	2.1
261.18515	6.4
271.16904	11.7
273.18454	25.1
282.09680	1.1
283.15381	3.6
289.17932	35.4
291.19516	42.6
292.19803	1.3
307.18976	3.4
309.20554	3.9
329.21280	1.3
345.20273	1.2
347.22058	11.4
363.21579	67.2
364.22192	1.2
365.23206	28.6
383.24182	10.2
409.27313	1.6
511.30392	1.4
527.33575	2.2
529.31281	2.9
533.30542	1.8
542.71729	1.0
557.34546	1.5
561.34601	1.1
571.32648	1.8
579.36865	2.7
581.35968	1.4
589.33478	2.2
617.37817	1.9
635.39429	21.3
653.40326	68.7
654.40887	6.4
671.41431	27.3
672.42261	1.7
833.46124	1.3
868.42255	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42188	0.1
69.03419	13.8
69.17704	0.5
69.18116	0.2
70.06578	0.3
81.03403	1.6
85.02892	0.6
97.02878	100.0
98.03239	0.9
103.03915	0.2
103.83327	0.1
106.16119	0.1
109.02859	3.8
115.03902	0.6
116.37044	0.1
121.02854	0.4
127.03905	1.5
128.64865	0.1
137.02367	0.2
139.03877	26.6
140.04230	0.3
153.01855	0.1
157.04941	12.2
158.05177	0.2
165.01767	0.2
169.04977	0.8
177.05452	0.3
187.05977	0.2
188.63066	0.2
199.05974	4.1
200.06349	0.1
229.06943	0.4
231.06444	0.1
247.08131	0.2
259.08087	0.7
287.05457	11.3
288.05789	0.4
289.08914	0.2
294.12265	0.3
299.05365	0.3
325.14203	0.3
337.07056	0.2
365.06320	0.7
383.07547	0.2
421.10056	0.2
432.20648	0.1
449.10715	1.2
545.12421	0.4
678.57086	0.2
710.56622	0.2
759.20660	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	869.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.1
67.05484	0.2
68.99783	0.2
69.03423	4.1
70.06579	0.5
70.56307	0.3
71.01329	0.3
71.04974	1.4
73.02906	6.0
81.03404	34.3
81.06969	0.2
82.03719	0.3
83.01312	0.6
85.02893	4.5
91.05463	0.3
96.08150	0.2
97.02879	20.5
97.06516	0.2
99.04438	4.7
103.03920	1.8
109.02863	100.0
110.03188	0.8
112.07550	0.2
115.03922	2.3
121.02843	0.9
121.10165	0.2
127.03896	38.1
128.04250	0.3
133.04936	0.3
137.05943	0.3
139.03893	4.8
141.05440	0.4
145.02863	0.3
145.04947	1.0
147.04411	0.3
153.01781	1.3
157.04968	0.6
165.01801	0.5
166.08652	0.3
169.04938	14.5
170.05276	0.2
177.05463	0.9
183.02881	0.2
187.05991	2.9
206.04488	0.3
207.06602	0.2
211.05978	0.5
213.05467	0.5
220.93526	0.2
229.07033	31.4
230.07451	0.5
258.05182	0.3
287.05453	41.7
288.05670	1.2
289.09131	11.1
343.96634	0.2
395.07391	0.4
449.04883	0.3
449.10730	4.7
450.10858	0.2
516.16595	0.2
522.27020	0.2
575.13287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.0
67.05155	2.1
67.05494	29.4
69.03409	4.1
69.07054	8.6
71.01338	1.3
71.04974	1.8
79.05480	40.7
79.51065	0.9
80.05821	1.2
81.03410	7.4
81.07044	100.0
83.04971	9.6
83.08613	8.9
85.02888	4.6
91.04929	2.1
91.05467	25.7
93.07033	23.7
95.04951	18.1
95.08589	10.9
97.02882	3.4
97.06532	5.8
97.10151	9.7
98.22590	2.4
99.04409	1.8
103.05455	1.1
105.03351	1.6
105.04494	2.2
105.07019	14.7
107.04949	10.0
107.08576	14.6
109.02843	1.5
109.06501	49.7
109.10144	11.7
111.04437	7.3
111.08079	4.7
115.05407	1.4
116.04690	1.1
117.07001	10.7
119.04874	1.1
119.08572	21.8
121.06489	7.4
121.10144	6.6
122.07210	1.4
123.04409	2.3
123.08047	5.8
125.06018	1.1
125.09621	8.3
127.07681	1.2
127.11150	0.9
128.06180	1.9
129.05489	6.0
129.06987	7.4
131.08549	8.9
133.06502	4.7
133.10124	6.1
135.08020	7.8
135.11676	4.6
137.09575	7.4
143.07089	1.4
143.08548	4.9
145.06487	2.9
145.10086	11.0
147.08023	12.0
147.11674	3.9
149.09578	8.2
151.07462	1.5
153.09082	1.1
153.12793	1.4
155.08496	1.2
155.10612	1.5
157.08575	3.4
157.10095	5.5
159.08015	2.7
159.11694	4.0
161.09587	11.3
161.13286	1.3
163.07555	2.0
163.11124	6.9
165.09106	4.5
169.10120	1.6
171.10219	1.3
171.11656	3.6
173.09578	2.4
173.11746	2.3
173.13104	1.2
175.11168	3.4
176.74449	1.0
181.12202	2.6
183.10033	1.2
183.11673	1.7
185.13243	2.6
186.39581	1.0
187.11070	1.1
189.11224	4.8
191.10657	1.8
193.12254	2.5
209.11649	1.5
221.11682	2.1
223.13284	3.5
227.12756	3.9
227.17917	2.1
229.14302	3.6
239.12862	1.0
244.91374	1.0
245.18922	2.0
249.14809	4.0
255.17355	3.1
271.16965	1.5
273.18463	27.6
274.18918	1.0
274.62073	1.0
275.19827	2.3
283.15207	1.1
289.17935	3.9
291.19498	67.8
292.19885	2.9
307.19016	1.0
309.20547	1.4
347.22028	9.7
348.78799	1.2
363.21588	2.3
364.21851	1.1
365.23175	17.2
381.22556	4.2
399.23666	8.6
405.13266	1.4
519.32416	2.0
637.40521	4.0
653.40778	1.7
655.41736	5.6
671.40936	4.0
689.42487	6.8
708.69830	1.1
785.03137	1.2
869.44647	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	870.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78086	0.3
65.03925	0.4
69.01070	0.3
69.03421	1.5
69.78489	1.0
70.06558	0.5
71.04963	0.3
74.06061	0.4
75.04452	1.1
79.05438	0.3
81.03403	3.9
82.06536	0.3
84.59876	0.3
85.02888	1.3
87.04462	0.3
88.07612	0.5
88.68650	0.2
91.05474	1.3
94.06533	1.5
95.04950	0.5
95.07291	0.3
96.08109	0.7
96.89820	0.3
97.02876	1.0
98.55804	0.3
99.04436	0.5
103.05464	0.4
105.07012	0.9
107.01305	0.6
107.04919	0.4
107.07313	0.5
108.08099	1.5
109.02878	1.3
109.06484	0.4
110.06009	0.3
111.04414	0.5
115.05448	0.7
117.07015	0.6
120.08120	0.7
121.06483	0.5
124.07588	0.6
127.03901	2.7
128.06161	0.6
129.06989	1.2
131.04895	0.6
131.07292	0.4
132.08032	0.9
133.02826	0.4
133.06459	0.4
134.09660	0.4
135.08109	0.4
136.07524	0.4
137.02332	100.0
137.03410	7.2
138.02673	1.3
138.09137	1.3
141.06999	0.4
143.08476	0.4
144.08054	1.5
145.02824	0.3
145.06482	0.8
146.09654	1.1
147.04417	0.9
147.08043	0.5
149.06006	0.3
152.06190	0.4
153.07027	0.5
155.03329	0.6
157.08759	0.3
158.09636	0.6
160.07529	1.6
161.06007	0.7
162.09151	0.7
163.03935	0.3
164.10738	0.6
165.07013	0.7
166.07657	0.3
167.08548	0.5
170.09630	0.8
172.07565	0.3
174.05496	0.3
176.10759	0.6
177.05421	0.8
178.07773	0.7
179.08597	1.2
181.06471	0.5
181.10149	0.4
183.08105	0.4
186.09021	0.6
187.07562	0.3
188.07094	0.8
188.10741	0.5
190.07899	0.3
191.08600	0.6
193.10135	1.2
194.07239	0.4
195.08119	0.8
195.11815	0.3
200.10664	0.4
203.08524	0.7
205.10167	1.2
206.07384	0.3
207.07962	1.5
208.08932	0.5
208.11189	0.4
209.09639	0.9
214.12213	0.4
215.08501	0.5
219.08076	0.6
220.09082	0.7
221.09538	1.8
222.11218	1.1
223.07684	0.3
223.11246	0.3
224.10632	0.4
225.09164	0.6
231.08070	0.6
232.08934	0.4
232.11209	0.4
233.09666	0.9
234.06874	0.4
235.07596	0.9
236.10660	0.5
237.09175	1.2
238.09895	0.4
238.12244	0.5
239.10649	0.8
246.12868	0.4
247.07629	0.4
248.10641	0.5
249.09178	1.1
250.12308	0.6
251.10721	0.7
251.13153	0.3
253.08664	0.4
253.12321	0.6
261.09158	0.6
263.10782	0.4
265.08542	0.4
266.11945	0.5
267.10242	0.8
277.08655	0.8
278.11877	0.8
280.13361	0.7
281.11777	0.8
292.13416	0.5
298.14285	0.3
309.11246	0.4
310.14429	0.6
317.95126	0.3
320.12686	0.5
322.14514	0.4
324.16043	0.6
342.17050	0.5
352.15460	0.8
356.18750	0.4
370.16339	0.8
374.19730	0.8
384.18225	0.8
402.19238	1.0
412.17606	0.5
416.20432	0.8
434.21768	1.0
440.11789	0.3
452.23044	0.8
462.21027	0.5
506.18250	0.5
528.22095	1.0
538.20776	2.9
570.23419	2.3
588.24274	2.8
598.22992	0.4
630.25049	1.5
648.26886	0.9
700.24939	0.5
708.18433	0.4
708.28186	1.5
732.28687	0.4
792.31110	1.1
810.31702	4.1
870.33740	75.9
871.34052	6.2
889.75946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	14.6
65.03952	3.4
65.81512	1.7
67.05499	53.9
67.54108	2.1
69.03423	11.0
69.07066	15.5
69.44525	9.1
71.01349	2.4
71.04987	6.1
73.02914	8.5
79.05485	44.1
81.03407	98.0
81.07047	48.5
81.07497	3.7
82.04187	3.9
82.15334	1.9
83.04968	28.2
83.08605	34.4
85.02894	42.6
85.06557	4.6
91.03941	11.8
91.05471	50.2
91.30157	2.0
93.07034	33.3
94.04237	2.0
95.04339	2.4
95.04955	51.6
95.05523	3.5
95.08576	24.6
97.02885	21.8
97.06508	9.9
97.10160	21.5
97.93296	1.7
98.07302	5.6
99.04463	2.8
99.08118	2.0
103.05526	1.8
105.04511	3.1
105.07014	34.1
107.04943	17.4
107.08587	21.4
109.02880	5.4
109.06537	8.3
109.10133	16.0
111.04439	7.3
111.08067	20.7
111.08765	3.1
113.05990	4.1
115.05480	2.7
116.04716	10.8
117.07033	6.1
119.08550	29.9
120.48739	2.0
121.02921	2.0
121.06528	4.8
121.10093	17.1
123.08081	8.4
123.11720	2.2
125.09641	17.6
127.03905	5.8
129.05481	25.0
129.06989	18.1
131.08546	21.0
133.06439	5.1
133.10127	18.2
135.08043	2.5
135.11678	5.6
137.09608	4.8
142.07744	4.7
143.07039	5.7
145.04874	3.3
145.10103	6.3
147.04362	2.2
147.08078	4.6
147.11676	28.2
149.09624	11.3
153.09152	3.3
153.12740	5.3
157.08598	12.6
157.10138	21.1
158.05725	3.1
163.06041	3.0
163.11153	14.5
165.12749	4.5
171.06552	2.7
171.10185	3.6
173.09584	3.2
173.11749	8.7
175.11169	20.9
181.12164	2.8
185.08047	2.8
189.11246	10.1
191.10648	5.1
193.12216	74.1
193.13959	4.0
199.13249	17.8
209.11742	12.6
211.13269	100.0
227.12772	14.9
229.14305	6.6
247.13306	4.0
255.15938	2.7
265.14319	2.2
267.15891	35.5
283.15323	20.1
285.16931	67.3
301.16446	60.3
339.18021	3.5
383.78244	2.3
409.25830	4.9
427.26947	7.5
439.26816	24.9
459.27237	5.3
475.26779	5.0
476.27432	2.4
477.28314	5.2
493.27905	28.3
494.28589	6.8
511.28955	70.3
791.44977	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.8
65.03923	4.7
67.05495	57.6
69.03425	6.1
69.07056	36.4
69.50365	4.3
71.04983	5.7
77.03913	2.3
79.05480	54.4
79.89409	1.1
81.03400	12.9
81.07044	66.5
83.04970	14.2
83.08604	39.7
85.02890	3.7
85.06544	3.0
91.05466	58.2
93.07028	51.1
95.04951	31.2
95.08586	32.3
96.18149	1.2
96.28507	1.2
97.02881	3.5
97.06511	13.5
97.10152	13.2
99.00805	2.5
99.08075	2.7
103.05448	2.0
105.04503	4.0
105.07011	49.8
107.04937	21.1
107.08580	39.6
109.02860	6.0
109.06504	14.0
109.10133	20.1
111.04422	5.1
111.08061	8.6
113.06027	1.5
115.05431	3.0
117.06993	21.5
119.04948	1.7
119.08565	40.8
121.02801	1.4
121.06475	13.6
121.10126	23.4
123.04415	4.6
123.08055	8.6
123.11668	5.1
125.09612	14.3
127.03929	1.6
128.06210	3.4
129.06955	7.9
130.07823	2.3
131.04994	1.5
131.08542	22.4
133.06461	4.5
133.10107	36.2
135.08037	18.0
135.11662	12.2
137.05963	1.8
137.09622	11.3
139.07549	2.1
141.04137	1.2
141.07001	3.3
143.08556	9.3
145.06448	4.3
145.10086	24.8
147.08025	8.4
147.11664	15.9
149.09592	25.6
149.13232	1.9
151.11143	9.4
153.09106	5.0
153.12700	3.1
155.08525	5.2
157.10062	6.1
159.08047	5.8
159.11641	13.0
161.09581	10.2
161.13217	5.0
163.07497	6.9
163.11154	30.5
165.12738	7.2
169.10138	5.8
171.08044	1.7
171.10210	2.6
171.11656	5.3
173.09599	4.9
173.13240	5.4
175.11180	5.6
177.09044	1.6
177.12750	4.1
179.10620	3.1
181.12248	2.1
183.11694	4.1
185.11716	1.8
185.13277	2.0
187.11130	2.2
189.09157	1.8
189.11218	6.5
189.12720	2.5
191.10599	2.5
193.12224	17.7
197.13266	3.5
199.11096	1.4
201.12711	2.2
205.12296	1.8
207.06589	1.5
215.14296	1.4
223.13271	4.9
227.12756	5.4
229.19435	2.4
237.16112	1.4
239.17841	7.8
243.17352	1.9
247.20567	3.2
253.14334	3.4
256.26303	1.8
257.18982	12.6
260.12103	1.3
261.18390	2.2
267.15970	2.6
271.16910	7.6
273.18430	4.7
275.20013	80.2
276.20364	2.1
283.15399	4.2
289.17914	28.9
290.18112	1.7
291.19513	7.5
293.21036	14.0
307.18930	7.8
322.84213	1.5
331.21899	1.2
345.20618	1.7
347.22018	1.3
349.04443	1.3
349.23676	57.8
350.23959	2.0
363.21585	11.3
365.23071	5.3
367.24750	34.9
367.29568	1.8
381.22659	100.0
382.23077	2.8
557.34778	3.3
563.37238	1.6
575.35400	1.7
581.37756	2.6
619.40430	1.6
637.40417	9.7
655.41913	63.1
656.42084	4.5
673.42999	69.6
674.43042	3.2
870.42773	3.6
871.43512	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.8
65.03928	3.0
67.05493	43.7
69.03413	4.5
69.07059	29.9
71.04989	5.0
73.02889	0.9
79.05479	50.6
80.05805	1.0
81.03407	10.7
81.07044	57.1
83.04967	15.4
83.08605	34.2
85.02876	6.3
85.06518	1.8
91.05465	41.8
93.07030	42.8
93.93839	0.8
94.07355	1.0
95.01301	1.0
95.04951	70.2
95.08591	25.2
95.09203	1.2
97.02880	3.3
97.06520	10.1
97.10146	21.6
99.00808	3.3
99.04412	5.4
99.08067	2.3
103.05450	2.5
105.04491	2.7
105.07015	33.2
105.07729	1.7
106.07391	0.8
107.04933	20.6
107.08576	34.8
109.02890	4.8
109.06497	11.7
109.10147	12.9
111.04425	14.0
111.08051	6.8
113.05978	1.1
115.05455	2.2
117.07005	17.1
119.04878	1.1
119.08558	33.8
119.09410	1.7
121.06482	13.1
121.10127	18.9
123.04413	3.4
123.08040	8.1
123.11711	3.0
125.05992	1.6
125.09608	17.7
127.03882	1.0
128.06223	1.7
129.06966	6.9
130.07791	1.6
131.08546	17.7
131.09454	1.5
133.06476	3.5
133.10109	24.2
135.08020	15.6
135.11658	10.9
137.06001	1.1
137.09564	5.2
139.07518	1.2
139.11153	2.7
141.06978	2.4
143.08514	6.8
145.06467	4.8
145.10106	24.3
147.08011	7.4
147.11673	11.9
149.05885	0.8
149.09592	25.7
149.13229	1.4
151.11139	5.0
153.09084	2.8
153.12718	3.1
155.08533	3.3
157.10139	4.1
159.08049	4.3
159.11670	9.7
161.09586	7.5
161.13255	3.8
163.07539	4.5
163.11156	27.5
165.12737	4.0
169.10121	3.2
171.08022	1.0
171.10143	1.9
171.11670	2.9
173.09610	4.4
173.11827	1.3
173.13222	4.2
175.11159	3.6
175.14882	0.8
177.12717	3.7
179.10638	3.2
179.14265	0.9
181.12177	3.1
183.11681	3.1
187.11168	3.4
187.14775	1.3
189.09354	1.1
189.11189	18.2
189.12711	2.0
191.10643	2.7
193.12204	14.5
197.13261	2.6
201.12718	1.8
201.16354	1.1
205.12202	4.6
207.13869	1.1
209.11824	1.1
211.13269	2.2
213.16223	1.2
219.13841	0.9
223.13254	35.8
225.11142	1.2
227.12772	8.7
227.24649	0.9
229.19507	4.0
235.03218	0.8
239.17943	4.3
243.17497	1.9
247.20618	1.4
253.15970	1.0
257.18942	8.5
261.18524	2.7
271.16882	4.4
273.18509	1.1
275.20026	58.9
276.20322	1.6
283.15387	4.6
289.17950	21.6
291.19498	1.6
293.21060	42.5
294.21213	1.0
307.19067	5.6
311.22043	1.8
331.22729	1.0
345.20422	1.2
349.23682	29.5
350.23950	0.9
363.21567	9.5
367.24738	53.3
368.25110	1.3
377.96771	1.0
381.22647	100.0
382.23068	3.9
453.61057	0.9
463.30307	1.0
557.34644	3.1
559.36200	1.8
563.37244	1.1
566.34552	0.8
575.35144	1.0
581.38031	2.5
637.40912	8.4
655.41864	38.6
656.41724	2.3
673.42950	88.6
674.43451	6.8
691.43304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.5
61.51751	0.7
61.56663	0.7
65.03923	4.0
66.04719	0.7
67.05494	43.9
69.03416	3.2
69.07059	31.8
70.18995	1.8
71.01369	0.8
71.01785	0.6
71.04990	5.0
71.40801	0.7
77.94039	0.6
79.05480	48.9
81.03413	8.9
81.07044	100.0
82.07378	1.1
83.04972	10.5
83.08601	16.9
85.02881	2.8
85.06537	3.8
88.07622	0.8
91.05466	41.0
92.05788	1.4
93.07030	38.4
95.01280	0.7
95.04953	18.4
95.05521	1.3
95.08592	29.1
97.02876	3.9
97.06512	12.2
97.10157	10.1
99.00793	3.1
99.04449	2.0
99.08068	2.6
103.05471	1.4
105.04546	1.8
105.07015	38.9
107.04943	14.8
107.08577	26.0
109.02857	3.6
109.06501	24.9
109.10135	11.3
111.04433	3.4
111.08067	6.6
113.06007	0.9
113.09630	0.8
115.05428	1.6
116.06207	0.9
117.07002	13.9
119.04914	1.4
119.08561	31.2
121.06490	9.5
121.10126	13.0
123.04404	2.1
123.08055	7.4
123.11668	5.7
125.02324	0.8
125.05959	1.3
125.09612	8.4
127.03899	1.4
127.07501	0.9
128.06197	1.3
129.07004	5.1
131.08548	16.0
133.06497	3.1
133.10109	21.7
135.08044	15.7
135.11662	8.0
137.05992	0.8
137.09604	7.1
139.07545	1.0
141.06992	2.3
142.07796	0.8
143.08554	5.5
144.09337	0.7
145.06464	3.0
145.10100	14.7
147.08023	4.7
147.11659	16.0
149.05927	1.0
149.09607	9.0
149.13211	7.0
151.07506	1.0
151.11148	5.3
153.09062	2.0
153.12729	1.9
155.08549	2.7
157.10123	5.2
159.08069	4.4
159.11665	8.0
161.09575	5.8
161.13242	3.1
163.07523	5.1
163.11134	9.3
163.14777	1.4
165.09143	1.5
165.12735	3.7
169.10170	3.4
171.08005	1.3
171.10265	1.3
171.11665	2.5
173.09627	2.6
173.13306	3.8
175.11180	3.9
175.14781	1.1
177.09068	1.0
177.12753	2.7
179.10654	2.2
179.14384	1.3
181.10153	0.9
181.12256	1.0
183.11687	2.2
185.13164	1.0
187.11215	2.0
187.14865	2.1
189.09189	0.7
189.11197	2.6
189.12679	1.6
191.10680	2.2
191.14310	1.2
193.12195	14.4
197.13245	1.1
201.12842	1.2
207.13708	1.2
215.18053	1.2
217.15851	1.0
219.13771	1.2
223.13228	2.4
227.12798	2.8
229.19545	1.7
239.17857	1.9
243.17450	1.0
247.20621	4.2
256.26306	2.0
257.19012	4.4
261.18521	2.9
267.15848	1.7
271.16995	2.6
273.18484	2.1
275.20023	52.6
276.20416	1.9
283.15433	1.2
289.17935	15.6
291.19519	2.2
291.66492	0.7
293.21085	13.9
294.95148	0.7
305.17389	0.7
307.18951	3.5
331.22870	1.0
349.23679	30.7
350.24094	1.7
363.21533	8.1
365.22931	1.0
367.24759	32.3
368.25046	1.0
381.22653	55.1
382.23093	2.1
557.34570	1.5
575.36047	1.0
581.38226	1.5
599.39478	1.3
623.42499	1.1
637.40973	6.5
655.41913	51.9
656.42157	3.3
659.44751	1.2
673.42963	58.1
674.42828	4.3
870.42444	4.2
870.57758	1.2
871.43567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	70.3
69.03419	5.5
69.07058	27.9
71.04971	8.6
72.60987	1.9
79.05486	54.9
81.03409	9.2
81.07048	100.0
83.04969	7.3
83.08602	33.8
85.02872	3.7
85.06548	4.5
91.04933	3.7
91.05470	50.7
93.07028	50.3
95.04964	37.3
95.08597	38.4
97.02829	3.0
97.06524	14.7
97.10157	6.3
98.22622	5.4
99.08041	4.7
105.04468	2.8
105.07020	45.6
107.04932	20.5
107.08582	32.6
109.06516	20.8
109.10169	14.4
111.08057	8.1
115.05393	2.8
117.07010	15.6
119.08588	36.6
121.06516	11.0
121.10127	22.0
123.08044	9.0
123.11694	7.5
123.44854	2.0
125.09620	5.4
129.06976	4.6
131.08540	19.9
133.06435	2.4
133.10107	28.5
135.08014	7.7
135.11681	12.3
135.19220	2.2
137.09555	3.5
141.06953	2.2
143.08548	4.6
145.10091	22.2
147.07967	3.0
147.11678	22.4
149.09587	18.4
149.13277	6.4
151.11206	3.5
155.08510	2.6
157.10085	6.0
159.11681	13.5
161.09589	5.5
161.13220	3.4
163.11166	18.8
163.14780	2.8
165.12703	4.6
169.10098	2.5
171.11665	3.8
173.09607	2.9
173.13234	3.5
175.11147	5.2
175.14845	2.3
177.12723	7.0
179.14243	3.0
183.11629	3.4
187.11165	3.1
191.14366	2.8
193.12294	2.5
195.13771	2.4
197.13316	2.6
203.14381	2.4
205.12209	3.1
239.18015	5.1
247.20477	3.7
257.18979	9.3
269.17508	4.4
275.17017	3.9
275.20038	77.9
276.20218	4.1
291.64169	2.3
293.21060	17.8
313.27237	3.1
324.95612	2.4
335.25696	7.7
349.23682	88.2
350.24023	4.3
367.24771	36.1
379.40903	2.4
381.26343	20.6
511.39264	3.0
529.39264	2.6
543.36847	4.8
567.40094	2.6
575.38977	3.8
623.42841	44.9
624.42676	3.7
641.07660	2.8
641.43982	35.0
655.45007	8.7
656.46301	2.4
659.44153	4.4
673.46600	30.7
871.46094	6.7
877.86017	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	870.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	4.0
67.05494	53.0
69.03424	2.8
69.07062	23.4
71.04981	12.1
71.08633	3.3
79.05486	46.3
79.09818	1.4
81.03414	5.8
81.07044	100.0
83.04991	8.2
83.08605	22.3
85.02898	2.4
85.06524	3.6
87.52357	1.5
91.03952	1.8
91.05465	39.2
93.07034	34.7
95.04952	17.9
95.08588	32.6
97.06512	6.6
97.10152	3.2
99.08086	3.4
105.07016	37.9
107.04951	12.1
107.08582	26.6
109.06499	27.5
109.10142	17.0
111.04437	5.6
111.08078	5.0
113.09602	1.9
117.07009	11.8
119.04844	1.7
119.08570	26.7
121.06499	5.2
121.10131	20.1
123.08068	12.4
123.11700	6.9
125.09617	2.8
129.06998	5.1
131.08537	19.1
133.10109	21.0
135.08017	5.2
135.11679	10.2
137.09633	4.4
137.13289	2.6
139.11169	2.1
141.07010	2.5
143.08490	2.0
145.06438	2.1
145.08430	1.6
145.10077	14.1
147.08008	2.6
147.11664	18.7
149.09572	12.4
149.13280	7.6
151.11165	3.7
155.08598	2.1
157.10135	3.2
159.11674	10.1
161.13251	3.4
163.11174	14.3
165.12718	4.0
169.10117	3.3
171.11649	3.9
173.13272	5.6
175.11122	4.0
189.12755	2.0
193.12407	1.8
197.13248	1.9
229.19598	2.1
239.18022	2.6
247.20569	3.6
255.15938	1.8
257.19000	5.6
273.17075	3.2
275.20026	68.7
276.20505	2.1
278.39096	1.6
293.21033	10.4
307.22531	3.5
313.27188	4.4
335.25745	2.8
349.23672	52.0
367.24771	39.0
368.25278	2.2
381.26239	23.9
467.37384	9.5
511.39810	2.7
514.21069	1.9
623.33746	2.4
623.43042	34.3
641.43976	31.8
655.45184	11.1
659.44556	7.7
673.36786	2.1
673.46704	26.3
674.47314	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	3.6
67.05493	59.5
68.05775	2.0
69.03414	6.4
69.06700	3.3
69.07054	30.8
71.04975	10.2
79.05482	55.5
81.03405	11.8
81.07043	64.7
83.04963	17.3
83.08604	50.5
84.14010	1.8
85.02892	9.1
85.06544	4.2
91.05463	59.5
93.07030	54.1
95.01260	2.3
95.04951	69.5
95.08588	38.5
97.02843	4.1
97.06496	13.9
97.10167	15.3
98.23528	4.5
99.04453	4.6
99.08094	3.4
105.04489	1.9
105.07011	55.8
106.07314	1.9
107.04937	28.1
107.08567	38.4
108.08896	2.7
109.06509	16.5
109.10135	25.7
111.04422	8.6
111.08054	12.6
113.06030	2.0
115.05418	4.4
117.06993	21.3
119.08552	38.3
121.06512	13.4
121.10124	26.5
123.04469	2.1
123.08059	8.7
123.11689	2.9
125.09595	12.4
127.07578	2.2
129.06984	8.5
131.08548	26.5
133.06465	4.1
133.10094	31.2
135.08063	13.9
135.11664	16.0
137.05984	1.8
137.09567	8.8
139.11194	4.2
141.06949	4.2
143.08530	6.2
145.06473	2.6
145.10106	32.9
147.08020	7.2
147.11642	18.1
149.09575	30.7
149.13249	3.8
151.11197	6.0
153.09108	3.2
153.12756	3.1
155.08565	3.3
157.10089	6.3
159.11635	15.9
161.09613	8.1
161.13179	7.8
163.11157	40.9
165.12775	6.1
169.10123	5.5
171.11749	4.8
171.33855	1.9
173.09604	4.8
173.13286	6.6
175.11179	6.4
177.12775	7.1
178.22429	1.9
179.10640	2.5
183.11655	3.7
185.13138	3.2
187.11177	5.1
189.11198	9.1
189.12682	2.9
191.10684	3.3
193.12242	6.1
197.13266	3.2
201.12715	2.4
205.12175	4.9
211.13130	2.2
223.13234	30.3
227.12718	6.1
229.19466	3.8
239.17973	5.2
247.20686	2.6
253.14247	6.6
257.18875	12.9
267.15936	3.6
273.18439	7.0
275.20007	100.0
276.20370	3.1
283.15454	2.3
285.16962	3.3
289.17886	6.4
291.19479	6.6
293.21042	39.9
307.22986	2.0
308.33624	2.3
331.22473	3.1
342.71902	2.0
349.19360	4.5
349.23669	91.4
350.24091	5.0
365.23029	7.3
367.24741	49.7
368.25311	2.4
381.22440	7.2
381.26685	15.2
458.70950	2.0
515.33392	2.3
557.34656	2.5
623.43005	31.5
624.43518	2.7
641.43909	59.5
642.44421	4.6
655.44781	9.5
659.44965	5.0
673.46387	33.3
674.44672	2.3
870.42102	9.8
871.43909	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	870.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.6
65.03940	6.0
67.05495	61.1
67.40896	1.5
69.03425	7.1
69.07063	31.2
70.06570	1.8
71.04977	16.6
79.05482	58.1
79.29012	1.5
81.03394	11.9
81.07047	100.0
83.04970	16.4
83.08601	41.1
85.02908	4.3
85.06530	2.9
91.05463	53.5
93.06440	3.3
93.07028	53.0
95.04958	59.1
95.08594	39.5
97.02905	2.6
97.06503	11.8
97.10152	9.5
99.04436	4.7
99.08075	3.0
103.05495	2.2
105.04540	2.8
105.07021	49.1
106.07335	2.5
107.04932	20.8
107.08572	42.6
107.09249	3.4
109.06503	24.8
109.10141	19.6
111.04429	10.0
111.08069	10.6
113.09632	2.5
117.07005	20.5
119.08571	38.5
121.06471	9.4
121.10136	24.3
123.08041	11.3
123.11686	6.1
125.09627	8.4
129.05505	2.1
129.07016	8.0
130.07777	2.0
131.08543	24.1
133.06560	2.9
133.10114	25.6
135.08040	8.6
135.11641	14.4
137.09595	10.3
139.11168	2.3
141.06963	3.3
142.07803	2.1
143.08577	4.8
145.06448	4.3
145.10100	27.7
147.08060	4.4
147.11670	20.2
149.09608	28.7
149.13246	5.8
151.11177	6.0
157.10138	5.0
158.53116	2.2
159.11658	16.7
161.09579	3.1
161.13242	6.9
163.11157	31.0
165.12779	7.3
167.10716	2.6
169.10150	5.2
171.11632	3.4
171.21326	1.7
173.09579	3.4
173.13171	9.4
175.09767	1.8
175.11224	4.7
177.12764	4.8
183.11646	3.0
187.11128	4.2
189.11215	5.2
191.10674	3.2
193.12270	4.3
197.13286	2.7
201.12721	2.1
205.12256	3.5
207.75421	1.7
215.17928	4.1
223.13251	21.4
227.12959	2.2
229.19481	4.5
239.18001	4.6
247.20554	5.7
253.14436	2.6
255.15765	2.4
257.19003	10.3
269.17511	4.4
273.18515	3.3
275.20026	93.0
276.20734	1.9
283.14951	2.0
291.19431	2.2
293.21085	26.7
307.22604	6.3
331.22601	3.5
331.69232	1.9
349.23663	65.1
349.27737	3.6
350.24341	2.6
365.22949	2.7
367.24722	48.7
381.22293	2.2
381.26392	26.9
543.36401	5.4
575.39282	5.8
623.42908	36.3
641.43970	53.9
642.44183	4.3
655.44885	7.4
659.44556	7.7
673.46826	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70861	0.4
61.02914	3.4
62.96952	0.4
65.03935	0.7
67.05495	8.3
67.57937	0.4
68.05846	0.5
69.03426	3.9
69.07061	4.4
71.01344	0.5
71.04984	1.1
71.08265	0.4
73.02912	3.2
78.07890	0.4
79.05481	9.2
80.05830	0.9
81.03414	3.3
81.06564	0.7
81.07046	13.3
82.07390	1.3
83.04967	2.3
83.08621	3.3
85.02894	3.4
91.03973	0.9
91.05469	7.8
92.05817	0.8
93.07028	6.3
93.82412	0.4
94.07360	0.5
94.63853	0.5
95.04967	4.0
95.08578	3.5
96.08906	0.5
97.02882	3.3
97.06535	1.8
97.10155	3.1
98.66522	0.4
99.00777	0.6
99.04446	0.8
101.02419	1.1
103.05533	0.4
104.91870	0.5
105.07015	6.1
106.07385	0.5
107.04936	3.4
107.08563	5.1
109.02896	1.8
109.06503	3.9
109.10133	2.2
111.04458	0.7
111.08099	0.8
117.06990	2.7
119.08575	5.0
120.08947	0.6
121.06534	1.6
121.10157	2.0
123.04432	0.9
123.08097	1.4
123.11734	0.8
125.09613	2.3
127.03922	1.1
129.05490	0.5
129.07025	1.1
131.08533	2.6
133.06514	1.0
133.10112	4.4
135.08029	3.4
135.11726	1.5
137.09650	0.9
143.08522	1.1
145.06483	0.8
145.10150	1.8
146.10484	0.5
147.08037	0.7
147.11729	2.0
149.09650	1.8
149.13216	0.5
151.11209	1.4
153.12708	0.6
155.08583	0.6
157.10214	0.5
159.08057	0.6
159.11740	1.3
161.09637	2.0
161.13365	0.4
163.07581	0.8
163.11194	1.7
165.12773	1.0
171.07979	0.5
171.11742	0.6
173.09660	0.6
175.11247	0.8
179.10683	0.7
185.04301	0.7
189.09126	0.6
189.11215	0.7
193.12230	1.1
214.42976	0.5
219.13826	0.6
227.12730	0.9
243.08360	5.0
243.17390	0.5
253.14268	0.7
256.26373	0.7
261.18539	0.5
267.15790	0.6
271.17032	1.0
273.18442	1.1
275.19955	3.6
276.20551	1.6
289.17932	2.7
290.18411	1.2
291.19449	2.1
292.19882	0.8
301.09180	0.5
315.04318	0.5
315.10699	0.6
327.10645	0.5
329.17276	1.5
349.23703	2.2
350.24319	1.2
363.21881	0.7
364.21979	0.5
365.23370	0.9
366.23123	0.5
367.24942	1.9
368.25232	1.0
381.22681	4.4
382.23056	1.9
439.19644	0.6
467.18677	1.2
479.19034	0.5
547.25043	7.4
565.26196	5.6
638.41632	1.0
655.42334	1.7
656.42340	4.0
673.42896	1.5
674.43439	3.2
871.44293	100.0
872.44836	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	872.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.5
65.03916	5.0
67.05496	53.3
68.05836	1.8
69.03439	7.4
69.07058	26.5
71.01361	1.3
71.04980	6.1
71.08619	2.6
73.02898	2.3
79.05484	58.7
80.05821	2.8
81.03404	12.6
81.07047	100.0
82.07381	8.6
83.04977	13.7
83.08607	18.9
85.02877	7.0
85.06542	3.5
91.05466	50.4
92.05785	2.7
93.07030	51.2
94.07360	2.0
95.01328	1.1
95.04959	26.6
95.08589	30.9
96.05262	1.7
97.02872	5.6
97.06534	12.3
97.10160	14.9
98.23454	4.2
99.04453	2.6
99.08068	6.0
101.43672	1.2
105.04496	3.5
105.07018	42.5
106.07394	2.1
107.04946	12.3
107.08579	32.9
108.05267	1.4
108.08926	1.3
109.06506	30.9
109.07214	2.5
109.10137	20.1
110.06823	2.2
110.10463	1.5
111.04453	7.9
111.08056	7.8
115.03942	1.3
115.05444	2.5
117.06996	20.7
118.07336	1.7
119.05009	1.2
119.08566	38.4
120.08901	4.0
121.06495	9.8
121.10121	17.4
123.04371	2.6
123.08048	15.9
123.11678	2.6
125.05976	1.6
125.09612	11.0
127.03915	2.1
127.07511	1.3
128.06259	1.5
129.05495	3.5
129.06999	8.6
130.31947	1.0
131.07629	2.1
131.08554	24.9
131.09459	2.2
132.08896	1.9
133.06487	4.3
133.10106	26.2
133.66406	1.1
134.10468	2.6
135.08043	12.1
135.11679	12.0
137.05934	1.2
137.09592	8.5
139.11119	1.8
141.06932	2.8
142.07822	2.1
143.08563	10.3
145.04988	1.1
145.06436	2.8
145.10109	19.7
146.10406	2.6
147.07985	8.7
147.11664	13.2
149.09587	10.9
149.13249	4.8
151.11148	5.2
153.09048	1.9
153.12708	2.9
155.08559	3.2
157.10091	8.1
159.08038	3.8
159.11681	12.9
161.09616	10.1
161.13235	7.2
163.11171	14.4
165.09097	3.9
165.12737	3.3
169.10153	4.9
171.08015	1.7
171.11606	6.3
173.09608	3.6
173.11681	2.0
173.13216	5.6
175.11140	4.6
175.14764	1.7
177.12717	3.5
178.29018	1.5
179.10732	1.5
181.12222	5.9
183.11620	2.8
185.13252	6.0
187.11171	1.7
187.14896	2.1
189.11195	10.6
189.12648	2.3
191.10675	3.9
193.12210	6.0
195.11665	1.9
195.13683	2.2
197.13248	2.2
199.11098	1.3
199.14737	1.4
205.12073	1.5
210.51910	1.2
211.13066	1.4
213.16362	1.3
223.13220	5.6
224.13705	1.6
227.12679	11.6
227.17946	1.8
228.12999	1.7
229.14203	2.0
229.19524	1.8
231.17334	1.7
237.16386	1.9
239.18065	1.9
241.19456	3.3
243.08421	1.7
245.19032	2.2
249.14816	2.2
253.14297	1.7
254.14758	1.4
255.17497	2.8
257.18954	3.9
259.20480	9.6
259.65576	1.2
267.15857	2.5
269.17426	3.5
271.16965	1.3
273.18466	22.5
274.18762	4.9
275.20020	18.1
276.20349	1.6
277.21478	2.2
283.15216	2.7
289.17914	3.8
290.18387	1.5
291.19492	43.0
292.19846	13.6
293.21143	9.4
307.18918	1.3
309.20444	1.9
323.34042	1.2
329.21234	1.5
333.24329	11.0
335.25504	1.3
347.22189	8.7
348.22577	1.5
349.23724	14.1
351.25244	2.0
363.21588	2.1
365.23236	14.8
366.23642	3.8
367.24658	7.3
369.26080	1.9
381.22903	5.6
383.19766	1.8
383.24118	7.2
399.23660	3.2
401.20941	2.4
402.21191	1.6
452.41327	1.3
513.35876	1.5
515.37115	1.3
547.25201	1.6
547.36591	1.3
559.36285	1.4
575.35492	4.4
577.36969	1.7
621.40894	1.9
623.43109	6.1
639.42548	6.0
641.43872	5.2
657.43286	13.4
674.38580	5.0
675.44751	6.8
692.39709	4.1
756.35022	1.6
872.44299	36.8
873.45264	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	872.535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	4.3
67.05492	60.3
69.03404	4.2
69.06698	2.5
69.07056	31.2
71.04425	1.6
71.04992	6.8
77.03902	1.8
79.05479	69.5
81.03405	14.2
81.07042	100.0
83.04964	22.1
83.08107	2.9
83.08602	46.7
85.02894	6.7
85.06520	4.7
91.05463	51.1
93.07029	54.3
95.01300	1.4
95.04952	75.9
95.08586	34.6
95.09187	1.6
97.02856	1.3
97.06530	13.2
97.10152	27.4
99.04439	6.1
99.08041	4.3
103.05435	2.1
105.04471	2.3
105.06336	2.7
105.07011	45.0
107.04939	26.2
107.08578	40.9
109.06498	16.6
109.10145	17.2
111.04420	21.7
111.08056	12.9
115.05473	1.7
117.07005	21.1
119.08564	43.7
121.06490	14.4
121.10123	24.0
123.04410	1.5
123.08044	25.1
123.11684	3.5
125.05962	3.4
125.09615	28.2
128.06180	3.5
129.06972	9.5
130.07645	1.5
131.08542	27.9
133.06447	5.6
133.10098	21.6
133.11015	2.1
135.08043	13.5
135.11662	15.4
137.05965	1.4
137.09592	6.6
138.62991	1.3
139.07585	1.4
139.11137	4.4
141.06952	1.8
143.08571	9.8
145.06483	3.6
145.10088	33.9
147.08028	11.7
147.11647	13.5
149.09590	32.3
149.13260	2.4
151.11136	3.3
153.09090	3.0
153.12689	5.3
155.08516	5.8
157.10103	6.7
159.08041	2.2
159.11673	12.4
161.09610	11.3
161.13232	3.7
163.11157	41.6
165.09109	4.7
165.12709	3.9
169.10072	6.0
171.10214	3.2
171.11670	6.2
173.09645	5.8
173.11826	1.7
173.13210	5.3
175.11121	9.8
177.12735	8.3
181.12186	6.2
183.11737	2.8
185.13197	2.0
187.11148	4.8
187.14786	1.7
189.11189	20.8
189.12738	2.9
191.10661	4.9
193.12231	3.8
195.11667	2.0
197.13300	1.6
205.12216	4.9
209.11700	3.8
214.89839	1.4
223.13246	40.2
227.12711	23.3
227.17935	1.7
229.19481	3.3
239.17963	3.1
245.19014	4.2
247.20395	1.7
249.14833	1.9
255.17380	4.1
257.19016	7.4
263.20071	1.8
267.15961	1.6
273.18466	37.9
275.16989	3.0
275.20020	57.0
276.20245	2.9
279.15903	1.5
283.15372	4.4
291.19470	68.9
292.19696	2.0
293.21057	40.4
309.20474	8.0
329.20917	2.1
338.35583	1.4
347.22092	20.2
349.23666	33.9
365.23178	50.9
367.24741	55.7
368.25061	2.8
383.24194	23.5
394.83478	1.4
454.31631	1.5
511.34238	1.6
516.54797	1.4
529.34991	1.8
537.33618	1.5
565.38086	1.6
593.36969	2.2
621.41095	10.5
639.42383	40.6
640.42432	4.0
657.43536	51.8
658.43359	5.7
675.44586	23.0
676.43951	2.3
905.59485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.0
67.05497	44.2
67.05862	2.6
69.03426	4.3
69.07058	22.2
69.72208	3.4
71.04430	1.4
71.04971	4.9
73.49268	1.1
79.05480	45.6
81.03404	7.4
81.07046	100.0
83.04958	10.5
83.08611	16.0
85.02925	2.4
85.06523	1.5
91.05467	31.6
93.06441	1.8
93.07030	34.3
95.04955	26.1
95.05524	2.1
95.08587	24.5
95.57307	1.2
97.02860	1.7
97.06509	11.4
97.10158	14.8
98.22757	2.3
99.04440	2.4
99.08102	3.0
105.04470	2.0
105.07018	29.6
107.04954	13.9
107.08578	26.7
109.02917	1.1
109.06505	25.5
109.10132	12.5
111.04408	7.5
111.08046	7.2
115.05464	2.3
117.06995	11.9
119.04993	1.2
119.08562	27.4
121.06499	7.9
121.10146	16.2
123.08047	14.6
123.11696	5.2
123.49452	1.1
125.09615	10.6
128.06230	1.2
129.07011	7.4
130.07806	1.6
131.08540	16.5
133.06470	4.4
133.10110	15.9
135.08044	8.6
135.11659	10.3
137.09583	3.1
141.06920	1.9
143.08594	5.2
145.06490	2.3
145.10114	15.3
147.08046	9.2
147.11671	15.5
149.09570	9.6
149.13245	5.4
151.11171	2.0
153.09077	1.9
153.12781	2.6
155.08508	2.8
157.10127	6.1
159.08026	2.4
159.11696	9.5
161.09615	7.4
161.13272	3.4
163.11145	16.8
165.09073	3.3
165.12715	3.4
169.10124	1.9
171.10176	1.6
171.11632	2.1
173.09584	3.4
173.13249	3.7
174.91185	1.0
175.11189	5.6
177.12711	3.5
181.12183	3.7
183.11710	1.5
185.09579	1.4
185.13275	1.4
189.11223	9.1
189.12694	2.0
191.10606	1.9
193.12259	3.7
195.13857	1.1
201.12775	1.0
223.13297	4.7
227.12740	9.1
229.19640	1.5
245.19052	1.3
247.20461	3.1
249.14903	1.4
255.17410	3.5
257.19116	3.0
267.15912	2.2
273.18472	27.8
275.20032	43.6
275.61035	1.4
276.20313	1.8
291.16199	2.2
291.19513	38.4
293.21103	13.1
309.20566	5.1
347.22116	11.2
349.23660	26.8
365.23175	33.6
367.24750	40.7
368.25201	1.3
383.24231	14.5
418.34158	1.2
519.33099	2.3
565.38898	1.9
577.36920	1.6
583.40143	1.3
619.49707	1.2
621.41248	6.6
639.42371	31.4
640.42767	1.4
657.43463	36.6
658.43787	1.6
675.44586	22.7
872.43506	2.4
873.44830	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	872.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	2.1
65.03938	6.4
67.05495	70.4
69.03419	8.6
69.07058	37.5
71.04970	6.8
77.03944	1.8
78.21315	1.6
79.05482	63.1
80.05809	1.6
81.03413	16.8
81.07045	100.0
82.07375	2.4
83.04969	21.0
83.08606	45.9
85.02914	4.3
85.06540	5.0
91.05467	57.2
93.07034	61.3
95.04958	34.4
95.08594	46.2
95.09198	2.2
97.02914	1.9
97.06522	13.4
97.10158	26.1
97.98302	1.8
99.04444	3.2
99.08089	4.0
103.05442	2.3
105.04481	4.0
105.07012	52.6
107.04937	28.8
107.08572	40.0
109.06499	17.8
109.10131	22.1
111.04427	13.5
111.08083	15.4
113.09597	1.6
115.05419	2.5
116.06226	2.3
117.07000	26.2
119.04909	2.3
119.08561	48.0
120.05746	1.7
121.06477	14.0
121.10124	26.4
121.10948	2.3
123.08053	30.4
123.11694	2.9
125.06015	2.3
125.09613	19.0
128.06215	4.6
129.07013	9.9
131.08549	34.2
133.06488	4.9
133.10104	31.1
135.08052	10.9
135.11679	15.1
137.09612	9.9
139.07539	3.0
139.11191	3.7
141.06984	2.3
141.09023	1.8
143.08575	10.4
145.06483	3.9
145.10091	35.4
147.08025	13.0
147.11655	20.3
149.09599	28.7
149.13240	3.9
151.11215	4.7
153.09099	5.3
153.12756	7.1
155.08563	5.9
157.10139	10.1
159.08060	2.9
159.11682	13.3
161.09578	10.7
161.13274	5.9
163.11151	34.6
165.09163	4.8
165.12761	6.6
168.98790	2.0
169.10133	6.2
171.10184	2.9
171.11664	7.5
173.09624	5.8
173.13280	7.0
175.11177	7.3
177.12764	6.4
179.14415	2.4
181.12230	9.1
183.11668	5.6
185.13249	3.9
187.11154	2.0
189.11201	18.0
189.12671	2.9
191.10715	7.0
191.14365	2.3
193.12206	4.9
195.11580	2.3
197.13208	3.3
199.14905	1.8
201.12704	1.9
205.12230	3.1
207.13828	2.7
223.13330	7.4
227.12733	21.4
227.17937	3.7
229.19572	3.6
239.17981	7.7
245.13820	2.8
245.18979	4.9
247.20490	3.8
253.14429	2.2
255.17470	4.0
257.18997	10.6
273.18442	41.0
275.20016	74.9
276.20300	3.2
283.15292	4.2
289.17877	2.1
291.19489	74.6
292.19864	2.1
293.21100	15.3
309.20578	9.7
329.21225	1.9
347.22125	19.3
349.23691	61.2
365.23181	65.9
367.24698	38.5
383.24234	34.2
519.32916	3.7
559.36389	3.9
565.38751	3.5
621.41504	14.7
639.42328	53.8
640.42548	4.7
657.43457	45.5
675.44727	23.5
873.45343	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.7
67.05497	0.5
69.03418	31.7
70.06583	2.7
71.04984	2.9
71.17906	0.8
73.02897	0.5
81.03404	28.2
82.44837	0.4
83.01307	2.5
85.02890	42.2
92.52081	0.5
97.02876	46.2
99.04433	14.7
99.05068	0.9
109.02859	100.0
110.03194	0.9
112.07569	2.1
115.03941	0.7
117.03363	0.5
121.02804	0.6
127.03894	59.4
128.04242	0.8
137.02324	1.7
137.05945	0.7
139.03899	7.4
140.07034	0.9
145.02863	0.7
145.04927	11.8
153.01810	1.6
165.01840	0.6
169.04938	18.8
177.05450	1.5
187.05988	54.2
188.06386	0.7
205.06987	2.9
229.04860	1.5
229.06985	11.5
247.08092	20.1
257.04440	1.2
274.04636	0.5
285.03943	0.9
303.04932	59.0
304.05273	1.8
329.61627	0.5
341.11337	1.1
385.92194	0.6
465.10211	8.1
477.97375	0.5
527.32294	0.5
549.11700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
61.12672	0.3
67.05491	6.3
68.05840	0.5
69.03416	2.6
69.07057	3.8
71.04980	1.3
73.02908	2.6
79.05482	8.0
80.05829	0.7
81.03406	2.2
81.07046	14.5
82.07389	0.8
83.04980	2.5
83.08600	2.2
84.08984	0.3
85.02884	4.1
85.06530	0.4
91.03942	1.5
91.05462	6.0
91.18593	0.3
92.05825	0.4
93.07029	5.0
93.07568	0.3
95.04958	3.1
95.08580	3.0
95.09036	0.3
96.08929	0.5
97.10167	2.5
98.23527	0.5
98.53422	0.3
99.04453	1.3
101.02393	1.1
104.05720	0.3
105.04568	0.3
105.07010	3.8
106.07359	0.6
107.04945	1.8
107.08581	4.0
109.02886	0.9
109.06492	4.4
109.07080	0.4
109.10140	1.7
111.04427	2.1
111.08093	1.4
113.63704	0.4
115.05410	0.4
117.07035	1.8
118.07420	0.3
119.08575	4.3
121.06487	1.7
121.10114	2.3
123.04398	0.5
123.08054	1.9
123.11710	0.5
125.09612	1.7
127.03902	0.8
129.06996	0.9
130.07753	0.4
131.04919	0.4
131.08537	2.3
133.06508	0.4
133.10110	2.4
134.10483	0.4
135.08022	1.6
135.11688	1.5
137.09642	0.9
143.08553	0.9
145.10094	2.2
147.08089	1.4
147.11705	1.4
149.09650	1.0
151.11198	0.4
153.12788	0.9
157.10118	0.9
159.08113	0.4
159.11708	0.7
161.09607	0.7
163.11192	2.1
164.11508	0.4
165.09084	0.5
165.12790	0.4
171.11604	0.3
173.09642	0.4
173.13249	0.4
175.11209	0.9
181.12253	0.5
185.04225	0.7
189.11288	0.9
191.10652	0.4
193.12311	0.5
203.05217	0.5
207.21141	0.4
223.13356	0.5
227.12831	0.7
243.08365	4.9
273.18506	2.3
274.18958	0.6
275.19934	2.0
276.20419	0.6
291.19498	2.9
292.19955	1.1
293.21365	0.4
294.21365	0.3
301.17786	0.4
313.05789	0.4
313.09027	0.6
315.10583	0.3
317.13892	0.6
331.18756	3.3
347.18137	0.5
347.22079	0.4
349.23907	0.9
350.23969	0.8
365.22931	1.6
366.23724	1.1
367.24756	1.9
368.25204	1.2
369.15268	0.6
383.24152	0.5
384.24643	0.5
387.21582	1.4
403.21155	0.5
439.19556	0.8
454.45432	0.3
467.19284	0.8
495.19382	0.4
549.26678	8.2
565.26111	4.9
622.42377	0.5
639.43036	0.7
640.42242	1.8
657.43347	0.6
658.43799	2.1
676.44995	1.4
747.38672	0.5
775.39258	0.6
873.45886	100.0
874.46277	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	873.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	3.2
65.03944	0.5
67.05496	6.3
68.05813	0.4
69.03421	2.9
69.07055	3.3
69.70776	0.7
69.71158	0.6
71.04978	1.0
73.02901	2.4
79.05482	6.8
80.05862	0.4
81.03405	2.2
81.06567	0.6
81.07043	11.7
82.07380	0.9
83.04980	1.4
83.08618	1.9
85.02898	3.3
91.03957	1.5
91.05457	4.7
93.07025	4.6
94.07366	0.3
95.04947	2.9
95.08593	3.4
97.10147	2.4
97.96245	0.3
99.04443	0.7
99.08085	0.3
101.02405	0.9
105.04504	0.5
105.07017	3.9
106.07357	0.3
107.04953	2.0
107.08571	3.4
108.08936	0.3
109.02879	1.1
109.06500	3.5
109.10140	2.0
111.04446	1.0
111.08086	0.9
117.06985	2.1
119.08566	4.0
120.08932	0.3
121.06517	1.2
121.10149	1.6
123.08047	1.9
123.11717	0.4
125.09589	1.7
127.03904	0.8
129.05479	0.4
129.07016	1.1
131.08536	1.8
133.10100	2.3
135.08002	1.7
135.11725	1.1
137.09608	1.0
143.08551	0.5
145.06476	0.6
145.10086	1.9
147.08037	0.9
147.11703	1.3
149.09650	0.9
151.11157	0.5
153.09062	0.4
153.12680	0.4
155.08510	0.6
157.10139	1.3
159.08092	0.8
159.11667	0.6
161.09639	1.4
163.11143	1.5
164.11540	0.4
165.09067	0.4
165.12740	0.6
171.10364	0.4
173.09673	0.4
177.12852	0.3
179.10658	0.7
180.49301	0.3
181.12373	0.3
185.04248	0.6
189.11299	0.7
193.12173	0.4
203.05270	0.3
205.58667	0.4
221.11765	0.4
227.12747	0.6
243.08334	3.8
243.17505	0.5
273.18533	1.4
274.18970	0.4
275.19992	1.9
276.20554	1.4
277.21609	0.4
289.18027	0.6
291.19525	3.0
292.19977	1.3
295.22833	0.7
301.08963	0.9
305.82025	0.3
329.17322	1.0
347.22073	0.7
349.19873	1.4
349.23810	0.8
350.24161	0.8
365.23233	1.7
366.23712	1.0
367.24951	1.2
368.25186	0.9
369.15344	0.5
383.24274	0.8
384.24698	0.6
385.19699	0.4
405.22638	0.5
451.19406	0.6
497.19943	0.6
547.25037	6.1
548.25323	0.4
550.75653	0.3
567.27643	5.8
619.27631	0.5
622.41730	0.6
640.42816	1.5
657.43439	0.7
658.44110	1.4
659.45233	0.5
675.44580	0.4
676.44550	1.2
685.69293	0.3
757.37390	0.4
873.45880	100.0
874.46082	7.3
895.34521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.4
63.92618	0.7
67.05492	9.2
69.03425	2.8
69.07050	5.5
69.55584	1.7
69.55965	1.6
73.02895	1.1
79.05482	7.8
81.03428	3.0
81.07042	10.8
82.07397	1.1
83.04962	2.1
83.08624	2.6
85.02892	2.8
91.03983	1.7
91.05473	7.0
93.07046	7.5
95.04980	2.9
95.08591	4.9
97.10193	2.3
98.22674	1.7
105.07031	6.1
107.04957	2.1
107.08555	4.1
109.06509	1.9
109.10166	2.7
110.10494	0.9
111.08112	1.2
117.07015	1.7
119.08574	5.3
121.10140	2.5
123.08055	1.1
125.09635	2.4
127.03906	1.2
129.07005	1.2
131.08589	3.3
133.10159	2.9
135.08058	1.6
135.11679	1.3
137.09642	0.9
145.10100	2.0
147.11664	2.0
149.02357	0.9
153.09221	0.9
157.10104	1.3
159.11681	1.2
161.09674	1.4
163.11200	1.0
169.10165	1.0
173.11839	1.1
173.13245	0.9
183.11624	1.2
223.13339	1.5
229.14546	1.2
243.08528	3.1
273.18628	1.0
275.20004	2.1
276.20438	1.6
291.19553	2.0
301.08972	1.0
331.18735	1.2
349.23856	1.1
365.23169	1.4
527.37653	1.2
528.37939	1.1
549.26532	4.3
565.26288	3.6
608.43933	1.1
611.29742	1.3
775.38745	2.0
867.57178	1.1
873.45642	100.0
874.45642	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	874.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
61.61810	2.3
64.43079	2.0
65.03922	5.5
67.05495	76.4
67.56990	2.3
69.03416	9.4
69.07056	73.4
70.06577	3.3
71.01318	3.9
71.04976	10.9
71.44054	3.1
73.02911	5.0
79.05484	94.7
81.03393	23.1
81.06555	5.5
81.07043	100.0
83.04970	19.1
83.08593	16.9
83.45554	2.4
85.02896	8.4
85.06541	2.5
87.07018	2.6
91.05464	72.4
93.06445	4.1
93.07023	66.1
95.04961	36.7
95.08598	33.3
96.08114	4.8
97.02877	21.7
97.06525	23.3
97.10139	14.0
103.05433	3.7
105.04506	4.3
105.07015	41.6
107.04943	21.5
107.08583	54.5
109.02886	7.7
109.06505	24.9
109.10142	40.7
111.04447	4.4
111.08076	9.9
113.05942	4.2
114.49663	2.7
115.05454	7.3
116.04703	4.2
117.07000	36.2
119.08558	49.7
121.02858	3.2
121.06493	13.2
121.10134	13.1
121.78060	2.8
123.04428	8.9
123.08055	17.5
123.11746	2.9
125.05949	5.5
125.09618	23.4
127.46744	2.7
128.06218	4.7
129.05473	14.7
129.06979	12.9
131.08539	25.3
133.06470	19.6
133.10107	18.6
135.04427	4.9
135.08034	50.1
135.11679	8.9
135.94313	2.5
137.09576	28.9
139.07512	3.9
141.07024	4.2
143.07024	11.3
143.08554	9.8
145.06454	10.0
145.10114	21.8
147.08023	16.5
147.11678	7.0
149.09601	17.5
151.07492	12.8
153.09074	15.7
155.08588	5.3
157.08629	6.0
157.10100	8.5
159.08029	11.0
159.11673	9.8
161.08292	2.9
161.09515	12.0
161.13245	7.6
163.07497	16.0
163.11119	7.8
165.09059	9.2
165.12718	4.3
169.10112	4.8
171.10126	7.3
171.11664	6.0
173.09590	7.8
173.11758	7.5
173.13202	6.0
175.11157	6.7
177.09044	2.9
177.12759	2.9
179.10719	3.7
181.08530	7.2
187.11180	3.4
187.14822	9.6
189.11188	6.5
189.12729	5.6
191.10672	3.8
193.08563	7.0
193.12187	16.4
197.13263	5.8
199.09569	4.8
199.13231	2.8
211.09547	2.9
215.14334	28.1
217.15775	3.0
219.13739	2.8
220.20201	2.8
221.11790	3.3
221.42650	3.0
227.12766	7.6
229.14261	14.5
233.15276	6.1
239.12685	4.1
243.13800	11.2
245.15410	3.2
245.19067	4.2
261.14758	16.8
265.83920	2.4
273.18475	25.1
275.20093	3.8
279.15881	4.3
289.17917	9.6
291.19455	10.6
307.19095	5.3
335.18515	8.5
347.22150	7.7
353.19510	79.1
363.21710	5.5
365.23126	16.7
381.22604	10.4
399.23737	33.3
425.21408	2.8
507.29422	23.5
529.31848	4.2
547.32788	7.2
573.30200	3.6
625.37097	11.5
643.38300	31.0
659.38434	5.9
677.38824	56.6
678.39465	3.2
874.45483	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.0
63.40218	2.5
65.03918	4.6
66.15015	2.3
66.16434	2.1
67.05495	79.0
69.03424	11.3
69.06699	4.2
69.07058	65.7
70.06574	5.3
71.01334	3.6
71.04980	7.4
73.02905	5.3
73.06572	4.1
79.05032	4.4
79.05485	83.4
81.03415	23.6
81.07047	100.0
83.04951	18.3
83.08601	14.4
85.02855	4.4
91.04008	2.8
91.05466	67.2
92.63737	2.6
93.07028	52.9
95.04961	34.1
95.08587	32.3
96.08107	5.5
97.02873	17.7
97.06503	21.2
97.10153	18.0
99.04449	3.1
99.08067	3.9
103.05474	3.0
105.04501	3.8
105.07018	42.2
107.04955	22.6
107.08577	52.6
109.02830	4.4
109.06495	22.7
109.09490	3.7
109.10148	33.7
111.04440	5.3
111.08050	7.4
112.25658	2.1
113.02384	3.1
114.21411	2.2
115.05456	6.5
116.04672	5.3
117.07005	30.5
119.08560	43.9
121.06464	11.1
121.10126	13.0
122.13344	2.3
123.04410	7.6
123.08054	14.8
125.05994	5.3
125.09612	18.8
126.09152	2.3
128.06194	3.9
129.05464	11.7
129.06917	10.8
130.07735	3.6
131.08545	25.7
133.06482	18.1
133.10110	15.0
135.04425	2.4
135.08037	42.7
135.11674	8.7
137.09592	28.6
139.07495	3.7
141.06929	3.0
143.07033	13.7
143.08499	8.5
145.06473	11.3
145.10081	20.6
147.08035	18.4
147.11642	7.4
147.69048	2.0
149.09619	17.1
149.13214	4.0
151.07539	11.1
151.11058	3.4
153.09056	15.4
155.05989	2.6
155.08510	6.3
155.10664	2.9
157.08723	4.2
157.10127	8.4
159.08017	11.0
159.11653	8.5
161.08272	2.4
161.09547	13.4
161.13251	4.4
163.07541	13.7
163.11165	8.4
165.09108	13.6
169.10115	4.1
171.10190	3.7
171.11617	4.7
173.09586	8.0
173.11681	7.1
173.13150	3.7
175.11118	5.6
177.09033	3.8
177.12688	4.3
179.06982	3.7
181.08519	6.3
181.09993	3.4
183.11664	3.0
186.08734	2.2
187.11119	6.1
187.14818	8.2
189.11111	5.5
189.12706	5.3
191.10652	4.5
193.12257	14.3
197.13297	4.3
199.09583	5.2
199.11209	4.0
199.13248	2.3
201.12697	5.0
205.08473	2.4
211.09563	2.6
215.14244	28.2
221.11592	2.8
227.12747	9.3
229.14288	17.2
233.15384	6.9
239.12743	5.1
243.13741	9.9
245.15454	4.9
261.14810	16.9
261.17294	2.4
261.18060	2.3
273.18402	25.5
275.19815	4.9
279.15897	4.3
289.17953	12.6
291.19495	13.2
307.18967	7.7
313.16495	3.9
335.18387	8.1
345.20480	2.3
347.21921	10.9
349.23648	2.6
353.19525	77.7
354.19943	2.8
363.21695	5.5
365.23132	16.6
381.22595	10.2
399.23770	29.7
449.25381	3.4
489.28424	3.9
503.33478	2.5
507.29532	22.7
529.31335	4.5
545.30750	2.6
547.32306	6.3
573.30469	3.5
607.36060	3.3
625.37482	13.1
625.46027	2.4
641.36212	4.0
643.38330	33.0
644.39032	4.4
659.37573	8.5
677.38739	66.3
678.38635	4.7
874.46082	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	874.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	9.5
65.03930	2.6
67.05498	59.2
69.03415	3.4
69.06708	1.4
69.07062	16.3
69.11349	3.3
69.11754	3.2
71.01357	1.9
71.04986	3.9
73.02905	2.0
77.03906	1.2
79.05482	49.2
81.03398	4.0
81.07048	50.2
83.04974	13.2
83.08610	11.5
85.02892	9.9
85.06532	2.9
91.03932	4.4
91.05470	36.3
93.07033	61.4
94.07352	1.2
95.04957	11.4
95.08594	34.2
97.02866	4.8
97.06520	9.9
97.10166	7.3
97.20098	1.0
98.23421	2.7
99.04443	1.7
99.08089	1.9
105.04501	3.2
105.07013	21.3
107.04955	3.7
107.08585	40.3
109.06523	4.2
109.10162	14.0
111.08054	4.9
117.07005	9.9
119.08563	20.6
121.06477	2.5
121.10127	19.3
123.08060	3.8
123.11682	3.6
125.09621	2.9
127.03870	1.9
128.06230	1.1
129.06982	3.4
130.07816	1.3
131.08556	12.6
133.10101	14.2
135.08052	2.8
135.11679	38.5
137.09604	1.3
137.13246	1.7
143.08525	3.2
145.04904	1.6
145.10092	16.5
147.08054	2.0
147.11658	8.0
149.09624	2.3
149.13229	5.9
153.12723	6.9
155.08475	1.8
157.10143	3.7
159.11650	7.3
161.09698	1.1
161.13226	5.1
163.05974	1.4
163.11130	5.2
163.14845	2.4
169.10178	1.2
171.11649	3.0
173.13254	5.2
175.11209	1.1
175.14830	1.9
177.12657	1.7
181.09843	1.1
181.12216	8.3
183.11691	1.9
185.13245	2.6
187.14857	2.1
197.13271	1.2
199.14792	1.4
227.12749	2.1
231.20973	1.6
239.32857	1.1
241.19463	3.1
243.08319	1.6
243.21245	1.7
253.14297	1.5
255.15891	52.5
257.19092	1.5
259.20422	9.0
261.22049	9.8
273.18430	4.0
275.19958	2.6
277.21567	1.2
291.19577	7.1
315.23120	2.2
317.24292	1.5
333.24176	11.3
335.25748	55.3
336.26099	2.4
347.22046	1.2
349.23721	1.4
383.19623	2.5
401.20761	4.7
423.32507	3.4
441.33435	1.4
515.37262	100.0
516.37787	5.6
533.38196	3.9
605.41724	1.2
623.42786	3.6
641.39746	1.3
659.40387	5.2
806.11072	1.2
874.46075	9.8
875.50842	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	874.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	6.8
65.03914	2.2
67.05494	59.2
69.03420	1.9
69.07063	13.3
71.04987	4.2
73.02908	3.4
79.05481	48.1
81.03407	5.3
81.07043	48.8
83.04979	11.2
83.08611	7.0
85.02890	10.3
91.03947	5.5
91.05470	25.8
93.07030	61.4
95.04967	9.8
95.08595	27.1
97.02870	5.8
97.06503	9.8
97.10167	8.0
99.08080	2.6
99.16891	1.6
105.04545	1.8
105.07005	13.9
107.04937	2.6
107.08574	36.4
109.06500	2.4
109.10130	17.9
111.08069	2.1
117.06989	9.2
119.08575	14.3
121.10129	19.2
123.08051	2.0
123.11687	4.8
125.09634	2.9
127.03944	2.1
131.08546	9.9
133.10100	10.1
135.08112	2.1
135.11671	51.1
137.13226	2.0
143.08578	2.3
145.04970	2.5
145.10085	13.8
147.11656	4.6
149.13223	5.6
153.12749	6.4
154.36240	1.5
159.11696	3.7
161.13234	3.2
163.06059	2.2
163.11163	6.2
163.14815	3.2
173.13303	2.6
181.10718	2.4
181.12184	12.7
187.14815	3.5
189.11142	1.7
192.17697	1.6
199.13167	1.8
227.12724	2.3
243.21202	3.1
253.14348	3.0
255.15871	100.0
256.16165	2.8
259.20563	3.1
261.22095	7.9
277.21292	2.1
291.19601	2.2
317.24738	2.7
333.24487	2.0
335.21643	3.1
335.25739	61.5
336.26019	2.8
423.32657	3.3
441.33655	3.0
515.37238	83.4
516.37616	4.0
533.38202	2.4
559.21021	1.7
703.37878	1.9
768.78046	1.9
874.47357	14.8
875.50958	11.0
895.80457	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.3
67.05494	3.7
68.05867	0.3
69.03419	3.2
69.07052	2.7
71.01358	0.6
71.04979	0.5
73.02901	3.0
79.05482	3.4
81.03413	1.8
81.07040	4.7
83.04981	1.3
83.08650	1.7
85.02898	4.2
86.28283	0.3
91.03957	2.0
91.05470	3.6
93.07027	3.1
95.04961	1.8
95.08590	1.8
96.09015	0.4
97.02875	3.5
97.06539	0.8
97.10184	0.8
99.04468	0.9
101.02382	1.2
103.03971	0.5
105.07005	2.4
107.04950	1.4
107.08577	2.3
109.02865	0.9
109.06539	1.0
109.10175	1.6
111.04469	0.6
111.08086	0.5
115.03948	0.4
116.09800	0.3
117.07044	1.4
117.31131	0.3
119.08589	2.0
121.06551	0.5
121.10129	0.6
123.04413	0.5
123.08086	0.5
125.09668	0.7
127.03954	0.9
131.08594	1.2
133.06490	0.5
133.10138	2.3
135.08040	0.8
135.11728	0.7
136.08492	0.3
136.91846	0.3
145.06473	0.5
145.10159	1.3
147.08084	0.6
147.11768	0.7
149.09619	1.0
151.11156	0.6
155.08611	0.4
159.08080	0.5
159.11713	0.5
161.09633	0.8
162.10068	0.4
163.07509	0.7
163.11209	1.1
169.10081	0.4
175.11185	0.4
179.10637	0.4
185.04245	0.7
193.12328	0.7
201.12952	0.4
215.14377	0.7
227.12798	0.4
234.39867	0.4
243.08351	4.2
251.12115	0.5
275.19974	0.4
289.17981	1.0
301.09085	0.5
315.11404	0.4
333.20248	3.1
347.18280	0.8
369.15302	0.5
371.16168	1.6
372.16788	0.8
373.16019	0.4
381.22855	1.1
382.23093	0.8
389.23001	1.0
400.93967	0.4
429.17535	0.4
439.19583	1.0
467.19006	0.6
469.20200	0.5
479.19067	0.5
512.06152	0.4
533.27209	0.7
551.28076	7.6
565.26080	5.9
623.30841	0.7
660.33502	0.5
678.34882	1.8
679.35632	1.1
696.82983	0.5
777.39948	0.6
875.47382	100.0
876.47913	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	875.4748
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02920	4.0
61.84946	0.3
67.05495	4.2
69.03429	2.4
69.07062	2.6
69.95118	1.0
71.01366	0.4
71.04989	0.7
73.02897	3.0
73.72375	0.3
79.05489	4.0
81.03410	1.4
81.07049	6.9
83.04980	0.9
83.08617	1.0
85.02903	3.9
87.04485	0.4
91.03931	2.1
91.05486	2.6
93.07043	2.9
95.04981	1.5
95.08613	2.4
97.02884	4.0
97.06549	0.9
97.10183	0.7
97.70559	0.3
99.04427	0.6
101.02392	1.5
105.07022	2.7
107.04966	1.1
107.08584	1.7
109.02863	0.7
109.06508	1.1
109.10165	1.2
111.08042	0.6
117.06989	0.8
119.08549	2.0
121.06528	0.7
121.10168	1.1
123.08089	0.7
123.11672	0.6
125.09665	0.6
127.03924	1.0
129.05573	0.4
131.08580	1.1
133.10170	1.4
135.08076	1.1
135.09109	0.3
135.11707	0.7
137.09622	0.5
145.10141	1.3
147.11693	1.1
149.09665	0.8
157.10210	0.5
159.11716	0.4
161.09674	0.7
163.11143	0.8
165.12764	0.4
185.04247	0.9
188.71657	0.4
193.12355	0.5
203.05231	0.6
241.07004	0.3
243.08360	4.7
243.10530	0.4
259.08066	0.4
273.23770	0.4
275.20010	0.6
283.15518	0.9
289.18341	0.3
291.19263	0.4
292.96246	0.4
301.08890	0.8
307.22714	0.7
313.08917	0.4
315.10706	0.4
333.20267	2.2
347.18231	0.9
369.15372	0.6
371.58646	0.4
373.11075	0.5
389.23145	0.7
423.19598	0.6
439.19464	0.7
467.19135	0.8
479.18933	0.5
481.20416	0.6
515.33533	0.4
516.34674	0.4
551.28278	7.1
565.26196	4.4
623.30029	0.9
679.35706	0.4
713.42499	0.4
749.39996	0.6
875.47443	100.0
876.47705	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	875.4754
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02916	3.0
65.03938	0.2
67.05495	2.2
69.03423	2.3
69.07063	1.9
69.73260	0.2
69.73578	0.5
71.01355	0.3
71.04979	0.6
73.02911	2.0
73.96156	0.2
75.21091	0.2
79.05483	2.8
81.03414	1.5
81.07044	3.1
83.04969	1.2
83.08612	1.8
85.02897	3.2
87.04472	0.3
91.03959	1.5
91.05464	2.4
93.07034	2.8
95.04954	2.2
95.05450	0.2
95.08566	1.5
97.02883	3.2
97.06532	0.4
97.10161	1.0
99.04462	1.2
101.02362	1.5
103.03947	0.2
105.07027	1.7
107.04923	1.1
107.08570	2.3
109.02879	0.6
109.06520	0.8
109.10123	1.0
111.04412	1.0
111.08090	0.2
117.07019	0.9
119.08560	1.7
121.06554	0.6
121.10119	1.0
123.04457	0.4
123.08041	0.4
125.09644	0.8
127.03928	0.8
129.07007	0.4
131.08580	0.8
133.10126	1.5
135.08072	0.9
135.11720	0.6
137.09608	0.3
139.11241	0.3
143.08568	0.3
145.04988	0.2
145.06465	0.3
145.10106	1.2
147.08035	0.4
147.11751	0.5
149.09618	0.9
151.11156	0.5
153.09158	0.2
153.12724	0.3
159.08098	0.2
159.11696	0.4
161.09634	0.4
163.11182	1.1
181.12242	0.3
185.04292	0.6
187.11316	0.2
189.11154	0.2
191.10786	0.2
193.12238	0.4
194.29684	0.2
201.03725	0.2
203.05298	0.3
223.13371	0.3
241.06876	0.3
243.08380	3.9
275.20160	0.7
289.14648	0.2
289.18076	0.5
293.21085	0.3
301.09048	0.6
303.19168	0.2
315.10327	0.3
333.20349	2.1
347.18143	0.9
369.15353	0.4
371.16699	0.2
373.10992	0.3
383.16776	0.3
389.23187	0.7
403.21207	0.3
439.19528	0.6
467.18915	0.6
479.19022	0.4
495.18152	0.3
535.10419	0.2
551.28174	7.6
552.28613	0.4
565.26062	4.7
623.30585	0.4
679.36688	0.4
749.39966	0.4
777.40582	0.4
829.00439	0.2
875.47412	100.0
876.47656	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	875.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.1
63.14208	0.3
67.05495	2.6
69.03432	1.4
69.07066	1.6
69.76720	0.9
71.01384	0.3
71.04990	0.5
73.02919	2.2
79.05489	3.4
81.03403	2.0
81.07047	6.1
83.04989	1.5
83.08639	0.5
84.64876	0.3
85.02898	2.4
91.03967	1.1
91.05469	2.3
93.07034	3.0
95.04955	1.4
95.08563	1.4
97.02863	1.9
97.06569	0.7
97.10181	1.4
98.22695	0.4
99.04459	0.6
101.02369	0.6
105.07019	1.8
107.04967	0.5
107.08566	1.5
109.06496	2.5
109.10157	1.1
109.10910	0.3
111.04443	0.5
111.08106	0.6
115.03940	0.3
117.07049	1.0
119.08563	1.6
121.06519	0.8
121.10163	1.1
123.04211	0.3
123.08089	1.4
125.09657	1.0
127.03924	0.5
129.07016	0.5
131.08604	0.6
133.06512	0.5
133.10135	0.9
135.08057	0.3
135.11723	0.9
137.09639	0.3
143.08580	0.5
145.10175	0.8
147.11685	0.3
149.09676	0.4
153.58192	0.3
161.09657	0.9
163.11232	1.2
171.11755	0.3
185.04196	0.6
189.11284	0.4
201.03719	0.7
203.05527	0.3
227.12704	0.4
241.06819	0.6
243.08369	3.9
279.12146	0.5
291.19601	0.5
301.09097	0.8
313.08987	0.7
313.17734	0.5
315.10419	0.7
331.18750	2.9
349.19858	1.6
369.15610	0.4
369.20169	0.4
385.18246	0.5
387.21326	0.5
405.22522	0.5
423.20782	0.3
443.19150	0.3
451.19308	0.4
493.24088	0.9
521.26868	0.4
531.25720	0.8
549.26624	6.0
551.28174	0.7
565.26239	0.5
567.27808	4.9
621.29028	1.2
691.36938	0.7
759.39160	1.2
875.47491	100.0
876.47784	6.1
905.49414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	3.4
67.05494	5.2
69.03427	2.4
69.07066	2.1
71.04996	2.1
72.05274	0.5
73.02914	2.8
79.05488	4.6
81.03416	1.7
81.07042	7.9
83.08629	1.9
85.02881	4.3
91.03951	2.0
91.05476	2.8
93.07041	3.5
95.04964	1.7
95.08610	2.3
97.02864	3.1
97.06518	0.9
98.23434	2.3
99.04456	0.8
99.08082	0.8
101.02387	1.2
105.06991	3.0
107.04996	0.9
107.08611	2.6
109.06544	1.6
109.10159	1.4
117.07030	1.2
119.08596	2.4
120.89307	0.6
121.10163	1.6
123.08116	1.0
131.08580	1.6
133.10167	1.2
135.08192	0.5
135.11687	1.2
145.10172	1.6
147.11696	1.5
149.09599	1.0
158.12384	0.6
159.11682	0.7
243.08372	3.6
275.20096	0.9
281.49890	0.6
313.09158	1.0
333.20300	1.5
335.26050	0.7
347.22141	2.6
403.24707	0.9
404.19559	0.7
423.19815	0.8
481.20557	2.8
551.28265	6.9
565.29718	7.0
691.49023	0.8
789.37561	0.7
791.42731	0.9
875.51086	100.0
876.51099	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	875.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.9
65.03955	0.6
67.05498	5.4
69.03432	2.3
69.07073	2.1
69.22180	3.3
71.04996	1.0
73.02905	2.5
79.05485	4.1
81.03426	1.5
81.07040	8.0
83.04964	1.0
83.08614	2.6
85.02904	3.2
86.42609	0.7
87.04448	0.8
91.03962	1.7
91.05457	2.8
93.07026	4.3
95.04982	2.1
95.08607	3.5
97.02910	2.5
97.06541	1.4
98.23421	1.2
99.18288	0.6
101.02402	0.7
105.07000	2.8
106.66716	0.5
107.04982	1.3
107.08623	2.3
109.06524	1.3
109.10177	1.6
117.07034	1.5
119.08607	2.1
121.06514	0.7
121.10175	1.9
123.08093	1.5
127.03941	0.6
131.08594	1.3
133.10167	2.3
135.08099	0.7
135.11671	1.0
145.10182	1.2
147.11676	1.5
147.54114	0.5
149.09671	0.9
153.61282	0.5
157.10094	0.7
159.11708	1.0
163.11288	1.3
171.11758	0.5
243.08337	2.9
255.15939	0.8
256.16318	0.6
275.20120	2.0
276.20419	0.9
333.20261	1.0
347.22305	1.1
413.18652	0.5
423.19913	0.6
425.21814	0.7
452.60251	0.6
472.40585	0.6
472.55960	0.6
516.37848	0.9
551.28162	4.9
565.29602	6.8
618.08173	0.7
629.26282	0.6
678.40546	1.9
875.51105	100.0
876.51288	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	876.327
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.2
65.03918	0.9
69.03422	9.0
69.62243	0.9
69.67513	0.2
71.04967	0.9
73.02895	0.5
77.03907	2.0
79.05489	3.1
80.94024	0.2
81.03407	11.3
85.02894	11.2
87.04517	0.3
91.03919	0.2
91.05470	8.9
91.06049	0.4
95.04957	13.8
97.02879	8.0
99.04458	1.8
103.03920	0.3
105.03379	100.0
105.04386	5.1
106.03705	1.3
107.04987	0.2
109.02862	8.5
111.04444	0.2
115.03902	0.3
118.59801	0.2
119.04926	7.4
119.42438	0.2
122.51854	0.2
123.04415	6.7
123.05263	0.4
123.08053	0.6
127.03902	7.9
136.05177	0.9
137.05963	3.4
145.04933	2.8
151.07521	43.5
152.07886	0.6
164.10730	1.1
165.05528	0.4
180.10205	0.8
182.11742	42.4
183.12135	0.8
193.08597	0.3
195.06500	0.8
231.06490	2.3
235.01018	0.2
249.07552	15.8
250.07990	0.4
251.10925	0.2
267.08609	15.1
268.08975	0.3
279.10107	0.4
294.12479	1.4
295.09729	0.5
302.37000	0.2
310.11951	0.5
325.14331	1.0
342.16711	0.2
448.19608	8.2
610.24640	0.3
714.27789	0.8
858.31207	1.1
876.32635	12.6
877.32904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	0.8
65.03920	0.9
69.03067	0.4
69.03423	7.2
71.04977	0.9
71.32823	0.3
72.49252	0.2
73.02905	0.7
74.50469	0.3
76.66048	0.3
77.03924	2.4
79.05481	3.6
79.76091	0.3
81.03407	12.0
85.02396	0.5
85.02891	11.3
91.05466	9.5
95.04955	14.4
96.05272	0.3
97.02879	7.8
99.04432	1.6
103.03940	0.5
104.73322	0.3
105.03377	100.0
105.04384	5.2
106.03709	0.5
107.04942	0.5
109.02866	7.9
119.04918	7.6
123.04411	5.3
127.03886	7.5
136.05183	1.0
137.05951	2.8
144.41675	0.3
145.04903	2.5
149.08382	0.5
151.07516	43.8
152.07910	0.4
164.10721	1.5
165.05534	0.3
177.05388	0.5
180.10184	0.7
182.11736	40.8
183.12122	0.6
206.04526	0.3
224.12657	0.5
231.06514	1.7
249.07535	12.9
267.08594	13.3
268.09027	0.4
279.10126	0.6
294.12469	1.5
310.11984	0.7
325.14465	1.4
342.17252	0.4
430.18726	0.4
448.19623	7.3
474.46576	0.3
497.14816	0.4
714.27228	0.7
720.14648	0.3
858.31976	1.4
876.32501	10.4
877.33008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	3.1
67.05149	3.9
67.05493	47.6
69.03423	7.4
69.07053	38.9
69.79250	6.1
70.40482	1.6
71.01344	2.9
71.04974	3.1
72.29817	1.8
73.02894	2.6
73.06540	2.6
77.03909	2.0
79.05479	59.0
81.03407	16.1
81.07042	100.0
83.04970	16.9
83.08602	14.7
85.02879	3.7
85.46716	1.7
91.05464	40.0
93.07021	39.9
95.04937	21.4
95.08598	20.5
96.53934	1.8
97.02871	12.0
97.06509	17.5
97.10145	15.5
98.22734	3.9
99.04449	2.8
99.08116	4.8
105.04536	4.1
105.07014	25.9
107.04939	19.3
107.08571	31.3
109.02846	3.4
109.06499	22.1
109.10151	13.9
111.04436	11.0
111.08053	9.9
115.05428	2.8
115.07550	2.1
117.07008	17.1
119.04904	2.6
119.08563	31.7
121.06466	10.3
121.10135	12.4
123.04430	4.8
123.08044	19.4
125.05978	3.2
125.09610	21.7
127.07511	3.4
128.06197	3.4
129.05441	16.2
129.06985	8.2
131.04948	2.3
131.08542	15.9
133.06476	5.6
133.10127	12.8
135.08049	24.8
135.11661	11.3
137.09586	17.3
143.06987	15.9
143.08549	5.1
145.06480	3.5
145.10095	11.1
147.08035	19.2
147.11681	5.2
149.09558	13.2
151.07523	2.7
151.11241	2.2
153.09064	15.5
153.12700	3.9
155.08537	3.6
157.10127	6.8
159.08020	4.2
159.11746	5.6
161.05946	2.7
161.08279	3.1
161.09567	14.2
163.07480	4.0
163.11165	13.8
165.09093	10.4
169.10077	2.8
171.10225	3.4
171.11647	5.5
173.09549	2.5
173.11748	2.5
175.11189	6.3
177.09094	3.1
177.12730	2.7
181.12286	4.0
183.10153	2.7
185.09593	2.7
185.13297	2.9
187.11226	2.2
189.11169	11.2
191.10652	6.6
191.14253	2.0
193.12242	11.0
197.13374	2.5
199.09615	4.1
199.14766	4.3
201.11191	9.8
201.12817	2.7
209.11662	2.6
211.09557	3.1
215.14287	2.5
217.15855	6.9
223.13261	3.7
227.12614	15.6
229.14058	2.1
245.15373	22.4
245.19006	4.3
249.15120	1.9
252.57539	1.7
255.17511	3.5
261.14792	3.7
263.16443	8.5
273.18460	28.6
281.17459	2.2
283.15387	2.8
289.17975	7.3
291.19495	53.1
291.22617	3.8
306.66504	1.8
307.18893	2.7
309.20605	3.3
319.18964	6.3
337.19937	14.7
347.22162	7.7
353.19449	2.6
355.21130	4.7
365.23169	22.1
371.20551	35.2
383.24274	8.5
399.23853	4.0
414.93750	2.0
491.29767	4.7
513.14288	2.6
609.37683	3.6
627.38623	10.6
643.38690	4.9
645.39185	3.8
661.39447	12.5
675.42505	2.0
679.40039	7.4
827.19250	2.2
876.46991	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	10.6
61.73881	2.2
65.03926	4.1
67.05498	57.4
69.03419	4.1
69.07064	21.2
70.06571	2.8
71.04982	6.4
73.02915	3.5
79.05482	42.8
81.03418	3.1
81.07047	78.3
83.04958	5.1
83.08602	10.2
85.02885	12.1
85.06520	2.8
91.03935	4.2
91.05472	30.7
93.07030	44.3
95.04972	11.2
95.08598	54.8
97.02852	4.8
97.06519	5.7
97.10155	4.9
99.04377	2.5
99.08084	2.6
105.04489	2.7
105.07018	41.5
107.04924	3.9
107.08573	27.5
109.06495	3.8
109.10152	19.8
111.08080	2.5
117.07002	8.6
119.08569	32.3
121.10126	28.5
123.08054	4.5
123.11690	4.3
125.09593	2.1
127.03919	4.0
129.06949	5.9
131.08554	14.4
133.10100	22.4
135.08017	2.4
135.11687	11.4
137.09642	3.4
137.13239	3.0
143.08537	6.9
145.04906	2.9
145.10114	20.7
147.11673	22.6
149.09586	4.8
149.13258	11.7
157.10109	6.7
159.11656	12.9
161.13220	6.8
163.11192	4.4
163.14780	3.2
165.12766	3.9
169.10234	2.2
171.11638	5.9
173.13252	9.3
175.14836	4.9
185.13245	5.8
187.14827	5.7
189.16373	2.5
199.14856	4.9
201.16335	3.2
231.17482	2.3
236.97055	2.0
239.16293	15.2
241.18039	6.4
259.20547	6.3
275.19852	3.4
287.23721	3.3
307.22421	2.5
315.23401	3.4
335.25735	20.3
349.23596	4.9
373.17526	2.8
405.30374	3.4
407.32870	4.2
425.33939	16.8
443.34995	5.4
499.37769	29.4
500.38354	2.6
517.38843	100.0
518.38983	7.9
611.39264	3.0
620.49695	2.4
876.47144	38.0
877.47357	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	877.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
67.05501	1.8
69.03439	0.6
69.07056	1.1
69.08788	3.5
73.02905	0.8
75.05681	0.5
79.05469	0.8
81.03408	0.8
81.07056	1.2
85.02898	1.1
91.04020	0.5
91.05481	1.6
93.07035	1.7
95.04993	0.9
95.08604	0.6
97.02886	1.1
98.22713	1.2
100.17307	0.5
104.10715	0.6
105.07001	0.7
109.10159	0.6
119.08588	0.6
121.10123	0.7
123.27650	0.6
126.58023	0.5
133.10057	0.5
143.59695	0.6
149.02339	0.9
158.82002	0.4
161.09644	0.6
163.11182	0.6
228.76234	0.6
240.16533	0.6
248.90857	0.5
301.09100	0.8
333.20618	0.7
349.16650	2.7
541.21954	0.8
551.27637	0.8
567.25183	2.8
585.25842	0.7
749.40283	0.7
791.41693	1.4
859.47699	0.7
876.48456	0.8
877.47070	100.0
878.46857	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	877.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	0.8
67.05505	1.4
69.03429	0.6
69.07072	0.9
70.06584	0.5
79.05503	1.7
81.03421	0.4
81.07051	1.9
85.02914	0.9
91.05499	0.6
93.07039	1.4
95.08627	1.1
97.02915	0.5
101.02390	0.5
105.07035	0.7
107.08559	0.5
109.10142	0.5
117.06997	0.6
119.08613	0.6
133.10136	0.5
163.11296	0.5
170.57568	0.4
192.58926	0.4
232.39565	0.4
301.08939	0.6
316.54825	0.4
331.15967	0.8
349.16974	1.2
367.18176	0.5
479.55292	0.4
496.16943	0.5
535.28284	0.6
551.27289	0.8
567.25153	2.5
585.25946	1.0
680.36322	0.5
726.64874	0.5
749.40649	1.3
791.39832	0.7
792.48163	0.4
859.47736	0.5
877.47028	100.0
878.47375	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	877.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.6
67.05491	3.7
69.03415	1.1
69.07051	2.0
70.06575	2.6
73.02905	2.1
79.05495	3.3
81.03392	0.7
81.07059	3.8
83.08621	0.8
85.02895	2.0
91.03940	1.5
91.05463	2.2
93.07069	3.1
95.04955	1.3
95.08602	2.4
97.02884	1.8
99.04404	0.5
101.02418	0.6
102.44718	0.5
105.07013	1.4
107.04897	0.7
107.08582	1.5
109.10130	0.8
110.56969	0.5
117.07024	1.0
119.08560	1.3
120.14259	0.5
121.06534	0.6
121.10097	0.6
131.08578	0.7
133.10107	1.1
135.11656	0.9
145.10062	0.6
222.42024	0.6
243.08481	2.4
290.47452	0.6
305.78128	0.5
315.10376	0.9
331.15930	0.9
349.16809	3.8
355.51993	0.5
365.22974	1.1
385.18469	0.8
535.28461	2.1
551.28375	1.1
553.29523	1.3
567.25787	1.6
568.98206	0.7
583.30597	1.8
585.25580	0.7
749.40753	0.8
877.47729	100.0
878.47986	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	877.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.4
65.03948	0.3
67.05491	3.1
69.03423	1.9
69.07066	2.4
69.22266	1.7
71.04961	0.5
73.02923	2.3
79.05485	3.1
80.88315	0.3
81.03418	1.7
81.07040	5.7
81.07491	0.4
83.04972	0.9
83.08619	0.9
85.02895	3.4
91.03944	1.7
91.05473	2.2
91.23825	0.3
93.07035	2.1
95.04969	1.0
95.08589	1.9
97.02885	2.8
97.06535	0.7
97.10136	1.5
99.04444	0.9
100.33860	0.3
101.02356	1.3
103.03939	0.3
104.68844	0.3
105.07014	2.0
105.07628	0.3
107.04953	0.8
107.08607	1.8
109.02882	0.5
109.06529	1.0
109.10172	0.9
111.04436	0.7
111.08084	0.4
117.06989	0.7
119.08605	1.7
121.06501	0.3
121.10151	0.9
123.08083	0.9
123.11721	0.4
125.09635	1.5
127.03903	0.9
129.07011	0.5
131.08595	1.0
133.06508	0.3
133.09161	0.3
133.10139	1.0
135.08058	0.3
135.11726	0.5
145.10132	0.7
147.11703	1.3
149.09607	0.7
149.13223	0.3
157.10077	0.4
159.11693	0.5
163.11241	0.9
177.12840	0.3
185.04155	0.5
201.03711	0.5
203.05301	0.3
243.08354	4.5
243.10495	0.4
256.64014	0.3
301.09045	1.0
303.19345	0.3
313.09064	0.9
315.10590	1.0
333.20294	3.1
349.19977	1.6
369.15366	0.7
371.16870	0.7
383.17044	0.5
385.18350	0.5
389.23019	0.8
405.22626	1.0
423.20209	0.9
425.21255	0.4
439.19366	0.3
451.19406	0.4
481.20407	0.7
483.22583	0.4
497.19888	0.8
551.28241	5.3
567.27637	6.8
568.28210	0.4
599.84497	0.3
623.30975	0.8
629.62512	0.3
653.30719	0.4
693.37750	0.4
697.44659	0.8
704.44287	0.3
749.41119	0.6
761.40552	0.5
807.41766	0.4
877.48993	100.0
878.49353	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	877.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.9
67.05498	3.6
69.03410	2.1
69.07066	2.2
70.67518	0.3
71.01362	0.5
71.04984	0.7
73.02900	2.3
74.33374	0.2
79.05479	3.7
81.03408	1.7
81.07048	4.3
83.05001	1.2
83.08600	1.7
85.02906	3.3
91.03960	1.4
91.05465	3.5
93.07037	2.6
95.04966	1.4
95.08595	1.8
97.02881	3.0
97.06546	0.6
97.10146	1.4
99.04456	0.6
101.02399	0.9
103.03954	0.5
105.07028	2.4
106.07384	0.4
107.04968	1.2
107.08562	1.8
109.02861	0.4
109.06533	0.8
109.10177	1.0
111.04459	0.9
111.08086	0.5
117.07037	0.8
119.08559	2.2
121.06522	0.8
121.10152	1.0
123.07257	0.3
123.08102	1.0
125.09672	0.9
127.03901	0.4
129.07010	0.6
131.08594	1.1
133.06512	0.5
133.10144	1.8
135.08070	0.8
135.11644	0.6
137.09660	0.4
138.95398	0.3
139.11234	0.3
143.08563	0.3
145.10162	1.1
147.08055	0.4
147.11703	0.8
149.09616	1.0
151.11208	0.4
155.08635	0.5
157.10152	0.4
159.11690	0.5
161.09669	0.3
163.11147	1.4
165.09315	0.3
171.11720	0.3
173.09782	0.4
181.12151	0.3
185.04263	0.7
187.11220	0.3
189.11281	0.4
203.05411	0.4
227.12746	0.4
243.08389	2.8
273.18402	0.7
291.19681	1.0
292.19983	0.6
301.09021	0.9
313.08780	0.3
315.10629	0.3
319.18637	0.4
333.20355	3.1
349.19910	1.3
355.50110	0.3
365.23303	0.7
369.15195	0.4
371.16531	0.8
372.16559	0.6
373.11172	0.4
389.23099	0.7
405.22610	0.5
446.20728	0.3
451.19513	0.5
497.20001	0.4
533.27460	0.4
551.28192	5.7
551.36414	0.3
567.27667	6.0
623.30353	1.0
635.84607	0.3
662.35437	1.0
679.35809	0.4
680.36682	0.8
715.44135	0.5
761.40778	0.5
877.49030	100.0
878.49359	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	877.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.6
65.79484	0.2
67.05499	3.0
69.03419	2.3
69.07057	2.5
69.16077	1.4
71.04986	0.4
71.16381	0.2
73.02906	2.4
79.05481	3.2
81.03407	2.0
81.07042	4.1
81.07485	0.3
83.04963	1.3
83.08613	2.2
85.02895	2.8
85.06544	0.3
91.03948	1.5
91.05478	2.7
93.07040	3.2
95.04949	2.5
95.08587	2.1
97.02879	2.5
97.06521	1.0
97.10158	1.3
99.04423	1.2
101.02378	0.9
105.04507	0.3
105.06993	1.5
107.04317	0.2
107.04949	0.9
107.08585	2.6
109.02863	0.6
109.06506	1.2
109.10155	1.2
111.04426	1.7
111.08068	0.5
117.07027	0.9
119.08538	1.8
121.06504	0.4
121.10144	1.6
123.08069	1.0
125.05975	0.2
125.09609	1.3
127.03918	0.8
129.07062	0.5
131.08565	1.3
133.06514	0.3
133.10062	1.0
135.08063	0.6
135.11678	1.2
137.09639	0.8
139.11169	0.3
145.06487	0.3
145.10121	1.3
147.08032	0.5
147.11729	0.7
149.09628	1.3
149.13301	0.2
151.11079	0.2
153.12698	0.3
155.08667	0.2
157.10048	0.4
159.11726	0.6
161.09521	0.5
163.11171	1.3
165.09132	0.4
165.12737	0.4
171.11719	0.4
173.09555	0.3
175.11218	0.4
177.12865	0.3
181.12167	0.3
185.04233	0.6
187.11168	0.3
189.11250	0.6
189.12822	0.3
193.12369	0.3
200.98900	0.2
203.05302	0.5
204.45740	0.2
214.37314	0.2
216.92123	0.2
217.16106	0.3
223.13402	0.5
243.08362	3.4
243.10542	0.3
245.15530	0.7
263.16516	0.5
273.18552	0.5
275.20093	0.8
291.19601	0.4
301.09030	0.8
303.19382	0.4
313.08902	0.5
315.10599	0.5
319.18970	0.4
333.20291	1.9
333.23254	0.2
337.20148	0.5
343.13754	0.3
349.19870	1.9
369.15170	0.2
371.16901	0.4
383.16519	0.5
389.23068	0.7
401.20892	0.4
405.22467	0.6
431.24194	0.3
451.19418	0.4
497.20007	0.3
541.23486	0.3
550.32568	0.2
551.28204	8.5
552.28815	0.4
567.27789	4.9
567.36737	0.3
623.30780	1.0
627.37317	0.2
693.38458	0.4
761.40808	0.9
877.49030	100.0
878.49335	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	878.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	4.9
65.03930	3.3
67.05154	2.4
67.05499	45.9
69.03431	8.4
69.07060	27.7
69.59914	1.5
71.04980	5.5
73.02922	4.0
73.17751	1.7
75.00018	1.6
77.03940	1.4
79.05487	62.4
81.03410	14.8
81.07045	100.0
83.04972	11.0
83.08624	15.7
85.02894	7.7
85.06547	1.9
91.05470	60.8
93.07032	57.4
95.04957	26.4
95.08592	25.3
97.02873	4.0
97.06528	10.2
97.10157	17.1
98.23460	6.4
99.04442	4.4
99.08089	1.5
103.05481	3.0
105.04494	3.2
105.07017	32.5
106.43565	1.4
107.04935	18.4
107.08578	31.2
109.02893	1.7
109.06505	18.8
109.10142	14.3
111.04422	7.1
111.08109	7.3
111.49952	1.5
115.05426	3.9
117.01041	2.7
117.07008	24.0
119.04954	2.6
119.08564	36.6
121.06484	16.1
121.10131	14.9
123.08052	25.4
123.11729	2.3
125.06011	1.8
125.09624	16.3
127.03947	1.7
128.06212	3.5
129.05464	1.7
129.06981	20.8
131.04901	2.7
131.08559	21.0
133.06471	10.0
133.10106	17.9
135.08043	17.9
135.11703	11.7
137.05974	4.4
137.09604	10.0
139.11165	1.8
141.06981	3.2
142.07733	3.6
143.08565	15.7
145.06462	4.6
145.10092	16.1
147.08041	26.1
147.11610	7.7
149.05954	1.9
149.09624	13.2
149.13283	1.7
153.09088	2.8
153.12740	3.8
155.08502	2.8
157.06483	3.0
157.10149	14.0
159.08047	4.4
159.11703	3.9
161.05989	1.7
161.09578	17.1
161.13217	2.7
163.07568	2.3
163.11156	15.1
164.07059	4.5
165.09106	5.4
169.10077	2.5
171.08063	2.4
171.11697	5.5
173.09668	4.5
173.13181	2.6
175.07558	2.4
175.11136	3.5
177.07814	6.7
177.09154	3.4
181.12190	5.6
183.05748	2.3
183.11690	3.4
185.09573	3.2
185.13258	4.3
189.11195	11.2
189.12697	2.7
189.16359	2.2
190.08598	1.9
191.10686	5.5
193.12190	3.7
197.07262	6.3
199.11104	2.5
199.14789	11.9
203.14351	1.9
209.11644	2.2
216.71729	1.4
217.15858	7.3
223.13370	3.7
227.12576	16.5
227.14685	2.4
227.17831	2.2
229.49342	1.7
235.12541	3.3
245.13196	2.6
245.15407	35.1
245.18909	3.5
246.15694	1.4
250.89922	1.8
253.13533	15.0
255.17271	3.6
263.16321	3.9
273.18454	33.8
274.18027	6.4
276.49387	1.8
281.12991	7.7
283.15231	6.0
291.19513	63.5
299.14072	4.7
302.17444	10.5
308.83160	1.7
309.20609	9.0
319.19000	13.5
320.18546	6.3
335.25568	4.9
337.19876	2.8
347.22012	10.4
355.16638	30.5
365.23212	37.9
373.17691	46.7
376.20914	2.1
383.24298	15.8
394.22220	2.7
519.33417	2.0
525.25928	3.1
551.27991	1.9
609.37927	10.7
627.37976	6.4
645.35266	24.4
646.35791	2.5
654.43408	13.4
663.25903	2.8
663.36462	28.3
681.37311	13.0
698.46222	19.1
716.46857	3.5
816.49011	16.3
860.51160	23.5
878.49683	57.1
879.48743	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	878.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.9
65.03933	4.0
67.02228	1.1
67.05495	41.1
69.03423	8.1
69.07063	26.4
70.69415	1.7
71.04982	5.0
73.02910	2.1
75.00012	1.3
77.03944	1.3
77.77546	1.3
79.05483	57.0
81.03405	13.7
81.07049	100.0
82.07401	2.1
83.04985	12.2
83.08611	16.0
85.02884	6.9
85.06563	2.3
91.03938	1.9
91.05470	46.7
93.07032	53.2
95.04959	27.9
95.08601	20.2
97.02861	3.3
97.06512	9.7
97.10149	16.0
99.04436	2.3
99.08095	2.8
101.01591	1.4
101.02333	2.0
103.05466	3.1
105.03365	1.4
105.04530	4.3
105.07023	34.7
107.04948	14.6
107.08585	25.7
109.06501	19.7
109.10147	12.5
111.04439	10.3
111.08075	6.6
115.05428	3.9
116.06287	1.8
117.01060	2.0
117.07005	23.8
119.04949	2.2
119.08569	37.2
121.06497	14.9
121.10126	14.9
123.04420	2.5
123.08053	22.5
123.11758	1.8
125.05978	2.1
125.09606	17.0
128.06223	4.3
129.05479	2.3
129.06978	16.7
131.04930	1.4
131.08575	18.8
131.09470	2.2
133.06470	8.2
133.10112	15.7
135.08034	19.6
135.11646	8.5
137.05899	2.7
137.09598	9.6
142.07748	2.9
143.07047	2.0
143.08531	17.3
144.89868	1.3
145.06499	4.2
145.10110	18.3
147.08047	21.7
147.11627	7.0
149.09615	12.3
151.07524	1.5
151.11147	1.8
153.09117	4.1
153.12733	6.1
155.06155	1.5
155.08549	3.1
156.09329	1.4
157.10118	15.0
159.08076	4.8
159.11687	5.6
161.09578	16.5
161.13246	2.8
163.07570	1.8
163.11176	16.1
165.04529	1.5
165.09146	5.9
167.08459	1.5
169.10130	2.1
170.77614	1.3
171.10266	2.2
171.11697	6.2
173.09622	3.7
173.13246	2.7
175.11191	5.5
177.09172	2.3
177.12726	2.5
181.12238	4.8
183.11649	1.7
185.09679	3.5
185.13278	4.0
189.09550	2.4
189.11215	12.9
189.16391	1.9
191.10580	6.7
193.12265	2.9
195.11777	1.8
195.13644	1.5
197.07208	6.4
199.11206	1.9
199.14774	9.6
201.12698	1.7
203.10837	1.2
203.14259	1.5
209.13344	1.8
212.77289	1.6
217.15819	6.6
223.13269	3.8
227.12616	14.3
227.14703	2.3
227.17917	1.8
235.12538	2.1
243.08324	1.7
245.15367	33.5
245.19136	3.5
246.15756	1.5
249.14792	1.6
253.13495	13.3
255.17415	3.4
256.41846	1.3
263.12131	1.9
263.16373	3.7
263.20221	1.5
273.18475	30.7
274.18515	2.0
281.12991	5.3
283.15356	3.0
291.19507	64.7
292.19757	2.2
299.14050	3.1
309.20520	7.6
319.19040	9.8
329.20868	1.4
337.20081	3.2
346.20502	1.4
347.22119	11.3
355.16638	31.7
365.23172	41.1
366.23459	2.5
373.12927	2.2
373.17697	46.2
374.18094	1.4
383.24213	16.3
471.24847	1.5
519.32971	2.1
525.26129	2.4
570.29498	1.5
591.36780	3.7
609.38025	11.6
627.39850	7.5
645.35205	22.0
663.36487	26.6
681.37738	11.9
698.46423	3.1
860.51154	3.7
877.47766	1.9
878.49475	50.4
879.48840	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	879.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.0
67.05495	3.8
69.03416	3.9
69.07050	1.0
71.01347	0.6
71.04972	0.5
73.02901	3.9
79.05470	3.6
79.28614	0.4
81.03400	2.2
81.07046	3.8
83.04971	0.7
83.08594	0.9
85.02885	7.0
85.78961	0.4
87.04450	0.8
91.03941	3.8
91.05468	2.7
93.07018	3.8
95.04981	1.1
95.08583	2.8
97.02873	5.9
97.03408	0.6
97.06515	0.6
97.10111	0.5
99.04440	0.8
101.02395	1.4
105.07023	1.4
107.08562	2.4
109.02923	0.5
109.10136	1.3
113.05966	0.5
115.03927	0.9
119.08590	1.3
121.10170	1.9
127.03918	2.0
131.08554	0.6
133.10103	1.3
135.11679	2.2
145.10152	0.7
147.11714	0.5
181.12292	0.6
183.32323	0.5
183.55818	0.5
185.04227	0.9
223.16650	0.5
243.08440	2.6
335.25674	0.7
347.09665	1.5
365.10544	0.7
367.16119	0.6
402.64600	0.5
405.13629	4.2
414.68661	0.5
439.19409	3.3
504.37735	0.5
519.29248	4.3
532.32001	0.5
535.28912	1.8
549.26440	0.5
585.24493	0.8
601.24689	1.9
681.34186	5.6
717.42065	1.1
731.51239	0.5
879.46698	100.0
880.46887	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	880.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	7.8
67.05495	18.4
69.07061	9.8
69.88608	3.4
71.01337	1.2
71.04972	1.3
71.08621	22.0
72.65779	1.3
73.02924	4.3
73.34152	1.3
79.05491	18.2
81.03407	7.0
81.07047	25.9
83.01334	3.7
83.04967	5.9
83.08605	18.9
85.02908	11.2
85.10167	14.7
91.03954	4.9
91.05461	8.1
93.07040	23.5
95.04971	5.5
95.08590	33.9
96.08111	1.3
97.02872	7.0
97.06538	2.3
97.10156	8.4
99.04422	2.7
102.58335	1.2
105.07026	6.8
107.04953	5.5
107.08566	16.6
109.06498	3.7
109.10133	12.1
117.07018	6.4
119.08546	7.3
121.06495	2.7
121.10133	10.1
123.08080	4.0
123.11703	3.7
124.07645	1.4
125.05976	2.1
125.09621	1.2
127.03944	2.4
133.10123	3.0
135.08067	2.7
135.11679	28.6
137.13214	1.6
139.07463	1.6
145.04961	2.0
145.10109	18.2
163.05972	2.2
163.11159	44.7
165.36238	1.2
173.09526	1.5
181.12173	8.8
191.10625	1.5
209.11685	4.0
224.16476	1.4
227.12753	33.3
228.13196	1.6
239.23676	2.2
252.15887	2.0
257.24774	2.3
283.15359	95.1
284.15921	1.7
313.27322	97.8
314.27655	3.3
359.80469	1.2
424.51044	1.6
447.02188	1.3
495.76962	1.3
521.38306	100.0
522.38409	5.7
569.91089	1.5
880.50018	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	11.4
67.05496	12.8
69.03387	2.2
69.07062	6.6
69.52348	0.9
69.52741	1.5
70.06561	0.9
71.01326	0.8
71.04943	2.8
71.08622	18.2
73.02908	3.5
79.05484	11.7
81.03409	7.1
81.07043	19.9
83.00945	0.6
83.01328	6.3
83.04963	8.2
83.08131	1.0
83.08603	15.8
85.02416	1.1
85.02889	17.6
85.06489	0.8
85.09698	1.0
85.10165	13.3
87.47704	0.6
89.05986	2.4
91.03471	0.7
91.03944	9.1
91.05457	8.0
93.07030	16.2
93.42017	0.5
95.04952	4.1
95.08591	17.7
96.08080	0.8
97.02872	8.2
97.06532	3.5
97.10136	5.4
99.04390	2.7
103.07527	1.3
105.04510	0.7
105.06997	5.7
107.04929	5.0
107.08575	7.3
109.02809	0.6
109.06489	4.8
109.10128	8.5
111.04366	2.1
111.08047	1.0
111.11681	1.0
117.07019	4.4
119.08568	5.1
121.06458	2.3
121.10115	5.9
123.04359	0.7
123.08031	6.3
123.11644	2.5
125.09580	0.7
127.03892	3.9
130.07716	0.8
130.79332	0.6
131.08508	1.9
133.10089	1.4
135.08041	1.4
135.11653	9.2
137.09587	1.0
137.13187	1.0
145.04907	4.1
145.06476	1.1
145.10101	12.2
147.08000	1.6
153.12689	1.7
155.08330	0.8
163.05986	3.4
163.11153	19.4
173.09529	3.3
181.12114	3.1
191.10663	1.9
209.11696	4.9
227.12767	3.4
239.23560	1.6
257.24728	2.1
283.15344	100.0
284.15616	1.7
313.27304	81.6
314.27603	2.0
521.38281	48.8
522.38458	2.4
880.44696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	16.4
69.20058	0.2
69.20466	0.9
73.02907	0.9
80.03760	0.1
81.83816	0.2
85.02892	2.9
93.01987	0.1
93.06988	0.1
97.02879	100.0
98.03212	0.6
105.03384	0.2
115.03917	8.1
121.02837	0.3
127.03880	0.6
134.67773	0.2
139.03879	27.3
147.04417	0.2
153.01784	0.2
157.04942	26.0
165.01775	0.3
175.06140	0.2
177.05467	0.2
186.70219	0.2
190.08618	0.2
199.05988	3.6
217.06921	1.0
259.08069	0.8
287.05447	8.2
288.05807	0.2
295.32718	0.2
299.05386	0.3
317.29062	0.2
340.15463	0.2
365.06558	0.6
383.07355	0.3
449.10797	0.9
485.09760	0.2
501.41287	0.2
503.11621	0.3
545.12250	0.6
665.16644	0.3
707.17676	0.3
881.36658	0.2
885.35626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	4.3
65.03921	0.5
67.05472	2.7
68.88500	0.4
69.03419	3.0
69.07066	2.4
69.72022	1.1
69.72401	1.2
70.06603	0.5
73.02904	2.2
79.05484	4.5
81.03424	2.5
81.07047	5.8
83.04972	0.6
83.08626	0.6
85.02882	4.3
86.06041	0.6
89.61822	0.5
91.03941	2.0
91.05456	4.4
93.07039	2.6
95.04967	2.1
95.08603	1.7
97.02876	3.0
97.06493	0.7
97.10153	1.0
98.22668	0.5
98.87074	0.5
99.04396	0.8
101.02372	1.4
103.03938	0.6
105.07027	2.3
107.04977	0.7
107.08598	2.2
109.02885	0.8
109.06516	1.5
113.30802	0.6
117.06995	1.6
119.08544	2.7
121.06493	0.8
123.08062	0.9
123.38492	0.5
125.09627	0.8
129.06955	0.9
130.75960	0.5
131.08583	0.7
133.10121	1.2
135.08052	1.8
135.11650	0.6
137.06001	0.7
137.09473	0.6
137.69041	0.5
145.10164	0.8
147.08047	1.7
149.09502	0.7
159.11649	0.5
161.09546	0.8
163.07419	0.6
184.75311	0.6
185.04269	0.6
199.14835	0.7
201.03804	0.6
223.60738	0.6
243.08318	4.4
297.31854	0.6
303.06927	0.8
303.15530	0.6
315.10587	0.7
331.19012	0.7
376.25427	0.6
521.23486	4.4
537.22833	2.5
549.27045	1.5
557.21210	1.9
565.26031	2.3
585.24396	1.6
783.31738	0.6
845.42291	1.7
880.50098	1.6
881.40106	100.0
882.40692	7.7
906.52997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
67.05486	3.7
69.03431	3.2
69.07062	3.3
73.02901	3.4
79.05491	2.5
81.03413	2.1
81.07050	4.2
82.71910	1.0
83.05004	1.0
85.02898	4.6
91.03975	3.8
91.05479	2.0
93.07034	2.4
95.04952	1.3
95.08619	1.7
97.02891	5.5
97.06471	1.2
97.10141	1.1
98.23412	2.3
99.08121	1.7
101.02389	1.8
105.06995	1.4
107.08593	2.0
109.02908	0.8
109.10122	1.6
117.06998	0.9
119.08586	1.4
125.09674	0.9
127.03923	1.3
129.05475	3.7
131.08556	1.1
135.08087	1.1
145.04929	0.9
172.63091	0.8
173.11755	1.1
182.31842	0.8
185.04237	2.8
229.14540	1.0
243.08380	4.8
259.07944	1.0
268.35397	0.9
301.09036	3.7
313.09116	3.1
314.02280	1.0
315.10428	6.2
327.10629	1.0
343.13947	0.9
349.19919	5.7
357.15143	14.1
371.17252	1.1
373.10980	1.8
389.23135	1.9
405.22626	1.3
416.16663	0.9
429.17465	1.5
461.24911	2.0
503.30197	3.5
541.26495	2.9
549.30353	3.0
555.27582	1.2
567.27771	13.5
583.28021	1.0
596.27863	1.4
613.28137	6.8
639.29779	23.2
640.30096	1.6
681.34692	1.5
682.35187	2.4
723.35114	3.9
795.37811	2.2
863.44440	1.8
881.44946	100.0
882.45007	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	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43670	0.8
65.03943	1.0
67.05492	14.6
69.03418	2.9
69.07063	5.9
69.72079	1.5
69.85098	1.0
71.04976	2.0
71.08627	14.2
73.02894	1.7
79.05479	10.7
80.35454	0.7
81.03406	24.8
81.07044	19.5
83.04972	6.5
83.08612	12.9
85.02398	1.1
85.02892	17.5
85.10172	8.8
87.04481	0.9
89.06024	1.0
91.03945	3.9
91.05470	11.9
93.07035	8.0
95.04952	10.4
95.08589	13.2
97.02873	5.3
97.06511	0.9
97.10180	4.4
105.07005	9.0
107.04935	2.6
107.08574	3.5
109.06488	1.5
109.10146	6.9
111.04465	1.0
111.08073	4.6
119.08556	8.3
121.10098	4.3
123.07993	1.8
123.11705	2.8
127.03917	1.2
129.06993	5.1
131.08554	5.3
133.06464	2.0
133.10100	5.6
137.09601	1.1
137.13214	1.3
142.07744	1.6
145.04915	2.7
145.10162	1.0
147.08052	1.8
147.11653	7.2
149.09576	3.4
157.10100	6.9
163.05969	2.5
165.12759	1.5
175.11169	6.2
193.12190	21.1
199.57915	0.8
211.13258	21.6
212.13814	0.9
239.23647	1.4
257.24695	1.3
267.15863	13.1
285.16910	34.3
302.36575	0.8
313.27307	68.5
314.27704	2.9
396.16425	0.9
436.77634	0.9
505.38708	17.1
506.39252	1.0
523.39868	100.0
524.40302	5.4
882.45490	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	882.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03895	1.3
67.05494	16.9
69.03423	3.4
69.07060	8.0
71.04986	3.5
71.08620	17.6
73.02903	2.9
73.06553	0.4
77.03867	0.4
79.05482	14.2
81.03405	43.1
81.07047	25.1
81.07495	0.5
83.04536	0.6
83.04968	8.7
83.08607	19.2
85.02894	27.2
85.06487	1.7
85.10168	10.5
89.05996	1.2
91.03945	7.5
91.05466	18.7
93.07031	9.4
95.04346	0.4
95.04952	14.8
95.08592	19.3
97.02348	0.6
97.02876	7.6
97.06509	2.4
97.10146	4.6
99.04428	0.8
99.08037	1.0
103.07539	0.6
105.04451	0.7
105.07014	13.8
107.04932	5.1
107.08588	4.5
109.02835	0.7
109.06513	2.8
109.10139	7.1
111.04382	1.7
111.07435	0.6
111.08064	7.3
111.11627	0.8
113.05946	1.6
115.05376	0.8
117.06921	0.8
117.09077	0.7
119.04904	0.5
119.08567	11.9
121.06471	0.6
121.10112	6.0
123.08002	1.3
123.11703	3.4
125.09630	0.7
127.03896	2.4
127.37702	0.5
129.05472	0.5
129.06985	6.7
131.07645	0.6
131.08540	7.5
133.06432	1.0
133.10107	6.9
135.11638	0.6
137.09575	1.1
137.13179	0.7
142.07678	1.6
142.74818	0.5
145.04926	2.4
145.10138	0.8
147.08015	2.5
147.11664	9.6
149.09569	4.1
157.10097	9.4
163.05980	2.8
163.10938	0.7
165.12758	2.2
167.06284	0.5
175.11162	10.8
193.12212	30.6
199.79831	0.4
211.13254	42.9
212.13696	0.8
225.17685	0.5
238.02901	0.4
239.23610	1.5
249.14833	0.7
257.24545	1.5
267.15863	18.3
285.16922	62.8
286.17191	1.7
300.27209	0.5
313.27310	63.7
314.27655	1.6
358.59625	0.5
393.71295	0.5
435.39374	0.5
505.38815	13.8
506.38654	0.6
523.39874	100.0
524.40112	4.6
882.90637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78310	0.4
67.05501	2.5
69.03424	2.1
69.07055	2.1
69.72468	1.3
71.04993	0.4
73.02906	1.9
76.70311	0.3
78.53138	0.3
79.05479	2.9
81.03407	1.5
81.07048	5.6
83.04998	0.8
83.08620	0.5
85.02889	3.7
91.03952	2.2
91.05460	2.6
93.07050	3.8
95.04959	0.9
95.08616	1.3
97.02889	2.8
97.06545	0.4
97.10156	0.8
99.04468	0.7
101.02401	1.4
105.07059	1.9
107.04964	1.1
107.08585	2.2
109.02880	0.6
109.06531	1.5
109.10181	0.7
111.04424	0.4
117.07042	1.5
119.08562	1.9
121.06517	0.9
121.10158	0.9
123.08096	1.0
125.09663	1.0
127.03948	1.0
129.07054	1.1
131.08600	1.1
133.10132	1.0
135.08064	0.8
135.11726	0.6
137.09604	0.4
141.51262	0.4
143.08603	0.8
145.10136	1.2
147.08086	1.3
147.11719	0.5
149.09697	0.6
153.12726	0.4
157.10153	0.7
159.11771	0.5
161.09691	0.5
171.11771	0.4
185.04305	0.8
199.14812	0.4
203.05359	0.7
243.08395	3.0
245.15338	0.5
301.09073	0.4
303.15848	1.5
349.19934	2.3
357.15381	0.4
359.18228	0.9
373.11105	0.4
383.16565	0.4
405.22699	0.5
441.06314	0.4
493.22287	0.4
521.23511	7.3
557.21161	2.5
567.27527	3.7
593.25922	0.5
607.26892	0.4
629.23175	0.4
710.43976	0.5
847.44440	1.1
883.42017	100.0
884.42328	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	883.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.2
69.03423	2.8
69.07083	3.3
69.07787	3.4
73.02912	2.3
79.05481	5.2
81.03413	1.8
81.07047	6.5
83.08611	1.0
85.02887	4.2
91.03938	1.5
91.05464	3.5
93.07033	3.4
95.04958	2.0
95.08614	2.0
97.02888	3.1
99.04414	0.8
101.02377	1.5
105.07046	1.9
107.04967	1.1
107.08603	2.1
109.02867	1.2
109.06544	1.9
109.10146	1.6
117.06995	1.0
117.38245	0.8
119.08594	3.0
121.10159	1.5
123.08086	1.6
125.09630	1.3
127.03957	1.2
129.07008	1.1
131.08595	1.7
133.10135	1.1
145.10121	0.8
147.08067	1.6
149.09647	1.1
161.09586	1.1
200.47189	0.9
203.05316	0.7
235.10649	0.7
243.08324	3.9
313.09085	1.3
321.16864	0.7
337.58447	0.8
357.14877	0.8
428.33963	0.8
539.24902	5.8
549.26660	2.2
585.24341	1.6
657.26385	1.3
814.35602	0.8
844.75012	0.8
847.44397	1.3
883.41992	100.0
884.42352	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	884.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99368	0.3
63.54376	0.4
69.03427	1.9
71.04968	0.4
71.44417	0.4
72.08134	0.5
75.04470	0.5
80.05013	0.4
81.03403	4.2
83.06895	0.3
84.08133	0.7
85.02910	1.6
87.04460	0.5
87.53664	0.4
91.05480	1.0
93.07050	0.4
93.92572	0.3
94.06567	0.5
95.04933	0.9
96.08105	0.4
97.02867	1.3
98.06008	0.4
99.04433	0.5
105.07027	0.8
107.01333	0.7
107.04928	0.7
108.08122	1.1
108.95247	0.3
109.02879	2.0
109.06514	0.4
110.09637	0.5
111.04448	0.5
115.05420	0.8
117.07018	1.1
118.06584	0.3
119.04885	0.6
121.08866	0.6
122.09647	1.2
127.03886	3.0
128.06201	0.7
129.07021	1.7
131.04936	0.5
131.08522	0.5
133.06398	0.5
134.09665	0.6
137.02330	100.0
137.03415	6.9
138.02623	0.6
138.09158	0.5
141.07024	0.6
145.02777	0.7
145.06416	0.6
146.05977	0.6
146.09656	0.5
147.04430	1.1
149.05951	0.8
150.09120	0.5
152.10703	1.6
155.08488	0.5
155.11443	0.5
158.09619	0.8
160.11188	0.6
161.05940	0.8
165.06984	0.9
166.07697	0.6
167.07158	0.5
167.08514	0.9
169.10077	0.4
172.11227	0.5
173.05966	0.4
173.09682	0.6
174.09148	1.6
174.12685	0.4
176.10751	0.6
177.05455	2.9
178.07814	0.8
178.12195	0.4
179.08540	1.3
181.06351	0.5
182.63193	0.4
184.11273	1.0
185.05946	0.4
188.07111	0.7
188.10728	0.4
190.07758	0.5
190.12245	0.4
191.08531	0.6
192.09476	0.4
193.10133	1.1
195.08017	0.7
197.09698	0.4
200.10681	0.9
202.07761	0.5
202.12288	0.6
203.08600	0.7
205.10175	0.9
207.08087	1.2
209.09543	0.8
217.10245	0.4
219.08078	0.6
220.08920	0.4
223.07741	0.4
223.11333	0.5
225.09033	0.8
233.09647	1.0
234.15012	0.5
235.07594	0.6
235.11095	0.5
236.12782	0.6
237.09105	1.3
239.10699	0.5
240.13976	0.4
249.09157	1.5
250.12204	0.5
251.10634	0.8
251.13031	0.5
252.13878	0.4
253.08730	0.6
262.12445	0.5
263.10611	0.6
267.10117	1.0
268.73279	0.4
277.08755	0.6
279.10269	0.4
281.11707	0.7
282.14792	0.5
294.14905	0.5
306.14706	0.6
308.12915	0.4
309.11081	0.7
310.14505	0.5
312.15747	0.5
316.13324	0.4
322.14496	0.5
324.15909	0.5
338.17834	0.5
356.18604	0.8
366.16794	0.8
370.20251	1.1
384.17966	0.9
388.21347	0.9
392.08182	0.4
398.19626	0.7
416.20743	1.3
426.19229	0.5
430.22156	0.9
434.21918	0.4
448.23602	1.0
520.19867	0.5
524.22522	0.8
542.23993	1.3
552.22235	2.0
584.24524	2.7
602.25562	3.1
644.26813	2.2
662.28314	1.5
722.30280	1.6
746.30591	0.5
764.31616	0.7
792.31042	0.4
806.32434	1.2
824.33038	4.2
826.97491	0.4
884.35309	80.2
885.35651	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	884.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	10.6
69.03420	2.7
69.07056	3.7
71.01338	0.6
71.04990	1.8
71.94339	0.6
71.98277	0.5
73.02906	1.2
79.05486	10.9
81.03406	28.1
81.07039	9.7
83.01337	1.9
83.04962	5.0
83.08608	9.2
85.02883	4.3
85.06535	1.0
87.04504	0.6
89.06023	1.6
91.03925	2.0
91.05474	9.9
93.07037	11.0
95.04957	10.0
95.08604	4.9
97.02886	7.3
97.06518	1.8
97.10149	4.5
98.03222	1.3
99.04454	1.1
102.61999	0.6
103.05459	0.7
105.07010	7.7
107.04938	6.5
107.08571	6.4
109.02857	1.0
109.06503	3.5
109.10128	3.2
111.04404	2.2
111.08058	1.7
115.05453	1.4
117.06998	3.8
119.04923	1.1
119.08562	7.3
121.06485	4.7
121.10107	3.8
123.04446	1.6
123.08050	3.5
125.09608	3.9
127.03888	1.5
129.06999	4.2
130.07716	0.6
131.04889	1.3
131.08540	5.5
133.06483	2.5
133.10104	2.2
135.08041	2.3
135.11668	4.1
137.06052	0.7
137.09589	0.9
139.03885	1.2
142.07784	0.8
143.08577	1.3
145.06464	1.9
145.10101	5.7
147.04405	0.8
147.08017	3.0
147.11694	2.5
149.09619	2.0
153.12698	1.4
155.08600	0.7
157.06506	0.8
157.10094	3.1
159.08018	1.4
161.05972	2.2
161.09613	1.5
163.06052	1.1
163.11148	9.6
165.08992	0.6
171.07927	0.7
171.11716	0.6
173.09581	1.9
175.11185	2.5
181.12228	1.4
181.51599	0.6
185.09676	0.7
185.13344	0.8
189.09218	0.6
189.11147	1.4
191.10669	1.7
193.12216	6.6
197.09622	0.8
205.12184	1.8
209.11681	1.9
211.11180	1.2
227.12791	2.1
229.12035	0.6
231.13820	1.0
249.14757	1.1
259.13394	0.8
267.15866	16.7
271.13086	1.2
273.14755	1.6
283.15366	12.9
287.05313	0.7
288.05853	0.8
289.14362	2.3
289.21558	0.8
303.15875	0.8
309.16833	0.7
315.18063	1.3
337.21695	0.9
347.19751	0.8
352.11920	1.5
355.22464	2.5
365.21057	2.6
383.22116	11.6
401.23190	5.6
403.22726	0.8
419.24020	0.9
431.24393	1.1
439.24832	1.3
439.30460	1.1
457.25818	20.0
457.31708	2.7
458.25943	0.9
475.26831	100.0
476.27026	5.0
493.27911	10.1
499.26666	0.9
517.27924	2.6
557.04803	0.7
571.28632	0.7
583.28613	0.7
601.29590	1.7
619.30579	1.1
916.54810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.499
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03880	1.3
67.05493	15.2
67.05828	0.5
69.03410	2.7
69.07057	17.0
71.01331	0.4
71.04941	1.3
73.02863	0.8
73.33204	0.4
73.91314	0.4
79.05479	20.9
81.03402	7.1
81.07043	28.2
81.07485	0.9
83.04972	6.4
83.08603	8.6
85.02895	2.3
85.06525	0.8
91.05463	16.4
93.07029	15.3
95.04954	9.3
95.08592	6.6
97.02872	2.3
97.06519	5.9
97.10151	10.0
97.10731	0.4
99.00815	2.6
99.04390	1.1
99.08038	0.8
103.05392	0.9
105.04472	0.5
105.07018	10.3
107.04936	6.8
107.08574	13.6
109.02851	5.2
109.06500	5.8
109.10139	4.5
111.04425	4.3
111.08054	2.6
113.05923	0.6
115.05367	1.6
116.06144	0.4
117.07004	7.1
119.04899	0.9
119.08554	12.7
121.02820	1.0
121.06487	5.4
121.10125	3.7
123.04384	3.0
123.08048	3.2
123.11623	1.1
125.02280	0.6
125.09607	9.3
127.03839	0.7
128.06151	0.8
129.06973	3.7
131.04851	0.6
131.08536	5.1
133.06441	2.3
133.10109	11.7
135.04317	1.4
135.07071	0.7
135.08029	13.6
135.11665	3.5
137.05922	1.2
137.09575	3.9
139.07526	2.1
139.11076	0.5
141.06961	0.7
142.07709	0.6
142.69783	0.4
143.08511	3.7
145.06451	4.0
145.10072	4.9
147.08011	3.5
147.11674	1.8
149.09592	2.8
151.07516	0.5
151.11125	2.7
153.09113	2.9
153.12741	2.1
155.08447	1.6
157.10089	2.7
159.08034	5.1
159.11594	1.5
161.09598	6.5
163.07520	7.5
163.11168	3.3
165.09062	0.9
169.10011	1.2
171.07977	1.5
171.10133	1.0
171.11552	0.6
173.09610	2.7
173.13269	0.6
173.28055	0.4
175.11110	2.2
177.09079	0.8
177.12686	0.5
179.10655	2.2
181.08577	0.4
181.12134	1.8
183.11638	0.6
185.09573	0.6
187.11148	1.4
189.09052	1.6
189.11127	4.5
189.12697	0.6
191.10689	2.1
193.12209	22.2
197.11592	0.5
201.12686	0.5
203.10661	0.8
203.14186	0.4
207.10030	0.6
209.11618	0.6
211.11288	0.5
211.13228	1.1
215.17769	0.4
219.13660	0.7
221.11647	0.9
225.11075	0.9
225.16359	0.4
227.12717	5.1
228.52405	0.4
229.12077	0.5
239.12651	0.6
243.17429	2.5
253.15791	0.7
261.18484	4.7
263.16199	0.6
267.15970	1.1
271.16907	6.8
273.18304	0.7
279.19577	0.4
283.15298	1.3
289.17920	29.5
290.18118	0.8
291.19449	0.5
307.18985	7.5
345.20630	0.9
363.21585	11.8
379.21271	0.5
381.22647	100.0
382.23050	3.4
477.28531	1.4
481.28888	0.6
497.29257	0.7
533.31158	1.2
551.32111	0.7
555.33136	0.7
571.32355	0.5
573.34125	1.6
577.35858	0.6
589.33441	0.9
595.36298	2.1
651.38721	1.8
669.39777	13.6
670.39838	0.9
687.40869	56.6
688.41394	3.3
735.42322	0.4
884.42389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.4
67.05492	57.7
68.99766	1.5
69.03420	6.7
69.07054	25.4
71.01322	2.8
71.04982	7.1
73.02912	2.2
74.00950	1.2
79.05478	64.4
81.03394	12.1
81.07039	100.0
81.28870	1.3
82.07362	1.9
83.04959	14.7
83.08607	17.6
85.02885	3.0
85.06500	2.1
91.05464	53.2
93.07024	41.4
95.04952	29.8
95.08585	23.7
97.02876	12.6
97.06506	11.0
97.10148	16.5
98.23491	2.9
99.04453	3.6
103.05487	1.5
105.04482	3.4
105.07010	32.6
105.07725	2.0
107.04929	28.0
107.08575	31.8
107.09253	2.5
109.02859	13.3
109.06493	45.7
109.10130	23.6
111.04433	6.8
111.08060	7.3
115.05437	5.4
116.04679	4.0
117.06997	26.8
119.04922	3.3
119.06136	1.2
119.08558	31.7
119.09400	1.9
121.02855	3.5
121.06492	12.6
121.10115	10.4
122.07300	1.6
123.04420	8.8
123.08056	11.7
123.11702	2.4
125.09604	15.6
128.06206	3.0
129.05470	11.2
129.06960	10.6
130.15614	1.2
131.04958	2.2
131.08536	17.4
133.06445	7.2
133.10106	23.1
135.04405	3.7
135.08035	33.0
135.11623	10.1
137.05971	3.7
137.09572	18.1
139.07492	2.7
141.06956	3.2
143.06993	3.0
143.08540	10.1
145.06450	10.2
145.10078	15.3
146.07111	1.8
147.08037	12.1
147.11662	7.6
149.05983	2.0
149.09581	11.3
149.13280	1.6
151.07492	3.0
151.11154	4.8
153.09061	9.6
153.12746	2.0
155.08521	5.8
155.10628	1.7
157.08655	6.7
157.09918	6.4
158.05788	1.3
158.07173	1.8
159.08034	13.5
159.11642	7.7
161.09593	19.7
163.07520	13.9
163.11131	9.9
165.09074	7.4
165.12656	1.2
169.10088	4.6
171.08022	3.3
171.10191	3.0
171.11571	3.0
173.09569	6.6
173.11708	5.5
173.13161	2.8
173.18469	1.2
175.07582	1.3
175.11154	4.9
177.09084	2.9
177.12657	2.6
179.10625	15.9
183.11702	2.9
185.09587	2.0
185.13297	2.3
187.11215	4.0
187.21025	1.3
189.09190	7.6
189.11156	9.4
189.12700	2.1
191.10612	2.5
191.14236	1.4
193.12178	13.6
197.13283	1.7
199.13106	1.7
199.14809	1.6
207.10103	5.6
209.11697	1.8
211.13164	1.5
217.15723	1.2
221.11690	4.7
223.13286	5.3
225.11215	4.1
225.16318	2.3
227.12715	9.6
229.14034	6.2
239.12784	3.1
243.17459	14.2
245.19060	1.9
253.15848	2.6
261.18448	13.1
267.15848	1.5
271.16916	17.9
273.18417	16.2
275.19934	7.0
286.25778	1.5
287.16190	1.6
289.17914	67.7
290.18561	2.3
291.19568	12.4
293.21027	5.4
295.15338	3.5
305.17200	1.8
307.18964	6.7
311.67477	1.4
313.16449	2.0
345.20831	1.6
347.22104	8.1
349.23636	6.6
363.21600	76.9
364.22076	4.0
365.23111	17.2
367.24805	7.4
381.22620	21.1
399.18726	2.3
399.23734	26.3
459.27209	1.7
487.30228	2.0
505.31448	1.5
517.31519	23.2
533.30933	1.7
543.32874	1.8
557.34692	7.5
583.32343	1.9
601.33197	2.9
635.39264	9.8
637.40814	3.1
651.38379	3.8
652.39325	1.8
653.40363	35.9
654.40271	3.0
655.42126	6.0
669.39484	8.6
673.42450	5.0
687.40942	53.1
688.41248	3.3
779.54700	1.6
884.40399	5.2
885.43182	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.4
67.05499	44.5
69.03413	5.8
69.07061	31.5
71.01318	2.4
71.04987	14.8
71.08637	2.9
71.43324	2.0
73.02892	2.0
73.06539	4.1
77.66573	1.6
79.05485	51.7
81.03398	12.3
81.07050	100.0
83.04960	11.4
83.08614	18.0
85.02895	4.8
85.06530	2.9
91.05466	43.0
93.07036	42.0
95.04959	18.5
95.08595	23.7
97.02875	3.8
97.06509	11.8
97.09621	2.2
97.10162	12.6
99.00801	2.0
99.08080	3.4
103.05469	2.3
105.07021	36.5
107.04948	15.4
107.08576	29.7
109.02875	6.4
109.06510	29.7
109.10146	13.7
111.04426	8.8
111.08068	7.1
113.05974	2.3
113.09623	2.5
113.37745	1.6
117.07014	15.9
119.08566	31.3
121.06477	12.0
121.10149	13.1
123.04406	3.2
123.08066	9.5
123.11692	3.7
125.09621	11.6
129.06982	3.9
131.08548	19.4
133.06499	4.2
133.10103	25.6
135.08023	18.0
135.11673	9.9
137.06032	2.0
137.09589	7.7
139.84328	1.8
143.08521	5.4
145.06453	4.5
145.10104	17.6
147.08052	5.1
147.11671	12.0
149.09595	11.8
149.13219	4.3
151.11165	8.4
153.09099	5.3
153.12827	1.7
157.10126	3.6
159.08044	6.5
159.11702	6.6
161.09619	5.2
161.13249	3.3
163.07571	7.0
163.11179	10.8
165.09120	2.3
165.12735	4.5
169.10146	2.7
171.08032	2.1
171.11684	3.6
173.09570	3.6
173.13206	3.3
175.11172	3.2
179.10638	3.1
183.11674	3.0
187.11153	2.3
189.11208	3.8
191.10614	3.2
193.12181	9.2
200.20204	2.1
201.12845	2.8
219.13640	2.2
227.12747	4.6
229.19328	2.0
243.17490	2.2
247.20554	2.8
257.19031	5.9
261.18500	2.1
267.15915	3.6
271.16891	6.1
275.17056	3.5
275.20026	58.0
283.15393	3.1
289.17966	17.1
291.19357	3.7
293.21042	9.3
307.19037	4.0
307.22485	2.9
349.23672	34.4
363.21674	10.1
367.24802	13.1
381.22488	69.0
381.26535	11.5
395.24240	30.6
525.37335	5.0
551.83032	2.3
637.41180	8.4
655.41901	59.3
656.42188	3.2
669.43506	20.2
673.43201	11.7
687.44635	44.5
884.45410	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	885.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	0.5
69.03058	0.6
69.03419	7.8
70.06573	0.5
70.45519	0.5
71.01340	0.6
71.04993	3.2
73.02901	0.7
79.05473	0.9
81.03402	20.3
81.07037	0.5
83.01331	0.5
83.04948	0.6
85.02891	13.7
91.05457	0.8
95.04932	1.3
95.08585	0.5
97.02881	10.6
99.00758	0.4
99.04438	17.1
103.03927	6.6
105.03372	7.7
105.04471	0.4
105.07011	0.7
107.08563	0.4
109.02859	31.1
109.10137	0.4
109.49927	0.3
110.03189	0.7
111.00813	0.4
111.04432	0.4
115.03885	0.7
119.08586	0.5
121.02854	1.9
121.10130	0.4
122.22659	0.4
127.03892	100.0
128.04208	1.1
137.02341	0.7
139.03877	1.3
145.04926	7.4
153.01796	0.9
157.04913	0.3
163.11125	0.6
169.04933	8.8
177.05458	0.4
181.87431	0.4
187.05983	19.1
191.07011	1.5
213.05724	0.4
213.07504	1.9
229.07027	27.0
230.07498	0.5
247.08104	10.7
275.40723	0.3
287.05447	31.8
288.05869	1.0
311.05450	0.4
329.06549	1.0
337.21179	0.4
425.89758	0.4
475.26859	0.5
476.27151	0.4
520.65704	0.4
885.37732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.6
68.02871	0.6
69.03423	4.7
69.07056	1.3
69.51041	1.2
69.51424	1.6
71.01330	0.5
71.08627	2.0
73.02898	4.6
76.26878	0.5
79.05500	1.2
81.03390	2.5
81.07040	1.6
81.54319	0.5
83.01357	0.7
83.04987	0.9
83.08605	1.3
85.02893	7.8
85.10163	0.9
86.65559	0.5
90.02792	0.5
91.03946	4.6
93.07030	1.1
95.08620	2.3
97.02878	8.5
99.04468	1.3
101.02356	2.6
105.07054	0.7
109.02880	1.0
109.10175	0.9
115.03896	0.5
119.08537	0.6
123.40073	0.5
127.03922	2.3
136.35507	0.5
137.09608	0.5
145.10146	1.1
163.11209	2.0
182.56607	0.5
185.04312	1.4
203.05249	1.2
209.11906	0.8
222.60069	0.5
243.08446	2.3
249.11026	0.9
250.94211	0.6
283.15421	0.8
305.13687	0.5
313.27469	0.6
347.09348	3.2
365.10791	0.9
405.13660	6.5
467.18787	9.3
468.19614	0.5
497.30792	5.2
629.23944	7.4
629.33447	0.7
659.35919	4.3
723.42865	2.1
762.45416	0.6
885.47992	100.0
886.48358	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	886.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
67.05492	16.6
68.05800	0.6
69.03416	5.5
69.07060	5.2
71.04994	2.9
73.02900	0.8
79.05480	16.2
81.03403	73.5
81.07041	18.3
82.03673	0.5
83.04964	8.6
83.08604	21.8
85.02888	14.6
85.06520	1.6
87.04453	0.6
89.05987	1.2
91.03923	2.0
91.05466	21.0
93.07030	13.6
95.04951	28.2
95.08591	8.2
97.02877	10.3
97.06519	2.7
97.10143	5.0
99.04415	0.9
99.08077	1.2
103.05466	1.0
105.04502	0.8
105.07010	17.4
107.04933	6.8
107.08582	7.8
109.02870	0.6
109.06500	4.5
109.10138	4.4
111.04420	2.3
111.08061	7.6
113.05943	1.6
115.05414	1.6
117.07008	3.1
119.04926	1.5
119.07731	0.9
119.08556	13.5
121.06479	4.8
121.10120	7.9
123.04406	1.4
123.08069	3.2
123.11696	0.9
125.05951	0.7
125.08826	0.5
125.09581	3.7
127.03863	1.8
128.06210	0.8
129.06973	9.8
131.04924	1.3
131.08543	11.3
131.49016	0.5
132.86179	0.5
133.06464	5.4
133.10109	8.6
135.08022	2.1
135.11626	1.4
137.05925	0.8
137.09578	2.1
139.03862	1.9
141.06998	0.9
142.07736	2.3
143.08527	1.3
145.04935	0.9
145.06461	4.8
145.10114	3.2
147.04364	1.1
147.08017	3.9
147.11659	8.7
149.09575	5.4
153.09143	1.2
155.08502	1.2
155.31264	0.5
157.04883	1.0
157.06427	0.7
157.10092	12.5
158.10457	0.6
159.08038	0.7
159.11682	1.0
161.05891	1.0
161.09616	0.8
163.06004	0.8
163.11136	2.4
164.67230	0.6
165.12738	2.4
169.06464	0.5
169.10095	0.9
171.08060	1.3
171.11581	1.1
173.09627	1.3
173.11757	0.6
175.11156	11.4
177.05470	1.0
177.12741	0.6
181.10092	1.2
183.08037	0.7
183.11687	0.8
185.13245	1.0
187.11174	1.1
189.11174	1.7
189.12685	0.7
191.14233	0.6
193.12204	28.9
194.12335	0.5
195.11658	1.3
197.13162	0.7
205.12309	0.6
209.11597	0.9
211.11320	0.8
211.13226	12.8
212.13499	0.7
213.12576	0.7
215.14297	0.8
227.12692	1.6
229.14268	2.4
231.13763	1.2
233.15379	1.7
235.13165	0.7
237.12677	0.8
249.14871	1.8
255.13661	2.4
267.15860	100.0
268.16229	1.8
273.14761	3.8
283.15161	3.1
285.16904	11.2
294.73996	0.6
309.16589	1.3
323.19778	0.8
333.07925	1.1
339.23047	1.0
341.17151	0.6
341.21017	1.9
349.21399	2.7
357.24374	1.1
367.22629	6.6
373.60562	0.5
385.23648	9.4
386.24200	0.6
403.24741	2.8
405.23987	0.9
411.60690	0.6
413.28986	1.0
415.24380	1.0
427.06412	0.7
433.25812	16.0
437.25302	0.9
441.26300	8.7
459.27322	78.7
460.27679	3.6
477.28415	46.6
478.28656	2.3
491.29507	1.0
501.28305	1.8
509.26639	0.7
519.29517	3.6
536.88660	0.7
540.24408	0.6
543.29321	0.7
567.29742	1.0
577.23730	0.8
585.30310	1.5
603.31732	1.1
663.29755	4.8
717.16504	0.7
886.34967	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58214	1.4
65.03922	3.5
67.05155	2.4
67.05495	43.9
68.74643	1.2
69.03430	6.5
69.06707	1.5
69.07061	17.5
69.10194	8.1
71.04975	6.9
73.02866	1.6
78.35459	1.5
79.05479	58.5
81.03408	9.2
81.07043	100.0
82.07359	1.9
83.04984	10.6
83.08611	14.5
85.02883	2.1
85.06510	2.2
86.35378	1.3
87.14507	1.2
91.05462	48.6
93.07027	38.7
94.07359	1.5
95.01276	1.5
95.04958	22.5
95.08590	22.4
97.02866	4.5
97.06505	5.8
97.10152	9.8
99.08109	2.4
105.04508	3.7
105.07013	40.0
107.04942	21.7
107.06507	1.3
107.07915	2.1
107.08581	26.7
109.02855	8.6
109.06501	33.1
109.10142	18.1
111.04450	4.1
111.08063	5.3
113.05972	1.5
115.05447	5.5
117.01030	1.6
117.06998	23.6
119.04900	2.3
119.08563	30.5
121.02831	1.9
121.06495	11.2
121.10130	11.0
123.04435	5.2
123.08046	11.5
123.11680	2.7
125.09615	8.1
128.06206	4.4
129.06972	10.8
131.02754	1.3
131.08548	20.3
133.00508	1.4
133.06465	5.6
133.10095	25.9
135.04361	2.2
135.08031	24.2
135.11659	6.5
137.09647	8.4
141.06953	2.5
142.07733	2.1
143.08578	11.1
145.00346	1.4
145.06436	6.7
145.10092	16.1
147.08014	11.5
147.11656	5.9
149.09602	12.4
150.35762	1.2
151.11157	8.4
153.09097	4.4
153.12613	1.3
155.08511	4.4
157.10097	7.5
159.08037	8.3
159.11659	9.9
161.09578	16.7
161.13213	2.6
163.07520	6.1
163.11157	13.4
165.09019	1.5
165.12796	2.1
169.10068	3.6
171.10240	1.7
171.11699	3.9
173.09605	5.8
173.13158	3.1
175.11150	3.1
177.09097	2.2
177.12677	1.9
179.10666	9.8
185.09605	1.8
185.13203	2.0
187.11191	2.5
187.14735	1.9
189.09116	2.8
189.11209	4.0
191.10609	1.9
193.12248	2.2
197.07277	1.8
199.11160	1.3
199.27930	1.4
201.62581	1.4
205.12292	1.7
225.11101	1.8
227.12689	2.6
227.17865	2.9
229.93242	1.3
243.17461	6.4
245.18867	2.4
253.14296	13.4
255.17451	2.5
257.18866	2.1
261.18454	5.8
267.15823	2.5
271.17123	6.9
273.18451	19.3
275.20029	12.9
289.17923	34.5
291.16147	2.6
291.19461	26.9
293.20877	1.7
307.18863	2.8
309.15994	3.7
347.22119	8.1
349.23843	7.9
363.21582	55.1
365.23242	6.3
367.24551	1.4
381.22675	2.8
383.19742	15.7
397.21805	3.4
399.19125	3.3
401.15970	2.4
401.20807	24.7
545.34546	5.1
550.90710	1.5
563.35138	1.7
635.39325	14.9
653.40265	6.2
657.43237	1.7
671.36780	36.0
689.37885	63.3
775.58423	1.7
886.47253	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	886.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	3.0
65.05813	0.7
67.05494	43.7
69.03179	0.6
69.03425	5.8
69.07059	27.5
69.07440	1.4
71.04607	0.8
71.04958	3.8
76.77209	0.8
77.03902	1.9
79.05480	52.6
81.03400	12.8
81.07044	84.9
82.07362	0.9
83.01363	0.8
83.04968	15.8
83.08606	19.4
85.02893	5.5
85.06542	2.5
91.05468	36.5
93.03365	1.1
93.07030	36.2
95.04954	23.9
95.08592	19.4
97.02872	3.6
97.06524	11.0
97.10153	28.7
99.00809	3.3
99.04440	2.5
99.08095	3.5
103.05450	1.4
104.06242	0.7
105.04504	2.9
105.07008	29.1
107.04934	17.9
107.08580	29.3
109.02864	5.4
109.06503	16.9
109.10146	12.0
111.04430	12.6
111.08071	8.0
115.05441	2.5
116.06209	0.9
117.06996	17.2
119.04898	1.9
119.08561	27.9
121.06470	12.4
121.10117	12.3
123.04449	3.1
123.08054	19.1
123.08886	1.4
123.11694	1.8
125.05959	1.3
125.09611	22.9
125.10493	1.5
128.06192	3.4
129.06964	9.0
130.07712	1.1
131.08546	16.3
133.06491	5.3
133.10110	20.6
135.04373	1.2
135.08028	17.1
135.11684	10.5
137.05991	1.5
137.09596	7.5
139.07556	1.2
139.11166	2.0
141.06975	1.3
142.07715	1.4
143.08540	8.7
145.06483	6.2
145.10101	16.7
147.08023	12.8
147.11667	6.7
149.05966	1.5
149.09592	9.1
149.13248	1.2
151.07539	0.8
151.11143	5.2
153.09113	5.6
153.12718	7.6
155.08533	3.5
157.06448	1.2
157.10104	7.8
158.85211	0.7
159.08015	7.9
159.11642	6.4
161.09581	15.5
161.13307	1.1
163.07541	6.9
163.08794	0.9
163.11163	20.1
165.09082	4.3
165.12738	2.0
169.10127	3.1
171.08032	1.3
171.10150	2.6
171.11685	4.1
173.09602	6.2
173.11861	0.9
173.13342	2.2
175.11194	7.0
177.09184	1.6
177.12762	2.8
179.10663	3.8
181.10162	0.7
181.10732	1.1
181.12169	7.3
183.11658	1.6
185.09616	2.4
185.13181	2.3
187.11197	2.8
189.09128	2.5
189.11165	16.1
189.12654	1.5
191.10640	5.7
191.14291	1.1
193.12206	19.3
195.11765	2.0
199.11156	1.5
199.14877	1.1
201.12723	1.8
205.12250	1.8
209.11591	1.1
211.13142	0.9
213.12794	1.2
219.13785	1.7
221.11678	1.0
223.13277	3.6
225.11131	1.1
227.12729	19.3
227.17827	1.6
231.13660	1.0
233.15332	0.9
237.16216	1.3
243.17418	2.3
245.18976	2.7
249.14815	2.0
253.15947	0.9
255.17661	4.9
261.18402	2.8
263.19846	1.0
267.15909	1.0
271.16937	6.0
273.18439	38.6
274.18805	1.4
283.15329	5.3
289.17938	24.1
291.19498	66.2
292.19882	1.6
307.18994	6.8
308.19241	0.8
309.20514	8.1
329.20941	1.6
347.22098	13.7
363.21579	8.8
365.23193	38.2
366.23514	1.7
381.22665	100.0
382.23077	3.0
383.24194	13.9
391.99918	0.8
409.27383	1.2
529.31317	0.8
533.30835	2.5
551.31702	2.7
555.33032	2.2
557.34613	1.1
573.34161	6.0
575.35889	1.0
579.35602	1.5
589.33264	2.2
591.34705	1.1
597.37646	1.9
607.34637	2.4
635.39459	4.4
647.52771	1.0
653.40338	23.7
654.40369	1.5
671.41382	58.1
672.41528	4.1
689.42462	31.7
690.43066	1.7
783.47455	1.0
797.62714	0.9
886.43683	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	6.1
67.05497	67.9
69.03428	8.3
69.07059	31.8
71.04999	13.3
79.05482	69.0
81.03399	15.2
81.07048	100.0
83.04980	16.2
83.08163	4.4
83.08607	33.2
85.02889	5.7
85.06548	3.9
91.05472	54.4
93.07040	57.0
95.04958	40.5
95.08591	33.7
97.02880	5.4
97.06535	15.5
97.10143	20.9
99.04450	2.4
99.08078	3.7
103.05532	2.7
105.03379	2.3
105.04517	4.0
105.07018	51.2
107.04937	26.9
107.08582	40.7
109.06484	18.5
109.10138	22.6
111.04411	12.2
111.08064	9.9
113.05996	2.9
115.05437	4.8
116.07546	2.2
117.07012	26.9
119.08562	42.0
121.06472	14.3
121.10123	21.1
123.08065	18.0
123.11697	5.1
125.09618	20.1
128.06195	3.8
129.07008	12.2
131.08557	24.5
133.06488	3.1
133.10097	26.2
135.08034	10.8
135.11673	15.0
137.09608	9.4
143.08571	8.6
145.06454	5.2
145.10117	25.2
147.07996	10.9
147.11632	16.3
149.09604	21.5
149.13243	5.3
151.11182	3.3
153.12700	3.3
155.08679	2.8
157.10143	9.3
159.07948	3.7
159.11681	13.8
161.09544	11.6
161.13210	4.6
161.90001	2.7
163.11160	24.8
165.09094	4.3
165.12732	7.0
167.08504	2.7
169.10110	4.6
171.11707	8.3
173.09531	4.0
173.11853	2.8
173.13252	6.7
175.11172	7.2
177.12730	5.4
179.10704	2.4
179.14259	3.2
181.12285	3.7
183.11559	3.6
185.13255	3.8
187.11160	3.7
189.09686	2.8
189.11143	13.5
189.12680	3.0
191.10660	5.2
193.12241	8.2
199.11275	2.9
205.12256	3.0
207.13585	2.8
223.13330	9.5
227.12515	12.7
229.14328	4.6
229.19443	3.7
247.20395	2.2
249.14729	2.5
253.14308	4.2
255.17458	2.9
257.18906	8.1
263.20111	2.8
267.16028	3.9
273.18457	29.3
275.20013	53.9
275.22894	3.9
289.17892	3.9
291.19495	58.1
293.21039	6.9
309.20859	4.6
331.22668	3.6
344.77719	2.4
347.22089	15.0
349.23700	53.3
349.27762	4.0
350.24173	4.1
365.23181	33.5
367.24698	13.6
381.26590	12.2
383.24188	6.6
397.25726	8.5
519.33014	7.5
520.99597	2.3
541.35205	5.6
548.47186	2.3
559.36133	24.0
621.41504	11.7
639.42499	42.8
640.42688	3.0
657.43744	21.8
671.45319	22.2
689.46100	16.8
703.40460	3.5
806.50092	3.1
886.40479	19.7
887.41095	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	886.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38258	2.8
65.03919	3.3
67.05151	4.1
67.05497	60.5
69.03407	5.8
69.07059	24.8
69.99925	5.6
71.04994	16.8
73.84699	2.2
76.97860	2.5
78.04677	2.5
79.05483	51.5
81.03395	12.9
81.07044	100.0
83.04967	14.4
83.08604	21.9
85.02893	4.5
85.06527	4.7
90.56276	2.6
91.05468	55.2
93.07030	42.3
95.04954	21.2
95.08598	31.3
97.02866	2.8
97.06517	13.5
97.10159	13.8
99.04461	3.1
99.08101	6.3
103.10213	2.6
105.07016	43.0
107.04941	15.2
107.08572	32.8
108.69138	2.7
109.02881	3.0
109.06496	21.9
109.10138	17.1
111.04418	10.4
111.08064	9.2
117.07001	16.5
119.08572	32.3
121.06485	10.1
121.10117	23.5
123.08041	18.2
123.11687	4.8
125.05956	3.4
125.09620	15.6
129.06982	5.6
131.08551	20.8
133.06493	4.9
133.10103	29.5
135.08017	11.7
135.11671	11.1
137.09578	5.8
143.08554	8.8
145.06439	4.6
145.10114	22.4
147.08017	10.5
147.11653	10.6
149.09590	15.1
149.13235	7.1
151.11171	6.5
153.12740	5.0
155.08566	4.2
157.10115	9.2
159.08064	3.5
159.11676	10.6
161.09587	7.9
161.13272	3.5
163.11172	17.5
165.09082	3.8
165.12759	6.5
169.10092	4.3
171.11678	7.6
173.09589	5.7
173.13211	2.9
175.11174	5.6
177.12598	3.5
179.10638	3.7
181.12270	3.6
183.11613	3.5
185.13232	5.8
187.11099	2.8
189.11189	8.6
189.12814	3.0
191.10612	4.1
193.12238	8.2
223.13203	3.6
227.12697	15.8
229.19411	2.9
253.14375	6.8
257.19049	3.5
267.15656	3.3
273.18457	27.9
275.20010	39.4
289.17639	2.9
291.19479	38.8
307.22528	5.6
309.20523	4.1
347.22122	13.2
349.23715	36.5
352.96661	2.5
365.23129	36.9
367.24783	4.9
381.26355	17.7
383.24161	19.1
527.36646	2.9
559.35950	7.5
621.41687	14.3
639.42383	36.2
653.43591	3.2
657.43689	17.3
671.45087	13.9
689.46008	20.7
697.58258	2.9
886.41479	9.9
887.45020	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	887.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78845	0.3
67.05495	2.7
69.03417	3.2
69.07067	1.0
69.52063	1.5
71.04994	0.8
71.08630	1.4
73.02911	3.8
73.43053	0.3
79.05466	1.7
81.03411	3.0
81.07046	3.1
83.04994	0.5
83.08617	1.2
85.02897	6.5
85.10196	0.4
85.48457	0.4
91.03940	4.7
91.05468	1.8
93.07035	2.3
93.25510	0.3
95.04958	1.9
95.08575	2.2
97.02880	5.9
97.10163	0.6
98.22736	0.6
99.04459	1.1
101.02366	2.0
105.07049	1.1
107.08574	0.7
109.02866	0.7
109.10169	0.7
111.08044	0.4
113.89752	0.3
115.03954	0.7
117.07036	0.4
119.08603	1.2
121.10136	0.7
124.76727	0.3
125.09654	0.4
127.03916	1.9
128.30994	0.3
128.33690	0.3
129.07021	0.9
129.42209	0.3
131.08583	0.6
133.10147	1.5
144.32590	0.4
145.04935	0.4
147.11681	0.9
175.11322	0.7
185.04237	1.3
193.12238	0.8
203.05235	0.6
243.08340	2.1
251.12517	0.6
285.17053	0.4
292.19873	0.5
307.15271	0.6
313.27423	1.1
335.25885	0.7
347.09543	2.4
363.09042	0.6
365.10715	1.2
405.13589	5.4
469.20352	8.9
481.07022	0.4
497.23706	0.7
497.30692	5.5
529.38568	0.9
547.59058	0.4
563.54010	0.4
631.25604	7.2
659.36060	5.3
690.38513	0.6
725.44122	2.4
887.49579	100.0
888.49762	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	887.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	5.6
69.03424	3.8
69.07056	1.7
69.12914	4.4
71.01331	0.7
71.04979	1.2
71.08640	2.0
73.02902	4.0
79.05505	4.1
81.03394	3.8
81.07037	6.5
83.04985	1.3
83.08622	1.7
85.02888	6.3
91.03940	3.6
91.05473	4.0
92.55439	0.7
93.07034	3.9
95.04968	2.0
95.08563	3.7
95.60902	0.7
97.02873	4.9
97.10182	1.4
101.02382	1.8
105.07005	3.4
107.04941	0.9
107.08589	2.2
109.02869	1.5
109.06541	1.3
109.10136	1.6
110.81367	0.6
111.08125	1.0
117.07020	1.3
119.08606	2.2
121.10098	1.0
123.08034	1.1
123.11746	0.9
127.03915	1.8
131.08575	1.5
133.10159	1.8
145.10165	0.9
149.09628	0.6
160.19585	0.7
173.55099	0.6
189.06918	0.6
193.12173	1.0
193.17328	0.7
196.34038	0.7
227.12817	0.7
243.08360	1.5
251.12598	1.0
266.57715	0.6
275.20139	0.9
289.18011	0.8
291.19659	1.1
313.27469	1.6
347.09460	1.5
379.25067	0.7
399.19388	2.0
405.13519	3.8
469.20456	2.7
497.30609	5.3
528.37732	0.8
631.26080	2.6
659.35956	6.0
690.38489	0.9
691.39374	2.3
725.44214	1.7
887.49481	100.0
888.49542	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	888.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40274	2.6
65.03930	4.6
67.05495	62.7
69.03429	8.6
69.07062	30.2
70.90170	2.6
71.05003	7.3
78.56609	2.3
79.05482	64.9
81.03408	5.7
81.07052	64.8
81.07554	3.0
83.04975	17.2
83.08610	33.8
85.02903	6.8
85.06564	2.4
91.05466	60.1
93.06449	3.3
93.07035	58.9
93.07597	4.2
95.04953	66.4
95.08583	28.7
95.30617	2.3
97.02890	6.5
97.06522	9.3
97.10169	18.7
99.04417	4.7
99.45691	2.2
103.05434	2.7
105.04523	3.3
105.07024	45.3
107.04928	21.0
107.08575	46.2
109.02879	4.2
109.06508	17.3
109.10133	25.8
111.04440	12.4
111.08081	8.8
115.05473	4.1
117.07000	26.0
119.08572	42.0
121.06508	13.7
121.10123	20.2
123.08053	11.0
125.09630	12.1
128.06210	3.2
129.07010	8.8
130.98912	3.8
131.08548	23.8
133.06488	6.1
133.10123	25.3
135.08038	30.4
135.11681	9.4
137.09589	9.0
141.07018	4.1
142.07715	2.6
143.08546	8.3
145.06505	5.5
145.10103	25.5
147.08067	8.3
147.11661	12.6
149.09604	27.7
149.13257	4.3
151.11163	4.5
155.08537	4.1
157.10138	7.9
159.08081	5.7
159.11716	13.1
161.09636	8.9
161.13260	3.5
163.07584	5.6
163.11153	25.9
165.12729	2.8
169.10141	4.4
171.05743	2.9
171.11732	3.5
173.09680	3.4
173.11734	2.8
173.13232	6.0
175.11227	8.2
177.12701	4.3
179.14354	2.5
181.12386	2.5
183.11667	5.2
187.11156	5.0
189.11212	11.1
191.10681	3.2
194.46982	3.1
205.12228	5.8
205.94630	2.5
215.97237	2.3
221.11534	2.5
223.13210	29.1
227.12740	3.8
238.64653	2.8
239.17920	3.0
257.19003	7.9
271.16943	4.7
273.18491	12.5
275.20013	56.7
275.22910	4.0
279.15335	4.1
289.17975	12.5
289.28641	2.6
291.19580	32.0
293.21075	37.0
347.22046	4.9
349.23724	22.3
365.23148	16.6
367.24756	41.5
383.19724	10.2
399.19269	100.0
400.19492	4.0
401.20847	4.6
407.92673	2.6
637.40344	4.3
655.41345	3.3
673.38544	43.5
691.39508	93.2
692.40015	6.8
844.18152	3.0
888.47711	3.8
889.48657	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	888.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88271	2.6
65.03910	4.5
67.05154	4.4
67.05497	59.2
69.03416	7.5
69.07062	26.3
71.04974	5.1
78.24602	2.4
79.05047	4.0
79.05482	59.7
81.03394	8.7
81.07042	100.0
83.04985	12.7
83.08607	17.9
85.02867	5.0
85.06508	4.3
85.95050	2.6
91.05459	55.9
93.07029	52.7
95.04963	25.7
95.08608	30.3
97.02897	3.5
97.06502	10.1
97.10148	9.5
99.08047	3.4
105.07000	45.7
107.04927	19.9
107.08577	35.3
109.02859	4.6
109.06499	33.7
109.10151	16.3
111.04416	3.4
111.08040	6.0
113.14352	2.8
115.05388	3.3
117.07029	19.2
119.04935	3.4
119.08562	35.3
121.06496	14.2
121.10123	17.2
123.08083	12.3
123.11692	6.5
125.09620	5.7
126.90926	2.3
128.06284	2.5
129.06960	7.4
131.08577	19.3
133.06453	8.8
133.10098	30.9
135.08054	23.9
135.11661	8.3
137.09581	11.3
141.06970	3.2
143.08514	7.0
145.06474	4.2
145.10094	17.2
147.07993	8.7
147.11655	16.6
149.09581	8.7
149.13261	4.7
151.11180	8.7
155.08551	3.9
159.08047	6.3
159.11638	10.7
161.09589	8.7
161.13229	3.8
163.07478	6.6
163.11147	10.8
165.12738	4.9
169.10098	3.1
171.05721	3.6
171.11708	3.7
175.11168	5.0
185.13181	4.5
187.11201	3.2
193.12141	4.1
201.16141	3.0
229.19398	3.4
239.17979	3.2
253.14284	22.9
255.17383	3.3
257.19070	5.5
273.18484	14.8
275.20001	48.6
289.18024	12.8
291.19400	12.9
293.21082	17.0
347.21780	4.1
349.23679	29.5
363.21469	4.1
365.23163	9.6
367.24783	44.1
381.22443	7.8
383.19788	5.6
385.21225	6.5
399.19260	80.1
400.19373	3.6
401.20721	8.9
446.48788	3.1
579.31158	5.4
597.32172	5.1
637.40588	7.2
673.38452	67.0
691.39581	70.7
692.39539	3.7
888.49585	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	888.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	4.5
67.05499	48.3
69.03416	15.0
69.07055	22.7
69.39352	3.0
69.39759	6.0
71.04961	4.2
73.02910	1.8
74.89486	1.6
79.05035	3.5
79.05484	55.0
81.03417	7.8
81.07047	55.7
81.87757	1.6
82.23168	1.6
83.04976	11.5
83.08607	28.6
85.02898	4.1
91.05473	51.3
93.07034	43.4
95.04950	27.9
95.08590	33.7
97.02892	4.6
97.06507	7.4
97.10164	5.0
99.08091	2.1
103.05457	2.0
105.04462	4.5
105.07021	43.5
107.04948	19.1
107.08578	30.8
109.02861	3.3
109.06487	9.3
109.10132	17.5
111.04383	1.6
111.08063	6.1
115.05388	2.2
117.07009	19.1
119.06040	1.9
119.08551	33.8
121.06503	11.1
121.10121	14.1
123.04408	2.1
123.08070	6.6
123.11707	3.4
125.09586	6.2
129.05537	2.2
129.06987	5.2
130.98964	3.0
131.08565	19.4
133.06453	3.8
133.10115	29.3
135.08038	22.1
135.11700	7.5
137.09610	10.1
141.06921	2.9
143.08531	5.6
145.06503	3.3
145.09073	3.1
145.10101	20.7
147.08015	5.1
147.11656	13.4
149.09590	21.4
149.13338	2.6
151.11171	5.4
155.07043	2.9
155.08507	3.8
157.10114	4.1
159.11661	10.6
161.09586	7.6
161.13263	4.7
163.07524	5.1
163.11142	17.1
165.12692	4.3
169.10091	5.1
171.05670	4.9
171.11656	5.6
173.09586	4.6
173.13271	5.6
175.11185	3.3
177.12773	3.5
179.10652	2.2
181.12198	2.6
183.11627	4.0
187.11107	2.9
187.14702	1.9
189.11169	2.5
193.12164	2.4
197.13310	1.7
199.84970	2.0
201.16315	1.8
205.12103	2.4
210.08163	2.0
213.16420	1.9
221.11606	2.2
223.13260	3.2
229.19501	3.4
239.17943	5.9
243.17477	5.4
243.65945	1.6
247.20497	2.1
249.88580	1.8
256.73291	1.5
257.19016	9.6
271.16895	3.1
275.20044	63.7
276.20099	1.9
279.15128	4.7
289.17947	10.0
293.21069	10.8
335.25705	2.7
349.23666	58.3
362.49240	1.8
367.24680	29.3
399.19272	100.0
546.33374	1.9
637.40918	2.2
673.38525	54.4
674.38947	3.7
691.28552	3.4
691.39661	62.8
692.39850	3.7
888.48712	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	888.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	4.2
67.05497	72.6
69.03420	7.0
69.07058	36.5
71.01353	2.1
71.05006	8.3
73.02917	2.5
79.05482	59.0
81.03407	11.0
81.07046	100.0
83.04984	12.4
83.08620	22.4
85.02908	3.3
85.06538	5.1
91.05470	50.7
93.07034	50.4
93.07595	3.6
95.04959	25.1
95.08591	33.8
97.02885	7.7
97.06510	18.8
97.07028	1.9
97.10174	10.3
99.08062	4.5
103.05432	2.1
104.55643	1.5
105.04508	4.7
105.07009	46.0
107.04949	14.3
107.08580	38.3
109.02908	1.9
109.06504	26.5
109.10140	31.2
111.04440	4.6
111.08074	8.7
115.05443	2.9
116.04680	1.9
117.06998	16.2
119.08563	34.1
121.06463	8.3
121.10129	21.5
123.04434	5.1
123.08022	11.3
123.11713	7.7
125.09612	10.2
128.06198	2.8
129.05478	9.8
129.06969	8.1
131.08559	19.7
133.06468	3.9
133.10100	23.4
135.06958	3.3
135.08002	14.4
135.11662	13.5
137.09567	11.3
141.07051	2.2
143.07056	1.9
143.08580	6.8
145.06512	2.2
145.10097	22.1
147.08026	5.4
147.11659	17.6
149.09608	13.0
149.13200	9.8
151.07553	1.8
151.11102	3.5
153.09105	2.9
155.08539	3.2
155.10675	1.9
157.08594	5.7
157.10107	5.1
159.08072	3.4
159.11688	10.0
160.50894	1.6
160.59633	1.8
161.09631	4.9
161.13254	3.3
163.11174	10.1
165.12787	5.1
169.10144	4.3
171.10269	2.9
171.11708	4.8
173.09625	4.7
173.11813	3.8
173.13287	4.8
175.11185	5.2
175.14694	1.8
177.12724	3.6
179.14314	1.8
183.11671	2.9
185.13390	2.7
187.11165	2.5
189.11208	3.7
191.14244	1.9
193.12224	21.3
195.13857	2.3
221.11803	2.5
227.12747	6.3
229.14339	12.5
239.12752	2.1
239.17923	3.9
247.16838	1.9
247.20592	4.1
257.18936	8.4
261.18402	2.0
267.15930	3.6
269.17560	5.7
273.18484	10.9
275.20029	52.0
289.17938	9.1
291.19556	9.5
293.21127	10.1
293.24106	1.8
307.18863	4.6
309.20627	2.4
347.22272	4.4
349.23682	33.7
363.21597	4.3
365.22989	9.0
367.24710	28.4
368.25195	2.1
381.22852	4.1
383.24335	2.4
399.23676	28.4
409.25394	2.7
423.27417	6.0
445.29654	3.2
449.28979	4.3
463.30466	6.7
503.33890	9.1
521.34442	4.1
525.35339	2.7
529.35260	4.4
543.36841	16.9
561.37512	3.0
575.38617	2.4
607.34723	2.5
623.42609	2.3
637.40210	2.4
639.42383	9.0
641.43323	2.5
655.41821	7.6
657.43378	6.6
673.43115	14.5
674.43225	2.4
691.44006	33.8
692.42999	2.0
824.86798	2.0
888.49835	2.6
889.45026	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	888.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.0
67.05495	92.4
68.05827	1.9
69.03417	9.2
69.06702	2.3
69.07059	41.8
71.01339	3.7
71.04997	8.1
71.08595	1.4
73.02892	3.8
77.03932	2.0
79.05482	70.6
80.05775	1.4
81.03397	17.8
81.07045	100.0
82.07328	1.9
83.04967	18.4
83.08609	45.6
85.02876	5.7
85.06533	5.1
87.04465	1.5
91.05468	74.6
92.05771	1.6
92.20427	1.1
93.07029	67.1
94.07366	1.2
95.01315	2.7
95.04326	1.7
95.04953	43.2
95.08590	45.5
97.02885	14.6
97.05948	2.0
97.06522	22.3
97.10155	16.6
99.04420	2.6
99.08077	5.8
99.83187	1.4
103.05434	2.7
105.04507	4.1
105.07015	57.2
105.07729	2.8
106.07364	2.0
107.04234	1.9
107.04942	27.5
107.08580	44.8
108.08878	1.7
109.02879	3.1
109.06505	26.2
109.09402	2.8
109.10140	42.0
111.04424	7.3
111.08074	12.1
113.05986	1.6
115.05429	3.4
116.04684	3.9
116.06219	1.4
117.06992	25.8
119.04913	2.6
119.08559	49.8
121.06478	13.2
121.10135	26.1
123.04425	6.4
123.08034	15.1
123.11681	5.9
125.05960	1.5
125.09621	13.3
127.03883	2.3
127.07581	1.9
128.06184	3.1
129.05473	13.9
129.06953	8.1
130.07785	2.7
131.08553	28.5
133.06464	6.2
133.10110	40.2
134.10435	1.5
135.08046	18.8
135.11671	19.2
137.05905	1.9
137.09602	18.6
139.07539	1.6
139.11143	5.1
141.06923	2.6
142.07710	1.4
143.06999	3.7
143.08557	7.2
145.06433	6.2
145.10107	34.5
147.08051	11.0
147.11668	20.2
149.09598	30.9
149.13234	7.6
150.09801	1.4
151.11145	8.4
153.09064	6.0
155.08546	5.7
155.10623	2.9
156.34726	1.2
157.08578	6.4
157.10123	9.7
159.08006	4.4
159.11667	17.7
159.30681	1.2
161.09605	10.8
161.13193	7.9
162.26300	1.3
163.07568	1.7
163.11162	33.9
163.14809	3.2
165.09116	6.2
165.12764	8.8
167.10704	2.0
169.10112	5.0
171.10135	5.2
171.11679	8.3
173.09576	5.6
173.11694	6.9
173.13246	8.9
175.11160	10.0
175.14903	1.4
177.09111	2.3
177.12688	6.2
179.10677	2.6
179.14201	1.6
181.12199	3.4
183.11658	3.8
185.11720	1.4
185.13248	2.5
185.41026	1.2
187.11159	5.2
187.14789	3.3
189.11179	7.1
189.12724	3.7
191.14313	2.0
193.12196	16.2
197.13220	3.6
199.13199	2.8
199.14827	2.5
201.12712	3.8
201.14569	1.7
201.16364	2.1
203.14388	1.9
205.12209	3.5
207.13814	2.4
207.55899	1.4
209.11681	1.6
211.14915	1.9
213.16339	2.4
215.17903	2.6
219.13815	2.1
221.11731	2.9
223.13211	6.3
227.12785	7.7
229.14282	18.6
229.19496	5.8
239.12781	3.1
239.18025	6.4
245.18956	3.6
247.17014	1.5
247.20525	4.9
257.18988	14.5
261.18384	1.6
267.15799	2.3
269.17328	4.3
271.16788	2.6
273.18402	17.3
274.18649	1.9
275.20026	81.8
276.20380	2.9
283.15359	2.7
289.17902	10.5
291.19452	14.3
292.19995	1.8
293.21097	17.5
295.15256	1.8
307.19006	2.5
312.15063	1.2
329.21124	1.7
347.22336	8.0
349.23660	55.9
350.24103	1.7
363.21591	4.5
365.23187	16.4
367.24716	30.6
368.25156	1.9
381.22443	6.1
399.23685	30.1
409.25659	1.7
423.27417	2.1
445.29431	1.6
503.33664	13.1
521.34747	6.8
529.34784	4.0
543.36652	6.6
561.37842	3.0
583.39819	2.3
587.35767	1.9
605.07263	1.6
605.36450	2.4
621.41394	2.8
623.43158	1.7
637.40570	3.2
639.42322	17.9
641.43628	3.8
655.41699	5.2
657.43475	13.1
673.42896	21.2
691.43994	35.3
888.43665	3.8
889.46790	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	888.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.6
67.05494	47.1
68.05811	0.7
68.65706	0.7
69.03416	6.2
69.06702	1.3
69.07056	22.4
71.04642	0.7
71.04981	5.4
72.33889	0.7
73.02917	0.8
77.03893	1.4
79.05479	50.2
81.03407	12.3
81.07043	93.2
83.04969	17.2
83.08603	18.3
85.02879	4.3
85.06522	3.4
86.15073	0.7
90.71336	0.8
91.05464	36.7
93.07030	37.5
95.01305	1.0
95.04955	21.7
95.08591	22.4
97.02914	0.9
97.06525	8.5
97.10151	31.5
99.04465	4.0
99.08083	2.8
103.05444	1.8
105.03375	0.9
105.04488	2.0
105.06335	1.6
105.07014	27.6
105.07725	1.5
107.04932	19.4
107.05662	0.9
107.08574	26.4
109.06502	15.0
109.10140	12.1
111.04426	17.1
111.08060	7.9
115.05461	2.5
117.06996	17.0
119.04926	1.5
119.08559	31.0
119.09407	1.5
121.06475	11.3
121.10120	15.9
123.04430	1.8
123.08050	29.5
123.11684	1.0
125.05975	1.9
125.09612	26.2
128.06209	2.5
129.05493	0.8
129.06999	9.5
130.07750	0.8
131.07632	1.4
131.08548	17.5
132.05667	0.8
133.06458	5.4
133.10114	13.8
135.08032	11.3
135.11674	12.1
136.11917	0.9
137.09602	7.1
139.11151	2.1
141.06963	1.8
142.07751	2.5
143.08542	9.4
143.10646	1.2
145.06499	3.5
145.10106	21.1
147.08031	16.5
147.11659	9.5
149.09602	10.3
149.13232	2.3
151.07489	1.2
151.11188	1.3
153.09062	5.2
153.12720	8.4
155.08482	3.6
157.06435	0.9
157.10103	9.5
159.08034	3.3
159.11670	7.5
161.09581	15.0
161.13228	2.2
163.11148	25.2
165.09108	7.9
165.12694	1.2
169.10112	2.1
171.10121	2.6
171.11650	5.2
173.09624	7.0
173.13277	1.6
175.11153	8.1
175.14810	0.7
177.09204	0.8
177.12729	2.5
179.10635	1.0
181.10181	1.5
181.12209	8.0
183.11656	1.6
185.08064	0.8
185.09647	2.5
185.13225	3.5
187.11177	2.5
189.11191	23.6
189.12685	2.0
191.10652	8.3
193.12192	5.4
195.11647	1.6
199.11185	2.0
203.10632	1.7
203.14319	1.1
205.12186	1.9
209.11687	3.0
213.12834	0.8
213.16348	1.4
217.15750	1.0
219.13751	1.4
223.13239	6.7
227.12712	25.3
227.17888	3.0
231.17358	1.2
233.15535	0.9
235.13274	0.8
237.16455	1.2
245.13786	2.1
245.18939	5.7
249.14799	1.7
255.17439	7.6
263.20023	1.8
267.15894	0.9
273.18451	58.9
274.18802	1.0
283.15131	4.1
291.19498	100.0
292.19852	3.1
309.20547	13.1
311.20111	1.0
329.21024	2.5
347.17850	1.4
347.22098	23.7
348.22186	1.0
365.23178	65.3
366.23538	2.9
383.24191	34.3
414.36053	0.8
445.29572	0.8
510.51962	0.9
513.31409	1.1
517.31512	2.3
527.33881	1.4
535.32135	4.7
539.33350	1.6
557.35138	1.6
563.36865	1.8
573.34003	2.3
581.37958	2.4
591.35181	1.7
599.39270	2.0
619.39819	2.6
633.86932	0.8
637.40784	18.8
638.41766	1.8
655.41907	35.8
656.42151	2.8
673.31976	1.5
673.42981	24.7
674.43274	2.0
691.43939	9.4
692.43304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.8
67.05493	88.3
69.03413	10.8
69.07056	46.7
71.04986	9.0
73.02905	4.7
77.03929	3.3
79.05481	74.2
81.03402	17.0
81.07043	92.9
83.04967	26.3
83.08608	56.5
85.02917	9.2
85.06541	5.4
87.04456	2.1
91.05459	67.0
93.03412	1.7
93.07030	76.4
95.01290	1.6
95.04951	100.0
95.08589	43.8
96.05766	2.0
96.68133	1.5
97.02880	15.8
97.06517	23.6
97.10144	30.1
99.04430	9.0
99.08089	3.1
103.05444	3.5
105.04509	4.4
105.07011	57.3
107.04937	31.5
107.08575	58.4
109.02874	2.3
109.06501	27.5
109.10143	44.8
111.04434	15.9
111.08064	14.3
113.06020	2.3
113.09625	1.9
115.05447	5.8
116.04712	6.6
117.07009	27.1
119.04975	1.6
119.06014	1.8
119.08565	53.5
120.08887	1.8
121.06493	14.5
121.10123	34.0
123.04418	7.1
123.08073	18.0
123.11731	4.5
125.05985	4.5
125.09619	27.5
127.07462	1.6
128.06213	4.4
129.05460	21.2
129.06935	8.2
130.07698	2.3
131.04897	2.1
131.08546	31.1
131.09444	2.5
133.05635	1.6
133.06505	7.4
133.10103	30.9
135.08028	24.1
135.11668	21.2
137.05992	3.1
137.09599	27.7
139.07574	2.4
139.11217	5.7
141.06987	4.0
143.07022	5.7
143.08603	8.9
143.10706	2.0
145.06450	5.1
145.10092	40.2
147.08026	13.6
147.11671	20.8
149.09593	40.4
149.13240	3.7
151.07552	3.6
151.11201	6.0
153.09097	10.1
153.12712	4.0
155.08557	4.2
155.10670	2.7
157.08604	14.8
157.10088	6.8
159.08034	5.1
159.11658	17.9
161.09590	11.2
161.13269	6.6
163.11151	45.1
163.14807	1.7
165.09122	6.3
165.12720	8.4
167.10670	2.0
169.10138	5.4
171.10143	5.7
171.11656	5.9
173.09578	4.7
173.11739	9.5
173.13248	6.2
175.11171	7.5
175.14812	1.7
177.12755	7.2
179.10710	3.6
179.14302	1.8
181.12190	3.4
183.11670	5.0
185.09625	2.4
185.11739	2.0
185.13225	3.5
187.11191	5.0
187.14780	2.3
189.11200	18.9
189.12747	3.5
191.10681	4.9
191.14301	2.7
193.12192	17.8
197.13260	2.8
199.13232	3.8
200.13779	1.9
201.12706	3.5
201.16327	2.1
203.10561	1.8
205.12149	9.4
207.13817	3.5
211.13228	4.6
211.15056	2.2
213.16405	2.4
217.14430	1.7
219.13869	3.0
221.11751	6.1
223.13261	60.9
227.12697	10.2
229.14293	19.1
229.19487	4.3
239.12778	5.0
239.17987	5.7
255.17575	2.1
257.18973	15.1
267.15976	2.2
273.18427	23.9
275.20016	99.6
276.20334	1.9
283.15451	2.1
289.17929	14.5
291.19424	19.1
293.21033	50.3
294.21481	2.1
295.15482	3.8
307.19061	5.3
309.20734	3.2
311.22101	2.7
313.16470	3.0
331.22507	2.3
347.22076	14.5
349.23621	39.1
363.21545	5.3
365.23163	24.4
366.23874	1.7
367.24725	62.7
368.25208	2.1
381.22815	8.1
399.23706	51.1
463.30420	2.0
503.33472	7.4
521.34662	17.6
543.36713	5.0
561.37256	4.7
587.35352	3.9
605.36151	4.6
621.41223	4.4
637.40515	2.2
639.42395	27.0
640.42603	3.5
655.41840	4.4
657.43518	22.3
673.42993	25.6
674.42798	2.3
691.43951	44.5
692.44037	5.4
888.45862	2.2
889.43408	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	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11152	1.1
65.03928	3.8
67.05494	57.5
69.03409	6.0
69.07056	27.9
71.04982	5.1
77.03883	1.7
79.04981	1.3
79.05099	0.8
79.05479	67.3
81.03408	12.6
81.07042	100.0
82.07367	2.2
83.04971	16.3
83.08601	18.5
83.45251	1.2
85.02892	3.9
85.06519	3.2
91.05466	52.0
93.07030	49.3
95.04959	30.2
95.08591	28.7
97.02882	2.3
97.06510	15.7
97.10151	19.2
99.04448	3.0
99.08098	4.2
103.05449	1.9
105.03352	1.3
105.04501	2.6
105.07010	40.7
107.04931	25.8
107.08575	33.6
108.14796	1.2
109.06497	22.0
109.10141	17.6
111.04420	9.9
111.08062	8.3
115.05448	2.9
116.06189	1.5
117.06994	18.0
119.04945	3.2
119.08561	38.5
119.81001	1.1
121.06489	11.0
121.10115	21.0
123.04424	2.9
123.08041	23.8
123.11723	2.3
125.09627	17.1
128.06194	4.1
129.06973	13.0
130.07704	1.4
131.04968	1.4
131.08546	26.0
133.06456	7.8
133.10106	21.5
135.08038	12.4
135.11653	14.2
137.08688	1.2
137.09578	6.5
139.11154	2.0
141.06976	1.7
143.08540	13.1
145.06465	5.2
145.10095	25.1
147.08031	15.1
147.11661	14.3
149.09621	15.6
149.13301	3.3
151.07446	1.8
151.11165	4.9
153.09103	3.4
153.12720	5.5
155.08524	4.2
157.10123	11.9
158.07304	1.2
159.08029	4.9
159.11659	10.3
160.08592	1.1
161.09605	15.5
161.13251	4.1
162.21587	1.1
163.11163	21.4
163.12428	1.9
165.09114	4.4
165.12721	3.0
169.10152	3.0
171.08035	1.5
171.10312	2.2
171.11655	6.8
173.09665	7.9
173.13261	3.8
175.11166	10.7
177.12724	4.0
179.08421	1.3
179.10742	2.8
181.10176	1.7
181.12244	4.7
183.11661	2.8
185.09650	2.3
185.13243	4.4
187.11137	1.9
188.57706	1.1
189.11206	13.9
189.12753	3.3
191.10692	5.4
193.12234	5.0
195.11647	2.1
197.13306	1.2
199.11266	2.5
199.14754	1.7
201.12830	1.4
201.16525	1.5
201.29008	1.3
203.10706	1.5
203.14360	1.7
209.11658	2.2
211.13235	2.5
213.16434	1.1
220.11559	1.3
221.11554	1.2
223.13190	6.5
227.12724	15.8
227.14687	1.4
227.17993	4.3
229.14128	1.2
231.17345	1.7
233.15211	1.6
233.51825	1.2
237.16446	3.0
245.13519	1.8
245.18967	7.0
249.14812	1.9
255.17488	8.6
263.20071	4.7
267.15845	3.9
273.18445	61.1
274.18799	1.4
275.19974	3.7
283.15323	3.4
285.16821	6.4
289.17969	2.4
291.19501	74.5
292.19757	2.6
307.18872	2.3
309.20547	9.6
329.20953	1.9
337.23560	4.5
347.22104	27.8
349.23553	1.4
365.23184	58.5
366.23401	2.4
381.22574	1.3
383.24197	34.5
501.32300	1.8
513.31659	1.8
517.31470	1.5
527.33795	1.9
529.35089	2.8
535.32336	2.1
539.33752	2.1
545.35077	3.6
557.34784	8.1
563.36261	1.9
573.33453	1.9
575.35535	10.4
581.38110	1.3
593.36511	3.6
619.39960	2.2
637.41046	14.5
638.40961	1.9
655.41815	28.8
673.42957	17.1
691.44067	11.2
888.43945	2.9
889.44788	2.6
910.29016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	3.4
67.05154	4.2
67.05495	56.0
68.14805	2.8
68.81058	2.8
69.03413	6.4
69.07057	30.6
71.04991	5.4
79.05482	55.7
81.03420	14.6
81.07045	100.0
83.04962	18.3
83.08605	20.8
85.02895	8.1
91.05469	49.7
93.07034	45.0
95.04958	26.2
95.08595	30.9
97.06509	9.7
97.10162	19.8
105.07007	38.4
107.04913	25.2
107.08586	32.4
109.06507	20.9
109.10146	17.8
111.04435	19.3
111.08047	8.9
117.07009	21.2
119.08573	30.2
121.06480	11.0
121.10137	21.1
123.04398	3.3
123.08048	16.7
123.11670	4.6
125.09633	18.8
128.06224	4.9
129.06952	13.6
131.08563	18.8
133.06456	7.8
133.10100	21.1
135.08044	12.1
135.11653	14.5
137.09605	9.9
139.07477	2.9
143.08543	14.1
145.06482	3.3
145.10098	28.3
147.07990	18.3
147.11652	11.6
149.09596	12.3
151.11238	3.1
157.10121	10.0
159.11667	10.6
161.09573	18.0
163.11113	16.8
165.09142	4.5
171.10249	3.7
171.11641	6.4
173.09572	7.7
175.11192	9.2
177.12737	5.5
181.12204	8.8
185.09612	3.3
185.13280	6.7
189.11200	11.8
201.54430	3.0
213.16118	3.1
221.07861	2.8
223.13268	4.8
227.12836	14.8
228.38551	3.6
231.41550	3.0
232.03218	2.7
240.41536	3.4
245.18976	7.6
255.17351	8.9
257.75412	2.7
263.19876	3.1
273.18417	55.9
283.15152	5.1
285.16800	4.2
289.17883	3.6
291.19522	67.9
306.71735	3.1
309.20557	7.8
347.22162	28.3
365.23233	62.0
383.24179	36.8
545.34973	3.2
554.78271	2.8
557.34430	6.4
563.37323	3.3
575.35687	13.1
593.36432	4.0
609.41956	3.1
627.42395	3.5
637.41193	19.9
655.41754	30.4
673.43475	18.2
691.43311	8.8
695.50696	3.3
836.99097	3.4
888.44348	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	889.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46246	0.3
67.05500	4.1
69.03429	2.7
69.07066	3.0
69.80864	1.0
71.01350	0.5
71.04993	0.6
73.02908	3.0
79.05481	4.2
79.05875	0.3
80.05821	0.4
81.03401	2.0
81.07047	5.0
83.05000	1.0
83.08623	1.3
85.02885	4.0
91.03953	2.0
91.05466	3.3
92.05828	0.3
93.07033	3.3
95.04965	3.4
95.08575	1.4
96.05289	0.3
97.02880	3.5
97.06532	1.0
97.10197	1.4
99.00817	0.4
99.04470	0.9
101.02380	1.5
105.07012	2.6
107.04942	1.4
107.08562	2.6
109.02892	0.8
109.06511	1.4
109.10168	1.2
111.04442	0.6
111.08096	0.7
115.03946	0.5
117.07021	1.0
119.08552	2.0
121.06512	0.7
121.10175	1.0
123.04404	0.7
123.08096	0.7
125.09609	1.6
127.03925	0.8
129.07048	0.4
131.08577	0.7
133.10132	1.5
135.08020	1.6
135.11742	1.0
137.09604	0.7
143.08542	0.5
145.06548	0.4
145.10165	1.1
146.10553	0.4
147.08015	0.4
147.11703	0.7
149.09676	1.0
157.08781	0.3
157.10081	0.5
159.08133	0.6
159.11732	0.6
160.08430	0.3
161.09669	1.2
163.07480	0.4
163.11221	1.0
165.09303	0.3
173.09706	0.4
175.11266	0.4
179.10681	0.5
181.12268	0.5
185.04216	0.7
189.11266	0.5
191.10570	0.5
193.12294	1.0
223.13370	0.7
224.13649	0.4
227.12866	0.5
243.08377	4.8
243.10550	0.4
243.17543	0.4
271.16861	0.3
273.05212	0.3
273.18683	0.4
275.20163	1.1
276.20474	0.5
289.18137	0.8
290.18478	0.3
293.21161	0.6
301.09174	0.9
309.57132	0.3
313.08990	0.6
317.13663	0.5
317.17273	0.3
324.86990	0.3
347.18375	1.7
349.23874	0.6
350.24203	0.4
367.25171	0.4
369.15335	1.2
385.18506	0.6
403.20834	0.6
439.19507	1.4
467.18906	1.1
479.18729	0.6
495.18423	0.8
497.20117	0.7
562.38232	0.4
565.26129	10.9
565.34955	0.6
566.26654	0.6
637.28442	0.8
693.33942	0.7
763.37677	0.7
889.45386	100.0
890.45734	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	890.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
69.03416	9.5
71.04969	0.9
71.45912	0.3
73.02885	1.1
76.72097	0.2
77.03908	3.0
79.05478	3.1
81.03407	10.9
83.04984	0.3
85.02892	13.4
87.04459	0.7
91.05464	19.2
94.88928	0.3
95.04955	16.2
96.12508	0.3
97.02876	7.8
99.03875	0.3
99.04452	1.8
103.03912	0.3
103.05430	0.2
105.03377	100.0
105.04384	5.4
106.03705	1.0
109.02861	8.7
119.04928	12.9
123.04401	5.9
123.07998	0.4
127.03892	7.7
136.05179	1.8
137.06026	1.3
145.02896	0.5
145.04939	3.5
151.07521	51.7
152.07845	0.9
163.03784	0.3
165.05475	0.5
175.04086	0.4
177.05501	0.7
193.08589	0.4
194.11781	0.5
194.33620	0.3
195.06569	0.5
196.13306	40.4
197.13646	0.8
207.06509	0.8
228.63414	0.3
231.06471	2.4
249.07527	14.5
267.08588	14.9
279.10147	0.8
294.12424	2.6
295.09738	1.0
295.13016	0.4
310.11899	1.3
325.14288	2.5
342.16998	1.0
429.14075	0.3
462.21152	9.1
463.20993	0.3
488.17035	0.3
515.15552	0.4
728.28235	0.5
729.06488	0.4
890.34186	34.0
891.34467	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	4.6
67.05497	62.4
69.03415	6.2
69.06705	2.3
69.07059	37.5
69.95524	1.8
69.95869	4.5
71.04990	8.1
72.19047	1.4
75.00004	2.8
79.05482	84.2
81.03400	14.6
81.07047	95.4
81.75909	1.5
83.04976	17.8
83.08606	50.2
85.02886	9.1
85.06528	3.9
91.05469	67.5
93.07032	71.8
95.01310	2.3
95.04954	100.0
95.08008	2.9
95.08593	43.4
95.09196	2.9
97.02884	3.7
97.06511	10.2
97.10146	21.7
99.04449	7.8
99.08089	2.1
105.04507	4.1
105.07014	62.4
107.04939	30.0
107.08581	50.2
109.06509	20.1
109.10139	23.9
111.03751	2.0
111.04435	16.4
111.08049	13.1
115.05441	4.1
117.01042	1.9
117.07012	29.4
119.05006	1.5
119.07727	3.5
119.08557	56.4
121.06498	17.4
121.10126	37.2
123.08056	25.1
123.11686	2.3
125.05983	1.8
125.09608	18.0
128.06194	5.9
129.07002	12.0
130.07736	3.2
131.02521	1.9
131.08553	35.1
133.00531	2.1
133.06482	7.8
133.09158	2.9
133.10104	28.6
134.34956	1.4
135.08067	13.1
135.11662	18.2
135.55060	1.9
137.09593	8.6
139.11182	2.7
141.06985	3.4
142.07739	1.9
143.08530	13.1
145.06458	4.8
145.10107	46.8
147.08035	15.6
147.11678	16.7
149.09604	51.9
149.13235	4.9
151.11198	5.2
153.09074	2.3
153.12738	4.2
155.08516	4.6
157.06381	1.5
157.10141	10.1
159.08035	3.3
159.11667	19.8
161.09621	14.8
161.13219	4.4
163.11154	47.5
165.12721	7.5
167.08562	1.7
169.10098	5.9
171.10262	3.0
171.11656	10.1
173.09589	5.5
173.11823	2.9
173.13246	5.5
175.11130	9.7
175.14819	1.8
177.12746	6.0
181.12178	2.5
183.11650	4.5
185.11731	1.9
185.13245	6.3
187.11105	8.8
187.14761	2.5
189.11177	15.0
189.12749	4.4
191.10638	5.2
191.14310	2.9
193.12157	2.3
197.07265	4.6
197.13217	3.8
199.11183	1.8
201.12720	1.5
205.12172	7.2
211.14784	2.0
213.16353	3.1
217.15776	1.9
223.13246	54.9
227.12723	4.6
227.17952	3.3
229.19408	4.4
239.17912	6.5
245.18977	3.5
247.20554	4.5
249.14795	2.1
255.17403	6.3
257.18921	11.2
273.18460	38.5
275.20032	73.7
281.17026	1.6
291.19492	46.6
293.21054	58.0
309.16043	8.8
327.17218	2.8
329.21039	2.2
331.22342	1.5
347.22086	23.3
349.23682	45.8
362.23755	1.5
365.23007	3.8
367.24734	77.1
368.25430	2.2
383.19778	54.9
384.20026	2.3
401.20847	73.6
402.21149	1.8
520.30872	2.1
531.36456	1.7
621.40930	7.0
639.34100	1.7
639.42627	20.3
657.38757	16.0
675.40088	70.8
676.39642	3.8
693.41193	66.4
694.41162	3.1
890.46539	5.0
891.50604	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	890.501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	3.1
67.05492	43.5
69.03413	4.5
69.07053	27.3
71.04979	3.3
74.61955	0.9
79.05482	54.6
81.03430	5.8
81.07043	100.0
83.04980	7.5
83.08591	14.0
85.02879	3.8
85.06525	4.7
90.34447	1.1
91.03912	1.2
91.05465	43.8
93.07033	41.6
93.07505	0.6
95.04950	20.0
95.08587	30.7
97.02892	1.6
97.06515	7.7
97.10136	6.5
99.08090	3.0
103.05401	1.2
105.04502	1.6
105.07014	37.1
105.07727	2.2
107.04932	18.2
107.08573	24.2
107.09244	1.8
109.06503	29.6
109.10131	14.3
110.90331	1.3
111.04422	1.6
111.08032	6.2
113.05948	1.1
115.05428	1.5
117.06995	16.1
119.08557	33.3
121.06487	10.2
121.10129	21.1
123.08048	17.3
123.11697	5.8
125.09609	4.6
128.06166	1.5
129.07007	8.8
130.07739	1.3
131.08548	20.9
133.06441	3.7
133.09164	1.7
133.10114	22.7
135.08026	8.7
135.11647	8.5
137.09622	5.6
141.06996	2.4
142.07718	1.6
143.08493	6.2
145.06416	1.4
145.10107	18.5
147.08052	9.4
147.11649	17.7
149.09589	13.5
149.13196	6.1
151.11143	2.9
153.09109	1.2
155.08545	3.2
157.06551	1.1
157.10104	7.7
159.08102	2.9
159.11659	9.5
161.09630	8.5
161.13246	4.3
163.11145	11.9
163.14714	1.4
165.08992	1.5
165.12732	6.8
167.08589	1.5
167.62718	1.1
169.10057	2.4
171.11647	4.6
173.09538	2.1
173.13173	5.2
175.11061	4.9
177.12718	2.5
179.14276	1.3
181.10040	2.3
183.11670	1.9
185.13246	3.3
187.11177	3.0
189.11143	1.9
189.12712	2.3
191.14418	1.1
193.12166	1.8
195.11737	2.5
195.13736	1.6
197.07260	3.1
197.13245	1.8
199.14738	1.4
205.12180	1.9
207.13670	1.2
213.16537	1.5
217.15720	1.2
223.13197	2.5
227.12679	1.5
227.17880	2.4
229.11693	1.1
229.19458	1.8
231.13765	1.1
239.18007	1.5
243.08530	1.8
245.15294	1.0
245.18921	2.9
247.20393	1.7
249.14923	1.9
255.17480	3.2
257.18958	4.4
267.16000	1.9
271.15317	2.6
273.18436	23.9
275.20010	49.4
291.16208	1.6
291.19485	25.4
293.21075	13.9
296.37494	1.0
306.40094	1.0
309.16125	3.7
319.35974	1.0
320.99390	1.0
327.17227	1.4
335.25943	1.2
346.22821	1.0
347.22028	11.6
349.23642	29.2
365.23166	6.3
367.24744	45.0
368.25266	1.5
383.19781	20.1
385.21701	1.2
400.51111	1.1
401.20850	43.4
402.21133	1.5
502.23392	1.2
531.36829	1.2
547.37256	1.3
553.37646	1.0
621.41412	9.7
639.42456	10.3
657.38513	19.0
675.40051	40.7
678.64545	1.1
693.41217	35.0
694.41388	1.4
832.02454	1.2
846.32214	1.3
889.48126	1.2
890.48511	15.1
891.46307	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	890.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
62.68979	1.9
65.03932	3.7
66.87366	1.6
67.05499	72.2
69.03419	5.9
69.07063	31.1
71.01328	1.7
71.04986	6.9
73.02905	3.7
79.05037	3.2
79.05486	57.8
81.03430	10.6
81.07050	100.0
83.04984	11.9
83.08620	36.8
85.02893	7.8
85.06529	3.8
91.03950	2.5
91.05473	61.7
93.07039	56.2
95.04959	31.7
95.08599	41.2
97.02893	7.1
97.06527	8.8
97.10143	10.2
97.94862	1.8
98.05025	2.1
99.04456	3.8
99.08056	2.9
105.04504	2.1
105.06341	3.0
105.07026	52.1
107.04955	22.6
107.07914	3.1
107.08585	41.2
109.06512	18.8
109.10148	35.5
111.04436	2.6
111.08086	9.9
113.05939	2.9
115.05416	3.4
117.07011	22.9
119.08571	43.4
121.06505	10.0
121.10145	24.6
123.08048	16.4
123.11670	7.1
125.09631	9.1
129.07016	12.3
131.08548	23.7
133.06500	2.6
133.10110	47.0
135.08028	8.8
135.11682	17.2
137.09587	7.7
139.11211	2.3
141.06938	2.6
143.08536	8.5
145.06493	3.6
145.10110	31.4
147.08043	10.1
147.11664	13.8
149.09622	28.8
149.13266	3.3
150.13956	1.9
151.11153	15.8
155.08521	3.6
157.10110	8.7
159.08078	3.7
159.11674	12.8
161.09599	9.8
161.13297	6.2
163.11169	29.1
165.09081	2.5
165.12750	3.3
169.10110	4.9
171.11697	8.1
173.09650	3.0
173.13252	7.7
175.11191	6.9
177.12753	3.2
181.10100	2.1
183.11696	4.3
185.13255	3.3
187.11111	3.4
187.14777	2.3
189.11200	5.2
189.12724	2.8
193.12260	2.0
195.11678	5.0
197.07271	2.9
199.11066	2.4
223.13156	3.9
227.12685	4.7
227.17860	2.6
229.19519	2.4
239.17999	5.9
245.19160	2.9
247.20572	2.8
253.14351	46.2
255.17358	4.4
257.18939	8.4
261.22119	5.9
271.15381	18.3
273.18481	25.9
275.20035	64.7
276.20300	2.2
291.19531	37.5
292.19510	2.0
293.21127	9.8
309.16028	3.4
335.22620	2.0
335.25818	19.5
347.22006	10.7
349.23721	46.0
365.23254	8.6
367.24731	28.1
383.19815	27.0
383.24445	3.2
385.21307	8.3
401.20880	45.2
402.20972	2.1
428.61951	2.0
457.33212	2.2
513.35901	4.1
531.36749	20.8
621.40967	8.9
639.42511	13.2
657.38745	15.6
675.40045	44.3
676.39813	3.4
693.41223	32.3
890.49060	47.4
891.47888	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	891.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
66.88829	0.8
67.05508	2.2
69.03421	2.3
71.45198	0.9
72.00170	0.9
73.02936	1.8
74.46022	0.8
79.05504	1.2
81.03388	4.4
81.07044	2.2
85.02917	3.8
91.03966	1.6
91.05472	2.1
93.07037	1.7
95.04977	2.2
97.02878	6.6
101.02380	1.1
105.03409	2.0
105.07044	2.1
107.08579	1.5
109.02861	1.5
119.08620	2.0
121.10173	1.8
127.03921	3.5
133.10202	1.4
157.10150	2.0
193.12292	1.9
207.49895	1.0
243.08528	2.4
247.94696	0.9
264.94025	1.0
283.15247	3.0
287.05618	1.5
347.09830	2.4
365.10541	1.4
386.64774	0.9
405.13742	4.0
420.44885	0.9
435.84268	1.0
469.20230	6.6
501.23080	6.1
512.00598	0.9
532.26086	1.0
631.26038	6.1
642.55115	1.1
663.27997	6.6
729.36829	2.0
801.34210	1.3
891.41809	100.0
892.42853	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	891.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77927	0.6
67.05491	4.8
69.03421	0.9
69.07056	1.7
71.04978	3.1
71.43718	0.8
73.02898	0.8
79.05471	3.6
81.03407	1.1
81.07050	4.3
84.03849	0.6
85.02898	1.4
91.03977	0.7
91.05476	2.7
93.07039	3.0
95.04973	1.2
95.08589	2.2
97.02874	1.7
97.06522	0.7
105.07031	2.5
107.04951	0.7
107.08599	2.3
109.06532	1.0
109.10147	1.5
117.07001	0.9
119.08550	1.3
121.10161	1.1
125.09594	0.8
127.03932	0.6
129.05508	0.7
131.08534	1.0
133.10112	1.7
134.10551	0.6
136.07542	0.7
184.07315	0.8
185.04337	0.8
193.12198	0.6
243.08406	0.8
255.09164	1.3
264.44394	0.7
273.10101	0.9
301.08972	0.6
349.16879	2.0
363.14758	1.0
366.23764	0.6
473.17056	1.1
532.37012	0.7
549.26300	1.4
567.24646	1.2
763.38776	1.0
765.38306	0.8
805.38428	1.0
845.40991	0.8
891.44934	100.0
892.44897	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	891.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	3.4
69.03412	1.7
69.07053	1.9
71.04993	2.7
73.02905	1.2
76.35493	0.6
79.05473	3.8
81.03410	0.8
81.07046	5.4
83.04982	0.9
83.08594	1.3
85.02900	1.9
91.03952	1.3
91.05470	3.5
93.07043	3.9
95.04956	2.0
95.08600	2.1
97.02878	1.9
97.06521	0.8
97.10170	0.9
98.22708	1.8
105.07011	2.3
107.04939	1.2
107.08598	2.4
109.06532	0.9
109.10152	1.8
111.08034	0.6
114.76328	0.5
116.94527	0.5
117.07027	0.7
119.08563	2.2
121.10126	1.5
123.08042	0.9
124.11198	0.6
127.03971	0.6
129.07031	0.6
131.08571	1.2
133.10103	1.5
135.11725	0.5
137.09612	0.5
143.08546	0.7
145.10123	1.4
147.11781	0.6
149.09581	0.7
163.11177	0.7
165.12749	0.9
194.15398	0.6
197.37892	0.6
198.05992	0.6
223.13245	0.7
227.12900	0.8
243.08443	1.3
255.08977	1.1
261.21878	0.6
273.83624	0.6
275.20087	0.7
291.19611	0.7
315.10434	0.5
349.16684	0.9
349.23605	0.9
351.25287	0.7
352.25629	0.6
363.14630	0.6
365.23166	0.7
473.17050	1.2
565.29358	1.1
567.26575	1.6
574.65558	0.6
581.23535	0.7
891.45050	100.0
892.44830	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	891.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17276	0.4
67.05490	3.1
67.53109	0.4
69.03422	1.0
69.07063	1.4
71.04993	0.5
73.02918	0.5
79.05469	2.5
81.03417	1.4
81.07049	4.4
82.07409	0.5
83.04983	0.8
83.08612	1.3
85.02901	0.8
85.10183	0.7
91.03953	0.5
91.05454	2.7
93.07028	2.5
95.04966	1.7
95.08606	1.6
97.02895	1.7
97.06507	0.9
97.10188	0.5
98.06851	0.5
101.02402	0.5
105.07040	2.0
107.04971	0.6
107.08597	1.2
109.06539	0.8
109.10165	1.5
111.08048	0.7
113.09648	1.4
117.06994	0.7
119.08569	1.5
121.06460	0.4
121.10152	1.1
125.09657	1.1
129.05499	0.5
131.08582	0.5
133.10104	0.7
135.08075	0.6
135.11696	0.9
140.07056	0.7
145.10146	1.0
147.08105	0.6
147.11693	0.4
149.01175	0.4
149.09644	0.5
159.23625	0.4
163.11165	0.8
165.12755	1.4
167.82747	0.4
193.12263	0.8
255.09032	2.2
267.83087	0.4
273.10153	0.7
273.18588	0.8
277.21729	0.8
278.21930	0.8
291.19501	0.6
295.22748	1.6
296.23038	1.3
301.09003	0.7
331.15875	1.1
349.16562	5.5
349.23499	0.5
351.25433	0.5
363.14722	0.8
376.84406	0.5
385.18658	0.5
389.23193	0.8
399.23773	0.6
400.24106	0.5
473.17221	1.9
473.98221	0.5
492.21436	0.5
514.27344	0.4
517.51611	0.5
549.26648	1.0
567.25739	0.9
581.23059	1.0
585.25891	1.1
623.15033	0.5
664.70117	0.6
694.46191	0.6
845.45648	1.3
873.44885	1.0
891.45172	100.0
892.45325	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	891.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	5.8
69.03426	2.7
69.07061	3.1
69.59560	0.6
71.04991	1.0
73.02903	2.9
79.05506	3.9
80.05801	0.5
81.03423	2.2
81.07045	6.0
83.01140	0.4
83.04986	1.0
83.08616	0.6
84.97108	0.6
85.02900	4.3
91.03954	2.6
91.05470	4.0
93.07034	3.4
95.04990	1.7
95.08592	2.5
95.20063	0.5
96.32452	0.6
97.02888	3.3
97.06550	0.6
97.10172	1.6
101.02388	1.4
103.03968	0.6
105.07045	2.4
107.04965	0.8
107.08607	2.2
109.02875	1.2
109.06531	1.3
109.10146	1.0
111.04453	1.0
111.08077	1.0
115.05383	0.6
117.07014	1.1
119.08546	2.7
121.10154	1.2
123.07994	1.2
123.11732	0.6
125.09651	1.4
127.03934	1.5
129.05522	1.2
131.08604	1.5
133.06520	0.9
133.10126	1.5
135.11684	1.1
137.69798	0.5
145.10139	1.0
147.08165	0.6
147.11726	0.6
149.09657	1.5
153.12782	0.9
157.10216	0.7
159.11731	0.7
163.07565	0.6
163.11206	1.4
175.11176	0.7
181.04758	0.9
185.04187	3.6
189.11095	0.5
194.26717	0.5
201.03835	1.2
203.05362	1.1
221.07167	0.5
237.07590	0.7
241.06842	0.7
243.08391	4.0
273.18500	0.5
291.19479	0.8
301.08890	8.5
313.09061	0.7
315.10660	2.9
327.10281	0.7
331.18814	1.5
341.12408	0.7
349.19989	3.0
357.15308	0.8
369.15323	1.2
371.16870	1.1
373.11240	1.4
375.21582	0.8
383.17050	1.5
385.00290	0.6
385.18237	5.1
387.13004	0.7
405.22476	1.2
425.17548	0.7
429.17227	0.9
439.19366	1.8
443.18939	1.1
447.23590	0.7
451.19916	0.7
457.20483	1.1
469.20578	1.9
485.19894	3.1
493.24338	1.1
497.20029	1.0
499.21268	1.0
502.19431	0.5
507.06348	0.6
511.20874	0.8
531.32886	0.8
549.26666	1.6
557.21832	1.7
565.25934	3.0
567.27740	6.4
569.29333	2.0
583.31207	1.4
608.28143	1.0
639.29810	3.5
641.31616	2.8
653.31323	1.0
667.33191	0.9
692.36902	1.2
709.37476	1.2
710.38354	1.1
805.40002	0.7
845.43506	1.6
873.46490	1.9
874.45679	0.8
891.47186	100.0
892.47437	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	891.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
66.85191	0.9
67.05511	5.2
69.03415	2.5
69.07067	2.9
71.04993	1.7
73.02911	3.4
77.98856	1.0
79.05519	4.6
80.45302	1.0
81.03410	2.2
81.07055	6.1
83.04965	1.6
83.08622	2.0
85.02905	3.2
91.03966	2.1
91.05485	3.9
93.07033	3.2
95.04963	2.0
95.08624	1.4
97.02879	4.3
97.10162	1.2
105.07044	2.1
106.07331	0.9
107.08620	3.0
109.06505	1.6
109.10181	1.6
117.07037	1.2
119.08578	2.3
121.06516	1.3
121.10095	1.1
127.03960	1.2
129.05479	1.0
131.08542	1.5
149.02347	1.5
149.09625	0.9
179.20024	0.9
181.73886	0.9
185.04218	2.2
193.05067	1.9
193.43098	0.9
201.03783	2.0
215.09094	1.0
237.07654	1.2
241.06836	1.2
243.08513	3.8
249.73293	1.0
265.72916	1.0
273.75226	1.0
301.08893	6.9
309.10284	1.1
313.08746	1.1
315.10294	1.6
327.10611	1.1
331.18790	2.4
349.19855	1.6
369.15433	1.0
373.11179	2.8
385.18457	4.4
387.21579	1.2
429.17252	1.1
443.19064	1.2
447.23532	1.5
485.19983	0.9
499.21582	1.6
531.33289	1.0
549.26611	6.8
565.26038	1.9
567.27814	3.9
608.28143	1.2
621.28589	1.2
639.30255	1.1
649.31909	1.4
692.37201	2.1
733.37891	2.3
845.43018	2.0
873.45978	2.7
891.47198	100.0
892.47089	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	891.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	0.3
67.05490	2.6
69.03418	2.9
69.07064	2.6
71.01360	0.5
71.04981	0.4
73.02917	2.3
79.05479	3.1
81.03417	1.9
81.07050	4.1
82.84235	0.2
83.04976	1.0
83.08600	1.3
85.02894	3.0
87.04504	0.3
91.03938	1.9
91.05461	2.0
93.07040	2.2
93.44234	0.2
95.04947	1.4
95.08607	1.0
97.02874	2.8
97.06516	0.4
97.10157	1.6
101.02390	1.1
105.07012	1.6
106.26814	0.2
107.04965	0.5
107.08575	1.7
109.02889	0.8
109.06495	0.6
109.10162	0.7
110.72733	0.3
111.04460	0.8
111.08092	0.5
117.07017	1.1
119.08585	1.1
121.06535	0.4
121.10127	0.6
123.08080	0.7
125.09634	1.1
127.03933	1.2
129.05478	0.4
129.06979	0.3
131.08575	0.6
133.10147	1.0
135.08076	0.7
135.11662	0.6
137.09570	0.4
143.08528	0.3
145.06485	0.3
145.10136	0.7
147.08104	0.4
147.11751	0.3
149.09552	0.4
151.11131	0.3
153.09093	0.3
161.09637	0.6
163.07556	0.3
163.11267	0.6
177.12753	0.3
185.04303	1.0
189.11185	0.4
193.12332	0.4
201.03796	0.3
203.05382	0.5
221.11717	0.3
227.12898	0.3
243.08330	5.0
291.19589	0.3
301.08786	1.8
313.08917	0.5
315.10605	0.4
317.13818	0.3
347.18149	0.7
349.19763	2.4
368.83057	0.3
369.15341	0.9
371.16763	0.4
373.10873	0.4
383.16797	0.7
385.18314	0.5
403.20654	0.3
405.22684	0.6
439.19647	0.6
447.24768	0.3
451.20096	0.4
457.20242	0.2
467.18842	0.7
479.18515	0.6
481.52591	0.4
495.18332	0.4
497.20105	0.5
565.26056	5.5
567.27649	4.9
637.28296	0.8
695.36469	0.4
775.39429	0.3
793.39923	0.4
833.21021	0.3
891.46918	100.0
892.47144	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	892.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.0
66.04729	2.2
67.05492	76.9
68.06274	2.6
68.48592	1.9
69.03409	9.8
69.07059	52.7
69.20201	10.2
71.01341	6.7
71.04991	10.6
71.08654	2.1
73.02898	7.1
77.03894	2.2
79.05479	77.2
80.06261	2.6
81.03401	23.2
81.07043	100.0
81.17937	2.0
83.04967	16.5
83.08589	15.0
85.02898	4.7
85.06532	5.2
91.03933	1.7
91.05461	62.8
92.06282	2.5
93.07029	54.1
95.01327	3.9
95.04954	35.2
95.05532	3.1
95.08588	28.4
96.05763	3.2
97.02878	27.3
97.06509	22.5
97.10145	14.8
99.04443	1.8
99.08064	8.4
103.03951	2.0
103.05453	2.2
105.04486	4.1
105.07005	33.5
107.04938	26.8
107.08575	32.3
109.02871	6.7
109.06499	31.5
109.10139	29.8
110.07109	1.7
111.04433	8.4
111.08085	8.8
113.05986	3.4
115.05456	4.7
115.07539	4.3
116.04702	5.6
117.06995	21.2
119.04957	3.5
119.06031	2.6
119.08565	37.7
121.06510	13.1
121.10122	15.1
122.07292	3.4
123.04413	9.6
123.08044	12.7
123.11629	1.6
125.05982	5.3
125.09605	17.7
127.03885	2.3
127.07544	5.0
128.06216	3.3
129.05461	44.5
129.06921	11.4
131.04955	2.7
131.08551	17.4
131.80652	1.8
132.05707	2.2
133.06459	11.7
133.10138	14.0
135.08031	34.3
135.11633	9.6
136.08731	1.9
137.05984	3.3
137.09593	32.2
139.07539	3.9
139.11172	2.4
141.06918	2.2
142.07704	2.7
143.07002	21.5
143.08545	6.3
145.06483	7.2
145.08582	3.2
145.10110	10.2
147.08023	24.3
147.11649	8.0
149.06027	1.8
149.09570	18.2
151.07536	7.7
151.11140	2.5
152.08333	3.0
153.09074	13.5
155.08514	4.7
155.10681	4.0
157.08580	7.4
157.10138	6.6
159.08067	5.8
159.11697	5.5
161.08192	4.0
161.09630	19.9
163.07536	5.2
163.11110	10.0
165.09109	12.6
165.12749	2.9
167.10643	3.4
169.10016	2.4
171.07961	1.8
171.10161	6.9
171.11604	3.7
173.09622	5.8
173.11737	6.1
173.13216	3.2
175.07547	2.5
175.11143	9.1
177.05423	1.6
177.09061	5.9
177.12799	3.3
179.10634	3.5
181.08598	2.9
183.10179	2.6
183.11682	2.0
185.11734	2.1
185.13251	4.0
187.11267	1.8
187.14781	2.5
189.09279	2.4
189.11198	7.4
189.12770	3.8
191.10654	4.4
193.08556	4.5
193.10651	1.6
193.12270	7.6
197.13362	1.7
199.09689	3.9
199.13199	2.7
199.14868	3.0
201.11157	9.2
201.12930	2.4
203.10641	4.0
207.10106	3.0
211.09624	6.0
215.10506	2.4
215.14377	3.8
217.15883	5.1
221.11703	4.6
227.12717	5.6
229.14275	11.4
239.12648	3.0
243.13870	3.6
245.15376	26.3
245.18005	1.8
245.19012	2.6
255.17628	2.2
261.14810	6.6
263.16394	6.3
267.12201	2.2
267.16232	1.8
271.17087	3.1
272.18127	1.9
273.18484	17.0
279.15805	2.7
289.17926	7.6
291.19504	12.4
295.15472	2.6
307.19193	2.3
319.19003	7.5
337.20111	16.1
337.23825	2.5
347.22256	8.1
353.19449	5.2
359.02774	1.7
365.23108	12.6
371.20584	39.9
381.22723	4.7
399.23785	24.0
439.23148	12.4
444.30038	1.7
491.29752	6.3
513.32159	2.3
525.30542	4.4
609.37775	4.7
627.38342	8.9
643.38348	5.2
661.39142	15.7
695.39917	25.8
874.49377	1.9
892.46643	10.5
893.47363	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	893.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	4.7
69.03420	2.8
69.07053	1.9
70.07384	0.4
71.04974	1.3
73.02901	2.4
76.81159	0.4
77.03498	0.4
79.05486	4.5
81.03406	1.8
81.07044	10.9
83.04937	1.9
83.08595	1.2
85.02901	3.5
87.04436	0.4
91.03938	1.4
91.05467	4.0
91.23978	0.4
93.07028	4.2
95.04948	2.9
95.08575	2.5
96.05286	0.4
97.02887	3.1
97.06513	0.8
97.10148	0.7
98.22633	1.0
99.04449	1.3
101.02357	1.4
105.07009	4.0
107.04948	1.2
107.08591	2.9
108.09702	0.3
109.06520	2.5
109.10153	1.4
111.04420	1.9
111.08059	0.6
112.07571	1.1
113.06001	1.1
117.06998	1.4
119.08591	2.9
121.06508	0.8
121.10126	1.9
123.04433	0.4
123.08095	1.9
123.11715	0.6
125.09635	0.4
127.03842	0.8
129.06984	1.0
130.83904	0.4
131.08565	1.5
133.06517	0.6
133.10109	1.7
135.08051	0.9
135.11710	1.2
137.09654	0.8
143.08542	0.8
145.10097	1.5
147.08026	1.1
147.11606	0.7
149.09583	0.9
151.58411	0.4
153.12799	0.6
157.10071	0.4
159.11635	0.6
161.09610	0.7
163.11113	0.9
165.09052	0.5
177.12608	0.7
181.12184	0.4
185.04172	0.5
185.13358	0.4
201.03680	0.5
203.05290	0.6
223.11082	0.4
224.12947	0.5
243.08344	1.9
253.14278	0.9
254.14841	0.6
273.18481	1.0
275.19977	0.6
301.08963	0.6
301.17685	0.6
331.18695	2.4
387.21640	0.9
412.21786	0.4
513.67480	0.4
549.26697	8.4
550.26825	0.5
551.27856	1.0
553.27936	0.5
585.24042	2.4
625.30322	0.7
807.39246	1.7
847.42212	0.6
857.45563	1.3
875.46033	0.7
892.50171	1.7
893.43964	100.0
894.44305	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	893.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	5.7
69.03424	2.8
69.07056	2.3
69.15242	1.7
69.15646	4.1
72.35300	0.7
73.02908	3.1
73.14448	0.8
79.05489	4.9
81.03400	2.1
81.07045	6.7
83.04967	1.1
83.08612	2.9
85.02912	3.5
91.03944	3.0
91.05469	4.2
93.07033	4.9
95.04968	3.0
95.08599	2.8
97.02886	3.6
97.06526	0.8
98.23440	1.5
99.04430	0.7
103.38544	0.8
105.07015	2.9
107.04939	1.2
107.08612	3.0
109.10157	1.3
117.07035	2.0
119.08595	2.5
121.06517	1.6
121.10126	1.9
131.08597	2.0
133.10100	1.9
135.08064	2.5
135.11662	1.0
145.10136	1.7
161.09590	1.0
161.30527	0.8
163.11305	1.4
199.58228	0.8
243.08414	2.8
275.20261	0.9
291.19800	0.9
310.12811	0.9
325.26999	0.9
333.20273	2.4
335.47678	0.8
345.47745	0.9
371.16122	1.0
385.18356	1.0
407.40051	0.8
547.25531	2.5
551.28198	5.1
583.22998	3.3
768.14386	1.1
893.43958	100.0
894.44244	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	893.442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.5
67.58245	0.5
69.03434	1.8
69.07063	1.8
70.96269	0.5
71.04996	0.7
73.02920	1.8
74.62449	0.5
79.05484	3.4
81.03427	1.1
81.07045	4.3
83.04963	1.2
83.08617	1.4
85.02903	2.8
86.06094	0.7
87.04464	0.5
91.03949	1.4
91.05470	3.0
93.07041	2.2
94.85014	0.6
95.04960	2.5
95.08609	1.9
97.02878	3.0
97.06550	0.8
97.10151	0.9
98.23459	1.6
99.04453	1.3
101.02369	1.1
105.07031	1.7
107.04968	1.0
107.08577	2.6
109.06539	0.9
109.10154	1.3
111.04445	0.6
117.07014	1.0
119.08589	1.7
121.06508	0.7
121.10160	1.2
123.08051	0.9
125.09592	0.5
127.03909	0.8
131.08591	1.7
133.10149	1.1
135.08090	1.5
135.11673	0.6
137.09660	0.6
145.10136	0.8
147.11725	0.5
149.09647	1.3
161.09581	0.6
163.11188	1.2
172.31709	0.5
243.08409	3.2
275.20193	0.9
294.37744	0.5
333.20367	1.3
385.19693	0.6
418.48788	0.5
547.25427	1.7
549.27081	1.0
551.28247	5.3
583.22839	3.3
635.99188	0.5
723.38953	1.2
778.05554	0.6
833.53326	0.6
857.46570	1.1
893.43927	100.0
894.44525	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	893.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.5
69.03436	3.4
69.07072	2.4
69.60947	0.7
70.09331	0.7
71.04978	0.8
73.02916	3.3
78.34589	0.7
79.05492	4.0
81.03440	2.0
81.07055	6.9
83.08627	0.9
85.02895	4.8
91.03968	2.3
91.05477	3.0
93.07040	3.9
95.04985	2.2
95.08610	2.8
97.02885	3.7
97.06567	1.2
99.04426	1.0
101.02367	2.1
105.07034	2.9
107.04975	1.2
107.08613	3.1
109.06534	1.4
109.10199	1.3
110.14985	0.7
114.62943	0.7
117.07028	1.1
119.08586	2.7
121.10147	1.9
123.08060	1.2
127.03808	0.8
133.10124	2.0
135.08070	1.6
135.11700	0.9
137.09613	1.1
147.11772	0.9
150.62360	1.0
161.09642	1.1
243.08385	4.2
275.19897	0.8
318.64960	0.9
333.20624	1.7
335.11551	0.8
393.55045	0.8
465.37930	0.9
547.25153	2.3
549.27191	1.2
551.28192	4.7
577.65082	0.8
583.22852	2.7
585.23840	1.4
678.41492	0.8
857.45605	1.2
875.42401	1.7
891.45764	1.0
893.43939	100.0
894.44275	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	893.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.5
69.03429	0.7
69.07066	0.6
71.04994	0.3
72.25726	0.3
73.02910	0.5
79.05503	1.0
81.03394	0.4
81.07056	1.2
83.08585	0.4
85.02903	0.7
91.05450	1.4
93.07027	0.9
93.08269	0.3
95.04971	0.6
95.08610	0.4
97.02896	0.5
101.02413	0.5
105.07042	0.8
105.56678	0.3
107.08589	0.9
109.10148	0.3
116.04279	0.3
117.06991	0.4
119.08635	0.5
121.06501	0.3
121.10121	0.4
125.09641	0.4
131.08600	0.4
133.10114	0.5
137.46796	0.3
145.10207	0.3
149.02399	0.4
178.83713	0.3
183.76508	0.3
217.07573	0.3
230.89464	0.3
243.08759	0.8
255.09038	0.5
273.18530	0.3
292.86819	0.3
301.08972	0.3
312.99420	0.3
324.89999	0.3
331.15866	0.7
333.20514	0.3
347.15344	0.4
349.16742	3.1
365.16321	0.4
396.78415	0.3
551.28522	0.6
567.25629	0.7
569.29510	0.6
583.25049	1.0
585.25952	0.8
812.30084	0.4
875.48322	0.4
893.46643	100.0
894.46796	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	893.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.5
69.03410	1.6
69.07049	2.1
69.10264	2.8
69.10667	1.2
71.04982	1.2
73.02918	2.2
74.29195	0.5
79.05484	2.8
79.47529	0.5
81.03397	1.4
81.07052	3.8
83.04993	0.9
83.08625	0.6
85.02888	3.3
91.03958	1.0
91.05472	2.9
91.07713	0.4
93.07042	2.9
95.04965	1.0
95.08614	1.6
97.02871	3.1
97.06522	1.1
97.10181	0.7
101.02396	1.2
103.09431	0.5
105.07053	1.1
107.04948	0.7
107.08609	2.0
109.10175	1.3
117.07064	1.1
119.08566	1.3
121.10163	1.0
125.09624	0.7
127.03891	0.6
131.08565	1.0
133.10127	1.4
134.14305	0.5
135.11665	0.9
145.10226	1.0
149.01193	0.8
171.11787	0.6
243.08398	2.5
255.09189	1.0
267.08878	0.6
301.08957	1.1
333.20224	1.3
347.15659	0.6
349.16855	2.0
365.16556	1.0
367.18082	0.8
373.11026	0.7
439.19666	0.8
473.17252	0.7
551.28174	5.0
567.25848	1.7
583.30798	2.4
585.25818	0.8
714.94928	0.6
765.39923	0.8
811.52155	0.6
875.47192	0.8
893.48529	100.0
894.48761	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	893.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.9
67.19176	0.4
69.03416	2.5
69.07062	1.9
69.61124	0.4
71.04996	1.4
71.30816	0.4
71.75549	0.4
73.02917	2.9
79.05483	4.3
81.03413	1.5
81.07050	5.9
83.04967	0.5
83.08601	1.1
85.02888	4.7
91.03950	2.0
91.05473	2.5
91.44755	0.4
93.07027	3.3
94.80111	0.4
95.04961	1.6
95.08613	1.8
96.10632	0.4
97.02872	3.4
97.06516	0.5
97.10170	0.9
98.97633	0.5
99.04468	0.5
101.02377	1.2
105.07005	2.0
107.04977	0.4
107.08619	1.5
109.06479	0.7
109.10162	0.9
117.07014	0.8
119.08615	1.2
121.10145	1.0
123.04264	0.4
125.09592	0.5
127.03904	1.0
129.05478	1.1
131.08505	1.0
133.10136	1.0
135.08066	0.5
135.11705	0.6
145.10104	1.0
147.08142	0.4
147.11732	0.7
149.09641	0.9
155.07240	0.4
159.11601	0.6
161.20177	0.4
163.11246	0.5
185.04269	1.8
197.71782	0.4
203.05399	0.8
243.08414	3.6
255.09155	0.5
259.08136	0.6
301.08942	4.6
315.10580	1.9
333.20258	3.0
349.16803	0.6
355.14032	0.6
359.21973	1.0
360.10159	0.4
365.16284	0.5
365.23151	0.8
369.15033	0.6
371.16916	0.6
373.11069	2.9
385.18320	2.8
387.12946	0.6
389.23428	0.4
423.20065	1.6
429.17599	0.6
431.24152	0.8
439.19830	0.7
443.19574	0.6
453.20920	0.8
455.19098	0.6
457.20654	1.2
469.20529	1.9
477.24466	0.5
481.20453	0.9
483.22095	2.7
497.42239	0.5
537.26672	0.5
542.23267	0.9
551.28162	8.9
553.29950	0.8
567.31366	0.8
583.31824	2.4
610.29736	2.0
623.29913	2.6
625.31677	0.5
626.32825	0.7
637.32526	0.9
651.33881	0.7
693.37860	0.8
694.38959	1.3
735.39001	1.7
777.40228	0.7
807.40826	0.5
875.47296	1.4
893.49084	100.0
894.49255	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	893.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65704	0.4
66.82603	0.4
67.05495	3.6
67.05824	0.6
69.03423	2.3
69.07074	2.8
71.04984	1.1
73.02903	3.3
77.15463	0.5
79.05486	3.5
79.79869	0.4
81.03419	1.3
81.07050	5.3
83.04974	0.9
83.08609	0.9
85.01449	0.5
85.02888	4.7
85.06625	0.4
91.03464	0.5
91.03943	2.9
91.05479	2.5
93.07023	3.2
95.04964	0.8
95.08615	1.3
97.02881	3.3
97.06509	0.5
99.04426	0.8
101.02367	1.6
105.07040	1.8
106.00762	0.5
107.04936	0.4
107.08593	1.6
109.02864	0.8
109.06528	0.6
109.10153	1.3
111.08096	0.5
119.08578	1.0
121.10126	1.0
125.09673	0.5
127.03910	1.1
129.05516	0.9
129.07080	0.5
131.08585	1.0
132.08900	0.5
133.10115	1.4
143.08531	0.4
147.11674	1.0
149.02341	0.8
149.09665	0.4
151.11191	0.5
159.11703	0.6
185.04175	2.0
201.03680	0.8
243.08366	3.4
259.07980	0.6
259.44531	0.4
290.99100	0.4
301.08875	6.2
301.11905	0.7
313.08936	0.5
315.10651	1.4
333.20343	3.7
341.12106	0.8
349.16818	0.9
357.15482	0.9
359.21884	1.1
365.23132	1.1
369.15079	0.8
371.16757	1.1
373.10995	2.8
373.23352	0.5
385.18225	3.1
389.23077	0.9
413.18839	0.5
423.19760	0.8
429.17300	1.1
431.23849	1.0
453.21063	0.9
455.19000	0.8
457.20731	1.1
469.20456	2.0
477.24820	0.8
481.20511	0.9
483.21881	2.9
514.81360	0.6
515.33765	1.3
542.23431	1.1
551.28131	9.0
553.29913	0.7
567.31940	0.8
583.16821	0.5
583.30682	1.8
610.29889	1.6
617.70490	0.5
623.29993	3.7
626.32861	1.1
634.53656	0.5
637.32056	0.8
651.33301	0.9
665.34747	0.6
693.38037	1.2
694.38861	2.4
735.39502	2.3
749.40973	0.7
757.42328	0.6
807.41119	0.8
875.47180	1.6
887.96802	0.5
893.48773	100.0
894.48517	7.2
913.71008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60632	0.2
63.99741	0.3
64.94933	0.2
67.05493	2.8
67.65202	0.3
69.03415	2.5
69.07055	2.8
69.98512	0.4
69.98855	0.6
70.96723	0.3
71.01340	0.3
71.04990	0.4
73.02899	2.4
75.26327	0.3
79.05471	2.4
81.03414	1.7
81.07044	3.3
83.04986	1.0
83.08611	1.1
85.02889	2.9
85.06574	0.4
91.03952	1.6
91.05472	1.9
93.07037	2.1
95.04975	1.1
95.08588	1.8
96.34064	0.3
97.02890	2.5
97.06532	0.7
97.10161	1.7
99.04456	0.6
99.76974	0.3
101.02382	1.1
103.03957	0.3
105.07021	1.3
107.04958	0.6
107.08590	1.8
107.82767	0.3
109.02893	0.6
109.06527	0.3
109.10167	0.8
111.04452	0.9
115.03937	0.3
117.07034	0.6
119.08552	1.3
119.13466	0.3
121.06489	0.5
121.10137	1.0
123.08067	1.5
125.09625	1.8
127.03896	0.8
129.05463	0.4
129.06985	0.3
131.08557	0.6
133.10110	0.4
135.08038	0.6
135.11702	0.7
137.09608	0.4
138.25952	0.3
145.10172	0.8
147.08031	0.3
147.11728	0.5
149.09610	0.4
153.12762	0.3
157.10063	0.5
159.11765	0.3
163.11200	1.1
181.12300	0.4
185.02846	0.3
185.04260	1.1
189.11206	0.5
201.03757	0.7
241.06807	0.4
243.08365	3.3
243.10506	0.3
259.07724	0.4
291.19711	0.6
301.06061	0.3
301.08813	1.6
313.08997	0.8
315.10681	0.8
319.15057	0.3
319.18793	0.4
327.10651	0.3
349.19809	3.9
369.15298	0.6
371.16959	0.5
373.11292	0.3
383.16922	0.9
385.18509	0.6
405.22366	1.4
443.19357	0.3
447.23596	0.3
451.19449	0.8
497.20026	0.9
503.29581	0.3
512.66772	0.3
567.27655	12.3
568.28259	0.5
639.29181	1.8
667.32727	0.3
709.37628	0.9
769.77148	0.3
777.40277	1.1
823.41193	0.4
893.48499	100.0
894.48792	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	893.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.7
67.40057	0.5
69.03432	1.9
69.07069	2.2
70.74519	0.7
73.02921	1.9
79.05481	3.5
81.03412	2.2
81.07061	3.6
83.04977	1.1
85.02905	3.6
91.03977	1.3
91.05481	2.6
93.07047	2.6
95.04969	1.9
95.08622	2.5
97.02876	3.1
97.10191	0.9
101.02389	1.1
104.82555	0.7
105.07041	1.8
107.04948	0.6
107.08599	2.1
109.10103	0.8
117.07011	1.0
119.08589	1.5
121.10165	1.2
123.08063	1.3
125.09632	0.8
127.03918	1.0
129.07027	0.6
131.08539	1.1
133.10167	1.1
135.11690	1.3
137.05807	0.6
137.09605	0.7
142.70309	0.8
147.11760	1.0
149.09645	1.0
173.40669	0.8
243.08366	3.0
251.12607	0.9
260.68066	0.6
301.08984	0.9
315.10443	0.7
334.44183	0.6
349.19958	3.3
358.94815	0.8
405.22672	0.9
439.19525	2.4
469.20697	2.8
497.19919	0.9
567.27649	7.4
708.74884	0.7
724.61090	0.7
795.41266	1.7
893.48499	100.0
894.48846	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	893.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70090	0.3
67.05499	3.3
69.03413	2.4
69.07054	2.5
71.05000	0.9
73.02905	2.3
79.05479	3.5
81.03410	2.0
81.07040	4.5
81.07478	0.4
83.04990	0.9
83.08624	0.7
85.02897	3.6
85.06549	0.4
91.03922	1.6
91.05466	2.4
93.07045	1.9
95.04985	1.2
95.08594	1.8
97.02866	2.9
97.06529	0.5
97.10165	1.1
98.23437	1.1
99.04483	0.8
101.02353	1.7
103.03999	0.3
105.07021	1.7
107.04925	0.6
107.08585	1.9
109.02869	0.5
109.06541	0.8
109.10172	1.3
111.04447	0.5
111.08101	0.5
117.07040	1.2
119.08579	1.6
121.06527	0.6
121.10146	1.2
123.08086	0.9
125.09656	0.9
127.03917	0.8
129.07001	0.3
131.08553	0.7
133.10139	1.0
135.08046	0.3
135.11731	1.2
137.13246	0.3
143.08536	0.3
145.10175	0.9
147.11685	0.7
147.14639	0.3
149.09587	0.7
149.13298	0.3
151.11261	0.4
157.10222	0.6
161.09525	0.3
161.33931	0.3
163.11162	0.6
173.09610	0.4
175.11186	0.5
180.38004	0.3
181.12352	0.5
185.04317	0.8
199.02638	0.3
203.05208	0.5
220.55629	0.3
221.11476	0.5
227.12874	0.3
235.44276	0.3
243.08377	3.8
251.12717	0.6
273.18460	0.5
291.19580	0.4
301.09070	1.1
313.09113	0.5
315.10501	0.7
319.15469	0.3
319.18900	0.4
349.19833	4.3
357.15375	0.4
369.15277	0.6
371.17120	0.5
373.11453	0.3
389.23227	0.4
405.22684	0.8
439.19406	3.2
451.18753	0.5
469.20456	4.2
481.20911	0.6
497.20181	0.8
511.21848	0.6
518.67242	0.3
567.27679	8.2
639.29626	0.8
684.86353	0.3
765.39374	1.6
775.23492	0.3
779.22095	0.3
795.41193	1.8
893.48468	100.0
894.48694	7.7
894.65472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.9
69.03431	1.8
69.07057	1.2
69.83042	1.0
73.02908	2.4
79.05499	2.1
81.03419	1.5
81.07050	2.4
83.04970	0.9
85.02888	4.2
91.03958	2.7
91.05483	1.8
93.07066	2.1
95.04391	0.5
95.04988	1.4
95.08588	1.1
97.02869	3.2
99.04477	1.1
101.02378	1.3
105.03168	0.5
105.07027	1.1
107.04945	0.7
107.08595	1.5
109.02898	0.5
109.10144	0.7
109.77143	0.5
119.08597	1.0
121.10162	1.3
123.08034	0.6
127.03934	1.1
129.05518	1.6
131.08592	0.5
133.10141	0.8
135.11714	0.9
145.10104	1.3
149.09589	1.3
163.11214	0.9
181.04706	1.2
184.32150	0.5
185.04185	4.5
199.05756	1.1
201.03790	1.7
203.05266	1.0
208.67064	0.5
223.13293	0.9
227.05377	0.7
241.06845	0.7
241.91710	0.4
243.08342	5.0
259.07785	1.2
265.14124	1.2
301.08878	16.4
313.08911	1.3
315.10455	3.2
327.10492	0.6
329.12100	0.7
333.20282	4.4
341.12103	1.4
343.13715	1.2
350.61441	0.5
355.13766	1.2
357.15442	1.3
359.22037	1.0
360.10428	0.8
371.16837	2.2
373.10931	4.7
373.14719	0.5
373.23621	1.6
383.16803	1.9
385.18298	10.1
387.12265	0.7
389.23044	1.6
401.14243	0.8
413.17624	0.8
415.15594	1.1
425.17929	1.4
429.17728	0.9
431.24103	3.0
439.19202	0.7
443.18842	2.4
444.19385	2.8
457.20624	1.8
477.24927	1.5
481.20407	2.9
485.19711	7.9
499.21289	3.1
509.19608	0.7
515.33319	2.9
541.22394	5.8
551.28186	14.4
555.26788	0.6
561.34186	1.4
567.26251	1.7
569.29242	4.6
583.30621	1.5
593.29480	0.9
610.29858	1.8
623.30273	8.1
625.32220	4.1
637.32031	2.0
651.33191	2.6
665.35345	1.6
674.48364	0.6
679.35962	0.8
693.38373	2.2
694.39038	2.5
711.38983	1.5
723.39447	0.7
735.38855	6.2
777.40387	1.2
807.40894	2.9
875.47412	2.2
893.48480	100.0
894.48987	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	893.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14408	0.4
65.03931	0.5
67.05493	5.8
69.03416	3.3
69.07063	2.9
69.07407	1.9
69.07817	1.0
70.06571	0.7
71.01350	0.7
71.04981	0.5
71.44132	0.4
73.02893	3.0
79.05476	4.9
81.03412	2.0
81.07043	5.6
83.04990	1.2
83.08599	2.1
85.02895	6.4
87.04436	0.5
91.03940	3.6
91.05460	3.4
93.07023	4.2
93.07534	0.6
95.04965	2.6
95.08587	2.8
97.02879	5.7
97.06561	1.0
97.10196	0.5
98.22680	0.7
99.04462	1.0
101.02382	2.1
102.19064	0.4
103.03947	0.4
105.07008	2.8
107.04984	1.2
107.08572	2.7
108.08982	0.5
109.02882	1.4
109.06525	1.1
109.10175	2.1
111.08077	0.7
117.05466	0.7
117.07029	1.2
119.08551	2.3
121.06505	0.5
121.10159	1.7
123.04464	0.5
123.08112	0.6
125.09686	1.2
126.16357	0.5
127.03892	2.0
127.11221	0.8
127.84599	0.4
129.05489	1.8
131.08560	2.2
133.06512	0.7
133.10080	2.1
134.88861	0.4
135.08028	0.9
135.11652	2.1
137.09634	0.7
143.08617	0.6
145.05029	0.6
145.10146	1.6
147.08029	0.5
149.02274	2.1
149.09621	1.5
151.11183	0.7
159.11723	0.7
163.11208	1.1
167.10730	0.5
181.04723	0.6
183.19896	0.4
185.04201	3.4
193.04913	0.7
193.12206	0.5
201.03723	1.0
203.05208	0.6
205.12230	0.5
215.14433	0.5
221.11540	0.5
223.13333	0.4
241.06935	0.6
243.08432	4.3
251.12552	1.0
255.15958	0.5
259.07846	0.6
263.12616	0.8
265.14145	0.4
275.20193	1.0
300.29034	0.7
301.08881	11.7
312.56400	0.4
313.09024	0.8
315.10449	3.1
317.08633	0.6
319.15475	0.4
327.10635	0.8
329.12140	0.8
333.20361	4.7
341.12231	1.3
343.13580	0.7
354.20114	0.5
355.13751	1.2
357.15237	1.4
359.21802	2.3
365.23035	0.5
369.15210	1.3
371.12561	0.4
371.16922	1.8
373.10925	4.2
373.23703	1.0
377.63171	0.5
385.18317	8.0
387.12857	0.8
389.22977	1.4
413.17819	0.8
415.15994	0.8
429.17578	1.9
431.24081	1.7
439.19427	3.8
443.19000	0.6
449.25287	1.8
457.20724	1.5
469.20587	2.1
477.24380	2.6
481.20337	4.9
483.21805	0.8
499.21292	6.7
513.26825	0.7
515.33478	0.9
533.27026	0.9
533.34857	0.7
534.78583	0.5
541.22412	6.7
542.23340	0.6
551.28308	13.3
552.28613	0.7
553.30157	0.5
561.34143	1.2
567.27936	1.3
583.31085	2.7
593.29260	1.1
597.29926	0.5
610.29749	3.7
622.37415	0.9
623.30176	5.9
625.31909	6.2
626.32727	0.8
637.31494	2.0
651.33466	2.2
654.05560	0.5
665.35022	1.7
666.35950	0.5
679.36340	0.8
693.37457	2.0
694.38751	3.1
695.35431	0.6
696.36084	0.8
707.39368	0.5
711.38849	0.8
723.39240	1.1
735.39056	5.5
749.40698	0.5
751.66559	0.5
777.39911	0.5
807.41174	1.5
808.40997	0.5
875.46954	2.5
892.50244	0.8
893.48724	100.0
894.48505	5.2
899.64673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.3
69.03426	2.0
69.07059	1.2
71.01345	0.8
71.04990	0.6
73.02901	2.2
79.05476	2.8
80.92239	0.4
81.03417	1.5
81.07048	3.6
83.01153	0.4
83.08626	1.2
85.02898	4.2
87.04504	0.4
88.33514	0.4
91.03953	2.6
91.05495	1.3
93.07052	1.4
95.04972	0.8
95.08603	1.5
95.17310	0.5
97.02872	3.4
97.06499	0.7
99.04466	0.6
101.02402	1.2
105.07039	1.5
107.08627	1.4
109.02827	0.4
109.06538	0.6
109.10168	0.9
117.05508	0.5
119.08604	1.2
121.10138	1.4
123.04196	0.8
124.44203	0.6
126.33360	0.4
127.03925	1.5
129.05455	2.0
133.10181	1.1
145.04985	0.6
145.10153	0.5
147.11690	0.9
163.11336	0.5
173.11879	0.5
181.04701	0.5
185.04158	4.2
199.05844	0.4
201.03732	1.1
203.05296	0.5
241.06921	1.0
243.08319	4.4
275.20154	0.6
288.20569	0.9
301.08865	13.9
315.10510	2.8
327.10480	0.6
329.12018	0.7
333.20303	7.5
341.12039	0.9
343.13861	0.8
349.16876	0.7
357.11554	0.5
357.15405	1.5
359.22189	0.5
369.15234	1.3
371.16837	1.6
373.11050	5.8
373.23425	2.2
385.18198	8.2
385.22736	0.5
387.12524	0.9
389.22952	0.6
409.18314	1.0
415.15814	0.8
423.20102	1.7
425.21954	1.0
429.17429	1.9
431.24081	3.2
441.17426	0.5
445.25485	0.6
449.24829	0.6
455.18903	1.1
457.20120	0.8
469.20325	4.4
477.24698	3.6
481.20322	0.8
483.22003	4.9
485.23511	0.6
515.33557	2.2
541.22656	1.5
542.22906	2.5
551.28186	10.3
552.28662	0.7
553.29889	1.3
561.34515	1.4
567.31445	1.6
568.32495	0.8
583.27448	0.8
609.29456	0.6
610.29486	4.7
623.30176	5.6
623.39069	0.6
624.31415	0.7
625.31836	0.7
626.32892	1.4
637.31934	1.5
651.33545	1.7
665.35522	1.1
693.37805	1.6
694.38495	2.2
735.38959	4.7
749.39990	0.7
777.39893	0.7
807.40833	1.7
875.46802	2.8
893.48102	100.0
894.48523	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	894.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	4.5
67.05494	51.7
68.06287	1.9
69.03117	1.4
69.03420	8.7
69.06470	1.7
69.07060	38.5
69.57023	3.3
69.57386	3.1
71.01349	1.7
71.04986	6.7
71.08627	2.3
73.02904	7.4
73.06599	1.4
75.00050	1.9
77.03937	2.2
79.05481	64.0
80.05850	2.1
81.03406	15.2
81.07043	93.0
83.04969	14.6
83.08603	15.0
85.02889	8.2
85.06551	3.8
87.04489	1.5
91.03957	3.4
91.05465	52.1
93.07028	46.8
93.07571	2.6
95.01344	1.8
95.04952	31.3
95.05509	1.9
95.08592	24.7
95.09122	2.2
96.05818	2.3
97.02892	9.8
97.06511	13.1
97.10156	20.9
97.10724	1.8
99.04426	3.6
99.08109	5.2
101.02441	1.4
103.05497	2.9
105.04534	3.1
105.07012	31.5
107.04947	20.1
107.05587	2.0
107.08573	22.5
109.02904	2.2
109.06500	23.1
109.07181	1.4
109.10150	17.9
111.04427	9.7
111.08068	8.0
115.05476	2.9
115.07561	1.7
116.04726	2.5
117.07000	22.8
119.04998	2.4
119.08565	37.4
121.06475	14.2
121.10127	12.1
123.04486	3.9
123.08055	21.9
125.05981	7.1
125.09607	16.8
127.07574	2.8
128.06235	3.2
129.01042	1.7
129.05461	29.7
129.06947	16.9
131.08548	19.8
131.09435	1.6
133.06473	8.1
133.10118	16.4
135.08032	24.5
135.11621	9.3
137.06003	1.7
137.09584	15.8
139.07544	2.2
139.11188	3.0
141.06952	2.3
142.07791	2.2
143.07039	11.7
143.08516	11.8
145.04216	1.7
145.06522	4.0
145.10091	18.8
147.08025	23.7
147.11642	9.2
149.02376	1.6
149.09596	14.1
149.13295	3.1
151.07603	3.2
151.11255	2.7
153.09131	5.1
153.12749	3.9
155.08562	3.3
157.06546	2.4
157.08922	2.6
157.10077	12.9
159.08110	6.4
159.11752	6.4
161.09599	13.1
161.13219	2.9
163.07622	3.9
163.11168	18.1
165.09172	4.6
167.07158	1.6
169.10091	3.3
171.08098	2.4
171.10211	6.5
171.11766	5.9
173.09663	6.1
173.11821	3.5
173.13263	2.8
175.11188	7.0
177.09178	2.9
177.12769	3.3
181.10062	1.7
181.12267	4.0
183.05853	3.1
183.10210	1.8
183.11737	2.3
185.04045	1.8
185.09706	4.9
185.11790	2.2
185.13379	3.8
187.11215	3.6
189.09567	2.5
189.11186	14.2
189.12625	2.0
191.10739	6.4
191.14319	2.1
193.04979	2.0
193.12320	6.3
197.07310	3.9
199.14819	6.7
201.11288	5.4
203.10635	2.8
205.12411	1.9
215.14345	2.2
217.15961	4.9
223.13297	3.0
227.12643	12.9
227.14688	1.5
227.17819	1.9
229.14406	6.0
235.12639	1.7
243.08351	2.7
243.13667	1.9
245.15387	18.4
245.19066	2.3
249.15242	1.6
253.13719	4.4
255.17671	2.6
261.14972	3.0
263.16422	2.2
273.18451	27.8
273.21259	1.6
275.20114	2.0
279.15881	1.8
281.13199	3.3
283.15414	3.0
289.18048	4.5
291.19489	41.7
291.22543	2.3
299.14221	1.8
301.09061	2.6
307.18970	1.5
309.20743	3.9
319.19189	4.3
322.73602	1.5
347.22046	11.1
355.16574	10.3
365.23206	25.8
371.16370	3.4
371.20752	2.6
373.17755	13.4
381.22379	1.9
383.20160	2.0
383.24219	7.7
389.17209	37.2
399.23700	9.7
491.29849	1.7
503.33884	2.7
509.56091	1.4
527.27570	3.8
535.36188	1.7
547.92725	1.6
549.39899	1.4
551.28674	3.1
552.28632	2.9
568.28912	2.5
609.37311	2.5
625.37372	1.5
643.38306	1.7
645.35663	5.4
661.34796	1.7
663.36896	6.1
679.35779	12.6
697.36871	22.0
792.42511	2.6
893.47461	6.8
894.48389	100.0
895.47473	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	895.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	11.2
71.01344	1.8
71.45392	0.3
73.02885	1.1
79.05482	0.5
81.03429	0.5
83.04964	15.5
85.02885	6.0
87.04449	2.2
91.59544	0.3
95.08596	0.3
97.02874	23.1
105.03336	0.3
109.02849	0.7
111.00796	0.7
111.04424	33.4
115.03909	38.8
121.02847	1.9
127.03865	1.1
129.05461	0.9
132.12230	0.3
133.02829	0.4
136.62614	0.4
137.02335	0.5
138.29492	0.4
147.04356	0.7
153.01807	2.8
153.05441	20.6
157.04933	10.3
157.06310	0.5
165.01830	1.4
171.06503	2.3
175.05989	16.3
183.02870	0.7
185.05951	0.3
192.51585	0.3
213.05383	1.3
213.07576	1.1
231.06526	0.7
239.30632	0.4
258.05222	0.8
259.05902	0.5
273.09644	1.8
287.05441	100.0
288.05746	2.0
299.05554	0.5
329.06287	0.4
436.99673	0.3
449.10693	23.0
450.10739	0.6
545.92523	0.4
559.13971	1.3
721.19397	2.6
769.76831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	17.7
69.13737	0.5
69.14165	0.8
73.02906	3.3
78.15032	0.2
83.04978	2.5
85.02892	6.8
97.02878	100.0
98.03221	0.7
109.02892	0.2
110.90993	0.2
111.04437	3.2
115.03913	21.3
116.04243	0.2
121.02898	0.4
127.03896	1.6
129.05455	0.4
139.03883	19.2
140.04225	0.3
153.01807	0.2
153.05469	0.9
157.04938	44.7
158.05272	0.4
165.01884	0.3
171.06529	0.8
177.05421	0.3
190.64908	0.2
199.05988	2.4
217.07042	4.6
231.08594	0.6
287.05466	14.9
288.05798	0.3
329.06754	0.2
388.38708	0.3
449.10791	3.0
509.33438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93681	0.2
67.05514	0.2
68.99784	0.2
69.03418	22.7
69.62560	0.7
72.91869	0.2
73.02921	0.2
79.05476	0.3
81.03425	0.4
83.04968	10.5
85.02891	2.7
91.05483	0.2
97.02877	100.0
98.03214	0.7
99.04408	0.3
105.03373	0.2
107.04951	0.4
109.02847	0.4
111.00818	0.4
111.04424	21.8
115.03915	10.0
121.02836	1.6
125.53908	0.2
127.03881	1.0
129.05458	0.9
132.70175	0.2
133.02867	0.3
137.02330	0.4
139.03877	28.3
145.04936	0.4
146.05351	0.2
146.10670	0.2
147.04413	0.4
153.01808	2.1
153.05440	13.5
157.04944	10.5
165.01831	1.1
166.04964	0.3
169.44037	0.2
171.06517	1.7
175.05978	0.9
177.05388	0.3
183.02870	0.7
199.06003	3.3
213.05414	0.8
213.07542	1.1
217.07037	3.4
231.06532	0.4
241.04895	0.7
258.05243	0.5
259.05936	0.3
273.09601	1.5
287.05447	92.5
288.05823	2.3
299.05426	0.2
311.05344	0.3
329.06354	0.4
441.82477	0.2
449.10712	20.1
450.10886	0.6
471.22699	0.2
500.81726	0.2
503.11636	0.3
559.14111	1.1
598.55103	0.2
721.19507	1.7
785.31628	0.2
823.89117	0.3
894.42285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06833	0.3
68.68666	0.3
69.03421	17.5
71.43474	0.3
74.50732	0.3
78.01541	0.3
79.00843	0.3
79.05495	0.3
79.65971	0.3
83.04974	3.5
85.02905	2.7
97.02882	100.0
98.03225	0.6
111.04428	3.7
115.03915	1.5
121.02868	0.4
127.03907	0.6
129.05478	0.6
137.98665	0.3
139.03885	18.1
147.04417	0.3
153.01811	0.6
153.05444	1.4
157.04947	11.1
171.06526	2.4
199.06020	2.6
217.07045	3.4
231.08499	1.5
287.05463	31.0
288.05768	0.5
418.13788	0.3
449.10828	6.5
456.11258	0.3
679.18439	0.7
895.45624	0.4
916.72192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	3.7
69.03427	2.6
69.07060	1.9
69.20992	0.7
69.21395	0.7
71.01346	0.5
71.04993	0.8
73.02901	2.7
78.53896	0.3
79.05488	4.6
80.92494	0.2
81.03406	1.8
81.07043	4.7
83.04987	1.2
83.08610	1.5
85.02895	4.3
91.03951	1.6
91.05470	2.8
93.07028	3.4
95.04945	2.3
95.08603	1.9
97.02872	3.5
97.03389	0.3
97.06519	0.5
97.10181	0.8
99.04456	1.6
101.02357	1.2
103.03977	0.3
105.07008	2.6
107.04944	1.0
107.08562	2.5
109.02870	0.7
109.06516	1.0
109.10138	1.2
111.04446	1.3
111.08080	0.4
115.03975	0.3
115.05406	0.4
117.07037	1.1
119.08569	2.2
121.06497	0.5
121.10108	1.7
123.08066	1.5
125.09584	0.5
127.03935	0.9
129.07021	0.7
131.08537	1.4
133.10150	1.2
135.08032	0.5
135.11703	0.6
137.09673	0.5
143.08589	0.8
145.10124	2.0
147.08067	0.6
147.11685	0.8
149.02423	0.4
149.09615	1.3
151.11171	0.3
152.06909	0.3
156.77165	0.2
157.10184	0.7
159.11742	0.5
161.09621	0.5
163.11156	2.0
173.09593	0.3
177.12671	0.3
185.04285	0.3
203.05327	0.5
205.12476	0.3
214.79095	0.2
223.13284	0.5
243.08380	3.5
243.10600	0.4
259.07968	0.3
273.18561	0.8
275.20099	1.0
276.20395	0.4
291.19568	0.5
331.18890	1.1
333.20349	1.2
344.49414	0.2
367.16623	0.3
377.07266	0.3
387.21609	0.9
389.23160	0.7
467.18903	0.4
549.26569	3.7
551.28174	7.2
585.24158	3.2
605.69696	0.3
647.25568	0.3
651.11090	0.3
697.44238	0.3
859.48022	2.0
879.22717	0.3
895.45599	100.0
896.45886	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	895.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	3.5
69.03416	3.2
69.07081	1.9
70.06583	0.8
71.05002	0.8
73.02923	2.8
77.12370	0.5
79.05502	3.4
81.03416	1.8
81.07047	6.5
83.04958	0.7
83.08630	1.4
83.69900	0.4
85.02900	4.1
89.06049	0.8
89.38275	0.4
91.03970	1.5
91.05492	3.0
93.07040	3.9
93.20557	0.5
95.04983	1.4
95.08621	2.2
97.02879	3.9
98.23512	0.8
99.04435	0.5
101.02398	1.1
103.03921	0.5
105.07014	3.2
107.04929	0.8
107.08605	1.9
109.02913	0.8
109.06553	0.9
109.10177	1.6
111.08105	0.7
117.07052	1.2
119.08609	1.8
121.10158	0.8
123.08089	1.1
125.09717	0.4
127.03899	0.7
129.06999	1.1
130.78276	0.6
131.08612	1.4
132.08907	0.6
133.10155	1.5
135.11726	0.6
143.08589	0.6
145.10159	1.3
147.08034	0.7
147.11690	0.7
149.09671	1.2
151.11192	0.5
151.33443	0.4
159.11671	0.8
163.11223	1.4
232.00711	0.5
243.08409	2.3
273.18439	0.5
320.22177	0.5
331.18848	1.1
333.20496	2.0
371.16116	0.7
389.23154	0.6
455.18903	1.2
549.26477	2.8
551.28302	5.0
585.24500	2.3
617.24188	1.0
859.48102	1.6
878.88129	0.5
895.45679	100.0
896.45984	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	895.457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	3.6
67.33285	0.4
69.03423	1.9
69.07054	2.2
71.05018	0.5
73.02892	2.2
79.05492	2.5
81.03426	1.5
81.07045	6.0
83.04995	0.9
83.08624	1.2
85.02879	3.0
91.03964	1.4
91.05478	2.4
93.07030	2.7
95.04982	1.3
95.08610	1.6
97.02877	3.1
97.06517	0.4
101.02419	1.1
105.07011	2.2
105.96227	0.4
107.05016	0.6
107.08552	2.2
109.06554	1.2
109.10215	0.7
111.04488	0.4
111.08047	0.6
115.03957	0.5
117.07045	0.8
119.08556	2.1
121.06543	0.4
121.10165	1.3
123.08096	1.1
123.11801	0.4
127.03933	1.1
129.07060	0.4
131.08578	1.1
133.10109	1.0
143.08582	0.5
145.05064	0.5
145.10130	1.2
147.11739	1.3
149.09587	0.6
159.11711	0.7
163.11273	0.5
203.05251	0.6
243.08394	2.7
308.82471	0.4
331.18698	1.8
333.20233	2.2
367.16730	0.5
434.78653	0.4
549.26471	2.7
551.28259	5.4
552.29041	0.4
585.24426	2.2
609.94556	0.4
859.47961	1.6
895.45587	100.0
896.45905	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	896.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	12.6
69.03404	2.8
69.07064	5.9
71.08620	14.9
73.02902	3.4
79.05476	6.2
81.03407	2.9
81.07044	18.3
82.70428	0.8
83.04961	2.9
83.08611	13.0
83.30900	0.7
85.02888	8.2
85.06517	1.2
85.10176	9.0
89.06021	1.3
91.03944	6.3
91.05466	12.8
93.07024	9.5
95.04950	3.7
95.08597	11.9
97.02879	8.3
97.06514	3.7
97.10169	3.3
98.23517	1.3
99.00804	11.6
99.11694	1.0
103.07568	1.2
105.03344	0.8
105.07013	8.8
107.04958	4.1
107.08572	4.0
109.02866	7.4
109.06515	2.2
109.10147	8.4
111.04445	1.0
111.08061	3.2
115.03918	2.0
117.06992	2.0
119.08554	5.9
121.06454	4.3
123.04385	1.5
123.11686	3.0
127.03902	5.8
129.07014	0.9
131.08582	1.1
133.06525	1.0
133.10110	25.2
135.08018	2.0
135.11734	1.1
137.05946	1.5
137.09547	1.1
139.07533	2.4
143.08531	2.9
145.04893	2.0
151.11148	8.7
161.09599	13.4
163.06039	4.0
165.09120	1.0
170.10809	0.8
171.08008	2.3
179.10661	7.3
185.17542	0.9
189.09048	4.9
197.11661	2.2
207.10167	2.1
207.17847	0.9
225.11148	6.7
239.23651	1.3
243.12247	2.2
257.24716	2.1
281.13788	3.2
299.14847	100.0
300.15152	2.1
313.27325	79.8
314.27661	1.9
537.37787	50.2
538.37952	2.1
800.23883	0.8
896.44861	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	897.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.6
69.03413	3.7
69.07056	2.1
71.04988	1.2
73.02898	5.5
79.05488	3.6
81.03416	3.8
81.07037	5.5
83.01086	1.6
83.08624	1.2
84.01871	2.1
85.02888	8.4
86.67313	1.1
91.03952	7.9
93.07043	2.3
95.01083	2.6
95.04948	1.9
95.08575	2.2
96.01903	1.4
97.02867	5.6
97.55491	1.2
99.04467	1.6
99.08101	2.1
101.02361	1.6
105.07034	1.5
107.08624	1.3
109.02887	2.6
109.10151	2.2
109.87073	1.1
119.08595	1.6
121.02645	1.3
123.04179	1.5
125.02152	1.4
125.09626	1.3
127.03858	2.0
127.11251	1.4
129.05472	8.0
150.54128	1.1
156.03906	1.7
157.04822	1.4
173.11752	2.6
181.04771	1.3
183.06700	1.2
184.03432	1.8
185.04192	12.4
193.04710	1.4
193.08379	1.3
195.09918	1.6
201.03682	3.8
203.05290	1.8
205.08305	2.5
211.05739	1.3
239.05243	2.1
243.08318	11.5
249.11073	1.7
259.07953	3.2
271.11533	1.0
301.08871	14.4
313.08817	6.2
315.10443	10.4
319.10086	3.5
319.15338	1.4
328.46869	1.1
329.12311	1.5
337.19812	1.7
357.15201	19.3
358.15942	1.2
363.17795	2.1
365.19583	1.4
369.15445	1.3
373.11038	3.0
373.14972	2.2
385.10834	5.7
385.18378	9.4
387.12219	1.3
399.12488	1.7
401.13425	1.6
401.18030	2.5
413.13895	2.6
427.15851	2.7
429.17221	3.0
439.15811	1.2
441.17178	2.4
445.17279	3.4
455.19009	2.5
457.20865	2.1
473.19809	8.3
497.20178	3.2
519.29456	2.3
529.25623	1.5
537.23334	2.6
557.25537	2.4
565.29987	2.1
567.27917	1.4
568.31158	1.2
583.27161	4.2
597.25006	13.8
609.26819	1.3
613.27911	2.4
637.29199	2.0
655.29053	9.6
666.35846	4.7
667.37341	1.5
681.34479	33.7
721.97986	1.3
739.35529	8.4
765.69739	1.2
811.37042	1.9
879.42731	2.5
897.44342	100.0
898.44928	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	899.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
67.92574	0.9
69.03426	2.6
69.07066	2.4
69.57775	2.4
71.04976	1.0
73.02908	4.1
75.78719	1.0
79.05510	4.2
79.05903	1.0
81.03407	2.4
81.07052	6.0
83.04956	1.2
83.08625	1.8
84.87286	0.9
85.02877	5.6
91.03954	3.4
91.04505	0.8
91.05473	4.0
92.31358	0.8
93.07014	4.1
95.04980	2.7
95.08636	2.4
97.02320	0.7
97.02872	4.7
97.10150	1.5
101.02404	1.4
105.07036	1.7
107.08597	3.0
109.02882	1.6
109.06544	1.5
119.08569	1.4
121.10195	1.1
127.03938	2.7
129.05470	5.8
131.08522	1.2
149.09697	0.9
179.14223	1.0
181.10062	0.9
183.78560	0.9
185.04269	3.6
195.09973	0.8
201.03810	1.8
237.10983	1.7
243.08336	5.0
280.63510	1.0
281.63556	0.9
291.19601	1.4
301.08838	9.3
301.11856	0.9
303.15750	1.7
313.09027	2.3
315.10440	6.6
321.20319	1.5
327.10669	1.0
329.12192	1.2
343.13467	1.3
349.20035	2.8
357.15216	10.3
365.15302	1.6
373.11078	6.2
385.18353	6.8
401.13983	1.5
415.15570	1.5
429.17462	2.9
441.17471	1.3
457.16916	4.5
461.24854	1.7
471.18161	1.0
503.29889	3.8
521.23480	6.5
541.26453	5.8
555.27893	1.1
557.21234	2.8
567.27814	8.0
581.25732	3.6
583.26880	1.4
596.27972	1.0
608.32550	1.3
613.28137	5.0
629.23083	3.3
639.29584	13.0
640.30615	1.3
657.26404	1.4
664.34381	1.9
665.35199	2.2
682.34753	1.1
723.35950	2.8
741.32001	3.6
845.42139	1.2
881.40320	2.6
899.41522	100.0
900.41455	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	900.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	15.4
69.03432	4.1
69.07058	3.4
71.04977	2.5
73.02920	1.3
79.05482	16.3
81.03409	55.1
81.07053	16.1
83.04956	4.6
83.08606	20.2
85.02884	6.4
85.06548	2.3
86.06062	1.8
87.04491	1.4
91.03952	2.0
91.05469	23.8
93.07034	19.1
95.04956	20.5
95.08583	6.2
97.02866	7.6
97.06511	4.0
97.10168	5.4
99.00804	12.1
99.04411	1.2
103.03944	2.6
103.05439	2.1
105.03390	2.1
105.04479	1.3
105.07013	21.1
107.04951	10.0
107.08581	7.7
109.02870	12.8
109.06513	6.1
109.10136	4.2
111.04421	3.8
111.08064	9.3
115.03918	1.4
115.05413	1.5
117.07018	3.2
119.04975	1.0
119.08575	14.1
120.80593	0.8
121.06495	12.5
121.10106	5.1
123.04423	3.4
123.08075	2.4
123.11679	1.5
125.09616	4.7
127.03891	10.0
128.06221	1.5
129.06984	6.3
131.08569	6.4
133.06493	3.3
133.10110	30.7
135.04381	1.2
135.08041	3.3
135.11661	1.9
137.05991	2.2
137.09622	3.2
139.07567	2.7
142.07739	1.6
143.08551	3.5
145.04932	1.8
145.06508	1.1
145.10104	3.9
147.04382	1.9
147.08051	3.6
147.11649	6.2
149.09613	3.5
151.11154	8.6
153.09088	1.5
154.06081	1.0
157.10089	8.4
161.05885	1.2
161.09595	15.9
163.03824	0.9
163.05952	1.2
163.11177	3.4
165.12695	1.4
171.08052	4.0
175.11192	5.8
177.05428	1.7
179.10664	8.5
181.11972	1.0
187.05946	1.3
189.09103	10.2
189.11189	3.7
191.14496	1.0
193.12234	16.7
197.11711	2.1
201.12767	0.9
206.11679	6.3
207.10172	3.5
209.11722	2.4
211.13298	2.2
219.13791	8.4
225.11191	7.6
227.12801	4.0
229.06998	1.1
235.13412	1.0
259.13309	1.6
263.12808	1.2
267.15878	73.8
268.16351	2.1
281.13831	6.2
283.15381	4.9
287.05560	2.6
299.14856	59.5
301.16605	1.4
309.16949	1.3
371.22043	0.9
381.20438	1.7
389.23090	2.2
399.21710	1.7
417.22400	2.1
445.25766	9.8
455.24515	1.8
463.26816	8.5
464.27295	1.0
472.19724	1.1
473.25320	28.9
474.26089	1.9
485.26779	1.2
491.26321	100.0
492.26730	5.8
509.27664	7.3
523.29059	1.2
533.27466	4.9
587.28070	1.8
599.28113	1.9
617.28546	2.0
635.30817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.2
67.05155	2.2
67.05499	35.1
69.07059	6.9
71.04975	2.5
71.08637	1.3
79.05482	43.8
79.05943	2.2
81.03401	5.1
81.07045	33.7
83.04961	3.2
83.08614	3.8
85.02914	3.3
85.06509	1.9
88.66484	1.1
91.03953	1.5
91.05467	28.5
93.07032	42.3
95.04961	15.2
95.08591	24.9
97.02882	1.8
97.06511	2.4
97.10175	2.4
105.04466	2.1
105.07014	20.7
107.04932	3.5
107.08582	13.1
109.06510	3.0
109.10153	6.7
117.06995	5.4
119.08584	11.4
121.06548	1.8
121.10134	7.8
123.08043	2.6
129.06998	7.7
131.08565	6.8
133.10094	8.1
135.11678	3.8
143.08553	4.2
145.10075	7.0
147.11670	18.1
148.11859	1.4
149.13251	2.3
149.58978	1.3
159.11682	1.5
161.13255	5.9
171.11656	12.5
189.12712	4.9
207.13739	15.1
228.75613	1.2
261.22083	2.5
279.15854	3.6
281.17453	52.5
282.17725	1.7
301.16296	1.9
313.27356	2.2
335.21661	2.1
335.25757	39.8
505.65067	1.5
541.38812	100.0
542.38916	7.1
559.39911	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	902.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.5
67.05494	57.2
69.03420	9.4
69.06698	2.3
69.07058	31.1
71.04969	7.2
73.02921	2.9
73.80950	1.2
77.03887	1.8
79.05484	68.4
81.03410	14.1
81.07044	81.0
82.07381	1.6
83.04966	13.2
83.08608	19.4
85.02891	9.5
85.06534	3.6
91.03960	3.4
91.05465	48.6
91.06044	2.4
93.07031	69.9
95.04958	29.7
95.05582	1.3
95.08591	48.4
97.02885	8.5
97.06528	9.7
97.10154	19.0
99.00803	3.9
99.04478	2.8
99.08059	1.2
103.05476	3.1
105.04508	3.7
105.07014	32.0
105.07716	1.6
107.04947	21.3
107.08574	52.2
107.80878	1.4
109.02868	8.3
109.06514	13.2
109.10146	18.9
111.04456	6.9
111.08060	6.9
111.25955	1.1
115.03906	1.2
115.05441	5.0
117.06184	1.5
117.07004	28.0
117.47335	1.2
119.04894	2.4
119.06143	1.3
119.08562	33.9
121.06493	14.0
121.10120	19.3
123.04414	5.7
123.08031	9.4
123.11681	2.5
125.05955	2.3
125.09612	14.6
127.03913	2.1
128.06216	1.9
129.01053	3.0
129.06996	6.0
130.07809	1.7
130.15019	1.2
130.98955	2.9
131.08546	18.7
132.05899	1.2
133.06430	7.6
133.10109	22.0
135.04440	3.0
135.08025	34.0
135.11671	31.2
135.12457	1.0
137.05933	1.4
137.09584	8.7
139.07491	1.7
139.11163	1.4
141.00891	1.3
141.07039	2.0
143.08533	8.9
145.06425	8.4
145.10103	25.0
147.08003	9.7
147.11656	5.9
149.09601	5.1
149.13237	2.9
151.07458	1.3
151.11172	2.9
153.04712	1.9
153.09131	4.0
153.12689	2.6
155.08543	3.8
157.10095	4.4
159.08034	9.4
159.11691	5.1
161.09586	12.9
161.13278	3.0
163.06143	2.3
163.07491	19.2
163.11154	34.2
169.10120	2.1
171.05710	5.7
171.08035	2.3
171.11685	2.1
173.09615	3.9
173.13232	4.2
175.11287	2.6
177.12799	1.5
179.10678	3.3
181.12187	6.6
183.11667	3.3
187.11208	2.4
189.09203	2.0
189.11186	6.3
189.12759	1.4
191.10648	4.6
193.12186	23.3
199.05203	1.9
201.16431	1.7
209.11615	1.6
211.13255	2.1
215.18217	1.3
219.13742	1.4
221.11702	2.3
225.11110	1.5
225.16389	2.3
227.12746	34.3
243.17383	5.3
243.21225	1.8
245.87048	1.4
261.18430	6.3
261.22095	5.7
267.15961	1.5
271.16934	10.3
274.30966	1.4
275.20068	2.5
279.15027	2.5
283.15381	44.9
289.17947	43.6
306.27353	1.2
307.15692	1.5
307.18997	7.8
325.15472	2.7
335.25745	65.0
336.26117	1.8
349.23547	1.9
363.21628	13.8
381.22662	99.7
382.22946	3.0
399.19269	97.8
400.19287	2.7
421.04730	1.5
495.25339	3.1
525.35773	1.5
543.36713	67.6
544.37189	1.6
591.30347	1.7
603.16553	1.5
687.36444	14.0
705.37469	100.0
706.37476	5.8
902.50769	2.3
903.47614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.3
67.05496	43.2
67.05861	2.3
69.03421	2.7
69.07050	10.9
69.07370	1.6
71.04978	5.2
73.02906	3.8
79.05031	2.8
79.05480	41.3
81.03402	5.7
81.07040	42.1
83.01378	1.7
83.04952	7.6
83.08604	12.1
85.02454	1.5
85.02879	8.1
91.03943	5.2
91.05456	20.2
93.06436	2.6
93.07027	54.8
95.04960	11.3
95.08009	2.9
95.08593	45.4
97.02888	8.1
97.06514	5.3
97.10165	4.7
99.04440	1.6
105.04506	1.9
105.07011	19.1
107.04924	7.3
107.08575	39.1
109.06506	4.9
109.10156	13.2
111.08098	3.0
113.05964	1.4
117.06996	11.1
119.08557	17.2
121.06480	6.9
121.10126	22.3
123.08043	2.2
123.11675	3.4
125.06024	2.0
125.09637	2.9
127.03951	1.8
129.06987	1.7
130.07736	2.2
131.08533	6.8
133.10106	8.5
135.08076	3.0
135.11662	44.4
137.09628	1.8
143.08539	3.1
145.10106	26.7
147.11662	3.8
149.13206	4.4
153.12733	1.7
155.08563	2.2
159.11687	3.7
161.09721	1.7
161.13254	3.3
163.06020	2.4
163.11163	46.2
163.14790	1.5
173.09595	2.0
173.13319	4.6
173.73918	1.6
181.12138	8.9
189.11102	1.2
209.11777	2.5
210.64850	1.4
227.12730	59.1
243.21060	4.2
261.21997	9.9
267.15851	2.1
275.20050	1.6
283.15347	100.0
284.15631	2.4
289.18063	4.0
291.19882	1.7
299.23621	1.5
304.31656	1.6
317.24792	2.7
335.25748	90.4
336.26105	3.1
363.21902	1.9
381.22607	4.5
399.19440	6.4
525.36273	2.1
543.36737	97.2
544.36932	4.9
561.37793	2.3
629.87903	1.5
657.13751	1.6
705.36707	4.5
821.60742	1.3
841.05426	1.8
878.33716	1.5
902.50555	2.6
903.45740	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.6
67.05498	56.6
69.03430	4.4
69.07065	13.9
70.03917	1.5
71.01331	0.9
71.04984	5.3
71.08605	1.1
73.02910	5.2
77.03905	1.5
79.05486	50.6
81.02957	1.0
81.03407	14.5
81.07050	60.8
83.01334	10.3
83.04972	10.9
83.08617	16.3
85.02394	1.5
85.02893	24.7
85.06535	3.2
91.03948	13.0
91.05470	28.9
93.07035	60.5
95.04956	12.3
95.08594	41.6
96.04475	1.0
97.02888	11.0
97.06517	5.7
97.10170	6.6
98.23442	0.8
99.04430	3.7
99.08055	1.2
101.02326	0.8
103.03940	0.9
103.05463	1.1
105.04501	2.2
105.07021	22.2
107.04958	9.9
107.08585	34.7
109.02856	1.5
109.06502	8.9
109.10145	17.4
111.04413	2.9
111.08045	2.2
111.11613	0.9
115.03920	0.9
115.05437	1.3
117.07004	12.4
119.08573	17.9
121.06482	3.2
121.10134	25.1
123.04396	0.9
123.08038	10.7
123.11694	5.6
125.05978	2.2
125.09630	5.0
127.03905	5.9
128.06233	0.9
129.06982	2.9
130.07787	1.9
131.04842	0.9
131.07635	1.3
131.08559	14.4
133.10107	10.4
135.08023	3.3
135.10641	1.3
135.11687	24.9
137.09615	2.8
137.13254	1.3
139.11186	1.0
141.06996	0.8
143.08574	2.5
145.04962	6.0
145.06476	1.2
145.10110	23.7
145.11209	1.5
146.10394	1.0
147.08028	1.9
147.11678	7.4
149.09637	1.1
149.13239	8.6
151.11172	1.2
153.12721	3.3
154.31195	0.7
155.08574	1.9
157.10146	2.0
159.11690	6.8
161.13226	5.2
163.06007	5.9
163.11172	23.9
163.14806	3.7
165.12756	1.4
169.10123	1.9
171.11697	1.1
173.09644	3.5
173.13216	5.5
175.14807	2.5
177.16397	1.0
181.12239	4.5
185.13191	0.9
187.14789	3.7
189.11229	2.8
191.10587	3.9
193.12238	2.0
199.14783	1.1
201.16415	1.3
209.11696	7.6
211.13203	1.9
214.89471	0.8
215.17987	0.8
225.16455	0.8
227.12735	10.8
233.22641	1.2
233.96420	0.8
241.19469	0.8
243.21071	6.5
259.20578	2.6
261.22086	18.9
261.36774	0.7
265.14334	1.1
267.15912	2.9
273.22198	0.8
277.21844	1.1
283.15363	95.4
284.15704	2.2
293.87958	0.7
299.23639	4.9
301.21759	0.8
317.24625	5.0
333.24179	2.5
335.25766	100.0
336.25980	2.4
433.30957	2.5
451.32013	4.5
469.33136	3.0
487.34415	0.9
515.37482	1.7
525.35577	7.4
543.36755	94.1
544.36896	5.7
561.37726	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	1.8
67.05498	34.5
69.03412	2.7
69.07057	9.4
71.01365	0.7
71.04996	3.9
71.08617	1.2
73.02908	4.2
77.03932	0.9
79.05482	30.3
81.03413	10.1
81.07045	40.9
83.01334	5.3
83.04971	9.8
83.08610	13.0
85.02894	16.4
85.06527	1.2
86.72981	0.6
87.04475	0.8
89.29925	0.7
91.03941	9.5
91.05464	20.3
93.07034	36.9
95.04954	9.3
95.08592	25.0
97.02878	10.6
97.06525	3.7
97.10162	3.8
98.22703	1.8
99.04431	2.8
99.08086	0.9
105.04503	1.0
105.07014	13.4
107.04940	5.2
107.08578	20.3
109.02866	1.0
109.06498	7.3
109.10140	12.4
111.04433	2.8
111.08058	2.2
116.49872	0.6
117.01554	0.6
117.07013	8.1
119.08565	12.0
121.06499	2.8
121.10132	16.5
123.08050	7.8
123.11683	3.1
125.09606	3.5
127.03899	3.6
129.06952	1.5
130.07756	0.8
131.08551	8.5
133.06471	0.8
133.10095	7.1
135.08049	2.2
135.11682	13.9
137.09599	1.9
137.13251	1.5
139.07507	0.9
139.11134	0.9
143.08546	1.9
145.04927	4.8
145.06447	0.8
145.10100	16.1
147.07973	2.0
147.11681	4.1
149.09686	1.2
149.13200	4.8
151.11237	0.7
153.12732	2.8
155.08557	1.7
157.10094	0.9
159.11662	5.0
161.13239	2.7
163.05991	5.3
163.11168	17.7
163.14790	2.1
169.10106	1.3
170.08224	0.7
171.11664	1.4
173.09624	2.4
173.13222	4.4
175.14796	1.7
177.16356	1.1
181.12216	2.6
185.13216	1.4
187.14777	1.8
189.11165	3.0
191.10657	3.2
193.12221	2.1
199.14841	0.9
205.24434	0.7
209.11670	5.4
210.14093	0.6
211.13292	1.7
227.12704	13.0
241.19533	1.0
243.21040	4.3
259.20547	2.0
261.22095	13.3
267.15866	2.4
283.15356	100.0
284.15692	2.8
299.23633	5.2
317.24731	3.4
333.24258	2.1
335.25751	66.4
336.26065	2.8
433.30911	1.9
451.31985	2.7
469.33374	3.6
481.32849	0.8
487.34509	1.5
515.36829	0.8
525.35614	6.6
543.36719	58.4
544.36963	2.4
561.37628	5.7
643.02631	0.8
929.36224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03884	2.2
65.84093	0.6
67.05495	43.5
67.05843	1.4
69.03384	3.2
69.07058	14.7
71.04977	4.7
73.02863	2.7
79.05484	43.7
80.05798	0.8
81.03400	5.2
81.07046	50.1
81.58214	0.7
83.04972	4.0
83.08611	10.2
85.02880	4.8
85.06490	2.1
89.56966	0.7
91.03904	2.7
91.05466	23.0
93.07029	52.8
95.04954	12.9
95.08591	47.1
96.01871	0.7
96.04392	0.6
97.02866	6.7
97.06529	6.2
97.10172	5.3
98.22590	1.8
99.04446	3.6
99.08061	1.1
100.02809	0.8
105.04465	1.8
105.07012	18.1
107.04942	9.3
107.08578	37.5
109.02850	1.7
109.06499	6.4
109.10146	13.7
111.04429	1.7
111.08011	3.3
115.05378	1.2
117.06284	0.8
117.07001	12.4
119.08565	18.4
121.06477	8.2
121.09254	1.0
121.10120	19.5
123.04387	1.3
123.08019	3.3
123.11680	4.0
125.05924	2.1
125.09620	4.2
126.73303	0.7
128.06178	1.1
129.06937	2.4
130.07759	2.1
131.08546	8.7
133.06429	1.1
133.10124	11.1
135.08055	8.7
135.11671	41.7
137.09567	2.1
137.13184	1.0
139.07475	1.8
143.08501	2.1
145.04865	1.4
145.06409	2.3
145.08949	1.4
145.10091	25.0
147.07993	2.0
147.11667	4.4
149.09561	2.2
149.13188	3.4
151.11087	1.2
153.12703	1.0
155.08598	0.9
157.10117	1.7
159.07997	2.2
159.11633	4.2
161.09602	3.5
161.13210	2.9
163.07507	3.6
163.11154	44.5
163.14784	1.7
171.05727	1.0
173.09520	1.6
173.13184	2.6
175.11119	1.1
175.14848	1.3
181.12160	5.9
189.09206	0.7
189.11121	1.5
191.10553	1.5
193.12227	4.6
199.05193	0.9
201.16335	0.9
209.11652	2.1
227.12743	48.2
228.13075	0.9
243.17389	1.6
243.21037	2.2
261.22128	7.7
271.16827	2.1
275.20056	1.7
283.15356	56.8
284.15622	1.3
289.17987	9.3
307.18893	1.3
317.24387	1.8
335.25745	100.0
336.26102	2.5
349.23395	1.0
363.21613	2.2
381.22641	18.4
399.19241	20.9
441.40750	0.8
469.33377	0.8
543.36743	98.2
544.37079	3.9
561.37439	1.6
575.39362	1.3
655.41510	1.0
687.36597	4.0
694.54034	1.0
705.37476	19.2
706.37665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92901	1.6
65.03922	5.3
66.04697	2.0
67.05496	92.8
68.04948	1.6
69.03421	12.7
69.07059	54.9
71.01347	5.7
71.04991	5.6
73.02898	4.7
77.03926	1.9
79.05483	81.0
81.03405	21.3
81.07046	94.2
83.04973	19.8
83.08607	28.7
85.02885	6.3
85.06525	5.5
87.04440	1.8
91.05467	65.7
93.07033	59.6
95.01338	2.6
95.04951	42.6
95.08591	34.5
97.02890	20.3
97.06516	17.3
97.10150	28.6
99.00785	4.8
99.04436	4.3
99.08066	3.7
99.26419	1.6
105.04516	5.3
105.07011	42.3
107.04939	25.4
107.07906	3.3
107.08581	40.5
109.02862	10.4
109.06504	27.9
109.10137	34.5
111.04427	12.1
111.08050	11.1
113.28387	2.2
115.05429	4.9
116.04705	6.2
117.07003	24.4
119.04940	3.2
119.08566	39.7
119.78541	1.7
121.02863	3.9
121.06480	20.8
121.10114	19.7
123.04420	14.0
123.08044	13.1
125.05909	2.2
125.09622	27.9
127.03912	1.8
128.06163	2.8
129.05461	17.4
129.06937	9.7
131.04987	2.0
131.08542	24.2
133.06432	10.0
133.10120	31.3
135.04482	3.7
135.08032	39.2
135.11626	10.8
137.05966	3.4
137.09596	22.5
138.10310	2.7
139.07553	2.0
139.11182	1.8
141.06982	2.9
142.07697	2.2
143.07024	6.2
143.08537	10.4
143.10669	2.4
145.06488	11.3
145.10115	17.5
147.08040	15.3
147.11702	8.6
149.05986	1.9
149.09596	13.3
149.13223	1.9
151.07500	4.4
151.11171	4.7
151.73169	1.9
153.09097	13.8
153.12701	5.8
155.08511	4.9
155.10680	3.0
157.08759	10.7
157.10097	9.7
159.08058	12.9
159.11665	6.1
161.09615	23.2
163.07512	13.2
163.11159	10.9
165.09135	6.9
168.35995	1.8
169.10088	4.0
171.07935	2.6
171.10121	5.5
171.11566	3.5
173.09604	8.0
173.11766	8.6
173.13112	1.9
175.11110	8.3
177.09076	3.4
177.12717	2.1
179.10635	5.3
181.12210	5.0
183.11688	3.5
185.09613	3.4
185.13252	2.8
186.12158	1.8
187.11137	2.4
189.09081	5.3
189.11185	15.6
189.12685	2.9
191.10555	9.4
193.12216	46.5
199.13254	4.1
200.21043	1.8
203.34770	1.6
205.12164	2.0
206.30487	1.6
207.10191	2.5
209.11598	2.6
211.13138	3.1
221.11723	5.7
225.11285	2.1
227.12691	17.2
227.17870	2.8
229.14320	14.4
239.12720	5.3
243.17404	4.0
245.19023	3.4
255.17548	3.0
261.14749	2.0
261.18506	10.4
267.15775	3.4
271.16980	11.9
273.18445	25.0
275.19977	1.8
283.15280	5.6
289.17917	59.0
290.18488	5.4
291.19543	12.2
295.15295	3.8
307.19016	16.2
313.16263	3.1
325.20084	1.9
345.20639	2.4
345.49237	1.9
347.22223	12.0
349.23340	2.6
363.21603	16.0
364.21936	2.0
365.23151	21.4
381.22672	100.0
382.23145	4.7
399.23740	48.8
477.29031	2.1
517.31238	6.0
535.32574	27.2
547.32446	1.8
555.33136	3.5
557.34430	4.2
573.34015	3.5
575.35693	8.7
597.37103	2.2
601.33484	2.6
619.34576	3.2
635.39209	3.7
653.40314	11.9
669.39526	4.6
671.41449	37.7
672.42133	2.1
687.41010	7.8
705.42004	73.9
706.41809	5.5
902.40527	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	904.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
63.21937	1.4
65.03926	4.9
67.05493	43.2
68.64057	0.9
69.03419	6.1
69.07050	20.7
69.10482	6.3
71.04984	5.3
73.02876	1.6
77.03902	1.4
79.05479	54.4
81.03401	11.1
81.07041	73.7
83.04969	11.3
83.08604	17.6
85.02888	6.7
85.06532	2.3
91.05457	38.9
93.07022	38.4
93.07598	2.0
95.04949	29.5
95.08585	21.2
97.02878	3.2
97.06499	7.9
97.10148	22.1
99.04449	2.7
99.08048	2.9
105.04525	2.7
105.07006	29.3
107.04934	16.7
107.08570	32.3
109.02880	3.9
109.06499	13.4
109.10137	12.4
111.04430	10.3
111.08062	6.2
115.05438	4.5
116.06252	1.1
117.06992	19.7
119.04935	2.5
119.07729	2.4
119.08555	32.9
121.06481	13.2
121.10107	12.2
123.04428	2.1
123.08044	22.1
125.09608	21.4
128.06206	2.4
129.01007	2.3
129.06975	8.7
130.07791	1.8
130.98933	1.6
131.08543	17.2
133.06476	6.1
133.10103	15.6
135.04437	1.5
135.08028	20.3
135.11674	8.4
137.05865	1.4
137.09583	8.7
139.07547	1.5
139.11128	1.6
141.06969	1.5
142.07736	1.5
143.08537	7.5
145.06462	6.5
145.10080	15.4
147.08035	10.2
147.11658	6.1
149.09572	10.6
149.13229	1.8
151.11205	1.5
153.04610	1.8
153.09081	3.3
153.12698	5.0
155.08543	2.7
157.10130	7.5
159.08006	6.2
159.11670	6.7
161.09596	12.1
161.13242	1.8
163.07500	8.5
163.11156	18.5
165.09123	5.3
165.12764	1.9
169.10098	2.4
171.05663	4.7
171.08029	1.2
171.10141	2.5
171.11684	3.3
173.09596	5.8
173.13266	1.2
175.11143	5.6
177.12691	3.1
179.10646	2.7
181.12180	5.9
183.11685	2.1
185.09587	1.6
185.13217	2.6
187.11093	3.5
189.11185	16.2
189.12750	2.3
191.10570	5.7
193.12245	3.7
195.11716	1.4
197.09482	1.2
199.05025	1.1
205.12236	1.5
209.11707	2.3
211.13205	1.3
213.16391	1.3
215.16370	1.4
223.13304	3.8
227.12715	19.7
227.17863	2.9
243.17545	2.2
245.13692	1.4
245.18947	3.3
255.17389	3.3
263.19989	1.8
271.16965	5.2
273.18423	36.5
274.18954	1.4
274.95804	1.1
279.15167	2.0
283.15350	5.3
289.17914	12.7
291.19485	72.1
292.19809	1.8
293.20618	1.1
307.18958	1.1
309.16943	1.5
309.20520	9.7
327.49664	1.3
347.21994	12.7
363.21451	1.7
365.23175	43.7
366.23376	1.8
381.22574	4.7
383.19730	2.1
383.24191	17.4
399.19254	100.0
400.19501	3.1
401.20938	3.0
468.50504	1.2
473.05807	1.0
569.28387	6.4
625.30890	3.4
635.38776	1.5
653.39935	3.9
671.36334	8.4
689.37970	58.3
690.38031	6.2
707.27496	2.1
707.39050	32.7
708.38965	2.9
904.46680	6.7
905.45074	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.7
67.05492	37.2
69.03413	5.2
69.07057	30.8
71.04986	4.0
73.02896	1.2
74.13122	0.6
74.20885	0.7
75.00021	1.0
75.79023	0.5
75.88089	0.6
77.03918	1.3
79.05482	43.1
81.03403	11.4
81.07043	68.7
82.07364	0.7
83.04969	8.4
83.08604	15.3
84.81401	0.7
85.02893	5.1
85.06524	1.7
88.97939	0.6
89.01580	0.8
91.05465	40.9
93.07027	35.7
95.01321	1.9
95.04951	22.3
95.08592	19.5
97.02882	3.9
97.06514	6.6
97.10159	13.7
98.22694	1.8
98.24676	0.7
99.00794	3.4
99.04431	2.3
99.08058	2.0
103.05439	2.0
105.03383	1.0
105.04519	2.2
105.07015	29.0
107.04938	19.0
107.08573	26.2
109.02858	6.2
109.06499	13.4
109.10133	9.6
110.97147	0.7
111.04425	5.0
111.08068	5.6
111.73518	0.6
115.05444	2.8
116.06248	1.2
117.01006	1.4
117.06996	18.4
119.04921	2.6
119.06074	0.7
119.08560	30.0
121.02842	1.0
121.06485	14.1
121.10117	13.2
123.04398	3.0
123.08054	15.2
123.11682	1.9
125.09609	11.9
127.03848	0.8
127.07568	0.9
128.06207	3.8
129.01019	1.0
129.06975	11.0
130.07751	1.2
131.02563	0.8
131.04922	1.0
131.08542	19.2
132.05710	0.9
133.00522	1.4
133.06461	6.4
133.10103	19.5
135.04373	1.0
135.08031	17.2
135.11673	7.3
137.05989	1.7
137.09601	6.3
139.07547	2.3
141.06949	2.0
142.07759	1.8
143.08525	9.3
145.04126	0.8
145.06453	5.1
145.10094	18.8
147.08017	11.7
147.11664	5.1
149.05998	1.0
149.09604	13.0
149.13232	1.2
151.11200	3.4
153.09053	4.5
153.12732	2.8
155.02588	0.8
155.08504	2.7
157.06468	1.0
157.10109	8.2
159.08043	7.7
159.11662	7.3
161.09598	17.4
161.13255	1.1
163.07510	8.1
163.11140	10.6
165.09111	1.6
165.12732	1.4
167.08528	1.8
169.10144	3.9
171.08041	2.0
171.10138	1.9
171.11681	5.7
173.07092	0.7
173.09570	4.4
173.11826	0.9
173.13240	2.6
175.11156	5.4
175.14784	0.9
177.09102	0.9
177.12793	1.6
179.10649	2.6
181.10156	2.2
181.12175	1.3
183.11610	1.2
185.09541	1.2
185.13240	2.3
187.11102	3.1
189.09151	2.5
189.11195	5.8
189.12737	1.5
191.10666	2.1
193.07642	0.6
193.12202	17.4
193.51935	0.7
195.11684	1.3
197.07297	3.5
199.11153	2.4
199.14772	1.2
201.12746	1.5
203.10564	0.7
205.12256	1.7
209.13399	0.8
211.11037	0.9
211.13167	0.9
211.14941	1.0
213.12544	1.6
215.14514	0.8
217.12219	1.2
217.15987	0.8
219.13820	1.8
221.11711	1.0
222.91028	0.6
223.09003	0.7
223.13258	2.1
225.11002	0.9
225.16319	1.1
227.12755	7.2
227.14680	0.8
227.17902	2.8
229.14313	0.9
231.13812	1.1
235.13074	0.7
237.16310	1.9
243.17493	2.8
245.19012	2.5
249.14888	1.8
253.16098	0.7
255.17407	4.8
261.18500	3.0
267.15744	0.8
271.16910	4.7
273.18436	32.4
275.20047	0.7
283.15338	2.5
289.17944	22.0
290.18417	1.0
291.19501	36.1
292.19769	1.3
307.18979	4.9
309.16068	6.7
327.17181	2.8
329.21088	0.9
347.22076	8.7
363.21558	11.3
365.23218	2.3
381.22653	100.0
382.22842	4.2
383.19748	30.7
384.20618	0.8
401.20828	48.2
402.21042	1.3
409.27875	0.7
497.26804	0.9
545.38031	1.2
555.33081	3.1
573.33875	2.1
579.36615	1.3
593.31610	0.9
597.37091	1.6
635.39288	4.4
653.40399	10.6
654.41064	1.4
671.41614	7.3
689.37982	47.2
690.37756	3.2
707.39050	45.2
707.49780	0.6
708.38977	2.7
823.01813	0.7
904.47662	0.9
905.47601	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.1
67.05495	46.6
67.06019	1.3
69.03426	4.9
69.07057	11.7
71.01329	0.6
71.04984	4.3
73.02908	2.8
77.03880	1.1
79.05482	40.2
79.88232	0.5
81.03405	39.0
81.07043	49.1
83.04966	10.1
83.08607	18.5
85.02890	24.2
85.06553	2.3
87.04443	0.6
91.03943	8.4
91.05464	32.2
93.07030	38.2
94.07327	0.9
95.04954	20.2
95.08591	30.8
97.02881	7.7
97.06516	5.5
97.10157	4.2
99.04379	1.4
99.08044	1.7
103.05413	0.9
104.07195	0.5
105.04464	1.9
105.07014	23.4
105.44206	0.5
107.04957	5.3
107.08577	20.4
109.02830	0.6
109.06506	4.7
109.09428	0.9
109.10136	12.3
111.04366	2.0
111.07433	0.6
111.08065	6.0
113.05929	1.8
115.05382	1.1
117.07000	5.5
119.04881	0.5
119.08564	21.3
121.06443	1.8
121.09264	0.8
121.10121	15.7
123.08035	3.1
123.10889	0.4
123.11687	4.8
125.09630	2.3
127.03844	2.0
129.06985	8.0
131.08549	15.9
133.06425	1.8
133.10110	13.5
135.07988	1.3
135.11678	7.9
137.09595	2.4
137.13185	1.1
142.07716	2.1
143.08478	1.3
145.04901	2.1
145.06419	0.7
145.10091	5.5
147.07988	2.8
147.10594	0.9
147.11667	12.7
149.09590	4.4
149.13213	4.5
151.11099	0.7
153.12665	0.7
155.08505	0.8
157.10101	9.9
159.11674	3.5
161.09560	0.9
161.13193	1.9
163.05948	1.9
163.11142	1.5
163.14781	1.4
165.12744	2.7
171.11604	1.5
173.09656	0.6
173.13200	3.0
175.11179	8.7
175.14719	0.9
176.11433	0.6
177.12546	0.5
187.14757	2.1
189.11162	0.8
193.12218	24.6
197.13292	0.6
199.14760	0.6
211.13251	33.6
227.12717	1.4
228.97934	0.5
243.21001	3.3
248.92488	0.6
259.20462	0.5
261.22064	9.1
267.15848	9.7
273.18497	1.7
279.15253	0.7
283.15421	0.8
285.16922	44.7
286.17200	1.0
288.58209	0.4
289.17899	1.0
291.19437	1.9
301.25314	0.6
317.24661	2.3
333.10739	0.5
333.24185	0.6
335.25748	67.5
336.26089	1.9
363.21536	0.8
365.23212	0.7
381.22702	0.8
399.19107	2.2
435.32526	1.8
453.33566	1.4
471.34714	1.5
509.35858	0.6
527.37250	12.1
545.38306	100.0
546.38617	3.3
563.39178	0.8
593.32043	0.5
689.38013	1.0
707.38739	1.0
904.37689	5.2
905.37958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.9
67.05499	44.0
68.05817	0.6
69.03423	5.8
69.07062	11.7
69.94756	1.7
71.04990	4.2
73.02913	3.2
74.49553	0.6
77.03955	1.1
79.05486	37.0
81.03033	0.8
81.03409	46.1
81.07047	49.1
83.04975	11.2
83.08611	19.9
83.09085	1.1
85.02892	28.8
85.06539	2.2
87.04489	0.9
91.03955	7.6
91.05467	31.7
93.07035	37.7
95.04961	23.1
95.05594	0.7
95.08595	28.2
95.13445	0.5
97.02879	8.9
97.06528	4.4
97.10149	4.4
98.22827	0.8
99.04409	1.1
99.08104	1.4
99.73221	0.5
105.04511	1.4
105.07020	24.2
107.04946	5.4
107.08583	21.6
108.08909	0.7
109.02825	0.7
109.06512	4.7
109.10147	12.8
111.04433	1.9
111.08070	8.3
113.06008	1.1
115.05442	1.3
117.07001	5.2
119.04960	0.9
119.08562	20.5
121.06487	1.6
121.10128	19.2
121.10973	1.0
123.08057	3.6
123.11678	3.7
125.09650	1.7
127.03915	2.4
127.07590	0.8
129.06996	8.0
131.08553	16.0
133.06500	2.3
133.10117	14.3
135.08118	1.1
135.11676	7.8
137.09608	2.3
137.13237	1.2
142.07805	2.0
143.08574	1.6
145.04980	3.3
145.10091	5.7
147.08055	2.9
147.11661	14.3
149.09604	5.1
149.13228	3.0
151.11188	0.9
153.12712	0.9
155.08456	0.8
157.10106	11.4
159.11681	3.4
161.09624	0.8
161.13237	2.3
163.05920	3.1
163.11209	1.6
163.14835	2.5
165.12772	2.5
169.10162	0.7
171.11687	1.0
173.13263	2.9
175.11168	11.6
175.14793	1.4
187.14810	1.0
189.11223	0.8
191.10722	0.7
193.10750	0.5
193.12225	32.8
211.13268	60.3
212.13718	0.8
227.12868	1.5
243.21072	2.5
261.22150	7.9
267.15897	13.3
273.18491	0.6
285.16937	69.0
289.17688	0.6
291.19586	0.8
301.25253	1.2
317.24545	2.9
333.24393	0.6
335.25769	63.8
336.26233	1.0
340.34863	0.6
381.22791	1.6
399.19409	0.8
401.20959	1.4
435.32629	1.6
453.33655	2.3
471.34564	1.3
509.36038	0.9
527.37225	13.5
545.38306	100.0
546.38483	2.6
563.39520	1.1
671.41193	0.8
689.38647	0.8
707.38354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.9
67.05493	68.6
67.05859	3.4
69.03407	9.3
69.07056	35.3
71.01333	2.1
71.04976	5.8
73.02901	2.6
75.91733	1.3
77.03917	3.0
79.05479	61.9
81.03405	14.5
81.07043	100.0
83.04967	18.9
83.08601	21.1
85.02882	5.1
85.06509	3.5
87.04427	1.9
91.05465	48.1
93.07031	49.8
94.04188	2.3
95.01326	1.4
95.04954	29.3
95.08588	28.1
97.02882	10.8
97.06519	19.2
97.10150	34.6
98.07293	1.7
99.04444	4.5
99.08078	3.3
105.04490	4.2
105.07012	30.1
107.04954	21.3
107.08573	37.3
109.02865	2.9
109.06505	22.1
109.10136	33.3
111.04422	15.7
111.08073	10.9
115.05441	3.2
115.73111	1.4
116.04683	3.7
117.07004	18.0
119.04946	1.9
119.08559	36.1
121.06480	16.0
121.10121	20.4
123.04432	8.2
123.08048	26.5
123.11689	3.7
125.05976	2.5
125.09620	30.7
128.06204	2.6
129.05464	14.1
129.06963	10.1
131.08556	23.4
133.06500	8.4
133.10086	18.4
135.08035	19.1
135.11667	16.1
137.05948	1.5
137.09589	17.3
139.11165	2.8
141.07031	2.0
142.07777	1.7
143.06984	2.8
143.08551	9.6
143.10669	2.8
145.06441	5.2
145.10094	20.1
147.08029	19.2
147.11659	10.7
148.11543	1.2
149.09595	14.5
149.13216	3.3
151.07487	1.7
151.11122	2.2
153.09091	10.5
153.12729	8.9
155.08493	4.0
155.10652	1.8
157.08708	9.9
157.09972	9.7
159.08035	5.4
159.11623	9.7
161.09581	15.4
161.13239	2.6
163.11162	25.6
165.09117	9.2
165.12703	3.9
167.10559	1.5
169.10110	2.9
171.10139	6.0
171.11681	6.0
173.09561	7.5
173.11742	6.5
173.13106	2.2
175.11205	10.1
177.09198	1.5
177.12762	3.8
179.99490	1.4
181.12248	9.9
183.11729	2.9
185.13249	4.4
187.11174	3.3
189.11197	21.6
189.12720	2.5
191.10629	10.1
193.12209	21.3
195.11612	2.7
199.11333	2.5
199.13258	5.0
203.10641	2.5
209.11609	2.0
209.13437	1.7
211.13266	3.5
221.11688	4.3
223.13303	7.7
227.12704	25.8
227.17949	3.5
229.14273	18.5
237.16505	2.7
239.12625	3.5
241.14371	1.5
242.57246	1.5
245.19008	5.5
249.14836	3.4
249.18556	1.6
255.17461	6.0
261.18320	2.2
263.20004	2.1
267.15604	2.9
271.16861	3.1
273.18442	56.3
275.20023	2.4
283.15323	3.9
289.17917	13.9
290.18546	2.2
291.19504	90.5
292.19904	2.9
307.18915	5.6
309.20560	7.4
329.21002	2.3
347.22162	21.4
363.21576	5.6
365.23169	55.8
366.23483	2.8
381.22699	7.1
383.24261	20.5
399.23703	44.1
400.24219	1.9
421.25668	1.7
433.52304	1.5
501.31564	2.6
519.33136	10.7
527.33783	2.4
537.34064	3.4
541.35254	2.2
545.35352	1.6
551.31403	2.3
559.35480	2.7
585.34943	1.6
619.39764	1.7
637.41022	11.4
653.39984	4.5
655.41931	13.1
658.16492	1.7
671.41425	9.7
673.42816	4.5
681.42108	1.6
689.42566	20.9
690.43030	2.4
707.32849	1.6
707.43646	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	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88063	0.7
65.03912	1.9
67.05493	41.4
69.03429	4.6
69.06707	1.0
69.07059	16.6
69.65556	1.2
69.65925	1.8
71.01335	0.8
71.04982	3.7
71.08619	1.8
73.02902	5.4
79.05481	23.5
81.03405	9.8
81.07043	46.7
83.01334	6.5
83.04973	8.5
83.08607	14.9
85.02892	17.3
85.06512	1.6
85.10169	0.9
91.03934	10.8
91.05458	17.0
93.06435	1.3
93.07032	27.3
95.04957	9.0
95.08588	36.4
97.02877	8.6
97.06505	6.0
97.10144	6.9
98.23480	0.9
99.04433	1.9
101.02358	1.3
105.04500	1.2
105.07011	11.7
107.04933	5.3
107.08564	15.6
109.06508	6.3
109.10133	12.6
111.04417	2.3
111.08093	1.9
115.03895	0.8
117.06991	5.6
119.08567	11.5
121.06469	3.2
121.10139	11.6
123.08051	7.1
123.11651	4.4
125.05996	1.5
125.09605	2.2
127.03915	2.8
129.06924	1.0
131.08557	3.8
133.10091	6.5
135.08009	2.2
135.11667	11.6
137.09636	1.7
137.13254	1.6
143.08542	1.3
145.04956	4.0
145.06483	0.8
145.10092	12.8
147.07997	1.6
147.11644	4.3
149.09625	1.4
149.13139	1.7
153.12697	3.0
155.25999	0.9
161.09563	0.9
161.13261	2.7
163.05989	5.6
163.11156	15.6
163.14711	1.2
167.08479	0.9
170.49506	1.0
173.09607	2.2
175.11316	0.8
175.14801	1.9
181.12195	2.0
189.11185	1.1
191.10654	2.1
207.69406	0.8
209.11681	4.3
211.13370	0.9
227.12747	5.5
245.22639	1.9
261.22083	1.3
263.23639	5.5
273.18335	1.0
275.20074	1.3
283.15350	100.0
284.15793	1.8
289.18057	1.0
301.25287	1.2
319.26318	1.9
335.25897	1.7
337.27304	89.0
338.27573	3.3
381.22452	0.8
453.33475	2.0
468.38184	1.0
471.34509	1.2
489.35321	1.4
527.37268	4.0
545.38287	98.1
546.38654	4.2
563.39148	3.9
729.13922	1.1
904.49127	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	905.427
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	6.5
69.03379	0.8
69.07065	2.9
69.63678	1.2
69.64056	1.1
79.05510	3.7
81.03432	1.1
81.07042	7.2
82.64679	0.7
83.04990	1.2
83.08624	0.9
85.20475	0.8
91.05483	4.0
92.05730	0.9
93.07018	3.6
95.04984	2.4
95.08589	2.0
97.06540	2.1
97.10152	1.5
99.30095	0.7
101.20165	0.8
103.05447	0.8
105.07036	2.6
107.04961	1.4
107.08611	2.7
109.06541	1.4
109.10150	3.2
111.08045	1.3
117.07033	1.2
119.08603	2.3
121.06518	1.6
121.10145	1.5
123.08120	0.8
125.09636	1.7
131.00079	0.7
131.08577	1.2
133.09213	0.8
133.10150	3.3
134.10445	1.1
135.08057	0.8
135.11729	1.0
137.09653	1.0
138.08293	0.7
143.08476	0.9
145.10149	2.0
145.89969	0.7
147.11749	0.7
149.01245	1.3
149.09625	0.7
151.11214	1.3
161.09596	1.0
163.11185	1.4
165.09047	0.8
189.11215	1.3
193.12259	1.4
243.21371	0.7
246.21915	0.7
247.04059	0.8
253.14262	1.6
255.09152	3.0
255.14946	1.0
261.09909	0.8
273.10129	2.3
288.22397	0.9
289.17996	1.0
290.18307	0.9
291.19510	1.8
292.19897	1.4
338.76382	0.8
359.35901	0.7
363.14948	1.2
381.10745	0.8
383.24142	1.1
383.41425	0.9
399.24152	1.0
473.17014	1.7
581.23340	2.7
707.43793	1.0
708.43097	1.3
779.35706	0.9
859.71106	0.8
905.42816	100.0
906.43030	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	905.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16368	0.7
67.05502	4.0
69.03407	3.8
69.62499	1.6
69.62891	1.4
73.02924	2.9
79.05485	2.4
81.03425	1.7
81.06637	0.9
81.07050	3.7
85.02892	5.8
91.03951	3.7
91.05495	1.4
93.07047	2.1
95.08621	2.3
97.02880	5.1
98.23499	1.1
99.04468	0.9
101.02394	1.6
105.07042	1.9
107.08601	1.3
109.10114	0.9
111.06137	0.7
119.08582	2.3
127.03963	1.7
129.06999	0.8
135.11711	0.9
141.61946	0.7
243.08411	1.7
304.51703	0.7
337.27344	0.7
338.27710	1.0
347.09259	1.5
405.13528	3.4
465.20807	3.4
519.29211	4.2
546.38977	0.9
627.26355	3.1
645.69904	0.7
681.34570	6.6
743.43799	1.0
905.48560	100.0
906.48682	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	906.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.8
67.05494	45.6
69.03414	4.3
69.07056	23.3
71.04986	4.9
73.02921	0.9
77.03911	1.2
79.05477	55.8
81.03406	12.6
81.07042	89.6
82.07358	0.7
83.04964	12.3
83.08603	17.6
85.02894	4.5
85.06524	2.4
87.04458	0.7
91.05462	43.2
93.01910	0.6
93.07027	44.4
95.01323	1.9
95.04950	28.6
95.08587	24.5
97.02871	2.2
97.06504	7.2
97.10151	22.4
98.22690	1.7
99.04440	2.0
99.08073	2.7
101.01533	0.6
103.05450	1.5
105.03377	1.7
105.04508	2.1
105.07011	33.3
106.07312	0.6
107.04933	22.3
107.08569	27.5
109.06498	17.2
109.10141	13.4
111.04425	12.2
111.08056	9.0
113.01497	0.7
113.06047	0.7
115.05427	2.6
116.01857	0.6
116.06204	1.2
117.01018	1.6
117.07001	21.2
119.04926	2.7
119.08559	36.7
121.05043	0.6
121.06483	11.7
121.10126	19.6
123.04392	1.4
123.08043	29.5
123.11695	1.7
125.06019	0.9
125.09608	21.1
127.03896	0.7
127.07511	0.8
128.06194	4.3
129.01012	1.1
129.06979	13.0
130.07750	1.3
131.02605	1.0
131.04883	1.5
131.08539	22.4
133.00500	1.3
133.06464	7.6
133.10104	15.9
135.04349	1.0
135.08018	10.4
135.11671	12.5
137.05948	1.4
137.09596	7.1
137.49969	0.8
139.03073	0.9
139.07497	0.6
139.11177	1.5
141.06972	2.0
142.07755	3.1
143.08536	12.2
145.00595	0.8
145.06499	3.2
145.08961	1.2
145.10097	22.5
147.08020	17.3
147.11656	9.7
149.09586	18.4
149.13251	2.2
151.11163	1.3
153.09059	4.7
153.12703	5.5
153.32382	0.6
154.07648	0.8
155.05974	0.7
155.08548	3.4
156.09296	1.0
157.06430	1.9
157.10107	10.2
159.08031	4.2
159.11664	9.5
161.09592	14.9
161.13234	2.1
162.09941	0.6
163.11151	19.8
165.09091	4.9
165.12668	1.2
165.61020	0.6
167.08472	1.2
169.10135	2.1
170.10832	0.8
171.07993	1.1
171.10141	2.0
171.11673	7.9
173.09575	4.8
173.13228	2.8
175.11150	7.9
177.09093	1.4
177.12723	2.8
179.10620	1.2
181.10083	2.2
181.12186	5.8
183.11642	1.5
185.09590	2.2
185.13185	4.6
187.11163	3.6
189.11179	14.4
189.12697	2.0
191.10637	5.1
191.14285	1.1
193.10559	0.9
193.12129	4.0
195.11705	2.6
197.07266	4.0
197.13222	0.9
199.11160	2.8
199.14738	1.4
201.12697	0.7
203.10509	0.7
203.14291	0.8
205.12186	2.0
208.12415	0.8
209.11580	1.3
209.13342	1.4
211.14912	1.3
213.12776	1.4
213.16306	1.7
223.13287	5.0
227.12732	17.1
227.17801	3.3
231.13817	1.4
231.17496	1.0
233.15347	1.2
237.16328	2.6
245.13667	1.0
245.18964	6.4
249.14851	3.1
255.17459	7.0
263.20099	1.4
267.15918	0.7
271.16989	0.9
273.18433	58.4
274.18762	2.1
275.20065	1.0
283.15338	4.1
291.19482	100.0
292.19833	3.8
309.16104	6.1
309.20514	7.6
327.17188	2.5
329.21051	2.2
345.20499	0.9
347.22113	21.1
365.23172	40.7
366.23471	1.3
383.19656	36.0
383.24213	19.3
384.19919	1.4
401.20816	42.3
402.21100	1.2
517.30988	1.6
553.28979	1.9
557.34467	0.8
563.37128	1.5
571.29938	1.4
581.37537	1.1
609.31549	2.1
619.39807	3.4
627.31781	0.9
637.40826	9.9
638.41443	0.9
645.40558	0.8
655.42389	8.6
673.38348	27.9
674.38763	2.6
691.39532	31.5
692.39667	2.3
709.40576	19.8
906.45013	3.2
907.44812	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	2.7
67.05498	90.8
69.03419	3.5
69.07055	12.3
69.83498	5.0
71.04988	18.6
73.02890	3.5
79.05484	32.1
81.03418	4.6
81.07046	40.4
83.04956	2.8
83.08623	10.4
85.02888	12.7
85.06528	3.2
87.04468	1.6
91.03931	8.6
91.05464	27.8
93.07030	40.2
95.04952	5.2
95.08601	25.4
97.02872	5.8
97.06531	3.7
97.10133	2.9
99.08105	1.7
105.06998	13.4
107.04925	1.8
107.08577	19.0
109.06541	2.2
109.10145	57.4
111.08073	2.9
117.06993	5.5
119.08569	17.8
121.10124	17.3
123.11643	2.5
127.03903	2.0
131.08537	6.0
133.10130	8.9
135.07968	1.9
135.11684	14.7
137.09608	7.2
143.44469	1.6
145.04939	2.4
145.10121	9.0
147.11682	4.4
149.13263	3.2
155.10599	2.0
159.11662	3.9
161.13187	3.1
163.06003	3.6
163.11087	3.8
163.14798	1.7
173.11734	8.1
173.13171	3.1
175.14764	2.0
181.12244	2.0
187.14751	2.6
193.04825	1.7
193.12253	2.2
211.13214	2.2
229.14308	3.8
236.78908	1.7
255.15932	5.8
261.22098	3.0
266.40289	1.5
275.20221	2.5
285.17038	2.4
287.18484	17.2
288.92624	2.2
291.19547	2.0
312.32425	2.3
335.25818	25.6
357.07666	1.6
471.34573	4.0
489.35696	100.0
490.35931	4.8
503.37421	3.3
515.37213	20.3
533.38214	2.2
539.32117	1.9
547.39874	99.5
548.39954	6.9
691.43811	1.8
906.50305	16.9
907.46167	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	907.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.4
67.05495	5.6
67.11822	0.3
68.05816	0.4
69.03412	3.1
69.07056	2.6
71.01331	0.6
71.04977	1.0
73.02909	3.1
79.05037	0.4
79.05479	5.1
81.03404	2.9
81.07040	7.1
82.07384	0.4
82.42168	0.3
83.04971	1.3
83.08601	1.9
85.02890	5.2
86.52515	0.3
87.04442	0.5
91.03931	2.1
91.05453	4.3
92.05824	0.5
93.07034	4.5
94.07343	0.6
94.42503	0.3
95.04948	2.6
95.08600	2.3
96.05259	0.3
97.02879	5.1
97.06521	0.7
97.10153	1.3
99.00819	0.5
99.04443	1.3
101.02354	1.9
103.05513	0.3
105.04523	0.4
105.07005	2.8
106.07397	0.3
107.04946	1.3
107.08580	3.3
109.02850	1.5
109.06469	1.4
109.10129	1.9
111.08065	0.6
115.03931	0.7
117.06989	1.9
119.08565	2.4
120.08825	0.3
121.06487	0.8
121.10119	1.2
123.04403	0.7
123.08044	0.9
123.11658	0.6
124.08469	0.3
125.09621	1.2
127.03879	1.6
128.06938	0.3
129.06978	0.8
130.98961	0.3
131.08560	1.3
133.10106	2.4
135.08000	1.5
135.11671	1.3
137.09579	0.9
143.08537	0.8
145.04930	0.3
145.06503	0.6
145.10117	1.4
147.08025	0.8
147.11644	0.8
149.09608	0.9
153.08995	0.3
157.10072	0.6
159.11644	0.6
161.09595	0.8
163.07472	0.8
163.11188	1.3
171.11646	0.3
173.09564	0.8
175.07396	0.3
185.04167	0.9
189.09137	0.3
193.12250	1.2
194.12610	0.3
201.03616	0.4
203.05295	0.8
227.12755	0.4
243.08348	5.2
249.10963	1.6
266.26794	0.3
271.16840	0.4
274.18854	0.3
275.20068	0.6
276.20270	0.4
285.16876	0.4
285.71225	0.3
289.18015	1.1
290.18387	0.5
291.19290	0.5
301.09006	0.8
307.19095	0.3
313.08957	0.6
329.17050	0.7
335.25623	0.5
336.26154	0.6
337.26685	0.5
347.09482	0.4
347.18143	0.4
348.87787	0.3
350.24152	0.4
369.15149	0.6
381.22546	0.5
382.23251	0.5
385.19272	0.6
399.19516	0.3
401.19376	0.4
403.20407	0.5
405.13498	1.2
439.19394	1.1
467.18820	1.9
479.19064	0.6
495.18256	0.6
519.29114	1.6
546.38373	0.8
547.25122	2.4
547.38928	0.9
548.39594	0.4
565.25989	3.6
583.22601	4.1
612.33148	0.4
629.23730	0.5
681.34851	1.4
691.38220	0.3
710.38452	0.6
745.40356	0.6
814.31854	0.4
871.43799	0.5
875.46924	0.6
907.42133	100.0
908.42419	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	907.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67397	0.5
67.05502	1.7
69.07079	0.6
69.69959	1.6
70.06603	0.6
79.05501	1.0
81.03432	0.8
81.07065	2.4
83.08627	0.5
85.02881	0.5
91.05482	1.1
93.07058	1.4
95.08634	1.0
97.02881	0.6
98.97578	0.8
99.04507	0.5
103.13789	0.5
105.07050	1.2
107.08624	1.2
109.10172	0.9
112.99139	0.7
115.86939	0.6
128.98645	0.6
131.00143	1.1
133.10208	0.6
145.10156	0.6
149.01234	1.0
177.00716	0.6
199.06483	0.7
205.00386	0.5
217.03616	0.5
239.09509	0.9
241.87813	0.5
243.08961	1.1
255.09033	5.3
255.15823	0.9
257.10913	0.5
267.09161	0.8
269.10654	0.6
273.10010	3.2
278.60242	0.6
285.10248	0.7
293.05475	1.1
295.08615	0.6
297.10086	1.1
311.06631	0.6
347.15469	1.7
363.15024	1.3
365.16476	1.9
381.15549	0.6
447.15265	0.6
473.16998	3.7
529.35455	0.6
530.35718	1.3
548.36627	1.2
581.23334	1.1
583.24841	1.9
664.28271	0.7
849.45819	0.7
889.42999	0.9
907.44476	100.0
908.44702	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04844	0.3
67.05497	4.6
69.03414	4.3
69.07062	1.1
71.01347	0.8
71.04990	0.7
73.02905	5.3
79.05480	3.8
81.03403	2.9
81.07032	4.3
81.07417	0.3
82.07349	0.3
83.04948	0.7
83.08620	0.8
85.02891	7.9
87.04481	0.6
91.03950	4.7
91.05476	1.8
93.07023	3.5
95.04968	1.0
95.08576	2.6
97.02873	7.6
97.03460	0.5
97.06572	0.3
98.22659	0.6
99.04472	1.1
101.02361	2.6
103.03927	0.5
105.07047	1.2
106.36694	0.3
107.04948	0.4
107.08550	1.9
109.02876	0.8
109.06541	0.4
109.10162	1.1
115.03964	0.4
117.07021	0.5
119.08591	1.1
121.06493	0.4
121.10143	1.3
123.08086	0.4
123.11704	0.5
127.03893	2.4
129.06999	0.3
133.10092	0.7
135.11688	0.9
145.04984	0.4
145.10130	0.9
149.13309	0.3
163.11227	1.0
179.16125	0.3
185.04257	1.2
185.38687	0.3
193.98309	0.3
203.05290	0.9
243.08403	2.2
249.10938	0.4
305.13812	0.3
306.70618	0.4
335.26041	1.0
347.09457	2.8
365.10611	1.1
405.13586	5.6
467.18887	4.4
519.29248	4.0
629.24072	2.7
681.34528	6.6
682.35754	0.4
710.42206	0.3
745.41089	1.1
907.46411	100.0
908.46869	8.3
927.13879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	3.6
68.05829	0.3
69.03423	3.9
69.07069	0.9
71.01358	0.6
71.04992	0.5
73.02900	4.0
79.05490	2.7
80.78990	0.3
81.03410	3.0
81.07048	4.2
83.01372	0.6
83.05000	0.6
83.08627	1.0
84.88629	0.3
85.02892	6.6
87.04488	0.4
91.03947	3.9
91.04478	0.3
91.05457	2.0
93.07031	3.3
95.04987	1.0
95.08582	2.1
97.02877	7.0
97.06544	0.3
97.10155	0.5
99.04423	1.4
101.02372	2.3
103.03946	0.4
105.04541	0.5
105.06989	1.4
107.04932	0.7
107.08553	1.4
109.02927	0.8
109.06541	0.6
109.10180	1.0
115.03929	0.8
117.06994	0.6
119.08604	1.2
121.10160	1.1
123.04433	0.4
123.08112	0.5
123.11718	0.3
127.03900	2.2
131.08575	0.6
133.10158	0.8
135.11729	0.9
136.07558	0.3
142.32616	0.3
145.05006	0.5
145.10121	1.1
150.12703	0.3
163.11163	1.4
173.09605	0.4
185.04230	0.9
203.05299	0.8
215.98982	0.3
243.06155	0.5
243.08270	2.1
249.11043	0.4
283.15329	0.5
335.25665	0.5
337.27554	0.4
347.09326	2.4
363.09247	0.5
365.10721	0.9
405.13596	5.3
467.18832	6.8
519.29077	3.6
547.39862	0.5
548.40186	0.7
629.23883	6.1
681.34558	3.9
745.41077	1.5
907.46417	100.0
908.46735	6.3
938.04242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09438	0.4
65.16192	0.5
67.05489	5.2
69.03407	3.9
69.07076	2.3
69.61657	1.7
71.01337	0.6
71.04966	1.0
73.02901	4.1
79.05476	5.5
81.03401	2.9
81.07040	6.5
82.07336	0.7
83.04954	1.0
83.08612	1.2
85.02888	5.6
85.17566	0.4
91.03922	3.0
91.05450	4.1
93.07019	4.2
95.04961	2.0
95.08578	3.7
97.02883	6.1
97.06543	0.7
97.10160	0.8
98.23382	0.8
99.04424	1.0
99.15955	0.4
101.02373	1.6
103.03938	0.4
105.07023	2.7
107.04932	1.3
107.08560	3.0
109.02878	1.1
109.06489	1.0
109.10138	1.6
115.03896	0.4
117.06994	1.5
119.08571	2.3
121.06534	0.6
121.10135	2.2
121.84151	0.4
123.08037	0.7
125.09608	0.6
127.03898	1.1
131.08551	1.4
133.10132	1.6
135.08069	1.1
135.11691	1.8
143.08554	0.7
145.10083	1.2
147.11678	0.7
149.09676	0.6
159.11703	0.6
163.11192	1.3
168.56975	0.5
181.12247	0.6
185.04199	0.9
193.12250	0.7
227.12744	0.8
243.08345	3.8
249.10945	4.5
275.19983	0.8
289.17902	0.9
301.08994	0.4
305.13403	0.6
335.25851	0.9
336.26321	0.9
347.09521	1.3
349.23743	0.6
354.55481	0.5
363.09290	0.7
363.21765	0.7
365.10788	0.7
405.13583	3.1
439.20105	0.5
461.07703	0.5
463.72482	0.4
467.18777	4.1
519.29120	6.0
547.24615	0.9
547.39423	0.8
548.26172	0.5
548.39679	0.7
565.26099	1.4
583.22607	2.1
629.23987	1.9
681.34473	4.9
710.40350	0.6
745.41339	1.2
875.47095	0.8
907.45068	100.0
908.45703	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	907.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94032	0.5
67.05501	2.2
69.03423	2.7
69.07058	1.4
69.56680	1.5
69.62057	0.5
71.04990	1.0
73.02907	3.4
79.05479	2.9
81.03421	1.4
81.07040	3.1
83.08627	1.2
84.01894	0.5
85.02898	4.4
91.03948	2.0
91.05476	2.0
93.07024	3.0
95.04949	0.8
95.08588	1.4
97.02888	4.1
97.06516	0.9
97.10179	0.7
99.04456	1.0
101.02403	1.6
103.03919	0.6
105.07034	1.5
107.04949	0.5
107.08580	1.8
108.08925	0.5
109.02862	0.8
109.06531	1.1
109.10155	0.8
111.08050	0.5
111.99217	0.5
117.07038	1.0
119.08601	1.4
121.06474	0.7
121.10153	0.7
123.04483	0.6
125.09647	0.7
127.03924	1.7
129.05515	2.0
130.68117	0.5
131.08569	0.7
133.10123	1.8
135.08101	1.0
135.11717	1.1
145.05002	0.7
149.09596	1.0
151.11253	0.5
157.04790	0.8
163.11188	0.7
185.04164	3.6
193.12302	0.7
199.05742	0.8
201.03770	1.8
201.14911	0.6
227.05461	0.5
241.07051	0.7
243.08315	4.8
256.15665	0.5
259.07831	1.1
301.08917	12.0
303.07007	0.6
313.08972	1.0
315.10507	3.1
319.18765	0.6
327.10703	1.0
329.12036	0.7
341.12228	0.9
343.13788	0.7
347.18097	3.1
355.13538	1.1
357.15170	1.0
363.21323	0.7
369.15378	1.5
371.16483	1.2
373.11099	4.5
383.16998	1.2
385.18289	7.4
387.12854	1.1
387.21304	1.3
429.17389	1.5
439.19543	1.1
441.17737	0.7
443.19055	0.6
445.22211	1.5
455.18484	2.7
457.20557	0.9
463.23160	1.5
467.19168	0.6
469.20734	0.6
479.18936	0.7
483.17996	1.1
484.18625	0.6
491.22635	0.9
497.19748	3.1
501.31158	0.5
513.26788	0.7
521.93152	0.6
528.21765	1.1
530.35339	0.7
537.26917	0.7
539.28064	1.0
547.32446	0.7
553.22577	0.8
555.20935	0.6
565.26031	8.7
567.28235	1.2
581.29456	8.9
582.29779	1.0
583.28845	0.9
593.63446	0.7
596.27716	2.3
597.29730	0.6
609.28827	0.7
612.31299	0.9
637.27942	3.4
639.30029	0.9
651.31256	1.2
653.30688	0.7
656.98737	0.6
665.31696	1.5
680.37531	1.4
707.36261	1.1
708.36823	0.8
725.36542	0.7
749.36780	4.2
751.37610	0.6
809.06940	0.7
821.39038	2.2
889.46252	2.8
893.97626	0.7
907.46631	100.0
908.46844	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	909.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86689	0.3
67.05501	3.1
69.03432	2.4
69.07054	1.7
70.06604	0.4
70.18883	0.9
71.04971	0.6
73.02908	2.6
79.05486	3.9
81.03403	2.1
81.07045	4.1
83.04995	1.0
83.08618	0.7
85.02892	3.7
86.06130	0.3
91.03957	1.6
91.05469	2.5
91.32329	0.3
91.98504	0.4
93.07026	2.8
93.07484	0.3
94.61414	0.3
95.04963	1.6
95.08614	1.8
97.02884	3.9
97.06524	0.4
97.10163	1.1
98.19427	0.3
99.04450	0.8
101.02391	1.3
105.06416	0.3
105.06999	1.7
107.04980	1.0
107.08559	2.7
109.02889	0.9
109.06535	0.5
109.10163	0.7
111.04455	0.6
117.07033	1.0
119.08588	1.5
121.06501	0.5
121.10146	1.3
123.08072	1.2
125.09648	1.2
127.03889	0.8
129.07047	0.5
131.08543	0.9
133.06465	0.7
133.10152	1.1
135.08017	1.7
135.11697	1.0
137.09592	0.8
145.10098	0.8
147.08124	0.5
149.09691	0.4
150.54466	0.4
159.08049	0.4
161.09712	0.4
163.07689	0.5
163.11176	0.7
173.09599	0.5
191.10803	0.4
243.08327	4.2
259.85849	0.3
270.11057	0.3
273.18640	0.5
277.57303	0.3
291.19482	0.4
301.09021	0.9
349.20020	1.6
369.15283	0.6
371.17105	0.4
373.11139	0.5
385.19333	0.8
405.22733	0.7
451.19455	0.5
497.20044	0.5
547.25128	2.9
549.26691	0.7
567.27472	2.9
583.22754	6.0
655.24683	0.6
873.45465	0.5
909.43549	100.0
910.43683	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	909.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.3
69.03423	2.2
69.07063	1.5
69.21107	1.6
71.01363	0.4
71.05008	0.4
73.02914	2.3
79.05478	3.6
81.03422	1.3
81.07041	4.3
83.04990	0.7
83.08626	0.8
83.19903	0.2
85.02892	3.4
85.03311	0.2
85.06514	0.3
87.04521	0.3
87.26426	0.3
91.03953	1.4
91.05472	3.1
93.07025	2.6
95.04948	1.4
95.08608	1.8
95.48729	0.2
97.02887	2.8
97.06487	0.3
97.10170	0.8
99.04451	0.6
101.02396	1.2
105.07027	2.0
107.04983	1.0
107.08582	1.7
109.02889	0.7
109.06523	0.7
109.10193	0.8
111.04456	0.7
115.03990	0.3
115.18068	0.2
117.07059	1.1
119.08568	1.7
121.06501	0.7
121.10111	1.3
123.08084	1.0
124.06995	0.2
125.09677	0.9
127.03960	0.9
129.07002	0.6
131.08595	0.8
133.10173	0.9
135.08057	0.7
135.11731	0.5
136.00201	0.3
137.09657	0.5
143.08588	0.4
145.10139	0.9
147.08101	0.7
147.11679	0.6
149.09636	0.6
153.09245	0.3
153.12772	0.4
157.10147	0.4
159.08061	0.3
161.09590	0.7
163.11201	0.8
165.09169	0.3
171.11742	0.3
175.11340	0.3
185.04242	0.6
189.11234	0.4
197.07294	0.4
201.03835	0.3
241.06825	0.3
243.08382	3.9
243.10550	0.4
249.10884	0.3
259.30719	0.3
273.18579	0.5
289.17886	0.3
291.19595	0.4
301.08871	0.5
301.17789	0.3
315.10394	0.4
317.13708	0.3
331.18793	1.5
347.18228	0.7
367.16614	0.4
369.15201	0.7
387.21518	0.8
403.20758	0.4
439.19159	0.7
467.18994	1.0
479.18893	0.4
546.74396	0.3
549.26660	4.2
565.26074	4.8
566.26215	0.3
585.24420	3.1
730.37860	0.3
739.38867	0.4
747.38715	0.3
753.11163	0.4
873.46088	1.2
909.43579	100.0
910.43793	7.3
941.45581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	0.9
69.03424	0.4
69.07087	0.4
70.06569	0.4
72.83653	0.3
75.02322	0.3
79.05483	0.7
81.07066	0.8
97.02895	0.5
98.97597	1.2
112.99168	0.8
116.98653	0.5
119.08601	0.4
128.98598	0.4
131.00200	1.4
149.01193	1.6
152.98445	0.3
158.99774	0.4
177.00729	0.6
185.01167	0.4
199.02835	0.5
213.08043	0.5
225.08197	0.5
229.07574	0.4
239.09482	0.4
241.11156	0.5
243.08931	1.2
247.08455	0.4
255.08994	3.4
259.12161	0.4
267.09207	1.1
269.10858	0.5
273.10025	1.8
285.09970	0.8
293.05588	1.1
295.08582	0.7
297.10196	1.2
311.06366	0.4
329.14322	0.7
347.15176	3.4
353.16449	0.6
365.16284	3.0
365.20309	0.4
447.15738	1.0
461.17029	0.4
473.16705	2.5
485.16772	0.6
514.17072	0.7
565.23407	1.2
583.24384	5.1
601.25000	0.7
636.40442	0.4
677.30450	0.4
822.36981	1.0
873.41840	0.4
891.44562	1.1
909.45959	100.0
910.46356	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	909.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.0
69.07057	0.9
71.05003	0.5
79.05492	1.9
81.03442	1.3
81.07053	2.5
83.08624	0.6
85.02911	0.8
91.03942	0.7
91.05504	0.6
93.07051	1.5
95.04962	0.7
97.02873	1.1
98.97594	0.9
105.07044	0.7
107.08566	0.6
109.06498	0.6
109.10137	0.5
111.04396	0.5
116.98630	0.8
119.08571	1.0
121.06540	0.8
123.08102	0.6
131.00157	1.0
131.08571	1.0
133.10141	0.7
149.01202	1.2
159.11594	0.6
167.02419	0.5
200.00801	1.0
204.35231	0.6
209.22380	0.5
210.21815	0.5
217.01111	0.6
229.07591	1.1
243.02727	1.2
243.08621	1.3
255.09120	1.6
257.07098	0.7
267.09076	0.8
273.10217	1.2
285.09973	0.6
293.05533	1.3
301.09097	1.3
306.59247	0.6
317.06335	1.6
347.15311	1.1
349.16730	3.6
365.16275	1.4
376.07773	0.7
385.18777	0.6
389.08597	1.7
401.15634	4.1
445.14709	0.6
447.15735	0.7
457.13702	0.6
459.16187	0.8
460.17047	1.2
473.17697	1.0
493.21854	2.5
501.17261	5.2
515.19128	1.1
531.30988	2.2
557.19733	3.1
567.25391	2.6
577.31281	1.0
581.28162	1.0
583.23846	1.8
585.26489	4.0
599.28430	1.1
626.27130	2.6
639.27655	4.2
641.28955	3.2
653.29297	1.3
667.30786	2.2
709.35614	1.0
710.36224	1.9
736.82568	0.6
751.36536	6.3
765.38885	0.8
823.38501	2.6
891.45227	3.1
907.08459	0.7
909.46130	100.0
910.46637	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	909.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.2
67.05495	3.2
69.03423	4.3
69.07060	0.8
71.01354	0.6
71.04989	0.6
71.64556	0.2
72.49266	0.2
73.02911	4.7
79.05486	3.2
81.03419	2.3
81.07053	3.9
81.07504	0.3
83.04965	0.3
83.08615	0.4
83.51811	0.2
85.02895	6.4
87.04470	0.6
91.03944	4.6
91.04482	0.3
91.05470	2.5
93.07034	2.2
95.04931	1.2
95.08598	2.7
97.02878	7.3
97.06534	0.3
97.10140	0.3
97.98551	0.2
99.04422	1.2
103.03971	0.4
105.04525	0.3
105.07016	1.4
107.04934	0.2
107.08595	1.3
109.02891	0.9
109.06510	0.5
109.10165	0.5
115.03923	0.5
117.07053	0.4
119.07870	0.2
119.08534	1.1
121.10161	1.1
123.08086	0.4
123.11723	0.5
123.92131	0.3
127.03905	1.6
129.07011	0.5
131.08575	0.9
133.10162	0.8
135.11728	0.6
145.05017	0.5
145.10132	0.5
147.11725	0.6
157.10213	0.3
159.11700	0.3
175.11279	0.3
181.82642	0.2
185.04289	0.8
193.12207	0.5
201.03719	0.3
203.05359	0.8
243.08354	2.3
251.12668	0.3
259.07990	0.3
278.78012	0.2
301.08923	0.4
305.08386	0.2
335.25980	0.7
347.09509	2.7
349.79245	0.2
363.08951	0.2
365.10623	0.8
405.13654	6.6
405.18677	0.4
469.20477	4.0
519.29272	5.6
522.08759	0.2
631.25397	2.6
632.25696	0.3
681.34625	6.4
682.34747	0.3
747.42444	1.3
874.20880	0.2
909.47949	100.0
910.48352	7.1
919.89172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.4
65.38910	0.3
67.05496	4.0
69.03421	4.4
69.07075	1.1
71.01349	0.5
71.04999	0.8
73.02903	4.5
73.86976	0.3
79.05479	3.5
81.03413	2.9
81.07051	3.6
82.07392	0.3
82.90620	0.3
83.04998	1.2
83.08630	0.9
85.02895	7.5
91.03941	3.9
91.04394	0.3
91.05466	3.3
93.07022	2.6
95.04959	1.5
95.08585	2.0
97.02881	6.9
97.03465	0.5
97.06560	0.3
97.10165	0.5
97.45571	0.4
99.04475	0.8
105.07027	2.3
107.05003	0.7
107.08598	1.7
109.02901	0.8
109.06551	0.9
109.10180	1.0
111.04527	0.3
115.03963	0.5
117.07037	0.5
119.08590	1.6
121.10172	1.2
123.08154	0.3
127.03890	2.1
129.07010	0.4
131.08586	0.8
133.10167	1.2
135.11690	0.5
145.03664	0.3
145.05003	0.6
145.10141	0.4
147.08070	0.4
147.11728	0.9
149.09671	0.5
157.10162	0.8
163.11215	0.4
175.11241	0.6
185.04286	1.2
193.12321	1.1
203.05365	0.5
211.13245	0.6
213.93689	0.3
243.08289	2.6
245.78502	0.3
251.12704	0.7
254.81317	0.3
270.12704	0.3
283.21146	0.3
307.15082	0.4
335.25922	0.5
347.09427	2.0
363.08847	0.4
365.10660	0.9
405.13577	5.1
406.13690	0.3
421.13736	0.3
440.23566	0.3
469.20370	6.9
487.94791	0.3
519.29230	4.0
565.25964	0.5
631.25659	5.9
681.34467	4.1
694.40045	0.4
747.42578	1.4
823.42267	0.4
909.47943	100.0
910.48218	6.3
931.73267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64117	0.4
65.13759	0.5
67.05490	2.7
67.46582	0.4
69.03423	2.8
69.07055	1.7
69.94013	1.3
70.06585	0.6
71.04979	0.7
73.02910	3.0
73.99593	0.5
76.31606	0.4
79.05474	2.3
81.03427	1.6
81.07043	3.0
83.01073	0.5
83.04961	0.9
83.08616	1.0
84.01891	0.5
85.02887	4.9
85.06544	0.6
91.03952	2.7
91.05488	1.6
93.07047	1.7
95.04975	0.8
95.08617	1.0
97.02876	3.8
97.10167	0.9
98.54234	0.5
99.04432	0.7
101.02395	1.5
103.03956	0.8
105.07018	1.5
107.04977	0.9
107.08596	1.4
109.02810	1.2
109.10128	1.3
111.04437	0.7
117.05501	0.6
119.08562	0.7
121.02569	0.5
121.10098	0.9
123.08073	1.0
125.09648	1.2
127.03923	1.7
129.05501	2.2
131.08533	0.6
133.10136	0.9
135.08009	0.5
135.11754	0.5
141.44542	0.4
145.10144	0.8
147.07965	0.5
149.09615	0.6
157.27846	0.5
163.11232	0.6
167.10706	0.5
181.04762	1.4
184.03371	0.7
185.04158	4.3
185.05374	0.4
199.05893	1.0
201.03760	2.0
203.05318	0.5
241.06865	1.0
243.08374	5.3
259.07977	0.8
291.19476	0.7
291.93167	0.6
301.08875	11.9
301.39191	0.4
313.09064	1.6
315.10458	4.4
327.10648	1.1
329.12335	0.8
341.12186	1.4
343.13525	0.6
349.19812	4.5
355.13632	0.9
369.15198	1.4
371.16824	1.9
373.11029	4.6
375.21387	1.1
383.16904	1.5
385.18262	9.1
387.12537	1.0
389.23053	1.5
405.22775	0.9
413.17807	1.1
425.17783	0.8
429.17371	0.7
443.18994	1.9
444.19504	0.8
447.23624	3.1
451.19568	1.0
455.18674	1.1
457.20593	1.7
465.24820	0.8
467.19339	0.6
469.20566	1.1
480.18723	0.6
485.19775	6.6
493.24393	1.1
497.20334	1.7
499.21582	1.1
511.21603	0.9
527.28406	0.9
531.32904	1.9
540.21698	0.7
557.22125	4.5
567.27765	11.2
568.27698	0.9
569.29376	2.3
577.33728	0.7
582.27069	0.6
583.27759	2.0
608.28143	1.6
609.28723	0.7
611.30963	0.7
626.29364	1.2
639.29865	4.6
641.31458	4.5
642.32300	0.6
653.31085	1.3
667.33185	2.0
681.35095	0.7
692.37305	1.0
709.37390	2.1
710.38220	1.8
751.38617	4.7
793.39557	1.1
823.40955	1.4
891.47064	2.6
909.48010	100.0
910.48187	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	909.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.3
69.03413	2.8
69.07056	2.1
69.38818	1.3
70.06580	0.4
71.04970	0.9
73.02906	2.8
78.66985	0.2
79.05482	2.4
81.03403	1.4
81.07039	2.9
83.01060	0.5
83.04970	1.1
83.08610	0.9
84.01880	0.4
85.02887	4.6
85.54506	0.2
87.04438	0.3
89.47885	0.2
91.03949	2.4
91.05451	1.6
93.07040	2.0
95.01083	0.4
95.04955	1.2
95.08609	1.3
96.01851	0.6
97.02879	4.2
97.06517	0.9
97.10150	1.3
99.04456	0.7
103.03947	0.6
105.07011	1.1
107.04945	0.4
107.08571	1.3
109.02858	1.0
109.06516	0.4
109.08282	0.2
109.10149	0.9
111.04432	0.6
111.08067	0.2
115.03934	0.5
117.05505	0.7
117.07053	0.5
119.08597	0.8
121.02654	0.3
121.06501	0.5
121.10089	1.4
123.04271	0.8
123.08057	0.5
125.09599	1.2
127.03856	1.2
127.11173	0.5
129.05443	2.0
129.06985	0.3
131.08580	0.8
133.10117	0.7
135.08099	0.6
135.11667	0.6
139.03719	0.4
145.04938	0.5
145.10146	0.5
147.08040	0.3
147.11693	0.6
149.09628	0.9
156.03915	0.5
157.04678	0.3
159.98068	0.3
163.11177	0.5
167.10698	0.5
173.11830	0.3
174.34912	0.2
181.04749	1.2
184.03415	0.6
185.04172	6.3
190.11858	0.3
191.10591	0.5
193.12247	0.5
199.05743	1.3
201.03676	2.8
201.07561	0.3
201.14836	0.6
203.05257	0.8
203.10320	0.3
227.05267	0.4
229.14375	0.3
233.11490	0.4
241.06873	0.8
243.08331	5.9
249.11353	0.3
259.07990	0.9
261.11099	0.3
265.14224	0.7
279.12070	0.6
283.15308	0.3
301.08878	16.6
313.08829	1.6
315.10428	4.5
319.18774	0.6
327.10638	1.1
329.12183	0.7
331.18842	0.9
341.12051	2.0
343.10016	0.5
343.13788	1.0
349.19785	7.8
349.23926	0.6
350.20300	0.3
355.13440	1.4
357.15244	1.5
357.49142	0.3
360.10455	0.7
369.15219	1.3
371.16760	1.6
373.10931	5.2
373.15118	0.4
375.21582	0.5
383.17010	1.5
385.10944	0.5
385.18265	11.8
386.18817	0.4
387.12570	1.3
389.23041	2.1
395.17242	0.3
401.13995	0.4
405.22406	1.0
413.17920	0.9
415.15765	0.7
423.19705	0.4
425.17813	1.3
427.19296	0.5
429.17068	1.4
439.19254	0.4
441.17114	0.6
443.18808	2.3
444.19879	0.8
447.23343	3.4
451.19379	0.7
452.20172	0.3
455.19006	0.8
457.20425	2.2
461.25067	0.9
465.24612	0.8
467.18668	0.7
469.20364	0.8
471.21902	0.3
477.24597	0.3
483.22476	0.4
485.19736	6.0
493.23911	3.0
497.19489	1.8
499.20996	1.6
503.29886	0.3
511.21262	0.5
525.20581	0.2
527.20807	0.5
527.28534	0.6
531.32697	3.2
539.20581	0.5
540.21716	0.9
557.21991	4.0
557.29517	0.4
558.22772	0.4
565.25854	0.6
567.27710	11.1
568.28119	0.3
569.29242	2.8
577.33289	0.8
582.26685	0.4
583.27148	1.6
595.30829	0.8
608.27960	1.5
609.28864	1.0
611.30383	0.8
623.30298	0.5
624.30945	0.8
626.29083	1.3
639.29657	7.0
641.31372	4.6
642.31909	0.7
651.33026	0.4
653.31305	1.4
667.32825	2.2
681.34601	1.6
692.37439	1.4
693.38202	0.5
695.35767	0.7
709.36963	2.0
710.38354	1.9
727.38586	0.8
739.37701	0.6
749.40387	0.4
751.38776	5.2
752.39252	0.3
755.33844	0.3
765.39667	0.6
777.41138	0.3
778.37189	0.3
793.39508	0.9
794.38708	0.3
805.40735	0.5
807.41388	0.4
823.40704	1.8
891.47015	2.5
909.48022	100.0
910.48389	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	911.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52499	0.3
71.04982	0.5
73.63617	0.1
81.03403	20.7
81.07055	0.2
82.03728	0.2
83.01314	0.2
85.02892	0.5
97.02876	11.4
99.04415	0.9
109.02859	100.0
110.03201	0.7
121.02837	0.2
127.03892	32.4
128.04158	0.2
139.03880	4.5
145.04898	0.2
169.04932	29.4
183.20425	0.2
187.06052	0.2
211.05984	2.5
229.06990	0.3
270.11807	0.2
271.07944	0.3
273.43634	0.2
287.05447	4.2
331.06448	0.2
331.10080	1.0
361.68231	0.2
478.17245	0.1
496.93878	0.2
559.67419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
66.56772	0.2
67.05492	3.0
67.05812	0.2
69.03423	2.7
69.07059	2.2
71.01350	0.4
71.01711	0.2
71.04965	0.4
73.02905	2.4
79.05475	4.2
81.03414	1.6
81.07040	4.8
81.07481	0.3
83.04982	0.7
83.08597	0.9
85.02892	3.3
85.03390	0.2
85.06529	0.2
87.04466	0.4
91.03946	1.7
91.05463	2.3
93.07026	2.7
95.04952	1.5
95.08602	1.5
97.02882	3.6
97.06552	0.6
97.10159	1.0
99.04434	0.8
101.02367	1.4
103.03947	0.2
105.04522	0.2
105.07014	2.0
107.04932	0.9
107.08579	1.7
109.02903	0.6
109.06478	0.9
109.10163	0.7
110.85478	0.2
111.04431	1.0
111.08068	0.5
115.03966	0.3
116.35871	0.2
117.07024	0.8
119.08562	2.0
121.06536	0.7
121.10146	1.3
123.08038	2.1
123.08746	0.2
125.09587	1.2
127.03902	1.1
129.05463	0.3
129.07036	0.3
131.08548	1.4
133.06540	0.3
133.10162	0.8
135.08063	0.4
135.11667	0.8
137.09636	0.3
143.08563	0.6
145.10114	1.3
147.08104	0.6
147.11717	0.5
149.09665	0.8
153.09067	0.3
153.12784	0.4
157.10162	0.5
159.11751	0.5
161.09656	0.5
161.13319	0.2
163.11235	0.7
171.11707	0.3
175.11258	0.2
185.04265	0.7
185.09714	0.3
185.13342	0.2
189.11227	0.6
191.10690	0.2
196.53351	0.2
197.07329	0.2
203.05348	0.6
227.12921	0.2
243.08363	3.5
243.10474	0.2
255.10817	0.2
255.17445	0.3
259.07739	0.3
273.18539	0.7
291.19519	0.9
301.08737	1.0
313.09003	0.4
315.10507	0.3
331.18634	0.9
349.19824	2.3
362.96478	0.2
367.16586	0.6
369.15192	0.3
371.16843	0.4
383.16931	0.5
385.18091	0.4
387.21512	0.7
401.14490	0.2
405.22440	0.5
451.19650	0.4
467.19019	0.2
497.20114	0.4
549.26672	4.7
549.34515	0.3
550.27283	0.2
567.27722	4.0
568.28198	0.2
585.24280	4.0
621.28949	0.3
657.26660	0.6
875.47577	1.5
911.45099	100.0
912.45453	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	911.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	4.5
69.03428	2.6
69.07070	2.2
70.69825	0.8
71.24999	0.8
73.02920	3.5
75.29237	0.7
79.05493	2.5
81.03416	2.1
81.07050	3.9
83.04969	1.4
83.08641	1.5
85.02894	5.9
91.03938	2.3
91.05476	3.1
93.07047	2.7
95.04955	2.5
95.08591	1.9
97.02878	5.5
97.06564	0.9
101.02408	1.2
105.07033	1.6
107.04945	1.5
107.08605	2.2
109.06478	1.0
109.10175	1.9
111.08044	1.2
117.07030	1.2
119.08583	1.9
121.10160	1.2
127.03924	1.3
129.05571	1.1
133.10138	1.3
145.10089	1.3
149.09639	1.2
163.11133	0.8
185.04292	3.4
193.22873	0.9
199.05740	1.1
201.03624	1.6
243.08386	4.3
251.12555	1.1
259.07944	1.0
265.14294	1.0
286.56244	0.8
301.08899	11.7
304.64981	0.9
315.10568	3.6
327.10638	0.9
333.20520	3.7
341.11859	1.3
357.15265	1.2
371.17084	1.4
373.11218	3.0
383.16409	1.0
385.18301	8.5
429.17502	0.8
431.24112	1.7
439.19446	0.9
443.19009	1.9
444.19501	1.6
457.20541	1.9
477.24545	2.1
481.20264	1.6
485.19714	5.4
499.21750	2.6
515.33661	2.1
541.22485	2.8
551.28333	9.2
567.26385	1.0
569.29346	3.5
593.29352	1.1
610.29651	1.6
623.30298	6.5
625.32056	3.5
651.33722	2.8
665.34839	1.5
693.38202	2.4
694.39246	1.3
735.39105	5.0
851.41003	0.9
875.45972	2.0
893.43628	1.9
911.44727	100.0
912.45331	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	912.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.2
67.05493	13.7
69.03454	2.1
69.07065	8.2
69.28066	1.0
71.01353	2.4
71.04987	3.7
71.08624	13.4
72.44753	1.0
79.05481	12.9
81.03403	13.9
81.07044	17.3
83.01329	1.2
83.04974	6.5
83.08608	10.1
85.02899	8.1
85.06562	1.7
85.10175	8.8
91.03953	4.1
91.05471	9.6
93.07041	14.5
95.04963	5.2
95.08588	15.6
97.02875	9.1
97.06528	4.9
97.10154	4.7
99.04417	1.8
105.07018	5.0
107.04945	11.3
107.08584	7.1
109.06535	3.9
109.10161	5.4
111.04435	11.7
117.07024	4.5
119.08598	6.3
121.06505	2.9
121.10151	4.0
123.04411	1.2
123.08061	4.0
123.11706	1.7
125.05988	3.2
125.09571	1.7
127.03896	1.8
129.07065	1.6
131.08571	4.9
135.08051	2.5
135.11684	9.7
137.09621	1.3
139.07510	1.2
145.04955	1.2
145.10097	11.7
147.07977	1.8
153.12741	6.7
155.08549	1.8
163.06049	2.0
163.11151	16.4
173.09628	5.4
181.12173	2.7
191.10660	10.4
205.12047	1.4
209.11673	7.3
223.13293	10.0
227.12616	6.1
241.14323	21.5
257.24707	2.2
265.14343	15.2
275.34174	1.1
278.05594	1.1
283.15356	26.3
287.54922	1.0
297.16968	1.3
313.27328	72.8
314.27744	1.5
315.17993	43.9
403.45309	1.6
483.82272	1.2
503.37250	12.2
521.38324	100.0
522.38831	5.7
535.39618	2.2
553.40906	64.6
554.40900	3.2
912.49536	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	914.5667
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	12.3
69.03422	2.3
69.07062	7.8
69.40504	2.2
69.40896	2.2
71.04972	1.5
71.08625	21.1
71.09023	1.1
71.09508	0.7
73.02919	1.4
79.05486	6.6
81.03407	65.2
81.07045	18.7
83.04971	3.5
83.08608	18.5
85.02901	6.8
85.10178	12.4
89.06034	1.8
91.03968	4.6
91.05461	10.5
93.07030	7.0
95.04953	18.2
95.08586	16.7
97.02885	4.6
97.06538	1.5
97.10150	5.1
98.22746	2.0
99.11688	1.3
103.07535	1.0
104.98746	0.9
105.07009	8.9
107.04955	4.5
107.08557	3.4
109.06508	1.4
109.10144	7.9
111.04427	1.1
111.08104	5.7
112.64262	0.9
115.05453	1.2
119.08572	9.3
121.06474	2.0
121.10119	3.8
123.04462	1.6
123.11673	3.9
125.09600	0.9
127.03912	1.4
129.06963	6.8
131.08531	5.6
133.06485	2.0
133.10117	3.2
135.11623	1.0
137.09669	1.1
137.13303	1.0
142.07794	2.4
143.08705	0.9
145.04900	1.3
145.10039	1.7
147.04399	1.2
147.08020	2.9
147.11699	5.7
149.09595	2.6
157.10081	7.5
163.06013	2.1
163.11145	1.6
165.12671	1.2
175.11127	6.2
177.96252	0.9
193.12209	27.6
205.12236	1.2
211.13298	1.5
235.13255	1.2
239.23610	2.5
249.14758	2.6
257.24719	1.5
259.13300	1.1
265.76071	1.0
267.15866	100.0
268.16071	1.7
273.14957	1.2
301.14279	1.2
309.16983	2.7
313.27332	96.1
314.27747	2.1
319.15353	1.2
324.45844	0.9
372.79144	1.0
453.24133	1.0
465.28296	1.0
505.38831	76.6
506.38992	2.8
523.39642	1.5
547.39923	6.4
555.40222	2.6
589.40771	1.4
601.40436	2.0
608.22552	1.1
613.40240	1.4
631.41296	2.6
914.49066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.9
67.05492	55.4
69.03416	4.4
69.07053	11.2
69.17764	5.1
71.01325	1.7
71.04985	3.7
71.08616	21.8
73.02904	3.6
79.05478	21.3
81.03410	5.9
81.07043	29.1
83.04965	5.4
83.08608	18.7
85.02888	22.5
85.06527	2.3
85.10159	13.1
87.04456	6.0
88.11295	0.9
89.06012	1.3
91.03929	5.5
91.05460	11.5
93.07037	13.8
95.04936	5.0
95.08590	26.5
96.04495	1.1
96.08933	0.9
97.02878	8.4
97.06537	2.4
97.10149	23.3
97.10734	1.7
99.04451	1.2
101.02411	1.0
101.09653	1.1
103.03914	2.0
105.07000	4.5
107.04935	3.3
107.08572	11.3
107.09151	1.1
107.09914	0.8
109.02884	1.1
109.06482	1.6
109.10133	42.5
110.25584	0.8
111.04422	1.6
111.08054	2.6
115.03876	1.3
117.06998	3.2
117.23941	0.8
119.08560	5.3
121.06449	1.3
121.10111	5.4
123.08015	2.2
123.11647	4.9
125.09605	18.6
126.97318	0.9
127.03894	2.8
129.05525	1.0
131.08556	3.7
133.10117	2.7
135.08060	1.6
135.11684	4.2
137.09636	2.0
137.13211	1.5
143.10620	4.4
145.04921	3.1
145.10085	2.7
147.11668	2.1
149.09554	1.1
153.12680	1.5
155.08574	1.2
155.10661	2.4
157.40820	1.0
163.06001	2.5
163.11160	4.3
173.11703	10.1
181.12292	1.9
191.10593	2.1
193.12265	0.9
196.24162	1.0
199.13219	11.0
199.14824	1.1
209.11659	6.2
223.13275	1.6
227.12732	12.6
229.14299	46.7
239.23593	3.9
241.74530	0.9
253.01692	1.2
257.24820	1.7
261.21927	1.1
267.15842	1.9
283.15347	6.9
297.16888	4.3
299.14929	1.9
300.15234	1.7
301.05444	0.9
301.16394	35.2
313.27298	100.0
314.27591	2.9
335.25729	11.3
341.26715	1.9
437.36069	6.1
455.37265	15.3
462.66302	1.0
463.21451	2.0
467.30765	1.6
467.37268	27.3
489.35501	3.3
505.38943	1.3
521.38348	3.5
539.39343	17.7
557.39246	8.4
574.93353	1.0
739.76019	1.1
916.48975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.9
67.05492	55.4
69.03416	4.4
69.07053	11.2
69.17764	5.1
71.01325	1.7
71.04985	3.7
71.08616	21.8
73.02904	3.6
79.05478	21.3
81.03410	5.9
81.07043	29.1
83.04965	5.4
83.08608	18.7
85.02888	22.5
85.06527	2.3
85.10159	13.1
87.04456	6.0
88.11295	0.9
89.06012	1.3
91.03929	5.5
91.05460	11.5
93.07037	13.8
95.04936	5.0
95.08590	26.5
96.04495	1.1
96.08933	0.9
97.02878	8.4
97.06537	2.4
97.10149	23.3
97.10734	1.7
99.04451	1.2
101.02411	1.0
101.09653	1.1
103.03914	2.0
105.07000	4.5
107.04935	3.3
107.08572	11.3
107.09151	1.1
107.09914	0.8
109.02884	1.1
109.06482	1.6
109.10133	42.5
110.25584	0.8
111.04422	1.6
111.08054	2.6
115.03876	1.3
117.06998	3.2
117.23941	0.8
119.08560	5.3
121.06449	1.3
121.10111	5.4
123.08015	2.2
123.11647	4.9
125.09605	18.6
126.97318	0.9
127.03894	2.8
129.05525	1.0
131.08556	3.7
133.10117	2.7
135.08060	1.6
135.11684	4.2
137.09636	2.0
137.13211	1.5
143.10620	4.4
145.04921	3.1
145.10085	2.7
147.11668	2.1
149.09554	1.1
153.12680	1.5
155.08574	1.2
155.10661	2.4
157.40820	1.0
163.06001	2.5
163.11160	4.3
173.11703	10.1
181.12292	1.9
191.10593	2.1
193.12265	0.9
196.24162	1.0
199.13219	11.0
199.14824	1.1
209.11659	6.2
223.13275	1.6
227.12732	12.6
229.14299	46.7
239.23593	3.9
241.74530	0.9
253.01692	1.2
257.24820	1.7
261.21927	1.1
267.15842	1.9
283.15347	6.9
297.16888	4.3
299.14929	1.9
300.15234	1.7
301.05444	0.9
301.16394	35.2
313.27298	100.0
314.27591	2.9
335.25729	11.3
341.26715	1.9
437.36069	6.1
455.37265	15.3
462.66302	1.0
463.21451	2.0
467.30765	1.6
467.37268	27.3
489.35501	3.3
505.38943	1.3
521.38348	3.5
539.39343	17.7
557.39246	8.4
574.93353	1.0
739.76019	1.1
916.48975	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.3
66.36279	1.0
67.05489	16.1
69.03419	4.1
69.07052	5.0
71.04976	2.8
71.44527	1.1
79.05480	17.3
81.03408	47.9
81.07046	18.0
83.04953	5.1
83.08614	13.8
85.02893	3.4
85.06537	1.9
91.03945	1.3
91.05465	15.2
93.07024	14.7
95.04958	21.0
95.08599	8.0
97.02850	3.3
97.06502	3.6
97.10166	16.1
99.04405	1.5
105.03403	1.3
105.04446	1.4
105.06994	10.2
105.82832	1.2
107.04929	12.9
107.08575	10.7
109.02862	2.3
109.06478	8.9
109.10151	5.9
111.08064	4.3
115.05411	1.6
117.07006	4.3
119.08556	12.2
121.06477	9.1
121.10122	6.9
123.04433	2.7
123.08069	2.4
123.11722	1.7
125.09618	13.3
127.03808	1.5
129.07008	7.8
131.04926	2.8
131.08517	10.7
133.06473	3.2
133.10138	4.4
135.04372	1.2
135.08043	5.3
135.11670	2.1
142.07802	1.1
143.08560	2.5
145.06485	5.1
145.10124	6.6
147.04384	2.3
147.08049	5.3
147.11676	7.3
149.09590	4.4
153.09079	3.7
155.08546	1.9
157.06435	1.8
157.10136	6.7
159.08070	2.3
159.11719	2.4
161.09596	1.7
163.11162	4.0
169.10136	1.9
171.08051	2.1
171.10172	1.5
171.11603	2.0
173.09735	2.2
173.13211	2.1
175.11098	6.3
177.05415	1.5
177.12712	2.2
187.11157	1.8
187.14912	1.1
189.11159	5.3
189.12692	2.3
193.12204	15.9
195.11717	1.2
199.11230	2.4
205.12207	2.0
209.13234	1.1
211.13219	1.9
213.12717	1.6
215.14265	2.7
217.12192	2.0
219.13821	2.8
227.12598	2.1
227.14508	1.9
231.13753	2.7
233.15375	3.7
235.13200	2.2
237.12625	1.9
249.14854	2.9
255.13837	2.7
259.13168	2.4
267.13065	2.7
267.15881	44.9
273.14801	7.0
287.05328	2.0
287.16281	1.5
339.23129	2.9
349.21631	4.1
357.24060	3.1
367.22620	13.1
385.18896	2.1
385.23682	22.0
393.28616	1.2
403.24881	8.7
441.26349	9.6
459.27350	100.0
460.27551	4.3
477.28412	97.4
478.28549	4.0
491.29852	12.6
501.28137	5.3
509.30832	6.5
513.28418	2.1
531.29810	2.2
543.29236	1.5
555.29199	1.8
567.29694	5.4
585.30353	2.4
868.81647	1.2
918.39941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97362	1.2
65.03918	2.3
67.05496	53.9
67.46671	1.0
68.38883	1.2
69.03422	4.5
69.07058	11.6
71.01357	1.8
71.04982	3.5
71.44841	1.4
73.02913	4.9
77.03909	1.4
79.05481	34.4
81.03415	4.8
81.07045	60.6
83.04952	5.8
83.08609	14.8
85.02895	15.7
85.06531	3.2
88.95866	1.1
91.03956	6.5
91.05466	37.8
93.07029	49.2
95.04964	10.1
95.08591	33.2
97.02886	12.8
97.06512	4.2
97.10152	4.5
99.00798	15.8
99.04438	1.8
100.52802	1.3
103.05469	2.6
105.04498	2.9
105.07011	28.2
107.04942	5.7
107.08580	25.3
109.02848	8.5
109.06506	3.6
109.10136	18.0
111.08060	5.7
115.03920	3.6
117.07001	5.9
119.08554	15.4
121.06512	6.3
121.10136	15.7
123.04405	1.2
123.08041	1.7
123.11723	5.5
125.09625	2.4
127.03888	4.9
128.06209	2.1
129.06985	2.4
131.08562	11.5
133.06470	1.4
133.10107	39.5
135.08073	2.3
135.11685	10.9
137.05962	1.5
137.09607	2.1
139.07536	2.5
143.08546	4.6
145.04958	3.8
145.10107	7.6
147.11670	4.8
149.13289	8.2
151.11159	12.7
159.11644	6.6
161.09592	15.5
161.13280	4.3
163.06013	3.4
163.11151	2.8
163.14810	3.7
171.08040	2.9
173.13287	4.7
175.14879	2.0
179.10632	9.2
187.14729	2.8
189.09137	8.7
189.10747	1.4
197.11668	1.9
207.10149	5.4
225.11180	13.3
227.12761	2.0
243.12256	3.2
243.21033	7.0
250.84044	1.2
261.22101	20.8
277.21487	1.3
281.13821	5.0
299.14844	99.0
300.15271	1.9
315.23129	2.9
317.24704	3.9
335.25754	100.0
336.26154	2.7
396.61487	1.3
401.36258	1.6
421.31000	1.6
449.30368	2.1
467.31436	5.3
485.32306	4.9
513.35706	4.4
531.36749	3.2
541.35260	14.3
559.36218	64.6
560.36273	2.6
577.36969	2.6
639.41284	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	2.0
67.05495	32.3
69.03436	3.2
69.07059	7.8
69.94715	4.0
71.02214	1.1
73.02923	3.4
79.05483	23.1
81.03418	3.8
81.07053	39.5
83.04991	4.3
83.08619	8.2
85.02888	10.3
85.06538	2.6
91.03958	8.0
91.05474	26.5
93.07035	31.9
95.04953	6.4
95.08598	24.5
97.02882	9.1
97.06512	3.4
97.10143	2.3
99.00812	11.2
99.08098	1.7
105.07014	18.2
107.04955	4.6
107.08577	19.5
107.09251	1.8
109.02872	9.0
109.06494	3.1
109.10150	11.9
111.08096	4.8
115.03924	2.0
117.07028	5.7
119.08567	12.3
121.06492	4.8
121.10118	12.8
123.08069	2.0
123.11676	5.8
127.03925	5.6
128.06183	1.7
129.07019	2.5
131.08545	7.7
133.06578	1.7
133.10114	34.3
135.08055	2.0
135.11684	11.7
137.05983	1.3
137.09584	1.8
139.07562	1.7
141.95415	1.1
143.08543	5.8
145.04968	4.0
145.10135	6.0
147.11681	2.9
149.13232	4.3
151.11169	11.8
159.11707	3.0
161.09622	15.9
161.13216	2.8
163.05963	2.9
163.14825	3.1
171.08081	3.6
173.13252	3.2
175.11201	2.0
176.72493	1.3
179.10683	8.7
187.14845	2.0
189.09076	7.8
197.11719	2.1
207.10196	1.7
225.11157	10.5
227.12614	3.4
243.12244	2.4
243.21127	3.7
261.22079	17.5
277.21597	1.7
281.13867	2.8
299.14862	100.0
300.15143	2.7
315.23270	3.5
335.25757	71.1
336.26193	2.9
381.22491	1.8
449.30124	1.6
467.31595	5.4
485.32739	3.1
495.34540	1.4
513.35718	2.9
531.36548	2.0
541.35126	12.3
559.36310	38.6
577.37250	3.7
649.98407	1.5
737.93652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.6
69.03427	2.4
69.07061	0.7
71.05007	1.0
71.08613	0.8
72.96024	0.6
73.02592	0.6
73.02902	3.5
79.05470	1.2
81.03424	2.9
81.07063	1.4
83.08617	1.3
85.02888	4.7
85.10184	0.9
87.04451	0.8
91.03962	2.7
91.05447	1.0
93.07045	1.2
95.04975	0.8
95.08620	1.2
97.02885	4.6
98.22676	1.4
99.04453	0.8
101.02374	2.0
105.07062	0.7
107.08623	0.8
116.36765	0.8
119.08566	0.9
121.96017	0.6
124.30852	0.6
127.03902	1.5
129.07033	0.9
132.91069	0.7
145.10066	0.6
147.11671	0.6
193.12265	1.2
218.40277	0.8
225.14876	0.7
243.08470	1.8
267.15869	0.8
283.15302	2.6
339.17786	1.3
347.09634	2.1
365.10623	0.8
396.01389	0.7
405.13626	5.2
469.20966	0.7
497.30612	4.6
501.22971	10.6
659.35901	6.0
663.27942	8.0
757.46655	2.4
821.80127	0.8
919.52148	100.0
920.52374	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	920.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.8
67.05494	74.2
69.03429	7.4
69.07059	31.7
69.66634	3.0
69.67027	2.1
71.01350	3.5
71.04990	6.4
73.02912	5.8
77.03921	1.4
79.05481	62.9
81.03405	16.4
81.07041	85.9
83.04964	21.0
83.08602	19.8
85.02886	8.2
85.06529	5.0
91.03945	3.3
91.05462	54.3
93.06434	2.9
93.07028	54.8
94.04173	1.4
94.24742	1.4
95.04954	32.3
95.05525	2.8
95.08589	27.2
96.05730	4.0
97.02878	9.7
97.06524	12.7
97.10151	23.0
99.00803	2.2
99.04424	2.8
99.08115	1.8
101.02392	1.4
101.09609	1.6
103.05471	3.3
105.04465	1.5
105.07007	32.0
107.04931	19.8
107.05582	1.9
107.08570	38.6
109.02877	8.5
109.05759	1.5
109.06494	22.0
109.10136	33.2
110.07273	1.6
110.10471	1.2
111.04423	10.4
111.08064	8.4
113.02168	1.2
115.05445	3.0
116.04694	8.8
117.06986	17.7
119.04935	2.3
119.08556	37.1
121.06491	12.3
121.10134	23.2
123.04422	6.9
123.08057	12.6
123.11675	2.4
125.02367	1.5
125.05992	1.8
125.09608	23.0
127.03899	2.5
128.06201	2.6
129.05461	25.4
129.06921	7.9
131.04848	1.9
131.08539	18.6
133.06499	7.8
133.10117	21.3
135.04362	2.7
135.08037	24.9
135.11676	13.7
137.05981	3.3
137.09564	12.1
138.10399	3.2
139.07494	2.1
139.11182	3.9
141.06964	2.7
142.07718	2.0
143.07021	5.9
143.08510	10.9
143.10678	1.6
145.06438	7.6
145.10107	17.4
147.08011	10.3
147.11699	6.0
149.09608	12.2
149.13245	2.4
151.07516	2.7
151.11157	6.5
153.09103	7.2
153.12726	4.7
155.08549	3.9
157.08600	13.6
157.10136	6.6
159.08014	9.6
159.11646	7.0
161.09590	15.1
161.13252	2.0
163.06259	2.1
163.07487	11.1
163.11174	16.1
165.09111	3.2
165.12637	2.6
169.10112	4.2
171.07988	1.4
171.10121	6.6
171.11690	4.9
173.09610	5.7
173.11719	9.0
173.13231	3.7
175.11180	7.8
179.10635	5.1
181.12204	5.8
183.11661	3.5
185.09564	1.6
185.13271	3.4
185.42038	1.5
187.11099	2.6
189.09132	3.7
189.11211	9.2
189.12668	1.8
191.10614	6.3
193.12193	24.4
193.31871	1.3
196.14410	1.6
197.07332	2.1
199.11359	1.5
199.13242	3.5
199.14787	1.8
200.14064	1.7
201.16504	1.7
203.10611	1.3
207.10031	1.9
209.11693	6.8
211.13081	1.9
215.17938	1.8
221.11658	3.5
225.11015	2.4
227.12691	14.6
229.14227	10.4
237.16536	1.5
239.12701	2.7
243.17506	3.5
245.13799	5.9
245.18854	1.9
261.18616	6.6
261.22122	3.9
267.15948	1.5
271.16971	10.5
273.18439	14.1
275.20023	1.5
279.15103	1.3
283.15305	9.6
289.17932	36.8
290.18475	1.6
291.19479	4.6
292.09961	1.5
301.16409	17.4
305.17337	2.1
307.18906	9.6
309.16046	2.8
325.15546	5.3
329.20914	1.5
335.25754	23.1
345.20645	1.9
347.22125	4.5
363.21542	14.2
365.23254	2.2
381.22644	100.0
382.23154	2.8
383.19952	7.2
399.19183	9.6
401.19891	1.8
417.20291	86.2
418.20615	3.0
517.31537	3.7
523.32483	4.3
525.35449	2.8
535.32629	21.8
543.36676	11.0
561.37695	21.1
653.40198	4.3
671.41223	3.1
689.37854	10.8
705.37451	7.3
723.38580	63.0
724.38733	2.8
920.47192	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	920.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	7.2
67.05492	98.0
69.03420	11.2
69.07056	39.3
69.99251	5.2
71.01336	4.9
71.04973	9.3
73.02895	6.0
79.05476	90.0
80.89273	2.0
81.03394	17.4
81.07039	100.0
82.07382	3.1
83.04960	23.6
83.08605	24.7
85.02903	12.7
85.06519	5.9
86.66506	1.8
91.03914	5.5
91.05462	67.9
92.90679	1.7
93.07025	85.8
95.04951	46.9
95.08585	46.2
95.97784	1.8
96.05735	2.2
97.02876	26.0
97.06501	15.8
97.10146	21.4
97.44455	2.3
98.22722	2.2
99.00793	2.3
99.04443	4.1
99.08048	4.0
101.06011	2.6
105.04500	3.6
105.07009	47.3
107.04932	29.7
107.08572	48.7
108.08867	2.7
109.02846	7.6
109.06488	23.7
109.10130	50.5
111.04411	7.8
111.08047	10.6
113.83753	1.7
115.05411	5.1
116.04700	3.4
117.06995	32.1
119.06042	2.3
119.08559	47.9
121.06477	12.9
121.10123	20.8
123.04451	10.1
123.08023	11.7
123.11680	4.4
125.09589	18.6
127.03912	3.7
128.06218	4.9
129.00998	3.0
129.05475	16.0
129.06964	11.6
130.98956	3.3
131.08537	31.2
133.06461	8.7
133.10101	26.7
135.08028	44.5
135.11676	20.1
137.05956	3.2
137.09590	28.5
137.96307	1.7
138.10388	3.0
141.00938	1.8
141.06973	2.9
141.09117	2.2
143.07042	3.8
143.08530	10.9
143.10649	2.3
145.04988	2.0
145.06459	11.9
145.10077	19.8
147.08037	14.7
147.11652	11.6
149.06046	2.0
149.09587	14.5
149.13239	4.3
151.07477	2.8
151.11137	4.0
153.04617	2.0
153.09093	11.0
153.12718	4.4
155.08546	3.0
155.10539	3.4
157.08777	9.2
157.10019	10.2
159.08000	9.4
159.11679	7.9
161.09605	14.4
161.13147	3.9
163.06105	3.3
163.07439	12.7
163.11148	18.9
165.09117	4.5
167.10641	2.4
169.10129	4.2
171.05675	7.4
171.10089	6.7
171.11557	4.6
173.09589	9.0
173.11693	7.1
173.13254	5.8
175.11125	6.9
177.09053	2.0
177.12712	2.7
179.10628	3.8
181.12195	5.1
183.11609	2.9
185.09578	2.4
185.13184	3.1
187.11101	3.7
189.11197	7.2
189.12701	2.4
191.10593	7.9
193.12202	19.4
199.05147	3.8
199.13164	3.0
209.11641	9.1
210.07979	2.8
211.13176	2.0
221.11687	9.5
225.16393	1.9
227.12689	12.1
229.14287	13.7
239.12724	5.2
243.17514	6.3
245.19009	2.8
261.18359	5.0
261.21960	5.8
271.16946	10.3
273.18439	26.9
275.20126	2.2
276.39731	1.9
279.14941	3.0
283.15448	16.0
289.17938	34.2
291.19440	16.2
295.15402	2.2
299.14810	7.8
300.15256	5.2
301.16180	12.6
307.18912	3.8
313.16528	2.9
325.15695	2.1
335.25720	24.7
336.26038	3.5
347.22083	14.7
363.21616	7.3
365.23294	17.7
381.22519	12.2
399.19150	98.5
399.23785	40.9
400.19455	2.8
482.63464	1.8
495.25027	2.8
525.35510	5.7
543.36731	30.6
553.29095	33.3
559.36090	1.9
561.37549	17.8
573.69525	2.3
585.58801	1.9
593.32086	6.0
635.38806	3.2
637.30914	3.9
671.36768	7.2
687.36346	3.7
689.27063	3.2
689.37982	44.2
705.37030	5.3
723.38495	71.9
724.38672	4.1
798.94635	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	920.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
64.26685	1.0
65.03931	3.5
67.05492	63.8
68.02264	1.1
69.03403	9.3
69.07051	19.2
71.01334	1.7
71.04989	4.9
73.02905	7.1
73.06594	1.1
79.05477	53.3
81.03407	16.8
81.07043	66.3
82.04190	4.4
82.07357	1.2
83.04967	13.3
83.08609	14.5
85.02885	18.5
85.06528	4.6
91.03938	7.6
91.05461	43.1
91.21098	1.1
93.07027	48.8
95.04951	21.2
95.08588	35.2
97.02868	11.7
97.06510	9.4
97.10151	13.6
98.07306	5.2
98.23505	2.6
99.04413	2.1
99.08076	2.0
101.05999	1.6
103.05425	1.5
105.04519	3.2
105.07006	33.5
107.04955	5.6
107.08573	34.0
109.06501	9.4
109.10136	32.1
111.04414	1.4
111.07399	1.0
111.08043	7.0
113.05994	2.1
115.05467	1.9
116.04676	9.9
117.06993	10.8
119.08553	23.2
121.06483	4.3
121.10127	22.6
123.08054	6.5
123.11687	6.9
125.09622	14.0
127.03910	3.7
127.07522	2.0
129.05452	32.1
129.07011	5.2
130.07726	1.6
131.08556	17.2
133.06511	1.5
133.10106	32.8
135.07990	6.3
135.11679	13.0
137.09636	2.8
137.13228	1.7
140.21249	1.1
141.06924	1.2
142.07732	1.6
143.07004	9.0
143.08545	4.9
145.04935	3.5
145.10091	11.4
147.08032	3.4
147.11649	10.6
149.09647	5.9
149.13249	5.0
151.11156	11.3
153.09126	1.8
153.12703	1.6
157.08603	14.7
157.10095	6.5
159.11653	8.4
161.09676	3.0
161.13185	5.6
163.06024	4.8
163.11183	8.1
163.14784	2.2
165.12718	2.3
169.12256	2.5
171.10149	4.5
171.11598	2.4
173.09599	1.6
173.11806	2.7
173.13252	4.0
175.11208	5.3
175.14813	2.9
177.12787	1.6
181.12254	1.7
185.11700	1.4
185.13278	2.7
187.14812	3.1
189.11208	7.7
193.10599	2.0
193.12154	8.7
197.13295	1.8
199.13281	2.7
200.14012	2.1
209.11674	2.7
211.13223	6.2
215.12784	3.7
227.12761	12.6
229.14345	3.8
243.21062	3.5
253.14299	37.1
259.20438	3.1
261.22104	9.4
267.15887	6.6
273.18436	7.6
277.21570	4.5
283.15375	5.9
285.16779	3.1
289.17969	2.5
291.19537	6.1
293.20837	1.5
301.16406	100.0
302.16644	1.7
309.16159	2.0
315.23010	2.0
317.24783	1.8
321.69058	1.6
335.25742	61.2
339.23209	1.5
347.21976	2.5
351.25238	2.4
365.23157	1.4
379.21100	4.6
381.22775	1.6
383.19788	3.8
389.26828	2.2
397.22156	6.6
399.19055	3.2
401.20874	5.3
527.37189	5.7
543.34955	3.9
545.38251	3.4
561.37750	50.8
562.38171	1.7
579.30524	5.6
579.38928	2.5
593.31537	1.5
597.31409	4.9
669.39368	2.3
705.37463	4.2
723.38763	7.2
920.46240	2.5
921.49292	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.8
67.05492	72.6
68.05835	2.2
69.03416	6.1
69.07051	17.4
69.21458	2.7
69.21860	5.8
70.04193	1.4
70.52538	1.3
71.01315	1.2
71.04981	4.8
73.02895	8.9
79.05475	60.6
81.03395	16.4
81.07041	71.1
82.04178	3.3
83.04966	12.3
83.08595	17.4
85.02883	21.7
85.06529	3.4
91.03939	8.7
91.05462	43.7
93.07027	53.2
95.04946	24.4
95.08588	47.4
97.02876	10.6
97.06502	9.9
97.10147	11.5
98.07287	5.6
99.04426	1.3
99.08086	2.5
103.05436	1.2
105.04508	3.1
105.07010	31.1
105.07713	1.6
107.04936	7.9
107.08575	35.1
107.63322	1.2
109.06477	7.3
109.10135	27.5
111.04433	2.1
111.08054	7.2
116.04695	9.2
117.06995	15.0
119.08546	27.9
121.06519	3.3
121.10122	27.6
123.08043	7.1
123.11709	6.0
125.09597	16.3
127.03890	4.4
128.06165	1.7
129.05460	24.3
129.06902	6.3
130.07794	1.6
131.08542	20.5
133.06456	2.4
133.10097	22.9
135.08041	5.2
135.11665	19.4
135.12628	1.4
137.09596	4.9
139.11122	1.4
143.07042	5.7
143.08568	6.4
144.06580	1.2
145.04942	5.9
145.06522	1.4
145.10101	15.9
147.08005	3.4
147.11664	15.4
149.09543	5.8
149.13231	9.2
151.11148	2.4
153.09138	1.4
153.12726	2.4
155.08568	1.9
157.08594	10.8
157.10094	6.4
159.11647	9.2
161.09666	2.0
161.13248	4.9
163.06044	6.1
163.07246	1.4
163.11172	7.1
163.14827	3.5
165.12788	2.3
171.10136	4.1
171.11647	2.8
173.09550	1.9
173.11722	3.1
173.13254	6.8
175.11223	5.6
175.14787	2.1
177.12784	1.5
183.11694	2.3
185.11716	2.4
185.13133	2.5
187.14853	2.0
189.11182	4.1
189.12672	1.4
193.12247	8.4
195.13757	1.4
197.13255	2.0
199.13242	2.9
199.14897	1.8
200.14066	1.5
201.14738	1.3
209.11708	4.6
211.13222	7.7
211.14830	1.1
227.12671	9.0
229.14275	5.4
233.30179	1.2
241.19389	1.7
243.21117	3.2
253.14076	2.4
259.20551	3.5
261.22064	15.3
267.15887	6.8
273.18555	1.9
275.19925	2.2
277.21600	6.7
283.15353	9.5
285.16943	2.2
286.04205	1.3
289.18109	1.6
301.16394	65.5
315.23123	1.7
317.24664	2.7
333.24033	2.3
335.25742	83.8
336.26114	2.7
349.23947	1.8
351.25311	1.5
389.26904	1.3
399.19180	7.3
433.30276	1.4
451.32037	1.7
460.35147	1.6
469.32523	1.5
489.35840	1.6
525.35632	2.0
527.37158	7.1
543.36761	15.9
544.36627	1.7
545.38251	2.4
553.29266	5.4
561.37762	100.0
562.38049	4.3
593.32391	6.2
605.20160	1.4
673.38745	2.3
705.37708	2.1
723.38507	2.2
920.50098	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	920.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	5.5
67.05495	100.0
69.03413	8.6
69.07059	41.1
69.07438	1.8
71.01341	7.5
71.04993	6.7
73.02899	7.5
77.03949	1.5
79.05482	73.9
80.06306	1.5
81.03410	23.2
81.07045	92.5
82.04171	1.5
83.04966	21.2
83.08606	23.8
85.02885	5.2
85.06518	4.5
87.04422	1.9
91.05467	60.0
93.07034	61.0
95.01316	2.5
95.04955	42.3
95.08591	35.1
96.05740	4.4
97.02882	23.2
97.06522	19.4
97.10153	27.0
98.07266	2.3
99.04418	3.2
99.08072	3.3
99.64265	1.5
101.05960	1.6
103.05436	1.6
105.04480	2.6
105.06342	2.6
105.07020	39.1
107.04940	26.2
107.08581	39.9
109.02851	6.3
109.06507	29.2
109.10143	52.0
111.04423	8.2
111.08083	9.9
113.05994	1.5
115.03923	1.6
115.05448	5.0
116.04709	10.1
117.06994	24.4
119.08567	42.1
120.09420	1.8
121.06487	14.9
121.10139	17.2
122.07296	2.9
123.04407	10.4
123.08045	18.1
123.11701	2.2
125.09624	24.6
127.11166	3.5
128.06172	3.9
129.05467	30.9
129.06938	11.9
130.07803	2.3
131.04900	1.7
131.08557	21.9
133.06508	8.4
133.10112	23.6
134.07257	1.5
135.04364	2.4
135.08040	24.6
135.11667	16.8
137.05983	4.6
137.09595	38.6
138.10425	3.3
139.07558	2.8
139.11124	2.4
141.06950	2.8
143.06996	7.9
143.08540	9.1
143.10641	2.6
145.06477	5.9
145.10106	20.5
147.08035	16.9
147.11655	16.9
149.09598	11.6
149.13206	3.5
151.07527	4.7
151.11140	5.6
153.09070	12.0
153.12691	2.4
155.08585	3.4
155.10651	5.5
157.06543	1.6
157.08578	16.8
157.10091	11.9
158.05768	1.7
159.08046	5.3
159.11697	9.3
159.12863	2.1
161.09579	12.6
161.13222	2.1
163.06064	1.4
163.07532	3.9
163.11151	16.7
163.14865	1.6
165.09093	8.7
165.12726	5.0
169.10057	3.3
171.06424	2.3
171.10141	10.4
171.11688	4.0
173.09607	5.7
173.11737	10.5
173.13133	2.8
175.11172	9.4
175.14755	2.4
176.11932	1.7
177.09137	3.4
177.12746	6.9
179.10637	3.8
181.10085	1.6
181.12190	2.5
183.11649	2.7
185.09578	1.6
185.13245	4.5
187.11156	2.8
189.09157	2.9
189.11166	8.7
189.12689	3.2
191.10667	5.7
191.14328	1.8
193.12206	27.9
195.13792	2.0
199.09573	1.5
199.11353	2.2
199.13258	6.0
201.12746	2.0
203.10582	1.7
203.14360	2.1
205.12245	2.2
209.11696	2.6
211.13206	7.2
217.14177	1.5
219.13788	2.8
221.11687	9.2
223.13184	3.4
225.11122	2.0
226.11972	2.7
227.12704	14.3
227.17880	2.7
229.14265	21.5
233.15373	1.6
235.17030	1.9
239.12718	6.0
243.13762	1.8
245.18930	4.1
255.17757	2.5
259.20477	4.8
261.18420	3.7
263.19952	3.0
267.15802	2.8
269.17413	4.0
271.16998	3.4
273.18451	41.4
275.20029	3.8
283.15533	3.2
283.18515	1.7
285.16925	6.1
289.17935	17.1
290.18741	3.3
291.19516	26.0
295.15314	5.7
297.16989	1.5
299.55920	1.5
307.18973	5.4
308.19672	2.1
309.20471	3.5
313.16315	4.1
329.20871	1.8
333.24164	6.2
347.22116	19.3
363.21487	5.8
364.22186	2.7
365.23190	30.6
381.22610	11.2
383.24396	2.5
399.23715	79.7
423.27164	2.4
433.30948	1.6
467.26285	11.5
501.31915	1.5
507.35086	1.5
519.32983	8.6
525.35553	2.5
541.34521	2.0
543.36804	10.4
553.33374	4.3
557.34259	2.8
559.36334	2.2
603.34857	2.2
637.41193	4.4
655.42017	11.5
668.33655	1.7
671.41327	8.5
672.41248	1.9
689.42719	24.2
705.40967	1.8
723.31244	2.3
723.43127	44.7
920.40186	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	922.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52212	1.0
81.09989	0.3
165.06894	0.3
177.05495	0.6
191.08537	1.9
206.07199	0.4
207.07996	1.1
208.08771	0.8
218.07129	0.4
219.08022	1.8
220.08786	3.1
221.09479	1.3
223.07428	0.4
223.11125	2.6
224.08276	0.7
233.09583	2.0
234.06752	0.4
235.07532	2.8
236.08275	7.3
237.09004	1.6
239.10602	1.7
247.07524	0.8
248.08301	0.8
249.09094	1.4
250.09901	1.3
251.10646	13.3
252.07803	1.1
252.10817	0.5
261.09094	0.6
262.09894	1.0
263.06918	0.6
263.10620	2.3
264.07721	1.7
264.11343	0.6
265.08578	0.8
265.12164	0.2
266.09323	0.5
267.10089	4.5
277.08636	1.6
278.09280	1.0
279.10123	33.6
280.07394	0.6
280.10602	1.3
281.08078	0.8
281.11703	1.0
293.11676	1.3
294.12454	100.0
295.09631	30.4
295.12802	2.7
296.10214	1.7
310.11942	50.4
311.12375	1.1
325.14291	90.3
326.14648	2.8
342.16953	25.7
343.17538	0.7
469.01410	0.3
539.49182	0.3
863.11658	0.4
883.58649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	6.0
67.05497	78.0
69.03420	9.8
69.07057	33.2
71.01343	3.0
71.04967	5.5
73.02902	4.6
74.67705	1.6
79.05483	67.3
81.03413	37.7
81.07047	100.0
83.04969	15.3
83.08609	23.1
83.21559	1.5
85.02905	8.4
85.06522	5.2
86.17584	1.5
88.47847	2.0
91.05468	56.9
93.07032	59.2
95.04404	3.1
95.04962	40.1
95.08588	36.2
97.02876	11.1
97.06503	10.2
97.10155	21.8
98.23449	3.0
99.04451	2.8
103.03938	1.6
103.05439	2.7
105.04497	3.4
105.07020	34.2
107.04944	22.3
107.08575	33.9
107.09209	1.1
109.02839	2.5
109.06517	18.6
109.10144	33.5
111.04432	6.8
111.08080	12.1
113.05966	2.6
115.05401	2.2
116.04677	5.7
116.60152	1.5
117.07005	20.8
119.08574	41.7
121.06506	12.3
121.10142	24.0
123.04406	5.4
123.08043	21.9
123.11665	3.4
125.09628	19.7
128.06209	4.2
129.05482	15.7
129.06984	12.8
130.07774	2.5
131.04889	2.4
131.08548	23.3
133.06465	8.2
133.10097	16.9
135.08046	11.9
135.11678	13.9
137.05922	1.8
137.09587	12.0
139.11241	1.6
141.06979	2.7
142.07816	2.2
143.06960	2.5
143.08580	11.9
145.00529	2.0
145.06453	5.5
145.10115	24.7
147.08034	14.1
147.11652	11.2
148.00775	1.6
149.09601	12.5
149.13234	4.4
151.11195	2.5
153.09097	5.4
153.12695	4.7
155.08452	3.8
155.10715	2.4
157.08604	7.4
157.10101	14.6
159.08060	4.7
159.11664	11.2
161.09633	14.5
161.13248	4.7
163.07571	1.7
163.11142	16.8
163.14799	2.3
165.09056	3.2
167.08580	2.2
169.10124	3.3
171.08011	2.3
171.10196	3.7
171.11681	7.5
173.09586	3.4
173.11787	3.8
173.13225	5.5
175.11198	9.5
177.09052	2.4
177.12764	3.2
181.10106	2.8
181.12172	3.4
183.11661	2.5
185.13255	3.7
186.67419	1.8
187.11147	2.9
187.13383	2.4
187.14946	2.0
189.11182	12.9
189.12697	2.3
191.10674	3.7
193.12244	14.3
195.11748	2.1
197.07246	1.8
199.11235	2.2
199.13191	4.3
200.14014	1.8
205.12164	2.3
211.13135	2.7
211.14925	1.9
219.13815	2.2
221.11722	2.8
223.13240	4.5
227.12730	17.9
227.17809	2.7
229.14290	12.2
239.12630	1.6
245.19012	4.6
249.14668	2.1
255.17374	5.0
261.18469	2.2
261.22116	4.2
261.39929	1.8
267.15848	27.8
271.16968	3.6
273.18457	43.4
283.15378	3.5
289.17926	9.8
291.19504	58.2
292.19922	2.7
295.15643	2.0
301.25427	2.0
309.16351	7.3
309.20422	3.7
317.24738	2.5
327.17017	1.9
335.25781	29.5
347.22226	14.8
360.32315	1.8
363.21582	5.0
364.22192	1.8
365.23218	20.8
381.22473	4.6
383.19717	17.0
383.24313	6.1
399.23816	20.4
401.20941	21.9
417.20422	18.4
453.33258	3.1
527.37427	18.2
537.29529	3.4
545.38263	17.8
555.30481	5.1
569.38281	3.8
637.41235	4.3
671.41736	4.5
673.38593	8.7
689.40808	2.3
691.39587	6.6
707.39099	17.1
725.40002	22.4
922.45703	10.6
923.47791	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	922.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.6
67.05496	67.1
69.03441	8.1
69.07063	19.0
69.10422	10.7
69.10834	4.9
71.01360	3.2
71.04997	10.1
73.02922	6.3
79.05483	62.2
80.05804	2.8
81.03406	56.4
81.07047	75.4
82.07394	2.4
83.04983	9.6
83.08604	24.3
85.02895	16.1
85.06513	3.2
87.04478	2.0
91.03938	5.6
91.05467	47.6
93.07034	56.2
93.07578	3.2
95.04967	29.4
95.08588	41.7
95.09122	3.7
97.02916	8.4
97.06531	12.4
97.10183	7.9
98.22697	5.5
105.04519	3.5
105.07018	40.0
107.04968	10.5
107.08571	34.8
107.09238	2.4
109.06544	9.8
109.10132	22.3
109.67242	2.5
111.04474	7.4
111.08066	11.5
115.05456	3.1
117.07011	18.2
119.08566	31.0
121.06532	6.2
121.10134	29.2
121.10856	2.8
123.04438	3.5
123.08089	8.1
123.11714	8.9
125.09624	5.6
127.03973	5.1
129.05533	2.3
129.06970	13.7
131.08556	24.8
133.06493	4.0
133.10126	20.2
135.08061	5.5
135.11670	17.2
137.09647	6.9
142.07813	3.8
143.08528	5.5
145.10139	13.6
147.08093	6.2
147.11679	13.5
149.09676	8.7
149.13287	10.6
155.08594	3.7
157.10158	9.7
159.11732	8.3
161.09700	4.1
161.13306	6.1
163.06094	3.8
163.11241	7.2
171.11732	6.6
173.09625	2.8
173.13315	3.0
175.11249	6.5
177.12766	5.0
185.13361	2.7
187.11197	3.0
187.14825	3.2
189.11270	6.0
191.10785	4.2
193.12224	16.8
197.13324	3.2
203.05261	2.7
227.12857	6.3
229.14311	4.9
261.21976	12.6
266.14703	2.2
267.15869	58.3
269.17578	7.6
273.18594	9.7
275.20157	3.8
283.15445	3.9
284.15820	3.9
285.16870	4.9
291.19705	9.4
298.41260	2.4
301.25394	2.9
302.17160	2.3
312.31268	2.4
319.07269	2.2
331.22833	2.6
335.25748	67.2
336.26270	4.0
347.09506	2.9
349.23953	4.7
371.94269	2.2
383.19922	8.4
401.21078	8.1
405.13751	3.4
435.26950	2.9
435.32571	3.4
453.33517	4.4
465.08914	2.4
471.35141	4.2
519.34521	3.2
527.37341	39.9
544.37665	3.4
545.38342	58.4
546.38953	3.4
555.30609	3.5
559.36328	2.7
562.38214	2.6
563.39124	9.5
569.38196	4.1
577.32697	10.8
595.34039	10.3
628.26617	3.3
635.39270	2.9
653.40631	3.6
675.40051	5.2
725.40631	3.0
862.46814	2.7
922.48383	100.0
923.48267	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	925.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.8
71.04999	0.6
71.43779	0.1
73.02865	0.2
81.03403	20.5
81.07040	0.1
81.72057	0.1
82.03735	0.2
83.01330	0.2
83.04981	0.3
85.02898	1.2
97.02877	10.7
99.04440	1.5
103.03920	0.3
104.58595	0.1
109.02860	100.0
110.03185	0.7
111.04414	0.3
121.02760	0.2
127.03892	35.0
128.04216	0.2
133.02386	0.1
137.05997	0.2
139.03874	4.7
145.02902	0.2
145.04930	0.5
145.06422	0.1
153.01855	0.1
169.04932	26.6
170.05281	0.4
171.06496	0.1
177.05507	0.2
187.05997	1.1
201.00800	0.1
211.05954	2.1
229.07024	1.4
231.08495	0.2
247.08098	0.2
258.05182	0.1
271.08102	0.2
287.05444	7.7
288.05850	0.2
331.10144	0.7
449.10718	1.4
532.94086	0.1
555.18878	0.2
633.32837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	36.4
69.46300	2.0
71.04970	1.9
71.89920	0.5
81.03403	14.4
81.07020	0.6
83.01317	2.2
83.04514	0.8
83.04974	5.7
85.02892	39.2
91.15470	0.6
97.02878	36.2
99.04438	11.3
109.02862	100.0
110.03197	1.1
111.04429	13.6
115.03911	1.3
121.02856	1.5
127.03897	57.6
139.03865	6.7
145.04938	16.5
153.01817	1.9
153.05435	10.4
155.79799	0.6
165.01846	1.1
169.04932	11.3
171.06528	0.9
187.06001	14.3
187.07571	1.1
205.07042	21.3
213.05475	0.7
213.07559	0.8
231.06430	0.5
241.05040	1.0
258.05289	1.4
273.09628	1.5
287.05453	83.8
288.05740	2.0
388.70096	0.6
449.10715	19.9
450.10620	1.0
674.01306	0.6
721.20026	1.2
818.99481	0.7
919.65912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.8
71.04999	0.6
71.43779	0.1
73.02865	0.2
81.03403	20.5
81.07040	0.1
81.72057	0.1
82.03735	0.2
83.01330	0.2
83.04981	0.3
85.02898	1.2
97.02877	10.7
99.04440	1.5
103.03920	0.3
104.58595	0.1
109.02860	100.0
110.03185	0.7
111.04414	0.3
121.02760	0.2
127.03892	35.0
128.04216	0.2
133.02386	0.1
137.05997	0.2
139.03874	4.7
145.02902	0.2
145.04930	0.5
145.06422	0.1
153.01855	0.1
169.04932	26.6
170.05281	0.4
171.06496	0.1
177.05507	0.2
187.05997	1.1
201.00800	0.1
211.05954	2.1
229.07024	1.4
231.08495	0.2
247.08098	0.2
258.05182	0.1
271.08102	0.2
287.05444	7.7
288.05850	0.2
331.10144	0.7
449.10718	1.4
532.94086	0.1
555.18878	0.2
633.32837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.4
69.03440	0.7
69.07082	0.8
69.16330	3.9
77.88155	0.6
79.05485	1.1
81.07040	1.5
85.02909	1.0
91.05476	0.9
93.07063	0.8
95.04964	0.9
95.08615	0.9
97.02907	0.7
98.97587	1.7
112.99188	0.7
126.09579	0.6
128.98630	0.7
131.00191	1.8
134.13809	0.7
138.21707	0.6
140.93599	0.6
147.11684	0.8
149.01228	2.0
158.99609	1.1
203.02370	0.7
217.01189	0.7
217.03627	0.8
217.07663	0.9
229.07350	1.1
241.07527	0.8
243.09090	1.2
247.08578	0.8
255.08916	3.8
267.09064	1.0
271.08545	0.9
273.10159	1.0
275.04483	0.9
283.08594	0.9
285.10251	1.0
293.05634	1.0
295.26849	0.7
297.10284	0.7
301.09366	1.3
317.06494	2.0
347.15308	2.7
347.52222	0.7
353.15942	0.8
363.15048	0.9
365.16342	3.0
401.15884	3.5
447.15558	1.3
459.16354	1.0
463.14987	0.8
473.17401	1.8
477.15970	0.8
501.17114	5.2
509.21695	1.5
529.23651	0.8
547.30328	1.0
573.19427	2.8
583.24567	3.4
585.26782	2.6
593.30548	0.9
613.21558	0.8
624.25446	1.1
627.28833	0.8
642.26282	1.5
655.27130	2.6
657.28625	6.2
683.30585	2.2
697.31683	0.8
708.34418	1.1
726.35828	1.7
755.61047	0.7
767.36145	5.8
781.37994	1.1
839.38055	2.0
879.42297	0.8
907.44153	2.5
925.45496	100.0
926.45215	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	925.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.9
67.69900	0.5
69.03435	2.3
69.07072	1.9
69.88235	1.0
69.97760	0.5
70.01619	0.5
71.05006	0.5
73.02899	3.3
79.05502	2.1
81.03427	2.4
81.07033	3.3
83.01113	1.2
83.04990	0.7
83.08652	0.8
84.01895	2.0
85.02892	5.5
87.04450	0.7
91.03942	3.7
91.05488	2.3
93.07024	2.4
95.01103	1.4
95.04944	0.5
95.08654	1.4
96.01871	0.9
97.02895	4.9
97.10168	1.2
99.04456	1.2
101.02390	1.3
105.07047	1.7
107.04950	0.6
107.08584	1.2
109.02859	1.0
109.10190	1.3
115.03953	1.0
117.05499	1.5
119.08597	1.5
121.02653	1.1
121.06462	0.5
121.10142	0.8
123.04224	1.1
125.09671	1.2
127.03897	2.4
127.11253	0.8
128.04510	0.6
129.05464	3.4
131.08571	0.5
137.02121	0.6
137.05991	0.5
139.03680	1.4
143.07022	0.5
145.04977	1.3
156.03969	1.0
157.04770	0.7
167.03146	1.2
173.11707	1.1
181.04712	2.4
184.03409	1.3
185.04170	9.5
193.12245	0.5
195.06267	0.7
199.05864	1.5
199.13286	0.6
201.03665	5.4
201.14944	1.1
203.05246	0.9
205.08420	1.6
205.12079	0.8
207.06302	0.6
209.11487	0.5
211.13419	0.7
223.13116	1.0
226.04515	0.6
227.05350	1.3
239.05307	1.2
241.06888	1.2
243.08368	9.5
251.12660	1.0
259.07977	0.9
263.12460	0.7
265.14297	1.7
277.14148	0.9
281.13754	1.2
295.15067	0.7
299.14697	0.6
301.08875	24.7
313.08975	3.0
315.10446	5.9
317.08618	1.6
319.10150	1.6
327.10544	1.6
327.14066	0.8
329.12219	0.8
341.12057	2.9
343.09940	0.7
343.13699	1.0
347.18393	2.0
349.19797	0.6
355.13684	1.3
357.15216	1.5
360.10464	1.2
365.19043	0.9
365.23148	1.7
369.15381	1.5
371.17068	1.7
373.10953	6.9
383.16940	1.7
385.10913	1.2
385.18256	18.1
387.12784	1.5
389.10535	0.8
399.12527	0.9
401.18170	3.2
403.12256	0.8
405.13718	0.6
405.22653	0.8
413.17972	2.2
415.16205	1.0
425.18015	1.6
429.17542	1.6
441.17322	0.6
443.18973	1.9
444.20203	0.6
455.19086	1.9
457.20270	3.7
463.22971	0.9
467.18680	1.1
469.20529	3.9
471.21756	0.6
473.19885	4.7
483.21814	0.8
485.19931	2.2
487.22003	0.9
497.20160	2.7
501.23151	1.3
509.23907	2.0
543.27844	0.6
547.32471	1.5
553.29999	1.3
557.22260	1.2
557.29407	1.2
565.26300	1.9
567.28058	1.2
583.27478	2.8
585.29102	1.4
593.32581	0.6
596.35468	0.7
597.28668	0.7
609.29120	1.7
611.30597	1.2
625.28137	21.6
626.32281	1.0
631.25336	0.9
639.29962	0.8
641.31720	1.2
655.29437	2.6
657.30640	0.7
665.33893	0.7
669.30902	1.1
683.32666	1.6
693.38470	0.6
694.38635	4.1
697.33344	0.8
699.26147	0.6
709.37518	21.7
710.37402	1.1
725.36658	0.8
767.37701	6.9
809.38568	0.8
837.69745	0.5
839.40216	1.6
891.46411	1.3
907.46960	2.1
925.47510	100.0
926.47388	5.0
944.28101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.6
67.05488	1.7
69.03413	3.7
69.78282	1.1
69.78613	1.7
70.06573	1.3
75.97878	0.7
77.33065	0.8
79.05476	2.2
81.03397	4.2
85.02890	6.2
91.05463	4.0
93.03397	1.0
94.04138	1.9
95.01300	0.9
95.04938	3.4
97.02856	2.7
98.22830	1.4
102.14160	0.6
103.05451	15.1
103.06114	1.5
103.28931	0.8
105.04482	1.0
105.07029	4.0
107.04950	5.3
108.02037	0.7
109.02846	1.2
109.06487	0.9
110.03630	2.1
111.04414	2.5
115.05408	3.5
117.06987	2.8
118.04121	4.0
119.04907	6.0
121.02818	0.7
121.06491	1.8
122.03632	3.6
123.04414	2.2
125.05966	3.3
127.03889	2.0
128.06273	1.1
129.06961	2.3
131.03944	1.5
131.04903	23.7
131.08571	0.8
133.02815	4.9
133.06505	3.9
133.07376	0.7
135.08046	2.1
137.05951	66.9
141.05446	1.6
143.04897	3.2
145.02783	1.1
145.04929	0.9
145.06448	5.6
146.03639	1.0
147.04364	7.1
147.07974	1.5
148.05153	8.9
149.05943	3.2
151.03883	75.6
151.04961	5.3
151.07413	3.7
152.04288	0.8
153.05444	7.0
155.05991	0.8
157.06461	1.3
159.08011	1.7
160.05190	2.2
161.05960	4.5
163.03822	1.1
163.07515	24.8
163.08879	1.7
165.05449	3.0
165.06848	0.7
167.07008	15.3
169.91847	0.7
171.04385	1.3
171.06560	1.3
173.05949	6.4
175.03946	1.0
175.07509	14.5
176.04665	2.5
177.05450	6.4
177.09096	1.6
179.07018	6.7
181.04929	25.2
187.07526	5.4
189.05411	2.0
189.09081	3.2
190.06181	2.5
191.06995	100.0
192.07404	1.9
193.08640	1.9
195.06519	1.2
199.07515	2.1
201.05333	1.2
201.09106	1.1
203.06940	6.7
205.06734	1.3
205.08536	10.3
207.06392	2.6
207.08165	1.2
207.10066	1.1
209.08076	5.3
211.07462	0.9
215.07028	1.3
217.06670	0.9
217.08504	4.0
219.08176	1.0
219.10121	2.2
223.09656	0.9
229.08618	1.6
233.06047	1.2
233.07999	5.6
234.06665	1.1
235.07407	2.3
235.09599	9.3
236.08109	1.1
237.09076	2.6
245.08107	1.2
247.07449	1.1
248.13176	0.7
249.09061	1.9
251.10814	1.6
252.07797	0.8
261.09036	0.9
263.09137	19.7
264.37845	0.8
265.08450	2.5
265.10867	5.1
266.09265	1.0
267.10129	1.9
276.07681	0.8
277.08615	3.7
278.09286	0.7
279.10132	2.3
281.11505	1.2
291.10135	1.2
292.07303	0.8
293.07770	1.1
295.09482	2.4
297.11124	1.5
300.09711	1.0
306.08609	0.9
307.09637	4.5
308.10233	0.9
309.11179	2.9
311.12292	1.3
321.11172	1.1
323.12527	0.9
325.10703	1.2
327.12213	4.3
329.13779	2.1
337.10721	1.7
339.12210	11.8
341.13751	3.1
351.12210	3.4
353.13763	3.4
355.11725	7.7
357.13235	3.2
359.15063	0.9
369.13214	8.1
371.14865	5.2
387.14294	86.6
388.14755	2.4
393.56253	0.8
413.15857	1.6
549.19727	6.9
711.24652	9.7
743.96912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.4
65.80050	0.6
67.05479	1.2
69.03410	2.3
70.06576	0.9
79.05492	1.9
81.03391	4.5
82.04167	0.7
85.02889	7.1
91.05482	5.6
94.04163	1.7
94.57283	0.6
95.04943	2.5
97.02859	3.8
98.29803	0.6
102.04693	0.6
103.05450	18.6
105.03400	1.4
105.04501	0.6
105.07020	2.8
107.04926	5.1
108.02051	1.2
109.02851	1.6
109.06504	1.9
110.03606	0.9
111.04408	1.6
115.03902	0.5
115.05463	3.8
117.03328	0.6
117.07011	3.9
118.04122	4.5
119.04931	7.0
121.06477	2.0
122.03628	3.5
123.04419	2.2
124.05222	1.0
125.05972	2.3
127.03911	1.9
128.06223	1.3
129.07001	2.2
130.04080	0.9
131.04910	30.1
131.08508	1.1
133.02844	4.4
133.06464	4.9
135.04359	1.4
135.08020	1.4
137.05956	66.0
140.07034	1.1
141.05426	1.4
141.07056	0.8
143.04880	2.4
143.05931	0.9
144.05666	1.1
145.02818	1.3
145.04918	1.3
145.06453	5.6
147.04399	7.7
147.07999	0.9
148.05174	9.6
149.05949	4.0
151.03883	80.4
151.04936	4.3
151.07474	4.0
153.05460	5.5
155.04857	0.9
155.07106	0.7
157.06459	2.5
159.04321	0.9
159.07982	1.5
160.05188	2.5
161.05942	6.5
162.06709	0.6
163.07513	26.4
165.05435	3.9
165.09102	1.0
167.07014	18.3
169.06490	0.7
169.55751	0.6
171.04362	0.7
171.06569	0.8
173.05969	7.6
174.06712	1.2
175.03914	4.6
175.07529	14.8
176.04692	2.2
177.05457	8.7
177.09067	1.7
178.06020	0.6
179.07008	7.7
179.08473	1.0
181.04929	28.8
181.08492	0.9
186.06889	0.7
187.07541	6.1
188.08261	0.9
189.05458	2.1
189.09052	3.1
190.06224	1.5
191.07001	100.0
192.07321	1.3
193.04861	1.1
193.08577	1.8
195.06552	1.8
199.07590	0.7
201.05469	0.9
201.09082	1.9
203.06995	6.3
205.06650	1.5
205.08574	12.1
206.07272	0.7
207.06476	12.9
207.08205	1.1
207.10144	1.9
209.08049	4.3
211.07617	1.1
215.06992	1.1
217.08504	3.4
217.98776	0.6
219.06241	0.8
219.08113	1.2
219.09882	3.0
221.08055	1.7
225.09099	1.0
227.07056	1.2
229.08556	1.4
231.06409	1.5
233.07947	4.7
234.06735	0.8
235.07445	2.2
235.09627	9.5
236.08298	0.9
237.09041	2.6
238.09880	0.9
239.06909	0.8
239.10825	0.6
241.08702	0.8
245.08000	1.1
247.07361	1.0
247.09641	1.5
249.09016	2.0
251.06999	1.1
251.10619	1.0
253.08507	1.0
257.07968	1.0
259.09668	1.1
261.09109	0.9
262.06198	0.7
263.09134	23.0
264.07986	0.6
265.08450	1.6
265.10834	6.7
267.10220	1.6
275.09207	0.9
276.07736	1.1
277.08453	3.5
278.09314	0.7
279.06732	0.6
279.10107	1.1
281.08218	0.7
281.11740	1.6
283.09814	0.8
289.04694	0.7
291.10147	1.2
293.07715	1.0
294.08783	1.2
295.09613	2.9
297.11206	1.1
299.09103	0.9
299.12610	1.1
300.09875	0.8
301.10641	1.3
307.09650	3.2
308.10388	0.7
309.11078	2.1
311.12723	3.0
312.09610	0.8
314.11542	0.9
315.53735	0.7
319.09546	1.0
321.11270	1.3
325.10660	1.8
327.12213	3.6
329.13882	1.7
337.10657	2.2
339.12308	6.6
341.13705	2.4
351.12173	2.6
353.13791	3.8
355.11655	8.8
355.15546	1.2
357.13171	3.6
359.14859	0.9
365.13882	1.4
369.13251	7.2
371.14780	5.6
383.14374	0.7
387.14307	96.8
388.14520	2.1
413.15692	0.8
517.18274	0.9
519.19843	1.2
549.19855	7.1
550.92706	0.7
711.24860	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	927.446
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	3.1
69.03426	3.0
69.07051	1.5
69.65571	2.6
73.02899	4.2
79.05495	2.6
81.03409	1.9
81.07047	3.5
83.04996	0.7
83.08640	0.9
84.09020	0.7
85.02887	6.1
87.11508	0.7
91.03923	3.8
91.05482	2.2
93.07027	3.4
95.04994	1.4
95.08597	1.3
97.02888	5.3
99.04430	1.3
101.02385	2.2
101.38995	0.6
101.87503	0.7
104.69249	0.6
105.06998	1.4
107.04972	1.1
107.08554	2.0
109.10160	1.1
117.07033	1.4
119.08585	1.3
121.06540	0.9
121.10154	1.0
127.03914	2.3
129.05496	1.1
131.08560	1.5
174.07188	0.7
185.04228	4.2
195.06314	0.7
199.05885	0.9
201.03650	1.0
215.81627	0.7
227.05357	0.8
227.12854	0.8
241.06720	0.7
242.08377	0.9
243.08403	4.5
255.09180	1.0
291.19421	0.7
294.99026	0.7
301.08926	12.0
315.10446	4.2
331.18948	0.9
347.09833	0.7
349.16568	4.3
355.13736	0.7
357.15002	1.2
369.15460	1.2
371.16754	0.9
373.11151	3.1
385.18289	8.7
405.13931	1.0
429.17389	1.3
443.18997	2.7
457.20416	2.0
469.20349	1.0
473.17200	1.1
485.19907	6.3
487.21735	1.0
497.19946	1.2
511.20874	1.7
519.29340	1.3
549.27496	2.5
557.22101	1.2
567.27582	4.2
569.29474	3.4
577.33044	0.8
585.24854	4.7
609.28894	2.9
621.28693	0.7
639.29352	1.3
641.31061	1.3
657.26611	1.9
681.34363	2.7
693.38281	1.9
699.30542	0.8
751.38556	1.5
765.38629	1.1
769.35693	2.9
841.36853	1.0
891.44574	1.0
909.43744	2.1
927.45605	100.0
928.45782	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	934.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.5
67.05492	22.0
69.03384	3.0
69.03703	0.6
69.07053	11.4
71.01315	0.9
71.04986	4.5
73.02858	1.1
77.03899	0.9
79.05479	30.0
81.02971	0.9
81.03401	12.1
81.07044	30.3
83.01325	5.5
83.04967	13.7
83.08604	23.6
85.02399	0.8
85.02881	10.5
85.06493	2.0
91.03902	2.6
91.05466	26.1
93.07030	34.7
95.01264	0.7
95.04952	43.3
95.08022	1.0
95.08585	16.3
97.02896	5.7
97.06522	5.5
97.10149	8.1
98.23498	1.4
99.04475	4.1
99.08037	0.8
103.05449	0.8
105.04451	1.1
105.07014	21.4
107.04254	0.8
107.04942	13.3
107.08577	23.8
109.02789	0.9
109.06504	8.7
109.10129	7.4
111.04436	9.0
111.08068	4.9
115.05408	1.6
117.06274	1.0
117.07000	10.6
119.07751	0.8
119.08557	16.1
121.06493	7.2
121.10130	16.5
122.78687	0.6
123.08051	8.5
123.11639	1.5
125.05927	1.0
125.09609	7.5
127.03851	1.5
129.06958	3.2
130.07735	1.2
131.07648	1.1
131.08537	12.2
133.06438	0.9
133.10120	12.4
135.08037	5.7
135.10748	1.1
135.11673	13.3
137.09631	3.1
139.11179	1.3
143.08496	2.8
145.04889	1.7
145.06415	1.6
145.10103	23.0
147.08017	5.1
147.11661	7.3
149.09583	16.8
149.13165	1.2
151.11140	1.5
153.09064	1.1
153.12706	3.1
155.08463	2.0
157.10065	2.0
159.11650	6.7
161.09526	1.9
161.13145	1.2
163.11154	36.1
165.09081	1.0
165.12650	2.1
169.10056	1.9
171.10156	0.9
171.11618	1.2
173.09628	4.3
173.13181	1.8
175.11110	2.0
177.12680	2.5
179.10657	0.8
181.12155	4.6
183.11639	1.9
185.13286	0.9
187.11143	2.2
189.11183	5.1
191.10612	3.2
193.12157	1.5
197.13213	1.5
205.12181	2.8
209.11722	3.9
223.13252	23.1
227.12743	5.1
229.19455	2.0
239.12758	1.2
239.17847	3.2
247.20490	1.5
257.18958	4.0
259.20593	0.9
265.14261	1.0
267.15863	0.8
275.20020	37.2
276.20425	1.1
283.15353	87.9
284.15457	1.0
293.21045	25.2
299.04367	0.6
314.94113	0.6
331.22516	1.4
349.23709	14.3
367.24741	30.9
379.92371	0.7
463.27158	0.7
477.28430	2.9
483.31009	0.9
539.33856	1.3
557.34698	28.9
558.34985	0.8
575.35706	100.0
576.35956	3.8
593.36414	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	934.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.9
67.05491	43.1
69.03416	4.5
69.07060	15.3
71.04975	7.3
73.02897	3.2
74.80183	1.7
79.05474	36.2
81.03406	14.7
81.07043	46.7
81.07498	3.5
81.56530	1.5
83.01337	4.9
83.04970	12.6
83.08610	25.6
85.02898	12.9
85.06539	2.1
91.03941	7.3
91.04927	3.5
91.05465	40.3
91.06036	2.0
93.07025	42.6
93.07599	2.9
93.31265	1.9
95.04951	25.0
95.08586	24.7
97.02871	10.7
97.06524	11.4
97.10151	6.0
99.04445	3.0
105.07015	38.8
107.04944	16.6
107.08571	26.7
109.06509	9.1
109.10123	16.5
111.04414	3.8
111.08058	6.1
115.05405	2.8
117.07008	14.7
119.08548	29.0
121.06447	8.7
121.10104	17.7
123.08072	12.0
123.11655	2.5
125.06046	1.9
125.08640	1.5
125.09625	6.1
126.00433	1.6
127.03893	2.5
128.06143	1.8
129.06990	4.1
131.08554	19.9
133.06453	3.7
133.10114	24.8
135.08051	7.4
135.11676	16.4
137.09616	6.9
139.07410	2.0
141.06969	1.7
143.08543	4.0
145.10109	29.1
147.08051	5.2
147.11679	7.0
149.09579	16.1
149.13252	2.8
149.82585	1.5
151.11159	8.1
153.12730	3.3
155.08549	3.5
157.10118	5.0
159.11641	9.9
161.09607	4.0
161.13219	4.2
161.34923	1.6
163.11154	37.1
163.12431	3.1
165.12744	3.0
169.10089	2.5
171.11690	5.2
173.09659	4.1
173.13298	4.8
175.11171	3.5
177.12732	4.1
181.12184	2.7
183.11717	2.6
185.13248	2.8
189.11179	2.6
189.12695	2.4
191.14308	1.9
193.12236	3.5
197.13257	2.6
205.12233	2.0
208.69968	1.8
209.11691	5.7
211.13199	2.8
223.13370	2.0
227.12721	5.2
229.19536	2.2
239.17873	5.1
247.20668	2.0
248.41493	1.8
253.14224	4.1
257.18900	9.7
265.14285	2.7
267.15945	1.9
273.18448	3.9
275.20013	66.1
283.15344	90.5
285.16974	2.1
291.19482	7.2
293.21045	11.5
309.20633	1.9
347.22220	2.7
349.23669	48.6
365.23157	5.5
367.24670	26.8
500.24811	1.9
539.33197	2.9
557.34564	79.4
575.35681	100.0
576.35779	4.5
591.26257	2.0
935.43146	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	934.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.3
67.05493	29.9
69.03437	3.8
69.07059	16.8
71.04967	3.6
73.02920	2.0
76.58717	1.8
79.05483	30.2
81.03416	8.6
81.07044	74.8
83.01340	5.3
83.04981	10.4
83.08598	14.2
85.02893	11.4
85.06525	2.2
91.03958	5.4
91.05472	30.2
93.07029	34.8
93.07590	2.2
95.04969	15.8
95.08595	21.5
97.02883	7.3
97.06522	6.7
97.10173	2.9
99.04432	1.8
99.08110	2.2
105.04546	2.2
105.07021	26.3
107.04939	11.5
107.08572	18.4
108.84110	1.6
109.06503	23.8
109.10112	7.8
111.04461	3.0
111.08058	4.9
117.07007	11.7
119.08570	23.8
121.06483	4.9
121.10130	14.9
123.08052	10.6
123.11717	4.8
125.09589	3.9
127.03889	2.4
129.07036	4.1
131.08568	13.8
133.06462	1.7
133.10100	18.4
135.08046	6.2
135.11668	15.6
137.05890	1.8
137.09593	4.4
138.39761	1.8
143.08479	1.9
145.04921	1.9
145.10095	19.8
147.08075	2.5
147.11649	16.8
149.09621	7.3
149.13229	5.5
153.12761	2.5
155.08507	2.5
157.10107	4.8
159.11713	6.6
161.09560	3.0
161.13229	3.7
163.06012	2.8
163.11166	23.4
163.14816	2.0
165.12717	4.0
169.10277	1.8
171.11662	3.3
173.09558	1.9
173.13254	3.1
175.11200	3.3
181.12300	3.7
183.11765	1.9
187.32167	1.7
191.10655	4.4
192.04955	1.7
195.13654	2.2
209.11713	4.7
222.93565	1.7
227.12746	6.0
247.20467	3.9
257.19116	4.1
259.20471	3.5
267.15909	2.3
271.77258	1.5
275.20016	49.5
283.15366	60.8
293.20972	13.2
299.14859	3.5
333.24252	2.7
346.36063	1.7
349.23706	31.2
367.24753	26.1
465.29810	1.7
489.27933	1.6
539.33508	6.9
557.34668	100.0
558.34277	2.4
575.35736	86.3
576.36224	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	936.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	42.9
69.03413	6.7
69.07059	21.0
71.04962	6.5
73.02905	4.7
76.05304	1.8
79.05479	49.0
81.03404	53.6
81.07043	100.0
83.04955	14.1
83.08606	24.8
85.02888	25.0
85.06519	4.1
86.97771	2.3
91.03941	2.8
91.04931	3.6
91.05465	50.5
93.07024	44.4
95.04952	29.8
95.08588	25.2
97.02856	8.7
97.06499	9.1
97.10145	6.7
105.07008	40.7
107.04943	14.8
107.08575	23.7
109.06498	24.3
109.10133	9.0
111.08053	11.0
115.05461	2.8
117.06998	7.3
119.08569	36.7
121.06471	4.4
121.10124	19.7
123.08064	9.3
123.11663	6.1
125.09619	6.1
127.07605	2.3
129.06993	10.1
131.08540	20.3
133.06465	5.0
133.10118	24.4
135.08026	5.9
135.11673	6.8
137.09648	3.4
141.06961	1.8
142.07782	2.0
143.08533	2.5
145.06425	2.6
145.10115	11.5
147.08041	3.4
147.11665	25.6
149.09567	15.9
149.13202	7.6
155.08533	1.8
157.10126	14.4
159.11670	8.9
161.09612	3.6
161.13249	3.8
163.11156	6.5
163.14799	2.0
165.12750	5.7
171.11690	3.0
173.13264	4.3
175.11163	13.2
177.12714	2.5
183.11478	2.0
185.13254	2.3
193.12225	27.6
197.13179	2.1
211.13266	31.9
229.14195	2.4
229.19357	2.9
257.18985	5.9
267.15878	28.4
269.17532	3.4
275.20029	47.7
285.16898	48.4
293.21078	13.9
349.23712	37.2
367.24728	35.1
467.31689	3.7
479.29831	3.7
541.35168	45.6
542.35602	3.3
559.36200	92.7
577.37238	83.5
591.80499	2.1
721.40259	2.3
775.01440	2.5
937.44360	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	936.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.2
67.05490	39.6
69.03419	4.2
69.06702	1.3
69.07055	17.2
70.38868	1.2
70.39205	2.1
70.98591	1.0
71.04968	5.8
73.02904	3.3
76.42559	1.0
77.03928	1.0
79.05480	43.6
81.03404	53.6
81.03888	2.5
81.07040	77.4
83.04957	14.8
83.08607	30.0
85.02888	30.0
85.06517	1.9
91.03929	4.9
91.05464	42.1
93.07026	31.4
95.04951	33.2
95.08590	23.5
97.02899	6.1
97.03415	1.1
97.06525	7.3
97.10135	6.6
98.22741	1.3
99.04440	1.7
99.08078	3.6
105.04507	2.3
105.07012	36.8
107.04922	12.0
107.07907	1.9
107.08572	18.5
109.06505	24.7
109.10141	9.9
111.04417	5.4
111.08047	10.1
113.05981	2.9
115.05455	1.2
117.06997	8.8
119.08558	31.9
120.28535	1.4
121.06480	5.6
121.10113	17.4
123.08049	8.0
123.11684	7.3
125.09589	2.7
127.03912	2.9
128.06184	1.3
129.06976	13.7
131.08551	20.5
133.06485	3.2
133.10103	22.0
135.08055	4.8
135.11707	5.7
137.09596	4.6
142.07747	2.5
143.08569	2.6
145.04904	2.7
145.10075	11.4
147.08032	4.6
147.11655	26.4
149.09596	11.9
149.13219	5.6
151.11166	3.6
155.08531	2.7
157.10098	13.7
159.11667	5.3
161.09552	1.3
161.13208	2.0
163.06026	1.7
163.11176	6.0
165.12729	6.3
168.23039	1.3
169.10103	2.8
171.07967	1.1
171.11618	3.4
173.09599	2.4
173.13202	3.2
175.11136	14.0
177.12662	1.6
181.12064	1.3
182.74135	1.2
183.11566	1.4
187.11165	1.4
189.12729	1.4
191.14293	1.9
193.12201	36.0
197.13174	1.4
211.11179	1.9
211.13252	39.5
223.13292	1.4
227.12704	2.3
229.19409	2.5
239.17998	1.6
247.20665	3.5
249.14708	1.4
257.19037	4.4
267.15848	36.8
269.17493	1.3
275.20020	52.4
276.20483	1.7
285.16907	79.5
286.17255	1.4
289.82193	1.5
291.19495	1.3
293.20993	10.3
297.16876	1.3
315.23117	1.4
330.29343	1.2
349.23685	35.3
357.20520	1.2
367.24750	26.9
449.30136	1.7
467.31448	4.2
485.32230	1.7
541.35138	59.6
542.35468	1.7
559.36206	100.0
560.36353	4.8
577.37311	55.2
578.37048	3.3
703.40436	2.0
880.47235	1.4
937.42279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.6
66.29518	1.1
67.05496	39.9
69.03420	5.2
69.07059	16.9
69.68363	2.1
69.68713	2.7
71.04977	6.4
73.02896	3.3
74.93787	1.0
77.03908	1.2
78.31059	1.3
79.05482	43.6
81.03408	51.1
81.07047	46.4
83.04510	1.9
83.04967	20.3
83.08606	38.5
85.02397	1.6
85.02895	26.7
85.06519	2.9
91.03917	2.8
91.05466	47.3
93.07031	38.7
93.07497	0.9
95.04955	68.0
95.08588	22.3
97.02872	7.1
97.06511	8.2
97.10156	12.9
98.22718	1.9
99.04436	4.9
99.08057	1.4
103.05476	1.5
105.04504	1.2
105.07018	38.5
107.04945	15.3
107.07911	2.2
107.08581	26.0
109.02956	1.3
109.06510	7.8
109.10144	13.0
111.04428	9.8
111.08057	14.5
113.05984	2.5
115.05410	2.3
117.06999	11.0
119.08567	30.7
121.06503	6.6
121.10125	18.3
123.08045	7.1
123.11687	1.7
125.05939	1.5
125.09625	9.4
128.06178	1.4
129.07001	11.2
131.08549	21.9
133.06441	3.5
133.10097	20.9
135.08058	6.6
135.11649	7.0
137.09578	4.3
139.11153	1.4
141.07010	1.8
142.07759	3.1
143.08554	3.4
145.04958	1.4
145.06459	1.2
145.10106	17.4
147.08012	4.1
147.11674	17.0
149.09602	27.5
149.13197	1.4
151.11169	2.3
153.09151	1.5
153.12733	1.8
155.08545	2.6
157.10092	12.5
159.11708	7.7
161.09642	1.9
161.13187	2.5
163.05917	1.3
163.11163	22.5
165.09071	1.6
165.12703	4.6
169.10144	3.3
171.11703	2.7
173.09599	1.5
173.13257	3.5
175.11165	16.6
177.12727	4.3
181.12209	1.7
183.11642	1.7
185.13205	1.4
187.11140	2.9
189.11198	8.2
191.10599	1.5
193.10471	2.4
193.12212	33.0
197.13216	2.2
201.12621	2.0
205.12210	4.7
207.13649	1.1
211.13252	53.1
212.13448	1.2
223.13263	29.6
227.12691	2.5
229.19391	2.0
239.17932	3.4
244.05655	1.1
247.20566	1.7
257.19009	8.8
267.15887	37.5
275.20029	54.1
283.15094	1.2
285.16925	75.4
286.17075	1.5
293.21042	32.6
298.65735	1.1
311.22049	1.8
349.23676	33.9
355.22079	1.1
367.24747	53.6
368.25058	2.8
431.29004	1.1
449.30603	1.2
479.29413	1.5
485.32272	1.1
541.35242	27.2
559.36237	69.2
560.36194	3.5
577.37292	100.0
578.37860	6.8
721.41107	1.9
936.50189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.5
65.28848	1.0
67.05495	58.2
69.03426	3.9
69.07063	14.3
71.04977	4.3
73.02905	3.2
73.33142	0.9
76.49969	0.9
77.03948	1.4
79.05481	48.6
81.03404	82.9
81.07043	59.7
82.03753	0.9
83.04971	6.8
83.08607	22.8
85.02884	8.4
85.06535	2.1
91.03955	5.9
91.05466	36.9
93.07029	47.4
95.04958	34.5
95.08591	41.8
97.02881	7.7
97.06542	4.1
97.10161	7.9
99.08088	1.6
105.04517	1.8
105.07014	28.3
107.04937	6.9
107.08576	28.2
109.02914	1.5
109.06496	4.8
109.10139	20.2
111.04464	2.8
111.08057	6.8
111.44659	0.9
115.05509	1.0
117.06998	8.6
119.08562	24.7
121.06470	5.9
121.10123	24.8
121.10968	1.6
123.04435	2.2
123.08072	2.9
123.11683	7.9
125.09608	4.5
127.03889	2.0
128.06238	1.0
129.06992	9.9
131.08548	21.8
133.06491	2.8
133.10121	14.7
135.08044	2.8
135.11668	14.4
137.09581	3.1
137.13235	1.5
142.07771	2.6
143.08540	3.8
145.04956	3.5
145.10110	11.9
147.04433	1.4
147.08075	4.7
147.11667	14.1
149.09628	5.7
149.13240	7.6
151.11237	1.0
151.14833	1.3
155.08580	2.0
157.06541	1.2
157.10091	9.0
159.11630	6.6
161.13231	5.8
163.05949	5.6
163.11189	4.5
163.14841	3.9
165.12781	2.3
169.10126	1.4
171.11674	2.3
173.09721	1.1
173.13232	7.2
175.11171	7.1
175.14842	3.0
177.12759	1.2
177.16382	1.5
179.14374	1.1
183.11754	1.2
185.13152	2.0
187.14784	4.8
189.11182	2.6
191.14380	1.2
193.12216	20.9
199.14894	1.3
201.16324	1.2
205.12085	1.1
211.13252	1.6
223.13275	1.4
227.12706	9.5
231.17596	1.1
235.13194	2.0
243.21121	6.4
247.17137	1.2
249.14774	1.9
259.13297	3.0
261.22125	26.2
267.15869	90.9
268.16202	1.6
279.23151	2.1
285.21979	1.9
294.85748	1.0
299.23776	2.0
301.14270	2.5
301.25198	7.7
305.52542	0.9
309.16937	5.9
317.24692	2.9
333.16888	1.5
335.25748	100.0
336.26111	3.1
337.27072	1.2
351.22678	1.2
389.23264	1.0
403.24609	1.3
417.26208	2.0
417.31458	1.9
421.25732	2.9
435.27234	3.3
435.32657	5.2
449.28961	1.1
453.33652	8.8
471.34836	4.6
509.36212	3.1
527.37238	77.8
528.37427	1.8
545.38287	77.5
546.38568	3.2
559.39789	2.9
569.38214	13.6
587.39246	2.8
611.39355	2.3
623.38831	3.4
635.39496	5.9
653.39783	3.6
671.41040	3.8
679.46082	1.2
758.89740	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	2.6
65.26744	1.0
67.05489	55.0
69.03404	3.2
69.07055	11.3
71.04961	4.2
73.02893	3.1
79.05476	45.1
81.03397	86.4
81.07037	63.7
82.07406	1.0
83.04960	6.5
83.08604	24.0
85.02879	8.2
85.06532	2.3
90.77235	1.0
91.03925	6.9
91.05463	35.9
93.07024	48.1
95.04945	31.0
95.08583	43.7
95.09206	2.1
97.02882	7.6
97.06513	5.5
97.10133	8.1
98.23469	2.0
99.08068	2.2
103.04792	1.1
105.04473	2.5
105.06350	1.4
105.07011	27.7
106.25283	1.0
106.43049	1.0
107.04923	8.3
107.08570	26.9
109.02824	1.4
109.06491	7.5
109.10137	20.8
111.04410	3.5
111.08060	7.4
111.11716	1.3
113.05914	1.2
115.05433	1.8
117.07001	9.1
119.08553	24.8
121.06464	4.3
121.10108	24.3
123.04413	3.1
123.08041	3.1
123.11679	7.4
125.09580	4.3
127.03877	2.6
129.06952	12.5
131.08536	21.4
133.06458	3.3
133.10085	16.0
135.08003	2.1
135.11653	15.2
137.05951	1.5
137.09549	2.7
141.06915	1.5
142.07751	3.5
143.08499	4.3
145.04916	4.3
145.10114	11.3
147.08020	2.4
147.11652	14.7
149.09558	7.1
149.13208	7.9
151.11070	1.2
151.14804	1.4
157.10095	12.7
159.08076	1.3
159.11658	7.8
161.13184	6.3
163.06007	4.0
163.07370	1.1
163.11101	4.0
163.14821	4.8
165.12700	3.9
169.10072	1.3
171.11655	2.6
173.13246	7.4
175.11121	12.1
175.14786	2.6
177.12755	1.6
179.14345	1.6
183.11658	2.1
185.13243	1.7
187.14775	3.9
189.11148	3.7
193.12184	23.5
199.14903	1.2
201.16330	2.1
205.12164	1.5
207.50636	1.2
211.13194	2.4
227.12732	10.1
233.15382	1.5
235.13229	3.5
243.21072	4.1
249.14684	1.9
259.13181	3.1
261.22098	20.1
267.15845	100.0
268.16147	2.9
273.14697	1.7
275.20245	1.3
279.23083	1.7
285.21957	1.5
293.21130	1.5
299.23563	1.5
301.14178	2.0
301.25180	8.8
309.16870	5.4
317.24603	2.7
335.25729	82.1
336.26019	2.8
343.22394	1.2
371.82980	1.2
407.24042	1.8
417.26321	1.2
417.31552	1.4
419.27673	1.7
421.25885	2.6
435.27081	3.4
435.32446	6.1
449.28674	1.2
453.33521	7.8
461.29095	1.1
471.34488	4.7
509.35590	2.9
527.37219	72.3
528.37341	3.2
545.38239	75.5
546.38599	3.2
559.39917	2.8
569.38007	7.3
577.41162	2.7
587.39362	1.6
602.53497	1.4
611.39105	2.0
623.39240	2.2
635.39227	5.0
653.40454	2.5
671.41125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	28.2
70.18256	0.8
70.78171	0.2
71.04970	0.3
73.02905	8.7
81.03433	0.3
81.07038	0.3
83.04973	5.3
83.48646	0.3
85.02892	16.1
87.04475	0.5
92.82645	0.3
97.02877	95.4
98.03226	0.3
98.22769	0.4
104.97252	0.3
111.04427	11.9
115.03912	58.6
116.04250	0.4
117.05461	0.4
121.02847	0.5
122.29129	0.3
127.03882	2.5
153.01804	0.9
153.05452	7.2
157.04938	100.0
158.05266	0.5
165.01839	0.4
171.06520	0.5
181.62746	0.3
213.05414	0.4
217.07027	4.2
273.09561	0.6
287.05450	35.3
288.05936	0.4
383.07474	0.3
449.10666	9.0
449.16858	0.4
559.14233	0.4
621.83221	0.3
721.20300	0.5
724.15637	0.3
741.65265	0.3
802.56342	0.3
852.44836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	12.5
69.67083	0.3
69.67469	0.2
70.03770	0.1
79.05486	0.2
80.17110	0.1
81.03398	0.3
81.07056	0.3
83.04971	2.5
83.08584	0.2
85.02888	0.5
91.05470	0.2
93.07071	0.2
95.04956	0.2
95.08585	0.2
97.02876	100.0
98.03217	0.5
105.06999	0.2
107.08576	0.2
111.04426	5.2
112.18583	0.1
115.03928	0.7
119.08562	0.1
121.02889	0.3
129.05443	0.1
132.24361	0.1
139.03876	27.9
153.01790	0.1
153.05441	3.1
157.04938	11.1
159.11636	0.1
169.70053	0.1
171.06546	0.2
199.05980	3.6
213.07486	0.1
217.07054	3.6
267.15848	0.1
273.09595	0.2
275.20087	0.1
287.05438	3.7
287.08585	0.2
311.05499	0.2
329.06442	0.4
365.06387	0.2
410.44345	0.1
449.10620	0.4
541.35034	0.4
659.06409	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	937.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.4
69.03419	29.4
71.43376	0.3
73.02907	9.4
73.57095	0.3
83.04969	5.5
85.02892	15.3
87.04471	0.3
97.02877	93.5
98.03209	0.4
111.00800	0.3
111.04424	13.2
115.03913	59.0
116.04256	0.7
121.02867	0.4
127.03883	2.7
129.05504	0.3
129.42300	0.3
153.01779	0.8
153.05441	7.2
157.04941	100.0
158.05258	1.0
165.01759	0.4
171.06522	0.5
213.05450	0.5
213.07416	0.4
217.07036	3.8
258.05252	0.4
271.27994	0.3
273.09692	0.7
287.05457	37.3
288.05557	0.4
299.05447	0.3
363.40466	0.3
436.23343	0.3
449.04797	0.3
449.10764	6.8
465.39523	0.3
721.19318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.4
66.97673	1.6
66.99608	1.6
67.05494	100.0
69.03430	11.5
69.07059	35.6
69.59512	6.7
70.06567	1.5
71.01329	5.3
71.04976	8.1
73.02901	7.0
75.00005	1.6
77.03928	1.3
78.89973	1.3
79.05479	72.3
80.06257	2.1
81.03404	15.6
81.07044	84.5
82.07378	1.8
83.04970	21.2
83.08608	19.5
85.02882	7.9
85.06532	3.1
87.04440	2.4
89.01525	1.6
91.03950	3.4
91.05463	54.1
93.07030	57.9
94.04166	2.4
94.07870	1.4
95.01352	2.3
95.04951	32.8
95.08586	39.6
95.77020	1.5
96.05738	4.5
97.02870	19.1
97.06517	14.8
97.10159	24.4
97.81747	1.8
98.07297	4.0
99.04443	2.8
99.08065	3.9
101.06002	2.5
103.05449	2.3
105.04556	3.1
105.07018	32.4
107.04936	24.9
107.07841	1.7
107.08569	37.6
109.02894	3.6
109.06496	25.2
109.10136	51.0
110.07247	1.6
111.04424	5.6
111.08039	8.4
115.05450	4.6
116.04687	11.7
117.01089	1.8
117.07012	21.5
119.04942	1.8
119.08563	36.7
121.02813	1.6
121.06478	11.6
121.10142	20.1
122.07294	2.0
123.04392	5.7
123.08042	16.0
123.11652	4.3
125.05990	3.4
125.09602	24.7
127.11197	2.5
128.06223	2.4
129.04547	2.6
129.05461	34.2
129.06914	8.5
131.08554	20.6
133.06474	8.4
133.10095	19.1
135.08054	16.0
135.11684	12.6
136.08824	2.3
137.05980	1.5
137.09596	26.2
138.10376	5.8
139.07486	1.9
139.11150	2.0
141.07013	2.6
143.07004	8.8
143.08582	8.1
143.10686	2.1
145.06503	5.2
145.10112	17.0
147.08069	10.0
147.11662	10.1
149.02350	4.1
149.05992	1.9
149.09590	15.4
149.13226	5.3
151.07549	2.7
151.11154	4.5
151.71185	1.6
153.09085	8.0
153.12668	2.3
155.08499	2.9
155.10678	4.9
157.08580	19.8
157.10083	8.8
159.08006	6.0
159.11681	7.1
161.09619	11.8
161.13220	5.2
163.07477	3.1
163.11174	14.6
165.09102	4.6
165.12724	2.3
167.10698	4.1
169.10057	3.2
171.10118	9.1
171.11548	3.5
173.09612	6.0
173.11711	16.0
173.13130	2.6
175.11198	6.1
177.12663	1.9
179.10609	2.4
181.12209	3.9
183.11674	2.7
185.09695	2.1
185.11783	3.0
185.13260	2.6
187.11130	2.0
189.09142	1.4
189.11156	8.3
189.12688	2.6
191.10637	4.8
193.04852	1.5
193.12216	8.7
197.07304	2.2
199.09564	2.3
199.11505	1.7
199.13254	7.1
199.14827	1.9
200.14014	4.3
201.12828	1.9
209.11670	3.9
217.14273	4.1
221.11642	4.3
223.13216	2.2
227.10719	2.2
227.12692	11.2
229.14302	28.4
229.16379	2.9
233.15492	2.0
239.12692	3.7
241.14249	2.2
245.13757	2.6
245.18953	5.0
259.20435	1.6
261.18463	3.8
261.22067	4.8
267.15906	3.0
271.16882	5.2
273.18414	29.8
283.15213	4.6
289.17957	15.2
290.18729	2.8
291.19519	15.1
295.15338	2.9
299.14890	2.4
300.15219	1.8
301.16431	5.7
309.16089	2.0
313.16440	2.0
325.15506	4.0
335.25729	18.8
347.22180	10.9
363.21597	4.7
365.23087	15.9
381.22485	7.9
383.19641	4.2
399.19327	4.8
399.23758	44.1
417.20303	59.6
467.26151	6.9
477.35593	3.0
519.32782	3.5
543.36401	6.4
561.37970	9.3
571.30078	6.8
637.40955	3.1
655.32867	1.8
673.37756	3.0
689.38025	3.8
705.39874	1.9
707.39276	14.5
714.14899	1.6
723.37970	3.3
741.39661	52.7
742.39661	1.9
938.44336	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	939.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.1
69.03430	2.9
69.07059	1.1
69.59387	1.3
71.04990	0.8
73.02918	2.5
79.05492	2.4
81.03433	2.1
81.07031	2.5
83.04994	1.2
83.08616	1.4
85.02898	4.5
91.03475	0.5
91.03944	3.2
91.05488	1.9
93.07056	1.9
95.04972	1.1
95.08612	1.6
97.02873	4.3
97.10144	0.4
99.04463	1.3
101.02393	2.1
102.17902	0.4
105.07056	1.3
107.04954	0.6
107.08611	1.3
109.10131	0.7
111.04481	0.7
119.08588	0.8
121.10152	1.4
123.11703	0.5
127.03922	1.5
131.08627	0.6
133.10156	1.0
135.11699	0.9
145.10167	0.9
149.09570	0.6
157.10153	0.7
163.11163	2.2
181.12209	0.5
185.04219	0.8
195.20856	0.5
203.05177	0.8
223.13202	0.6
243.08406	2.4
275.20038	0.5
283.15402	0.6
333.20502	1.3
347.09201	2.3
365.10541	0.7
370.67816	0.5
389.23068	0.9
405.13669	6.7
467.19006	6.4
551.28210	5.0
629.24097	5.3
713.33417	3.7
777.40662	1.8
939.45374	100.0
940.46191	6.1
953.15167	0.5
959.23901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	0.2
71.04987	0.4
81.03407	19.0
83.01341	0.2
83.84870	0.1
85.02887	0.5
91.05508	0.1
97.02879	10.7
98.22712	0.3
99.04424	0.9
100.67550	0.1
103.03883	0.2
109.02863	100.0
110.03189	0.6
127.03897	31.1
128.04225	0.2
139.03876	5.2
141.05382	0.1
145.02837	0.2
145.04955	0.1
151.03841	0.2
169.04936	31.1
170.05321	0.3
176.07562	0.1
177.05415	0.3
177.65851	0.1
187.05927	0.2
194.58626	0.1
211.05969	2.2
211.07817	0.2
218.21553	0.1
229.06964	0.2
239.61166	0.1
263.22360	0.1
271.08044	0.2
278.81476	0.1
287.05478	3.2
289.42224	0.1
331.10172	1.1
449.10626	0.5
681.18579	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	2.2
69.03432	2.6
69.07063	1.5
73.02920	2.9
74.80025	0.6
79.05495	2.3
81.03403	3.5
81.07035	3.2
85.02885	6.2
86.06060	0.9
87.04469	1.3
91.03962	2.9
91.05504	2.3
93.07038	1.5
95.04951	1.1
95.08598	1.7
97.02867	5.8
101.02402	1.3
105.07061	1.9
107.08573	1.7
109.02842	1.1
119.08542	1.7
121.06531	0.9
121.10162	0.9
123.11664	0.7
127.03906	1.1
133.10114	1.1
133.13481	0.7
145.04955	0.7
147.11700	1.2
150.47365	0.8
157.10146	0.7
169.40134	0.6
185.04388	0.8
193.12289	1.1
218.03839	0.7
243.08507	1.5
315.18958	0.7
333.20413	2.0
347.09711	2.3
363.08908	0.9
392.87888	0.8
405.13586	5.3
469.20428	6.0
546.33923	0.9
551.28241	4.4
585.25281	0.9
631.25696	7.7
713.33270	2.1
779.40027	1.0
880.47852	0.9
941.46948	100.0
942.47571	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	941.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.1
69.03410	3.5
69.07056	1.2
69.77264	1.3
69.77621	1.4
71.05000	0.6
73.02923	2.7
75.77720	0.6
79.05476	2.9
81.03405	2.7
81.07065	2.3
83.04990	1.0
85.02895	6.0
90.41727	0.6
91.03949	3.1
91.05495	2.0
93.07055	2.5
95.04996	1.9
95.08617	0.8
97.02879	4.8
98.23431	0.6
101.02392	1.7
105.07062	1.7
107.08614	1.2
108.95210	0.6
109.02865	1.0
109.10222	0.6
119.08578	0.6
121.10145	1.1
124.36289	0.6
127.03963	1.7
127.11522	0.7
131.08586	1.2
133.10152	1.3
135.11760	0.6
145.10178	0.8
147.11768	1.1
149.09662	0.9
163.11237	0.9
185.04210	0.7
193.12277	1.2
193.17059	0.6
197.52217	0.6
243.08537	2.0
251.12518	1.0
275.20245	0.8
333.20477	1.1
347.09509	1.4
402.50302	0.6
405.13638	5.7
442.92398	0.7
469.20325	8.7
486.36798	0.6
551.28162	5.7
631.25702	6.0
713.33276	2.8
779.42010	2.0
822.70825	0.7
941.47003	100.0
942.47186	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	941.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	3.0
67.05760	0.3
69.03421	4.1
69.07049	0.6
69.09987	1.2
69.10394	0.8
71.01355	0.5
71.04995	0.8
73.02917	3.7
75.06984	0.3
79.05473	2.7
81.03413	2.8
81.07053	3.3
83.04970	0.4
83.08636	0.4
85.02893	6.3
87.04465	0.6
91.03934	3.4
91.05461	2.4
93.07043	3.2
94.85941	0.4
95.04965	1.0
95.08592	2.5
97.02882	6.3
98.22602	0.6
99.04482	1.2
101.02362	1.8
105.07018	1.5
107.04980	0.4
107.08605	1.3
109.02834	0.6
109.10161	1.1
115.03963	0.6
117.07043	0.5
119.08589	1.0
121.10149	1.3
123.11713	0.4
127.03917	2.0
129.06947	0.4
131.08611	0.8
133.10181	0.8
135.11676	0.4
141.97963	0.3
145.04965	0.4
147.11681	0.7
149.09584	0.5
175.11253	0.3
184.20891	0.3
185.04260	0.9
193.12305	0.6
197.99532	0.3
203.05330	0.9
243.08372	2.3
259.07761	0.3
267.15979	0.4
269.12442	0.3
283.15125	3.1
335.26096	0.5
339.17871	0.6
341.78650	0.4
347.09451	2.5
363.09109	0.6
365.10358	1.4
377.81250	0.3
405.13589	6.7
492.82330	0.3
501.22937	5.7
519.29242	6.6
519.36292	0.5
663.28210	4.0
681.34399	7.7
705.73804	0.4
779.44604	1.9
941.50616	100.0
942.50922	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	941.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	3.1
69.03420	2.9
69.07066	0.6
69.19101	2.5
71.01325	0.5
71.04986	0.7
73.02908	3.2
79.05503	2.6
81.03406	3.2
81.07048	3.5
83.04984	0.6
83.08621	0.8
85.02899	4.8
87.04472	0.5
91.03952	2.6
91.05447	2.2
93.07020	2.5
95.04969	1.2
95.08564	1.8
97.02874	4.3
97.06569	0.4
97.10172	0.5
99.04453	0.7
101.02401	1.4
102.03800	0.4
103.03919	0.4
105.07060	1.2
107.08609	1.4
109.02892	0.5
109.06554	0.6
109.10202	0.7
119.08595	1.0
121.10183	1.3
127.03935	1.1
131.08563	0.8
133.10143	0.9
135.11734	0.6
145.04993	0.4
147.11696	0.8
149.09653	1.1
156.51656	0.4
156.94637	0.4
157.10175	0.7
166.43010	0.4
175.11191	0.5
180.66396	0.4
185.04362	0.5
193.12305	1.0
203.05359	1.0
243.08351	2.1
259.08212	0.5
267.16043	0.5
274.48575	0.4
283.15073	2.1
347.09503	2.2
356.56494	0.4
365.10577	1.3
405.13528	4.8
501.22955	8.3
503.01682	0.5
519.29156	4.5
519.35004	0.4
663.28174	6.5
664.29517	0.4
675.36346	0.5
681.34308	4.1
706.57483	0.5
779.45551	2.0
867.99902	0.5
878.33716	0.5
941.50647	100.0
942.50854	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	948.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	18.7
69.03423	3.6
69.06705	1.2
69.07059	12.4
70.29636	1.6
71.01362	1.4
71.04983	2.9
71.08611	0.6
73.02908	1.9
79.05481	22.7
81.03403	12.3
81.07044	28.4
83.01320	6.3
83.01691	0.6
83.04967	11.0
83.08606	11.5
85.02895	11.2
85.06531	1.3
91.03957	4.3
91.05468	19.8
93.07028	23.9
95.04942	10.9
95.08586	8.8
97.02872	6.8
97.06522	5.5
97.10159	7.7
98.22791	0.9
99.00808	1.6
99.04457	2.8
103.05471	1.1
105.04485	1.1
105.07013	13.4
107.04945	8.9
107.08577	17.3
109.02872	4.0
109.06508	7.8
109.10126	4.7
111.04424	4.1
111.08086	2.7
115.03911	0.6
115.05448	1.3
117.07004	10.3
119.08562	11.8
121.06501	5.9
121.10122	7.2
123.04433	2.0
123.08043	7.7
123.11715	0.7
125.05981	1.4
125.09602	7.4
127.03924	2.3
129.06989	3.1
130.07811	1.0
131.04932	0.8
131.08565	5.3
133.06468	1.3
133.10106	8.6
134.06372	0.6
135.08040	11.2
135.11674	9.0
137.09586	3.8
139.07523	1.2
143.08578	3.7
145.04982	1.5
145.06480	3.9
145.10112	13.3
147.08032	2.7
147.11694	2.3
149.06041	1.1
149.09616	1.7
151.11147	1.8
153.09085	1.9
153.12726	3.4
155.08510	2.0
157.10124	1.5
159.08032	3.3
159.11697	1.3
161.09567	4.9
163.06055	2.3
163.07552	6.7
163.11160	18.7
171.08067	1.2
171.11623	0.7
173.09662	3.0
175.11110	1.4
177.09181	0.8
179.10666	2.0
181.08743	0.6
181.12221	4.1
183.11661	1.0
189.09108	2.6
189.11143	3.2
191.10580	3.2
193.12215	13.1
209.11649	4.8
211.13268	0.9
227.12755	8.1
239.12791	0.9
243.17442	1.8
245.04608	0.8
261.18515	2.2
267.15979	1.7
271.16876	3.8
283.15350	73.0
284.15720	1.0
289.17938	17.5
307.19019	4.1
345.20609	0.9
363.17435	1.2
363.21585	7.2
379.20905	1.4
381.22665	57.7
382.23093	1.4
453.24829	1.1
455.16437	0.7
475.26926	2.2
491.26022	1.1
553.31506	2.2
571.32550	18.2
572.33893	0.8
589.33606	100.0
590.34082	4.4
936.90381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	22.4
69.03415	4.4
69.07056	14.5
70.67683	1.5
70.68015	1.4
71.04981	4.5
73.02896	2.6
79.05479	29.5
79.89594	1.1
80.28888	1.1
81.03406	48.0
81.07044	37.1
83.04967	11.9
83.08611	18.7
85.02887	19.1
85.06534	2.7
91.03938	4.7
91.05468	30.2
93.07037	20.8
95.04954	24.3
95.08598	11.7
97.02891	9.3
97.06512	7.8
97.10176	10.8
99.04445	3.2
99.08085	1.4
105.04546	1.4
105.07011	19.8
107.04933	9.9
107.08580	15.5
109.02870	4.1
109.06501	7.0
109.10135	6.1
111.04422	3.4
111.08069	10.5
115.05460	1.9
117.06995	8.8
119.08572	21.9
119.52206	1.1
121.02863	1.1
121.06507	5.4
121.10117	7.8
123.04453	1.4
123.08019	3.3
123.11697	1.9
125.09607	6.7
127.03888	2.9
129.06969	9.7
131.08546	13.7
133.06508	3.0
133.10100	15.1
135.04510	1.2
135.08032	9.4
135.11697	3.6
137.09601	3.6
142.07790	2.6
143.08554	2.8
145.04991	1.3
145.06493	2.2
145.10118	6.9
147.08012	6.3
147.11646	10.8
149.09628	6.8
151.07544	1.1
153.09096	2.6
153.12698	2.5
157.10126	11.8
159.08014	3.2
159.11720	1.3
161.09598	5.7
163.06181	2.1
163.07516	5.7
163.11182	4.4
164.30811	1.1
165.12733	2.7
171.08032	1.5
173.09576	2.2
175.11151	11.4
179.10663	2.5
181.12206	2.2
189.08995	1.1
189.11197	4.4
191.10664	3.2
193.12212	36.4
199.11223	1.1
211.13251	38.4
227.12698	7.1
243.17493	1.5
261.18506	2.5
265.14307	1.3
267.15866	22.1
271.16858	2.7
273.18515	2.0
275.20004	1.2
283.15375	9.8
285.16910	36.3
285.19955	2.2
289.17923	16.8
291.19492	2.3
307.18930	4.7
329.20926	1.4
345.20541	1.3
363.21457	9.1
365.22858	1.9
381.22659	37.2
382.23029	1.3
404.35947	1.2
475.26697	4.8
477.28354	3.2
481.29465	2.0
493.27625	3.3
499.30502	2.0
537.31891	1.4
555.32983	23.6
573.34131	43.6
574.34662	1.2
591.35187	100.0
592.35223	4.8
821.84924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	35.2
68.05845	0.9
69.03437	5.5
69.07061	13.4
71.01359	1.1
71.04977	5.1
72.99516	0.8
73.02905	2.5
75.78076	1.0
79.05481	43.0
79.89799	0.9
81.03400	15.8
81.07047	69.4
83.01323	4.9
83.04973	22.0
83.05387	0.7
83.08611	20.5
85.02883	11.0
85.06537	2.2
90.63462	0.9
91.03942	3.9
91.05466	28.5
93.07032	38.4
95.04953	20.5
95.08591	19.7
97.02888	6.2
97.06512	9.4
97.09702	0.6
97.10159	22.3
99.04447	2.8
99.08083	2.0
103.05473	1.9
105.04482	2.6
105.07017	24.6
107.04940	16.2
107.08578	27.8
109.02879	1.0
109.06502	12.3
109.10126	8.9
111.04437	13.4
111.08065	7.3
115.05453	2.1
116.06203	1.1
117.06997	16.9
119.05013	1.1
119.08563	24.1
119.41505	1.0
121.06489	9.2
121.10126	17.9
123.08053	22.5
123.11716	1.2
125.05960	2.4
125.09615	20.5
125.10500	1.7
127.03880	1.7
128.06189	2.0
129.05505	0.9
129.06985	6.8
130.07745	1.3
131.08563	14.1
133.06454	2.6
133.10110	9.5
135.04402	1.2
135.08035	9.1
135.11668	19.1
137.09624	4.7
139.11180	1.6
143.08574	6.0
145.04900	1.2
145.06459	3.8
145.10103	24.9
147.08040	11.1
147.11667	5.1
149.09572	7.7
151.11171	1.1
153.09081	3.3
153.12695	6.6
153.66353	1.0
155.08557	3.6
157.10101	5.6
159.08052	1.9
159.11674	5.1
161.09607	9.5
161.13243	1.7
163.05978	1.7
163.11160	36.1
165.09143	4.3
169.10161	1.3
171.10309	1.2
171.11702	3.1
173.09602	7.0
173.11765	1.2
173.13213	1.2
175.11171	4.0
177.12750	1.9
179.10565	1.0
181.12181	8.6
185.09612	1.3
185.13240	2.4
187.11263	1.3
189.11212	12.8
189.12726	2.2
191.10623	5.7
193.12239	3.5
195.11652	2.0
199.11169	1.1
209.11667	6.2
213.12677	1.2
213.16426	1.2
223.13281	4.8
227.12727	25.8
227.17870	2.0
245.13777	1.2
245.18974	3.9
249.14793	1.4
255.17451	3.8
263.19852	0.9
265.14294	1.6
267.15961	1.2
273.18445	31.6
283.15363	100.0
289.17725	1.3
291.19504	68.8
292.19693	1.7
301.16479	1.6
309.20541	9.8
311.20190	1.5
316.40921	0.9
329.20953	1.9
347.22119	9.9
365.23169	40.2
383.24210	15.8
453.24683	5.7
463.28174	1.3
477.28375	1.8
481.28992	1.6
499.30240	1.1
509.27325	5.9
537.31885	2.8
545.34894	1.5
555.33142	20.3
556.32886	1.2
573.34119	89.4
574.34137	2.4
591.35168	67.6
592.35553	2.9
717.38300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	47.1
69.03418	8.1
69.07056	19.0
71.01346	1.3
71.04984	5.9
73.02909	6.3
77.03915	1.7
79.05481	48.5
81.03405	20.0
81.07046	43.6
82.04197	4.6
82.07355	1.0
83.04964	18.1
83.08607	33.6
84.02084	1.0
85.02885	12.8
85.06528	3.7
87.04438	1.7
91.03950	4.2
91.05465	40.0
93.07034	43.4
95.04954	69.9
95.08590	25.5
97.02894	6.4
97.06510	9.4
97.10152	20.5
98.07324	5.5
99.03867	0.9
99.04440	4.9
99.08079	2.7
101.05973	1.2
103.05436	2.1
105.04493	2.1
105.07017	31.6
107.04941	16.9
107.08578	32.6
109.06493	9.7
109.10141	18.5
111.04431	10.4
111.08064	10.4
113.05987	1.4
115.05425	1.9
116.04709	11.0
117.05528	0.9
117.07002	15.0
119.08562	26.6
121.06496	9.4
121.10119	19.9
122.07259	1.0
122.10942	0.9
123.04391	0.9
123.08058	11.9
123.11691	3.1
125.06036	2.0
125.09619	23.0
125.10487	1.7
127.03888	1.3
127.07615	1.6
127.11221	1.9
129.05464	28.7
129.06927	6.6
129.84683	0.8
130.07758	2.0
131.08546	20.1
133.06468	2.4
133.10104	25.0
135.04442	1.0
135.08041	8.5
135.11684	14.0
137.09612	6.7
139.07526	1.5
139.11148	2.8
142.68652	0.8
143.07022	7.4
143.08568	2.3
143.10646	1.9
145.04915	1.2
145.06467	2.5
145.10097	24.9
145.11198	1.5
147.08014	6.1
147.11659	13.4
149.09592	27.5
149.13200	2.6
151.11182	3.4
153.09087	3.3
153.12729	3.8
155.08505	1.2
157.08594	13.7
157.10107	7.4
158.05679	1.2
159.08029	1.6
159.11644	10.1
161.09561	4.3
161.13196	3.0
163.05975	2.3
163.11159	37.5
165.12738	4.2
169.10117	3.0
171.06520	3.2
171.10146	5.1
171.11690	3.3
173.09653	5.1
173.11700	2.2
173.13268	3.5
175.11229	5.3
175.14751	1.6
177.12671	4.7
179.10741	1.4
181.12157	4.3
183.11659	2.0
185.11748	2.1
185.13255	1.8
187.11192	4.5
187.14818	1.5
189.11208	19.3
189.12701	1.3
191.10677	4.8
191.14279	1.0
193.08618	0.9
193.12204	9.2
197.13277	1.9
199.13280	7.0
199.14836	1.1
200.14108	2.4
201.12782	1.9
201.14705	1.1
205.12152	7.3
205.19415	1.1
207.13776	1.6
209.11652	6.1
211.13264	6.7
215.14400	1.1
215.18022	1.4
219.13795	1.8
223.13251	38.1
227.12727	14.3
229.14403	1.5
229.19463	2.5
237.14737	1.3
239.17963	3.1
241.14328	1.0
247.20534	2.5
253.14438	1.0
255.15840	2.1
257.18951	11.1
267.15854	12.9
273.18378	4.8
275.20016	55.9
276.20230	1.3
283.15326	13.2
284.16000	1.7
285.16861	2.0
291.19482	11.0
293.21063	38.0
301.16403	82.4
302.16873	1.4
311.22357	1.5
329.21307	1.2
349.23654	21.2
365.23312	2.0
367.24731	47.9
390.12161	1.0
421.25449	1.0
455.26440	1.1
473.32269	1.1
474.12305	0.9
485.72653	1.0
492.34082	0.9
503.34055	1.3
509.34525	1.1
511.32043	1.0
521.34723	6.0
539.33594	1.8
541.34955	2.7
557.34650	7.5
558.35248	4.6
559.36322	7.6
575.35687	34.8
576.36127	3.8
593.36761	100.0
594.36517	2.0
611.37665	2.0
655.41913	1.1
737.40161	1.4
769.62903	1.1
805.45459	1.1
879.85168	1.1
952.44897	1.1
953.41791	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	57.0
69.03415	9.5
69.06692	1.6
69.07053	20.2
70.03572	2.8
71.04979	7.4
73.02891	3.2
77.03857	1.2
77.35701	0.9
79.05476	62.2
81.03402	74.1
81.07040	94.7
83.04963	29.5
83.08601	35.0
85.02393	1.9
85.02890	34.9
85.06522	4.6
91.03948	4.8
91.05462	59.2
93.07028	47.4
95.04948	48.0
95.08588	24.3
97.02888	8.0
97.06513	11.0
97.10152	30.4
97.10798	1.1
99.04431	4.4
99.08062	4.3
103.05460	1.5
105.04502	3.6
105.07010	47.7
105.07727	2.3
107.04934	22.5
107.07831	1.5
107.08570	31.4
109.02839	1.3
109.06503	16.4
109.07223	1.7
109.10126	13.5
111.03674	1.5
111.04430	17.8
111.08062	16.1
113.05956	3.2
115.05412	3.2
117.06998	16.7
119.04896	1.5
119.08558	46.3
119.09412	2.3
121.06494	9.9
121.10121	24.0
123.04427	1.9
123.08043	25.8
123.11674	3.9
125.06029	1.9
125.09612	28.3
127.03895	2.6
128.06200	3.4
129.05469	1.4
129.06976	18.2
130.07771	1.6
131.08540	28.6
133.06462	7.7
133.10112	19.7
135.08054	8.8
135.11676	10.9
137.05957	1.3
137.09593	9.1
137.13199	1.5
139.11150	1.9
141.06900	2.1
142.07759	5.7
143.08536	7.3
145.04951	2.3
145.06436	3.3
145.10098	23.2
147.08023	16.3
147.11661	22.2
149.09586	12.6
149.13205	2.0
151.11147	2.7
153.09059	3.9
153.12735	7.4
155.08524	3.5
157.10091	22.2
159.08035	4.1
159.11659	7.2
161.09579	12.4
161.13139	1.4
163.11154	24.8
165.09097	7.0
165.12704	4.9
167.08528	1.0
169.10089	3.0
171.08006	1.5
171.10246	2.1
171.11670	6.2
173.09578	4.6
173.11780	1.2
173.13235	1.7
175.11163	21.8
177.12633	1.9
181.10052	1.4
181.12183	7.7
183.11649	1.8
185.09645	1.3
185.13258	3.0
187.11185	2.3
189.11211	19.3
189.12755	2.2
191.10594	6.6
193.12201	51.0
195.11647	2.5
195.13649	1.1
199.11156	2.2
201.12653	1.1
203.14151	1.3
205.12241	1.7
205.87837	0.9
206.90247	0.9
209.11600	2.0
211.13242	62.2
213.12650	1.0
217.32985	0.8
223.13274	6.6
227.12721	30.4
227.17903	2.7
229.14198	1.1
231.17276	1.4
237.16426	1.3
245.13765	1.3
245.18999	4.1
247.20522	1.1
249.14778	3.7
255.17494	6.0
263.20035	2.7
267.15848	31.5
273.18448	44.3
283.15280	6.6
285.16913	85.2
286.17136	1.1
291.19479	93.0
309.20560	12.0
313.21567	1.7
329.20944	1.4
331.22467	1.7
347.22171	14.7
365.23169	56.1
366.23471	1.6
383.24197	22.6
407.24304	1.6
431.28107	1.2
437.25153	2.1
447.28000	3.2
455.26215	3.9
461.28864	1.4
465.29819	4.6
475.26169	1.4
483.31158	4.8
493.27814	1.8
501.31677	1.4
511.28601	1.4
539.33588	15.6
557.34625	66.0
558.34753	2.0
575.35675	100.0
576.35785	2.3
584.81018	1.0
593.36737	57.9
594.37006	1.6
667.28192	1.6
684.99908	1.2
701.38245	1.1
719.39258	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	4.6
69.03410	3.2
69.07072	1.8
71.01374	0.9
73.02923	2.5
79.05478	3.9
79.47852	0.5
81.03394	3.4
81.07050	4.1
83.04985	1.4
83.08630	1.8
85.02900	5.1
91.03935	3.3
91.05466	3.7
93.07016	4.2
95.04978	2.5
95.08614	1.5
97.02879	5.3
97.06541	1.0
97.10179	1.3
99.04453	1.7
101.02383	0.9
105.07047	2.6
107.04967	1.8
107.08620	2.3
109.02879	0.9
109.06537	1.3
109.10192	2.0
111.04410	1.0
111.08111	0.8
117.07035	1.5
119.08598	2.7
121.06506	1.0
121.10165	1.5
123.08073	1.1
125.09622	0.9
127.03947	1.8
129.07022	0.9
131.08562	1.4
133.10132	1.7
135.08099	1.0
135.11716	1.8
145.10144	2.1
149.09625	0.9
153.12836	0.8
157.10054	0.7
159.11781	0.8
161.09659	0.8
163.11226	2.0
189.11235	0.8
203.05254	1.0
224.55345	0.6
227.12865	0.7
243.08562	2.6
275.19992	1.4
283.15460	2.3
291.19379	0.6
336.22269	0.6
347.09503	2.9
347.18228	1.0
363.09158	1.1
365.10437	0.6
405.13608	6.6
467.18866	6.8
467.24515	0.7
557.34430	1.0
558.34943	1.5
565.26251	2.8
575.35815	1.3
575.92810	0.6
576.36121	1.4
620.82050	0.6
629.24182	6.5
665.31311	0.8
701.26117	0.7
727.31274	2.6
791.37292	1.3
953.43329	100.0
954.43726	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	955.45
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	3.0
69.03423	2.7
69.07064	2.0
71.01328	0.5
71.04981	0.8
73.02899	3.2
79.05468	2.7
81.03387	2.8
81.07046	3.6
83.04977	0.9
83.08620	0.7
85.02897	4.9
85.13410	0.5
87.04466	0.5
91.03432	0.4
91.03931	2.7
91.05457	2.4
92.05816	0.5
93.07028	3.0
95.04970	1.4
95.08607	1.5
97.02882	5.4
97.06545	0.6
97.10138	1.0
99.04458	0.8
101.02372	1.8
105.07052	2.0
107.04947	0.8
107.08584	1.4
109.06553	1.1
109.10172	1.0
111.04452	0.7
115.98461	0.4
117.07021	0.7
118.98132	0.5
119.08590	1.6
121.10172	1.1
123.08084	0.8
125.09629	0.6
127.03945	1.5
131.08572	0.8
133.10141	1.1
135.08067	0.7
135.11671	1.0
145.10101	1.1
147.11694	0.6
163.11258	1.6
165.31599	0.5
181.12210	0.6
193.12306	0.5
198.37532	0.4
201.03734	0.7
203.05321	0.5
227.12787	0.5
233.69302	0.5
239.79143	0.6
243.06371	0.5
243.08261	2.2
267.15848	0.9
273.18454	0.5
283.15289	0.6
327.10779	0.6
341.39908	0.5
347.09631	1.8
349.19812	1.5
363.09091	1.4
405.13651	5.7
451.19409	0.6
467.18936	4.5
513.80908	0.5
560.36774	1.3
567.27728	3.0
629.24048	5.2
701.26410	0.6
729.32709	2.6
793.38843	0.6
955.44885	100.0
956.45306	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	956.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05480	1.3
69.03420	2.2
69.54771	2.4
69.55141	1.4
70.06587	2.6
75.04494	0.7
77.03935	0.9
78.04721	1.4
79.05473	4.0
81.03410	3.4
82.04190	0.9
85.02893	7.2
89.03910	1.2
91.05467	8.3
93.03394	5.6
93.07050	1.9
94.04168	1.3
95.04948	5.0
97.02875	2.4
97.06545	1.3
98.22743	1.7
98.95019	0.8
103.05450	20.0
105.03426	1.0
105.04459	1.3
105.07018	5.3
106.04158	7.6
107.04949	8.8
108.02084	0.9
109.02896	2.3
109.06558	1.4
110.03646	1.8
111.04445	1.7
112.07597	2.1
115.03948	0.9
115.05452	5.1
117.03410	0.8
117.06992	4.5
118.03420	0.7
118.04114	3.6
119.04920	5.5
121.06496	8.7
122.03641	1.8
123.04413	3.5
124.05182	1.2
125.05984	4.4
127.03929	2.3
128.06195	1.0
129.06984	1.3
130.04150	1.1
131.04907	24.7
131.08594	1.3
132.05693	1.4
133.02809	4.0
133.06462	6.3
134.03627	3.1
135.04425	1.9
135.08061	3.0
137.02367	1.1
137.05956	25.7
138.03052	1.2
139.07529	1.4
140.04391	0.7
140.07130	1.0
141.06934	1.0
143.04910	2.5
144.05696	1.4
145.02858	1.8
145.06432	6.5
146.03595	1.1
147.04384	5.5
147.08038	3.0
148.05167	10.6
149.05959	15.3
151.03885	28.7
151.04939	1.6
151.07545	3.5
152.04709	1.5
153.05406	5.0
153.09082	3.8
155.04829	0.9
155.05995	0.8
156.05650	1.0
157.06480	2.3
159.08049	2.3
159.24268	0.8
160.05154	2.7
161.05960	8.7
163.03882	1.2
163.07513	26.6
165.05470	2.7
165.09099	1.2
167.07014	49.8
171.06511	3.1
173.05957	11.4
174.06664	1.2
175.07523	6.1
176.04588	3.6
177.05449	11.4
178.06131	1.1
179.07024	8.6
181.04926	68.1
181.08458	8.3
183.06479	1.1
187.07478	5.0
189.05489	2.3
189.09122	2.6
190.06279	3.6
191.06993	100.0
192.07475	2.6
193.05086	1.2
193.08502	4.7
195.06551	3.9
201.05406	1.8
201.09087	1.1
203.07019	4.9
205.08545	11.0
207.06468	2.5
207.10196	2.2
209.08046	47.6
215.06882	0.8
217.08569	6.1
219.08195	1.5
219.10031	4.9
221.08067	1.9
225.07436	1.2
229.08598	1.1
233.08017	6.1
235.07480	1.1
235.09569	7.4
237.09204	2.1
245.08128	2.4
248.08336	1.0
249.09143	0.9
259.09735	1.4
263.09119	30.8
265.08356	1.8
265.10809	3.6
267.10184	2.8
277.08572	1.7
279.10077	1.6
285.07559	0.9
292.07346	1.1
293.07928	1.2
295.09512	1.7
297.11151	2.3
307.09607	2.2
308.10513	1.0
312.09909	1.1
319.09607	1.0
321.11148	1.1
325.10641	3.2
327.12207	1.7
329.10342	1.5
329.14026	1.3
337.10535	1.2
339.12292	3.4
341.13214	1.0
355.11670	2.3
357.13278	6.2
365.13452	1.2
367.11627	2.2
369.13266	4.6
382.33466	0.9
383.15158	0.9
385.12671	10.9
387.14294	20.6
399.14023	3.7
401.16068	1.1
413.15747	1.4
417.15375	41.0
549.19824	1.7
579.20654	4.9
711.24628	4.4
741.25836	3.2
956.35815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.6
69.03433	3.0
70.06570	2.8
75.04453	1.3
77.03905	1.2
78.04696	1.9
79.05481	4.6
79.83519	0.5
81.03418	3.8
81.03815	0.6
82.04172	0.8
85.02470	0.7
85.02900	7.7
89.03938	1.0
91.05470	8.9
93.03375	4.9
93.07034	2.8
94.04180	1.0
95.04947	6.7
97.02865	2.3
97.06502	1.5
99.04405	1.0
103.05451	16.4
105.03391	1.8
105.04489	1.2
105.07015	5.4
106.03501	0.9
106.04167	9.4
107.04942	7.5
108.02075	1.4
109.02858	1.5
109.06483	2.1
110.03627	1.5
111.04428	1.8
112.07565	2.3
112.08277	0.8
115.05444	3.7
116.06256	0.6
117.03340	0.7
117.06998	4.0
118.04156	5.1
119.04919	4.2
121.06486	11.5
122.03629	2.5
123.04398	2.8
124.05164	2.3
125.05972	5.4
127.03905	2.6
128.06213	0.9
129.06979	2.1
130.04138	1.3
131.04909	24.5
131.08551	1.0
132.05695	1.8
133.02829	3.1
133.06479	6.4
134.03624	2.5
135.04366	1.4
135.08023	2.3
137.05959	35.4
138.03116	0.8
139.07516	0.9
140.07030	1.2
140.60155	0.7
141.05431	1.0
143.04858	1.8
144.05695	1.9
145.02821	1.6
145.06464	7.0
146.03598	0.9
147.04414	4.1
147.08046	1.7
148.05173	11.8
149.05959	17.7
151.03893	35.2
151.04990	2.2
151.07533	3.1
152.04616	0.7
153.05463	7.1
153.09085	4.5
155.06030	1.8
156.05641	1.1
157.06427	1.8
159.04416	1.3
159.08011	2.2
160.05167	2.4
161.05971	7.7
163.03848	1.2
163.06169	1.4
163.07520	25.0
165.05447	2.5
165.09155	1.1
167.07016	43.1
168.07201	0.8
171.04379	1.0
171.06488	2.3
172.05156	1.0
173.05952	10.0
174.06738	1.0
175.07541	7.7
176.04651	2.2
177.05450	14.8
177.09042	0.6
178.06123	0.7
179.07043	6.7
181.04932	57.6
181.08510	11.6
187.07506	5.0
189.05363	0.8
189.09081	1.0
190.06230	2.1
191.07004	100.0
192.07446	1.4
193.04938	1.4
193.08554	3.9
195.06534	4.7
198.06676	0.8
199.07539	0.8
201.05461	1.6
203.06996	5.6
205.08557	10.7
207.06543	3.8
207.08215	1.0
207.10167	1.9
209.08058	68.7
215.06955	0.8
217.08536	5.5
219.08244	1.1
219.09985	3.2
221.08052	2.4
223.07669	0.8
223.09691	1.1
225.07411	0.8
229.08585	1.1
233.07985	6.6
234.06705	1.3
235.07538	1.1
235.09584	8.1
236.08386	0.8
237.09125	1.6
245.08182	1.6
247.07437	1.6
249.09149	1.5
251.06836	1.0
251.10808	1.0
252.07808	0.9
253.08571	0.7
261.09006	0.8
262.05994	0.8
263.09103	26.5
264.07712	1.4
265.08426	2.0
265.10815	2.9
267.10141	2.8
277.08484	1.5
279.10193	1.5
281.08224	0.7
290.09668	0.8
293.07825	0.9
295.09579	1.8
297.11273	1.2
299.12726	1.0
304.07199	0.8
305.08298	0.7
307.09592	3.5
311.12692	1.4
325.10526	2.9
327.12186	1.7
329.13684	1.7
334.24710	0.7
335.09091	0.9
336.09674	0.7
337.10797	1.6
339.12271	6.7
341.13086	2.0
344.12335	0.7
351.12204	1.7
355.11633	2.8
357.13330	6.7
365.13266	0.8
367.11600	0.9
369.13275	5.8
371.14938	1.8
383.14679	1.1
385.12720	10.3
387.14307	27.9
399.14514	4.5
401.15762	0.7
417.15399	34.9
418.15317	1.4
547.19788	1.0
549.19739	2.2
567.21936	1.2
579.21448	3.9
711.25018	5.8
741.25415	2.1
879.14978	0.8
881.70618	0.7
956.35754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.5
69.03432	2.0
69.07078	0.9
69.61870	0.6
69.62249	0.8
71.01340	0.4
71.04987	0.7
73.02907	2.2
79.05473	1.8
81.03404	2.7
81.07039	2.2
81.56281	0.4
83.04987	0.7
83.08611	0.7
85.02885	4.9
87.04480	0.4
91.03935	2.0
91.05466	1.9
93.07045	1.6
95.04983	1.1
95.08607	0.5
97.02875	4.8
97.10163	0.7
99.04468	0.6
101.02384	1.2
105.07017	1.0
107.04932	0.4
107.08577	0.6
109.02889	0.5
111.08092	0.4
115.03938	0.4
117.07055	0.6
119.08604	1.1
121.10178	0.6
123.08057	0.7
125.09645	0.5
127.03935	1.5
131.08646	0.5
133.10083	0.7
135.11723	0.4
145.04948	0.4
147.11745	0.5
157.10043	0.4
174.39067	0.3
175.11241	0.6
185.04292	0.7
193.12317	1.0
194.22430	0.4
201.03806	0.4
203.05263	0.4
243.08377	2.0
251.12634	0.5
280.78467	0.4
347.09436	2.1
349.19849	1.1
363.09106	0.9
405.13693	4.0
405.22089	0.5
469.20343	5.1
497.20416	0.5
545.22241	0.6
567.27844	2.3
578.20087	0.4
613.24896	0.8
631.25665	5.8
679.33655	0.4
703.27863	0.5
729.32495	2.0
795.41357	1.1
957.46423	100.0
958.46259	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	964.6186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	12.5
69.03424	2.0
69.07059	7.5
69.18311	2.6
69.18707	5.0
71.08618	8.8
76.95481	1.1
79.05461	8.5
81.03416	1.6
81.07040	15.9
81.62251	1.1
83.04953	4.7
83.08601	14.3
85.02878	4.3
85.06532	1.8
85.10149	6.0
91.03927	2.1
91.05459	9.0
93.07020	9.7
95.04951	27.8
95.08593	15.4
97.06483	2.3
97.10146	8.2
98.22717	2.8
99.04436	3.0
105.06991	9.2
107.04944	2.4
107.08578	9.7
109.10129	8.8
111.04421	2.9
111.08096	2.7
111.11651	1.4
117.06987	2.1
119.08581	10.1
121.06516	2.0
121.10117	7.9
123.08058	3.4
123.11682	2.2
125.09605	4.8
129.84003	1.2
131.08539	4.6
133.10136	7.3
135.11652	3.2
137.09557	1.6
145.10106	9.6
147.07961	1.4
147.11682	6.0
149.09583	12.8
159.11674	3.6
161.13249	1.7
163.11137	10.6
165.12637	1.6
167.59024	1.3
173.13190	1.6
177.12640	1.5
189.11151	6.4
205.12178	2.5
223.11230	2.4
223.13263	24.2
227.12732	2.0
229.19510	2.4
239.17918	2.7
239.23697	1.9
250.77823	1.4
257.19037	4.6
257.24741	1.6
269.17526	2.1
275.20001	40.3
293.21021	27.3
313.27289	90.0
314.27557	2.4
331.23267	1.6
349.23654	19.1
350.49112	1.3
367.24716	52.2
368.24850	1.2
507.40161	1.7
587.46515	26.0
605.47632	100.0
606.47681	3.4
623.49054	2.4
820.24939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	46.6
69.03417	6.8
69.06702	1.8
69.07055	21.7
71.01334	3.5
71.04974	6.2
73.02905	4.6
77.03908	2.1
79.05476	51.8
80.06235	0.9
80.77356	0.9
81.03400	24.4
81.07040	56.7
82.04160	1.6
83.01331	8.7
83.04967	21.9
83.08605	20.8
85.02896	15.0
85.06516	2.3
91.03928	4.1
91.05461	41.3
93.07026	48.5
95.04949	27.6
95.08585	19.9
96.05730	2.3
97.02871	24.3
97.06519	12.8
97.10152	14.4
99.04449	4.8
99.08041	1.9
103.05445	1.5
105.04496	2.4
105.07008	24.0
107.04932	20.5
107.08572	29.9
109.02870	3.6
109.06496	23.7
109.10137	28.4
111.04433	7.4
111.08060	6.0
113.05995	1.6
115.05458	1.7
116.04704	4.1
117.06989	17.5
119.04967	1.4
119.07724	2.1
119.08549	26.7
121.06488	11.5
121.10124	13.7
122.07211	1.2
123.04382	5.0
123.08046	15.1
123.11687	2.4
125.05987	3.5
125.09610	15.2
127.03901	1.8
127.11170	1.9
128.06224	1.6
129.05444	12.3
129.06937	7.1
130.07767	1.9
131.04863	1.2
131.08549	12.5
133.06448	4.0
133.10088	10.5
134.10915	1.1
135.04387	1.2
135.08043	12.4
135.11665	18.1
136.08826	1.1
137.06003	2.0
137.09596	18.4
138.10405	1.8
139.07550	2.2
139.11290	1.2
141.09064	1.1
143.06990	2.8
143.08539	4.4
145.04953	1.8
145.06453	3.2
145.10107	22.2
147.08017	9.8
147.11668	6.3
149.09612	5.0
149.13202	1.4
151.07545	2.2
151.11157	3.3
153.09061	10.3
153.12672	6.1
155.08527	3.3
155.10593	2.4
157.06296	1.1
157.08578	7.4
157.10077	5.4
158.05688	1.7
159.07997	2.9
159.11629	4.3
161.09584	7.4
163.05992	2.0
163.07509	3.3
163.11159	33.1
165.09097	4.7
171.06531	1.7
171.07983	1.1
171.10141	3.0
171.11589	1.8
173.09604	7.3
173.11752	6.7
173.13153	1.7
175.11133	5.4
177.12721	2.9
181.12149	5.5
185.09544	1.2
185.13190	1.3
187.11098	1.9
189.11217	5.8
191.10593	5.7
193.12207	8.2
199.13260	2.0
207.10149	1.4
209.11639	8.3
211.13062	1.1
215.14473	1.1
221.11678	3.8
227.12706	16.0
227.17842	2.6
229.14265	9.0
233.15285	1.0
239.12650	3.7
245.18973	2.8
249.14769	1.6
255.15572	1.2
261.18390	1.7
263.19836	1.1
265.14294	1.1
267.15881	5.0
271.16965	1.8
273.18433	22.4
283.15344	88.0
289.17902	8.2
291.19531	15.6
295.15308	2.3
299.14783	2.4
301.16452	1.6
307.18954	3.2
313.16367	1.2
317.15768	1.7
329.20972	1.4
337.16446	3.9
347.22116	9.5
363.21396	2.8
365.19318	2.3
365.23221	16.0
379.21075	2.1
381.22684	7.0
399.23697	28.1
425.25003	2.8
437.25256	40.6
463.27551	1.7
475.26254	1.4
477.28500	6.5
491.26718	1.3
503.26260	1.1
517.31287	1.7
521.27258	4.2
537.32397	1.4
539.33362	2.1
554.32520	1.2
555.32983	10.8
557.34412	10.2
571.32477	3.5
572.32947	4.0
573.34088	42.5
589.33521	12.4
590.34174	2.2
607.34656	100.0
608.35040	2.4
966.49164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	29.9
67.54411	0.8
69.03416	4.5
69.07050	11.5
70.02277	1.0
70.02609	2.0
71.01331	1.1
71.04977	3.5
73.02896	2.3
79.05031	2.1
79.05475	34.3
81.03400	12.1
81.07038	59.1
83.04959	10.2
83.08599	20.5
85.02887	9.3
85.06538	2.5
86.93105	0.9
91.03942	3.2
91.05458	33.4
93.07024	33.1
95.04947	20.4
95.08005	1.8
95.08582	15.7
97.02882	5.6
97.06519	9.4
97.10151	22.1
99.00797	13.4
99.04440	2.2
99.08078	2.0
101.02338	1.0
103.05456	2.8
105.04502	2.3
105.07003	27.1
107.04938	14.2
107.08572	22.9
109.02855	11.3
109.06481	10.4
109.10133	12.5
111.04402	13.6
111.08051	8.3
115.03941	2.9
117.07001	11.2
119.04972	1.0
119.08558	25.3
121.06484	14.6
121.10114	9.4
123.04420	2.4
123.08036	17.4
123.11701	3.1
125.05996	1.0
125.09599	18.9
127.03899	2.6
128.06216	3.4
129.06944	6.4
131.08527	10.7
132.18040	1.2
133.06461	4.6
133.10097	41.1
135.08046	8.6
135.11690	8.2
137.05997	1.1
137.09593	6.0
139.07527	3.6
139.11174	2.0
143.08549	9.4
145.06451	2.8
145.10089	14.2
147.08006	11.8
147.11678	5.9
149.09549	6.0
151.11168	9.0
153.07063	1.6
153.09085	3.0
153.12674	4.9
155.08563	1.9
157.10081	4.1
159.07941	2.0
159.11674	3.6
161.09583	25.2
161.13239	1.1
161.65303	0.9
163.11148	17.9
165.09055	5.5
165.12778	1.4
171.08029	4.0
171.10239	1.1
171.11693	2.8
173.09598	4.3
175.11143	4.2
177.09145	1.2
177.12675	2.1
179.10634	9.6
181.10681	0.9
181.12154	6.2
185.13228	2.2
187.11209	1.1
189.09106	8.3
189.11189	11.2
189.12703	1.6
191.10637	5.2
193.12259	3.1
195.11786	0.9
197.11728	2.4
205.12241	1.4
207.10139	3.2
223.13158	5.9
225.11200	8.0
227.12718	17.8
227.17882	1.3
243.12196	2.8
245.18977	3.5
255.17410	4.2
263.20093	1.4
273.18430	34.0
281.13638	4.6
283.15359	3.4
291.19473	73.5
299.14816	100.0
309.20529	12.3
347.22073	8.2
365.23148	43.8
367.27878	1.2
383.24161	20.8
453.88184	1.1
469.24152	4.3
525.26678	3.1
553.31061	2.8
561.33820	3.5
571.32495	14.5
589.33582	88.5
590.33838	2.6
607.34625	63.5
608.34741	1.6
721.53394	1.2
775.35559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	5.5
68.05030	0.8
68.86485	0.5
69.03422	6.7
69.05808	0.8
69.07065	1.9
70.06574	4.5
71.01364	0.6
71.04983	63.4
71.08620	3.6
73.02911	3.0
79.05480	6.0
80.05045	0.6
81.03410	3.2
81.07038	4.7
82.06557	0.6
83.04996	0.9
83.08630	2.6
84.08130	3.7
85.02879	6.0
85.10193	1.6
86.06062	5.0
88.04007	2.6
89.68652	0.5
91.03941	3.1
91.05492	2.2
93.07029	2.9
94.06560	0.9
95.04999	1.2
95.08585	3.0
96.08111	7.0
97.02876	6.3
97.03374	0.6
97.10146	3.3
98.06019	3.0
98.22704	1.8
101.02388	1.1
105.07024	1.3
106.06573	1.5
107.05009	0.7
107.08578	2.9
109.02914	1.5
109.06529	0.7
109.10181	2.0
111.08109	0.7
112.07602	3.6
117.07061	0.7
119.08602	0.9
124.07563	4.2
125.09657	2.6
127.03905	1.6
131.08656	0.6
135.08044	0.6
140.07111	0.7
141.07835	0.8
142.08614	6.7
153.09151	1.1
153.18944	0.6
158.08096	8.1
170.08098	3.0
189.11247	1.2
227.12776	3.7
239.23816	0.8
273.18497	0.6
276.22009	0.5
313.27313	6.6
313.30801	0.7
418.71289	0.6
465.35873	0.6
513.92328	0.6
566.44110	0.6
606.42834	0.6
624.44836	1.0
642.45306	3.5
804.51068	2.4
966.56171	100.0
967.56500	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	967.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.3
67.92422	0.2
68.99781	0.2
69.03420	5.4
71.01364	0.2
71.04985	3.1
71.44253	0.2
79.05503	0.2
81.03405	15.3
81.07047	0.2
83.01335	0.6
83.04965	1.9
85.02894	4.6
94.66379	0.2
97.02880	5.1
99.04443	17.0
103.03945	1.6
109.02863	24.9
111.04423	4.1
115.03956	0.3
116.15194	0.2
121.02835	0.2
125.09577	0.2
127.03896	100.0
128.04225	0.4
137.02258	0.2
137.09579	0.2
139.03899	0.6
145.04941	6.7
146.37057	0.2
147.04404	0.2
147.07991	0.1
153.01837	0.2
153.05440	2.6
169.04938	6.8
169.18213	0.2
171.06464	0.2
183.02773	0.1
187.05991	20.8
213.05551	0.2
229.07034	29.3
230.07286	0.2
247.08104	6.0
264.91745	0.2
273.09561	0.4
287.05447	13.5
288.05957	0.3
366.20474	0.2
438.81946	0.2
449.10699	3.3
458.36551	0.2
721.19727	0.3
726.54523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.3
67.92422	0.2
68.99781	0.2
69.03420	5.4
71.01364	0.2
71.04985	3.1
71.44253	0.2
79.05503	0.2
81.03405	15.3
81.07047	0.2
83.01335	0.6
83.04965	1.9
85.02894	4.6
94.66379	0.2
97.02880	5.1
99.04443	17.0
103.03945	1.6
109.02863	24.9
111.04423	4.1
115.03956	0.3
116.15194	0.2
121.02835	0.2
125.09577	0.2
127.03896	100.0
128.04225	0.4
137.02258	0.2
137.09579	0.2
139.03899	0.6
145.04941	6.7
146.37057	0.2
147.04404	0.2
147.07991	0.1
153.01837	0.2
153.05440	2.6
169.04938	6.8
169.18213	0.2
171.06464	0.2
183.02773	0.1
187.05991	20.8
213.05551	0.2
229.07034	29.3
230.07286	0.2
247.08104	6.0
264.91745	0.2
273.09561	0.4
287.05447	13.5
288.05957	0.3
366.20474	0.2
438.81946	0.2
449.10699	3.3
458.36551	0.2
721.19727	0.3
726.54523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.1
69.03429	2.0
71.36185	0.5
79.05499	0.9
79.43485	0.6
85.02900	2.2
89.03909	0.6
91.05490	1.6
93.05758	0.7
93.07040	1.2
94.06548	4.4
95.07355	1.6
96.08124	3.7
97.02895	2.4
99.04485	0.8
103.05439	0.6
103.79433	0.6
106.06572	1.4
107.07282	0.6
108.04481	2.4
108.08109	7.4
109.02844	0.9
110.06051	0.9
110.09674	5.7
116.04967	1.5
118.06552	0.6
119.04861	0.6
120.04437	3.1
120.08102	6.2
121.02880	0.7
121.06408	0.7
122.06003	4.8
122.09645	0.9
124.07582	6.0
127.03890	1.4
132.04459	0.8
134.06047	2.3
136.07553	9.2
138.09120	8.4
138.64191	0.6
144.04448	2.8
146.06001	5.4
147.04417	0.9
148.07581	3.3
150.09151	1.0
152.07111	1.2
160.03926	2.9
162.05515	3.1
164.07089	1.6
166.08624	15.3
172.03920	18.4
174.05545	1.8
176.07033	3.0
177.05475	0.8
184.09888	0.7
185.10881	0.7
187.08565	0.7
190.04962	16.4
196.09918	0.9
197.10797	1.3
199.08618	0.9
199.12346	1.5
204.06531	33.5
207.09070	0.7
209.10843	0.9
210.09209	1.4
211.08694	2.7
212.09444	1.6
213.10327	1.0
223.08589	1.3
224.09503	1.1
225.10204	8.0
226.10878	1.3
227.11748	13.6
229.13370	0.7
236.09488	1.7
237.10272	3.1
238.11040	1.7
239.11720	3.5
241.09831	1.5
241.13316	1.1
249.10220	1.6
250.10985	1.4
251.11783	2.3
252.08841	0.7
253.09668	4.5
253.13445	1.0
255.11353	2.1
257.12817	0.7
259.04556	0.7
263.08246	1.2
264.08963	3.8
265.09689	1.9
266.10587	1.3
267.11322	3.7
269.12793	14.0
271.10724	9.3
273.12323	3.8
277.09756	2.4
278.10474	1.2
279.11194	4.8
281.12869	1.2
283.10822	5.1
284.11429	5.1
285.12326	4.7
286.13217	1.2
287.05527	1.7
287.13882	14.6
293.09113	1.1
295.10672	0.8
297.12250	9.5
299.13992	3.8
300.14645	0.8
302.13086	0.9
307.10730	1.8
309.12274	1.1
311.10626	0.9
312.15042	1.5
313.12708	0.9
314.13019	1.5
315.13547	1.1
316.10941	1.4
316.14539	1.9
323.10205	6.1
325.11752	16.7
326.12750	0.7
326.16574	1.5
327.13495	3.0
327.17081	1.0
328.10889	1.9
328.14215	1.5
329.15134	1.7
330.12537	1.1
330.16141	2.2
331.16818	2.5
334.09314	0.8
339.13828	1.4
340.14493	0.8
341.11642	1.5
341.15610	1.3
342.12320	5.7
342.16064	1.0
343.12836	6.4
343.16467	0.8
344.13727	1.4
353.12759	1.1
354.12344	0.9
354.16211	1.3
355.13306	1.8
355.17212	1.1
356.13925	7.2
357.14459	23.1
357.18961	1.1
358.15515	5.8
365.11362	1.0
366.16052	0.8
368.13892	0.8
369.15289	0.7
370.11664	1.1
370.15579	4.7
371.16309	1.2
372.17163	1.2
374.18686	0.8
378.17966	1.3
380.14111	0.9
382.11588	3.4
383.12585	2.1
384.13089	4.5
384.16074	0.8
384.17636	1.0
385.14331	2.2
386.14178	3.1
386.18759	2.7
387.15652	1.0
388.16742	1.3
390.18060	3.1
391.18661	0.7
394.15417	1.2
397.14734	0.9
398.14920	19.6
399.15756	30.3
400.16312	2.7
402.17944	1.2
404.15845	5.8
412.16650	2.2
414.18164	4.3
415.16312	0.7
416.15958	17.6
417.16422	1.1
422.16699	2.2
428.15985	4.9
430.17285	3.1
440.16000	7.4
446.17010	8.7
458.10559	1.3
458.17050	26.4
469.16373	0.8
478.19406	3.5
487.17004	8.7
490.19717	10.2
519.19733	1.9
541.24530	0.9
551.22986	0.8
565.24786	0.8
567.25739	1.2
569.23987	4.5
575.23145	0.9
593.23737	4.6
611.24915	100.0
612.25092	3.3
620.22479	3.0
643.27515	41.1
644.27972	1.7
731.28638	0.8
737.27637	1.3
745.31067	1.0
755.29260	2.6
773.30096	51.2
774.30267	3.5
805.32794	11.9
935.35565	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	21.2
69.03406	2.5
69.07072	8.4
71.04967	3.0
73.02901	1.6
77.03938	1.0
79.05035	1.6
79.05486	30.4
81.03402	10.2
81.07046	32.1
83.01332	4.3
83.04976	9.7
83.08605	10.6
85.02890	11.0
85.06542	1.0
91.03951	4.4
91.04933	1.5
91.05467	23.4
93.07035	29.9
95.04952	13.2
95.08595	11.9
97.02875	4.6
97.06530	4.7
97.10154	4.9
99.04449	2.2
103.05457	1.1
105.04465	1.4
105.07018	15.4
107.04930	12.7
107.08582	13.2
109.06503	10.0
109.10139	6.3
111.04430	2.8
111.08074	2.9
111.31552	0.8
115.00007	0.7
115.05466	1.4
117.01029	1.3
117.06999	11.9
119.08572	19.7
120.57843	0.9
121.06493	8.4
121.10126	9.6
123.04462	0.8
123.08051	14.1
125.09586	2.8
127.03914	1.7
128.06189	2.1
129.06981	5.2
130.07732	1.1
131.02560	0.9
131.08543	11.3
133.00548	0.9
133.06458	2.0
133.10085	6.3
135.08018	4.7
135.11685	9.0
137.09595	2.7
142.07733	0.9
143.08539	4.6
145.00502	1.0
145.04929	1.1
145.06441	1.7
145.10109	17.5
147.08034	7.2
147.11665	2.4
149.09575	6.8
151.11191	1.6
153.09119	1.9
153.12735	2.1
155.08556	0.8
157.10146	3.9
159.08054	1.2
159.11655	3.2
161.09575	6.1
163.06004	2.2
163.11162	22.4
165.09116	1.3
169.10120	1.1
171.11626	2.9
173.09572	3.8
175.11162	2.8
177.12645	1.2
181.12148	1.8
185.13258	1.4
187.11156	1.9
189.11201	2.1
189.12735	1.4
191.10620	2.2
195.11810	1.0
197.07210	2.1
199.11215	0.9
205.12286	1.0
209.11682	4.8
213.16571	0.9
219.13629	1.1
223.13170	1.1
227.12720	4.3
245.18980	1.0
249.14815	1.1
255.17436	2.2
265.14627	0.9
267.15851	0.9
273.18448	14.4
283.15363	100.0
284.15631	1.3
291.19513	26.5
309.16190	3.9
314.20349	1.0
327.17322	1.3
329.21164	1.0
347.22214	5.6
383.19818	16.9
401.20837	45.0
537.31909	1.4
545.49536	0.8
555.33130	12.8
573.34302	14.5
591.30725	39.8
609.31805	66.6
610.31506	1.4
968.47168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	85.5
69.03426	15.2
69.07054	26.4
69.13663	4.7
69.14063	14.8
71.01346	4.2
71.04967	9.9
73.02901	8.2
73.06509	3.0
77.03906	4.2
79.05036	4.6
79.05482	74.2
81.03405	71.3
81.07047	100.0
82.03709	2.9
82.04193	3.9
83.04975	32.7
83.08603	36.8
85.02894	40.0
85.06538	6.0
91.03951	4.9
91.05466	67.3
93.07031	53.9
95.04951	49.0
95.08596	35.2
97.02888	29.7
97.06512	18.7
97.10155	38.1
98.03227	2.4
98.23402	6.3
99.03596	2.4
99.04438	11.5
99.08056	4.8
103.03910	9.4
105.04515	3.5
105.07011	43.6
107.04948	18.1
107.05553	2.3
107.08584	36.6
109.02863	23.0
109.06495	19.1
109.10136	36.3
111.04414	16.1
111.08073	18.6
112.01550	2.5
113.05968	3.6
115.05452	4.5
116.04698	5.1
117.07003	21.9
119.08561	41.6
121.06480	16.2
121.10116	23.6
123.04396	5.0
123.08035	22.4
125.05964	3.1
125.09607	29.7
127.03899	51.0
128.04240	8.0
129.05487	21.0
129.06969	18.8
131.08534	28.2
133.06438	9.0
133.10110	20.0
135.08037	17.2
135.11656	15.1
137.09573	18.4
141.06943	3.1
142.07790	4.0
143.07011	7.8
143.08521	5.4
143.10626	3.1
145.04921	5.6
145.06497	4.5
145.10097	21.0
147.07971	13.2
147.11668	21.7
149.09560	16.8
149.13263	4.3
153.09070	10.9
153.12694	7.3
153.60161	2.4
155.08548	4.1
157.08583	12.3
157.10107	21.1
159.08052	5.2
159.11650	8.1
161.09590	11.2
163.11166	26.4
165.09087	5.6
165.12749	5.5
169.04941	8.3
171.06502	2.5
171.10152	5.0
171.11597	5.3
173.09549	4.2
173.11748	8.3
173.13150	3.6
173.44232	2.5
175.11140	25.1
177.12749	3.9
181.12245	8.5
185.09599	3.8
187.05984	5.9
187.11176	3.4
189.11205	22.7
191.10710	7.9
193.12190	56.9
199.13264	7.6
209.11668	8.2
211.11189	2.9
211.13245	60.0
221.11522	3.7
223.13147	4.7
227.12718	33.6
229.07091	7.7
229.14281	19.8
245.18915	3.7
247.08130	8.8
248.08504	3.1
249.14948	3.3
255.17567	3.8
260.34708	2.8
263.19901	3.8
267.15839	28.4
269.17419	3.6
271.17007	3.3
273.18445	37.9
275.19876	3.9
283.15234	16.1
285.16922	45.1
287.05420	8.0
288.05978	4.9
289.17938	7.3
291.19489	64.1
301.16385	46.4
309.20468	7.9
347.22232	14.5
356.35291	2.6
365.23190	38.9
381.22778	3.2
383.24203	9.9
399.23682	7.4
421.26187	3.3
431.27789	4.7
437.25180	3.6
439.26822	41.6
461.29025	6.1
471.25616	3.1
479.29733	9.4
519.32874	9.2
523.28839	6.6
539.33582	5.7
556.32825	3.7
557.34784	21.2
573.33856	14.2
574.34711	6.6
575.35687	21.8
591.35150	55.6
592.35303	2.8
609.36237	60.5
623.34052	3.3
630.42944	2.9
936.98627	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	968.542
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	20.7
68.15452	0.8
69.03418	3.2
69.07061	7.7
69.57934	1.8
69.58340	2.7
71.04983	2.5
77.03911	1.1
79.05480	19.3
81.03406	47.9
81.07041	21.5
81.07495	1.6
83.04972	8.1
83.08606	20.8
85.02905	5.1
85.06519	1.2
87.14964	0.8
88.37766	0.8
91.05469	21.2
93.07030	20.3
95.04955	48.1
95.08592	15.3
97.02879	4.3
97.06535	3.9
97.10156	9.0
98.84750	0.8
99.04456	1.9
99.08096	1.2
105.04501	0.9
105.07014	19.7
107.04948	8.8
107.08560	14.7
108.76092	0.7
109.06509	7.7
109.10123	8.3
111.04423	4.9
111.08051	6.2
115.05453	1.3
117.06997	5.3
119.08555	17.4
121.06475	5.9
121.10130	10.3
123.04427	1.5
123.08049	4.0
123.11710	1.1
125.05990	1.2
125.09616	8.1
127.03932	1.1
129.06999	5.5
131.08545	12.7
133.06483	3.1
133.10101	10.8
135.08058	3.8
135.11684	4.4
137.09593	2.7
139.11104	1.2
141.06921	1.3
143.08530	3.4
145.06448	1.8
145.10094	11.9
147.08044	3.2
147.11633	7.3
149.09587	15.9
149.13264	1.6
151.11211	2.3
153.09106	1.2
155.08568	1.7
157.10118	5.4
159.08197	1.0
159.11697	6.2
161.09573	2.1
161.13304	2.3
163.11160	15.5
165.12756	2.5
169.10086	2.3
171.11655	1.9
173.09616	1.7
173.13298	1.7
175.11140	5.9
177.12691	2.5
180.24290	1.1
181.12262	1.3
183.11674	1.9
185.13260	1.9
187.11162	3.1
189.11217	3.9
191.10738	1.3
193.12206	13.0
205.12242	3.1
211.13301	3.2
223.13234	15.4
227.12682	1.9
229.14369	1.9
239.17972	2.3
251.64940	0.9
257.19000	2.4
267.15872	69.7
268.16156	1.3
275.17075	1.1
275.20047	21.9
283.15381	1.4
290.98587	1.0
293.21069	15.5
309.16766	1.5
341.21085	1.2
349.23663	17.2
349.27734	1.3
367.24725	30.3
368.24823	1.1
431.27731	1.2
433.25720	8.8
449.30069	1.4
461.28876	1.4
467.31622	0.9
471.55273	1.0
501.32620	1.0
541.35168	26.2
542.34973	1.0
549.54321	0.9
559.36200	100.0
560.36407	2.9
573.34247	1.7
577.37012	2.0
583.36041	1.9
591.36505	1.1
601.37140	1.8
609.36066	2.3
663.36810	1.0
667.38141	1.8
682.92889	0.9
780.22723	0.9
968.44403	1.3
969.40601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	11.7
69.07065	19.8
69.79651	2.0
71.04990	9.1
73.02917	2.9
79.05479	62.2
81.03404	84.7
81.07045	77.6
83.04965	21.3
83.08612	35.9
85.02886	44.1
85.06540	4.5
91.03955	6.8
91.05464	65.4
93.07029	50.9
93.07596	3.4
94.39967	2.0
95.04955	48.8
95.05522	4.6
95.08588	24.1
97.02856	10.5
97.06531	7.8
97.10163	9.7
99.04440	4.8
99.08099	2.6
104.81340	2.2
105.07016	52.2
107.04942	24.9
107.08573	24.3
109.06513	13.6
109.10116	15.9
111.04427	6.1
111.08056	16.7
113.06025	4.4
115.05386	2.6
117.07010	16.4
119.08562	49.8
121.06493	9.0
121.10128	26.5
123.08044	19.5
123.11723	2.5
125.05965	2.6
125.09641	5.1
128.06197	4.6
129.06963	18.9
131.08554	29.6
133.06497	9.5
133.10117	20.3
135.08073	4.7
135.11685	5.0
137.09621	9.0
142.07735	6.7
143.08566	11.0
145.04959	3.0
145.10063	16.2
147.08020	13.5
147.11682	24.4
149.09602	26.0
155.08524	3.6
157.10094	28.6
159.08069	5.0
159.11713	7.2
161.09601	12.9
163.11145	12.8
165.12766	4.8
169.10147	4.6
171.11668	4.8
173.09630	3.2
175.11148	26.8
177.12735	3.1
185.13219	3.2
187.11227	4.2
189.11197	4.8
193.07629	2.3
193.12207	53.1
197.07327	5.1
199.11188	3.3
205.12125	2.1
209.52528	2.5
211.13258	85.6
227.17929	4.4
245.18987	2.4
249.14922	6.2
255.17555	5.3
267.15866	58.0
273.18509	32.1
283.15170	2.4
285.16925	97.8
291.19528	45.2
309.16122	6.7
327.17062	3.0
338.36157	2.5
347.22159	10.3
365.23117	2.9
383.19742	39.6
401.20828	58.9
433.25839	3.4
539.33575	10.1
542.11804	2.1
543.36456	4.5
557.34692	26.1
561.37238	5.9
575.30353	35.2
593.32355	90.1
594.32666	2.8
611.33356	100.0
612.33179	6.5
694.94470	2.3
970.46484	15.4
971.45746	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	970.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07053	19.2
69.77220	20.9
69.77599	23.3
79.05495	75.4
79.55047	11.5
81.07043	95.3
81.69183	10.5
85.02890	17.8
90.81750	11.1
91.05473	61.0
93.07020	100.0
95.08601	84.7
98.23361	15.0
105.07012	89.8
105.31612	11.0
106.58991	10.7
107.08601	51.3
109.10121	24.9
117.06973	18.9
119.08591	42.2
121.10149	42.4
129.06966	18.9
131.08565	25.5
133.10123	49.1
135.11668	40.1
139.66452	11.0
143.08601	12.2
145.10115	29.5
147.11688	50.8
149.13231	21.5
155.35460	11.2
159.11678	31.5
161.13243	25.5
163.06071	17.4
171.11711	18.9
173.13242	24.3
179.63731	11.7
185.13306	22.4
217.45238	11.8
252.66750	11.0
259.20441	62.1
261.22177	15.8
285.22311	10.4
333.24225	49.4
335.25742	87.7
472.03595	13.7
593.45111	26.4
611.46570	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	973.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	4.2
69.07056	0.8
69.68830	2.2
70.06583	1.2
71.04988	1.0
73.02921	3.3
79.05493	4.3
81.03397	2.1
81.07061	3.7
83.01343	0.7
83.04967	1.4
85.02890	5.7
91.03947	3.1
91.05487	2.5
93.07050	3.2
95.04995	1.5
95.08582	1.2
96.08120	21.5
97.02873	5.1
97.08436	1.6
99.04459	0.9
101.02361	2.6
105.07030	2.6
107.04984	1.0
107.08599	1.5
109.06532	1.0
109.10170	0.9
111.04366	0.7
117.07003	0.8
119.08566	0.9
121.06508	0.9
121.10105	1.2
123.08022	1.0
127.03940	1.6
131.08641	0.9
135.11682	1.0
145.04944	0.7
145.10149	1.2
161.09644	0.7
163.11189	1.8
164.50101	0.6
182.79799	0.7
185.04160	0.9
186.44200	0.6
203.05319	0.8
213.13875	0.7
227.12776	0.8
228.12093	0.8
243.08389	1.7
331.18756	1.7
347.09567	2.2
365.10629	1.1
387.21448	0.9
405.13617	5.8
467.18857	6.9
549.26508	4.5
564.04492	0.7
585.24335	1.5
629.24036	5.2
711.30859	1.5
747.29504	3.0
869.43195	1.3
937.43164	1.6
955.53522	1.5
971.23749	0.7
972.54572	1.9
973.41144	100.0
974.41736	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	973.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.1
69.07092	0.8
70.06573	0.6
73.02917	2.3
79.05494	1.5
81.03420	2.0
81.07075	1.7
83.08616	0.7
85.02892	4.2
87.04494	0.5
91.03971	2.1
91.05483	1.4
93.07063	1.5
95.04956	0.6
97.02900	4.2
97.10186	0.6
99.04448	0.5
101.02382	1.1
105.07021	0.9
107.08619	0.7
109.02887	1.0
109.10149	0.5
121.10149	0.5
127.03951	1.1
129.05498	1.0
131.08565	0.6
133.63298	0.5
147.11746	0.6
149.09702	0.6
185.04277	2.3
201.03773	0.7
202.97923	0.5
203.05237	1.3
243.08530	1.5
251.12598	0.6
257.06631	0.8
274.24915	0.5
301.08920	4.0
315.10617	0.7
319.10083	1.6
327.10370	0.9
329.08521	1.0
347.09396	10.2
347.13330	0.8
349.19983	1.3
355.13251	0.6
363.09021	5.8
365.10669	1.1
367.17352	0.7
383.16910	1.1
385.18503	1.6
405.13568	6.1
443.19131	0.8
451.19608	0.6
463.14221	9.5
469.20502	3.3
477.15482	2.4
489.16425	0.7
497.19916	0.9
503.17377	1.2
527.20813	1.2
529.22455	0.9
531.32837	1.1
535.15881	2.5
545.22345	2.3
547.23621	5.6
549.17859	0.8
557.21893	1.4
563.19745	0.7
567.27832	1.9
587.24017	0.7
591.22644	0.8
601.23981	0.6
605.24377	3.3
613.25061	0.7
619.25873	0.9
625.28217	0.8
631.25647	6.6
641.31702	0.9
647.25317	3.6
655.29260	0.6
659.25250	0.8
661.27484	2.0
673.27039	1.1
689.33923	1.1
690.27460	2.1
703.27997	2.3
709.37457	0.7
719.27185	1.2
729.32477	3.4
731.32764	1.6
745.34973	1.5
759.99146	0.8
770.32416	0.6
773.35968	1.0
774.36340	1.8
801.35181	2.1
803.36859	1.9
815.36511	2.2
829.38422	1.1
857.38928	0.9
871.42633	2.6
955.43622	2.4
956.44952	0.7
973.46033	100.0
974.46161	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	978.5982
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	10.1
69.07058	39.5
69.48208	13.0
69.48603	8.9
71.05015	4.8
71.08620	40.6
73.02895	6.0
79.05491	39.2
81.03425	9.4
81.07049	70.5
83.04978	6.2
83.08602	24.5
85.02903	15.2
85.10181	18.2
91.03959	8.3
91.05472	29.3
93.07030	32.5
95.04975	17.8
95.08582	40.2
97.02896	11.7
97.06548	8.3
97.10172	20.3
105.07047	14.1
107.04974	10.2
107.08607	22.9
109.02889	15.8
109.06532	7.4
109.10144	15.8
117.07020	11.4
119.08563	16.9
121.06489	13.6
121.10091	8.2
123.11693	9.0
125.09691	10.2
131.08557	9.6
133.06488	5.4
133.10158	13.8
135.08032	19.0
145.06560	5.9
153.12714	6.1
159.08037	8.0
161.09627	9.1
163.07547	13.7
163.11198	7.3
189.11230	6.0
193.12250	16.3
224.06093	4.8
261.18375	5.6
289.17957	19.4
313.27353	87.7
363.21310	4.9
381.22681	100.0
601.44214	12.3
619.45673	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07066	12.0
71.08621	9.5
73.02909	2.0
79.05490	8.8
81.03410	2.7
81.07040	14.9
83.04978	3.4
83.08630	6.7
85.02889	3.5
85.10183	5.1
91.05470	7.7
92.95291	1.8
93.07056	5.5
95.04961	3.4
95.08604	10.3
97.02901	2.8
97.06525	3.0
97.10179	5.6
105.07033	3.3
107.04951	2.6
107.08585	4.7
109.06493	2.5
109.10175	4.7
111.04452	2.2
112.92950	1.6
116.03527	1.6
117.07018	3.5
119.08578	3.3
121.06487	2.2
125.09628	2.4
125.47344	1.9
131.08575	3.3
135.08025	2.7
145.04982	2.2
159.08017	2.4
163.07491	2.1
189.11208	2.7
193.12248	7.0
209.77364	2.1
227.12711	1.9
271.17020	2.3
289.17978	15.9
307.19086	3.9
313.27332	81.4
363.21454	9.0
380.06537	2.0
381.22668	51.6
601.44824	11.8
619.45630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	14.2
69.60672	0.2
79.05487	0.1
81.07048	0.2
83.04508	0.2
83.04971	1.6
85.02907	0.2
91.05453	0.2
97.02876	100.0
98.03212	0.4
98.22736	0.1
107.21150	0.1
111.04424	3.7
115.03915	0.5
121.02804	0.1
129.05431	0.1
137.24544	0.1
139.03874	26.7
153.01843	0.1
153.05435	2.0
157.04936	12.1
158.05283	0.1
171.06421	0.1
199.05983	3.5
205.04677	0.5
259.08099	0.7
287.05450	2.5
299.05435	0.1
301.09476	0.1
363.51862	0.1
365.06461	0.2
448.83636	0.1
449.10483	0.3
545.12524	0.2
553.84198	0.1
619.34137	0.1
979.32977	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63201	0.8
69.03407	2.8
69.07059	12.2
69.10239	1.0
69.15453	6.2
71.04987	2.1
71.08622	14.3
73.02890	0.8
75.82108	1.0
79.05474	19.2
81.03396	4.7
81.07045	42.6
83.04967	4.8
83.08604	12.9
84.20882	0.9
85.02885	4.4
85.06514	2.1
85.10164	8.0
85.45522	0.8
87.41753	0.9
91.03915	1.6
91.05468	11.6
93.07025	14.3
95.04951	9.9
95.08593	18.3
97.02884	2.7
97.06506	4.2
97.10159	17.4
99.04428	1.3
99.08124	1.5
103.07545	1.1
105.07010	9.4
107.04929	6.4
107.08577	12.6
109.06502	5.3
109.10151	8.9
111.04412	6.7
111.08087	4.6
117.06995	5.4
119.08551	12.9
120.40964	1.0
121.06492	4.5
121.10138	7.2
123.08041	16.8
123.11656	4.3
125.09603	16.7
127.03902	1.4
129.06993	2.8
131.08556	6.4
133.06396	2.2
133.10095	5.7
135.08052	4.5
135.11618	4.9
137.09560	3.3
137.13252	0.9
139.11128	1.5
143.08536	3.8
143.10579	1.2
145.04991	1.0
145.10107	10.1
147.08041	7.0
147.11661	3.3
149.09584	4.8
149.13181	2.2
153.09058	3.0
153.12729	6.3
157.10091	4.1
159.11671	2.8
161.09587	6.3
163.11163	12.8
165.09090	4.2
171.10229	1.3
171.11642	2.6
171.13037	0.9
173.09587	2.8
173.13292	1.2
175.11160	3.4
177.12651	1.2
181.10147	1.0
181.12195	5.2
185.13223	1.4
189.11165	13.1
189.12741	1.4
191.10629	4.2
193.12198	2.5
199.11180	1.3
205.12207	1.5
209.11725	1.1
223.13225	5.3
227.12740	16.8
227.17937	1.5
239.23589	1.7
245.18954	3.4
255.17380	1.6
257.24738	2.3
263.20062	1.7
273.18436	31.6
283.15427	4.5
291.19492	75.9
292.19806	1.6
309.20541	17.5
313.27316	100.0
314.27695	2.2
347.22079	9.3
365.23172	53.1
383.24222	35.0
483.36673	2.0
516.19904	1.0
539.39075	3.1
575.46454	1.4
585.44781	5.7
603.46069	73.1
604.46198	2.2
621.47107	77.6
622.47717	2.3
727.29834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	6.3
69.07065	13.8
69.78333	1.7
69.78725	1.6
71.04981	0.9
71.08621	5.3
73.02932	0.7
79.05471	3.7
81.03400	3.2
81.07047	10.1
83.08606	15.6
85.02895	37.7
85.10168	6.0
91.03951	1.3
91.05470	9.8
93.07035	7.2
95.04948	1.9
95.08590	13.8
97.02878	10.1
97.06536	1.2
97.10174	6.5
98.22733	1.0
99.04448	1.2
105.03365	1.9
105.07011	9.4
107.08576	6.0
109.02876	2.9
109.06484	1.0
109.10155	8.2
111.04411	0.8
111.08035	3.8
111.11684	3.1
117.06982	1.9
119.04864	0.8
119.08566	7.7
121.02868	3.0
121.06483	1.2
121.10110	4.8
123.08033	1.3
123.11668	4.0
127.03899	11.6
129.06990	0.8
131.08571	6.3
131.77527	0.7
133.06345	0.9
133.10115	18.1
135.08003	0.8
135.11671	4.7
137.13264	3.1
139.07494	0.8
139.14822	1.7
143.08577	1.7
145.04942	23.4
145.10136	7.2
147.11667	9.2
149.13269	2.1
151.11244	1.0
153.09074	0.8
157.10114	3.1
159.11682	5.9
161.09677	2.0
161.13268	4.4
163.05981	12.4
163.11182	1.1
163.14799	2.0
165.09166	0.9
169.10100	1.1
171.11714	2.1
173.09610	1.2
173.13252	4.5
175.11160	2.1
175.14844	3.1
177.05463	1.4
177.16402	1.2
179.10634	2.8
183.11736	1.4
185.13287	1.6
187.14906	1.6
189.09067	1.2
189.16318	1.4
191.10652	2.1
193.12209	10.8
197.13206	1.6
199.14818	3.1
201.12666	1.1
201.16364	1.7
204.08878	0.7
209.13235	0.9
211.14706	1.0
213.16304	1.1
215.17905	0.8
217.15952	1.2
219.13683	1.5
223.14867	0.9
225.16281	1.8
227.17889	1.1
233.15244	1.3
234.32907	0.8
235.16949	1.1
239.17961	2.2
241.19496	2.0
243.17377	1.2
245.15251	0.8
257.18515	0.8
258.50232	0.8
267.17450	1.0
267.21054	1.1
269.18979	1.8
269.22458	0.9
271.16855	1.1
271.20648	0.9
271.24313	0.9
273.25665	1.3
281.22549	1.1
285.18585	2.1
287.20096	2.8
289.09180	1.1
313.21481	2.0
325.11249	14.8
327.23111	1.9
331.26425	1.3
333.27823	14.6
341.24640	1.2
365.31961	1.4
379.33597	1.9
383.32983	1.2
397.34796	2.2
401.34073	1.4
407.33023	8.5
425.34097	25.7
443.35147	100.0
444.35333	1.5
461.36185	18.5
488.52835	0.9
668.80359	0.8
725.95026	0.8
982.32965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23514	1.6
69.03427	3.9
69.07062	12.1
70.68619	1.9
71.01339	1.7
71.05007	3.6
79.05479	38.5
81.03402	12.6
81.07040	48.0
83.04961	6.8
83.08598	20.7
85.02891	10.5
85.06512	2.6
91.03932	3.4
91.05460	43.4
93.07034	41.0
95.04956	27.1
95.08588	20.3
97.02880	7.6
97.06518	6.8
97.10149	6.2
99.00812	12.9
99.04418	3.9
103.05478	1.8
105.07011	34.3
107.04941	18.1
107.08564	16.6
109.02883	7.2
109.06526	9.0
109.10129	23.6
111.04434	5.1
111.08055	8.3
115.03932	1.9
115.05483	3.2
117.07000	15.7
119.05028	1.8
119.08562	31.8
121.06471	14.3
121.10146	11.3
123.04482	2.6
123.08057	11.2
123.11700	3.8
125.09627	6.0
127.03931	4.4
128.06216	3.8
129.07014	7.7
131.08551	17.2
133.06456	4.4
133.10110	44.3
135.08058	6.8
135.11681	7.1
137.05937	2.4
137.09644	6.2
139.07518	3.9
141.06992	1.7
143.08563	8.1
145.04939	1.9
145.06473	3.0
145.10094	15.6
147.08032	9.1
147.11694	6.1
149.01312	1.6
149.09573	14.6
151.11147	10.9
157.10129	4.2
159.11700	7.2
161.09586	21.5
161.13235	2.8
163.06017	2.4
163.11174	13.5
169.10110	2.1
171.08072	3.2
171.11707	4.3
173.09584	2.8
173.11754	5.2
173.13219	2.3
175.11116	3.7
177.12727	1.9
179.10622	10.7
185.13164	2.0
189.09084	10.1
189.11096	2.9
189.12744	2.1
193.12209	3.1
197.07213	1.8
197.11682	2.7
199.14801	2.1
205.12206	2.8
207.10164	2.7
223.13327	6.8
225.11118	9.3
227.12799	3.6
229.14290	18.8
243.12209	2.8
245.19073	2.0
249.14685	2.0
255.17395	2.9
257.18994	1.6
267.15961	8.4
273.18414	26.2
275.20023	13.9
281.13809	6.6
287.50629	1.7
291.19489	28.7
293.21005	5.9
299.14828	100.0
309.16333	3.7
315.18124	2.2
327.17123	2.1
339.68021	1.8
347.22070	6.9
349.23703	7.6
365.23053	2.5
367.24634	5.7
383.19785	17.1
401.15433	2.2
401.20813	45.6
421.25711	2.1
503.34003	8.3
521.34662	16.0
541.34924	2.4
557.34662	1.9
571.32318	10.0
589.33606	21.5
607.30176	34.4
607.38721	2.3
625.31207	66.8
984.49298	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	13.5
69.07054	31.7
70.09595	3.3
70.09933	2.3
71.01340	6.9
71.04975	7.5
73.02904	9.3
77.03928	2.0
79.05482	70.6
80.06216	1.8
81.03409	32.2
81.07046	71.7
82.04183	5.7
83.04978	29.1
83.08604	24.8
84.05750	1.6
85.02892	16.9
85.06511	4.8
87.04426	2.0
91.03934	5.7
91.05468	53.4
93.07029	49.3
95.01308	1.9
95.04951	38.9
95.08592	33.6
96.05717	3.2
97.02886	27.0
97.06518	23.7
97.10155	32.7
98.07325	9.0
99.04414	3.5
99.08077	4.0
101.06000	2.9
103.05457	1.6
105.03400	1.8
105.04487	4.6
105.07016	37.1
107.04939	23.8
107.08583	38.4
109.02882	4.8
109.06509	22.3
109.10140	56.6
109.10882	3.1
111.04395	8.0
111.08071	14.6
112.08827	1.7
113.05975	2.4
115.05415	4.9
116.04699	17.0
116.56236	1.5
117.07009	16.4
119.04928	2.2
119.08564	32.1
120.09384	2.8
121.06481	12.9
121.10127	14.0
122.07246	3.1
123.04488	7.8
123.08053	13.3
123.11655	2.8
125.06054	1.8
125.09619	35.8
126.10407	1.6
127.03899	2.9
127.11180	4.8
129.05467	42.3
129.06950	14.2
131.08551	20.6
133.06450	7.8
133.10106	21.2
135.08037	21.0
135.11674	15.0
136.08821	1.9
137.05957	2.8
137.09599	26.4
142.07867	1.8
143.07048	10.2
143.08546	5.9
143.10597	3.8
145.06494	5.8
145.10109	17.2
147.08022	13.1
147.11674	12.2
149.05957	2.2
149.09573	8.6
151.07500	3.0
151.11143	3.7
153.09071	14.2
153.12730	5.0
155.08508	3.7
155.10632	5.1
157.06532	1.7
157.08585	20.5
157.10089	10.8
158.05829	2.2
159.08029	5.4
159.11661	6.3
161.09589	9.5
162.10370	1.6
163.07523	3.2
163.11148	16.8
165.09114	6.8
165.12732	3.0
171.06577	3.4
171.07948	1.5
171.10138	13.0
171.11581	3.6
173.09581	5.7
173.11722	15.5
173.13071	2.6
175.11134	11.7
177.12752	2.9
181.12233	6.1
185.08043	2.8
185.09637	2.7
185.11658	2.3
185.13220	2.3
187.11105	2.6
189.11188	15.9
189.12654	2.6
191.10574	4.5
193.12204	20.4
199.13211	14.5
199.14497	1.3
200.14041	3.2
201.12888	2.3
201.14789	2.9
203.10594	2.0
209.11702	7.7
211.13174	7.3
212.67380	1.7
217.14101	2.1
219.13786	2.4
221.11674	5.7
223.13234	2.5
226.11697	2.2
227.12746	23.2
229.14294	33.3
239.12653	3.6
245.19142	2.1
249.14809	2.8
253.14371	2.0
255.15784	3.7
261.18521	2.5
265.14291	2.3
267.15881	11.7
271.16962	2.4
273.18448	19.3
282.14175	1.7
283.15454	12.9
283.18472	2.3
285.16943	3.5
289.18079	8.9
290.18832	1.7
291.19580	9.7
295.15393	3.6
299.14810	2.5
301.16437	67.4
307.18903	4.1
326.24576	3.9
327.19839	1.6
347.21844	7.5
349.23676	2.3
359.85632	1.5
363.21558	4.2
365.23032	12.7
381.22876	7.6
399.23654	23.0
437.25162	5.2
438.25916	3.3
443.26450	2.9
451.51935	1.5
455.26312	35.5
463.97433	1.8
535.32532	3.6
539.27594	2.5
555.32953	2.9
556.33514	2.6
557.34406	5.2
573.34351	7.3
574.34637	3.3
575.35358	3.7
591.35089	22.2
607.35107	10.1
608.35333	4.4
625.35699	100.0
626.35840	3.1
746.35492	2.2
984.46161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	4.1
69.07054	7.8
69.63552	3.0
71.04980	2.6
73.02914	1.1
74.25520	1.1
79.05483	27.0
81.03407	51.1
81.03889	2.6
81.07047	41.9
83.04977	10.3
83.08604	17.4
85.02888	3.0
85.06557	1.7
86.62304	1.1
87.00546	0.9
91.05468	26.4
93.07034	20.3
95.04960	26.9
95.08591	12.8
97.02888	3.3
97.06515	6.5
97.10159	15.2
98.23453	2.1
99.08082	1.4
103.05453	1.3
105.04474	1.5
105.07014	17.8
107.04963	8.6
107.08576	14.9
109.06513	8.3
109.10147	9.4
111.04431	9.3
111.08060	8.3
115.05431	1.3
117.07006	8.3
119.04914	1.9
119.08566	18.9
121.06512	6.2
121.10110	10.7
123.04449	1.5
123.08042	14.5
123.11699	1.7
125.09608	14.6
127.03905	1.5
128.06151	1.1
129.07002	10.3
131.08554	14.5
133.06474	3.6
133.10112	8.3
135.08078	4.9
135.11734	5.3
137.05978	1.1
137.09558	3.9
139.11186	1.4
142.07794	1.4
143.08525	4.5
145.06488	2.3
145.10097	12.4
146.07153	1.2
147.08003	8.2
147.11618	5.6
149.09589	8.5
153.09055	2.7
153.12724	2.9
155.08551	2.1
157.10094	9.8
159.07991	3.0
159.11700	2.9
161.09612	5.7
163.11168	11.9
165.09103	3.0
165.12698	1.7
169.10115	1.1
169.99368	1.0
171.11690	2.4
173.09589	4.3
173.11737	1.5
173.13234	1.5
175.11159	8.1
181.10077	1.7
181.12213	4.3
185.13295	1.3
187.11148	2.0
189.09526	1.4
189.11174	7.5
189.12700	2.0
191.10640	2.8
193.12204	17.7
205.12193	1.5
206.10818	1.2
207.13647	1.2
211.13155	1.8
213.12947	1.5
219.13799	6.0
223.13297	1.3
227.12682	8.5
227.17720	1.3
229.14240	2.0
249.14961	2.4
255.17290	2.6
267.15875	60.8
273.18423	16.5
283.15286	2.5
287.13895	1.1
291.19498	30.7
309.20563	6.9
313.21625	2.4
315.19275	1.6
329.21075	1.6
347.22156	3.9
365.23190	17.0
367.22968	1.3
383.24255	16.3
403.24542	1.9
433.25641	3.1
435.27017	1.1
447.27664	6.0
459.27640	2.2
465.29938	5.9
465.88239	1.0
475.26480	1.4
483.31186	5.4
493.27469	1.2
499.30682	1.3
501.32263	1.3
521.32404	2.2
529.35254	2.1
539.33527	19.7
557.34674	100.0
558.34875	1.7
575.35699	60.5
581.34668	1.7
589.37152	2.9
599.35809	2.6
683.37317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.5
69.17027	1.7
69.59664	0.4
70.06583	1.7
71.04974	0.4
75.04472	1.9
77.03922	0.9
78.04694	2.7
79.05473	3.4
81.03405	1.6
81.07051	0.5
82.04190	1.0
85.02889	5.2
89.03915	0.9
89.06034	0.6
90.04702	0.6
91.03937	0.3
91.05466	7.3
93.03389	6.2
93.03940	0.5
93.07029	3.2
95.04942	5.0
95.08629	0.3
97.02886	2.2
97.06520	2.3
98.22741	0.6
102.04675	0.3
103.05450	14.4
105.03396	1.2
105.04492	1.7
105.07016	4.5
106.04154	14.4
107.04941	7.4
108.05746	0.3
109.02890	1.0
109.06524	1.2
110.03643	1.2
111.04412	1.0
112.07578	0.7
115.03895	0.3
115.05427	3.5
116.06231	0.5
117.03376	0.7
117.06995	2.6
118.04151	3.0
119.04951	1.7
119.08569	0.4
120.05750	0.4
121.02934	0.3
121.06487	18.2
122.03656	1.0
123.04411	3.4
124.05185	1.6
125.05968	5.6
127.03894	1.0
128.06229	0.5
129.06999	1.1
130.04111	0.7
131.04910	13.3
131.08551	0.8
132.05707	1.2
133.02853	1.3
133.06450	5.0
134.03612	2.7
135.04410	1.0
135.08018	1.2
137.05939	3.6
138.03087	0.7
138.06721	0.6
139.07523	1.7
140.07034	0.7
141.06982	0.6
142.02589	0.5
143.04893	0.7
144.05676	1.3
145.02818	0.9
145.06458	5.0
146.03647	0.7
147.04417	1.0
147.07968	1.7
148.05157	7.7
149.05956	27.2
151.03926	2.5
151.07520	1.8
152.04636	1.1
152.08286	0.4
153.05455	4.0
153.09059	6.7
153.10220	0.4
155.04900	0.4
155.06006	1.3
155.07076	0.4
156.05617	0.5
157.06499	1.0
159.04419	0.9
159.08034	1.2
160.05229	0.7
161.05942	5.9
161.07162	0.6
162.07663	0.4
163.03894	1.5
163.07510	15.8
165.05464	1.3
166.06241	0.6
167.07007	38.8
171.04353	0.4
171.06538	3.3
173.05965	7.5
174.06659	0.7
175.07515	2.4
176.04648	1.5
177.05434	18.5
178.06290	0.8
179.07007	0.9
181.04924	46.9
181.08522	14.8
182.05275	0.8
187.07529	2.2
189.05420	1.0
189.09111	0.4
190.06215	1.4
191.06998	50.2
192.07520	0.5
193.04799	0.4
193.08557	4.3
195.06522	2.6
201.05457	1.0
202.06229	0.4
203.06995	1.5
205.06856	0.5
205.08600	4.2
207.06390	2.1
207.08112	0.8
207.09943	1.6
209.08046	100.0
210.08398	1.0
217.08575	2.2
219.07994	1.1
219.10153	2.2
220.07202	0.5
221.08052	1.0
225.07489	0.7
233.05881	0.6
233.08017	4.3
234.06642	0.4
235.07443	1.5
235.09619	3.7
236.08090	0.5
237.09152	0.5
239.02547	0.4
245.08063	1.5
251.06781	0.5
251.09085	0.6
257.08096	0.5
263.09116	10.3
264.07645	0.4
265.10751	1.0
267.09961	1.6
279.09921	0.6
282.08640	0.4
292.07150	0.4
293.07947	0.8
295.09415	0.6
297.11057	0.8
299.08902	0.5
307.05853	0.4
307.09464	1.0
322.08115	0.4
325.10648	1.3
329.10031	0.5
335.08990	0.5
337.10535	0.7
339.12210	0.7
341.12375	0.8
355.11542	0.6
357.13306	2.7
359.14862	0.5
367.11646	0.5
369.13181	1.1
371.13629	0.4
383.14517	0.5
385.12708	4.8
387.14120	1.3
399.14346	2.2
403.13754	0.4
417.15372	22.8
577.01392	0.4
579.20801	2.4
609.22736	0.9
741.25757	4.5
862.67914	0.4
986.36261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.471
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	13.0
69.07058	23.5
69.95164	4.1
71.04989	11.4
73.02901	11.0
73.24884	1.9
79.05479	81.6
81.03406	78.1
81.03891	4.3
81.07042	91.8
81.63445	1.7
82.04178	3.8
83.04507	3.4
83.04966	32.0
83.08607	40.0
85.02888	38.6
85.06534	5.1
87.04458	2.7
91.03939	8.0
91.05461	84.6
93.07027	52.3
94.04156	1.7
95.04948	55.7
95.08587	32.4
96.05740	2.2
97.02873	17.8
97.06512	12.7
97.10142	22.0
98.07287	5.6
99.04413	3.0
99.08070	2.9
100.21173	1.6
103.05457	2.4
105.04498	3.1
105.07007	52.1
107.04939	26.5
107.08574	34.4
109.06506	20.2
109.10141	35.9
111.04422	10.0
111.08085	17.8
113.01546	2.3
113.06011	4.6
115.05446	5.6
116.04689	18.6
116.06207	2.7
117.05621	2.0
117.07006	23.5
119.08550	51.8
121.06488	13.1
121.10128	24.9
123.04402	2.9
123.08043	20.3
123.11657	2.6
125.05997	2.9
125.09609	24.9
127.03890	3.3
128.06200	4.5
129.04547	3.0
129.05461	42.0
129.06956	23.3
130.07814	1.9
131.04871	2.0
131.08542	32.2
133.06477	11.0
133.10103	23.7
135.08057	12.1
135.11690	9.9
137.05923	2.5
137.09605	11.0
141.06950	2.8
142.07756	6.2
143.06975	11.0
143.08556	11.1
145.04941	6.3
145.06500	4.3
145.10100	20.9
147.08034	18.8
147.11668	24.6
149.09604	18.8
151.11206	2.1
153.09111	5.3
155.08524	3.4
157.06485	2.6
157.08577	19.8
157.10104	23.9
159.08014	4.8
159.11691	8.0
161.09590	14.7
161.13213	2.0
163.06035	4.1
163.07452	3.3
163.11142	16.6
165.09102	2.8
165.12706	7.0
167.08467	2.2
169.10159	2.6
171.06537	2.7
171.10146	9.2
171.11659	5.7
173.09581	3.7
173.11705	11.5
173.13005	2.2
175.11137	29.6
177.12759	2.4
181.10191	2.0
181.12189	4.8
183.11688	1.7
184.37900	1.8
185.09785	2.5
185.11603	2.0
185.13216	3.8
187.11182	2.4
189.09157	3.5
189.11183	10.9
189.12686	2.8
191.10645	3.9
193.12212	60.2
193.13948	3.5
197.07248	3.3
199.11320	4.0
199.13268	12.9
200.14020	3.9
203.14279	2.3
209.11708	4.1
211.13249	84.2
213.12805	2.8
217.14238	2.2
227.12701	15.9
227.17795	2.3
229.14250	7.1
245.18988	5.2
255.17694	4.2
258.19373	1.8
265.14282	2.9
267.15884	29.9
271.16907	2.1
273.18442	37.0
279.15198	1.9
283.15381	11.8
285.16898	60.6
289.17941	7.8
291.19479	36.9
301.16385	96.6
309.16125	5.7
325.15649	5.6
347.22107	8.2
365.23267	3.2
383.19736	25.4
399.19247	10.9
401.20825	45.2
407.23917	1.9
409.25574	2.8
417.20306	30.6
421.25491	3.4
427.26730	7.7
439.26831	54.5
535.45313	2.1
539.33630	4.1
555.31897	8.0
556.33533	2.1
573.34296	8.9
575.31219	3.7
591.34216	12.8
593.32086	9.9
609.31696	55.5
610.32825	3.2
627.32745	100.0
789.63379	1.8
948.67468	1.9
986.48083	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	986.6028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	2.5
69.07056	16.3
69.15487	6.6
70.30959	1.1
71.04974	2.9
73.02866	1.1
77.03910	1.7
79.05482	49.1
79.05943	2.5
81.03400	3.2
81.07044	53.7
83.04958	7.4
83.08603	16.4
85.02876	8.6
85.06529	2.2
87.44088	1.2
88.84344	1.0
91.03949	2.8
91.05466	37.8
93.07030	51.2
95.04957	35.5
95.08591	37.2
95.09206	1.9
97.02860	4.8
97.06531	7.0
97.10149	5.8
99.04442	3.6
100.05779	1.0
103.05476	1.5
105.04510	3.1
105.07011	31.5
107.04922	6.5
107.08582	30.4
109.06500	5.6
109.10139	19.7
111.03694	1.1
111.04375	5.9
111.08053	3.7
114.39671	1.1
117.07005	14.0
119.08565	22.1
121.06491	2.8
121.10126	20.3
123.08049	3.2
123.11688	2.8
125.09616	5.2
127.03877	1.8
129.06976	3.2
131.08540	17.2
133.10107	15.8
135.08066	5.1
135.11679	13.3
137.09538	3.0
139.11159	1.3
143.08528	3.5
145.04880	1.6
145.10095	16.7
147.08041	1.7
147.11691	10.8
149.09599	15.0
149.13222	6.1
149.14273	1.1
151.11180	1.2
157.10135	3.6
159.11670	7.7
161.13176	4.2
163.11169	13.4
163.14717	1.5
165.12727	2.3
169.10060	1.7
171.11635	2.4
173.11826	1.9
173.13237	4.8
175.14749	1.7
177.12689	2.3
183.11639	2.5
185.13231	2.0
187.11134	3.0
189.11206	5.9
197.13196	1.6
205.12196	1.5
213.16348	1.4
223.13220	14.7
227.12656	2.7
229.00597	1.1
229.19461	1.2
239.17862	2.5
246.45149	1.2
247.20686	1.4
257.18866	6.3
259.20529	1.2
261.22131	8.5
269.17529	1.6
275.20007	32.0
293.21051	18.1
303.14081	1.1
317.24466	1.8
331.22522	1.5
333.24338	2.1
335.25754	100.0
349.23688	20.0
367.24750	32.0
398.12976	1.1
419.12186	1.1
435.56006	1.2
489.35910	1.6
504.60388	1.2
515.36774	1.5
529.38806	6.3
569.41412	2.8
609.45074	36.3
627.46069	84.1
645.46906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	4.6
69.07057	22.2
71.04978	4.2
73.02925	2.2
77.58472	1.3
77.58916	1.6
79.05481	75.4
81.03388	6.9
81.07044	82.4
83.04955	9.3
83.08604	17.7
85.02887	12.4
85.06534	2.7
91.03931	5.1
91.05469	54.8
93.07030	73.2
95.04954	43.2
95.08591	52.9
95.09205	2.5
97.02860	7.3
97.06512	7.4
97.10150	12.6
99.04453	1.8
99.08060	1.5
103.05468	2.1
105.04506	5.3
105.07013	44.0
107.04950	10.0
107.08577	45.3
109.06519	7.8
109.10133	31.0
111.04453	4.2
111.08073	5.9
115.05496	2.0
117.06985	20.2
119.08563	32.6
121.06493	4.9
121.10117	33.6
123.08068	5.1
123.11653	8.1
125.09628	8.1
126.17632	1.7
127.03953	3.9
128.06223	2.0
129.06978	7.0
130.07722	1.8
131.08540	29.3
131.09445	2.2
133.10109	25.8
135.08026	3.1
135.11655	19.7
137.09642	3.5
137.13214	1.8
139.11133	2.2
143.08559	4.3
145.10100	23.6
147.08035	2.4
147.11659	16.4
149.09593	14.8
149.13232	6.7
151.11133	3.1
153.12805	1.4
155.08531	2.8
157.10100	4.7
159.11664	13.7
161.13243	5.6
163.11166	14.8
163.14743	3.0
165.12694	2.3
169.10136	3.2
171.11649	5.2
173.11681	3.6
173.13269	9.4
175.11154	2.5
175.14809	3.8
177.12714	2.4
183.11664	2.1
185.13295	2.7
187.11218	3.4
187.14769	3.3
189.11172	6.1
195.11523	1.6
201.16391	1.6
205.12308	2.2
219.17340	2.1
223.13188	15.5
227.12706	10.4
229.14346	12.6
229.19449	2.9
239.17885	4.0
243.21178	3.6
247.20494	2.1
255.03006	1.4
257.18942	8.5
259.20541	3.1
261.22147	11.9
267.15961	1.9
275.20013	51.9
293.21054	20.8
330.62338	1.5
331.22571	3.1
333.24243	2.6
335.25729	100.0
349.23666	36.1
351.25464	2.2
367.24713	30.6
410.05582	1.7
449.57767	1.5
489.35562	17.8
505.34824	2.4
529.38470	6.1
569.41840	2.6
609.45038	53.4
627.46075	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	986.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	5.6
69.07057	19.5
71.04980	2.7
73.02914	2.6
79.05482	55.9
80.05806	1.5
81.03397	7.2
81.07044	74.5
83.04967	7.5
83.08615	9.9
85.02907	8.9
85.06538	3.6
91.03939	4.5
91.05466	47.5
93.07031	57.3
95.04947	14.2
95.08592	49.9
95.09203	2.6
97.02859	7.7
97.06511	7.4
97.10150	5.8
98.22611	3.4
99.08068	1.6
103.05463	2.2
105.04496	4.4
105.07015	33.5
107.04936	4.3
107.08572	33.0
107.09248	2.9
109.06507	6.0
109.10130	19.7
111.08100	3.4
114.53864	1.7
117.07007	15.5
119.08556	28.1
121.06451	3.0
121.10134	26.7
123.08041	5.6
123.11689	5.1
124.19878	1.6
125.09628	4.0
126.30711	1.8
127.03910	5.5
128.06226	2.3
129.06987	7.4
131.08548	21.5
133.10104	19.9
135.08052	3.8
135.11673	17.2
135.22359	1.5
137.09598	2.1
141.06946	1.8
142.07761	1.6
143.08537	5.5
145.10101	16.3
147.11647	14.7
149.09595	5.8
149.13222	11.1
151.11188	2.5
157.10094	5.2
159.11684	14.1
161.13208	7.7
163.05939	1.4
163.11156	3.6
163.14836	2.7
169.10165	2.1
171.11678	5.9
173.04404	3.2
173.11861	1.9
173.13252	6.8
175.11165	1.7
175.14865	4.0
177.12717	3.6
183.11632	2.7
185.13188	4.5
187.14783	3.8
189.11220	2.7
189.16278	1.9
193.27307	1.7
195.13753	2.5
197.13272	3.9
199.14813	2.5
201.16331	3.1
217.15871	3.1
219.17265	1.8
219.99477	1.5
227.12717	2.6
229.14331	5.6
229.19490	3.5
235.16965	3.5
237.16429	1.6
243.21063	3.4
247.20398	2.3
255.15752	3.7
257.18954	6.3
259.20474	3.1
261.22134	13.1
267.15829	2.8
269.17413	20.1
275.20065	23.6
283.18979	3.5
291.19571	2.8
293.21149	4.1
309.20667	9.9
309.23550	2.0
317.24640	2.0
331.22586	2.9
333.24246	4.8
335.25754	100.0
337.26999	2.4
349.23679	27.0
367.24652	7.3
437.34113	2.1
473.35715	2.1
489.35260	8.8
515.37134	10.1
529.38806	72.2
530.38947	2.4
543.40082	3.2
551.40399	2.7
569.41827	30.8
609.45068	35.9
627.45990	18.1
771.49628	2.6
986.57227	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	988.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	7.2
69.07069	2.6
70.06577	5.8
71.01369	0.7
71.04981	63.6
73.02903	4.1
79.05488	8.5
80.05022	0.8
80.54832	0.7
81.03430	3.5
81.07043	6.7
83.08624	1.8
84.08158	3.4
85.02893	7.0
86.06037	5.2
88.03997	2.4
91.03970	2.8
91.05462	6.0
93.07027	7.1
95.04964	2.5
95.08582	4.7
96.04459	0.7
96.07505	1.1
96.08112	8.1
97.02878	6.5
97.10143	4.2
98.06081	1.8
99.04450	0.7
101.02362	1.1
105.07040	2.4
106.06562	1.4
107.08587	4.4
109.02911	1.1
109.10173	2.3
111.08099	1.0
112.07576	4.8
117.07043	1.6
119.08630	2.4
121.10127	1.9
124.07610	4.2
125.09656	2.8
127.03915	1.7
128.07193	0.7
131.08595	1.9
133.10136	0.8
135.08081	1.5
135.11658	1.6
140.07111	1.1
141.07932	1.1
142.08626	7.4
145.10176	1.3
151.43529	0.7
158.08109	8.4
163.11211	1.7
170.08182	3.1
179.14151	0.7
189.11267	1.6
227.12872	3.1
248.16621	0.9
253.19525	0.8
314.03796	1.1
335.25748	5.7
364.64380	0.8
646.43451	1.3
664.44525	2.6
720.86578	1.1
826.49146	3.2
961.26697	0.9
988.54486	100.0
989.55402	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	988.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	5.9
69.07077	2.1
70.06584	4.0
71.01360	0.7
71.04982	59.2
71.88223	0.7
73.02911	4.0
79.05486	9.0
81.03397	3.1
81.07040	5.7
83.04993	1.4
83.08620	2.8
84.08157	2.9
85.02901	6.3
86.06045	4.8
87.04469	0.9
88.03984	2.9
91.03979	2.8
91.05469	4.4
93.07038	5.7
94.06571	0.8
95.04978	2.7
95.08605	4.9
96.08122	10.5
97.02877	7.6
97.06533	0.9
97.10171	3.1
98.06065	1.9
101.02400	1.7
105.07046	2.7
107.08566	4.8
109.02888	1.3
109.10152	1.5
111.08077	1.2
112.07591	4.4
117.06999	1.4
119.08649	1.8
121.10176	2.3
123.08091	0.9
124.07570	3.3
125.09650	2.6
127.03932	1.3
129.05479	0.7
131.08592	1.3
133.10147	1.1
135.08090	0.8
135.11723	1.3
140.07123	1.4
141.07890	1.8
142.08627	8.3
145.10159	0.8
148.05402	0.7
153.09149	2.1
158.08110	7.1
163.11301	0.7
170.08113	3.9
189.11290	1.4
190.83435	0.7
193.12241	0.8
217.16241	0.7
222.87280	0.7
227.12746	4.1
261.22235	1.0
335.25674	4.6
530.27692	0.8
618.43378	0.7
626.95483	0.8
664.44702	2.8
808.49457	0.8
826.50098	2.9
952.90210	0.7
988.54559	100.0
989.56067	6.0
1007.25800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.8
69.07085	0.6
69.41375	1.5
69.41776	1.0
71.05006	1.0
73.02918	2.1
79.05499	2.2
81.03403	2.7
81.07063	1.3
83.08619	1.1
85.02891	3.3
87.04509	0.9
91.03960	2.0
91.05502	1.6
91.23721	0.5
93.07050	1.4
95.04975	1.0
95.08601	1.1
97.02874	2.8
97.06495	0.5
97.10166	0.8
98.23380	0.9
99.04437	0.6
101.02360	0.7
105.07036	1.2
107.08611	0.9
109.02844	0.7
119.08569	1.0
121.10121	1.1
123.08089	0.5
125.09733	0.6
127.03839	1.0
129.07050	0.6
131.08560	0.6
139.43021	0.4
140.31839	0.6
147.11702	0.7
149.09596	1.0
150.72922	0.5
157.10161	0.6
163.11191	0.7
175.11345	0.8
179.22934	0.5
185.04277	0.7
193.12291	0.9
196.66476	0.6
221.41223	0.6
243.08540	1.6
283.15106	1.6
333.11206	0.5
347.09543	2.2
349.19858	1.1
365.11334	0.8
405.13525	5.4
463.13919	0.6
501.22992	6.3
522.21368	0.6
567.27527	3.6
663.28119	7.5
729.32806	3.5
827.43994	1.4
910.01984	0.6
989.49036	100.0
990.49750	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	991.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	2.6
73.02892	2.2
79.05505	2.0
81.03423	1.3
81.07048	2.6
85.02905	3.2
85.38393	0.4
90.40326	0.5
91.03970	1.6
91.05505	1.5
93.07053	1.4
95.04957	0.7
95.08633	1.8
97.02883	3.5
101.02399	1.2
105.07061	1.0
107.08598	0.7
109.10165	1.0
119.08628	0.7
121.10155	0.5
127.03905	1.1
131.08565	0.6
133.10097	0.5
136.37752	0.4
185.04214	0.4
203.05345	0.7
243.08505	1.5
333.20535	0.7
347.09515	1.2
405.13608	3.4
464.28482	0.5
519.29474	3.7
551.28442	2.0
561.01184	0.5
612.50055	0.5
681.34570	5.5
713.33270	2.0
792.77887	0.5
991.55872	100.0
992.56348	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	991.559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	2.2
69.07070	0.6
73.02904	2.6
74.12576	0.5
74.23252	0.5
74.42822	0.6
75.60984	0.4
79.05509	1.6
80.20588	0.5
81.03411	1.0
81.07055	2.1
81.62122	0.5
85.02899	3.8
89.16026	0.5
91.03982	2.0
91.05502	1.4
93.07072	1.6
95.05010	0.8
95.08598	1.2
97.02881	3.9
98.22702	1.4
101.02401	1.7
105.07055	0.8
105.68996	0.5
107.08603	1.1
109.02889	0.7
109.10185	0.7
110.53904	0.5
112.79128	0.5
119.08570	0.8
127.03954	0.7
145.05037	0.6
151.92955	0.4
166.18825	0.4
167.71468	0.5
203.05353	0.9
243.08446	1.8
308.95242	0.6
333.20587	1.0
347.09332	2.4
359.21518	0.6
365.10657	1.0
405.13705	5.2
519.29431	3.5
551.28046	2.8
681.34473	5.7
713.33942	1.6
829.51160	1.0
864.64404	0.6
991.55847	100.0
992.55975	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	992.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03059	0.7
69.03418	11.3
71.01344	1.1
71.04975	0.8
73.02907	17.5
77.03918	2.8
79.05489	2.5
81.02956	0.6
81.03407	9.1
81.03883	0.5
85.02892	16.5
87.04434	1.4
89.03889	0.9
91.05468	6.9
93.07029	8.6
95.04952	17.8
97.02876	10.8
97.06477	0.3
99.04455	1.8
101.02364	0.5
102.56675	0.4
103.03946	0.5
103.05455	7.6
105.03377	100.0
105.04395	6.6
105.07008	1.0
106.03654	0.6
107.04936	0.5
109.02857	8.9
112.07664	0.4
115.03908	4.4
116.04387	0.5
117.03358	2.6
119.04945	0.4
121.06488	63.0
122.06801	0.6
123.04420	6.2
125.05965	0.5
127.03898	9.6
133.04929	1.4
137.05997	0.4
139.03862	0.4
145.02827	8.2
145.04915	3.2
145.10040	0.7
149.05960	1.1
163.07524	0.5
164.10684	0.4
165.05457	0.6
166.12251	32.3
167.07022	1.2
167.12578	0.5
173.09564	0.7
177.05440	18.1
187.11209	0.6
195.06540	1.3
197.09677	0.6
207.06519	0.7
215.10782	0.8
223.05901	0.5
231.06503	3.4
233.11752	0.9
249.07538	14.7
251.10632	0.6
251.12903	0.7
267.08597	16.8
279.10168	1.6
287.05573	1.0
294.12473	3.3
295.09726	1.1
308.22217	0.4
309.09747	0.6
310.08923	0.4
310.11774	2.0
316.61136	0.4
325.14319	4.1
339.10764	1.4
342.17090	1.2
356.14459	0.4
409.16379	0.7
432.20132	24.3
433.20599	0.9
533.16754	0.4
553.21130	0.6
571.22101	0.6
589.23163	1.1
698.27875	5.4
817.62512	0.4
860.33087	6.4
937.72540	0.5
992.37390	56.5
993.37384	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	998.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08001	1.8
69.08407	4.4
72.87598	0.9
81.03409	1.9
81.07065	1.7
83.08562	1.2
91.05434	1.6
93.07028	1.1
95.03722	0.9
95.04960	1.1
102.91248	0.8
107.08622	1.0
110.05968	1.3
123.03176	1.7
131.08478	0.8
147.19269	0.9
166.04964	12.9
169.03711	3.9
192.02931	4.6
195.01630	2.1
282.60248	1.0
290.04788	1.0
290.07861	1.3
291.05328	0.9
294.07428	1.4
304.06027	1.1
306.07526	9.5
308.09000	1.7
318.03714	0.9
319.04681	1.4
321.02673	1.2
322.07202	1.7
330.07626	1.3
336.04971	2.0
336.08658	1.9
336.12396	1.2
337.09335	1.6
338.10120	1.2
343.04376	0.8
345.02628	1.5
347.04178	1.8
352.11810	9.6
354.13306	3.8
364.04379	1.3
368.07413	1.0
375.03552	1.9
388.04333	1.6
392.08789	1.2
418.10541	2.8
420.07907	1.2
431.07907	0.9
432.07928	0.9
433.09338	1.8
434.10492	1.1
445.09171	3.9
446.10342	2.5
448.06317	1.4
448.11819	2.3
451.10202	2.6
458.12057	1.0
462.10135	2.0
470.06537	0.9
472.07962	1.2
473.09009	1.4
474.10196	1.7
476.11514	7.8
477.13202	10.2
480.11041	1.3
481.12064	0.9
487.06924	1.6
488.07440	2.4
490.09058	1.8
499.07031	0.9
500.07254	1.5
502.08743	3.1
503.09277	1.3
504.10541	2.5
505.11694	4.4
513.08435	1.7
517.07477	2.1
518.08521	1.6
520.14215	2.0
528.06873	1.2
529.07587	2.3
530.08649	6.4
532.10168	2.1
533.10730	3.5
534.11761	2.7
540.06781	1.0
541.07739	3.7
543.09473	1.1
544.10187	2.0
546.08453	1.1
558.08154	3.2
560.09253	5.3
561.10345	7.4
562.10651	2.1
572.09583	3.5
576.12982	7.6
578.13257	1.1
587.12122	7.8
588.09296	3.1
589.10107	10.6
590.10211	1.5
593.09479	1.8
604.12329	32.0
605.12524	1.4
606.13354	2.3
623.12775	1.1
636.15015	5.4
637.12012	1.9
639.12933	1.8
652.13184	1.4
657.67291	1.0
666.11920	1.0
667.13049	2.8
683.15308	1.9
695.12250	3.0
697.17511	1.6
698.18982	8.1
709.13605	2.1
711.12640	1.6
713.17566	1.1
725.17200	5.6
726.17346	2.6
729.20081	3.5
738.13715	1.0
740.18909	1.6
741.16949	15.2
742.17096	1.6
757.20087	9.4
769.16473	64.6
770.16357	3.0
773.19147	3.1
784.18762	1.9
801.19147	100.0
802.19983	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	1001.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21828	4.2
107.01392	1.8
151.00380	3.0
159.04553	1.6
181.40561	1.4
183.04546	2.7
209.11876	3.8
211.04005	2.8
217.92409	1.5
227.03462	6.0
253.48895	1.3
255.02997	45.7
257.04553	2.9
283.02505	90.6
284.03226	11.8
285.04053	20.1
297.04172	1.5
307.19153	3.2
325.20178	1.5
397.13586	2.1
461.23102	1.3
509.01199	1.3
527.12286	2.9
556.12250	13.6
557.13049	23.5
719.18030	5.1
743.18359	3.8
766.11096	1.4
803.20477	100.0
804.20569	4.2
896.23016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96224	0.6
69.96595	0.4
71.01392	0.7
72.36365	0.3
73.02935	0.3
74.51991	0.2
81.03447	0.3
85.02956	6.4
85.51441	0.2
87.00897	1.4
93.03454	3.7
96.40116	0.2
107.01418	0.5
109.02966	0.8
111.04525	1.0
119.05024	0.8
120.09132	0.2
121.02963	0.3
127.04013	1.5
133.02940	0.3
145.02965	0.6
151.00389	1.7
155.03484	0.2
157.92314	0.3
163.04016	1.6
167.71382	0.3
171.03059	0.4
171.04485	0.4
173.04515	1.3
178.99774	0.4
187.04024	0.3
191.05621	100.0
192.05899	0.9
193.05995	0.3
199.04074	1.5
201.02028	0.3
215.03447	0.8
226.02687	0.3
227.03543	1.7
242.02171	0.4
243.03004	1.9
248.18256	0.3
255.02953	0.5
265.07407	0.3
271.02487	34.6
272.02890	0.6
284.03339	0.4
299.01981	59.5
300.02719	2.8
301.03528	3.8
337.09311	27.9
338.09769	0.4
445.07785	0.6
461.07095	0.8
462.08069	16.3
463.08881	0.7
505.09998	2.4
526.13831	0.3
607.12836	0.6
667.15198	66.7
668.15656	1.6
794.61707	0.3
806.18573	0.3
902.23584	0.3
954.65430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	15.1
72.99315	0.6
73.02953	16.3
73.03367	0.9
75.00887	0.6
83.01393	5.6
85.02951	3.3
87.00880	0.5
87.95127	0.4
89.02456	8.9
94.17482	0.5
95.01388	1.7
98.22683	1.4
101.02451	16.8
104.05069	2.6
106.06641	1.7
108.04553	3.0
113.02461	6.7
118.30026	0.5
119.03539	4.6
119.94662	0.5
122.06194	0.6
131.03543	1.6
132.04565	26.8
134.02588	0.7
134.06142	18.9
135.04578	0.5
143.03519	1.9
144.04552	1.0
148.04019	1.4
149.04594	2.7
150.05630	0.6
150.07693	0.5
152.07193	1.3
158.02504	0.9
158.06116	3.7
160.04016	1.3
161.04602	4.4
162.72047	0.6
176.03534	6.3
179.05663	0.9
188.03522	2.5
190.05096	4.9
203.05743	0.6
219.89540	0.4
221.06689	2.0
251.11899	4.7
255.11415	3.1
267.11398	0.6
279.11417	16.0
293.14459	0.5
295.10968	3.7
314.12418	4.2
323.10382	12.4
332.07748	0.6
337.11868	1.1
410.80222	0.5
431.18063	0.8
435.18008	2.9
459.17767	15.1
475.17053	4.6
489.10788	0.6
503.16760	89.3
504.17126	1.8
517.18280	11.4
518.18481	0.6
535.19379	100.0
536.19684	2.9
757.58081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	34.2
72.99311	0.9
73.02954	100.0
73.38974	0.5
75.00880	1.6
81.03471	1.1
83.01394	24.5
85.02960	6.4
87.00897	1.2
89.02451	15.6
95.01407	2.4
97.02954	1.6
98.21736	0.6
101.02454	67.7
113.02459	25.5
119.03502	9.7
125.02500	3.5
131.03531	6.8
143.03519	8.2
149.04573	17.5
154.92064	0.8
155.03522	2.6
161.04575	31.0
162.03178	0.8
177.05626	1.2
179.05663	2.4
203.05659	4.8
210.11656	0.5
221.06664	11.4
221.08672	0.8
227.03806	0.5
229.75304	1.1
265.14362	0.5
280.86328	0.6
327.08804	1.0
330.32504	0.7
535.19635	0.7
539.21033	0.7
652.17297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01082	1.7
71.01401	19.0
73.02943	4.6
74.31168	1.2
77.92870	1.6
80.02667	1.3
81.03456	1.9
83.01425	1.9
83.05050	3.2
85.02956	4.7
87.00858	4.4
89.02451	17.6
91.06343	1.3
91.22987	1.2
94.92572	1.3
95.05020	2.5
96.96023	22.2
97.02966	3.6
97.06594	1.7
101.02461	15.2
109.06588	1.9
111.08121	1.4
113.02451	6.5
119.03491	4.3
121.03001	1.3
123.04556	2.6
123.08171	2.0
125.02467	3.3
125.09727	4.9
127.07646	2.7
135.08157	3.0
137.09721	3.3
143.03531	2.7
153.09200	11.7
154.13979	1.3
161.04587	4.5
161.09651	1.8
163.11322	7.7
165.12781	2.6
171.10265	21.3
178.09941	1.9
179.05608	5.0
185.11859	9.0
191.10747	2.4
191.14450	10.0
197.11865	4.9
204.46234	1.3
207.10278	2.9
209.11853	38.0
210.12190	1.5
221.06662	1.7
225.11325	3.1
235.08180	4.2
238.12219	1.4
245.19133	16.2
256.99692	1.3
271.17038	3.8
279.44473	1.4
287.07428	1.5
289.18130	70.8
297.20844	1.9
305.08801	1.9
305.17804	1.5
307.19174	100.0
308.19534	1.9
309.20789	2.4
325.20218	32.5
327.21875	1.3
372.63562	1.4
379.12347	2.6
397.13492	35.8
415.14636	12.3
425.26947	1.6
488.87555	1.4
687.32672	7.3
705.33527	16.9
723.34082	3.0
818.22284	1.6
853.41162	1.6
865.31006	1.8
926.43732	2.8
939.71094	1.5
977.51672	9.7
995.52307	18.4
1013.52533	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	1013.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	28.5
73.02940	5.3
81.03465	4.0
83.01402	4.3
83.05032	8.6
85.02981	10.4
87.00883	5.1
89.02466	29.9
95.01419	3.2
95.05101	4.0
96.96017	11.3
97.02942	4.6
97.06596	5.8
99.00906	4.3
101.02469	26.3
107.05053	10.6
109.06621	3.5
111.00941	3.6
113.02448	17.1
119.03535	6.2
121.02958	4.2
125.02473	8.8
125.05955	4.3
125.09732	9.6
135.08203	4.4
143.03595	4.3
151.07716	22.6
153.09225	8.4
156.48341	3.1
161.04582	5.5
163.11353	7.6
163.41017	2.9
165.12854	7.7
171.10268	12.1
171.58272	3.0
176.08525	4.6
179.05632	9.6
181.12381	3.8
185.11877	10.7
186.11790	3.0
187.09801	4.0
197.11833	18.0
201.11403	6.5
207.10246	12.1
209.11861	86.5
221.06731	6.6
225.11354	9.9
235.08354	4.0
236.10588	3.4
245.18919	5.2
247.20685	5.7
255.16237	3.5
261.18622	9.0
287.16415	16.6
289.18173	17.3
291.19717	46.5
305.17618	69.6
307.19131	22.0
309.20746	100.0
323.18585	13.7
335.13287	3.2
341.23468	3.9
397.13498	39.5
415.14697	11.9
467.35101	3.6
685.30725	7.6
689.33887	4.1
703.31860	20.1
705.33044	5.2
707.35553	7.7
721.32941	4.6
853.42914	9.7
871.44360	3.6
887.48242	4.5
897.44922	7.5
899.46283	5.9
915.45459	17.1
926.45154	5.9
944.46252	5.4
977.51337	11.8
995.52277	76.0
996.52692	3.9
1013.53583	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	1013.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	23.9
73.02952	3.9
81.03490	4.1
83.05038	5.0
85.02962	6.1
87.00874	6.9
89.02459	22.2
95.01422	3.4
96.96036	4.0
97.02969	7.4
98.22559	4.6
101.02444	14.8
107.05051	3.8
110.03766	2.3
113.02451	6.9
119.03529	4.8
123.08220	3.1
125.02438	8.4
125.09740	9.1
135.08205	5.4
153.09238	6.3
161.04570	4.6
163.11301	10.8
165.12857	7.8
171.10310	4.8
176.08455	4.1
178.10010	3.2
179.05667	4.5
181.12352	3.7
191.10710	4.7
193.16002	3.0
193.46275	2.6
197.11844	11.4
207.10339	7.2
209.11847	68.8
223.13358	3.9
225.11453	2.9
235.08179	4.2
247.20650	8.4
287.16577	11.0
291.19717	74.2
305.17621	70.9
307.19083	4.0
309.20743	100.0
310.20889	2.9
314.09351	2.4
316.49066	2.6
323.18579	14.6
397.13571	31.9
415.14664	12.6
549.76770	2.4
685.30981	11.9
703.31915	17.1
721.33740	4.1
754.14966	2.6
915.46082	7.0
977.51947	3.5
995.52429	61.8
996.52686	4.5
1013.54175	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	1015.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47687	1.0
71.01393	18.5
73.02959	4.4
80.02689	1.1
81.03463	3.3
83.01411	1.8
83.05045	4.1
85.02962	4.2
87.00884	4.2
89.02458	14.9
95.01446	1.5
95.05024	2.1
96.96036	2.3
97.02972	4.4
97.06617	1.7
99.04514	1.7
101.02445	15.9
112.03340	1.1
113.02502	8.2
119.03542	5.2
121.03047	1.1
123.08238	2.1
123.78065	1.2
125.02459	4.5
125.09773	5.4
127.07665	2.5
135.08228	2.7
140.03522	1.0
143.03476	1.7
153.09230	13.8
161.04594	4.5
163.11313	6.5
165.12888	7.3
171.10281	23.9
178.10057	3.1
179.05650	4.7
179.14369	2.0
181.12361	2.2
185.11847	3.5
191.10791	1.4
193.15976	1.6
197.11845	7.0
207.10281	1.3
209.11858	44.6
212.88553	1.3
221.06679	4.4
223.13489	1.9
227.12950	1.3
235.08281	3.6
237.15036	1.1
238.12059	2.0
245.19200	3.5
247.20645	8.8
263.20163	1.4
273.18555	2.4
279.19693	1.9
289.18112	16.2
291.19693	63.0
297.20819	1.7
307.19180	71.8
308.19702	1.3
309.20749	100.0
310.21182	1.7
325.20221	40.4
327.21658	1.3
351.21686	1.1
376.47229	1.2
379.12405	1.8
397.13541	34.4
415.14600	15.7
486.00110	1.3
569.24341	1.4
671.32574	1.4
687.32190	6.0
689.34283	1.5
705.33527	22.2
706.33801	1.8
723.34418	3.8
806.35596	1.2
814.45874	1.2
928.47107	5.6
979.52051	3.0
997.33539	2.1
997.53821	25.3
1015.54755	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	1015.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	24.1
73.82758	3.6
83.05032	7.6
85.02958	8.8
87.00893	8.5
89.02461	21.5
95.01425	4.0
96.96025	7.7
98.22774	3.4
101.02463	18.1
111.00893	15.8
113.02455	10.3
116.67562	3.4
119.03506	3.1
121.57910	3.4
125.02461	7.7
125.09721	5.6
143.03528	3.9
149.09680	3.1
153.09213	12.0
153.12872	3.3
155.10825	3.5
161.04498	5.9
163.11334	3.8
171.10287	28.5
179.05627	11.7
179.14401	4.1
181.12358	4.8
185.11853	8.4
197.11839	11.3
209.11829	53.2
227.12921	6.1
229.14435	5.7
235.08107	3.6
247.20659	6.3
263.20248	4.0
273.18719	3.4
289.18143	17.3
291.19693	33.7
297.20859	3.8
307.19196	86.8
309.20737	100.0
325.20197	36.8
397.13580	34.9
415.14294	17.7
687.31970	13.3
689.33344	6.4
705.33490	35.4
707.34973	11.7
763.28162	3.6
861.46124	6.1
917.48053	4.4
924.16846	3.4
928.46527	8.4
979.53699	4.6
997.53839	37.8
1015.55505	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	1025.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
87.18372	1.0
102.53856	1.0
107.01401	1.5
137.14011	1.1
140.20511	0.9
151.00406	3.2
166.60628	1.0
177.57947	1.2
183.04529	4.1
201.11322	1.3
211.04051	2.9
227.03464	5.0
255.03021	48.5
255.05679	2.6
257.04605	3.1
283.02512	100.0
284.03195	13.6
285.04086	17.5
325.20209	2.7
391.06134	1.1
423.09476	1.2
527.12408	1.3
555.11865	1.2
556.12158	12.6
557.13171	36.7
558.13519	1.5
719.18823	2.7
735.87225	1.2
743.18005	1.5
754.36646	1.2
761.19452	5.7
803.20532	76.7
804.20605	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	1025.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	2.7
85.02955	33.4
101.02486	2.8
111.00890	100.0
113.40636	2.0
123.04526	3.6
125.09801	2.0
129.01944	16.4
153.09210	4.2
161.04636	2.0
171.10275	4.6
185.11838	3.7
192.77016	1.6
197.11909	3.3
209.11824	14.5
211.13145	1.8
245.19119	2.8
253.09334	4.0
289.18134	10.0
307.19162	28.3
325.20175	11.7
364.53632	1.8
368.82550	1.7
422.04938	2.1
525.26929	2.9
543.21045	1.8
543.28186	9.5
633.54626	2.0
764.40668	1.9
769.05377	1.8
782.41742	3.2
802.42212	1.8
833.47327	4.6
851.48425	8.5
869.49341	2.7
918.48834	1.7
981.50684	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	1027.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	24.3
71.41683	4.9
83.05016	5.9
83.15691	4.2
85.02979	6.9
89.02461	19.6
92.92796	6.6
96.95992	4.9
101.02448	19.6
104.99641	5.2
111.00903	8.3
112.16409	5.5
113.02453	6.7
119.03506	5.8
125.02392	5.1
125.09726	27.3
135.08162	7.5
153.09230	10.8
163.11325	8.5
176.08449	7.6
177.05588	11.9
185.11876	14.5
187.09813	9.3
191.10837	6.7
197.11885	10.9
207.10242	16.3
209.11842	100.0
221.06604	6.3
259.17035	5.7
261.18588	6.8
277.18228	6.6
287.16681	15.1
305.17548	75.4
323.18683	16.5
397.13358	13.8
685.30597	5.7
703.31934	22.8
705.56274	5.7
867.40509	10.7
883.44135	10.2
885.42047	10.0
895.44147	12.8
899.43030	12.0
901.43243	6.0
911.41498	6.1
913.44232	7.3
929.43408	13.4
940.43268	12.2
991.49390	58.0
1009.50562	40.2
1027.50916	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02952	3.4
80.02678	2.1
81.03482	3.8
83.01423	3.3
83.05022	9.8
84.02177	2.8
85.02956	6.0
87.00882	6.5
89.02461	20.9
92.92799	1.7
93.03508	2.0
94.34100	2.0
95.01408	3.0
95.05061	3.4
96.96027	3.0
97.02953	4.5
97.06583	2.4
98.21758	3.5
101.02459	14.7
107.05038	4.8
109.06609	2.1
110.03727	1.7
111.08190	2.1
113.02462	7.3
119.03532	3.8
121.02991	2.8
123.08196	2.4
125.02451	7.0
125.06129	2.2
125.09731	11.5
127.07663	4.7
130.88113	1.7
135.08209	5.6
143.03529	1.8
143.07156	3.2
149.09709	2.1
153.09225	11.6
161.04529	3.6
163.11267	8.4
165.12901	4.6
171.10281	18.6
176.08394	4.0
178.10001	5.5
179.05621	6.6
181.12323	2.1
185.11830	9.3
191.10770	4.4
191.14409	2.0
191.95135	1.6
197.11859	16.6
207.10274	9.3
208.35724	1.6
209.11847	100.0
221.06717	2.9
225.11339	3.2
227.12814	1.8
236.10687	2.3
238.12114	2.4
243.17570	1.9
245.18951	2.1
261.18744	2.3
263.16522	2.3
263.20016	2.1
277.18164	2.6
279.19739	4.8
287.16547	11.1
289.18137	12.3
291.15820	1.7
297.20670	1.7
305.14200	3.7
305.17606	53.4
307.19156	63.6
323.18579	12.7
325.20264	24.9
349.20963	1.7
393.32516	2.0
395.18677	1.7
397.13553	24.9
400.54614	1.6
415.14490	10.5
530.03070	1.7
568.90253	1.7
618.24390	2.1
685.31165	7.1
687.32404	7.1
703.31934	20.9
705.33307	24.5
712.82562	2.3
721.32678	2.1
853.43201	2.4
857.41827	6.0
869.42194	2.8
883.42853	2.9
885.45117	4.0
887.42999	2.3
897.44397	3.0
913.44122	2.2
915.46100	2.3
924.43494	5.3
931.45374	7.4
942.44922	7.7
993.50757	41.2
1011.51929	40.7
1012.51746	2.4
1018.02637	2.3
1029.52783	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	103.0038
Annotation	Malonic acid
Peak:m/z	Relative Intensity
52.81978	0.6
58.00599	1.9
59.01385	100.0
60.01724	1.4
69.37946	3.1
72.99309	3.2
103.92042	1.1
107.90853	0.7
113.28653	0.6
118.01083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02945	4.7
75.11002	1.3
80.02663	1.9
81.03485	2.9
83.01398	2.0
83.05034	2.2
84.02175	2.6
85.02969	7.1
87.00893	4.6
87.68230	1.3
89.02451	20.3
90.51463	1.4
95.05029	3.6
96.96034	7.8
97.02966	5.1
97.06599	11.2
99.00877	7.9
101.02457	17.6
102.94476	1.4
107.05021	5.6
109.06594	1.8
111.08192	1.8
113.02458	8.7
116.92889	1.9
119.03523	4.6
123.08178	2.3
125.02456	5.7
125.06097	29.5
125.09753	7.6
127.11311	5.8
131.03523	2.3
135.08130	1.7
141.09200	9.4
143.03442	2.7
153.09262	6.7
155.10835	4.0
161.04507	3.7
163.11302	5.8
165.09181	3.1
165.12830	7.6
169.08719	44.5
171.10283	37.3
179.05579	8.1
179.14369	2.3
181.12299	1.7
185.11852	3.9
193.12389	1.5
193.15826	1.7
197.11870	7.5
199.09726	2.9
201.11333	100.0
207.10262	4.8
209.11852	29.4
221.06685	3.4
223.13408	2.6
225.11082	3.1
227.12961	2.4
235.08241	6.5
245.19063	2.3
247.20688	6.3
263.19998	2.4
273.18759	2.1
287.16562	2.9
289.18097	6.3
291.19693	66.0
292.19955	2.3
293.21115	1.5
297.20868	1.9
305.08514	1.7
305.17606	15.8
307.19177	31.6
309.20755	86.1
310.20880	1.8
321.87372	1.6
323.09784	2.3
323.18652	2.8
325.20245	15.2
341.23294	8.9
379.12524	3.0
397.13531	45.0
415.14636	19.4
417.73227	1.8
475.30447	1.7
569.24457	1.7
599.25397	2.3
637.10992	1.8
687.32306	2.3
689.34229	3.1
703.31879	4.6
705.33417	6.0
707.35071	2.0
723.34796	1.8
859.42993	3.6
877.44867	2.1
933.47241	3.4
995.52148	9.2
1013.53302	6.5
1031.53955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	0.9
73.02960	3.6
80.02671	1.4
81.03455	1.6
83.01395	1.7
83.05030	6.1
85.02946	5.3
87.00896	3.9
89.02451	17.6
95.05049	3.7
96.96042	3.1
97.02964	3.6
97.06577	2.5
99.04539	2.5
99.08161	1.0
101.02448	15.2
102.65380	0.8
109.06564	1.1
111.00873	1.1
112.05267	1.8
113.02470	7.6
115.07650	1.5
119.03481	5.3
121.02949	2.1
123.00849	1.0
123.08174	1.2
125.02451	4.7
125.06150	1.2
125.09751	7.8
127.07638	4.8
131.03500	0.9
135.04579	1.0
135.08162	3.7
137.02460	1.0
139.07715	1.3
141.05560	0.8
141.09247	1.3
143.03528	3.1
149.04709	0.9
153.09221	16.4
155.10811	3.7
161.04572	3.4
163.11299	5.2
165.12848	3.0
171.10284	33.7
171.27449	1.1
176.25372	0.9
178.09979	5.0
179.05638	5.2
181.12413	1.6
183.13814	1.1
185.11858	9.6
191.10773	3.0
191.14436	2.9
197.11848	10.1
207.10272	1.9
209.11848	76.3
210.12126	1.1
211.13271	1.1
219.13889	1.1
221.06639	1.7
221.11906	1.1
223.13501	1.4
227.12914	1.4
235.08299	2.5
235.20546	1.0
238.12132	3.3
245.19185	6.4
263.20157	2.1
279.19763	2.2
281.21277	2.1
287.07596	1.0
289.18137	19.0
297.20737	4.3
305.17517	1.9
307.19177	100.0
308.19577	1.5
323.10141	1.4
325.20245	51.6
327.21747	2.9
379.12811	1.6
384.54767	1.0
397.13577	25.4
397.18765	1.4
415.14615	10.9
525.27454	1.0
569.24982	2.2
609.81946	1.0
636.26630	1.3
687.32275	10.0
705.33484	31.0
723.34680	7.3
855.43463	1.1
859.43829	8.6
871.43768	2.5
877.44073	2.1
885.44373	1.4
889.44458	1.7
897.44757	1.7
926.45331	3.4
944.46423	4.8
946.67908	1.1
977.51862	1.3
995.51935	15.8
1013.53320	22.3
1031.54749	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	1033.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
79.72430	4.5
89.02450	16.9
90.60167	5.0
96.96019	8.6
101.02478	7.4
113.02436	7.1
122.33732	4.3
163.11307	6.9
171.10248	5.5
185.11794	4.0
245.19189	9.3
280.61389	4.4
289.18143	49.3
291.19696	52.5
305.17358	5.5
307.19159	56.3
309.17496	8.0
309.20758	100.0
348.23267	4.6
397.13519	35.0
415.14478	6.1
435.94922	5.0
456.94235	4.6
780.99213	5.7
796.31177	5.2
928.46509	6.5
979.53033	12.7
997.53577	14.9
1033.51428	26.4
1045.37744	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	1045.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02934	13.8
77.79016	4.7
81.03468	4.9
83.01369	5.8
83.05022	11.2
84.02153	5.3
84.90958	5.7
85.02943	11.7
87.00878	5.0
89.02448	37.4
90.68287	4.1
95.05000	6.0
96.95992	12.8
97.02941	10.6
97.06575	10.9
101.02473	25.9
113.02457	16.6
119.03510	13.1
121.02979	7.0
123.08179	8.8
125.02442	13.3
125.06074	10.3
125.09724	31.5
127.07625	6.8
127.11234	5.4
133.06616	7.8
135.08238	5.3
136.05299	7.0
137.09709	8.7
139.07623	6.8
141.05602	6.3
149.06053	5.2
151.07654	15.6
153.09227	19.2
155.10788	7.3
161.04594	5.7
161.09805	5.5
163.11292	16.7
171.10286	68.0
177.05600	62.6
178.09846	6.9
179.05632	13.5
185.11795	11.4
185.38773	5.0
187.09779	11.0
191.05647	4.6
197.11838	20.5
199.09801	53.1
201.11343	57.3
207.10240	13.5
209.11853	100.0
213.11351	8.6
221.06688	6.8
225.11247	10.2
235.08208	7.0
245.19098	7.8
259.17087	5.5
266.52774	4.4
277.18124	9.1
285.15094	8.9
287.16403	6.3
289.18069	17.1
303.15994	35.0
305.17603	36.8
307.19153	69.7
321.17169	30.4
323.18643	12.9
325.20218	34.6
341.23236	8.7
397.13577	56.8
415.14703	28.2
447.23682	4.8
522.99750	6.6
579.23553	6.8
597.24408	6.5
685.31171	10.5
703.31659	14.7
705.33514	20.2
719.31360	21.1
818.35614	7.9
857.40942	8.3
869.41626	42.9
887.42871	83.6
903.42340	9.0
905.43982	44.8
924.10602	6.7
931.45569	7.3
947.43549	6.1
958.43311	8.2
991.48645	7.8
1009.50159	20.3
1027.51917	53.4
1045.51904	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	1047.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05023	5.4
85.02947	7.9
89.02468	15.0
96.95957	7.2
101.02438	20.0
105.64411	4.5
107.05068	5.8
113.02498	8.0
123.04514	6.3
125.09701	11.8
130.60120	4.5
163.11302	9.6
171.10368	4.9
179.05576	8.7
185.11842	10.2
207.10431	10.6
209.11845	56.1
216.11319	5.0
225.11221	8.7
245.19144	14.7
287.16461	9.9
289.18240	27.5
305.17603	51.7
307.19156	35.7
323.18588	17.3
355.21609	4.3
397.13620	35.5
403.68842	5.2
415.14532	12.0
685.30481	7.8
703.31464	22.1
867.40668	11.4
913.44263	10.4
924.43781	6.7
942.45160	9.4
975.49347	23.3
993.50647	100.0
1001.35950	6.4
1011.51892	57.1
1047.49011	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	1047.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02940	4.8
79.95767	1.1
80.02700	1.6
81.03452	1.7
82.07128	1.0
83.01400	2.5
83.05033	4.7
84.02160	0.8
85.02939	6.4
87.00870	4.3
89.02457	17.2
95.01372	2.1
95.05038	3.6
96.96020	10.0
97.02985	3.8
97.06590	4.7
99.00882	3.3
99.04536	1.6
101.02457	17.3
107.04995	1.7
109.02942	1.1
109.06586	1.5
111.08180	1.3
112.05342	0.8
113.02462	10.7
115.07638	1.1
116.92881	0.9
119.03479	5.5
119.93848	0.9
121.02966	1.2
123.04541	1.0
123.08173	2.6
125.02456	5.7
125.06087	7.3
125.09731	9.9
127.07674	2.3
127.11319	4.9
131.03537	1.1
135.08154	3.0
137.06166	0.9
137.09711	2.1
139.07703	3.9
139.11259	0.9
141.01953	1.5
141.09206	3.8
143.03493	3.3
151.11299	1.0
153.09219	10.9
155.10773	4.3
161.04607	3.8
163.11302	6.4
163.37860	0.8
165.09254	1.4
165.12866	3.7
169.08711	9.6
169.12379	0.9
170.14253	0.8
171.10284	35.9
178.10007	2.8
179.05640	6.8
179.10809	0.9
181.12308	1.1
183.10301	1.2
183.13940	1.4
185.11867	6.9
191.10779	2.1
191.14485	1.7
197.11868	9.8
199.09689	2.4
199.13420	1.1
201.11339	100.0
207.10287	2.3
209.11845	62.8
213.11351	1.1
221.06703	2.1
225.11301	2.4
227.12926	1.9
229.25291	1.1
235.08255	4.1
235.13705	0.8
236.10461	1.7
237.11386	1.0
238.12158	2.8
245.19138	2.6
253.09045	1.2
261.18518	2.7
263.20288	1.2
269.15414	0.9
277.17816	0.8
279.19577	1.7
287.16605	3.2
289.18170	9.8
295.02692	0.8
297.20752	2.6
305.08755	1.7
305.17581	17.8
307.19180	67.6
309.20465	0.9
323.09921	1.4
323.18716	4.8
325.20230	34.8
327.21716	1.6
341.19641	1.0
341.23398	3.2
379.12384	2.0
397.13556	32.7
415.14612	17.4
491.30231	1.1
551.23193	1.4
569.24426	1.9
581.24677	1.2
595.53717	0.9
599.25659	4.2
636.26733	1.0
657.30652	0.9
685.31000	1.8
687.32526	8.6
703.31604	6.1
705.33545	20.8
707.34247	1.4
721.33057	1.8
723.34375	5.1
779.38684	1.3
790.36786	1.4
820.37067	3.2
857.41266	1.4
859.43372	8.0
871.43689	2.8
877.44910	2.5
883.43427	1.7
889.44427	23.8
897.45013	1.5
901.44525	1.5
907.45355	7.6
915.44366	1.2
949.46039	1.3
993.50500	6.5
1011.52155	7.3
1029.52649	5.0
1047.53711	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	1049.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02953	6.7
89.02469	14.5
97.00040	3.4
98.22614	3.1
101.02468	14.0
113.02472	9.2
116.92925	3.4
119.03464	3.4
125.09735	3.8
129.48251	3.3
153.09248	8.0
171.10274	17.2
171.78778	2.9
179.05663	8.8
185.11861	8.8
191.14542	4.0
197.11870	3.6
209.11832	29.8
218.27095	3.2
230.13507	2.9
234.94565	2.8
235.08209	4.2
245.19066	7.8
289.18103	47.5
291.19696	3.9
305.17642	5.6
307.19171	100.0
309.20737	10.0
325.20181	28.8
379.12579	3.6
397.13440	40.1
415.14749	15.6
443.28192	3.6
687.32312	10.2
705.33398	17.7
705.44281	3.8
853.43817	4.2
915.45703	5.8
917.36200	3.9
926.44647	5.5
944.45807	4.6
955.47406	3.7
977.51367	11.5
995.52325	59.5
1013.53693	33.5
1049.50549	21.2
1060.64331	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	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
54.57653	0.6
56.99802	0.6
59.01384	26.8
64.79947	0.6
67.65034	0.5
71.40429	0.5
71.40813	0.6
72.99316	55.0
73.99658	0.9
74.00069	0.8
75.00879	58.2
75.41473	0.6
76.01214	0.6
80.57944	0.5
90.37228	0.6
103.00388	1.4
105.01945	100.0
105.37592	0.6
106.02282	2.1
107.86394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	2.0
83.01397	3.0
85.02953	6.7
87.00877	0.5
89.02448	1.6
95.01395	1.1
97.02959	0.8
98.22685	0.9
99.00877	2.1
99.04523	86.8
101.02447	34.7
111.00935	0.5
111.53575	0.4
113.02453	7.7
118.85512	0.4
121.02988	0.4
125.02452	37.3
129.01965	0.5
135.86536	0.4
140.52487	0.5
143.03500	5.8
159.02980	2.3
161.04573	8.5
193.05177	0.6
195.03012	0.4
203.11407	0.4
235.11870	38.7
241.41196	0.5
277.12912	18.5
317.16061	8.5
321.11807	0.5
335.17249	0.8
359.14987	1.3
379.16089	100.0
380.16486	1.0
521.20679	0.6
542.63696	0.5
683.25848	3.1
890.84094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
84.07855	3.5
85.02952	7.8
87.00847	4.2
89.02448	26.0
95.00127	4.1
95.05056	5.3
96.96012	5.6
97.02940	7.8
98.22607	13.3
101.02435	19.5
107.05027	12.0
109.06616	4.0
113.02471	17.3
116.92861	7.3
119.03515	7.7
125.02467	9.8
125.06063	12.3
125.09722	7.6
135.08168	4.8
139.07600	5.5
141.09142	5.8
143.03525	5.6
151.07664	41.4
153.09216	9.8
161.04512	8.0
169.08717	15.6
171.10271	55.1
179.05617	10.6
185.11786	4.6
191.10881	4.6
191.14415	5.5
196.66368	3.9
197.11832	6.2
199.09897	5.0
201.11331	79.0
207.10298	6.0
209.11877	49.8
219.35245	4.6
221.66298	4.4
225.11462	5.2
235.08171	5.6
245.19078	4.4
248.42636	4.2
256.50507	4.2
277.18109	4.9
287.16492	5.2
289.18170	41.7
295.19064	4.2
297.20703	5.9
305.17612	36.9
307.19180	100.0
309.20691	7.7
323.18530	8.4
325.20264	30.7
341.23355	8.4
379.12723	5.2
397.13580	60.4
415.14716	30.3
685.31934	6.1
687.32416	16.8
703.31854	14.5
705.33807	28.3
706.13879	4.8
723.34204	9.0
735.51477	4.6
790.36139	4.5
853.42865	6.9
859.43408	18.9
871.42676	12.2
877.44153	9.0
889.44067	7.9
993.50323	29.1
1011.51929	34.3
1029.51611	16.9
1065.51086	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	1075.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.9
83.27290	0.2
85.02961	3.1
86.00083	0.4
87.00882	3.3
89.02450	32.5
91.85133	0.2
95.01473	0.3
96.21104	0.3
97.02954	0.6
101.02448	15.7
112.05291	0.6
113.02458	4.9
119.03513	1.6
120.05814	0.3
121.06044	0.2
125.02443	2.1
131.03516	14.6
134.07413	1.2
135.08170	0.9
137.09702	1.0
139.07666	1.2
143.03549	0.5
149.04568	26.6
149.09727	12.5
153.09216	4.1
161.04576	0.6
167.10785	14.6
186.87971	0.3
191.05612	8.9
208.13658	0.3
209.11861	0.8
225.15012	1.2
233.06625	0.4
243.16035	0.6
251.07680	0.9
293.08743	2.6
311.09860	1.1
405.21356	1.8
537.25568	100.0
538.25757	1.2
699.46375	0.3
841.17615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0456
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
52.68904	0.3
56.63390	0.3
65.03961	0.4
66.03499	0.4
69.11160	1.6
69.11566	0.6
69.88603	0.3
75.53780	0.3
80.08315	0.4
80.63699	0.3
81.03471	0.8
90.03479	0.6
90.77382	0.3
91.01917	1.3
97.85995	0.3
107.02705	0.4
107.03783	22.8
108.04570	100.0
109.02978	2.0
109.04128	0.7
109.04875	4.5
126.67387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01881	3.5
63.47270	1.4
67.01897	66.3
68.01427	2.7
68.02248	1.9
69.11161	7.6
69.11560	4.2
83.01390	6.7
85.00423	2.1
111.00893	100.0
111.01983	8.5
111.04502	3.9
112.00430	2.3
112.01220	3.8
112.04047	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01879	3.1
67.01898	100.0
68.02229	3.3
70.49569	3.1
76.51647	1.3
78.95921	2.0
83.01403	7.9
85.02921	1.8
111.00893	99.9
112.01221	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	1123.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	0.6
81.45883	0.5
83.01392	24.6
85.02948	5.8
87.00920	0.8
89.02449	9.1
93.03487	0.7
95.01387	2.2
97.02956	1.6
99.00912	0.4
99.04524	0.6
101.02452	63.2
107.01393	1.2
113.02457	20.4
117.03473	0.5
117.25227	0.4
119.03516	8.2
125.02447	2.7
131.03520	6.6
139.41150	0.4
143.03506	8.8
147.03087	1.0
149.04568	18.3
151.00401	1.8
154.04219	0.7
155.03505	1.8
159.04495	0.6
161.04572	29.4
169.06735	0.5
175.04199	0.4
183.04562	3.2
191.05579	0.5
203.05670	4.7
205.21597	0.4
211.04041	2.5
221.06673	11.8
222.93695	0.4
223.13576	0.7
227.03517	6.4
255.02995	52.5
256.03696	1.6
268.03845	1.0
269.04581	1.6
283.02496	100.0
284.03265	10.6
285.04053	25.0
297.03992	0.7
299.01987	0.7
327.05060	0.9
429.08298	2.7
446.08557	19.2
447.09296	2.3
489.10422	32.4
531.11243	3.1
591.13342	0.9
651.15717	73.3
652.16162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Maleic acid
Peak:m/z	Relative Intensity
57.66332	0.5
60.68851	0.6
69.46495	2.1
71.01385	100.0
71.05047	0.6
72.01724	1.8
73.04081	1.3
74.02499	0.7
87.00886	0.6
97.93169	0.8
98.22607	1.0
114.93432	2.2
115.00374	4.2
116.02567	2.2
116.07182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
53.85399	1.4
56.17628	1.4
58.45683	1.6
58.51511	1.6
59.01387	9.0
70.57474	2.5
71.01389	100.0
71.05025	2.0
72.24010	1.5
87.00875	7.6
102.39607	1.4
115.00370	9.2
115.92103	4.5
116.07198	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	116.0508
Annotation	3H-Indole
Peak:m/z	Relative Intensity
53.85265	0.4
58.44168	0.4
58.64231	0.4
59.01374	1.2
60.99691	0.3
71.05030	1.3
73.02950	20.4
89.01452	1.8
98.02519	0.4
99.00877	1.9
99.52834	0.4
99.92592	42.1
115.82414	0.3
115.92095	1.4
116.02567	6.6
116.05073	37.9
116.07198	2.9
116.92868	100.0
117.01955	3.1
117.05421	2.1
131.91670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01869	0.8
70.76156	0.4
73.02950	100.0
74.03282	3.1
89.99228	0.3
91.04275	0.3
99.00888	8.1
99.92601	2.7
100.92615	0.4
116.92869	5.8
117.01952	11.4
117.92884	0.9
118.02265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0301
Annotation	PHENYL ISOCYANATE
Peak:m/z	Relative Intensity
50.00344	0.2
50.95612	0.2
60.98922	0.2
63.83548	0.2
64.01916	0.3
64.71679	0.2
65.44262	0.2
69.07285	1.4
74.03296	0.2
90.03503	10.7
91.03832	0.6
100.52959	0.2
100.92606	2.3
101.92442	0.4
110.19603	0.2
117.92889	5.4
118.03007	100.0
118.92679	1.0
118.93406	0.3
119.02567	0.8
119.03336	6.4
119.05048	0.3
121.07974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0301
Annotation	PHENYL ISOCYANATE
Peak:m/z	Relative Intensity
50.00326	0.3
64.01918	0.3
68.35735	0.2
69.26952	0.7
69.27358	0.3
77.71568	0.2
80.28882	0.2
85.69674	0.2
90.03504	10.6
91.03841	0.3
98.22592	0.5
100.92606	1.9
105.63185	0.2
117.92890	4.6
118.03006	100.0
118.92702	0.7
119.02538	1.0
119.03327	6.4
119.05035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.4
83.53584	0.2
91.01920	0.3
107.01389	1.0
108.02170	1.1
109.02940	0.3
109.23858	0.1
113.02509	0.2
118.99007	0.2
119.01317	0.2
121.02969	0.5
123.04544	0.3
125.02449	0.3
132.02211	0.2
133.02974	0.4
134.03766	0.3
135.00909	0.3
135.04556	0.2
137.02435	0.2
145.03006	0.2
147.04495	0.2
147.28857	0.1
148.01685	0.5
148.60146	0.2
149.02495	0.3
150.03249	0.2
151.00386	4.0
152.01169	1.3
153.01985	0.2
160.01646	0.8
160.04019	0.2
161.02460	0.4
163.00385	1.2
163.04083	0.2
164.01157	0.4
165.01900	0.2
167.03496	0.8
169.01428	0.3
171.04535	0.2
172.05222	0.2
174.03302	0.4
175.04016	1.1
178.99846	1.9
179.03552	0.2
183.04593	0.2
183.68350	0.1
187.03981	0.2
188.04816	0.4
189.02036	0.2
190.02739	0.4
191.03506	0.2
191.05566	0.4
193.05064	0.6
198.03252	0.5
199.03987	0.7
201.02011	0.4
203.03571	0.3
211.03961	0.3
215.03523	0.6
216.04349	0.4
226.02730	4.5
227.03540	2.4
228.04245	0.3
229.01407	0.2
233.75771	0.2
236.13858	0.1
241.01465	0.2
242.02100	0.2
243.02986	11.8
244.03554	0.3
245.04547	0.2
254.02229	4.1
254.04776	0.3
255.03006	9.2
256.03513	0.2
271.02499	52.5
272.03210	2.0
273.03903	0.3
283.02515	0.6
284.03363	0.2
285.04047	0.4
299.01987	0.7
300.02771	61.5
301.03540	10.0
337.09247	1.0
343.04514	0.5
463.08908	0.7
503.08524	0.3
504.08850	0.4
505.09903	100.0
506.10486	1.0
521.12872	0.3
636.69507	0.2
1021.35400	0.4
1183.43921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.85468	0.7
59.01371	2.5
70.02981	0.8
70.53016	1.3
91.03045	1.4
91.05550	1.7
93.03472	4.8
98.22530	0.7
101.03975	2.4
101.92437	3.2
111.86904	0.7
117.03459	2.1
118.92652	5.2
118.93410	0.8
118.96581	2.8
119.02592	7.3
119.05038	100.0
120.02003	0.9
120.05341	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	119.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85468	0.7
59.01371	2.5
70.02981	0.8
70.53016	1.3
91.03045	1.4
91.05550	1.7
93.03472	4.8
98.22530	0.7
101.03975	2.4
101.92437	3.2
111.86904	0.7
117.03459	2.1
118.92652	5.2
118.93410	0.8
118.96581	2.8
119.02592	7.3
119.05038	100.0
120.02003	0.9
120.05341	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	121.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24119	1.6
66.03487	6.0
69.39062	9.4
75.11185	1.7
91.75704	1.6
93.03477	3.9
93.25203	1.7
94.02988	27.4
108.02227	2.1
121.02968	100.0
122.02486	19.4
122.03323	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
56.55796	1.8
66.03481	5.9
70.49249	4.0
93.03482	4.2
94.02996	28.3
99.74838	2.1
121.02972	100.0
122.02491	17.7
122.03324	5.4
126.21247	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.52284	2.9
70.32835	3.2
70.33192	6.3
87.28859	3.4
93.03439	4.3
94.02965	4.3
121.02969	100.0
121.03860	5.2
122.02499	3.8
122.03300	6.0
122.43246	2.8
135.89064	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	123.0454
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
50.12377	1.5
53.60048	1.3
64.41869	1.1
64.87563	1.1
66.03492	42.1
67.01910	2.1
68.99837	2.1
69.39934	5.0
76.12655	1.2
78.03489	7.8
79.95721	1.4
80.02680	1.9
80.05075	1.6
81.03475	4.6
82.02991	3.4
93.03480	5.6
94.02992	86.2
95.01388	39.8
95.03339	5.3
95.05032	12.5
96.01710	1.4
96.04555	18.1
98.21898	2.0
105.03465	2.5
106.02988	2.2
108.02158	9.4
109.01723	2.6
111.69800	1.4
122.02477	3.9
122.03735	20.2
123.00911	19.9
123.02714	2.6
123.04537	100.0
124.01660	3.8
124.04054	56.3
124.04855	5.0
127.67147	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.061
Annotation	Toluene-cis-dihydrodiol
Peak:m/z	Relative Intensity
50.00197	17.5
62.96399	17.9
69.03465	30.5
69.25923	78.7
69.26352	27.8
81.03463	23.4
94.70164	18.2
95.03333	33.2
96.99329	32.6
97.02940	54.8
97.06616	31.0
98.22636	41.3
124.98846	17.8
125.00073	23.0
125.02458	97.4
125.04434	31.0
125.06069	100.0
126.01981	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
50.98343	1.0
58.29641	1.1
70.61755	2.7
74.58891	1.1
85.02957	100.0
86.03305	3.7
95.71651	1.1
102.35233	1.4
129.01936	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	129.0196
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
67.01894	3.1
69.61156	1.6
69.96288	4.9
75.52600	1.3
79.22364	1.4
85.02958	100.0
86.03300	5.3
109.22446	1.4
121.63962	1.5
129.01976	3.6
130.08742	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	130.0876
Annotation	Isoleucine
Peak:m/z	Relative Intensity
51.53408	1.0
52.70895	0.9
53.29653	1.0
55.70407	1.1
70.26365	2.0
73.07652	1.0
84.08166	1.2
95.30811	1.0
130.08754	100.0
131.09099	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	130.9987
Annotation	Oxaloacetate
Peak:m/z	Relative Intensity
58.00593	1.7
59.01383	100.0
60.01707	2.4
67.95998	1.0
72.99317	2.7
87.04520	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
56.24192	0.7
57.03451	1.5
59.01377	3.1
69.17685	0.7
69.53332	2.3
70.73724	0.7
70.74292	0.7
71.01386	100.0
72.01723	2.2
72.99315	18.9
87.00883	5.9
87.04525	5.7
89.02446	13.5
96.76218	0.7
107.03633	0.7
115.00381	95.2
115.24421	0.7
116.00709	4.7
133.01440	19.1
133.05087	10.1
134.04689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.6
69.12291	2.5
69.12706	2.7
71.01390	91.7
72.01730	2.8
72.99317	18.0
87.00887	3.8
87.04536	1.5
89.02454	9.2
107.03677	1.3
115.00387	100.0
116.00712	3.7
127.38087	0.7
132.31004	0.8
132.90051	1.9
133.01443	19.1
133.05078	4.8
134.04739	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	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
65.00317	2.0
69.10146	11.9
71.01389	18.3
71.42220	1.4
72.99316	3.8
77.03968	22.3
87.00874	2.0
87.04525	1.9
89.02442	2.5
89.03967	6.0
94.38453	1.8
95.05030	33.2
100.04931	1.5
104.02736	3.3
105.03468	61.8
106.03786	3.3
107.03632	2.3
115.00407	11.6
123.04530	5.9
132.02184	22.6
133.01459	3.3
133.02971	100.0
133.05069	3.5
134.02446	6.1
134.03685	17.3
134.04782	6.9
137.32350	1.6
141.47948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
55.94938	0.5
57.03453	1.4
59.01382	2.3
60.51174	0.8
70.13438	0.9
70.13776	1.3
71.01385	100.0
71.43006	0.6
72.01728	3.5
72.99309	9.2
87.00883	18.1
87.04517	7.0
89.02451	15.4
92.02503	0.6
101.55056	0.6
107.03632	1.6
115.00378	38.5
116.00757	1.4
132.86786	1.9
132.90009	2.8
133.01448	8.2
133.05080	30.6
134.04675	5.6
149.74535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14819	0.4
59.01382	0.9
65.01448	0.7
70.81009	0.7
71.01387	51.6
72.01718	1.3
72.99320	0.5
80.02546	0.6
87.00885	15.3
87.04530	5.0
89.01942	0.8
89.02460	11.2
89.03024	0.7
92.02551	8.8
107.03648	37.3
115.00372	3.9
115.17659	0.4
119.44515	0.4
123.43365	0.4
132.86798	0.6
133.01463	0.9
133.05087	23.0
134.04741	100.0
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	Adenine
Peak:m/z	Relative Intensity
60.25502	0.2
61.56782	0.2
62.00543	0.2
65.01459	1.2
68.02538	0.7
70.56734	0.2
70.57055	0.3
72.01719	0.3
80.02547	0.4
92.02551	9.6
93.02869	0.4
104.82592	0.2
107.03643	36.0
108.03994	0.9
134.04738	100.0
134.89510	0.3
135.05223	3.9
138.20819	0.2
138.22231	0.3
145.82448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0454
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
59.01392	2.9
63.08416	1.6
63.15113	1.4
69.21571	10.4
72.99302	5.5
75.00882	21.6
87.54549	2.0
88.68736	1.8
107.05029	3.3
121.02981	9.1
121.04142	1.9
134.03770	10.8
134.89490	6.9
135.04544	100.0
136.04874	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	136.0167
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
56.72742	1.6
62.00311	1.5
69.03480	1.7
69.38020	3.7
69.38416	4.5
69.70356	1.5
81.82203	1.5
92.02681	25.2
92.05079	5.0
93.02955	2.3
93.03467	22.5
95.01386	8.6
108.02177	97.6
109.02499	4.9
111.02332	1.5
136.01671	100.0
136.03893	3.3
136.04897	5.3
136.89153	2.4
137.02486	35.6
140.04243	1.7
141.37378	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	137.0246
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.76867	0.3
57.17719	0.3
62.12458	0.3
65.03971	1.2
70.96146	0.4
79.49312	0.2
81.03464	3.6
83.13255	0.2
86.94241	0.2
89.13267	0.3
91.01904	1.2
92.02676	0.4
93.03467	9.4
94.03803	0.6
108.02179	8.1
109.02986	4.8
110.03323	0.3
119.01416	1.6
123.03289	0.4
136.01678	12.2
136.89186	0.8
137.02457	100.0
138.01938	1.4
138.02803	5.9
138.05623	0.4
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	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
52.03722	0.2
52.09560	0.3
53.86826	0.3
61.01500	0.2
62.01929	0.3
64.82017	0.3
65.03960	1.3
69.51060	1.1
72.58368	0.3
81.03461	4.3
91.01923	1.2
92.02701	0.5
93.03469	13.6
94.03792	0.6
95.01353	0.4
98.61123	0.3
108.02187	7.4
109.02974	4.9
116.56013	0.3
119.01395	1.2
123.03306	0.4
134.79980	0.3
136.01672	13.1
136.89224	1.4
137.02458	100.0
138.01939	1.1
138.02800	5.9
138.05637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0611
Annotation	1-(4'-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
50.08318	1.2
65.03976	2.6
69.22301	4.7
69.22706	2.4
81.03450	7.4
91.01890	2.5
93.03467	62.5
94.03001	3.1
94.03802	3.0
95.02554	1.2
95.05045	1.7
99.92569	6.4
106.04254	37.9
107.05079	9.8
108.02183	19.0
109.02962	7.1
110.02492	1.5
114.30287	1.1
119.01397	1.4
119.05042	34.0
120.05415	2.0
123.03290	10.8
135.04549	3.3
136.01668	11.5
136.86308	17.3
136.89192	60.2
137.02470	100.0
137.04372	3.9
137.06094	78.0
137.59290	1.6
137.89235	4.2
138.01988	14.4
138.02872	6.0
138.05618	17.5
138.06479	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
53.33344	0.3
70.48213	0.7
83.01383	0.5
92.02711	0.8
93.03476	0.8
94.02993	0.8
94.03835	0.7
95.01381	0.6
95.40784	0.4
98.10798	0.4
108.02187	73.0
109.02509	3.6
110.02479	0.5
111.00902	1.6
123.00905	0.6
123.03280	3.0
124.01658	0.5
138.01982	100.0
138.05559	3.3
139.00475	0.8
139.02342	4.6
139.03929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
60.57884	0.3
61.91887	0.2
65.23799	0.3
69.05582	0.6
69.05984	1.3
92.02692	1.5
95.01401	0.3
95.65509	0.3
103.04978	0.3
108.02185	75.1
109.02524	4.1
111.00858	0.4
138.01982	100.0
139.02332	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43097	2.0
53.00315	29.5
56.99814	2.9
59.01390	5.7
68.99832	5.3
70.59953	3.3
71.01389	52.9
74.19160	2.2
79.45204	2.1
80.99829	7.0
87.00892	12.3
89.60143	2.5
96.99324	30.2
110.03623	2.5
112.98824	40.8
113.99210	2.7
115.00397	6.2
124.98820	65.7
125.99158	3.4
140.98305	11.2
142.99889	100.0
143.01016	5.9
144.00232	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	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27301	3.6
51.59540	3.3
53.00313	32.3
57.01118	3.3
58.00592	6.4
59.01384	10.0
62.26828	3.4
67.01902	45.4
68.99821	7.3
70.75221	3.6
70.75565	4.5
71.01392	46.6
73.02964	7.1
80.99811	8.9
87.00886	14.5
96.99304	28.2
99.04494	17.2
111.00890	100.0
112.01199	5.2
112.98823	38.1
115.00352	5.6
119.59233	3.6
124.98817	62.2
131.98849	3.8
140.98303	14.4
142.99883	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0351
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.00324	19.6
54.92286	3.3
58.00605	4.6
59.01376	7.7
63.86969	4.3
67.01894	59.0
68.02231	5.8
68.05154	3.6
69.37204	18.0
71.01384	37.3
73.02956	8.6
80.99836	4.6
87.00871	9.2
96.99323	16.7
99.04536	16.5
111.00891	100.0
112.98810	27.0
115.00384	3.6
124.98807	48.1
140.98254	9.5
142.52959	4.1
142.99884	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0715
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01913	1.5
58.97974	1.2
61.97525	1.2
62.51493	1.4
69.03485	2.1
69.32169	7.7
71.01385	5.3
72.64273	1.5
72.99314	68.3
73.99660	2.4
83.01405	2.1
85.02950	3.8
97.06599	57.1
98.06918	2.0
99.08186	1.7
106.41519	1.4
125.02404	1.6
125.06095	100.0
126.06422	5.0
136.08707	1.5
143.03542	2.7
143.07144	16.6
143.10793	1.9
144.04564	4.1
152.37663	1.3
152.38898	1.4
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	alpha-Ketopantoate
Peak:m/z	Relative Intensity
53.51023	2.9
55.64742	3.4
59.01369	6.4
61.98837	11.2
65.01446	3.9
69.78642	9.0
71.01392	5.2
71.05019	4.0
72.99314	80.6
85.02945	3.9
89.01484	16.4
97.06602	65.7
99.04531	7.8
99.08188	3.6
99.92596	13.1
108.53264	3.1
116.02558	12.8
125.06099	100.0
125.07018	6.3
126.06485	6.9
142.92522	9.1
143.02502	16.1
143.03618	18.6
143.07135	24.5
143.86490	6.1
144.04568	78.8
161.87549	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
55.01867	0.3
57.03443	0.5
58.02995	2.2
59.01390	0.8
65.99852	0.4
71.01378	1.5
71.25410	0.4
73.02966	0.6
81.03462	0.5
82.76518	0.3
83.05022	1.4
84.04553	0.5
87.00877	1.0
96.31946	0.3
99.04487	0.5
100.07698	0.7
102.03484	0.7
102.05623	2.2
112.01234	0.6
115.00359	0.7
116.05057	0.5
117.03492	2.5
127.05167	0.4
128.03522	0.5
144.04565	100.0
144.86983	0.5
144.96516	1.1
145.01544	0.5
145.02966	1.4
145.04958	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
60.87094	0.3
65.99864	0.5
69.44539	1.3
78.79872	0.3
83.00179	0.3
83.05028	0.4
84.37981	0.3
102.03517	1.4
116.05062	0.9
117.03498	0.3
133.33603	0.3
144.04564	100.0
145.03868	0.5
145.04910	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	145.0873
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
62.00858	0.5
62.75550	0.6
90.90350	0.5
97.06606	2.5
97.85336	0.5
99.08170	100.0
99.34146	0.6
100.08515	4.7
101.06087	1.1
127.07655	3.1
143.07190	1.4
145.04027	0.8
145.08728	27.8
146.02481	4.5
146.09117	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	146.0462
Annotation	3-Aminopentanedioate
Peak:m/z	Relative Intensity
55.02874	0.7
57.03455	13.6
57.18295	0.7
59.01086	0.7
59.01382	11.5
61.01859	0.7
69.82089	2.1
69.84929	0.7
71.01391	6.8
71.05029	17.1
71.99441	0.7
72.01722	0.8
72.99305	1.0
73.02956	1.2
73.06591	1.8
74.02471	1.7
75.00883	3.1
82.02981	0.8
83.01400	1.3
83.05037	6.3
85.02959	25.7
87.00887	27.6
88.01214	1.6
89.02475	0.9
98.22778	0.8
99.00909	1.5
99.04530	1.3
101.02454	2.8
101.06094	22.0
102.05621	100.0
103.04011	3.6
103.05951	2.7
103.24823	0.6
111.00919	0.7
116.00687	1.3
117.03502	0.8
118.02985	2.5
118.03818	1.4
119.91782	0.7
128.03551	34.7
129.01979	3.9
129.03978	1.8
145.05156	1.2
146.01591	0.9
146.02542	10.3
146.04594	11.0
146.05786	1.1
146.06195	1.0
146.86699	14.3
147.02017	1.7
147.03020	6.7
147.04622	3.3
147.06653	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	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03453	19.3
58.03780	1.2
59.01387	10.8
62.70755	0.6
71.01379	3.6
71.05031	17.3
72.99325	1.2
73.02969	1.5
73.06586	2.6
75.00878	1.6
83.05028	2.9
85.02959	61.8
86.03301	1.9
87.00887	100.0
88.01216	2.4
92.05065	1.1
99.00925	1.1
99.04513	1.8
101.02442	3.1
101.06094	26.4
102.06435	1.0
103.04022	8.8
103.05970	2.0
103.27437	0.7
124.20906	0.7
129.01956	11.9
130.02234	0.7
145.05067	1.0
146.86717	3.2
147.03020	20.6
147.04309	1.5
147.06645	14.9
147.07819	0.8
148.04051	2.4
168.78459	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Citramalate
Peak:m/z	Relative Intensity
51.44821	1.1
56.14521	1.1
57.03450	31.3
59.01383	16.3
69.15600	8.3
71.01365	6.7
71.05035	5.7
73.02960	7.9
75.00895	3.9
83.05012	2.9
84.35140	1.1
85.02954	100.0
86.03287	2.6
87.00880	59.4
98.22639	1.9
101.02448	19.7
101.06094	13.8
103.04021	23.6
103.05928	1.9
124.68008	1.1
126.42648	1.2
129.01941	10.6
147.01967	3.0
147.03008	17.0
147.04651	2.6
147.06638	29.7
148.04088	3.1
148.07741	1.5
150.22887	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0665
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
57.03450	23.7
57.29221	1.3
69.37923	4.8
71.01379	2.1
71.05035	1.4
73.02943	6.4
74.38218	1.3
85.02954	100.0
86.03280	2.9
98.22720	2.3
99.77109	1.2
101.02445	21.3
101.06094	13.9
103.04020	33.1
147.01945	2.0
147.04552	2.6
147.06638	45.7
148.04030	1.9
148.06903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0093
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
50.83593	1.3
52.73094	1.4
55.05088	1.2
55.87304	1.2
58.81206	1.3
59.01388	44.4
59.57597	1.3
60.08520	1.1
63.07370	1.1
65.99164	1.5
69.11259	9.0
72.99319	84.8
73.99674	1.2
75.00877	7.7
87.00887	100.0
88.01246	3.8
93.03454	2.6
94.99341	2.5
103.00385	14.6
105.01944	9.1
107.28262	1.2
121.02971	5.8
130.99899	3.3
134.03764	24.8
149.00945	35.3
149.02272	2.6
149.04506	1.4
149.06081	4.7
150.00220	1.6
150.03246	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	149.0456
Annotation	L-xylulose
Peak:m/z	Relative Intensity
59.01381	19.6
69.03463	3.0
70.05439	1.2
70.05760	2.1
71.01388	31.7
72.99310	20.5
73.02563	2.0
73.02950	25.4
75.00874	21.5
77.03973	2.5
85.02961	1.9
85.44760	1.0
85.96158	0.9
87.00880	25.9
89.02451	100.0
89.82423	1.1
90.02803	2.4
92.95982	1.2
93.03461	4.2
94.99309	2.9
95.01386	1.8
98.06144	1.0
101.02433	1.3
103.00358	1.9
103.04019	5.7
104.04261	1.0
104.97674	1.1
121.02970	10.0
123.04532	4.0
131.03506	10.4
133.01543	1.4
148.86386	10.4
149.00981	10.1
149.02534	8.5
149.04559	33.1
149.05885	1.9
150.00220	1.2
150.05600	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	149.061
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
54.46413	2.9
58.00602	3.4
59.01382	50.2
65.00307	5.4
71.01375	8.8
72.99316	73.7
73.02951	3.6
75.00875	14.9
77.03982	9.3
79.01893	3.3
87.00888	76.4
89.02441	12.1
91.05537	8.7
93.03476	26.8
94.99316	29.8
95.01396	9.5
95.05035	12.1
103.00378	7.2
104.97760	7.5
105.01933	8.9
105.03490	5.9
106.04256	47.3
107.05051	12.9
108.02186	7.3
108.04569	8.7
121.02962	75.3
121.04903	2.9
121.06580	3.9
123.04531	6.7
131.05016	4.9
134.03754	100.0
139.04031	10.2
148.05310	8.1
148.96729	5.2
149.00928	34.0
149.02431	46.7
149.04489	9.7
149.06091	93.7
150.00198	7.0
150.03128	4.5
150.05571	11.9
150.06573	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	150.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57931	0.4
55.37521	0.4
59.01388	1.9
59.11497	0.5
66.00951	0.4
70.90218	0.9
71.01379	4.0
73.02952	0.6
81.03457	2.3
89.02459	1.7
93.03458	2.1
94.02962	0.9
95.01427	0.8
95.05027	3.8
101.02463	1.2
104.05087	0.5
105.03500	1.1
108.02184	2.9
108.04563	0.8
109.02975	0.6
109.37074	0.5
111.00942	1.0
121.02958	1.4
122.03760	10.0
122.06149	1.6
123.04540	100.0
124.04871	4.8
126.03127	0.6
131.03754	1.0
132.48210	0.4
133.01620	4.2
134.02478	1.7
134.03645	0.6
136.01677	4.9
148.04120	0.7
149.04816	0.8
150.00288	0.6
150.04288	1.8
150.05620	33.8
151.02788	0.6
151.04021	9.5
151.05939	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
60.42200	0.2
70.77903	0.2
71.01385	0.2
92.02688	2.8
95.01399	0.7
98.21920	0.6
108.02183	6.7
122.03677	0.4
123.04526	1.1
134.12355	0.2
136.01678	100.0
137.02017	5.5
151.04034	7.9
151.05252	0.4
152.03398	0.3
152.04495	0.4
169.01575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09711	1.8
81.98232	0.2
98.22694	0.5
108.02139	0.4
108.04594	0.4
109.02983	2.0
110.00095	0.3
121.02942	1.4
122.03748	42.4
123.00905	0.3
123.04029	2.0
125.83034	0.3
137.02016	0.5
137.40018	0.3
152.03545	100.0
153.01917	0.6
153.03905	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	152.0355
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
55.71920	0.2
64.23756	0.2
70.41180	0.7
78.03513	1.7
82.27117	0.3
92.02748	0.3
104.01470	0.4
106.03008	0.4
107.03788	6.0
108.02177	0.4
109.02965	1.5
121.02950	0.7
122.02397	0.9
122.03751	33.3
123.04041	1.5
124.04842	0.4
134.02541	0.4
135.03293	0.7
137.02010	0.5
152.03548	100.0
153.01994	0.5
153.03920	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	154.0148
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
65.99850	1.2
68.99820	0.4
69.56628	1.0
82.03013	0.4
89.43336	0.3
93.17253	0.3
95.01395	0.9
107.01401	0.8
108.02177	0.6
108.59814	0.3
109.01724	0.4
123.00004	0.4
123.00907	10.2
124.01680	31.2
125.02004	1.3
154.01480	100.0
155.01833	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	154.0512
Annotation	Antibiotic BN 227
Peak:m/z	Relative Intensity
55.01883	5.2
57.03445	2.3
58.02980	81.6
59.01388	4.0
59.03316	1.3
66.03522	0.9
67.01894	2.2
68.99810	2.9
69.03458	10.9
70.02975	0.7
71.40755	1.1
82.02975	3.5
83.01390	9.2
83.05025	3.2
84.04556	13.4
85.02972	0.7
85.59724	0.9
86.48854	0.7
93.03460	1.7
94.02981	3.7
94.97639	0.8
95.01393	25.3
96.00930	6.3
96.01675	1.2
97.01731	1.1
105.99079	0.7
108.04570	1.1
109.02931	1.7
110.02538	1.9
110.03306	1.6
111.00909	6.7
111.04538	6.3
112.04055	44.1
113.04396	2.2
123.00867	0.7
124.04023	2.5
125.24702	0.7
126.05595	1.2
129.71057	0.8
136.04048	5.9
137.02467	6.1
137.03439	1.3
138.03239	36.4
139.02748	25.4
139.03557	1.5
140.03108	1.3
145.15750	0.7
154.01477	2.4
154.05113	100.0
154.99857	2.8
155.02650	1.1
155.05461	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	154.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37787	1.0
61.98821	1.9
70.34579	2.9
76.35310	1.0
81.60638	1.1
82.02983	9.9
83.01396	3.9
91.09712	1.1
93.03496	1.9
95.05040	18.2
96.96024	5.4
107.19096	1.2
110.02525	1.3
113.06120	1.3
113.57253	1.2
118.89984	1.7
123.00842	1.9
124.01661	2.4
139.04027	100.0
140.04382	3.7
153.86884	89.1
154.01506	8.9
154.05135	2.2
154.06346	20.9
154.86885	4.1
154.99908	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	154.9988
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01882	9.9
57.03433	0.8
67.01895	25.6
68.99823	0.6
69.03464	0.7
69.74232	1.9
70.02972	1.1
71.01380	1.5
78.95907	1.7
81.03453	1.1
83.01395	72.0
83.05052	2.2
84.01717	1.5
85.02964	1.2
93.03481	0.8
96.96027	1.0
98.02440	0.5
102.45394	0.6
109.02941	0.6
110.94404	1.7
111.00891	100.0
111.04530	7.1
112.01217	2.6
112.04054	1.2
112.92329	5.0
114.05618	26.9
127.00390	2.7
137.02437	0.6
154.86894	0.8
154.91560	1.0
154.93394	1.8
154.94754	2.4
154.99889	12.3
155.03606	1.2
155.86598	2.2
156.06674	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	155.108
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
50.00723	1.3
55.01867	3.0
58.23730	1.3
67.01871	1.5
71.41913	1.6
76.18094	1.6
78.00338	1.4
79.64931	1.5
83.01390	6.0
105.02984	1.4
111.00852	2.6
111.08119	1.9
114.05607	3.4
154.99828	1.7
155.07236	2.2
155.10785	100.0
156.11128	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
58.73542	0.5
59.01385	3.9
68.99821	0.4
69.38968	1.2
69.39367	0.9
71.01366	0.4
71.05026	4.5
80.71392	0.4
84.99324	0.8
89.45475	0.4
93.30865	0.5
95.88892	0.4
98.21893	1.0
99.00887	0.8
102.18344	0.5
111.08143	1.1
113.06100	100.0
114.06440	3.8
114.93376	0.7
127.00403	1.7
156.60027	0.4
156.89470	0.8
157.05087	7.3
157.06248	0.4
157.08717	4.3
157.12317	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	157.0772
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
57.03458	0.6
59.01382	23.3
68.99814	1.1
69.03446	1.7
71.01389	0.6
91.00220	0.4
95.05042	1.0
99.00876	1.8
107.22022	0.5
111.08194	0.6
113.02471	0.5
113.09721	1.3
114.05588	0.6
114.93407	0.7
114.98895	0.9
115.05956	1.0
116.05071	0.5
116.07204	2.8
127.00394	2.6
128.05055	1.5
130.06645	5.5
139.07690	0.5
141.04617	1.0
156.06871	0.7
156.89519	1.3
157.07712	100.0
157.12318	5.8
158.06093	1.2
158.08118	6.8
160.61572	0.5
174.41991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0664
Annotation	3,3-Dimethylglutaric acid
Peak:m/z	Relative Intensity
56.39025	0.3
57.03439	0.5
57.40675	0.3
58.02972	1.3
59.01384	0.7
69.03466	0.5
70.44049	0.6
71.01389	0.9
73.02940	1.7
83.01390	0.4
85.02941	0.5
86.59229	0.3
87.00891	0.9
97.02980	0.4
97.06599	5.5
98.21912	0.3
99.00883	0.4
99.92603	1.7
101.02425	0.5
111.00902	0.7
112.01707	0.6
113.02450	0.5
113.09727	0.6
114.94939	2.0
115.07660	100.0
116.08009	3.6
116.92872	6.8
117.92919	0.3
129.01930	0.6
132.02185	0.3
141.01932	0.5
141.05588	6.2
142.05911	0.5
148.60301	0.3
149.17775	0.3
158.93898	0.7
159.03033	1.3
159.04506	0.8
159.06645	27.8
159.10297	0.9
160.04068	1.0
160.06967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03455	22.1
59.01384	29.0
69.03439	0.9
69.17490	3.7
69.40537	0.7
70.51781	0.7
71.01389	26.0
71.05030	35.3
72.99315	2.1
73.02955	18.2
73.06589	0.7
75.00874	1.5
81.03481	3.3
83.01406	3.5
84.02179	0.9
85.02953	16.3
87.00887	100.0
87.04514	1.5
88.01224	1.7
88.04041	1.0
89.02455	2.5
89.04392	1.2
95.01405	1.9
97.02975	2.9
98.21849	1.6
99.00900	2.0
99.04531	53.6
100.04862	1.5
101.02456	15.7
112.98820	0.9
113.02455	4.3
115.00386	1.2
115.04012	9.6
117.03503	1.1
117.05598	17.2
118.03011	0.9
118.05901	1.2
119.95247	1.0
131.03531	3.5
133.02983	2.1
133.47501	0.8
134.02490	1.0
143.03516	7.6
160.84250	8.3
161.02434	3.3
161.04584	41.5
161.08205	6.0
162.01999	3.3
162.05614	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	6.0
57.03460	33.7
57.16371	3.3
59.01384	77.8
69.03442	3.3
70.79657	3.1
71.01392	100.0
71.05026	67.5
71.40820	4.6
72.99320	6.3
73.02953	55.0
75.00908	4.3
81.03481	13.7
83.01393	20.6
85.02959	74.1
87.00872	22.2
87.04521	12.5
89.02454	9.6
95.01421	11.4
97.02967	10.8
99.00904	8.3
99.04530	93.4
101.02454	47.3
101.62140	3.3
113.02453	26.9
114.07009	3.2
115.04024	23.2
115.07700	4.1
117.03485	3.8
117.05592	78.7
118.02990	4.8
125.02445	4.6
131.03546	15.9
135.04480	7.4
143.03473	12.4
147.03253	8.8
160.84235	12.8
160.89258	6.5
161.02458	7.7
161.04599	71.1
161.08234	44.1
162.01999	9.5
162.05647	62.4
162.08578	4.2
171.20961	3.7
171.22432	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	161.0457
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01866	3.8
57.03446	14.2
59.01384	89.6
71.01387	54.4
71.05042	16.2
71.40662	3.3
72.10075	3.6
72.99302	3.0
73.02951	100.0
75.00847	5.0
83.01395	24.5
85.02957	72.6
87.00874	3.6
87.04521	6.7
89.02415	4.5
95.01389	16.0
99.04523	21.1
101.02470	11.5
113.02456	57.4
115.03996	7.9
117.03446	3.7
117.05586	27.1
118.02999	4.1
131.03551	8.9
132.02214	3.6
133.02989	29.5
141.32158	3.5
161.02469	26.3
161.04559	8.7
161.06009	7.1
161.08206	32.3
162.01985	4.4
162.05626	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.061
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
54.87074	1.0
55.52600	1.2
55.80258	1.3
57.03442	2.5
59.01384	15.7
69.04713	8.2
71.01390	10.0
71.05029	9.5
71.25884	1.3
72.67425	1.2
73.02954	12.5
81.03453	2.1
83.01398	2.1
85.02947	11.3
87.04523	4.6
91.05546	89.5
92.05892	3.5
95.22270	1.1
95.96819	1.1
99.04520	13.1
101.02449	2.6
113.02462	3.3
115.04043	7.1
115.05542	2.7
115.07661	2.2
117.03497	12.2
117.05650	16.6
117.07118	63.7
118.03001	3.7
118.07466	2.7
119.05053	10.2
131.03513	2.9
133.02960	10.5
133.06625	4.1
135.04541	2.3
160.89238	1.1
161.02499	11.7
161.04617	7.7
161.06099	100.0
161.08130	24.8
162.02016	8.4
162.06439	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	161.0821
Annotation	Oleandrose
Peak:m/z	Relative Intensity
57.03454	2.9
59.01375	10.7
61.49542	1.4
61.90449	1.2
69.03466	1.3
69.53068	5.2
71.01391	14.3
71.05023	45.0
72.05331	2.0
72.99284	1.5
73.02952	9.3
79.25021	1.3
81.03457	3.4
83.01398	3.0
85.02952	11.6
87.04527	14.1
89.02451	2.1
99.04526	91.0
100.04866	3.9
101.02475	1.9
101.06095	1.6
113.02457	3.0
115.04014	26.1
115.04774	2.0
115.07666	13.6
116.92824	1.3
117.05593	63.1
118.92674	1.7
131.03484	2.7
133.03006	7.9
160.84233	28.6
160.89308	2.6
161.02481	10.7
161.04622	7.8
161.06053	2.7
161.08206	100.0
162.01987	2.9
162.03233	1.2
162.05626	4.5
162.08502	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	161.0822
Annotation	Oleandrose
Peak:m/z	Relative Intensity
59.01376	3.2
61.63467	0.9
65.69285	1.0
69.30244	4.1
71.01385	10.2
71.05031	44.1
73.02950	2.7
73.24750	0.9
85.02953	3.3
85.79226	0.9
87.04523	13.6
98.21868	2.2
99.04533	100.0
100.04885	2.4
101.06132	1.7
115.04029	30.4
115.07671	12.0
116.04335	1.2
116.08020	1.2
117.05595	63.8
118.05988	1.4
131.03459	1.1
133.02983	10.6
161.02481	7.5
161.04628	2.2
161.06061	2.8
161.08217	94.0
162.08578	3.4
183.59442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0821
Annotation	Oleandrose
Peak:m/z	Relative Intensity
58.00573	1.1
59.01376	2.5
69.03484	1.0
69.42165	3.7
69.73336	0.9
71.01388	9.2
71.05024	40.6
73.02973	1.5
74.16541	0.8
78.10746	1.0
81.03423	0.9
85.02950	1.3
86.69804	1.0
87.04513	13.7
98.22684	1.3
99.04526	100.0
100.04876	4.0
101.06036	1.2
115.04021	27.1
115.07660	11.1
117.05587	56.2
118.05945	1.6
126.92691	1.0
133.02956	2.7
161.02451	2.2
161.08209	94.8
162.08560	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
51.83630	0.2
59.01372	0.5
69.44679	0.7
69.45097	0.4
71.01393	0.4
85.02949	0.3
91.05554	0.5
93.03457	1.0
101.02446	0.5
105.20352	0.2
108.81643	0.2
110.82854	0.2
117.03503	0.4
119.05039	100.0
120.05377	4.8
121.02983	0.5
135.04546	1.9
149.02400	0.2
154.00064	0.2
162.89203	0.3
163.00349	0.8
163.04030	6.0
163.06136	0.5
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	Unknow
Peak:m/z	Relative Intensity
58.77429	0.3
59.01382	1.2
63.57831	0.2
69.52610	1.1
71.01391	0.7
77.09178	0.2
85.02952	0.5
91.01904	0.5
91.05535	1.3
93.03467	2.2
98.21861	0.5
101.02460	2.0
107.05057	0.6
109.66408	0.3
117.03479	0.3
119.05039	100.0
120.04536	0.5
120.05368	4.8
121.02972	0.5
135.00917	0.6
135.04532	1.9
137.06169	0.2
148.01649	0.3
162.89313	0.3
163.00395	1.9
163.04022	7.8
163.06093	1.4
163.07480	0.3
164.04552	0.3
164.07051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
59.01383	3.5
60.09008	0.7
65.00333	0.9
68.99818	0.9
70.33900	1.8
71.01396	1.7
85.02954	2.3
91.01892	2.4
92.01443	1.0
93.03478	2.4
95.01415	1.4
101.02441	5.7
104.39008	0.8
105.01916	1.0
116.92094	5.7
117.91871	1.2
118.92503	1.5
118.99293	1.5
119.01421	2.3
119.05036	10.8
120.04585	1.2
131.54547	0.7
132.99747	0.8
135.00909	3.3
135.04535	1.5
136.66037	0.7
147.08134	1.2
162.83945	8.2
162.89331	2.1
163.00366	10.3
163.01472	1.3
163.04033	2.5
163.06116	3.6
163.11302	100.0
164.03563	3.7
164.11633	6.3
179.25372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	Tricaine
Peak:m/z	Relative Intensity
52.67445	0.2
52.96488	0.2
59.13560	0.2
73.02499	0.2
77.03973	0.2
80.05074	2.4
93.03481	0.3
97.25976	0.2
98.21819	0.4
108.04558	0.3
108.08208	2.5
109.02937	0.2
120.04565	1.2
121.02979	2.2
121.05349	18.1
122.03731	0.2
122.05674	0.9
123.04536	0.4
124.04050	0.3
135.03270	0.3
136.04083	1.0
136.07695	16.9
137.02463	0.6
137.04823	1.5
137.08057	0.8
149.04836	10.6
150.05190	0.5
152.03571	0.3
153.04308	0.7
164.03528	2.0
164.07179	100.0
164.83647	0.4
165.01947	0.3
165.05476	0.3
165.07542	4.7
181.03806	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	164.0719
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.82190	0.7
52.78018	0.5
69.98582	1.9
72.00913	48.5
78.91970	0.6
91.05541	5.1
96.37225	0.7
97.52521	0.6
103.05553	5.9
120.04568	0.8
121.02996	1.9
123.04534	3.1
137.02397	3.1
147.04536	100.0
148.04857	4.7
164.07184	44.4
165.01958	2.2
165.05594	2.2
165.07492	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	165.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92441	0.5
69.63791	1.3
75.00875	1.0
77.03954	0.7
86.22875	0.5
93.03471	1.4
95.95239	0.6
96.95982	2.4
98.21766	0.6
108.02180	2.8
109.02966	1.8
119.04949	0.5
121.02965	100.0
122.03187	3.3
123.04566	2.8
127.85136	0.5
136.01677	1.8
137.02458	12.2
139.04022	0.9
149.01015	1.0
150.03275	1.0
165.01949	16.0
165.05592	1.9
166.02380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98285	0.5
55.38736	0.4
69.68442	1.6
75.00869	0.6
77.03980	1.1
77.49248	0.5
96.96008	0.7
108.02192	1.6
111.23388	0.5
118.98294	0.5
121.02965	100.0
122.03257	4.1
123.04530	1.9
137.02466	3.0
149.22691	0.5
165.01956	9.7
165.05591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	L-Arabinonate
Peak:m/z	Relative Intensity
50.75896	0.7
55.01879	2.7
55.66931	0.8
57.03457	2.1
59.01382	10.7
64.84984	0.7
69.52704	1.4
69.53092	1.8
71.01389	8.5
71.84074	0.8
72.99319	7.1
73.02953	3.5
75.00879	100.0
77.03986	2.9
80.96540	1.2
85.02950	3.6
87.00883	71.4
88.01244	1.4
89.02443	3.7
93.03487	1.4
95.05047	1.2
95.18835	0.7
95.84988	0.7
97.31845	0.7
99.00898	12.7
101.02451	3.9
105.01944	54.6
106.02287	0.9
108.02160	4.0
108.04531	1.3
108.93761	5.9
109.02972	2.0
111.00908	2.2
115.03886	0.7
117.01980	3.6
119.03551	0.9
119.05053	1.0
121.02969	49.2
121.06613	1.6
122.02489	1.1
122.03822	8.0
122.06083	0.8
123.04541	32.7
124.04861	1.8
129.01955	9.8
135.03029	1.5
136.01711	1.4
137.02470	9.9
137.06110	0.9
139.34009	0.8
147.03001	9.4
149.00938	1.5
150.03256	3.3
155.49480	0.8
164.83643	9.2
164.89574	6.8
165.02049	5.9
165.04063	58.0
165.05585	19.7
166.01524	1.9
166.05083	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	165.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63787	0.5
55.01889	3.3
57.03455	3.2
59.01387	12.4
70.40689	1.4
71.01393	7.9
72.99323	5.5
73.02955	2.5
75.00880	86.2
76.01218	1.1
77.00676	0.7
80.96527	0.8
81.03471	2.5
83.01405	3.0
85.02958	6.5
87.00886	55.9
88.01186	0.9
89.02438	4.2
93.03486	2.9
95.01385	0.7
95.05039	5.0
98.21959	0.6
99.00898	11.8
101.02461	3.1
105.01946	46.0
106.02286	1.0
108.02185	7.6
108.93768	2.0
111.00887	0.6
114.16324	0.6
117.01990	2.9
119.03484	0.9
119.05032	1.4
121.02978	8.2
121.06617	0.8
122.03759	22.5
123.04543	100.0
124.01700	1.1
124.04875	3.9
129.01964	10.9
129.02864	1.1
135.03043	1.8
136.01717	1.0
137.02455	6.6
137.06071	1.0
138.05620	0.8
147.03006	8.1
147.04199	0.7
147.04622	0.7
150.03244	6.2
154.02757	0.8
164.90068	0.8
165.02055	3.5
165.04091	49.5
165.05609	50.9
165.37126	0.6
166.01570	0.6
166.04396	1.0
166.05972	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	165.0559
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
69.98363	0.6
69.98701	0.7
75.00893	1.0
77.03999	0.7
81.03473	1.2
85.02983	0.6
87.00890	0.8
91.63133	0.4
93.03493	2.1
93.57288	0.4
95.01408	0.4
95.05048	2.1
96.82897	0.4
105.01954	0.7
105.03504	0.4
108.02170	3.5
108.04570	1.5
109.02971	1.9
111.00949	0.4
119.05078	1.0
121.02970	10.4
122.03755	23.5
123.04538	100.0
124.01666	0.8
124.04859	3.3
136.01695	2.2
137.02454	10.8
138.02847	0.6
138.05620	1.1
139.48500	0.4
149.00992	1.3
150.03247	7.1
154.02701	0.8
164.83658	1.1
165.01947	7.7
165.05580	51.3
166.01466	0.6
166.05022	1.6
166.06032	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0558
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
55.01880	1.9
57.03454	6.7
59.01386	6.5
65.47971	0.6
65.66857	0.7
69.03487	0.7
70.06424	0.7
70.06773	1.8
71.01376	3.9
71.37185	0.6
72.99308	3.4
73.02945	1.3
75.00877	42.8
76.01228	0.8
77.03996	0.7
81.03465	5.8
83.01386	8.1
85.02474	0.7
85.02954	16.9
85.03468	0.8
87.00880	36.6
89.02451	1.6
91.01890	0.6
93.03450	3.5
95.01404	0.9
95.05038	11.1
97.27031	0.6
98.21926	1.3
99.00883	6.9
101.02452	1.5
105.01944	26.1
107.09899	0.7
108.02186	22.6
108.93757	3.0
109.02965	3.0
111.00884	0.8
117.01923	1.3
119.05037	2.0
121.02966	23.1
121.06644	0.9
122.03755	25.4
123.04536	100.0
124.01664	0.9
124.04868	2.8
129.01952	4.4
135.03020	1.2
136.01660	3.3
137.02452	15.8
137.06065	4.1
147.03018	4.6
147.04515	1.8
149.00989	0.8
150.03218	5.3
164.83653	2.5
164.89729	1.3
165.01965	9.4
165.04077	29.5
165.05586	61.5
166.05939	2.5
166.08710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
54.74157	0.3
66.03513	0.3
66.05384	0.3
66.48112	0.3
81.46449	0.3
88.12791	0.3
92.05071	1.3
93.03475	0.8
94.03017	0.4
95.01386	0.8
105.02222	0.5
108.02185	2.1
108.04498	0.3
114.21523	0.3
121.02995	2.0
121.05370	2.5
122.02483	1.2
122.03265	0.7
122.06150	0.4
123.00896	0.6
123.04549	0.9
124.98437	1.3
135.04530	0.8
136.01672	0.9
136.04199	0.9
136.05312	22.7
137.05661	1.3
138.01970	0.5
138.05568	0.5
148.04030	0.6
151.00345	0.9
151.02693	0.4
152.01190	1.8
166.01460	2.5
166.05110	100.0
167.03645	0.8
167.05452	4.4
186.59392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0511
Annotation	Orthoform
Peak:m/z	Relative Intensity
59.01366	0.4
66.03481	0.5
71.08951	0.6
77.56398	0.4
79.73689	0.4
93.03464	0.9
94.03008	1.1
95.01391	1.6
107.46098	0.4
108.02159	3.0
110.85425	0.3
121.02970	13.3
122.02511	0.9
122.03328	2.2
122.06136	1.1
123.00888	1.5
123.04527	2.1
124.01620	0.5
124.04084	0.6
124.98433	3.4
136.01694	1.7
136.05307	11.8
137.02443	0.7
137.05672	0.4
138.01921	0.6
151.02757	28.5
152.01164	4.4
152.03105	0.9
161.29358	0.4
165.83702	1.7
166.01457	5.8
166.05110	100.0
166.83466	3.3
166.99512	0.6
167.03493	2.3
167.05440	4.4
171.61868	0.4
176.89879	0.4
183.01753	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	166.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06586	0.4
65.00298	0.7
67.01897	10.5
69.06467	1.7
69.06895	1.7
74.20904	0.4
77.01302	0.5
77.56499	0.4
78.95901	1.7
79.95754	1.1
80.96524	2.3
85.02965	2.5
89.01302	0.5
90.97160	1.3
91.01923	0.4
95.01407	1.5
95.04999	0.5
96.04555	0.5
96.96022	2.1
98.22644	0.9
99.92595	1.4
108.02191	4.0
108.04555	1.0
111.00891	100.0
112.01231	3.5
121.02993	0.6
122.73143	0.4
122.94573	0.5
123.00946	1.9
123.04544	4.4
123.05444	0.6
124.04072	1.4
128.91379	0.4
134.51837	0.4
143.01997	0.5
152.01180	7.6
153.00652	0.9
166.97513	4.7
167.00290	0.7
167.02129	0.9
167.03490	4.2
168.03239	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86302	0.4
60.19443	0.5
64.01953	0.4
67.01897	12.0
69.18488	1.3
69.18881	0.9
74.26740	0.4
75.00892	0.5
77.01300	0.5
78.95914	1.1
79.95747	1.5
80.05052	0.9
80.96541	1.0
82.02982	0.5
83.05009	0.4
85.02960	2.0
90.97160	0.8
91.01904	0.6
93.03471	0.5
95.01411	2.5
95.05059	0.9
96.04567	0.4
96.96023	11.0
102.94431	0.5
108.02189	5.1
108.04598	0.5
110.93433	0.8
111.00897	100.0
112.01221	2.8
122.03731	0.5
122.06120	0.6
123.00881	2.2
123.04553	5.7
123.05441	0.9
123.08176	0.6
124.01559	1.7
124.04050	1.3
131.96605	0.5
152.01169	8.8
153.00612	0.5
166.97545	6.8
167.00020	0.9
167.02165	1.2
167.03416	4.6
168.03368	5.7
168.06664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	2,6-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
64.11375	0.5
67.01888	0.7
69.03454	0.6
70.74348	1.1
78.95921	0.8
80.02686	1.1
81.03475	3.6
91.01926	0.7
91.47900	0.5
91.55265	0.7
93.03467	12.2
95.01393	9.4
95.05038	9.4
96.25233	0.6
105.03490	1.3
108.02185	13.3
109.02979	9.6
110.03366	0.6
111.00896	1.1
121.02979	9.1
122.03777	8.2
123.00925	5.5
123.04543	100.0
124.01706	0.9
124.04870	4.5
125.02499	0.6
132.86804	0.9
136.01721	0.6
137.02452	5.0
139.04030	17.5
140.04332	1.1
149.02451	7.5
152.01181	17.0
152.02383	1.2
153.00575	0.8
153.01715	0.9
167.03520	75.2
168.03970	3.0
187.82251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.31846	0.3
62.34312	0.3
65.00318	1.0
69.13519	1.9
79.05524	0.3
80.02676	2.1
81.03465	0.5
91.01392	0.6
91.01906	6.6
92.02219	0.4
95.01396	0.4
96.96017	1.4
101.35741	0.3
108.02184	59.8
109.02517	2.3
111.00883	0.7
120.47302	0.4
121.32950	0.4
123.00946	0.6
123.04537	22.0
123.39126	0.3
124.01627	0.8
124.04873	1.0
149.02501	0.9
149.09721	0.6
151.31772	0.4
152.01169	100.0
153.01553	3.7
167.03516	20.0
168.03873	0.9
178.32698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	2,6-Dihydroxyphenylacetate
Peak:m/z	Relative Intensity
57.01273	0.7
60.41074	0.6
64.11428	0.7
70.23180	1.7
70.23538	1.6
78.95930	1.3
80.02684	2.2
80.29831	0.7
81.03462	2.9
91.01916	1.0
93.03471	9.6
95.01389	10.6
95.05037	9.7
96.04540	0.9
96.96023	1.1
105.03490	1.0
108.02184	49.8
108.04587	1.2
109.03001	8.3
111.00915	1.4
115.69831	0.8
121.02976	8.1
122.03782	7.9
123.00905	7.2
123.04536	100.0
124.01646	2.6
124.04838	4.9
132.86795	2.0
137.02458	3.2
139.03012	0.7
139.04021	15.8
149.02460	7.2
150.05663	0.8
152.01160	76.0
153.00552	1.4
153.01610	1.7
166.83333	2.1
167.03508	76.3
168.03844	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1078
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
76.80636	1.0
91.62970	1.0
92.02560	2.2
92.66896	1.0
95.01406	6.0
96.00936	1.1
96.04565	2.2
97.02986	1.2
108.02175	14.6
111.04501	1.2
123.00919	5.6
123.04551	9.0
124.04086	1.0
124.98457	12.3
125.02419	1.2
125.03563	1.3
125.76326	1.0
126.01984	1.3
129.35147	1.0
139.04082	1.3
140.02510	1.2
141.02060	1.0
152.01167	28.0
153.00671	11.9
153.01723	1.5
166.83296	1.4
166.99585	2.4
167.03523	12.2
167.10788	100.0
168.03087	3.8
168.11211	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	167.1079
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
51.88719	4.7
55.83406	4.6
56.14005	4.6
58.21153	4.4
61.98829	5.1
63.38006	4.7
65.03397	4.0
66.89403	4.2
69.03442	4.1
69.77645	4.2
71.18405	4.0
72.69879	4.1
95.01399	20.3
96.04573	6.1
98.21870	9.7
99.13810	4.8
108.02178	42.5
123.00932	22.9
123.04564	28.5
124.01592	7.0
124.98431	54.3
130.16826	5.6
132.86794	26.7
140.02512	5.5
152.01183	97.1
153.00697	48.8
166.83351	18.4
166.99529	11.8
167.03510	54.1
167.07278	7.7
167.10788	100.0
167.87202	4.8
168.03082	15.5
170.87503	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	168.0304
Annotation	2-Methoxy-4-nitrophenol
Peak:m/z	Relative Intensity
57.25502	0.5
61.48379	0.5
70.97137	0.8
71.72413	0.5
74.02142	0.5
79.11809	0.5
92.02685	0.8
96.04604	0.7
108.02186	50.1
109.02505	2.1
122.02517	4.4
123.00915	0.7
125.02458	1.2
125.09677	0.7
138.01987	99.8
139.02315	3.6
140.03539	0.6
149.38521	0.5
153.00691	2.1
166.01472	89.8
167.01836	3.9
168.03035	100.0
169.03398	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	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33472	0.8
54.03786	0.8
58.02980	100.0
60.84006	0.8
61.38783	0.7
61.98874	1.0
66.14265	0.8
76.16066	0.9
81.03458	1.1
82.95423	1.1
95.01410	1.1
96.04588	2.3
97.02937	1.3
123.00897	4.3
125.02460	7.7
125.09761	1.0
132.86804	14.3
153.00671	19.9
167.87129	1.4
168.03108	4.3
168.13837	7.3
169.01398	2.5
169.14301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0462
Annotation	Cetoniacytone B
Peak:m/z	Relative Intensity
50.68403	0.5
51.27436	0.5
59.01382	1.9
59.20898	0.4
65.99844	0.8
66.03493	1.0
69.03474	1.6
70.03000	0.7
71.01398	1.2
71.39316	0.5
76.97002	0.5
78.95914	1.7
81.03467	0.8
84.04557	2.7
85.02961	0.5
94.02996	5.9
95.01379	0.8
95.03856	0.5
96.00908	2.8
96.04585	1.3
97.01685	1.9
97.02989	2.5
97.03536	0.7
98.02489	1.0
98.06125	0.6
99.00896	0.6
109.02980	1.9
110.02491	10.0
111.00874	0.9
112.04066	9.4
122.02457	4.8
124.04050	4.2
125.01201	31.7
125.09696	0.5
126.01543	1.1
127.11289	1.0
128.03580	1.1
128.90080	4.6
134.04767	4.1
134.11836	0.5
138.01988	22.3
139.02782	10.7
140.03552	100.0
141.03897	3.5
141.99976	0.7
149.22260	0.5
151.98851	4.8
152.03558	3.3
152.98570	1.7
153.09398	0.5
153.96796	1.6
168.03056	1.8
170.04605	65.8
170.83392	0.9
170.88318	1.1
170.91203	1.1
171.01978	4.5
171.05002	2.6
171.06291	0.6
171.10291	7.4
171.13905	2.2
183.15842	0.5
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	9-Oxononanoic acid
Peak:m/z	Relative Intensity
59.01371	3.7
61.98828	3.5
68.99831	1.5
69.46843	2.4
69.47240	1.9
81.04641	1.3
83.79985	1.1
84.37865	1.2
89.02464	3.3
92.97579	1.0
93.49915	1.1
99.00900	5.5
99.08179	1.8
99.92605	10.6
117.00399	1.4
120.73137	1.2
125.09750	4.0
127.07665	11.5
127.11300	10.0
128.90117	2.3
130.08766	4.4
134.86563	8.4
136.86304	7.1
143.10793	1.7
144.04517	1.7
153.09172	2.0
158.40372	1.0
170.83389	7.5
170.88400	4.2
171.02013	31.4
171.03375	2.4
171.10291	100.0
171.13921	5.7
171.83229	1.9
171.91086	2.0
172.10632	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	172.0982
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
52.49592	0.2
54.88661	0.2
58.02983	1.5
59.01379	0.2
67.01894	0.4
69.24564	1.4
71.01395	0.6
77.99229	0.2
78.80014	0.2
82.06654	0.8
85.02985	0.7
93.03469	2.0
98.21890	0.5
111.00953	0.4
111.08147	0.4
127.07681	0.4
128.10831	2.5
130.08754	100.0
131.09102	3.4
144.04575	1.0
145.03000	0.4
145.31833	0.2
158.03714	0.5
172.09801	10.6
173.02533	0.4
173.04575	1.4
173.08247	0.3
173.10170	0.4
185.30208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00317	1.5
54.57398	0.7
55.01882	2.1
59.01381	4.9
67.01905	2.0
68.99838	1.1
70.60783	1.1
71.01388	34.3
72.99306	2.0
73.02969	2.2
83.01399	4.8
83.94079	0.8
85.02959	100.0
86.03306	3.4
87.00885	3.4
96.99320	1.1
99.00893	12.0
111.00897	11.7
111.04511	1.1
112.98820	42.1
113.99228	1.0
115.00395	3.2
124.98800	8.8
129.01959	13.0
140.98358	2.0
142.99876	38.5
144.00269	1.0
154.34265	0.9
173.00919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00299	3.2
55.01876	6.4
57.03448	5.0
59.01386	10.4
67.01878	2.1
68.99829	2.5
69.64270	1.6
70.59722	2.7
71.01387	100.0
72.01669	1.8
72.99307	6.1
73.02940	5.4
83.01392	12.1
85.02457	3.2
85.02957	43.3
87.00887	6.5
96.99309	4.7
99.00890	39.9
109.49030	1.7
111.00898	10.5
111.04588	1.6
112.98821	71.3
115.00358	4.8
124.98817	20.8
129.01958	4.5
129.05611	2.1
131.67046	1.8
140.98264	2.4
142.99878	54.8
144.00169	2.7
172.96762	1.8
173.00891	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	173.0093
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00304	4.0
55.01872	4.8
57.03434	2.4
59.01382	7.8
63.67245	1.1
64.87485	1.2
66.21722	1.2
67.01881	2.3
68.99823	2.4
70.37126	2.5
71.01390	64.3
72.99300	4.0
73.02953	3.1
79.47565	1.0
80.99805	1.2
83.01386	6.5
84.81225	1.1
85.02953	25.8
87.00896	7.8
90.39848	1.4
96.99311	5.2
99.00895	23.0
101.02462	1.0
104.43736	0.9
111.00902	5.9
111.04566	1.8
112.98819	42.2
115.00377	5.0
124.98817	26.6
125.99125	1.3
129.01944	3.2
137.01260	1.1
140.98332	3.7
142.99878	100.0
144.00165	2.6
155.03445	1.5
156.24368	1.3
173.00929	3.7
173.04654	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	175.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80875	0.6
55.40685	0.7
59.01391	7.3
59.46028	0.7
68.99820	1.3
71.01385	1.4
71.13858	0.6
76.36008	0.8
79.94970	0.9
87.00889	2.1
91.05539	5.2
93.03474	2.1
95.05077	1.5
101.03989	3.7
103.05566	3.8
105.03458	1.7
115.00378	1.9
115.04039	2.1
117.03471	1.0
119.05037	52.9
120.05377	2.7
121.03031	1.1
129.03479	17.6
130.04247	8.8
131.05052	5.0
132.02177	2.5
132.98204	1.3
133.02971	2.6
145.02986	5.9
146.03757	20.8
147.04535	100.0
148.01715	1.8
148.03862	1.1
148.04951	4.7
155.40331	0.7
157.03011	2.4
158.03735	8.5
160.01669	5.0
173.02443	3.8
174.03238	21.0
174.04686	1.6
175.04015	70.1
176.01178	3.3
176.03569	4.6
176.04752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03453	0.6
58.09020	0.4
58.35037	0.4
59.01383	6.3
71.05031	0.5
71.19395	0.7
85.06597	45.9
86.06944	1.2
87.00883	0.5
87.04543	0.8
93.84991	0.5
102.54974	0.4
113.06098	39.9
114.06447	1.3
115.04021	100.0
116.04356	2.8
119.05033	1.3
119.28063	0.4
120.54187	0.4
129.03453	0.4
129.05566	1.2
129.09248	0.4
131.07155	8.2
132.98195	0.9
138.66643	0.5
142.62202	0.5
143.96469	0.5
145.92007	0.5
147.04523	2.5
157.05067	7.9
175.03876	1.3
175.06129	43.7
176.03410	0.7
176.06456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0977
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
59.01394	7.0
65.48582	0.8
69.03471	1.4
71.01379	1.6
85.02959	13.7
85.06599	39.9
85.07120	2.0
87.00890	2.1
95.05032	0.9
101.06081	15.5
103.87489	1.0
113.06099	71.5
114.06418	2.5
115.00375	1.3
115.07698	1.0
119.05058	1.8
129.05586	22.9
129.09239	5.8
131.07155	51.6
132.07521	1.6
132.98199	1.1
146.03722	3.8
147.04558	4.2
148.04079	1.2
175.03999	3.2
175.07516	2.6
175.09770	100.0
176.03601	1.8
176.10127	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	176.0718
Annotation	Streptazone A
Peak:m/z	Relative Intensity
56.46498	0.2
59.01387	2.9
60.01722	1.8
61.01795	0.3
71.01384	0.4
75.00890	0.3
77.03976	0.3
87.00835	0.3
87.04547	0.3
89.04015	0.3
92.05073	0.3
93.03456	0.8
95.05025	0.4
101.02460	0.8
104.05106	0.4
105.03492	0.8
107.05032	0.2
109.02988	0.5
120.04546	0.7
121.02979	1.8
123.04551	0.3
132.04523	0.3
132.98247	0.6
133.01649	0.3
133.01947	0.3
133.02979	2.7
133.98561	0.7
134.02480	1.9
134.03667	0.4
135.04529	2.5
136.04848	0.3
146.02431	0.3
146.06212	0.3
147.03271	0.2
148.04053	9.0
148.05225	0.5
149.02426	0.5
149.04385	0.5
149.06084	6.3
149.07234	0.4
150.06528	0.3
154.36365	0.2
158.08130	0.3
159.04488	1.7
160.04034	5.5
160.05305	0.3
161.04842	11.4
162.03227	1.3
162.05186	0.6
174.05620	3.0
175.02815	0.4
175.06332	0.4
176.03604	15.5
176.07176	100.0
177.02052	1.3
177.03911	0.9
177.05745	0.4
177.07545	6.1
177.09079	0.3
179.03511	0.8
193.03862	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
60.28438	0.3
66.36767	0.3
70.72794	0.5
77.03978	2.2
80.78556	0.3
81.03461	2.4
89.03983	8.0
93.03474	1.4
95.05042	2.4
96.61965	0.3
105.03472	19.5
106.03837	0.6
107.01392	0.8
115.04008	0.4
121.02985	1.3
123.04565	1.0
133.02971	40.3
134.03342	1.3
139.04070	0.7
149.02448	4.6
149.06119	0.7
159.02921	0.4
162.03204	0.7
177.01945	100.0
178.02286	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	177.0194
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
51.02369	0.5
52.08017	0.4
57.03454	0.5
59.01371	0.4
63.66796	0.5
65.00336	0.7
69.03460	0.6
70.73508	0.6
72.99321	0.8
74.32561	0.6
77.03973	9.5
81.03454	0.5
85.53064	0.4
89.03968	3.9
92.71873	0.4
93.03472	0.9
95.05032	14.2
96.05354	0.9
97.02946	1.1
105.03467	43.7
105.21765	0.5
106.03799	1.1
113.02454	0.9
115.04023	2.0
117.43285	0.5
121.02954	1.4
123.04526	4.3
132.02174	2.1
133.02965	100.0
134.03831	7.8
135.04462	0.5
137.02385	0.7
139.04001	0.6
141.01930	1.9
148.05315	1.5
149.02444	1.9
149.06093	3.8
159.02995	6.3
162.03227	1.0
177.01941	21.8
177.05580	1.2
178.02481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0195
Annotation	6,7-Dihydroxycoumarin 
Peak:m/z	Relative Intensity
55.68964	0.2
57.51245	0.2
57.83289	0.2
59.01367	0.2
60.52208	0.2
69.23473	0.7
69.23882	0.7
77.03973	0.8
78.21763	0.2
79.01875	0.2
81.03458	2.8
89.03976	9.2
90.04295	0.3
90.55853	0.2
93.03478	1.6
95.05028	1.8
95.14772	0.2
98.21886	0.4
105.03471	16.0
106.03809	0.4
107.01395	0.6
109.02956	0.6
111.59290	0.2
121.02976	0.9
133.02971	28.4
134.03409	1.1
134.62799	0.3
139.04021	0.7
149.02475	4.4
149.06052	0.4
162.03256	1.1
163.02654	0.3
177.01944	100.0
178.00922	0.4
178.02313	5.4
178.05110	1.1
178.08708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34953	0.3
59.01386	0.4
64.60776	0.3
65.99844	2.0
68.96242	0.3
69.78537	1.2
77.03980	0.5
93.03448	0.6
95.05037	1.3
103.00632	1.4
105.03472	3.1
113.41811	0.3
120.00929	1.1
121.01711	3.9
121.02975	1.3
122.03313	0.7
125.99635	0.7
132.04581	0.8
133.02979	5.8
134.02493	1.1
134.03493	0.3
136.00424	1.2
148.00470	0.4
148.04076	2.1
149.01218	13.9
149.02422	1.2
149.04382	5.1
149.06119	0.4
150.02022	8.1
150.03215	1.1
150.04457	0.4
151.99857	0.6
162.01994	3.2
162.03268	0.9
163.99898	0.6
165.00679	1.1
167.18294	0.3
175.02716	1.3
176.03546	71.8
177.04315	100.0
178.04709	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	177.0558
Annotation	(R)-(-)-Mellein
Peak:m/z	Relative Intensity
59.01393	5.9
62.04889	1.0
69.19307	6.5
72.99302	1.2
74.07481	1.0
77.03960	5.9
85.02955	1.9
89.03973	3.7
91.05547	3.6
93.03471	5.1
95.05039	11.2
97.03008	1.2
97.30962	1.0
99.00864	1.4
99.21294	1.1
105.03471	36.3
107.05053	10.5
108.02180	2.4
108.73849	1.1
109.02956	1.4
113.02473	1.7
115.05534	2.5
117.03476	11.6
119.05017	3.1
121.02953	5.8
122.03756	1.1
123.04539	7.1
131.05043	15.5
132.02209	3.2
132.05795	2.1
133.02972	97.2
133.06607	81.0
133.07652	2.1
134.03802	13.8
134.06981	3.1
135.04535	10.0
136.04866	2.2
141.01944	1.8
147.04520	3.9
148.04045	4.9
148.05232	2.3
148.52179	1.0
149.02452	2.9
149.06099	18.0
150.03186	2.7
152.99402	1.1
159.03012	3.5
159.04446	2.2
161.02464	1.3
162.03230	8.7
177.02003	17.4
177.05576	100.0
178.04936	2.9
178.06105	2.3
178.08679	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77283	0.2
53.60681	0.2
59.01382	1.2
61.98839	0.3
69.25095	0.3
69.25495	0.6
70.06384	0.2
78.95913	5.9
79.95718	0.3
87.00903	0.8
91.06165	0.2
110.97615	0.2
119.93740	3.4
134.96106	24.4
135.04501	0.3
135.96161	1.2
136.94025	100.0
137.94092	6.8
138.94449	0.2
151.92740	11.6
152.92812	0.7
154.95105	0.5
161.04578	0.5
178.95071	48.0
179.05577	0.5
179.95184	3.5
186.18390	0.2
196.96138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	trans-2,3-Dihydroxycinnamate
Peak:m/z	Relative Intensity
54.72181	0.5
54.97385	0.5
59.01382	5.7
68.48629	0.6
69.00088	0.6
71.01394	2.5
75.00896	0.5
85.02953	0.8
85.42902	0.6
87.00893	2.3
89.02461	1.1
91.05542	50.4
92.05881	2.3
97.76556	0.6
108.02187	5.0
109.02961	37.4
110.03278	1.1
123.00921	0.7
124.01685	1.0
135.04536	100.0
136.01649	1.2
136.04886	3.8
161.04599	1.6
178.04152	0.6
179.00006	0.8
179.03510	28.0
179.05501	1.6
180.03946	0.8
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	CHEBI:69195
Peak:m/z	Relative Intensity
50.03467	0.2
54.96122	0.2
65.12054	0.3
68.56476	0.2
69.27451	1.2
71.01362	0.3
83.01376	0.3
91.01875	0.3
98.21871	0.5
108.02179	14.4
109.02960	100.0
110.03295	3.2
111.00880	1.3
123.00877	2.1
123.23927	0.2
124.01665	2.3
131.06223	0.2
135.04465	0.3
136.01662	2.6
137.02495	0.4
139.00415	0.4
157.97392	0.3
179.03508	46.6
180.03810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	trans-2,3-Dihydroxycinnamate
Peak:m/z	Relative Intensity
50.35104	0.4
55.87916	0.4
57.07388	0.4
59.01377	1.0
63.67508	0.4
69.26109	1.5
69.26516	1.0
76.90844	0.4
83.01386	0.4
85.02969	0.6
87.00934	1.0
95.01375	0.4
95.47601	0.4
98.22621	0.9
108.02184	14.4
109.02962	100.0
110.03297	3.1
111.00890	1.3
123.00895	2.2
124.01724	2.9
135.04546	3.7
136.01674	2.3
137.97737	0.4
179.03510	49.9
180.03911	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	179.0351
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
57.03449	0.9
59.01384	12.1
61.87754	0.5
69.03471	0.8
71.01396	5.1
71.41850	0.6
73.02957	0.7
75.00887	0.6
81.03471	0.7
83.01402	1.4
85.02965	2.0
87.00880	5.7
87.77730	0.5
89.02451	2.2
91.05543	21.3
92.05882	0.7
93.03471	2.2
94.02988	0.7
95.01414	0.9
97.02996	0.5
99.00898	2.0
101.02460	0.9
107.01386	0.6
107.05038	1.4
108.02185	12.4
109.02967	100.0
110.02599	0.6
110.03314	2.3
111.00883	2.2
117.01939	0.8
118.99341	1.4
121.02962	1.6
123.00897	3.1
123.04514	0.9
124.01702	3.1
125.02453	0.7
134.03777	1.2
135.04544	48.2
135.08183	1.0
136.01678	2.1
136.04880	2.1
136.07735	0.8
137.02451	1.6
139.00352	0.8
145.86072	0.6
146.02531	0.8
149.02461	0.9
151.04004	1.6
151.07739	0.7
159.08051	0.5
161.04585	3.2
161.05821	0.6
164.01216	1.3
164.04848	0.6
165.01935	1.1
177.05760	0.5
178.01508	1.4
179.00169	1.2
179.03520	57.5
179.05501	3.2
179.07140	4.3
179.10876	0.6
180.03873	2.2
180.06548	0.7
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	2-Deoxy-D-gluconate
Peak:m/z	Relative Intensity
52.14439	1.6
57.03463	1.8
58.00586	1.9
59.01385	100.0
60.01762	1.9
69.65048	6.2
71.01387	48.5
72.00925	12.4
72.91494	1.6
72.99332	2.9
73.02964	3.8
75.00907	3.6
78.95941	2.2
79.95766	1.7
80.96526	9.3
83.01386	2.3
85.02965	12.2
87.00881	16.4
89.02450	19.2
91.36045	1.8
93.03477	7.6
94.02989	6.2
95.01405	2.9
99.00887	6.5
101.02473	8.5
107.05024	2.2
108.04554	3.0
111.63174	1.6
113.02448	7.1
117.01994	3.5
119.03509	2.4
119.05033	23.7
125.02448	2.8
134.06140	5.0
135.04536	21.5
136.07712	8.3
141.01930	1.7
150.94809	3.0
161.04530	12.9
163.04027	26.1
179.00217	4.7
179.02100	4.2
179.03484	3.8
179.05672	14.9
180.06674	26.0
190.59192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0564
Annotation	Scyllo-inositol
Peak:m/z	Relative Intensity
53.59220	0.5
55.01889	0.8
57.03457	1.0
58.00601	2.0
59.01388	100.0
60.01707	0.7
61.98847	2.6
69.03477	0.7
69.45989	1.9
71.01391	71.7
71.05030	0.7
72.01727	0.8
72.39397	0.4
72.99321	4.5
73.02951	5.3
75.00883	41.1
81.03468	2.0
83.01395	1.2
84.25739	0.4
85.02956	6.9
87.00893	6.3
89.02458	30.4
95.01408	2.2
97.02967	0.5
99.00904	3.7
99.04536	0.7
101.02464	3.6
105.01962	3.0
108.93746	0.8
113.02476	4.9
117.01983	0.7
125.02456	1.4
135.25372	0.4
137.52197	0.5
143.03543	3.5
161.04602	5.1
179.05641	23.4
180.05969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0509
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
55.01862	1.5
55.07291	0.6
57.03443	1.7
58.00591	1.1
59.01384	53.4
60.01707	0.7
65.00328	0.9
65.03963	0.7
68.99828	0.8
69.03456	1.8
69.07566	2.5
69.07992	2.5
71.01389	64.5
72.01737	1.2
72.99305	0.8
73.02952	22.7
81.03468	2.4
83.01379	4.6
85.02965	9.5
87.00897	1.5
89.02452	34.8
91.04025	1.0
93.03468	56.1
94.03806	1.0
95.01405	2.5
95.05056	1.0
97.02947	3.6
98.00127	0.8
99.00917	1.4
99.06234	0.6
101.02451	42.8
102.02776	1.2
103.04069	0.8
107.05041	1.9
108.02194	4.3
109.02964	39.8
110.03323	1.2
113.02462	6.1
115.04021	1.8
117.03473	4.2
119.01471	0.6
119.03540	5.5
119.05080	0.6
121.02946	1.5
121.05085	0.9
122.03743	1.8
123.00945	3.0
123.04529	0.8
124.01662	1.9
125.02531	0.7
131.03510	2.4
134.03749	2.2
135.04538	82.2
136.01691	3.8
136.04842	3.4
137.02458	54.0
137.06088	19.7
137.07152	1.4
138.02864	1.7
138.06433	0.8
138.30582	0.6
139.04076	1.5
145.02959	10.7
148.01743	0.8
151.00381	5.9
151.03983	0.7
153.01964	1.8
153.05582	3.0
163.04021	42.8
163.06017	4.9
164.04413	2.0
166.02721	8.8
180.84198	0.6
181.01680	6.1
181.05093	100.0
181.07187	47.1
182.05406	3.6
182.07541	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	181.0509
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
51.34296	0.6
55.01884	1.5
56.84614	0.6
57.03469	1.0
59.01387	40.5
69.03458	1.1
69.26776	3.6
71.01388	44.1
72.01721	1.0
72.99290	1.2
73.02953	15.5
81.03484	1.2
83.01396	4.0
85.02963	7.3
87.00881	0.8
89.02456	28.6
91.05589	0.8
93.03467	74.4
94.03799	1.5
95.01395	1.7
97.02956	2.5
101.02458	28.9
102.02797	0.7
107.05051	1.7
108.02188	4.6
108.98321	0.6
109.02969	36.8
109.06640	1.6
110.03320	0.9
113.02462	4.2
115.04018	1.0
117.03452	3.7
119.03510	4.2
121.03000	1.3
121.05116	0.6
122.03746	1.7
123.00894	1.7
123.04527	0.7
124.01653	1.4
131.03525	1.4
134.03786	2.9
135.04541	76.3
136.01707	3.4
136.04858	2.9
137.02461	62.7
137.06099	18.3
137.07133	1.1
138.02837	1.4
139.04036	0.9
143.03551	0.7
145.03000	10.0
149.04477	0.7
151.00369	3.0
153.05623	3.5
161.04521	1.1
162.03290	0.6
163.04030	38.2
163.06009	2.9
164.04370	1.5
166.02731	6.4
181.01672	5.9
181.05096	100.0
181.07185	36.2
182.01920	0.6
182.05418	4.6
182.07452	1.0
194.21268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10873	0.3
51.87690	0.3
53.30107	0.3
59.01389	0.7
69.47042	0.9
71.01381	0.3
81.03459	0.8
93.03465	1.5
94.03035	0.4
95.01392	0.9
95.05023	2.2
98.22658	0.6
102.02780	0.3
105.03462	0.3
108.02189	1.0
109.02990	0.4
121.02976	0.6
122.03764	3.8
123.04534	100.0
124.04868	3.5
125.54182	0.3
131.03790	0.4
134.02522	1.4
138.05643	0.4
149.04843	0.6
150.05617	75.9
151.05978	3.0
163.50737	0.3
174.31058	0.3
176.55637	0.3
180.18892	0.3
182.00909	0.3
182.08360	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1028
Annotation	10-Oxo-8E-decenoic acid
Peak:m/z	Relative Intensity
51.48420	0.7
57.03448	1.0
59.01381	4.0
65.00307	0.7
69.03454	3.1
71.01380	1.8
73.72472	0.7
83.05020	2.3
94.73657	0.8
98.21872	1.9
109.06563	1.9
111.00881	1.1
111.08182	1.8
123.00853	1.2
127.07687	1.5
137.09706	2.8
139.07690	3.8
139.11299	16.4
140.07242	0.8
153.00676	0.9
155.10789	22.1
156.11188	1.0
165.02042	1.3
165.09210	3.3
167.99397	2.7
183.00494	3.9
183.10278	100.0
184.10643	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	183.1028
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
59.01391	0.8
59.11924	0.5
62.26508	0.6
71.01382	0.7
90.03821	0.7
106.21506	0.6
109.06589	0.7
111.08186	1.4
112.04030	0.8
123.08148	1.7
124.04057	0.7
137.09738	4.6
139.11316	39.9
140.11641	1.9
147.32776	0.5
157.12360	3.7
168.00768	0.6
183.10286	100.0
184.10669	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
51.92182	0.3
62.11142	0.4
62.58244	0.3
72.02169	0.3
134.51469	0.4
158.37495	0.4
164.21150	0.3
183.13918	100.0
184.14270	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91322	5.4
59.01387	21.0
70.81141	6.1
80.20100	6.1
140.02032	42.8
141.99973	12.7
184.01044	100.0
185.01202	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	185.1184
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
50.49111	0.7
54.69059	0.6
59.01377	2.3
69.51506	0.5
71.01385	1.3
80.71619	0.5
83.05016	0.8
89.01583	0.7
97.02955	1.1
97.06569	0.8
98.22603	1.7
123.08195	1.0
125.09711	0.9
139.11314	2.2
141.09233	1.8
141.12868	0.8
149.09720	1.8
149.68398	0.6
155.10791	15.4
156.11165	1.1
167.10791	27.6
168.11140	1.4
183.10275	1.3
185.00949	3.1
185.08263	2.2
185.11841	100.0
186.12195	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	185.1184
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
59.01386	100.0
60.01723	1.1
69.03462	0.4
69.22426	2.5
69.24546	0.4
85.02959	0.4
98.22643	0.7
114.09270	0.4
123.04640	0.4
141.09280	1.6
149.34970	0.4
185.08255	0.6
185.11852	13.0
185.15465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.025
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
56.08170	0.3
58.00595	1.7
59.01379	1.7
59.10923	0.3
65.00320	0.4
67.01894	17.1
68.99818	0.5
70.35598	0.3
71.01387	0.6
71.05008	0.6
71.41560	0.4
73.02953	12.4
81.03457	1.7
83.01378	1.5
84.02172	0.3
85.02964	1.7
87.83325	0.3
90.97157	1.5
92.96005	0.6
97.02939	0.3
98.02472	0.6
99.00869	2.4
99.04527	10.4
102.05614	0.5
110.93462	1.3
111.00889	100.0
112.01204	2.6
115.04006	1.6
116.03565	0.4
116.07175	0.5
125.01003	0.4
125.02442	0.8
125.09741	1.1
127.00371	0.7
129.01941	0.6
132.98218	1.4
143.03494	9.9
143.07173	0.8
154.94768	0.6
154.99870	1.1
160.98732	0.4
169.05063	0.7
175.05376	0.3
186.96567	1.4
187.02560	1.0
187.06158	0.6
187.07741	0.6
187.10988	0.5
188.05641	0.4
204.94020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.54200	0.2
51.11110	0.3
53.35832	0.2
57.03455	4.3
59.01370	0.4
60.93634	0.2
69.03458	0.5
69.27376	1.3
69.27773	0.5
71.05028	0.4
72.84707	0.3
83.05045	0.7
95.05030	1.0
97.06602	12.8
109.86168	0.3
117.56245	0.2
123.08186	6.2
125.09737	100.0
126.10067	4.0
143.10783	1.9
168.35106	0.2
169.08711	1.8
187.09773	39.0
188.10170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
55.60188	0.1
59.01381	0.4
65.71400	0.1
65.99847	0.2
69.31071	0.8
102.03494	0.6
103.78044	0.1
116.05096	0.3
127.07629	0.2
141.86852	0.4
144.04565	100.0
145.04915	4.6
159.03258	0.3
160.04115	0.3
188.03531	3.1
189.01912	0.3
189.05482	0.3
191.27953	0.2
196.67105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.077
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03459	1.5
59.01382	2.7
69.30085	0.9
69.30486	1.2
71.05025	1.7
71.09917	0.4
83.05018	0.5
85.06603	1.0
91.21763	0.4
99.08166	29.7
100.08518	0.7
101.06115	0.7
108.63550	0.4
127.07669	29.1
128.08023	0.9
129.05594	100.0
130.05954	2.8
145.08734	5.6
147.38185	0.4
149.81754	0.4
157.71021	0.4
161.02391	0.4
171.06638	5.5
189.07703	34.9
190.08028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0924
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
58.66820	0.4
68.03493	0.4
69.37949	2.1
71.05043	0.4
87.04531	6.7
91.05549	17.9
92.05857	0.4
101.03978	1.3
104.56084	0.4
117.03480	24.9
118.03798	0.8
119.05048	3.0
120.04525	0.4
135.04512	0.8
143.08653	0.6
146.02652	0.5
146.03761	1.2
149.70335	0.4
161.09741	4.9
169.09930	0.4
171.08189	0.7
184.66017	0.4
189.09227	100.0
190.09579	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	191.0199
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
55.01876	1.0
56.76819	0.5
57.03453	8.9
59.01381	8.4
64.83192	0.5
67.01896	4.7
69.03454	0.5
71.01386	16.4
72.99325	2.9
73.02945	3.2
75.00878	0.6
82.92631	0.5
83.01389	3.4
83.05033	0.6
85.02955	38.0
86.03281	1.1
87.00882	53.0
88.01197	0.6
89.02441	0.6
93.03471	1.9
95.25112	0.4
99.00887	12.5
101.02449	2.0
107.39552	0.4
111.00892	100.0
112.01256	2.0
112.98824	29.4
113.02440	0.7
113.99108	0.5
115.00369	1.4
117.01972	0.9
127.04035	0.9
129.01964	5.6
129.05527	1.0
130.99901	1.0
131.03513	0.5
142.99829	1.5
147.03032	1.0
154.99861	1.7
173.00945	2.8
173.04564	0.7
191.02028	8.6
191.05624	19.7
192.05968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
55.01887	2.5
57.03452	10.7
59.01386	17.7
67.01902	5.8
68.99819	1.5
69.57655	2.9
69.58056	1.6
71.01390	45.0
72.01762	0.9
72.99323	2.8
73.02956	7.4
83.01387	11.3
85.02957	34.6
87.00886	54.3
93.03443	1.8
98.22595	1.3
99.00891	39.7
99.01543	2.0
100.01203	1.4
101.02464	4.0
111.00896	95.9
112.01244	2.2
112.98824	100.0
113.99165	2.6
115.00381	5.0
127.04028	1.4
129.01953	7.2
142.99857	3.1
148.95055	1.1
154.99899	2.0
173.00903	1.4
191.02036	8.6
191.03685	1.6
191.05611	27.0
191.10831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
55.66843	0.3
59.22096	0.3
63.69869	0.2
67.09895	0.3
69.05837	0.2
69.18166	0.2
69.37847	0.5
69.38251	0.8
73.03020	0.2
77.03985	0.4
79.43132	0.2
85.02959	0.8
87.00850	0.4
93.03459	0.5
111.00845	0.6
118.99329	0.3
119.05029	1.3
121.02967	100.0
122.03312	2.7
147.04527	5.7
191.03539	5.3
191.05620	2.6
212.32523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03439	0.7
59.01389	3.5
63.48135	0.3
66.15998	0.3
67.01879	1.2
69.03451	0.7
69.55128	1.3
71.01385	2.6
73.02947	1.0
81.03458	1.2
82.27242	0.3
83.01376	0.4
83.05029	1.0
85.02959	23.2
86.03281	0.4
87.00885	5.3
93.03469	8.3
94.03838	0.4
96.02141	0.3
97.02943	0.3
99.04531	0.7
106.17699	0.3
109.02973	1.9
111.00868	0.8
111.04551	2.2
113.02492	0.3
127.04024	4.7
133.01709	0.5
137.02440	0.4
137.85780	0.3
153.01894	0.4
171.03026	1.5
173.04613	1.8
177.00615	0.5
191.05630	100.0
192.05995	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	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03445	0.9
59.01377	3.4
67.01888	1.0
67.14078	0.2
69.03454	0.8
71.01384	1.6
73.02946	1.1
81.03458	1.0
82.74517	0.3
83.05050	1.3
85.02954	25.1
87.00877	5.6
93.03462	8.0
96.02184	0.3
98.22678	0.6
99.04504	1.0
104.17820	0.3
109.02964	2.3
111.00887	0.8
111.04536	3.0
118.46935	0.3
125.02448	0.3
127.04024	4.8
137.02434	0.7
137.93097	0.3
140.90515	0.2
155.03429	0.4
171.03026	1.4
173.04556	2.5
176.07874	0.3
191.05618	100.0
192.05952	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	192.9587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05829	2.2
58.94835	1.9
59.01387	26.3
69.03428	2.1
71.01373	8.3
73.02956	3.3
80.96513	2.3
83.01398	2.3
85.02953	5.3
94.02960	2.2
95.01406	2.0
101.02458	8.0
108.02139	2.1
108.93784	9.8
110.93467	4.0
111.00916	2.0
113.64727	1.7
122.06104	2.2
123.04540	3.1
125.02499	2.3
134.03767	32.4
137.02429	5.4
138.92966	4.6
148.04005	2.6
149.01170	2.1
149.02393	2.6
149.06073	7.5
150.05582	4.0
150.94817	100.0
150.98840	2.4
161.04597	4.2
164.94519	24.8
166.96080	10.8
168.99925	6.8
176.03545	11.2
178.02753	16.7
192.94009	24.8
192.95871	52.5
193.05093	8.7
193.07143	7.8
211.00911	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75967	0.4
60.83130	0.4
61.97415	0.4
62.71369	0.4
64.58614	0.4
65.95768	0.4
71.24571	0.7
89.03989	1.0
106.04260	1.5
114.64771	0.4
117.03476	1.1
121.02975	1.3
133.02966	3.5
134.03758	100.0
135.04091	2.6
137.02455	6.6
139.04037	1.7
149.06099	13.4
149.54384	0.5
150.03265	0.9
150.06421	0.7
178.02734	42.7
179.03088	1.2
193.05072	14.4
194.05315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
59.01360	0.3
69.08516	2.7
77.68361	0.4
89.03968	3.7
98.21867	0.9
99.26548	0.4
106.04278	1.0
117.03471	6.5
118.03777	0.4
121.02972	1.0
133.02974	1.9
134.03757	100.0
135.04082	3.4
137.02448	3.3
139.04034	1.2
149.06120	8.4
150.03232	0.5
150.06458	0.6
171.49347	0.4
178.02733	22.4
179.03113	0.9
193.05075	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
63.94724	0.2
69.70045	0.2
75.04416	0.2
85.02962	0.2
89.03970	3.1
106.04218	0.9
117.03485	4.9
118.03835	0.2
133.02956	0.2
134.03751	100.0
135.04077	3.3
137.02437	0.5
149.06088	2.5
178.02725	3.1
193.03302	0.4
193.05067	5.4
194.05472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0301
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
59.33030	0.4
67.01897	1.3
69.53885	0.4
70.00594	0.6
83.01374	1.8
89.97245	0.4
95.01402	2.3
107.01408	4.8
108.02188	54.6
109.02511	1.6
111.00893	9.4
122.99993	0.7
123.00904	20.9
124.01684	21.6
135.00909	2.7
136.01678	13.1
137.02478	2.1
137.03365	0.4
139.00374	2.7
150.03210	1.2
152.01173	5.5
165.01944	0.7
165.05539	0.6
167.03519	6.2
195.03006	100.0
196.03377	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01384	5.0
61.98846	0.8
70.28937	1.5
70.74830	0.7
71.01345	0.7
74.71817	0.7
76.63500	0.6
83.05036	0.9
104.94717	0.5
109.92043	0.5
121.56467	0.6
122.28019	0.7
123.00906	1.1
135.00887	1.0
139.23172	0.7
150.03217	1.9
152.91783	3.3
152.94504	1.0
158.84665	1.1
160.84225	39.7
165.05553	1.3
167.90462	0.7
177.12860	3.9
180.04297	0.8
181.00145	1.4
194.90582	1.1
194.92841	2.1
195.13913	100.0
195.81104	9.8
196.14290	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.17775	0.3
55.70511	0.3
69.72698	1.1
98.21925	0.5
109.06599	4.5
111.07600	0.3
111.08187	3.7
116.32750	0.4
122.03737	0.4
125.09755	0.6
135.11778	0.6
138.06885	2.9
151.11287	0.5
152.91800	0.4
160.84232	14.4
161.37907	0.3
167.14421	6.9
168.14781	0.4
179.10771	4.7
180.11397	0.7
195.13916	100.0
195.81084	3.8
196.14282	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	196.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64203	0.5
59.71352	0.5
61.98835	5.2
65.99863	1.2
66.03513	0.7
69.29910	2.6
76.01936	0.8
81.03457	0.6
83.42950	0.5
94.03008	0.8
95.01366	2.5
105.02187	0.8
108.02171	1.0
109.02955	2.0
116.92870	0.9
121.01705	13.6
121.02961	1.5
122.02502	8.4
123.00889	7.5
123.03295	0.8
125.02471	0.7
132.00951	1.2
135.00880	1.0
136.01642	0.6
137.02458	8.7
138.03224	1.8
138.05695	0.8
149.01199	100.0
150.01553	2.8
153.02003	1.0
153.05615	1.7
158.84686	0.8
160.84232	47.9
161.84290	1.1
164.03537	6.5
165.00505	0.8
165.01941	17.6
166.01494	1.1
166.99863	6.0
175.58513	0.5
181.00290	3.4
181.03812	11.4
182.02251	12.4
195.81122	15.7
196.02524	1.9
196.06061	1.1
197.04599	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	197.0206
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.67793	0.4
61.98811	0.7
62.53516	0.3
64.01920	0.8
65.03960	1.6
65.99843	0.7
71.07449	0.6
72.99325	0.4
81.03460	0.8
88.01920	0.6
93.03465	1.1
95.01391	1.2
107.06149	0.7
109.02956	12.5
110.02517	0.5
112.01637	0.6
116.92851	1.0
121.02981	1.9
122.02513	0.6
123.00886	6.2
123.03277	2.5
126.90519	1.4
136.03862	0.4
137.02464	21.1
138.01959	1.7
138.03096	1.0
138.85898	0.4
140.03574	4.4
150.01974	4.3
151.02711	1.6
153.05585	0.7
153.12840	0.4
160.84239	14.1
161.84277	1.9
162.83932	33.1
166.01468	0.9
166.99979	3.8
167.02242	10.4
167.99416	5.5
180.01782	18.7
182.02228	7.9
182.03725	0.6
183.01712	5.0
185.81149	0.4
196.81082	0.6
197.02055	100.0
197.11768	1.9
197.80814	13.3
198.02350	3.5
198.04117	1.0
212.00861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57834	0.4
69.74601	1.1
78.01093	0.4
78.75049	0.3
81.03458	1.6
83.01395	0.4
93.03428	0.6
95.01404	1.2
96.87370	0.4
108.02172	4.5
109.02970	6.6
119.01402	0.5
121.02979	4.7
123.00893	5.7
124.01699	0.7
126.90520	0.6
127.00399	0.4
136.01671	3.2
137.02461	42.6
138.03201	1.1
153.01953	0.7
153.05595	2.6
153.09186	0.5
162.83963	0.4
165.01949	100.0
166.02286	2.9
166.99864	3.7
167.99307	2.0
178.99892	0.7
182.02249	7.0
183.01765	1.4
197.00900	0.7
197.04678	3.1
197.08141	0.4
198.04062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.77648	0.5
59.01382	1.4
63.67216	0.5
65.37408	0.5
68.99795	0.5
69.03451	2.6
69.46628	2.7
71.01385	0.7
72.99275	0.7
77.97225	0.5
81.24256	0.5
83.05023	1.0
84.74364	0.5
95.01382	1.8
98.12741	0.5
98.22605	0.7
112.01714	0.9
115.68863	0.5
121.02930	1.4
123.00900	5.5
125.09732	0.5
126.90536	1.1
138.03249	1.8
141.09160	0.8
151.11314	0.8
153.02032	0.6
153.05566	1.4
153.09218	1.9
153.12859	4.8
160.84277	1.5
162.83920	3.8
166.55321	0.5
166.99881	4.4
167.99384	7.3
169.12350	17.9
170.12769	1.3
179.10808	2.7
182.02219	9.2
183.01712	6.6
197.02092	0.8
197.04561	2.2
197.11845	100.0
197.71396	0.5
197.80812	1.1
198.04118	1.5
198.12256	4.5
218.09392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01381	0.5
69.14836	2.4
78.91893	2.7
83.05047	0.6
90.91100	0.4
95.96030	0.3
99.00908	0.5
137.09737	6.5
139.53723	0.4
142.52777	0.4
154.95473	0.4
155.10794	100.0
156.11118	3.7
159.85986	0.4
181.08748	1.2
198.94000	1.3
199.09789	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	199.1342
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
59.01381	1.7
83.05018	0.6
97.06652	0.5
99.00894	2.0
99.08153	1.0
101.88418	0.5
111.00868	1.1
127.00442	0.7
127.93179	4.0
139.93188	0.9
153.12767	0.6
154.95544	2.9
155.10783	1.4
162.83932	1.1
163.11244	0.7
164.83632	1.3
168.99701	0.8
169.12376	7.0
181.12375	23.4
182.12727	1.1
184.02048	0.6
197.11900	2.3
199.13425	100.0
199.80588	1.5
200.13780	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94743	0.3
59.01387	100.0
60.01709	0.3
61.36901	0.3
69.05078	2.4
102.85151	0.3
113.04586	0.5
128.13605	0.3
157.03574	5.5
159.01541	2.1
179.49840	0.3
201.02580	10.1
202.02882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61193	0.3
55.30700	0.2
59.01385	100.0
60.01719	0.6
68.57076	0.3
68.74405	0.3
69.79324	0.5
69.79687	0.7
82.06652	0.3
84.61428	0.3
85.02948	0.7
88.04048	4.8
98.23716	0.3
115.02513	0.4
115.08811	0.4
117.00478	0.3
121.90634	0.3
134.70433	0.3
144.98227	0.4
146.99791	0.4
157.03589	5.1
157.13470	0.9
158.99730	0.7
159.01535	3.0
172.97701	1.2
175.02795	0.7
201.00931	0.4
201.02571	10.3
201.12482	3.6
202.02730	0.6
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
52.51720	0.7
55.35719	0.6
57.03452	6.5
59.01386	28.0
70.56331	0.7
71.41414	0.6
99.92606	1.6
100.76064	0.7
105.78923	0.6
111.08170	5.4
127.91564	0.5
137.09769	2.4
139.11304	100.0
140.11678	3.5
141.73738	0.6
141.93283	2.8
157.03490	0.8
157.12337	1.9
159.01524	1.1
183.10280	41.0
184.10596	1.6
201.02505	2.4
201.11336	83.5
202.11632	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	203.0828
Annotation	Tryptophan
Peak:m/z	Relative Intensity
59.01380	2.5
69.18147	2.9
69.18549	1.7
72.00916	19.6
74.02479	41.6
108.11786	0.8
116.05073	100.0
117.05399	2.8
129.05844	1.2
130.06639	2.3
142.06627	30.6
159.09299	18.0
174.99261	1.6
178.90379	0.9
186.05603	3.0
203.08267	51.1
204.08519	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
69.19919	5.2
72.12692	0.8
78.28850	0.7
80.39586	0.8
87.91139	0.8
88.59544	0.7
99.08176	5.1
125.06106	1.0
141.09317	0.9
143.07086	3.0
165.18167	0.8
174.99232	3.1
175.04083	1.1
202.98741	0.9
203.03676	1.1
203.07172	1.1
203.09242	1.0
203.12869	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.4
57.03442	5.2
58.05312	1.7
59.01387	73.4
67.01894	3.8
68.99823	7.8
71.01389	71.0
71.06358	2.6
72.99313	30.4
73.02950	13.6
75.00880	29.4
83.01410	13.3
84.99317	2.0
85.02964	15.9
87.00890	31.2
89.02463	15.4
96.99309	5.0
99.00891	56.9
99.04512	3.8
101.02485	8.7
103.00383	5.3
110.93453	6.4
111.00156	3.2
111.00890	40.4
112.98822	100.0
115.00386	61.2
115.01035	1.2
116.00690	1.9
117.01960	10.8
124.98819	7.0
125.02435	6.5
127.00372	7.5
129.01929	15.8
133.02972	2.7
142.99872	19.2
145.01451	16.9
154.99908	11.4
157.01442	2.6
159.02980	1.8
173.00919	6.8
175.02473	4.9
178.96086	3.5
204.94037	13.2
205.03491	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
57.03439	4.1
59.01384	42.5
61.17430	0.9
67.01910	1.5
68.99815	4.8
69.69392	2.8
71.01389	34.7
72.99319	15.6
73.02949	6.8
75.00877	12.4
83.01399	11.7
84.99323	2.2
85.02940	2.2
85.05071	1.1
85.42813	0.9
87.00872	11.5
89.02444	11.7
96.99350	1.8
99.00886	47.4
100.98820	2.2
101.02453	3.1
103.00418	1.6
111.00891	13.1
112.98821	100.0
113.99159	1.6
115.00391	24.6
117.01942	6.8
123.33707	1.1
124.98846	2.8
127.00369	3.8
129.01970	5.1
133.01398	1.2
137.02483	6.0
142.99869	6.9
145.01457	11.4
154.08011	1.0
154.99962	2.2
173.00948	4.8
175.02550	1.2
205.03514	1.2
205.15952	1.4
223.46907	1.1
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	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02691	1.8
58.02980	36.3
59.80133	0.8
69.40412	3.0
69.40820	1.4
70.02979	11.5
70.57732	0.8
71.83162	0.8
72.00914	6.1
78.06761	0.7
91.05537	28.4
139.92308	0.9
147.04533	41.2
160.81319	0.7
164.07172	100.0
165.07516	2.8
178.05095	1.8
206.08228	33.4
206.10181	1.7
207.08527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0456
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01391	0.3
68.31930	0.3
69.09709	1.7
77.03996	0.3
85.02988	0.4
87.73730	0.3
89.96400	0.3
91.01907	1.0
92.02687	0.4
95.05034	0.2
97.77291	0.3
120.01307	0.5
120.02183	11.5
121.02969	100.0
122.03277	2.1
123.04478	0.3
133.02968	1.6
136.01680	0.5
137.06212	0.3
150.03194	0.5
165.01883	0.3
209.02660	0.6
209.04520	9.1
210.04869	0.4
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	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03437	3.2
59.01385	3.4
61.96692	1.2
61.98825	12.0
65.00327	1.4
67.81699	1.3
70.09629	3.4
71.01396	7.0
71.05002	1.5
83.01392	2.5
83.05043	1.8
91.01914	1.4
93.03477	1.5
94.02944	1.3
95.05043	2.4
97.06602	3.0
97.94181	1.4
103.46249	1.2
107.02842	1.4
110.44891	1.3
118.94209	1.9
120.02206	8.9
121.02969	100.0
122.03281	1.4
124.04022	1.9
125.09774	6.7
136.98827	1.9
137.00017	1.2
137.02522	1.7
151.02721	2.0
151.11308	16.7
163.11293	5.3
164.98274	1.3
165.12849	10.1
166.94333	2.5
173.09769	1.8
181.12375	17.7
191.10803	8.7
194.02303	1.3
209.00891	1.2
209.04234	6.7
209.07867	1.8
209.11841	47.7
209.15477	1.7
209.94945	3.2
210.04103	1.4
210.12097	1.6
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	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01876	4.1
57.03443	2.8
59.01363	0.9
61.98835	5.2
62.10969	0.7
69.03457	1.4
71.05025	1.2
73.74280	0.6
79.61955	0.6
80.02688	1.1
81.03456	5.5
83.01395	33.4
83.05036	3.9
84.02183	1.4
86.07017	0.7
92.99818	1.2
93.03471	1.2
94.02997	0.9
95.05003	1.2
97.06617	6.1
120.02186	5.8
121.02972	49.5
122.03265	0.9
123.08191	3.8
124.04067	1.8
125.06101	0.8
125.08808	1.4
125.09741	26.0
135.08197	2.2
136.98752	0.9
137.02432	0.8
147.11806	1.4
163.11296	12.1
165.12863	4.2
166.94295	0.6
181.12354	1.7
191.10805	8.0
209.00905	1.2
209.04561	4.1
209.11850	100.0
209.94952	0.8
210.04242	0.8
210.12192	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	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.01875	1.2
57.03464	2.9
59.01379	2.6
61.98825	11.5
63.45878	1.1
65.00340	1.6
65.06709	1.4
69.03483	2.0
71.01386	15.4
81.03449	2.5
83.01391	4.8
83.05038	1.9
86.83714	1.3
91.01879	1.1
92.99854	2.1
93.03473	1.7
94.02985	1.3
95.05061	3.7
96.96026	1.8
97.06616	4.8
98.22681	3.0
111.08191	2.1
112.01663	1.5
120.02164	10.0
121.02972	100.0
122.03298	1.6
124.04046	2.6
125.09742	9.1
134.03763	1.7
135.08186	1.9
136.98811	1.5
145.10287	1.8
147.11789	2.8
147.31615	1.4
151.02757	2.1
151.07759	1.2
151.11301	24.3
153.09276	1.1
153.12849	1.7
159.35516	1.2
163.11311	8.6
164.98286	1.5
165.12851	13.1
173.09673	2.8
177.16681	1.2
179.10815	3.8
181.12358	27.2
191.10782	15.8
194.02353	1.3
209.00868	2.7
209.04483	5.1
209.06015	3.0
209.11850	80.2
209.94864	3.1
210.12204	2.5
228.87529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1186
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.29554	0.5
51.36637	0.5
57.03455	3.2
59.01386	100.0
73.29208	0.6
80.02687	0.6
81.03470	1.7
83.05052	0.7
97.06586	3.3
109.06596	3.8
110.06982	0.7
120.02189	3.2
121.02974	19.8
130.18742	0.6
151.02792	0.8
165.12914	3.9
206.61566	0.6
209.04555	1.6
209.07967	0.6
209.11862	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	210.9652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98819	0.3
65.00330	0.4
67.01895	6.5
69.34772	0.5
69.35166	0.5
71.01395	1.2
72.99277	0.3
73.02933	0.4
75.00896	0.2
77.07008	0.2
78.95907	0.7
82.67020	0.2
83.01387	0.3
85.02953	2.3
89.02454	0.7
96.97007	0.2
101.02455	0.8
109.09503	0.3
111.00889	100.0
112.01221	1.6
112.93034	0.4
126.90375	0.2
128.08034	0.2
131.02376	0.3
136.98857	2.2
138.98047	0.3
148.96471	0.6
166.97530	32.1
167.97824	0.6
168.92041	0.5
168.99979	0.6
175.99731	0.4
185.03056	1.5
192.95467	3.2
210.96561	2.1
211.00775	0.7
211.08214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
65.00327	0.4
65.64290	0.4
67.01898	7.2
67.53540	0.4
71.01387	1.2
72.91782	0.4
73.70984	0.4
76.78442	0.4
78.95901	1.2
83.01357	0.4
85.02956	1.9
87.00880	0.4
88.04224	0.4
90.97198	0.5
94.02963	0.9
98.22628	1.0
99.00892	1.3
99.92614	2.1
105.86468	0.5
106.81613	0.4
110.95488	0.6
111.00893	100.0
112.01241	1.8
112.98803	3.1
115.92110	0.9
122.95402	0.5
124.98801	1.0
128.43205	0.4
128.48802	0.4
133.47107	0.4
136.98827	2.6
138.94972	1.0
138.96947	0.4
138.98055	0.6
141.04204	0.6
142.99872	13.3
148.96550	0.7
150.98949	0.8
156.98181	0.6
166.97536	30.6
168.03267	0.6
168.99985	1.3
173.00885	2.6
184.97745	1.4
185.03021	3.4
192.95486	2.8
210.96552	1.6
211.01089	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	211.0614
Annotation	Danielone
Peak:m/z	Relative Intensity
57.24165	1.2
59.01382	33.6
69.85425	4.5
78.95907	1.6
82.02974	2.7
87.00888	3.3
89.02799	1.3
95.01379	3.3
95.65430	1.1
96.96021	3.1
100.04028	1.9
101.31658	1.2
107.05030	1.6
108.02187	5.1
109.02979	8.3
111.00883	1.5
120.02184	11.1
123.00893	2.4
123.04544	11.0
129.05598	3.9
134.03757	18.8
136.01669	85.2
137.02374	1.5
138.03249	2.2
148.01672	57.4
149.02182	1.0
149.06096	3.8
150.03136	1.9
151.04018	100.0
152.04362	3.1
152.30881	1.3
153.05586	50.6
160.02477	1.1
163.04022	52.0
164.04335	1.4
165.01918	1.2
166.02693	6.1
166.91125	2.6
168.03029	1.5
181.05072	54.1
182.05434	2.6
196.03772	4.2
211.02655	1.7
211.06122	23.8
211.08063	1.6
211.13380	5.5
225.40166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
59.01380	1.4
68.56438	0.6
69.03457	0.7
98.21904	1.8
100.08673	0.5
120.71627	0.6
158.64754	0.6
165.12889	0.5
167.06200	1.4
167.10794	1.6
167.14426	2.6
183.13928	16.2
193.12389	4.4
211.13423	100.0
212.13724	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.08361	0.2
52.99754	0.2
59.01386	0.4
64.15881	0.2
66.19508	0.2
69.03458	0.8
70.53323	0.2
70.67498	0.2
71.41969	0.2
83.05013	0.5
93.91389	0.2
95.29235	0.2
111.08186	0.3
131.46533	0.2
141.90791	0.2
155.10828	0.5
165.12883	0.4
167.06171	0.4
167.10805	1.0
167.14410	1.6
180.61452	0.2
181.12433	0.2
182.20961	0.2
183.13916	13.8
184.14299	0.5
190.39113	0.2
193.12347	4.1
211.13412	100.0
212.13725	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89529	0.4
69.03458	1.1
69.19749	2.8
83.05024	0.8
85.00430	0.9
87.76867	0.4
91.10183	0.4
97.84595	0.4
98.21838	0.8
100.48035	0.5
129.39610	0.4
147.62817	0.4
152.06247	0.5
155.10829	0.6
165.12833	0.8
167.10796	0.7
167.14413	1.7
183.13916	14.4
184.14211	0.5
193.12326	4.8
194.09515	0.4
207.88127	0.4
211.13406	100.0
212.13727	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01382	0.4
60.47524	0.3
61.98792	0.4
67.01883	2.6
67.50429	0.3
69.03470	0.4
70.96626	0.5
73.27112	0.3
74.62556	0.3
83.05037	0.8
85.06571	0.4
95.01358	0.6
97.06580	0.7
119.03322	0.5
123.03416	0.4
125.09731	5.3
163.77336	0.3
167.06146	0.6
167.14432	4.3
175.11267	0.4
183.13936	0.6
211.13414	100.0
212.13728	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0557
Annotation	4,5'-Dimethylangelicin
Peak:m/z	Relative Intensity
51.92807	0.2
55.11092	0.3
59.01385	0.5
61.98812	0.4
68.47932	0.3
69.03462	0.5
71.44772	0.3
91.73552	0.3
95.01357	0.3
97.02940	0.7
108.02175	100.0
109.02485	2.5
118.08147	0.3
118.59024	0.3
121.93921	0.2
131.05034	0.3
132.98654	0.3
140.31862	0.2
143.05045	0.6
157.06583	3.8
158.03738	2.3
159.04453	1.0
169.06599	2.4
171.04517	2.2
176.98418	0.3
185.06071	8.5
194.99146	0.3
197.99135	2.4
212.04790	3.7
213.01457	1.0
213.05554	36.1
213.14919	0.8
214.05951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0559
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
56.46771	0.3
59.01375	0.7
62.91244	0.4
71.07092	0.4
71.42682	0.6
71.53921	0.4
93.03465	100.0
94.03819	1.9
97.02953	0.4
139.03882	0.5
141.67758	0.4
151.11411	0.4
155.14294	0.4
169.06598	10.2
169.12343	0.6
169.16011	0.5
197.99168	1.8
213.01607	1.0
213.05576	11.0
213.11320	1.1
213.14981	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	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47877	0.5
53.60633	0.4
57.03448	0.5
65.40350	0.4
69.99543	0.5
69.99890	1.3
97.06559	1.0
98.22609	0.5
108.82707	0.4
123.05657	0.4
135.94855	0.4
142.21300	0.4
143.51633	0.5
151.10091	0.7
151.11301	11.3
159.87509	0.6
169.12355	100.0
170.12706	3.5
195.10239	1.4
197.99207	1.5
213.11342	15.9
213.14879	1.0
214.11671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
55.24501	0.3
56.14707	0.4
59.01371	0.3
64.51127	0.4
73.02948	0.6
97.02989	0.6
97.06602	1.2
124.00344	0.5
151.11301	12.2
151.37427	0.4
152.11540	0.5
168.18700	0.4
169.12355	100.0
170.12701	3.1
181.15602	0.3
195.10233	0.8
197.99236	1.2
213.01559	0.7
213.11356	13.4
213.14992	1.1
213.18706	0.5
214.11736	0.6
219.61359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
59.59042	0.3
65.65347	0.2
69.22268	0.8
69.22673	0.7
85.32590	0.3
98.21958	0.5
109.26976	0.3
125.85159	0.3
126.03033	0.3
167.14545	0.3
168.02992	0.2
177.12814	0.3
183.13913	29.8
184.14305	1.2
195.13918	24.2
196.14253	0.9
197.99069	0.4
211.13362	0.7
213.14980	100.0
214.15344	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	213.1498
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
92.89584	0.4
98.22665	1.3
105.08910	0.5
136.93149	0.5
141.12943	0.4
167.14412	1.6
172.61032	0.4
177.12856	0.7
183.13907	5.5
190.66524	0.5
195.13913	18.2
211.13412	1.3
213.14992	100.0
213.82094	0.4
214.15347	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	215.1654
Annotation	12-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.08075	0.3
61.84594	0.2
69.37105	1.3
87.38012	0.3
98.21836	0.4
136.31281	0.2
144.00931	1.5
169.15997	5.4
180.28246	0.2
189.91476	0.2
197.15497	2.1
213.14935	1.0
215.01021	10.1
215.16534	100.0
216.01419	0.4
216.16870	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	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01726	0.6
66.60976	0.4
69.60361	1.4
77.16381	0.5
89.89772	0.4
132.98192	3.1
137.97560	0.4
174.99261	32.2
175.99626	0.6
193.19539	0.4
217.00314	23.0
219.93040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	0.4
63.98746	0.5
70.19854	0.8
87.10879	0.3
90.97148	0.6
101.57432	0.4
118.96574	0.4
126.69019	0.4
132.98210	2.6
174.99260	29.5
175.99521	0.5
217.00313	19.3
218.00642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	0.8
69.77706	0.4
69.78021	1.1
73.13757	0.4
86.59240	0.4
90.97164	0.6
95.83015	0.4
98.22639	0.5
114.72505	0.5
132.98196	2.5
174.99261	30.7
176.23364	0.4
187.10881	0.7
217.00304	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	220.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01384	3.0
61.06430	0.4
61.98835	11.2
62.70249	0.5
66.03478	1.4
68.01422	8.3
69.03455	1.6
69.76396	1.5
70.02982	0.5
79.05537	3.3
81.02198	4.1
82.02994	4.6
83.05013	1.1
84.04538	1.6
84.08190	0.6
86.06094	0.6
93.03462	0.5
94.02999	5.5
94.06638	1.6
96.04560	100.0
97.04873	1.6
98.22607	0.6
107.03824	1.0
107.05045	12.7
109.06603	1.7
109.74895	0.5
110.06128	2.0
112.07692	13.4
121.06593	1.0
123.04507	0.6
123.08173	22.9
124.08530	0.7
133.06577	0.9
135.08118	0.5
145.37311	0.5
148.07623	0.6
150.09254	23.7
151.09566	0.6
160.84193	0.8
164.10820	3.9
176.10713	0.6
178.98564	0.7
219.84543	2.7
220.13431	4.9
220.17918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0667
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03469	2.9
59.01384	100.0
71.01389	31.4
73.02947	63.9
75.00879	3.8
76.53133	2.3
83.01381	6.1
85.02954	13.5
89.02444	5.5
101.02460	25.3
101.25814	2.2
113.02454	34.6
130.97603	2.8
131.03496	7.7
134.03712	2.9
140.81430	2.5
203.96411	2.8
205.84949	2.5
221.11824	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76403	0.5
55.01880	6.1
57.03458	5.6
58.00591	1.1
58.29441	0.5
59.01385	100.0
60.01714	0.7
61.98841	1.5
69.03477	0.6
69.64034	1.9
71.01388	40.7
72.99317	1.9
73.02950	19.8
74.02515	0.6
75.00887	1.6
83.01389	11.0
84.02142	0.7
85.02959	24.5
86.00119	1.5
87.00894	2.0
89.02465	5.5
95.01397	3.2
97.02980	1.5
97.51734	0.5
99.00892	7.4
101.02456	45.3
111.00903	1.2
113.02460	16.6
114.12454	0.5
114.48021	0.5
119.03530	1.9
125.02458	0.9
129.01997	1.9
133.02992	0.8
136.97493	1.2
141.02037	0.5
143.03497	0.9
147.04549	1.0
147.05638	1.0
149.06104	1.5
159.03017	3.3
161.02533	0.8
161.04576	7.1
164.07237	0.8
175.05159	0.8
177.05573	1.2
178.98540	12.8
188.59319	0.5
191.99464	0.5
207.01822	1.2
220.99574	9.9
221.01468	0.7
221.04634	0.9
221.10275	9.7
221.12044	0.8
222.07857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1549
Annotation	Kobusone
Peak:m/z	Relative Intensity
55.61908	0.1
59.01374	0.4
69.23189	0.1
69.74001	0.2
71.38625	0.1
83.94006	0.1
98.21944	0.1
101.19838	0.1
110.47125	0.1
122.15673	0.1
127.07646	0.3
148.00368	0.2
148.05286	0.5
149.06026	0.4
156.33559	0.1
164.08429	2.1
165.09149	0.2
191.86978	0.1
205.12361	1.8
206.12692	1.0
207.01794	0.2
207.13857	0.3
218.97121	0.1
220.14714	3.3
221.15468	100.0
221.84169	0.1
222.15822	4.1
235.13446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0284
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
59.01367	0.4
59.96726	1.6
61.98824	0.2
65.80213	0.1
70.31606	0.2
70.31921	0.2
71.01384	0.2
74.99078	18.4
75.96210	0.4
75.99039	0.2
75.99447	0.2
91.38872	0.1
93.00141	6.3
94.00109	0.2
101.02464	0.2
110.62174	0.1
149.00964	13.5
150.01019	0.3
150.98904	0.8
152.96834	0.2
193.01393	0.2
206.99715	5.4
207.99754	0.2
223.02844	100.0
223.13425	0.7
224.02882	5.3
225.00734	0.3
241.03928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11283	0.8
59.01426	2.5
69.35823	3.0
71.01405	1.5
73.02948	1.0
76.35316	0.7
83.01431	1.4
83.95390	0.7
88.71892	0.7
93.03469	20.5
96.96043	2.0
101.02523	1.4
113.02484	1.2
119.05125	0.9
121.02969	38.4
135.04550	13.6
137.02499	1.2
148.00612	0.9
148.01659	0.8
149.02455	68.1
150.02812	2.4
151.03999	1.6
152.01193	8.2
161.04588	0.9
163.04030	18.3
164.04814	49.7
165.01936	16.5
165.05127	1.6
167.03563	1.7
169.05045	4.4
174.27194	0.7
179.01974	0.8
179.03516	1.0
179.07140	12.9
193.01437	68.1
194.01804	2.3
208.03781	100.0
209.04102	2.3
223.02666	2.6
223.06122	49.3
223.13469	1.1
224.06540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0615
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01373	1.5
62.37927	0.7
69.30067	1.8
69.30467	3.0
85.23978	0.8
85.48134	1.0
87.00887	12.0
91.05544	100.0
92.05860	2.3
117.07120	16.1
133.06613	24.8
135.04515	1.3
161.06093	31.3
163.04028	59.1
164.04420	2.2
179.07173	3.7
205.05031	1.4
223.06137	41.9
224.06461	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	223.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	13.7
57.03447	6.3
57.33004	0.7
58.00599	1.0
59.01384	100.0
68.99822	1.2
70.31892	1.5
70.32212	0.8
71.01389	76.1
71.91894	0.8
72.99325	2.4
73.01181	1.4
73.02953	37.3
75.00874	4.3
80.96541	1.7
83.01395	21.3
85.02959	43.2
87.00883	5.2
89.02450	7.3
91.02259	0.9
95.01411	5.8
97.02984	2.4
99.00890	11.5
101.02452	92.6
111.00928	3.3
112.98817	1.1
113.02457	30.6
118.29707	0.7
125.02478	1.3
128.76598	0.7
129.01953	1.3
135.01257	1.0
135.04916	1.5
136.07674	1.1
143.03539	3.0
159.02975	7.4
161.04572	25.7
180.06693	0.7
180.76755	0.7
223.02901	1.4
223.08255	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	223.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.7
57.03454	7.7
59.01382	95.0
67.08855	1.2
70.49418	1.8
71.01383	76.6
72.99310	3.7
73.02950	39.5
75.00864	3.7
80.96491	1.3
83.01392	22.5
85.02956	47.5
87.00888	5.7
89.02459	6.5
93.31023	1.2
93.39543	1.3
95.01384	5.8
97.02957	2.7
99.00888	12.2
101.02450	100.0
111.00844	2.0
112.98798	2.2
113.02457	32.8
125.02450	3.0
126.02172	1.0
129.01967	3.0
143.03477	2.0
159.02991	7.7
161.04572	26.1
187.36986	1.3
207.32196	1.5
217.86848	1.3
223.02715	2.8
223.08261	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	223.1342
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03460	1.3
59.01381	9.5
69.03471	6.8
85.06600	1.6
99.98003	1.4
109.06581	2.5
116.45071	1.5
125.09811	1.7
134.25247	1.3
136.26311	1.3
149.09689	1.9
166.06409	2.0
167.10815	11.3
177.12894	1.6
179.10825	3.1
179.14410	10.4
195.12234	2.6
195.13924	33.1
199.74849	1.5
205.12340	26.2
218.21671	1.3
223.02864	5.2
223.13412	100.0
224.13760	3.1
225.09061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03462	1.2
58.32605	0.9
59.01382	6.7
69.03469	7.9
71.00003	1.2
71.04995	1.9
76.63976	0.9
83.05038	1.2
85.06575	1.9
93.03431	0.9
95.05011	1.1
109.06614	1.9
111.08174	1.3
125.09740	1.7
149.00919	1.5
149.09706	0.9
153.09309	1.1
161.13358	2.0
166.06377	3.8
167.10799	10.7
176.83727	0.9
177.12894	1.3
179.10764	4.5
179.14432	10.5
195.13922	29.6
196.14212	1.5
205.12347	19.8
218.61555	0.9
223.02777	6.6
223.13409	100.0
224.13722	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	224.1656
Annotation	Adalinine
Peak:m/z	Relative Intensity
52.94051	1.3
61.64492	1.4
65.00323	5.3
69.27470	8.1
93.03474	3.0
95.48387	1.4
100.63792	1.5
108.00918	3.0
110.54886	1.6
124.96904	1.6
136.98831	4.2
137.02446	1.7
139.53258	1.6
157.03865	1.6
161.98334	2.1
176.19641	1.3
179.99405	1.5
223.98433	2.6
224.03073	1.7
224.16582	100.0
224.90480	2.1
225.00531	1.6
225.16951	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	225.077
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
59.01381	13.4
69.39574	3.1
80.37255	0.6
81.19255	0.6
92.74016	0.5
95.01382	4.7
96.95999	2.0
123.00893	32.9
123.04518	0.8
125.02458	3.9
137.02446	0.9
138.03203	1.2
139.00363	1.5
139.04028	0.8
149.02437	2.9
151.00388	10.7
152.01172	4.1
153.01952	1.9
153.05505	0.9
164.04764	1.3
165.09265	0.6
166.02676	1.7
167.03476	2.8
177.01927	3.0
180.04216	0.7
181.01453	0.6
186.78873	0.6
192.04256	1.9
195.02988	79.5
196.03317	2.2
203.61903	0.5
207.06631	1.0
209.04567	1.8
210.05342	100.0
211.05679	3.1
225.07695	51.6
225.11351	4.5
226.08015	1.4
227.16139	0.6
241.16716	0.6
241.92331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.78963	0.4
51.09486	0.4
59.01382	0.9
63.64569	0.4
67.01914	0.6
70.41905	0.4
74.93072	0.4
81.03440	0.5
93.03485	1.2
95.01402	0.6
96.96014	1.6
97.02990	0.4
107.43241	0.4
109.02953	3.1
112.92113	0.4
121.02915	0.5
123.00878	0.5
135.04550	1.7
137.02455	24.6
137.09744	0.9
138.03287	1.2
151.04022	0.6
153.05615	1.4
165.01939	98.2
166.02228	2.0
179.03549	1.4
180.04294	100.0
181.04758	2.2
181.08830	0.9
195.03000	36.5
195.06631	83.3
196.03354	1.2
196.06992	1.8
210.05342	44.9
211.05711	1.3
225.07700	34.1
226.08061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49266	0.6
54.04829	0.5
59.01381	2.2
60.20197	0.5
66.46635	0.6
69.27444	2.5
71.05032	1.1
74.99028	0.6
81.03454	1.0
83.05005	0.5
88.88404	0.5
89.53016	0.5
93.03473	0.9
97.02962	10.6
97.06576	0.8
99.00915	3.7
100.88057	0.5
109.06599	6.1
110.03751	8.2
115.97199	0.5
121.17686	0.5
123.04539	0.7
125.09726	0.9
135.08170	2.1
136.05310	2.3
142.02702	2.2
145.10306	1.0
161.09737	1.0
163.11298	12.7
181.12357	28.5
182.12700	0.8
197.11836	1.6
207.10283	71.3
208.10629	2.5
225.11343	100.0
226.05258	0.6
226.11644	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	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
59.01388	8.5
69.03462	1.0
80.02688	1.9
81.03474	3.7
83.05016	2.9
84.02172	2.4
93.03464	3.4
93.56094	0.7
95.05029	0.8
97.02948	11.9
99.00879	1.2
99.04503	0.9
107.05011	1.4
109.06604	37.1
110.03757	7.1
110.06903	0.8
121.06593	2.8
123.04562	1.2
125.09737	1.1
135.08133	4.4
136.05315	2.5
137.02441	1.0
142.02708	3.1
144.81197	0.7
161.09755	2.4
163.11302	24.3
164.11600	1.6
179.10768	0.9
181.12361	18.7
182.12711	1.2
182.42015	0.6
189.09235	1.5
195.06717	0.9
207.10277	93.2
208.10600	3.4
213.49812	0.7
225.11346	100.0
225.14964	4.1
226.05055	1.2
226.11711	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	225.1499
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.22070	0.5
54.18901	0.5
56.51292	0.5
59.01382	4.6
61.98833	1.0
67.29430	0.5
69.05759	4.1
81.03462	0.7
83.05028	1.0
93.03475	1.2
93.31425	0.5
93.32001	0.6
95.05022	0.5
95.30367	0.5
97.06575	0.7
109.06616	0.8
112.48350	0.5
126.90503	0.9
137.02354	1.2
143.86583	0.7
151.11424	0.5
163.11259	1.0
163.14925	0.8
165.01999	0.7
169.12361	1.0
178.83426	3.0
181.12357	1.8
181.16045	0.6
195.13922	10.0
197.15489	5.1
207.10275	2.6
207.13925	27.6
208.14243	0.6
225.11339	7.6
225.14973	100.0
226.15395	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.18504	0.3
58.02981	0.6
59.01374	1.4
68.57654	0.3
70.28644	0.3
72.04575	0.6
80.05076	0.8
81.03460	17.0
82.03801	0.3
82.06635	0.8
83.05030	93.6
84.05368	1.1
93.03466	0.6
94.06641	0.6
95.01389	0.5
96.96002	1.2
98.21867	0.6
107.06184	0.5
108.04568	1.4
108.32272	0.4
109.02942	0.4
123.00899	2.4
123.04555	0.5
125.02464	0.4
125.07216	4.1
126.05614	0.4
137.02490	0.9
138.05626	0.6
143.08284	3.0
151.00385	1.0
151.04054	0.4
152.01135	0.9
153.05511	0.4
165.01953	0.8
166.12393	0.4
177.01889	0.4
180.04292	0.5
181.05052	0.4
195.02985	6.2
207.15047	11.2
208.15434	0.5
210.05322	7.0
220.97231	0.3
225.04155	0.9
225.07712	4.6
225.16089	100.0
226.16386	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.94277	0.5
57.03446	0.6
58.00597	8.9
59.01367	0.8
71.04724	0.6
71.05046	0.6
73.02946	1.0
83.05038	0.8
84.02184	2.2
91.41682	0.5
114.45251	0.6
118.95618	0.5
139.87196	0.6
153.12888	2.1
155.14449	2.1
163.11320	1.5
165.12849	4.8
169.12411	1.1
171.13904	2.6
179.10768	0.6
181.12372	3.9
183.13948	5.2
190.89587	0.6
191.10884	1.4
199.13425	59.3
200.13734	1.7
209.11859	12.3
227.02290	3.3
227.12917	100.0
228.13271	3.0
249.15042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.20279	0.5
57.03451	1.1
58.00603	7.4
59.01392	0.7
59.81748	0.4
69.03439	0.5
69.52321	1.4
69.52687	1.0
70.40047	0.4
71.01391	0.8
71.05029	0.5
73.02943	1.2
83.05035	0.7
84.02155	1.7
85.03033	0.4
86.46487	0.5
101.36812	0.4
125.09742	0.5
137.09760	0.8
139.11301	0.6
151.11269	0.7
153.09308	0.6
153.12869	1.6
155.14413	2.6
161.46445	0.4
163.11337	1.0
165.12859	4.1
169.12355	1.5
171.13879	2.9
180.83142	0.7
181.12379	4.4
183.13899	4.3
185.07111	0.5
191.10806	1.4
199.13414	60.8
200.13774	1.7
209.11850	12.6
209.41248	0.5
219.19844	0.4
227.12914	100.0
228.13208	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01844	0.5
57.16874	0.4
71.05017	0.8
76.72212	0.3
80.02693	2.4
81.03458	1.7
82.92253	0.4
83.01392	0.5
83.05037	7.7
84.02176	4.1
89.78637	0.4
95.05025	1.4
98.22658	1.2
109.06620	0.6
125.06083	1.1
125.09716	0.5
131.35864	0.4
135.08194	0.8
163.11310	6.2
165.12845	4.4
181.12312	1.3
191.10764	1.1
191.84979	0.4
199.13374	0.8
209.11850	100.0
210.12181	2.9
227.03287	0.8
227.12897	4.3
227.20155	0.6
235.09682	0.4
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	Traumatic Acid
Peak:m/z	Relative Intensity
52.23773	0.7
59.13031	0.7
64.44947	0.8
69.99741	2.3
98.22552	1.1
111.08130	1.1
165.11549	1.3
165.12881	17.7
166.50221	0.7
183.13925	100.0
184.14241	3.5
209.11847	2.0
210.55011	0.7
227.12926	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
59.01370	0.3
69.56311	0.8
71.05027	0.8
71.71609	0.3
74.55788	0.3
76.46247	0.3
80.02687	2.0
81.03460	2.5
82.10144	0.3
83.01386	0.6
83.05034	7.8
84.02164	4.0
93.44794	0.3
95.05068	1.3
95.05566	0.2
97.06606	0.6
98.22617	0.5
109.06601	0.5
125.06097	0.8
125.09769	0.7
126.56086	0.3
135.08147	1.3
147.11876	0.4
163.11319	6.0
165.12856	4.8
181.12366	0.9
183.13881	0.5
191.10762	1.6
199.13321	0.8
209.11844	100.0
210.12186	3.6
227.03503	1.8
227.12866	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	229.0507
Annotation	Visnagin
Peak:m/z	Relative Intensity
59.01386	0.9
63.02407	5.0
65.00328	21.3
69.21871	0.9
69.22289	1.2
83.01388	10.1
83.13395	0.4
91.07391	0.4
96.78748	0.4
98.21949	0.8
101.03954	1.2
107.01396	22.0
108.99306	0.5
115.05508	0.5
119.05028	10.3
121.02972	0.8
129.22607	0.4
141.07100	1.4
143.04036	0.3
143.05043	7.5
145.02960	27.5
146.03284	0.9
151.00380	38.0
152.00754	0.7
157.06561	0.8
161.06097	8.8
169.01408	0.6
185.06097	7.2
187.04002	0.9
211.66310	0.4
229.05057	100.0
230.05385	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	229.1444
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
50.19735	0.4
56.86452	0.3
57.02129	0.4
57.03441	1.1
62.59063	0.3
69.03458	0.4
83.05027	0.6
85.02935	0.8
100.24503	0.3
123.11242	0.3
125.09701	2.2
127.11310	4.3
155.14449	1.2
165.12820	0.7
167.14442	2.4
171.10295	4.3
183.13960	1.9
185.07187	0.9
193.12329	0.7
209.11842	4.3
211.13411	11.0
212.13673	0.5
229.14455	100.0
230.14798	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.26937	0.3
55.77605	0.3
55.95561	0.3
57.03440	0.8
58.81253	0.3
59.01375	0.5
69.46467	1.2
75.00871	0.4
83.05080	0.3
108.02179	0.3
129.05569	0.6
139.11270	0.4
149.00487	0.3
165.12889	0.8
167.14427	39.0
168.14816	1.3
185.15483	0.9
193.93826	0.3
211.13420	42.7
212.13780	1.3
229.14459	100.0
230.14792	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03463	1.9
69.69412	0.9
69.69765	0.5
71.05021	0.5
83.05007	0.4
84.02170	0.3
85.02966	0.7
97.06580	0.3
98.22534	0.5
125.09730	3.0
127.11314	4.9
130.24335	0.3
149.96046	0.3
155.14435	2.2
165.12854	0.9
167.14453	1.8
171.10283	4.8
183.13882	1.2
185.15450	0.4
201.15005	0.4
209.11865	3.2
211.13416	7.3
212.13750	0.3
227.12865	0.4
229.14464	100.0
230.14810	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03455	1.4
59.01377	0.4
71.05020	1.0
83.05060	0.6
84.02171	0.5
85.02951	0.8
92.40925	0.3
97.06595	0.9
98.22639	0.9
119.24001	0.3
122.00719	0.3
125.09740	4.0
127.11316	5.0
155.14442	2.6
165.12836	1.0
165.48682	0.3
167.14423	1.8
171.10298	0.4
183.13914	1.0
185.15446	0.6
206.94986	0.3
209.11868	1.6
211.13423	3.8
229.14455	100.0
230.14801	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	229.1558
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
57.03451	1.0
59.01367	1.0
69.91599	1.1
69.91933	1.6
71.01392	1.5
73.73734	0.7
82.06616	0.7
83.01367	0.9
87.00846	0.7
94.06493	0.6
98.06083	1.1
107.24042	0.7
114.09237	1.3
115.08807	6.6
123.08074	0.8
130.08751	40.8
185.16602	35.1
186.16948	0.9
229.02531	1.2
229.10950	4.4
229.15588	100.0
230.04633	0.9
230.15855	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	231.1602
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
52.44137	0.3
56.33480	0.3
56.48409	0.3
57.03450	1.7
59.01364	0.3
87.04516	0.6
95.61025	0.3
97.19305	0.2
98.22652	0.5
103.90127	0.2
121.88276	0.3
125.06089	0.9
127.11319	2.2
135.58977	0.3
137.86792	0.3
152.02306	0.3
152.03534	5.1
155.14406	0.6
171.10292	4.1
176.83195	0.3
183.13907	0.4
185.15376	0.5
187.27139	0.3
195.13837	0.5
213.14986	4.8
229.14435	3.4
231.16013	100.0
231.99081	0.5
232.16321	3.4
248.00517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	32.6
59.21289	3.9
62.12783	4.0
69.55730	12.6
69.56139	9.6
71.01369	19.9
73.02946	5.1
83.01408	4.5
85.02929	5.9
89.78716	5.0
94.95766	8.2
95.53084	4.5
98.47960	4.5
99.00880	34.4
100.74598	4.4
111.00871	15.3
111.01567	4.4
129.01926	8.8
131.42574	4.7
162.98320	25.3
188.96237	44.7
233.15485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96706	0.8
60.02262	0.3
60.97502	0.5
74.99077	7.9
78.11005	0.3
91.02219	0.9
93.00134	2.5
109.11311	0.4
118.96273	1.2
134.99420	6.6
136.97365	2.6
141.07426	0.5
143.05357	0.7
146.77559	0.4
149.00970	72.3
150.00912	2.1
150.98895	1.0
159.08530	1.8
161.06410	3.7
201.04057	0.3
215.05632	0.8
217.07224	95.8
218.07376	4.1
233.10358	100.0
233.15384	13.7
234.10487	5.2
234.15767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0825
Annotation	Antibiotic WF 3405
Peak:m/z	Relative Intensity
50.47382	0.6
57.03453	6.7
59.01385	34.0
60.01740	0.6
64.82272	0.6
69.79029	1.0
71.01386	16.5
85.02960	21.7
85.03477	1.2
87.01004	0.5
89.02454	23.3
93.66218	0.5
94.03046	0.7
96.67249	0.5
97.82870	0.5
101.02455	1.5
103.04024	100.0
104.04379	1.1
113.02460	2.6
113.64164	0.5
119.03523	0.6
131.03514	1.3
131.18448	0.5
145.05119	1.1
149.04573	2.9
228.79442	0.7
235.08247	73.3
236.08636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79401	0.6
55.01905	0.5
57.03457	6.8
59.01385	33.8
59.16185	0.6
69.96992	1.1
69.97342	1.4
71.01392	18.4
73.02955	0.7
85.02959	19.6
89.02457	22.4
94.63625	0.6
101.02431	2.9
103.04025	100.0
104.04369	1.0
106.75340	0.5
107.01404	1.0
111.03687	0.6
113.02468	2.4
117.05582	0.9
131.03516	1.6
143.17325	0.6
145.05072	0.9
149.04561	2.5
185.25429	0.6
189.55664	0.7
194.10657	0.7
235.08250	76.3
236.08667	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	235.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97322	0.6
55.01867	0.6
57.03452	5.7
58.00592	1.1
59.01382	29.8
60.85202	0.6
62.38688	0.6
69.45630	1.2
69.46030	1.8
71.01385	17.0
71.01791	0.9
72.99291	1.2
73.02938	1.1
74.99461	0.5
83.01394	0.8
85.02956	23.3
87.00871	1.1
89.02452	20.9
94.02968	0.6
99.00877	0.9
101.02457	3.0
103.04018	100.0
104.04367	1.1
113.02457	2.8
131.03516	1.4
149.04553	2.4
155.83258	0.6
190.02739	1.0
191.03471	0.7
235.08240	75.7
236.08583	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	235.134
Annotation	(+)-Oxyglutinosone
Peak:m/z	Relative Intensity
59.01385	100.0
67.93665	0.7
71.01385	1.9
73.00681	0.8
87.59348	0.8
111.89480	0.7
112.91140	0.8
132.28671	0.8
137.51335	0.8
147.08194	0.9
149.09711	1.8
163.11302	26.6
191.14445	12.3
202.10117	0.9
217.12402	2.6
226.04881	0.8
228.83542	0.8
235.07892	1.0
235.13435	31.7
235.16008	2.3
236.13759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.4
59.01382	3.1
62.45606	0.7
62.63269	0.6
65.89324	0.7
69.44621	1.4
69.44988	2.9
71.01391	17.2
72.20955	0.6
82.04111	1.1
85.02933	1.5
87.00885	3.6
96.99319	0.7
104.71022	0.6
106.04245	1.1
108.02183	2.5
111.00893	7.4
115.00385	30.6
116.00724	0.9
119.05028	1.4
120.04566	100.0
121.02971	24.9
121.04900	2.0
121.92265	0.6
122.03243	0.7
123.04512	0.8
124.32565	0.8
130.04243	2.0
130.06648	1.7
131.05023	4.2
133.02942	0.8
134.03787	1.8
146.06122	0.7
148.07713	13.0
149.06105	6.9
171.22746	0.6
174.05608	14.0
175.04034	1.6
175.05873	1.1
192.06677	37.6
218.04585	4.6
236.05655	46.1
237.03918	1.7
237.06023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45822	0.5
87.58643	0.2
100.86867	0.2
134.03738	1.0
135.04536	0.5
136.05316	0.7
144.01526	0.3
148.05324	11.2
149.05975	0.3
149.09727	1.6
161.84628	0.3
162.06883	0.5
175.07707	0.4
176.08447	0.9
177.09222	49.9
178.09604	1.5
190.10014	2.1
191.10793	0.9
192.11578	35.6
193.11977	1.8
201.09201	0.6
203.07198	1.0
217.08696	3.4
218.09480	9.7
219.09735	0.4
236.10555	100.0
237.10892	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	237.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19139	0.6
59.84067	0.6
69.35553	2.3
71.01023	1.2
71.01389	18.2
103.26328	0.6
105.77631	0.6
108.73563	0.6
115.00393	8.6
121.02969	100.0
122.03288	1.9
189.84685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31917	0.6
55.42686	0.6
65.08078	0.7
65.83022	0.8
71.01386	21.2
73.11021	0.7
115.00385	8.2
121.02966	100.0
122.03276	1.5
134.53357	0.8
153.18407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0924
Annotation	Micrandrol A
Peak:m/z	Relative Intensity
53.39273	0.6
59.01374	1.7
59.58052	0.5
69.53733	2.3
84.63963	0.7
91.05540	44.9
92.05835	0.7
101.02435	0.6
117.03481	31.0
118.03790	0.9
119.05035	5.7
119.83747	0.7
121.02969	1.1
135.04530	1.7
146.03699	0.6
178.10773	0.8
209.09795	0.7
237.09235	100.0
238.09529	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	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.5
57.03448	7.4
59.01383	94.2
67.73628	1.2
70.08599	2.4
71.01385	80.9
72.01699	1.6
72.99313	1.4
73.02951	38.9
75.00859	4.2
78.95915	2.5
80.96528	1.4
83.01392	19.9
85.02957	50.4
85.03477	2.7
87.00888	6.0
89.02441	12.5
95.01381	6.0
97.02982	2.4
98.22544	1.2
99.00899	9.5
101.02448	100.0
111.00892	1.7
113.02457	35.2
119.03504	3.2
125.02470	1.9
127.46502	1.1
129.01942	2.6
140.14946	1.1
143.03557	3.2
159.02974	9.2
161.04576	32.6
220.15189	1.1
235.20291	1.1
237.09862	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	237.1495
Annotation	OPC-4:0
Peak:m/z	Relative Intensity
53.73230	0.7
57.03429	1.0
57.58371	0.6
59.01385	19.0
60.94355	0.6
78.95917	0.7
80.02685	2.2
81.03465	6.2
83.48723	0.6
85.02964	0.8
92.15603	0.7
106.99242	0.7
116.92868	0.9
121.02962	0.9
122.03811	1.2
123.08167	7.8
125.09732	10.6
137.09727	3.0
145.69655	0.6
149.09726	4.0
163.07750	0.7
163.11340	1.6
165.12866	11.6
169.08687	1.9
178.09976	1.8
179.10793	12.8
191.14415	1.8
193.15988	3.0
219.13890	1.2
237.14966	100.0
238.15285	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	238.1451
Annotation	Salbutamol
Peak:m/z	Relative Intensity
57.03444	1.3
57.07749	1.2
59.62228	1.3
61.05920	1.1
66.03497	1.5
69.03459	2.8
71.01378	4.2
72.02171	11.1
72.11760	1.3
73.02863	1.2
79.05530	1.2
82.06612	5.0
83.03784	2.9
83.05029	1.6
84.02172	5.3
84.04122	1.2
84.04559	5.5
84.08186	3.2
86.06103	5.8
92.29508	1.2
94.06608	3.0
95.05025	2.7
96.04556	77.5
97.06598	28.0
98.02463	2.7
107.05034	4.2
109.06596	1.5
110.06106	5.7
111.08155	5.5
112.07691	77.2
118.98325	1.6
123.08146	4.9
125.06093	100.0
141.09215	22.9
150.05621	2.3
150.09232	2.9
164.10786	4.0
168.06705	7.8
168.10281	1.5
169.07385	2.4
188.20056	1.4
193.20801	1.6
220.10602	4.8
220.13405	4.6
238.11990	3.1
238.14497	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	239.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
59.02280	0.8
59.52666	1.0
60.91561	0.9
65.45433	0.8
68.22726	0.9
70.07178	1.0
70.07542	2.6
81.33870	0.9
87.00870	7.9
90.99252	0.9
93.03467	2.8
93.04050	1.1
106.04252	3.3
107.05041	35.2
115.65521	1.0
121.02954	3.2
131.04990	1.2
133.06615	14.9
135.04512	4.1
149.06099	42.1
166.42502	1.0
177.05592	48.3
178.05910	1.8
179.03519	83.4
180.03925	2.2
195.06668	9.1
206.26500	0.9
221.04613	1.8
223.02861	1.2
239.05640	100.0
240.06091	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	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31724	1.1
56.80727	1.0
59.01360	1.4
64.80205	1.1
69.79398	3.0
72.99309	4.9
87.00891	9.1
91.01871	1.1
91.05523	4.6
93.03434	1.6
98.22598	2.3
106.04242	2.2
107.05039	33.5
118.74753	1.1
121.02961	4.1
131.05006	1.3
133.02898	1.2
133.06602	15.4
134.03757	1.3
135.04538	3.6
149.06090	45.0
150.06439	1.1
151.03999	2.4
163.03992	1.7
177.05582	47.1
178.05885	1.4
179.03508	79.6
180.03806	2.2
195.06622	8.6
221.04564	2.1
239.05615	100.0
240.05882	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	239.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10950	0.1
59.96725	0.9
61.13089	0.1
74.99077	13.3
85.02955	0.2
91.02219	9.7
92.02605	0.2
93.00141	4.5
93.08079	0.2
107.42065	0.2
111.86575	0.1
149.00964	5.5
150.98866	0.3
199.18002	0.1
206.99710	3.3
221.11891	0.2
223.02844	100.0
224.02875	5.3
239.05769	1.0
239.12834	0.4
241.03860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03474	0.4
59.01381	0.3
60.22386	0.3
69.95234	0.5
69.95585	0.6
78.36469	0.3
87.84722	0.3
89.52559	0.3
93.00143	0.3
95.05017	1.5
96.96048	0.5
101.06093	8.6
107.05133	0.3
109.06594	6.0
111.08174	6.3
116.92920	0.3
122.03745	1.0
125.09735	1.2
127.87639	0.4
135.11807	0.4
138.06860	2.5
139.04021	15.0
139.07681	0.4
140.04472	0.4
151.11293	1.0
154.06372	33.8
155.06824	0.6
167.14432	10.3
168.14742	0.6
173.22462	0.4
179.10759	5.0
180.11438	0.6
182.05881	3.4
185.15413	0.4
195.13910	100.0
196.14276	3.5
223.02831	2.7
239.06915	1.9
239.12883	7.0
239.16447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
66.37780	0.5
70.66624	0.6
93.97682	0.5
100.71708	0.5
177.12892	2.4
195.13918	100.0
196.14241	3.0
221.11800	0.6
223.02841	3.5
224.02884	0.6
239.12903	3.3
239.16632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.129
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01379	3.1
70.02460	1.2
71.28191	0.6
74.99075	0.6
83.05034	0.6
177.12906	3.4
195.13908	100.0
196.07652	1.2
196.14285	3.3
203.10831	0.9
221.11737	0.9
223.02844	3.6
239.12889	10.8
239.16606	0.7
240.06653	1.0
240.13356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0668
Annotation	N-Benzoylanthranilate
Peak:m/z	Relative Intensity
79.58776	0.8
88.77773	0.8
89.52457	0.8
92.05056	3.9
93.42222	0.8
96.35942	0.8
98.22642	2.9
100.19987	0.8
118.02998	6.9
121.02987	0.9
167.31293	0.9
168.08211	1.7
194.06120	11.0
196.07687	100.0
196.14275	1.5
197.07973	4.5
224.02864	0.8
228.81580	1.1
240.06677	50.8
241.07056	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	241.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69174	7.9
57.03447	10.9
59.01391	21.7
62.18633	9.1
69.39414	13.8
69.39809	22.1
71.01392	16.9
73.39387	7.4
78.95908	76.5
83.01375	8.4
85.02953	20.4
96.96964	22.4
96.99309	13.6
98.22628	16.5
99.00885	55.9
111.00217	8.2
111.00893	42.8
112.98828	100.0
124.98817	23.7
129.01974	19.8
142.99875	59.1
143.02026	10.6
145.01468	10.1
154.66422	8.9
157.01341	8.7
158.99800	21.9
166.97551	25.7
171.01512	10.5
173.00945	86.9
184.97688	22.8
196.99469	13.9
205.03566	21.0
208.98648	11.9
214.98581	8.2
220.68074	8.9
226.98955	7.9
240.96657	13.4
241.01234	54.4
241.21913	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	241.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69174	7.9
57.03447	10.9
59.01391	21.7
62.18633	9.1
69.39414	13.8
69.39809	22.1
71.01392	16.9
73.39387	7.4
78.95908	76.5
83.01375	8.4
85.02953	20.4
96.96964	22.4
96.99309	13.6
98.22628	16.5
99.00885	55.9
111.00217	8.2
111.00893	42.8
112.98828	100.0
124.98817	23.7
129.01974	19.8
142.99875	59.1
143.02026	10.6
145.01468	10.1
154.66422	8.9
157.01341	8.7
158.99800	21.9
166.97551	25.7
171.01512	10.5
173.00945	86.9
184.97688	22.8
196.99469	13.9
205.03566	21.0
208.98648	11.9
214.98581	8.2
220.68074	8.9
226.98955	7.9
240.96657	13.4
241.01234	54.4
241.21913	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	241.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00787	0.7
65.99835	0.7
71.44930	0.9
79.27770	0.6
85.30768	0.6
117.07046	1.4
117.20198	0.6
123.00858	1.4
133.01686	0.7
134.02481	3.3
151.03163	2.3
153.04744	2.8
179.14413	1.0
184.04059	1.1
197.03751	100.0
198.04135	3.7
212.03500	4.5
213.02151	1.4
213.04300	5.0
214.02769	1.7
223.13431	3.8
240.03004	4.9
241.03815	35.2
241.14502	2.9
241.18057	1.7
241.21631	0.8
242.02185	1.8
242.04309	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
50.92136	0.4
54.97565	0.4
55.01885	0.8
57.03466	0.8
58.92367	0.4
69.03455	3.6
69.25925	2.4
71.01395	0.8
71.05029	3.9
79.73360	0.4
81.03460	0.7
83.05029	2.5
87.68034	0.4
97.06618	0.7
110.91660	0.5
123.08179	0.8
125.09731	2.2
151.11255	1.4
153.12894	3.8
160.57338	0.4
161.09729	1.2
161.73729	0.4
177.37119	0.4
179.10789	6.4
197.06006	1.2
197.11839	100.0
198.12190	3.5
214.35683	0.4
223.09799	2.6
241.10823	67.3
242.11205	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
50.91453	0.9
57.03454	1.1
59.01383	2.2
59.74493	1.0
61.79424	1.1
69.14645	4.4
71.05014	4.3
83.05023	2.2
94.67622	0.9
97.02939	8.4
97.06571	2.3
97.72148	0.9
99.00883	24.1
109.06573	1.2
110.03745	3.6
116.70918	1.1
123.04561	1.3
123.08214	1.6
125.09726	8.6
136.05261	1.6
155.14404	2.7
161.09750	1.0
163.11304	11.1
181.12344	33.3
182.12579	1.0
197.11790	2.1
199.13420	21.9
207.10271	56.4
208.10637	2.1
225.11333	100.0
226.11687	3.8
243.03055	1.6
243.12372	93.9
244.12666	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 1a
Peak:m/z	Relative Intensity
53.49628	1.0
57.03445	4.1
59.01387	56.6
71.01392	1.1
71.05038	1.6
73.02950	3.2
98.22623	2.5
99.00875	3.0
111.00880	1.8
125.09679	3.2
139.11307	36.6
140.11693	1.1
145.03003	2.8
155.10779	4.0
163.11316	3.2
165.09273	2.1
181.08757	4.3
181.12373	27.6
183.10286	53.1
184.10631	2.6
199.09605	1.2
199.13397	18.3
201.11287	3.7
207.10268	11.2
207.11942	1.5
225.11353	44.9
226.11737	1.1
243.12389	100.0
244.12746	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	243.1238
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01368	1.5
62.33246	0.6
69.31264	1.6
69.31652	2.2
71.05013	2.9
81.16283	0.7
83.05035	1.0
95.39050	0.7
97.02950	3.2
97.06607	1.8
99.00885	13.1
104.94932	0.8
109.06551	1.2
110.03738	1.7
125.09728	4.9
153.12794	1.4
155.14508	1.4
163.11310	5.6
181.12357	17.6
197.11795	1.4
199.13403	18.6
207.10281	31.1
225.11346	64.1
226.11711	2.3
239.56787	0.8
243.12383	100.0
244.12804	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	243.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23449	0.7
66.03483	1.1
69.07851	3.4
69.13689	0.5
82.06633	5.3
84.08186	1.4
84.98676	0.6
89.72089	0.6
91.77097	0.6
100.19843	0.7
109.01688	1.8
109.63272	0.6
112.07690	1.6
112.50598	0.5
119.05035	3.5
129.10367	4.9
130.08751	48.2
131.09140	0.8
140.12755	0.6
141.10371	1.2
163.04089	3.0
182.15503	5.0
199.18172	23.9
200.18489	1.0
201.11316	0.5
242.99771	0.9
243.17149	100.0
244.17577	3.2
252.02499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0932
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
51.14877	0.7
54.19113	0.8
58.02979	27.4
70.02982	13.8
71.51316	0.8
72.00896	4.0
72.04561	6.2
74.02480	100.0
98.02490	24.9
98.22810	1.2
104.05964	0.8
116.02715	0.9
116.03558	30.0
116.05067	35.8
130.06665	4.6
142.06627	8.7
159.09285	6.4
174.03223	0.8
183.09309	2.2
186.05598	3.0
201.10335	9.1
203.08278	85.4
204.08534	2.6
213.06754	0.9
245.09328	71.7
246.09581	2.3
260.15521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1188
Annotation	oscr#9
Peak:m/z	Relative Intensity
54.22609	0.4
59.01375	1.7
66.31464	0.4
69.49976	1.5
71.01380	1.1
72.99310	5.6
75.00877	100.0
76.01212	1.0
89.02448	1.2
90.97166	0.5
108.93699	0.5
115.04025	0.8
123.29507	0.4
132.98181	0.9
147.04552	0.5
153.09216	1.2
155.53455	0.4
170.53471	0.4
174.05577	0.9
174.99289	1.1
175.06392	7.1
183.55725	0.4
183.88976	0.4
184.97681	0.6
186.95595	2.2
198.54465	0.4
202.94423	2.4
203.09103	1.2
204.10304	6.7
247.11871	79.8
248.12650	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	247.1704
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
51.65847	0.2
54.28759	0.1
56.04161	0.1
71.04994	0.2
110.22355	0.1
137.68752	0.1
158.78630	0.1
195.84401	0.2
204.15173	0.3
205.16000	0.4
220.17119	1.1
220.77072	0.1
231.11751	0.1
231.13951	0.7
232.14624	0.3
235.09662	0.2
247.17039	100.0
248.17397	4.6
249.54721	0.1
261.95392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.093
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
51.52318	0.5
52.01908	0.6
69.10952	3.1
70.02987	1.1
72.04556	6.5
74.43949	0.4
74.62336	0.5
82.02992	100.0
83.03330	1.4
85.91602	0.4
91.05544	10.0
92.05924	0.5
98.02489	9.5
100.04059	53.3
101.04412	0.6
112.32883	0.4
114.18540	0.4
176.10818	1.5
202.08752	16.8
202.10628	0.9
203.09094	0.6
204.10234	0.6
220.09743	0.7
243.00426	0.5
248.09305	27.8
249.09647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0981
Annotation	Aristeromycin M
Peak:m/z	Relative Intensity
57.03435	0.8
58.00598	0.9
59.01384	44.9
59.56118	0.6
64.78893	0.6
69.73003	1.1
69.73392	1.3
71.01388	26.7
71.05025	15.2
72.99327	1.0
73.02961	0.9
80.02261	0.7
82.02979	1.0
83.01371	0.7
85.02950	5.6
87.00900	0.7
89.02453	29.7
90.78180	0.7
99.04530	27.5
101.02446	2.6
101.06093	0.7
113.02482	3.1
117.05593	100.0
118.05963	1.3
119.03521	0.9
131.03479	2.9
133.02998	1.1
149.04578	3.9
159.06638	1.1
160.87134	0.5
161.02470	1.6
205.05153	0.6
205.06998	0.9
249.09814	88.6
250.10204	3.6
250.14479	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	249.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	0.5
57.03444	0.7
59.01384	34.8
70.90701	0.8
71.01387	19.4
71.05024	13.9
72.99340	0.5
73.02946	1.5
80.96506	0.5
85.02971	3.4
87.00871	0.9
89.02452	25.2
96.96015	0.7
99.04528	18.9
101.02452	2.4
101.06097	0.8
113.02490	2.6
113.57944	0.6
117.05589	100.0
118.05913	1.6
119.03472	0.6
124.19849	0.5
130.94376	1.0
131.03539	2.0
135.04547	0.6
149.04576	3.0
153.01913	0.6
161.02490	0.8
207.96762	0.7
218.11960	0.7
235.54901	0.5
249.09811	75.3
250.10211	2.8
250.14505	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
56.99565	0.9
59.01376	0.9
66.45547	0.3
67.72243	0.4
68.11802	0.4
69.28864	1.7
70.99394	0.5
81.06191	0.5
96.60339	0.4
98.21811	0.5
118.44597	0.3
127.07660	1.4
133.10254	0.6
141.09238	1.6
155.10793	1.1
167.06886	0.7
179.10771	1.0
180.55591	0.4
181.08566	2.7
181.12344	12.8
191.73250	0.4
199.07315	0.5
199.70093	0.4
201.08961	3.1
203.10551	8.8
205.12218	1.0
218.11949	0.5
219.10094	0.7
221.11609	3.8
223.13194	19.3
224.13454	0.8
225.07422	0.6
233.08014	1.9
235.09537	1.6
249.11108	100.0
250.11449	4.0
250.14511	8.4
250.16849	0.4
251.08748	0.4
265.10553	2.0
267.12103	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	249.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35736	0.4
69.03467	0.9
71.01363	0.4
83.83333	0.4
84.02161	1.7
85.02983	0.4
87.00879	0.4
87.35215	0.5
89.37085	0.4
96.95982	0.6
97.05978	0.9
97.06593	14.2
98.06931	0.5
99.04539	0.7
121.02971	8.8
122.03732	1.4
123.04538	1.0
135.04506	3.0
136.05313	2.7
146.03757	9.3
147.04529	36.2
148.04869	0.8
149.06084	0.5
150.03223	0.9
151.04021	0.7
159.04538	6.3
160.05209	0.6
161.02475	1.0
161.06093	24.4
161.13405	0.5
162.06816	2.3
163.04033	0.9
163.07648	1.2
171.04535	1.1
172.05286	6.3
173.06047	3.8
174.03235	1.0
175.04019	22.2
175.07628	1.8
176.04688	1.5
177.05534	1.6
187.03998	0.6
188.04768	3.2
189.05582	10.6
190.06374	25.0
191.06967	1.3
191.10754	1.0
196.87558	0.4
201.05592	4.2
201.09216	1.2
202.06444	0.5
203.07062	1.6
204.04367	0.7
204.07925	1.4
205.05072	1.6
219.06686	0.7
219.10263	9.4
220.07410	86.3
221.07793	2.7
235.69856	0.5
249.11324	100.0
250.07243	0.8
250.11656	4.5
250.14502	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	249.1498
Annotation	Sch 601254
Peak:m/z	Relative Intensity
59.01386	11.4
61.98840	2.4
69.03461	33.9
70.29829	2.0
77.94488	2.1
83.05051	2.6
93.03480	2.6
95.05039	3.1
101.53503	2.0
111.35484	2.1
127.93272	2.4
135.08098	2.5
149.13379	3.7
161.02533	2.4
167.10933	2.3
187.14949	4.9
193.12372	3.4
205.12393	10.5
205.15994	14.4
211.14853	2.1
213.13103	2.7
218.11765	2.6
221.15494	17.3
231.13914	25.4
249.08913	3.3
249.11267	4.1
249.14972	100.0
250.14497	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01379	5.2
61.98814	0.5
71.01390	0.4
73.23969	0.3
73.82040	0.3
83.05022	1.0
97.06573	0.4
98.22652	1.1
158.98442	0.3
161.02379	0.3
174.62718	0.3
205.16035	0.7
205.19601	1.8
231.17491	1.7
247.17088	0.4
249.18616	100.0
250.14497	7.5
250.18811	3.7
256.47751	0.3
264.44501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
55.25048	0.4
59.01383	4.1
59.41697	0.4
83.05009	0.9
133.57320	0.6
139.29176	0.4
205.15993	18.9
205.19565	1.8
206.16219	0.7
231.17606	1.4
234.11465	0.6
248.97234	0.8
249.14986	27.7
249.18616	100.0
250.14503	25.4
250.18591	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	250.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84153	0.4
55.44684	0.4
59.01382	1.3
61.27651	0.4
69.37498	1.0
69.37891	1.2
70.02985	0.8
71.01391	7.6
72.00880	0.5
75.44634	0.5
81.37907	0.4
88.04043	84.1
91.05542	5.4
92.99021	0.5
93.57533	0.5
95.80873	0.4
105.01911	2.3
112.04076	0.5
114.01974	4.2
115.00381	15.5
117.03471	0.6
119.05027	1.1
120.04520	0.8
121.02903	1.1
132.03033	100.0
133.03389	1.1
134.06126	1.5
135.04538	4.9
150.03221	1.1
162.09172	0.5
163.04008	1.2
191.05495	0.6
206.08208	2.8
232.06259	0.9
250.07211	17.1
250.14471	9.7
251.07632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.1
57.03448	5.6
58.00573	1.8
59.01386	100.0
69.90308	1.2
70.84050	1.4
71.01389	93.9
72.99323	1.7
73.02956	40.7
74.03298	1.1
75.00864	3.2
83.01398	16.8
85.02959	48.8
87.00882	4.5
87.04498	1.4
89.02445	22.1
95.01405	6.9
97.02946	2.7
99.00903	11.3
101.02456	88.8
102.02808	2.2
113.02458	39.0
119.03535	6.2
120.28878	1.4
124.35481	1.4
131.03433	1.5
135.41331	1.3
143.03497	3.2
159.02998	6.9
161.04570	36.5
163.04053	1.4
172.22212	1.2
251.11424	19.1
251.14124	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	253.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66401	1.1
55.63953	1.0
56.27567	1.1
59.01385	100.0
61.32896	1.0
62.02466	1.2
63.72605	1.0
64.64510	1.1
67.18832	1.1
69.20141	2.9
69.20550	3.3
72.99315	2.3
86.65709	1.1
87.00887	42.8
103.00380	38.4
112.98783	1.7
121.02970	68.6
130.99866	19.3
188.38557	1.1
204.84009	1.0
253.03647	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	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40998	1.1
53.44859	1.0
59.01384	100.0
69.75765	4.1
83.10017	1.1
85.90628	1.0
87.00883	40.6
103.00381	36.7
121.02966	70.1
125.47646	1.1
128.16479	1.2
130.99861	14.2
132.35927	1.1
136.87445	1.2
253.03398	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	253.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16381	0.6
55.97049	0.5
57.03440	3.0
59.01384	15.7
61.98825	1.0
69.66180	0.8
69.66528	2.2
71.01385	4.9
72.99299	0.8
73.02950	1.2
81.03459	2.5
82.72507	0.6
83.01396	5.4
85.02949	7.9
87.00881	100.0
88.01221	0.6
89.02442	4.2
92.59303	0.7
93.03450	5.6
95.05049	1.7
97.00446	0.6
101.02438	5.9
108.02178	12.5
113.02454	2.2
113.21642	0.6
119.03523	1.3
119.05020	0.8
121.02967	16.1
122.03771	4.0
123.03604	1.2
123.04532	25.2
130.99869	1.1
132.98222	1.9
135.38605	0.7
137.06096	3.2
145.02982	2.3
146.03708	1.2
147.04538	4.3
150.03229	1.3
150.06863	0.7
160.88054	0.6
161.04584	2.9
165.05585	32.5
166.05872	1.0
167.63306	0.7
174.99307	3.2
193.42482	0.6
198.99326	1.8
226.98798	1.9
252.96660	0.9
253.00276	1.5
253.03587	2.2
253.09334	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	253.0925
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01882	3.0
57.03444	2.8
59.01383	100.0
67.77003	1.4
71.01385	54.4
72.99297	2.5
73.02946	6.1
81.17763	1.5
83.01391	6.2
85.02959	12.3
87.00896	8.6
89.02454	46.6
91.04043	2.4
95.01400	5.5
101.02444	55.3
113.02454	26.8
119.03500	14.0
121.02981	5.9
125.02502	1.5
131.03537	2.6
143.03464	3.3
161.04565	19.7
179.05592	7.3
253.09303	60.2
253.14645	2.1
253.21921	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	253.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01384	70.3
61.98828	5.3
65.00342	1.5
67.35992	1.2
70.54028	1.0
70.54365	0.9
71.01385	7.2
72.99326	1.3
73.02949	1.8
78.95907	1.2
80.96522	3.2
81.03433	1.0
83.01373	3.7
85.02958	4.1
87.00341	1.7
87.00883	33.3
89.02451	3.0
93.03458	2.6
96.96026	1.4
101.02448	6.4
103.00379	1.8
108.02180	1.8
111.00890	2.2
112.98810	2.7
113.02446	2.3
121.02968	100.0
122.03291	2.2
123.04523	7.9
132.98206	14.3
137.06131	1.5
138.05621	1.4
147.04515	1.4
156.98190	5.2
157.92651	1.0
161.04536	3.2
165.05569	11.4
174.99261	16.8
182.99765	2.8
184.97754	2.0
193.03638	3.8
198.99237	13.0
204.90091	0.9
208.53998	1.0
208.97656	2.8
226.98781	14.0
252.96661	6.3
253.00266	2.0
253.03598	4.9
253.09338	5.6
253.21486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.2
59.01385	57.3
61.98836	4.1
62.73389	0.9
65.00311	1.2
67.64674	1.0
69.70332	3.0
71.01385	5.7
72.99321	1.6
73.02961	1.1
74.15142	0.8
80.96535	1.2
81.03479	1.1
82.99839	0.8
83.01417	2.8
85.02950	4.4
87.00884	31.9
89.02445	4.8
93.03476	3.1
94.98158	0.8
101.02445	5.8
103.00413	2.3
108.02182	3.4
111.00927	2.0
112.98811	2.7
113.02453	2.8
119.03482	1.2
121.02969	100.0
122.03255	1.1
122.03737	0.8
123.04519	8.6
132.98203	11.5
145.02939	1.1
145.73189	0.9
150.03189	1.7
156.98238	2.7
161.04602	2.5
165.05600	9.0
174.99261	11.2
182.99707	1.0
184.97725	1.3
193.03738	0.8
198.99269	7.9
208.97701	3.0
212.75209	0.9
226.98749	11.5
252.96628	4.5
253.00359	1.6
253.03757	3.5
253.09348	5.5
253.21774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1449
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
57.03432	6.0
58.00603	5.7
59.01384	88.6
61.26209	4.4
64.32960	3.8
69.03455	8.6
71.01392	8.6
71.41323	4.8
79.95749	20.7
83.01405	6.8
87.00867	7.9
89.02483	4.0
94.89164	4.6
97.06606	20.9
100.85351	4.3
101.02435	6.2
109.06607	7.7
111.08173	75.0
121.02965	16.3
121.06608	6.6
121.64346	4.1
125.06080	5.3
135.08160	8.7
137.09747	4.5
139.07661	9.0
141.05598	100.0
143.07149	14.8
155.07195	12.0
171.06831	4.7
173.13330	12.4
191.10870	4.6
191.14478	28.2
192.34171	4.3
205.99593	4.7
207.14044	5.7
209.11838	7.5
209.15544	5.7
235.13388	27.0
253.07359	5.1
253.11055	5.3
253.11615	6.3
253.14478	66.6
253.18303	4.0
253.21684	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	253.1447
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
52.14985	1.6
56.54922	1.8
57.03443	4.2
57.96296	1.7
58.98624	1.5
59.01387	17.4
60.99308	2.0
61.31623	1.6
62.29251	1.5
67.06528	1.8
67.89042	2.0
69.03441	2.0
69.34048	8.5
71.01377	5.7
77.67072	1.5
79.95737	15.0
81.03465	2.9
81.95339	1.8
83.05029	7.1
87.00862	2.4
89.02466	2.1
95.05039	4.3
97.06604	7.4
98.03752	4.2
101.02477	2.9
109.06609	11.7
111.04510	2.5
111.08179	17.0
113.06100	1.9
113.09737	11.2
115.07641	3.0
120.05814	2.7
121.02935	4.7
121.06638	2.7
125.06146	3.4
126.06853	4.1
127.07702	9.4
128.08417	2.1
129.09222	3.0
137.06166	1.8
137.09720	11.9
139.07661	3.4
140.08452	3.6
141.05594	2.8
141.09227	45.3
149.19209	1.6
154.10034	6.3
155.10739	3.9
157.80061	1.7
161.09882	2.3
163.11279	3.8
181.12392	4.9
181.15974	3.9
184.07428	6.9
189.12877	3.2
191.14432	100.0
192.14813	3.4
193.12303	2.5
207.13882	2.6
209.15494	36.4
217.12514	3.5
235.13373	24.6
253.07521	4.1
253.14481	88.6
254.07147	2.1
254.14737	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	254.0459
Annotation	Imidacloprid
Peak:m/z	Relative Intensity
54.96065	0.1
59.01378	0.1
64.01923	0.6
65.00315	0.1
65.99851	4.1
67.01893	0.3
80.20467	0.1
85.02956	0.4
95.01391	4.1
107.01395	3.8
107.02138	0.1
115.05515	0.2
120.00922	0.4
121.01711	0.9
123.00910	0.9
131.05055	0.2
134.02481	0.3
139.05521	0.5
141.03477	0.2
142.06583	0.3
143.05064	0.1
145.06596	0.1
149.01178	2.1
151.00336	0.2
155.05058	0.1
158.03746	0.5
159.04532	2.1
167.05048	0.1
170.06134	1.2
171.04568	0.1
173.06108	0.2
177.00768	0.1
180.04466	0.1
181.05421	0.3
182.03876	0.1
182.06094	0.1
183.04546	0.2
196.04034	0.1
197.04886	0.2
198.05617	0.9
199.04051	0.1
209.04901	0.2
210.03268	0.2
210.05284	0.1
211.03986	0.7
225.04330	2.6
226.05101	3.5
227.05392	0.2
252.03035	0.4
253.03748	0.4
254.04596	100.0
255.04909	4.9
255.15796	0.1
255.23242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0461
Annotation	Arolycoricidine
Peak:m/z	Relative Intensity
69.91963	0.1
89.02575	0.1
90.03513	0.5
102.06271	0.1
109.59836	0.1
118.03003	100.0
119.02544	0.1
119.03338	1.7
134.02521	0.1
148.80388	0.1
166.54709	0.1
181.05432	0.1
209.04906	0.2
210.05621	2.2
211.03999	0.4
211.05855	0.1
254.04610	19.2
255.04909	0.9
255.23364	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	254.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.4
67.01896	2.7
69.94256	0.6
70.48458	1.0
71.01389	0.8
72.99319	2.2
78.95927	3.4
83.01407	1.4
85.03001	0.8
87.00885	16.4
93.03488	0.9
95.05056	1.2
99.92622	0.7
107.05020	0.9
108.02217	0.8
109.02918	1.1
111.00887	33.6
112.98825	0.6
117.00462	1.8
121.02969	1.3
122.03749	2.1
123.04536	80.5
124.04905	1.0
139.02515	1.8
141.00449	3.3
141.04099	17.0
142.04187	1.0
143.02026	11.4
148.05315	1.5
149.00963	5.1
149.06099	18.3
150.03253	3.8
150.98901	7.9
151.04010	1.9
159.01439	0.6
164.04794	0.6
165.00455	1.2
165.05585	15.9
167.02034	4.5
168.99942	17.3
170.00108	0.8
175.03983	2.0
179.03444	0.6
183.01485	5.7
184.01712	0.7
185.03072	87.3
186.03229	3.5
192.99939	8.5
193.05057	11.6
193.06749	1.0
194.93761	0.9
195.01680	0.3
195.02995	14.6
211.01001	100.0
212.01173	6.5
215.20801	0.7
219.02965	2.3
236.98920	5.2
237.04050	2.1
255.00014	18.5
255.05115	47.4
255.23308	17.5
255.25505	0.4
256.05597	1.0
277.59055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
60.53668	0.6
61.98833	0.8
67.01897	2.1
69.69336	1.5
71.01363	0.7
72.99324	2.7
74.99408	0.8
75.00898	0.6
78.95918	2.5
79.05560	0.6
80.91692	0.7
82.03002	1.0
83.01398	1.3
85.02966	1.7
87.00886	4.3
93.03481	1.3
93.76794	0.6
96.96014	0.8
98.02494	1.0
98.99401	0.9
99.00919	1.0
107.05068	1.0
108.02182	0.9
109.22107	0.5
111.00891	30.8
112.01201	0.9
117.00459	1.8
121.02897	0.4
121.06549	0.6
123.04546	13.0
125.01005	0.9
130.59790	0.5
134.03725	0.5
139.02567	1.3
141.00452	2.8
141.04105	16.2
142.04182	0.8
143.02013	13.0
144.02103	0.8
148.01678	0.7
149.00970	4.7
149.06099	3.7
150.09309	0.6
150.98906	6.1
152.01173	1.3
164.88376	0.6
165.00461	1.8
165.05600	6.9
167.02029	3.8
167.03551	1.6
168.17029	0.6
168.99944	15.6
170.00069	1.0
179.03490	0.7
183.01543	5.2
185.03072	83.7
186.03194	3.9
192.99954	8.0
193.05008	3.2
194.93796	1.0
195.03036	2.9
196.99487	0.8
201.96007	1.0
210.07787	1.1
211.01004	100.0
212.01192	5.7
212.09335	0.7
212.98813	0.7
218.98647	0.6
236.98938	5.2
254.99950	16.6
255.05084	12.2
255.23315	15.6
256.00323	0.7
256.05814	0.9
256.08289	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	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32084	0.4
59.01375	0.4
65.97363	0.4
70.90572	0.7
73.62547	0.5
86.27821	0.4
87.00884	19.1
93.03429	0.5
95.05051	0.8
98.15778	0.4
98.46778	0.4
109.02972	0.7
115.00359	0.5
118.38986	0.5
121.02996	1.4
122.03797	3.2
123.04539	100.0
124.04893	2.1
131.05029	0.9
131.61949	0.4
137.02443	0.6
137.08720	0.4
145.08908	0.5
147.04547	1.0
148.05328	1.6
149.06100	22.9
150.03215	4.7
151.04001	1.6
164.04727	0.5
165.05586	13.4
175.04030	1.2
193.05072	13.2
195.03011	18.4
196.03351	0.9
209.08025	0.5
219.02957	1.3
237.04048	2.4
255.05124	49.5
255.23286	1.7
256.05499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.0
59.01383	1.7
67.01904	0.8
71.01395	1.4
72.99316	5.5
78.95919	3.4
81.03472	0.8
87.00886	22.9
93.03477	2.5
95.05032	1.2
99.00887	0.8
107.05035	1.8
108.02163	1.3
109.78400	0.6
111.00912	4.9
115.00362	1.1
117.00488	1.1
119.90696	0.6
121.02947	1.8
122.03744	3.6
123.04539	100.0
124.04877	2.1
124.98822	0.6
126.90375	1.4
131.05025	1.2
133.03012	1.1
136.12552	0.6
141.00482	1.5
141.04115	1.8
143.02010	2.5
147.04541	2.3
148.05330	1.9
149.01007	1.0
149.06102	24.1
150.03310	4.0
150.98927	1.1
151.04002	1.7
152.01169	1.0
165.05589	25.0
167.02159	0.7
167.03496	2.7
168.99976	3.2
175.04002	0.9
179.03557	2.5
183.01462	0.8
185.01572	1.2
185.03084	10.6
192.99948	1.0
193.05080	14.7
194.05292	0.8
194.93858	1.4
195.03009	20.8
201.95906	1.7
211.00987	14.7
212.00992	0.9
218.98633	1.4
219.03026	1.9
236.98975	1.4
237.03990	1.7
254.99858	2.2
255.05113	60.5
255.23291	12.7
256.05432	1.8
256.08246	0.9
264.08630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1142
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.03432	0.3
65.03951	0.4
67.01880	0.4
69.20306	2.1
69.50634	0.4
84.14063	0.3
85.02911	0.6
91.38536	0.3
94.16801	0.3
95.05046	1.8
98.21830	0.5
108.04556	0.5
115.67673	0.4
120.04553	1.6
122.03746	0.3
122.06110	1.3
123.04488	0.4
125.09753	0.5
132.04633	0.8
134.06131	6.6
136.07553	0.4
139.65256	0.3
142.87283	0.3
145.05356	1.5
146.06105	0.6
159.05679	4.0
160.06413	1.5
168.91771	0.3
182.06114	3.2
196.07669	2.4
197.08466	1.5
211.08795	0.4
211.13353	0.4
212.08911	0.5
212.10847	8.9
213.11006	0.4
219.10266	2.4
225.06705	2.0
226.07487	5.1
237.11363	1.6
239.06259	0.2
239.08272	6.5
240.09059	13.6
241.09506	0.3
255.11392	100.0
255.23277	5.0
256.11716	5.3
265.40652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87920	1.3
54.49196	1.3
55.01872	2.1
57.03433	2.6
59.01373	3.6
67.01875	1.8
69.03466	3.4
69.31248	6.6
71.01382	1.4
71.05026	2.2
81.03447	1.8
82.00014	1.3
83.01395	50.7
83.05030	8.8
94.09779	1.5
97.06593	1.9
109.06596	3.4
111.08177	1.9
113.06125	1.4
121.65092	1.2
123.04506	1.1
123.08130	1.6
125.09731	4.3
129.48694	1.3
137.09792	2.0
151.11288	1.3
152.91823	2.0
163.11316	1.4
165.12837	2.9
167.08647	1.7
167.14406	3.8
169.12378	2.6
171.10297	35.3
175.11273	3.4
183.13925	6.8
193.12352	68.6
194.12691	2.1
194.92680	1.7
211.13408	100.0
212.07236	1.4
212.13696	2.3
237.11246	2.0
252.99329	1.4
255.02936	3.5
255.12418	31.6
255.15947	6.4
255.23303	62.8
256.23676	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	259.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55362	1.3
55.01867	1.6
55.24534	1.3
57.03460	1.9
59.01377	6.5
65.03968	1.8
68.17413	1.4
69.03455	5.2
69.07254	1.7
69.62067	2.8
69.62453	4.6
71.01399	11.0
73.02951	2.6
78.95907	3.6
81.03464	5.3
83.01396	15.8
83.05033	51.3
85.02951	6.1
86.37531	1.5
88.04034	6.9
89.04365	1.7
93.03470	9.8
96.96968	4.2
97.02965	15.6
99.00892	46.0
99.04512	1.6
101.02477	9.8
102.05608	1.4
109.02989	3.4
111.00862	1.6
111.04537	95.9
113.02512	2.6
123.04562	2.4
127.04025	2.4
128.03543	1.7
130.08762	3.1
132.98254	1.7
137.02426	2.6
141.01990	2.2
155.03526	100.0
156.03831	1.5
159.03024	16.3
172.97615	2.3
173.01349	9.7
174.99324	1.6
194.85002	1.7
198.99268	29.7
199.02367	1.9
215.05646	5.0
217.00435	1.7
241.00496	2.0
259.01965	2.6
259.04550	13.4
259.12570	2.0
259.15097	2.0
272.47290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60806	0.9
55.01870	1.7
57.03447	2.3
58.00609	1.4
59.01379	4.5
67.07918	0.8
68.46413	0.7
68.99818	1.0
69.03458	4.3
70.62025	0.8
71.01392	12.4
71.05020	1.1
72.99323	1.0
73.02960	2.5
74.02449	0.9
76.90009	0.8
78.95918	3.1
79.01926	0.8
81.03468	5.7
83.01395	12.9
83.05033	50.3
85.02955	4.2
87.00861	1.1
88.04051	9.1
89.04404	1.1
93.03458	11.3
96.96971	3.8
97.02962	15.2
99.00886	44.2
101.02451	6.3
102.05623	1.5
107.05032	1.9
109.02961	3.9
111.00907	1.0
111.04528	98.1
112.04853	1.3
113.02471	2.8
118.92749	0.8
123.04557	4.4
123.47157	0.9
125.02462	0.9
125.06124	0.8
127.03961	1.2
128.03596	1.2
130.08737	2.9
135.04547	2.8
137.02455	3.0
139.04013	1.5
141.02003	1.8
141.05643	1.5
141.49826	0.9
143.07086	0.8
153.05583	1.2
155.03517	100.0
156.03818	1.6
156.98160	1.4
159.03006	12.3
167.03513	1.0
171.06633	1.0
171.14973	1.2
173.01337	7.1
174.99341	1.4
179.03465	1.3
196.97745	1.0
198.97531	1.5
198.99292	19.7
199.02397	1.7
215.05621	6.2
215.13968	1.8
217.00414	1.2
241.00462	1.5
241.11948	2.0
258.14703	1.5
259.01514	2.9
259.04623	16.6
259.12985	3.3
259.15314	1.6
260.02374	1.3
260.05026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0612
Annotation	3,3',4,4',5-Pentahydroxystilbene
Peak:m/z	Relative Intensity
51.55473	0.6
56.07188	0.6
60.65236	0.7
65.03979	4.0
67.01900	1.8
69.14426	4.3
72.61246	0.7
74.10803	0.6
79.61816	0.7
91.01886	5.2
93.03466	89.7
94.03793	1.1
94.32403	0.7
98.21953	1.5
109.02962	53.1
110.03281	1.0
121.02968	17.4
135.00893	30.1
135.01933	1.5
136.01198	1.0
136.39139	0.7
153.01950	88.7
154.02277	1.9
165.01953	8.0
215.07158	1.5
241.05095	12.6
248.03694	0.7
259.06128	100.0
260.06442	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	259.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97535	1.0
59.01379	3.9
60.27594	0.9
71.01391	1.0
72.00913	10.1
74.02458	1.1
86.02485	59.6
92.05067	58.6
93.05405	1.0
94.30847	0.9
98.22698	1.6
99.00867	1.5
111.04432	0.9
115.03993	1.6
116.05076	62.6
117.05403	1.5
129.05843	3.7
130.06635	1.9
135.04503	1.9
142.06630	23.6
143.06050	1.1
144.08209	7.3
153.14107	0.9
154.06688	5.4
156.06927	6.2
159.03011	1.2
161.04742	1.0
169.07704	12.1
171.09290	60.4
172.09633	2.1
179.03566	1.1
201.05591	1.1
215.08263	100.0
216.08553	3.6
217.08653	2.7
217.10753	2.4
229.06229	1.2
235.33507	1.0
252.86754	0.9
259.02725	1.1
259.07248	16.7
259.11749	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	261.0881
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
52.69104	0.6
55.85698	0.5
56.91202	0.6
59.01386	6.3
65.12102	0.5
69.18858	3.6
69.90084	0.5
70.02986	8.7
72.04572	4.4
74.02482	100.0
80.67970	0.5
84.04547	1.2
87.28748	0.6
88.74188	0.4
97.63158	0.5
98.02489	23.6
111.04570	0.8
113.09563	0.5
116.03552	53.9
117.03884	0.7
128.03561	6.3
129.05586	3.2
130.08745	0.9
131.03790	0.6
132.04572	31.7
144.04596	6.4
173.07278	0.8
173.60202	0.6
174.06825	0.9
175.08794	1.1
201.06717	11.6
219.07640	2.9
219.12373	1.3
231.37743	0.5
243.07718	1.1
261.08817	22.8
261.12991	2.0
261.22119	0.7
262.08945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
58.00586	0.5
59.01385	22.2
67.49267	0.4
69.52056	0.8
69.52443	1.2
71.01390	12.3
72.04551	0.9
73.02972	0.4
82.02985	3.2
83.01392	0.5
85.02960	1.9
85.06596	21.9
86.06884	0.4
89.02459	10.5
98.02481	2.5
100.04050	0.7
101.02438	0.8
107.04996	0.5
113.02476	1.4
113.06094	1.9
115.07668	0.8
115.08773	0.8
118.74937	0.4
119.05048	2.9
119.33217	0.4
129.05553	0.5
131.07155	100.0
132.07512	1.5
136.07697	3.4
149.04585	1.0
167.39877	0.4
173.08206	0.8
202.08748	0.8
220.09831	0.8
246.07709	0.7
261.04947	0.5
263.11377	52.2
264.08765	3.5
264.11713	1.5
265.43765	0.4
266.85718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1138
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
52.08147	1.0
55.01889	9.6
57.03447	6.0
57.18640	1.1
58.00611	1.4
58.66067	1.0
59.01383	100.0
68.05183	1.0
69.03445	1.1
69.56493	3.1
69.56882	2.2
71.01386	97.7
71.05020	1.3
72.01702	1.8
72.99303	2.6
73.02952	29.9
75.00874	2.5
83.01396	12.1
85.02953	44.1
87.00859	3.9
89.02453	34.4
95.01379	7.9
97.02943	2.2
98.21929	2.2
99.00884	11.5
101.02450	77.3
101.14872	1.1
102.02761	1.3
104.91573	1.0
105.01945	2.4
113.02461	44.1
113.03244	2.5
119.03523	10.5
125.02456	2.2
129.01891	1.5
131.03513	1.4
143.03537	5.1
159.03017	9.6
161.04576	45.4
221.01361	1.7
245.07686	1.1
263.11438	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	263.1652
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.14160	0.4
53.81916	0.4
59.01384	28.0
61.52541	0.5
69.08187	3.5
86.69396	0.5
97.06616	1.2
98.21793	0.9
101.02467	0.5
106.04248	0.5
107.05026	0.6
119.05060	0.7
120.05811	0.8
121.02979	0.5
147.08237	0.6
148.08955	4.6
149.09727	1.8
150.10532	0.6
151.11292	1.6
163.11298	7.5
165.12857	40.8
166.13139	1.2
183.04480	1.3
189.12860	3.7
191.14421	13.2
217.15878	0.9
219.17552	13.5
220.17792	0.7
227.14485	0.6
243.93851	0.5
245.15494	4.2
263.00388	0.7
263.16534	100.0
264.16870	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	263.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.0
59.01378	7.7
69.40105	6.0
69.40500	4.3
76.05719	2.1
95.05035	7.1
97.06592	31.0
111.08205	2.4
121.10255	15.1
147.08162	4.7
157.08739	10.1
165.12923	2.2
181.08679	2.2
186.19493	2.4
197.20633	1.9
197.65479	2.5
219.17592	6.7
245.15321	2.7
263.16550	100.0
264.16769	5.3
278.91696	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	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16795	0.4
52.77835	0.4
54.72041	0.4
56.89255	0.4
59.01382	0.8
69.39310	0.6
69.39706	1.0
70.24422	0.4
80.63158	0.4
97.02886	0.4
97.06622	0.6
111.08169	1.4
121.10277	0.6
123.08195	0.6
123.57501	0.4
147.08101	0.6
160.08949	5.8
162.10510	4.0
165.12862	0.6
185.82585	0.4
194.09563	1.1
205.15985	6.1
217.16057	2.0
219.17560	11.1
233.15370	0.5
235.17059	6.9
241.16315	0.4
245.15486	3.2
250.15764	0.7
263.16541	100.0
264.16888	4.4
271.44867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
58.81948	0.8
59.01393	8.1
61.98833	0.9
67.01883	1.5
67.07860	0.8
67.57542	0.8
69.03461	1.6
81.03460	1.0
83.05035	4.2
93.03474	1.8
95.05037	4.6
109.06618	1.0
111.08173	39.2
112.08488	1.0
113.92013	0.8
121.06605	1.2
123.08198	1.8
137.09721	8.9
149.09727	10.6
151.07625	1.1
151.11310	1.0
161.09804	1.0
165.12843	1.5
167.10822	5.7
201.16545	1.0
219.17551	25.0
220.17949	1.2
245.15529	3.6
263.16544	100.0
264.16864	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	263.1654
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
59.01385	27.0
64.67039	0.4
69.79242	0.8
70.02428	0.4
80.02665	0.4
86.32700	0.4
90.85337	0.4
93.03432	0.4
95.04999	0.8
97.06586	0.9
98.22611	0.4
99.79750	0.4
106.04230	0.7
109.06564	0.6
116.20719	0.4
119.04968	0.6
120.05812	0.6
135.08153	0.5
136.91669	0.4
139.33986	0.3
147.08160	1.0
148.08948	4.4
149.09721	1.3
151.11314	2.0
163.11302	8.2
165.12856	36.4
166.13184	1.5
177.12854	0.5
189.12830	2.9
191.14423	14.9
192.14766	0.7
203.14316	0.5
219.13980	1.3
219.17543	12.7
227.14388	0.7
245.15474	4.8
263.16531	100.0
264.16876	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	264.0879
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
55.81276	0.7
56.55586	0.9
58.03644	0.7
58.62024	0.7
59.01373	2.0
61.38406	0.9
69.36483	3.4
71.01379	2.3
72.04555	29.3
76.98217	0.7
82.02991	91.2
83.01411	2.1
83.03352	0.8
85.06614	0.9
86.06913	1.3
89.02464	1.2
98.02488	65.5
98.22660	1.5
100.04059	21.3
106.04233	1.4
107.05040	7.7
110.02540	0.9
119.05038	88.7
120.05391	2.1
126.01997	2.4
131.07141	4.8
132.07484	6.6
134.03683	0.8
136.07693	100.0
137.08022	3.0
141.87923	0.8
160.67975	0.8
202.08763	24.2
203.09023	1.4
207.20169	0.9
218.08286	8.9
220.09807	26.4
246.07750	14.4
247.19041	0.8
264.08823	84.4
264.11676	7.6
265.09140	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	264.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47495	0.4
61.02853	0.4
64.33497	0.4
64.88341	0.5
66.56783	0.4
69.12995	2.1
69.13404	0.9
70.53539	0.4
84.04556	0.6
85.02954	0.8
91.05540	4.8
97.52549	0.4
102.05619	64.0
103.05965	0.7
118.25571	0.4
128.03555	54.0
129.03923	1.2
134.03743	0.6
135.04536	3.3
137.86107	0.5
146.04611	100.0
147.04967	1.6
202.40395	0.5
220.09776	1.6
246.07600	0.7
264.08798	15.1
264.11752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0933
Annotation	tubercidin
Peak:m/z	Relative Intensity
57.03453	2.9
58.00605	1.0
59.01386	58.4
64.54102	0.4
65.99858	0.6
71.01387	25.2
71.05032	1.3
71.39896	0.6
72.99305	1.0
73.02967	1.9
75.00887	0.6
80.96532	1.1
82.02998	1.0
83.01409	1.8
85.02959	24.3
87.00900	1.4
87.04520	0.5
89.02456	27.6
95.01410	1.9
96.96049	0.5
98.02485	1.3
99.00901	0.5
99.04532	0.4
101.02457	15.6
102.42957	0.4
103.04026	31.3
113.02460	9.3
115.04038	1.7
117.05595	0.6
119.03521	8.8
130.08794	1.0
131.03510	0.5
133.05063	1.4
134.04785	0.6
137.08339	0.8
143.03513	1.3
145.05098	1.8
161.04550	1.2
165.06757	0.9
179.05659	1.7
190.94307	1.1
221.06653	0.5
222.02199	0.5
222.04117	1.1
254.67229	0.4
265.09311	100.0
266.02917	2.1
266.09634	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30138	0.7
55.01882	7.2
57.03454	3.6
59.01383	100.0
60.01711	0.8
68.99862	0.7
69.34851	2.7
71.01387	63.3
72.99310	1.3
73.02953	26.0
75.00877	1.6
80.36795	0.6
80.96534	1.3
83.01397	12.5
83.73824	0.6
85.02960	31.5
86.76299	0.7
87.00890	3.4
89.02449	11.2
95.01407	5.4
97.02975	1.6
99.00882	8.6
99.67558	0.7
101.02452	58.3
102.02818	0.7
103.07671	3.3
111.00897	2.1
113.02463	26.0
115.03989	0.7
119.03500	3.3
125.02485	1.8
129.01906	1.5
134.04730	8.9
141.08662	0.8
143.03514	3.2
159.02995	6.8
161.04570	28.2
179.03349	0.7
215.54828	0.6
223.08269	6.0
265.09695	1.5
265.12933	14.5
266.13358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.9
57.03450	6.7
58.92302	0.9
59.01385	100.0
60.01719	1.0
62.77456	1.0
68.01324	1.0
69.17400	4.7
69.17828	1.6
71.01388	70.8
72.99322	1.4
73.02953	31.7
75.00875	1.5
83.01395	13.9
84.02168	0.9
85.02958	37.4
85.03478	1.9
86.00156	1.0
87.00889	4.2
89.02446	9.1
90.09290	0.9
94.72614	0.9
95.01404	5.9
97.02968	2.4
98.21906	1.8
98.77891	1.0
99.00887	9.6
101.02454	71.3
103.07673	3.1
111.00880	2.6
113.02455	33.8
114.02758	1.3
119.03519	4.1
125.02435	1.5
129.01996	2.0
143.03500	3.2
153.76926	1.1
159.03006	9.7
161.04570	35.8
162.04970	1.4
175.17017	0.9
222.64279	1.0
223.08275	3.6
229.21068	1.0
265.12909	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	265.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87305	0.8
54.13096	0.9
57.03454	12.5
57.79919	0.9
59.01383	12.6
65.15926	0.9
69.03448	1.1
71.01402	2.0
72.88791	0.7
73.02941	1.6
73.39618	0.8
83.05048	7.2
84.02171	9.4
85.02956	3.2
93.07126	0.9
95.05032	1.4
96.02184	2.4
96.96031	3.5
97.02951	3.5
97.06588	3.4
98.03745	15.7
107.05050	1.0
108.02185	4.0
109.06599	6.4
111.08129	1.4
113.06157	0.8
114.17863	0.7
121.06652	4.7
122.03737	1.3
123.04506	1.2
123.08170	3.3
125.06073	1.8
126.03191	1.7
133.06630	1.3
135.08174	7.2
137.06084	1.2
137.09729	5.0
139.07675	3.9
139.11299	1.3
149.09724	2.5
151.11319	0.9
153.09212	3.1
161.09756	1.3
163.07640	1.8
163.11391	1.2
175.11269	2.1
177.09189	1.2
177.12848	2.9
179.10847	1.4
185.09718	1.2
187.11302	1.7
193.05223	1.5
193.12311	4.8
195.13913	5.7
199.11424	1.4
201.12852	1.1
203.10828	2.7
205.12343	5.1
207.13875	2.1
208.11082	1.0
209.11873	2.7
209.15527	1.9
209.37849	0.8
217.12283	1.5
219.13890	8.6
221.08208	2.0
223.13420	74.1
224.13763	3.4
227.95178	0.8
235.13402	3.7
237.14992	65.9
238.15327	3.2
247.13358	4.0
265.07819	5.6
265.14478	100.0
266.14890	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	265.181
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
50.31385	1.7
52.82974	1.7
54.48891	1.5
59.01377	16.6
71.01382	2.1
71.05033	10.8
81.97267	1.6
83.05022	3.3
96.96006	7.2
97.06577	1.9
98.22650	2.9
132.45992	1.9
135.11900	1.9
149.13383	2.3
163.14937	7.3
175.14867	2.1
181.12386	2.2
193.12360	1.8
193.67291	1.8
203.18077	10.9
207.11964	4.0
207.13924	82.4
208.14272	2.0
210.55299	1.6
228.76025	1.8
247.17064	55.2
248.17432	2.6
258.23108	1.7
265.07330	1.8
265.14871	5.6
265.18100	100.0
266.18350	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	265.1811
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.63095	0.6
55.74715	0.6
57.03437	0.7
59.01386	7.2
68.85813	0.5
69.03459	2.2
71.01392	1.0
73.88765	0.5
83.05032	1.3
95.05051	0.6
96.96022	1.4
97.06555	0.9
102.79487	0.5
107.52891	0.6
111.08170	1.9
115.92686	0.6
149.09743	3.5
149.13376	1.4
151.11311	2.2
155.07217	1.2
167.10796	48.9
168.11279	1.8
177.09244	1.6
177.12790	0.7
195.10301	11.6
203.18069	4.1
210.98851	0.5
228.10004	2.2
229.15796	0.7
237.18538	1.2
247.17050	17.7
248.17253	0.7
265.18109	100.0
266.18423	5.5
286.84439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1812
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01382	13.1
60.56963	2.0
69.00478	1.9
69.83270	6.0
69.83611	2.0
70.97878	1.8
71.05031	11.3
96.96032	12.3
119.52747	2.8
149.13391	3.2
160.17667	2.0
163.15007	2.9
193.12308	2.4
195.13879	2.6
203.18112	7.2
207.13922	44.1
247.17035	30.5
259.31293	2.1
265.12305	5.2
265.14883	8.1
265.18112	100.0
266.18463	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	266.0898
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01385	1.0
65.01469	0.3
70.27525	0.2
71.01395	0.3
71.41109	0.3
72.99326	0.2
80.02570	0.2
85.02940	0.2
92.02551	1.8
97.49254	0.2
100.98835	0.3
101.02453	0.5
103.92002	0.2
104.22387	0.2
107.02926	0.4
107.03652	6.3
121.02959	0.2
123.04546	0.4
128.98322	0.5
134.04749	100.0
135.05251	0.9
137.02454	0.6
151.02663	0.5
176.05835	0.3
178.08769	0.4
193.01408	0.2
204.06798	0.3
248.05634	0.2
266.08948	8.9
267.09329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17311	0.5
59.01380	6.5
67.69086	0.4
71.01390	1.8
72.99316	3.5
73.02940	0.5
74.49397	0.5
75.00882	5.2
75.70232	0.5
78.25303	0.4
78.95916	1.5
80.96522	4.0
85.02955	1.0
87.00885	2.0
89.02451	1.9
96.96017	2.2
96.96948	2.3
97.80631	0.6
101.02439	1.2
105.01944	100.0
106.02296	0.7
108.04544	0.5
109.02961	0.8
113.02443	1.0
119.32780	0.5
133.02963	8.8
134.03783	0.9
135.02794	0.6
135.04526	6.3
136.01688	1.0
136.03050	0.6
137.02390	0.6
138.05594	0.5
146.03694	0.6
151.04019	1.9
160.04021	0.9
161.02454	34.4
161.06050	1.0
162.02913	1.0
163.02631	0.5
172.07643	0.7
173.08040	1.9
178.08759	0.7
179.03499	2.8
179.09097	1.4
191.02174	1.1
195.08224	0.8
196.05392	0.7
211.07799	1.1
221.03346	1.6
221.06206	0.5
239.07188	1.7
248.54185	0.5
267.04865	1.1
267.07233	3.6
268.03754	0.5
268.09909	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	267.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28714	0.3
55.52675	0.3
58.16334	0.3
59.01383	2.9
71.01348	0.3
72.99318	2.8
75.00872	5.7
80.96523	0.9
85.34293	0.3
87.00878	1.0
87.24401	0.4
96.96024	1.2
97.01746	0.3
98.21871	0.7
101.02438	0.3
105.01940	100.0
106.02280	0.6
109.03008	0.6
113.02475	0.6
132.02203	0.4
133.02960	7.7
134.03711	0.3
135.04543	6.0
136.01616	0.5
151.04002	0.9
161.02454	35.5
162.02771	1.0
164.03606	0.3
179.03456	2.2
189.41586	0.3
195.04601	0.5
196.05234	0.5
198.13708	0.3
209.06161	0.4
211.07689	1.0
221.06157	0.6
223.07741	0.5
224.04803	0.9
238.06462	0.4
239.07129	1.5
249.05652	0.5
267.07129	2.3
267.09467	0.4
269.88580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90920	0.3
59.01377	2.8
69.35104	1.8
72.99313	3.0
75.00875	5.0
90.67806	0.3
105.01943	100.0
106.02282	1.0
132.02133	0.4
133.01939	0.3
133.02963	9.4
135.04546	6.4
161.02457	38.4
162.02699	0.8
179.03525	1.9
195.82239	0.4
196.05254	0.5
211.07617	0.5
236.99165	0.4
238.50299	0.3
239.07170	0.6
267.05124	1.3
267.09125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
57.03458	5.9
59.01382	100.0
59.40135	1.1
71.01385	70.2
71.85637	1.0
72.01712	1.0
72.99291	1.3
73.02956	23.2
75.00878	1.8
79.85120	1.1
83.01394	8.6
85.02468	1.8
85.02956	31.3
87.00879	3.7
89.02449	33.4
95.01399	5.4
97.02959	1.2
99.00878	6.6
101.02447	63.9
102.02782	1.1
105.05594	12.4
113.02464	27.2
119.03513	13.5
125.02503	1.3
129.01971	1.7
143.03479	2.4
149.04561	1.3
159.03011	5.4
161.04576	33.6
163.62242	1.0
170.65952	1.0
179.05577	3.3
267.10886	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82668	1.0
69.60561	3.8
79.78884	0.9
98.21977	1.0
103.76955	0.8
103.92010	1.2
110.02527	1.1
115.90791	1.0
118.17737	1.1
121.01727	10.5
122.02551	4.7
138.05634	5.8
149.01201	100.0
150.01636	1.1
164.03532	16.1
168.32195	1.0
181.03831	17.7
196.06183	32.6
242.91565	0.9
258.39935	1.1
268.03754	4.1
269.04611	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	269.1298
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
56.11055	0.7
59.01377	1.2
65.00312	1.3
66.76749	0.7
80.25681	0.6
88.92641	0.6
90.89960	0.6
94.02979	1.1
120.04580	3.8
121.02940	0.7
132.98206	0.7
136.07689	1.0
163.60286	0.6
165.89209	0.6
171.04539	0.8
186.95609	2.7
211.08710	1.5
225.06966	1.0
225.10277	3.0
226.12386	2.4
236.09482	0.6
239.08304	3.5
240.09001	1.0
241.05150	1.6
241.09529	1.0
241.13509	4.5
251.11870	1.1
253.09801	2.9
254.10593	3.5
269.04733	9.0
269.12964	100.0
269.17697	2.5
269.21143	2.8
270.13269	4.4
283.56500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1298
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
59.01366	0.2
62.96425	0.4
65.08265	0.2
94.02994	0.9
107.92289	0.2
108.04554	0.2
120.04568	3.0
132.04652	0.3
134.06148	0.8
136.07660	0.9
146.06145	0.3
150.09195	0.3
152.01245	1.0
154.06342	0.5
167.14435	0.4
172.07681	0.2
174.07996	0.3
186.95624	0.2
196.06328	0.3
197.07170	0.2
198.12953	0.3
199.08646	0.4
210.09396	0.5
211.08781	4.0
211.13420	0.5
212.05881	0.2
212.09312	0.3
213.10356	0.3
214.12355	0.3
224.05981	0.4
225.06734	0.8
225.10352	6.7
226.11067	1.9
226.12677	0.7
232.60780	0.2
236.09598	0.6
239.08266	5.0
239.11937	0.4
240.09001	0.9
241.13481	4.0
242.11874	0.3
251.12114	0.5
253.09839	3.3
254.10617	15.5
255.10953	0.4
267.11426	0.4
269.04593	1.6
269.12961	100.0
270.13293	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	270.0409
Annotation	Arolycoricidinol
Peak:m/z	Relative Intensity
50.00336	0.1
52.94041	0.1
65.99851	0.8
66.03488	0.7
69.86129	0.4
78.03500	0.5
78.53397	0.1
83.01379	0.1
89.54397	0.1
93.03464	0.6
94.03002	1.6
95.01385	0.9
101.04001	0.1
107.01411	0.6
108.02217	0.2
115.05535	0.2
118.03003	11.0
119.03365	0.3
119.39754	0.1
121.01705	0.3
122.02495	10.9
123.00903	1.5
123.02862	0.2
129.03452	0.1
129.52315	0.1
131.05025	0.9
134.02478	0.8
142.06683	0.1
143.05078	0.1
149.01212	0.1
150.01981	14.3
151.00375	0.1
151.02306	0.3
152.03987	0.1
152.05080	0.6
154.06657	0.1
157.02951	0.3
158.04926	0.1
158.06148	0.3
168.04552	0.2
170.06126	6.2
171.04494	0.2
171.06482	0.3
174.05627	0.2
180.04625	0.2
181.05318	0.5
182.06143	1.1
183.03180	0.2
183.04607	0.1
184.04050	0.4
196.04048	0.8
197.04823	2.2
198.05618	10.2
199.04181	0.2
199.05971	0.3
208.04048	1.1
209.04825	4.2
217.36009	0.1
224.03561	0.6
225.01088	0.1
225.04337	6.9
226.05109	69.8
227.03465	1.3
227.05472	2.6
235.79190	0.1
241.03755	0.2
242.04688	0.3
243.08571	0.1
270.04095	100.0
271.04407	4.8
276.93912	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	270.041
Annotation	Arolycoricidinol
Peak:m/z	Relative Intensity
60.51617	0.1
62.82165	0.1
65.99851	0.2
67.85765	0.1
69.03445	0.4
69.22986	0.7
79.01912	0.2
83.58241	0.1
90.03494	0.4
93.03461	0.2
95.01387	1.1
97.02982	0.2
102.03497	0.5
107.01398	7.7
118.02999	100.0
119.02541	0.1
119.03332	2.1
122.02462	0.3
123.00893	0.3
124.01678	0.3
133.01697	0.2
134.02477	1.4
142.73987	0.1
149.01187	0.2
150.01974	0.4
154.06642	0.6
155.05005	0.2
156.04550	0.2
170.06136	2.3
171.04523	0.3
171.06360	0.1
182.06078	0.9
183.04480	0.2
197.04784	0.4
198.05606	6.4
199.03993	0.3
199.05817	0.3
208.04100	0.2
209.04765	0.6
224.03513	0.2
225.04286	0.9
226.05101	18.5
227.03456	1.6
227.05524	0.7
269.20856	0.2
270.04083	65.0
271.04413	2.8
277.44827	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	270.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45928	0.8
67.78970	0.8
91.04257	1.9
92.05074	6.8
93.03485	1.0
118.03001	100.0
119.03278	1.8
120.04596	3.9
122.56745	0.7
132.04614	1.3
135.03279	5.0
150.05611	17.1
194.06093	1.0
217.59480	0.8
231.68236	0.7
238.05112	87.4
239.05489	5.0
268.22876	1.0
270.04993	1.7
270.07687	15.9
270.21542	1.0
270.24429	1.1
271.22653	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	270.0775
Annotation	trans-2-(4-Methoxyphenyl)-3-(4-nitrophenyl)oxirane
Peak:m/z	Relative Intensity
53.29110	0.4
64.32000	0.5
65.99857	0.6
66.03490	0.5
69.08118	3.3
75.00856	0.6
78.03511	1.3
91.01909	3.6
93.03472	0.7
94.02963	1.7
95.01414	1.3
105.02193	3.6
106.03003	4.2
111.38862	0.5
118.02997	9.8
122.02489	9.9
123.00831	0.9
131.05038	0.5
134.02496	24.4
134.42813	0.5
150.01993	18.1
154.06604	2.4
155.45985	0.5
165.04358	2.6
166.06621	3.8
170.06148	5.4
181.05336	3.3
182.06151	4.1
183.06905	1.2
194.06117	2.4
197.04843	1.7
198.05632	9.2
199.06035	0.8
208.04056	1.6
209.04829	16.6
210.05623	41.2
211.06383	16.0
218.17346	0.5
224.03508	0.6
225.04329	6.8
226.05115	62.6
227.03493	0.9
227.05360	2.2
232.33934	0.5
236.03618	2.4
238.05115	84.4
239.05429	4.7
255.05389	3.2
270.04095	100.0
270.07706	90.8
271.04422	6.0
271.08054	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	270.1502
Annotation	Napropamide
Peak:m/z	Relative Intensity
57.37389	0.1
61.00433	0.3
73.10671	0.1
74.28443	0.1
106.44230	0.2
130.45294	0.2
150.32669	0.1
169.06610	18.4
170.06996	0.8
197.06099	100.0
198.06438	4.1
255.12671	66.6
256.13000	3.5
270.15024	24.9
271.06165	0.3
271.15326	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
65.00324	0.4
67.01892	2.6
70.14558	0.7
70.85588	0.3
78.91914	2.0
83.01395	0.4
86.08061	0.4
90.97157	1.5
91.66191	0.3
111.00892	24.3
112.01248	0.5
119.79890	0.4
132.98219	17.3
151.00162	0.8
156.98203	1.4
158.99806	1.1
166.96638	2.9
174.99268	2.9
184.97710	15.2
185.98174	0.5
198.99272	2.3
199.96364	1.2
201.00854	13.0
205.97363	0.4
208.97691	8.6
226.98766	100.0
227.99120	2.5
228.96725	0.4
252.94296	0.5
252.96719	3.3
270.97711	6.9
271.06287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
62.45462	0.4
65.00323	0.4
67.01891	1.8
68.99825	0.6
69.17451	0.4
70.28660	0.9
90.97137	1.7
98.22585	0.5
107.20795	0.4
111.00889	23.1
132.98212	15.6
156.98154	0.7
158.99776	1.5
166.96619	3.7
174.99207	2.9
184.97697	14.0
191.28452	0.4
198.99309	3.5
199.96471	0.6
200.37399	0.4
201.00838	11.9
201.82971	0.4
208.97678	8.3
218.26228	0.4
220.11237	0.5
226.98756	100.0
227.99181	2.3
228.96747	0.5
252.96678	3.8
270.97733	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	271.0825
Annotation	alpha-Arbutin
Peak:m/z	Relative Intensity
55.41425	0.2
59.79736	0.2
86.70264	0.2
87.00869	0.3
91.01864	0.2
98.02484	0.5
98.22596	0.6
108.02203	1.2
109.02962	100.0
110.03304	1.6
216.52962	0.2
225.02524	0.6
227.04149	0.6
241.05180	0.2
243.06612	0.3
271.03101	0.7
271.05881	0.4
271.08261	0.9
271.10968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1191
Annotation	Tensyuic acid C
Peak:m/z	Relative Intensity
53.82984	0.6
55.01849	1.3
57.03398	2.0
59.01333	2.6
71.01340	0.9
71.05027	6.5
73.02966	2.7
83.01340	0.7
83.05010	1.2
85.02920	1.7
86.03694	1.0
87.00827	1.0
87.04487	0.8
97.06608	4.4
99.00844	0.6
99.04479	1.8
101.02443	0.6
101.06052	1.8
108.04508	0.8
110.15475	0.5
111.68632	0.5
112.05282	1.1
115.04013	1.3
123.08129	2.2
125.06100	0.9
125.09745	12.3
135.08157	0.7
141.09236	5.6
143.10733	1.6
151.07600	0.6
153.09258	2.9
155.14404	1.3
163.11217	0.7
165.12880	6.0
169.66216	0.6
171.10243	2.5
181.12338	3.1
183.13919	3.2
191.10823	2.9
199.13396	0.9
209.11871	10.7
210.11951	0.6
225.11398	0.6
227.12915	100.0
228.06583	1.3
228.13179	3.8
228.74275	0.6
271.02557	2.8
271.06335	2.1
271.11926	31.5
271.15497	3.2
272.12329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
70.54891	0.5
77.87750	0.3
96.09483	0.3
98.22045	0.3
103.06342	0.3
111.00887	0.3
124.01620	0.3
135.21527	0.4
167.52654	0.4
196.91022	0.3
225.22279	4.6
226.98988	0.4
243.06725	0.3
253.21785	1.2
269.21198	0.9
271.06039	0.8
271.22812	100.0
272.23172	4.9
290.43509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0566
Annotation	Melandrin
Peak:m/z	Relative Intensity
50.57885	0.3
51.72352	0.4
56.84002	0.3
65.99833	0.5
69.28899	2.2
70.04723	0.3
76.01965	0.4
77.57555	0.3
81.03461	0.4
87.12205	0.3
94.02981	0.6
98.22610	0.8
99.71805	0.4
100.45000	0.4
105.02229	0.4
107.01390	0.9
120.04559	3.9
121.02942	0.5
122.02464	2.2
123.03276	28.2
125.02421	0.5
129.47031	0.4
134.02486	1.3
142.06627	0.5
144.04630	0.5
150.01974	23.2
151.02330	0.6
158.06117	0.4
159.04529	1.3
163.02759	1.0
172.07671	0.7
184.07721	0.8
186.05502	0.4
187.03941	0.4
188.64265	0.4
200.07184	5.5
209.04788	1.1
210.05536	2.2
211.06401	1.9
213.04381	0.8
214.05843	0.4
222.39711	0.4
226.05099	10.0
227.05751	1.4
228.06670	100.0
229.06985	4.1
247.65529	0.4
254.04541	1.6
271.02466	0.7
272.03085	3.6
272.05643	73.7
273.05865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31849	0.6
59.01386	0.9
69.12054	4.0
71.13976	0.6
73.04094	0.5
73.23022	0.6
81.03458	0.7
83.01393	3.4
83.05027	1.0
84.02173	2.0
97.02956	0.8
97.06561	0.7
98.22637	1.0
106.29478	0.6
107.01353	0.7
125.09729	4.2
127.11283	1.0
135.08211	0.6
163.11346	2.0
165.12791	1.3
171.10278	4.9
176.30287	0.7
187.04019	1.1
190.02571	0.8
191.10857	3.6
201.01997	3.3
209.11813	4.1
211.13414	0.8
216.04277	3.1
223.13394	1.4
226.12157	2.0
229.05103	1.3
241.14502	1.8
243.16127	1.1
245.08214	6.4
264.19073	0.7
273.07767	5.0
273.17102	100.0
274.17477	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	274.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05232	0.7
59.01384	1.4
71.01379	1.0
71.42901	0.8
73.04065	0.9
74.02484	3.0
85.02919	0.7
89.02449	2.0
89.03982	0.7
93.03461	2.4
97.14572	0.6
99.00895	0.7
105.03481	1.2
107.01364	0.7
108.02194	1.5
109.02957	5.3
110.06130	0.9
111.00842	0.7
112.04058	45.6
113.04385	0.7
116.07181	1.1
116.92863	1.8
117.03482	9.9
119.01392	0.7
120.04524	0.6
121.02979	2.1
121.43867	0.7
126.90379	4.0
130.04228	0.8
130.06696	0.8
130.08772	0.8
131.05026	1.2
132.02147	1.1
133.02985	2.8
135.95657	1.0
136.01678	6.8
137.02458	72.1
138.02821	1.3
143.01382	2.2
143.11919	2.5
147.04544	1.2
156.05803	5.0
158.03702	0.7
158.06154	2.9
158.09706	0.8
160.01682	1.2
161.02444	4.6
162.05620	0.8
164.07211	1.1
172.05374	1.2
173.02408	1.0
174.03181	1.3
174.09245	2.0
174.99187	0.8
176.07166	1.3
180.12761	0.7
181.90967	3.2
185.02448	19.7
186.03168	0.7
186.09251	32.5
187.09561	1.1
188.07156	1.4
192.95827	1.2
199.03969	1.8
199.11031	0.7
200.04771	5.8
200.14027	1.4
201.05423	1.2
202.08755	14.6
212.07246	0.9
215.02473	1.3
215.05876	1.1
229.96135	1.8
230.08243	10.6
244.13063	1.6
246.07693	4.2
268.88013	0.6
273.97293	5.3
274.07217	100.0
275.07620	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	274.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
70.17705	0.4
70.98018	0.6
114.05633	0.5
121.01698	0.8
136.00356	0.5
143.07159	0.8
148.04089	4.3
149.01195	4.7
150.01950	2.2
150.03191	0.9
156.70064	0.4
160.04056	0.6
162.01997	1.1
168.39261	0.4
175.02708	0.4
176.03552	39.6
177.04330	100.0
178.04674	2.9
210.15649	0.4
217.03874	1.4
274.10953	2.1
275.11417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00165	22.9
69.15038	100.0
69.15442	40.6
79.03740	25.4
91.62912	27.1
106.11195	23.7
121.02953	38.4
152.91756	31.5
184.50793	25.6
194.92792	42.7
199.92488	24.0
243.13168	24.0
276.16080	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	277.123
Annotation	Pantetheine
Peak:m/z	Relative Intensity
50.60625	0.4
54.84478	0.4
57.05567	0.4
58.02975	3.7
59.01384	5.4
70.02984	13.4
71.01392	1.6
71.05025	25.9
71.40764	0.4
72.00919	0.7
72.05376	0.5
73.02959	0.4
85.02937	0.7
87.05642	7.0
97.04090	0.6
98.22588	0.5
99.04530	7.1
101.02473	0.6
109.02969	0.6
109.87138	0.4
110.02539	0.5
113.02460	0.6
115.05138	1.6
116.07195	3.8
129.05603	1.6
129.61986	0.4
130.03331	10.9
130.04308	0.6
146.08247	100.0
147.05984	5.6
147.08604	1.9
167.22743	0.4
174.06847	0.5
191.07564	0.4
217.11946	26.4
218.12286	1.2
243.13499	0.9
263.04572	0.4
275.40039	0.4
277.12292	38.9
278.06561	0.6
278.12659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1296
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
51.40265	0.7
55.01867	0.6
56.53783	0.6
57.21926	0.6
59.01386	48.1
65.69688	0.6
69.24998	2.9
71.01388	12.4
73.02955	0.9
74.99110	2.3
83.01410	0.8
85.02947	2.8
87.00854	1.8
89.02454	13.2
90.98591	2.1
99.00874	0.8
99.08168	25.5
101.02452	2.7
113.02476	2.1
121.02960	1.4
127.05897	3.6
127.07684	5.1
129.09280	1.2
130.06636	1.8
130.28165	0.7
131.03523	0.8
141.09225	1.0
145.06870	2.7
145.08722	100.0
146.06093	0.9
146.08162	1.0
146.09164	1.6
149.04628	1.2
163.07651	1.2
174.05652	1.6
179.00221	0.9
187.09808	0.9
189.05820	1.1
215.07338	1.0
233.08293	1.5
235.11877	1.9
273.41458	0.8
277.12976	52.0
278.13403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74478	0.4
57.03469	0.6
57.42811	0.4
59.01382	59.1
60.01719	0.3
71.01386	15.3
72.99331	0.6
73.02957	1.5
83.01417	1.0
85.02969	3.1
87.00895	0.8
89.02451	12.5
90.98596	0.6
97.06621	0.8
99.08168	28.5
101.02445	2.9
113.02455	2.0
115.07687	0.4
121.02982	0.4
127.05899	1.0
127.07667	5.3
129.09265	0.9
130.06667	1.1
130.08780	0.5
131.03519	0.9
138.05870	0.4
141.09273	0.7
143.07166	0.5
145.08722	100.0
146.03789	0.4
146.09085	1.5
149.04594	0.7
161.04533	0.4
163.07652	0.4
164.26561	0.4
174.03271	0.6
174.05672	0.6
181.50287	0.4
187.09843	1.1
189.05621	1.3
205.08820	0.5
235.11826	2.5
245.41200	0.4
277.12946	58.8
278.13348	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1446
Annotation	alpha-Cehc
Peak:m/z	Relative Intensity
59.01378	9.2
69.95011	5.4
69.95377	4.7
71.05025	47.8
78.95923	3.5
83.05022	4.1
93.03480	2.6
105.79461	2.4
107.05032	4.9
109.06601	56.1
111.04530	13.2
121.02978	4.7
147.04578	2.9
147.08195	10.7
150.06941	2.9
152.91815	12.0
161.09734	21.1
165.09222	68.5
166.09596	3.3
169.05171	2.6
175.07658	3.6
177.12883	36.8
179.10875	2.8
183.52420	2.4
194.92795	18.0
215.14380	27.9
221.11844	2.7
233.15495	17.6
258.22260	2.7
259.13394	48.0
277.14487	100.0
277.17642	3.6
278.14966	4.7
280.73898	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1662
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01460	3.9
59.96798	0.7
60.97574	1.0
61.98920	0.7
67.71248	0.6
69.42683	0.6
98.22692	1.2
103.02289	1.2
121.03265	4.4
125.68831	0.6
134.89496	1.6
146.99609	0.8
147.08475	4.3
152.91837	0.6
165.00471	12.4
191.05672	12.0
194.92944	1.4
205.07266	1.8
207.25639	0.7
217.07260	1.1
219.95619	0.7
231.08774	2.0
233.10362	100.0
234.10527	5.2
241.79378	1.0
251.11324	0.8
259.15591	1.3
277.16565	91.3
277.21667	5.3
278.16754	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	277.1812
Annotation	Fenoksan
Peak:m/z	Relative Intensity
50.35520	0.7
50.58218	0.8
57.03832	0.8
59.01384	1.5
61.98820	1.0
63.28934	0.7
69.70988	3.3
88.53383	0.8
98.83395	0.8
116.93661	0.9
119.24761	1.0
121.02966	1.3
122.51682	0.8
134.07407	0.9
134.89478	3.6
136.08926	1.2
149.09756	1.1
151.11296	22.2
152.91782	3.6
179.10846	0.8
194.92815	4.5
194.95558	1.0
206.82481	0.9
212.93811	1.1
233.15546	1.4
233.19116	11.9
241.79378	2.4
251.17490	0.8
259.17120	6.5
262.04639	0.8
277.18106	100.0
278.18442	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	277.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.9
59.85390	0.4
60.47416	0.4
69.06323	3.5
98.21814	0.8
100.55129	0.5
121.02953	1.1
127.07600	0.4
134.89442	1.3
189.75092	0.5
194.92767	0.6
205.15942	0.9
222.74043	0.4
233.22733	0.8
241.79359	0.5
277.18283	6.5
277.21744	100.0
278.19009	0.7
278.22086	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01389	3.0
65.64095	0.2
71.01383	0.5
78.30553	0.2
80.72903	0.2
121.02966	0.6
127.07659	0.3
134.89426	0.3
145.12415	0.2
181.12408	0.2
205.15981	0.6
207.13962	0.2
233.22725	0.4
259.20792	0.4
275.20236	0.5
277.21735	100.0
278.19043	0.2
278.22067	5.7
288.03000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.48108	0.5
55.77246	0.5
59.01371	1.7
70.32035	1.3
72.16402	0.5
86.70907	0.5
93.59174	0.5
103.97337	0.5
107.49893	0.5
110.96387	0.5
182.87653	0.5
259.20511	0.7
277.21744	100.0
278.22086	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	278.0672
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
50.99591	0.3
59.01386	2.0
68.99830	0.8
69.33337	1.9
70.02966	0.5
71.01392	5.7
72.00901	0.3
85.02970	0.6
88.04047	27.1
89.02456	0.5
93.03466	0.6
96.04585	0.4
96.99335	1.0
98.37260	0.4
101.02446	1.0
113.02467	0.5
114.01980	4.2
115.00388	10.8
116.00751	0.4
117.03510	0.7
119.05035	11.5
121.02983	1.8
123.04527	0.4
132.03038	100.0
133.03403	1.0
145.02940	2.8
145.06601	0.7
146.08218	0.8
147.04538	0.7
147.08501	0.5
150.05614	0.8
162.05608	1.3
163.04028	2.8
168.06671	0.6
169.06941	0.5
173.04739	0.6
175.06418	0.5
188.07129	0.9
189.05602	1.1
190.08711	0.5
202.08784	1.6
216.06660	0.6
227.55800	0.4
231.34711	0.4
234.07768	2.9
234.11337	0.6
246.11433	1.1
261.06412	0.3
263.04480	0.6
278.06699	6.5
278.12662	0.7
279.05225	1.3
279.23560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
65.24596	1.3
69.14529	10.0
71.01374	2.5
85.02953	1.4
85.33131	1.6
87.00889	24.8
95.62335	1.3
98.21873	2.3
101.02450	1.4
103.00383	36.1
103.05543	5.2
112.98803	1.9
119.05077	1.4
130.99893	18.2
145.08736	1.7
147.04535	74.2
148.04880	1.8
167.91858	1.3
193.54695	1.3
219.03069	1.8
279.13214	1.7
282.58081	1.3
283.38980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
67.84828	1.1
69.37685	5.9
72.99313	1.3
81.26364	1.3
87.00887	26.9
103.00381	40.0
103.05555	1.5
112.98821	2.5
124.05317	1.4
130.99875	14.0
139.07674	8.3
147.04539	35.7
149.16444	1.2
167.35286	1.0
168.07944	2.3
183.26463	1.2
203.83722	1.1
205.12311	1.8
279.12439	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	279.1088
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
51.53430	0.6
55.01907	0.9
57.03453	1.1
58.00603	1.2
59.01386	100.0
60.01727	0.7
64.13732	0.6
65.37409	0.6
69.64204	2.3
71.01389	44.4
72.99329	1.9
73.00747	0.8
73.02944	1.4
82.71722	0.7
83.01424	0.9
85.02958	8.0
87.00906	1.2
87.52044	0.6
89.02454	50.9
95.01383	3.9
96.00299	0.7
99.04551	0.6
101.02458	25.9
113.02460	16.3
117.05621	2.8
118.24849	0.7
119.03519	25.0
131.03542	2.0
143.03543	3.2
149.04564	2.0
161.04616	2.2
179.05682	2.7
240.01596	0.7
279.10873	29.0
279.23422	0.8
280.11130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1605
Annotation	brefeldin A
Peak:m/z	Relative Intensity
52.76852	1.5
57.03455	3.6
59.01389	9.7
67.01930	1.5
69.03452	2.6
72.28523	1.6
81.03481	4.1
83.05052	3.0
95.05029	2.4
97.02979	8.4
97.06559	2.6
98.21842	4.7
100.78465	1.9
109.06616	6.3
111.04515	2.1
111.08186	12.0
119.85040	1.6
121.06612	5.5
123.04548	22.1
123.08163	18.0
127.11308	4.7
127.59444	1.9
133.06648	1.7
134.89508	2.8
137.09773	1.9
146.07381	2.2
146.96062	2.0
149.06075	3.8
149.09766	9.8
163.11307	5.7
165.09206	4.8
171.10294	20.9
189.12888	6.2
199.14980	8.1
217.15984	70.6
218.16409	3.9
219.13818	2.2
233.15425	2.1
235.17004	3.7
243.14009	2.1
243.79399	1.8
261.14996	61.8
262.15308	5.3
279.12830	3.5
279.16049	100.0
279.19168	4.1
279.23248	5.6
279.91873	3.3
280.16360	6.2
291.02832	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1605
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
57.03450	6.0
59.01385	42.5
62.21832	1.5
66.35067	1.4
69.03482	2.0
71.01373	1.9
74.16131	1.5
78.86224	1.5
79.53252	1.5
81.03452	6.8
83.95314	1.5
95.05032	13.5
97.02963	32.5
97.06616	8.4
98.03757	4.6
106.26727	1.8
111.04546	2.3
113.06104	6.0
123.04532	2.6
123.08156	2.1
133.06587	6.1
134.89444	2.0
135.08124	7.8
136.89134	1.8
137.09724	5.5
138.06842	1.6
149.09743	10.9
151.07632	5.0
153.09174	2.5
161.09700	2.1
163.11311	22.1
164.71564	1.7
165.09290	3.6
175.11324	2.3
181.12366	28.0
189.12836	4.1
197.08257	2.0
217.15988	100.0
218.16263	4.6
233.15526	3.5
233.61913	1.8
235.16988	9.6
261.14987	54.4
262.15283	3.4
279.12729	2.4
279.16025	25.7
279.19235	2.9
279.23056	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	279.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01385	31.4
69.03461	2.2
71.01387	2.1
71.40885	2.2
72.22446	1.6
72.33559	1.6
73.28316	1.8
79.60026	1.6
80.96531	2.3
81.03482	4.7
88.58970	1.7
95.05053	8.3
96.96009	7.2
97.02954	13.4
97.06612	15.1
107.05066	2.3
109.06588	2.4
113.09724	2.7
116.91969	2.0
120.24013	1.9
121.06649	2.7
123.04561	3.2
125.09805	2.0
133.06609	7.3
135.08180	7.6
137.09740	7.5
149.09770	3.7
151.07692	2.7
153.09233	4.7
157.08730	2.6
163.07692	4.4
163.11295	30.4
163.12538	2.8
164.11589	1.7
169.25215	2.1
175.11275	2.0
181.12361	5.3
189.12866	6.4
190.13106	2.0
197.08234	4.1
199.14983	2.8
217.15988	100.0
218.16298	3.9
235.17039	4.6
261.14996	46.0
271.77118	1.7
279.12451	6.5
279.16052	28.4
279.19669	25.5
279.23236	6.8
280.33395	1.8
285.63754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13282	1.5
53.23719	1.4
53.89382	1.4
57.03452	1.5
59.01390	10.1
64.43338	1.4
69.03468	3.8
69.92905	1.6
70.52814	2.2
71.05025	11.2
77.00111	1.6
80.02651	1.9
81.03465	6.5
83.05010	9.1
93.13350	1.5
94.57554	1.5
95.05031	7.3
96.96017	8.0
97.06605	2.1
98.03711	4.3
106.04270	2.6
107.05035	2.4
107.08657	3.7
109.06597	32.3
111.04527	20.1
111.08124	3.2
112.05313	2.5
115.07677	2.4
121.06642	2.1
123.08170	6.1
127.07657	18.0
135.08170	4.0
145.06604	2.7
149.06076	2.1
149.09744	4.9
163.11279	18.2
167.10797	4.5
179.14410	4.8
182.09129	1.5
189.12738	1.6
217.16006	38.7
223.13379	4.5
259.13440	1.6
261.14984	100.0
262.15359	6.7
279.12686	4.5
279.15991	28.3
279.23325	6.8
280.16071	1.7
286.31137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2331
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01372	0.5
66.64411	0.3
69.45560	0.9
102.92294	0.3
107.69384	0.3
168.37851	0.3
279.23306	100.0
280.23682	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	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.1
68.88504	0.9
69.53770	1.0
71.87747	0.9
72.99309	2.6
74.79028	0.9
75.00879	27.4
89.02468	4.9
96.96017	2.2
117.01950	1.6
119.05042	59.9
119.74021	1.0
120.05366	2.4
121.02970	1.1
131.05106	1.3
135.03017	100.0
163.04028	83.6
164.04359	2.9
169.16408	1.0
278.89499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22052	1.0
52.22308	0.8
54.67767	0.9
58.68970	0.9
59.01389	4.6
69.19471	1.7
69.19880	3.6
71.01393	2.0
72.99334	1.6
73.02932	4.5
75.00881	8.9
80.96511	0.9
87.00886	7.7
89.02450	2.4
93.03476	1.3
96.96026	2.6
117.01960	10.6
119.05038	60.8
120.05346	2.3
133.02960	2.1
135.03018	25.2
135.04550	1.5
140.33224	0.9
145.02983	1.9
149.06107	1.4
149.18343	0.9
151.09137	0.9
161.02477	1.7
162.69043	0.8
163.04028	100.0
164.04350	2.5
165.57433	0.9
177.05627	1.6
179.03529	1.0
179.38159	0.8
191.03529	3.1
199.80592	0.9
281.06757	4.7
281.24792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1186
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
57.84319	0.3
59.67223	0.3
65.03957	0.7
76.22935	0.3
80.03836	0.3
91.05557	2.0
93.03484	0.5
112.74857	0.3
114.11184	0.3
119.05038	3.3
121.43529	0.3
123.00879	0.7
132.02109	0.5
133.06612	6.3
135.04543	3.0
136.04857	0.3
137.02444	2.7
137.09831	0.4
145.02980	0.8
146.03709	0.6
147.04535	1.9
148.05353	1.0
160.28795	0.3
163.04028	6.3
164.04811	73.1
165.05521	3.7
167.40427	0.3
196.08940	0.3
230.63771	0.3
240.07962	0.8
281.11850	100.0
282.12164	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	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48428	1.2
55.01890	6.2
56.04996	1.1
57.03440	2.7
59.01382	100.0
61.66290	1.3
67.53078	1.3
70.89120	1.2
71.01383	76.3
72.99287	1.3
73.02954	21.0
81.12684	1.2
83.01382	9.0
85.02953	30.7
87.00884	1.8
87.04526	4.3
89.02457	45.6
91.37860	1.3
95.01385	6.8
99.00858	6.1
101.02448	66.1
107.03666	2.6
108.02041	8.5
113.02459	36.1
119.03525	15.0
119.07165	14.0
126.03110	4.2
133.01573	19.9
143.03531	5.7
149.06139	3.6
150.04228	76.7
159.02979	5.3
161.04570	38.5
161.05675	0.8
179.05659	4.0
193.05139	1.7
243.06190	1.5
281.03305	1.3
281.12451	32.8
281.24966	2.0
282.08450	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	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
57.03451	2.1
58.00593	0.6
59.01383	54.1
61.67139	0.6
66.00998	0.8
67.82244	0.6
69.44881	2.8
71.01386	42.7
72.99334	0.9
73.02953	12.3
80.96549	0.6
82.04123	1.3
83.01398	5.0
85.02955	17.2
87.00880	2.6
87.04504	1.5
89.02450	21.2
95.01426	3.5
97.02989	0.8
99.00893	4.1
101.02452	36.8
107.03651	4.8
108.02060	8.7
113.02462	18.9
114.02875	0.6
119.03515	9.6
119.07147	9.1
125.02467	0.9
126.03134	4.5
131.03537	0.8
133.01576	29.0
143.03490	2.0
149.04561	1.2
149.06119	1.7
150.04227	100.0
159.02997	2.9
161.04567	18.9
179.05620	2.3
193.05170	1.1
235.99467	0.7
243.06346	0.6
274.24911	0.7
281.03442	0.6
281.12430	20.6
281.24863	1.3
282.08463	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03456	4.0
59.01387	13.8
59.01664	0.9
69.03490	2.8
70.68378	0.8
71.05059	3.4
75.24242	0.7
80.02721	1.4
81.03509	2.4
83.05064	2.2
84.02197	1.4
85.02968	1.2
95.01417	1.0
95.05046	6.8
96.02214	2.9
97.02953	4.7
97.06592	15.4
98.03783	1.4
99.04562	1.2
107.05125	0.8
110.03778	1.7
113.09718	4.1
123.08215	2.1
125.09743	2.0
127.07720	0.8
133.06612	2.8
135.08165	13.0
137.09796	2.9
143.07166	1.5
147.35275	0.8
149.09772	1.9
151.11278	10.3
151.12280	0.8
153.09247	4.8
154.10063	1.0
161.09764	0.9
163.11334	2.2
165.09225	7.4
165.12849	14.2
165.14107	1.1
166.10071	1.2
169.08739	0.8
177.12921	1.8
181.08731	4.3
183.10252	1.7
184.97275	0.7
189.12883	1.5
191.14407	4.1
195.10323	2.5
201.16420	1.5
219.17551	47.1
220.17911	2.2
233.75224	0.7
243.19159	0.9
245.15492	2.6
263.16534	100.0
264.16895	5.7
281.17593	61.2
282.17923	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03440	1.4
59.01381	9.5
63.10123	0.7
68.68073	0.6
70.76519	0.7
70.76875	1.2
71.01344	0.7
72.82758	0.7
78.95612	0.7
80.02674	0.7
81.46907	0.7
83.05021	2.3
95.05024	1.2
97.06583	4.0
98.03758	1.5
99.08150	1.0
111.08179	2.2
113.09732	5.8
115.07636	2.2
123.64296	0.7
125.06142	0.9
126.06911	1.8
127.07681	1.0
128.08501	0.8
129.87619	0.7
133.25800	0.7
135.08176	1.0
137.09766	5.5
139.07716	3.5
139.11307	4.7
141.09216	11.6
143.10817	0.9
151.11313	1.9
153.09215	3.5
155.10799	2.2
161.54224	0.8
165.09241	3.3
165.12851	18.8
167.10771	3.2
169.12259	0.7
176.12105	0.8
180.11525	0.7
181.08612	0.7
183.10275	3.0
191.14459	2.7
193.12323	1.3
201.16553	0.9
201.36214	0.7
209.18956	0.7
212.10608	3.5
217.15984	0.9
219.17546	16.1
223.04015	0.8
227.30753	0.7
237.18579	6.9
238.18954	0.7
239.57541	0.8
245.15443	2.9
253.18068	1.7
263.16531	34.8
264.16861	2.1
281.17593	100.0
282.17886	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	281.176
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
54.50110	1.2
58.30454	1.3
59.01140	1.2
59.01394	9.9
61.98802	1.7
69.03468	2.3
71.05025	1.5
79.48572	1.3
80.02684	1.3
81.03458	2.6
83.04997	1.6
85.02975	1.7
96.96021	5.3
97.02979	7.9
97.06610	2.9
109.06592	2.3
110.03702	1.3
111.04494	1.3
111.08156	4.0
114.20657	1.2
123.04577	2.7
123.08180	2.1
125.09782	1.5
126.91732	1.2
137.09764	3.8
143.07159	5.2
147.08141	1.4
149.09743	7.0
151.11301	11.5
151.79321	1.1
152.08432	1.5
153.09251	2.2
153.55888	1.2
155.10529	1.4
157.08713	1.8
165.12845	5.1
167.10764	7.7
191.14474	2.6
201.01567	2.4
202.00935	4.6
211.09766	2.6
219.17561	26.5
220.17798	1.9
237.18581	1.5
245.15472	3.8
263.16537	100.0
264.16815	5.8
281.14590	2.0
281.17593	54.0
281.24652	3.6
282.07736	1.3
282.17947	2.4
290.91522	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1761
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03445	1.7
58.00611	0.9
59.01382	4.7
69.03452	2.4
71.01376	1.4
77.09351	0.8
83.05031	1.0
83.30458	0.7
90.43983	1.1
93.07079	1.0
95.05023	1.6
95.47287	0.8
96.95994	0.9
97.02973	0.9
97.06581	1.2
109.06607	3.0
111.08169	48.6
112.08507	1.3
121.06554	1.0
121.10241	2.0
123.08194	2.4
125.06078	1.3
125.09747	9.5
127.07711	1.8
135.08139	1.0
137.09734	1.3
139.07629	1.7
139.11235	1.5
141.09254	5.0
147.11795	1.4
149.09775	1.5
151.07689	3.2
153.09213	4.2
155.10786	3.4
165.09225	1.5
165.12912	1.3
167.00594	0.8
169.08719	100.0
170.09064	2.3
171.10246	9.7
183.10286	12.7
193.08617	0.9
194.09630	0.8
197.11798	2.2
199.09738	6.1
201.16533	1.1
216.29955	0.8
219.17542	3.3
220.14565	0.7
235.17010	6.0
237.14989	3.8
245.15692	0.9
263.16522	16.1
263.20224	1.4
281.14594	1.3
281.17593	38.2
281.21173	12.8
281.24420	1.6
282.18042	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	281.1762
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
50.85468	1.1
57.03448	2.2
59.01385	3.6
66.83695	1.0
69.53874	4.5
83.05045	1.2
87.84295	1.0
95.05062	1.2
95.17080	0.9
97.06606	3.3
98.03728	1.0
98.21943	2.3
106.97655	1.0
109.06598	1.7
111.08176	4.7
113.09710	1.3
123.04504	0.9
123.08200	7.6
125.06120	2.4
125.09729	12.3
127.11317	6.1
137.09720	2.4
141.09201	2.8
143.10797	1.2
151.07698	1.9
151.11311	2.0
153.09288	3.9
155.10785	10.6
165.12856	3.2
169.08661	1.5
169.12276	1.1
171.10300	2.5
183.13892	2.9
189.56520	1.0
198.08977	1.3
199.09792	1.1
200.10617	2.6
207.31688	1.0
209.19159	1.8
217.15923	1.5
219.17560	34.7
220.17879	1.3
237.18567	11.5
245.15468	3.6
253.18098	1.7
263.16525	29.8
264.17117	1.4
277.63879	1.1
281.17615	100.0
282.17984	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	281.2124
Annotation	3-Epilitsenolide D1
Peak:m/z	Relative Intensity
56.73331	2.7
69.03476	8.2
70.50940	6.1
71.05028	9.5
78.94662	2.9
89.22272	2.4
122.58382	3.1
172.54823	2.7
231.74763	3.0
235.20760	3.9
237.22260	100.0
238.22559	5.4
271.81726	2.7
281.21268	60.7
282.21530	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2488
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
69.83585	6.1
73.83181	2.0
98.22636	1.9
134.94826	1.7
192.34454	1.7
220.24887	1.9
265.27106	2.1
281.24893	100.0
282.25226	6.0
288.22769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0847
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.91436	0.2
59.01382	4.4
60.01716	0.3
66.00988	0.7
66.91289	0.2
69.59093	0.7
71.01383	1.9
72.01731	0.5
73.02956	0.7
82.04111	1.2
82.78777	0.2
83.01402	0.2
85.02970	0.5
86.03294	0.3
89.02477	1.1
90.02770	0.5
101.02457	1.6
102.02792	0.4
102.84595	0.2
107.03641	4.4
107.97921	0.2
108.02046	9.9
113.02452	0.6
114.02789	0.3
119.03484	0.3
119.07189	0.2
120.07509	0.2
126.03107	5.1
129.16614	0.2
133.01575	29.4
150.04225	100.0
151.02661	4.0
151.03764	0.2
151.04671	1.5
161.04559	0.5
162.04926	0.5
163.00349	0.4
164.05861	0.2
165.04198	0.7
166.05156	0.2
192.05313	0.3
193.03714	0.3
223.08275	0.6
268.03802	1.6
282.08450	23.6
283.06561	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	283.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03444	0.5
58.99609	22.6
59.01387	10.4
59.26191	0.5
71.01385	11.2
71.93446	0.4
73.02951	2.7
83.01371	1.2
85.02958	5.4
87.00883	11.5
89.02445	4.4
95.01393	1.2
96.26941	0.4
98.21905	1.2
99.00884	0.8
101.02460	6.1
102.98606	100.0
110.00115	0.6
113.02471	4.2
117.03497	1.0
119.03522	1.7
120.99657	0.6
122.06110	0.4
124.68755	0.5
135.00880	0.5
137.51102	0.5
148.04004	0.5
159.03033	0.7
160.46988	0.4
161.04579	6.4
163.00360	1.1
165.99062	0.7
167.37180	0.5
174.12782	0.4
183.04504	1.5
184.05264	0.6
205.07249	0.5
207.71687	0.5
211.03957	0.6
218.65739	0.5
223.08215	0.6
227.03520	2.0
249.06200	6.1
255.03024	6.4
268.03775	9.7
283.02347	4.4
283.05075	16.2
283.09744	0.8
283.11118	0.7
283.26422	4.0
284.02975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54641	0.6
55.01868	0.6
57.03447	0.7
58.99608	22.8
59.01382	13.0
63.02385	1.0
65.00326	1.0
71.01391	11.5
73.02953	2.9
75.30007	0.5
83.01385	1.2
85.02957	5.0
87.00885	10.3
89.02453	4.2
93.03432	0.8
95.01399	0.9
99.00916	1.2
101.02457	7.3
102.98605	100.0
103.98927	0.7
110.00105	0.6
113.02475	4.1
117.03493	2.4
119.03513	2.7
143.03392	0.7
151.00375	0.7
155.05008	0.9
159.04468	1.1
161.04572	7.0
163.00412	2.4
165.99171	0.8
171.04509	0.9
179.05722	0.8
181.48448	0.6
182.03615	0.7
183.04504	4.5
185.02534	1.2
196.31673	0.5
199.04134	0.7
199.06053	0.7
206.58760	0.7
208.81404	0.6
211.04002	2.9
227.03561	3.6
236.01299	0.7
249.06235	4.7
255.03014	19.3
268.03778	13.8
268.06793	0.7
283.02438	18.5
283.05167	14.9
283.11362	0.8
283.15558	1.0
283.26428	7.0
284.03122	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	283.1705
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.32664	0.2
53.12645	0.2
62.69299	0.2
62.77082	0.2
66.74390	0.2
70.89921	0.4
71.64137	0.2
106.04241	0.6
107.05038	100.0
108.05377	2.2
123.04529	0.6
133.84424	0.2
147.08211	0.3
163.00380	0.5
163.11299	96.8
164.11626	3.4
184.05240	0.3
209.52354	0.3
255.03098	0.3
268.03790	3.7
283.17044	85.0
283.26407	1.5
284.17398	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	283.1919
Annotation	Koninginin C
Peak:m/z	Relative Intensity
55.01882	1.2
55.08963	0.6
57.03451	1.3
59.01384	3.5
69.03474	0.6
71.05035	6.2
71.41877	0.5
83.05042	1.7
84.02179	0.8
94.78439	0.5
95.05060	1.0
97.06587	4.6
99.08167	2.8
109.06603	0.7
109.93999	0.5
110.00106	1.1
111.08163	1.0
125.06173	0.6
125.09728	1.1
127.11317	1.7
130.15427	0.6
137.09753	1.9
137.99632	0.6
139.11298	1.0
143.07179	3.1
153.12915	0.9
155.10774	2.0
163.00424	3.2
164.00659	0.5
165.99121	0.9
171.13911	0.7
181.08740	0.8
199.09776	0.5
215.12839	1.0
219.17621	0.8
221.19212	1.6
224.93181	0.5
227.03615	1.3
239.03513	0.8
255.03000	3.5
263.16638	0.8
265.18118	2.6
268.03796	17.9
269.04187	1.7
283.02765	0.9
283.06183	6.2
283.19180	100.0
284.03177	2.5
284.05966	0.6
284.19470	6.0
288.72876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1918
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.03446	0.9
59.01377	5.1
64.29734	0.9
69.37180	1.3
69.37566	2.6
86.25169	0.8
94.68137	0.9
97.06573	1.9
98.21838	1.6
99.08150	1.0
110.00111	1.7
111.14249	0.8
113.09732	3.0
115.07660	1.1
132.04596	1.5
136.07668	1.1
137.09813	0.9
139.11311	2.7
144.04283	0.8
155.10773	3.4
163.00378	5.8
163.64647	0.7
165.99091	1.7
167.10808	6.0
184.05363	1.2
185.11853	1.5
199.42311	1.0
201.02689	0.9
211.04071	2.2
237.18657	1.7
239.03625	1.7
239.20233	1.4
258.95743	0.9
265.18152	10.4
267.03006	1.2
268.00845	1.7
268.03781	27.6
269.04041	2.4
277.10718	0.9
283.06052	9.9
283.19171	100.0
283.26190	8.9
284.05878	1.4
284.19434	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	284.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98834	0.8
69.06578	1.1
69.06976	2.7
98.01060	0.6
99.98943	3.9
102.20271	0.4
133.09277	0.5
140.02054	1.3
141.99980	100.0
143.00066	4.2
157.68228	0.4
184.01039	32.8
185.01100	0.9
186.55553	0.5
202.02713	1.0
206.04167	0.5
230.94014	0.5
242.00124	1.8
269.04156	2.3
283.26477	5.8
284.01175	37.5
284.26794	1.8
285.01282	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	284.0569
Annotation	Marcanine D
Peak:m/z	Relative Intensity
50.77042	0.0
51.10522	0.1
59.01374	0.1
65.99849	0.1
68.36009	0.1
69.44925	0.3
90.03495	0.5
118.03001	100.0
119.03340	2.7
121.01757	0.1
149.01158	0.6
190.22054	0.1
196.04088	0.1
197.04759	0.2
198.03235	0.8
209.45447	0.1
213.04391	0.1
224.03503	0.1
225.04311	2.1
225.06473	0.1
226.02734	1.2
226.04662	0.1
240.06667	0.5
241.03891	0.3
269.03311	2.5
270.03659	0.1
283.26486	0.2
284.05658	26.7
285.06003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.3
66.87959	0.2
69.60430	0.2
71.09235	0.2
72.79412	0.2
121.02955	1.0
128.77423	0.2
133.01706	100.0
134.02039	1.9
148.04062	17.2
149.04410	0.4
165.01923	0.3
196.04077	0.4
197.04892	1.1
198.03275	0.3
225.04326	6.3
226.02675	1.4
240.06647	0.5
269.03299	65.4
270.03656	3.4
283.26385	1.3
284.05670	15.2
284.26645	0.5
285.05792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Fisetin
Peak:m/z	Relative Intensity
57.19784	0.2
59.01381	0.5
62.85339	0.2
63.02402	0.8
65.00331	0.7
67.01901	0.2
69.20370	1.0
78.83128	0.2
83.01382	1.2
87.31973	0.2
93.03468	3.4
95.01399	0.6
107.01403	1.8
108.02177	0.6
109.02991	1.0
117.03468	0.9
119.01421	0.3
121.02940	0.4
123.00902	0.3
123.04523	0.4
124.01710	0.2
129.03436	0.2
130.04219	0.2
131.05028	0.4
133.02968	0.6
135.00888	0.7
136.01695	0.4
137.02449	0.7
138.62836	0.2
143.05028	1.5
144.20227	0.2
145.02953	1.1
145.06627	0.3
151.00380	1.5
153.46669	0.2
154.04265	0.9
155.05060	0.6
156.05829	0.4
157.02951	0.4
157.06602	1.1
158.03699	0.4
159.04535	1.6
161.02502	0.5
162.52010	0.2
163.00378	0.7
164.01137	0.4
165.01945	0.3
167.04991	0.8
168.05826	0.5
169.01431	0.2
169.06633	1.3
171.04515	1.3
173.02406	0.6
173.06018	0.2
174.03116	0.3
175.03873	0.2
183.04558	0.6
184.05293	0.5
185.06082	2.0
187.03990	2.0
189.05553	0.3
192.00597	0.2
195.04420	0.5
198.03130	0.4
199.04016	0.5
201.05577	0.5
210.03207	0.2
211.04056	1.1
213.02039	0.2
213.05595	1.1
214.02762	0.9
215.03503	0.7
219.02959	0.2
227.03456	0.8
229.05029	2.1
239.03502	1.6
240.04300	0.3
241.05103	0.3
243.03033	0.8
254.04680	1.1
255.03014	0.8
256.03595	0.4
257.04605	1.1
268.03699	0.4
284.03323	0.3
285.04059	100.0
286.04398	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
55.22080	0.3
59.01380	1.0
65.00301	0.4
67.01901	1.0
70.40578	0.5
78.95901	1.0
79.01894	0.4
81.03457	1.0
85.02975	0.5
96.96986	1.7
97.02951	0.6
98.21940	0.5
107.01405	0.5
108.02181	100.0
109.02987	17.5
109.04068	0.6
111.00886	6.6
117.98053	0.3
121.02927	0.7
122.03779	0.6
123.04530	2.1
132.98225	3.7
133.02921	0.8
135.00926	0.8
135.04491	0.4
136.98772	0.6
143.03554	0.9
146.99771	1.5
148.65744	0.5
151.04030	1.2
152.01161	61.4
153.01953	33.3
153.02895	0.4
154.02376	0.9
156.98232	0.8
163.03999	0.8
165.01965	1.0
166.97549	3.0
169.00024	0.6
169.01450	0.8
174.99249	3.3
184.97708	1.9
188.97275	1.1
192.95432	0.5
193.94363	0.3
198.99301	2.5
201.93434	0.5
208.97775	1.0
210.96500	1.1
212.98932	1.0
226.98750	5.1
241.07178	0.4
252.96678	4.6
258.90894	1.0
284.89014	0.5
285.06180	58.4
286.06573	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	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
53.98478	0.4
59.01392	0.6
61.21882	0.4
69.19796	1.5
69.20200	0.8
76.08677	0.4
81.03482	0.9
93.03476	0.5
108.02187	100.0
109.03001	14.9
120.03760	0.3
121.02980	0.7
123.04559	3.1
133.03009	0.6
135.00900	0.8
135.04503	0.6
151.04021	1.7
152.01172	65.9
153.01958	35.4
154.02263	0.6
163.04082	1.3
165.01971	0.6
218.85486	0.4
226.98570	0.4
241.07037	0.6
246.19774	0.4
285.06201	67.9
286.06552	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	285.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.5
66.03513	2.1
66.46577	2.7
66.61688	2.9
69.74197	5.9
71.01381	3.8
71.02043	1.9
72.93148	2.0
82.02985	2.7
85.02964	6.9
90.97158	6.7
98.21860	2.7
108.02184	100.0
109.02986	30.9
109.04073	11.1
111.00895	7.7
117.01915	2.3
119.93275	2.1
122.03759	17.0
123.04550	11.0
129.01944	5.3
130.08795	4.2
132.98222	9.1
135.03038	3.0
146.99773	5.5
151.03859	2.4
152.01161	71.9
153.01945	42.6
153.03098	4.4
156.98233	2.7
158.99762	6.8
172.97704	19.0
174.99231	4.6
184.97662	14.8
198.99382	3.5
202.00514	3.5
208.97545	3.5
212.99080	2.4
213.00920	3.6
224.28984	2.6
226.00435	3.6
226.98782	11.0
239.14458	2.2
252.96667	8.4
255.22224	2.6
258.06522	2.8
266.98395	3.3
277.58612	2.4
284.26828	4.5
284.99265	4.3
285.06143	68.1
286.06119	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	285.2075
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.26152	1.0
57.03462	2.2
59.01382	3.0
61.98819	2.5
66.02752	1.1
70.01695	2.2
70.02080	2.2
92.92820	1.1
98.22606	1.1
146.15927	1.0
174.99330	1.2
175.46024	1.0
195.30406	1.1
202.98708	2.6
217.00299	1.7
223.20691	59.0
224.21030	2.9
241.21889	1.6
257.54593	1.0
267.19666	36.7
267.22614	1.8
268.19989	2.2
271.37161	1.0
285.04208	1.3
285.20749	100.0
286.21130	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	286.0362
Annotation	CHEBI:68708
Peak:m/z	Relative Intensity
57.24380	0.1
58.22003	0.2
65.99841	0.4
66.03499	0.2
69.03458	0.5
78.03513	0.4
78.35606	0.1
79.01889	0.2
86.45525	0.2
94.02972	0.7
95.01407	0.6
97.02955	0.3
98.21784	0.3
105.02197	0.4
107.01397	1.0
109.02974	0.8
111.00916	0.2
118.03036	0.3
121.01707	0.3
122.02496	5.4
123.00900	0.6
125.02472	0.5
133.01706	4.4
133.02730	0.3
134.02496	91.9
135.00893	0.6
135.02849	2.6
143.05067	0.4
144.04466	0.2
145.02945	0.3
147.03372	0.2
147.04558	0.6
150.01982	10.0
151.02379	0.3
158.06133	0.2
160.04004	0.3
161.02232	0.1
162.02034	0.2
168.04556	0.7
170.06139	0.2
171.04527	0.8
173.02495	0.2
184.04027	0.3
185.00116	0.1
186.05640	2.6
187.04031	0.5
191.02240	0.2
196.04070	1.1
197.04822	0.9
198.05568	0.6
199.04095	1.1
200.03793	0.2
212.03537	0.6
213.04327	1.9
214.05122	9.0
215.03563	0.5
215.05350	0.3
216.03094	0.4
224.03571	0.9
225.04346	3.1
228.68173	0.2
231.01833	0.4
240.03088	0.5
241.03822	9.8
242.04602	32.9
243.02982	3.0
243.05023	1.3
244.03183	0.2
258.04117	1.1
286.03592	100.0
287.03928	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99699	0.1
60.02394	0.1
65.99841	0.1
69.55036	0.1
78.03499	0.3
90.03504	0.2
92.05077	0.2
93.03497	0.3
106.03002	0.9
107.03777	1.5
108.04568	1.5
118.03005	100.0
119.03337	2.4
120.04582	0.6
134.02516	2.1
136.04050	1.5
148.04037	0.4
151.02740	1.5
162.36330	0.1
163.58092	0.1
166.05110	4.7
170.10062	0.1
170.60062	0.1
200.93213	0.1
209.04803	0.9
210.05637	3.0
211.04005	0.5
254.04608	55.4
255.04936	3.0
268.06198	1.1
286.07239	6.9
287.07565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0724
Annotation	Citrusinine II
Peak:m/z	Relative Intensity
59.42867	0.9
70.82483	1.4
77.20627	0.8
85.18541	0.9
91.01898	3.2
91.04285	3.4
92.05065	8.5
96.72974	0.9
109.02961	2.1
110.68410	0.9
113.58393	0.9
118.02998	11.6
120.04569	6.2
129.80156	0.8
132.04558	1.6
134.02492	100.0
135.03331	6.3
150.05620	26.5
160.60474	1.0
210.05592	1.7
211.04039	9.7
254.04605	92.0
255.05002	4.7
286.07230	49.8
287.07571	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	286.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79824	0.2
61.30289	0.2
64.01911	0.4
65.99556	0.3
65.99856	3.6
66.61687	0.3
67.01873	0.3
67.20763	0.2
69.52378	0.8
70.97137	0.2
73.23972	0.2
78.95912	1.6
85.02950	0.4
95.01408	3.1
99.63805	0.2
107.01404	3.3
118.03001	0.6
121.01687	0.6
123.00873	0.9
134.02490	0.4
139.05533	0.4
141.03490	0.3
149.01196	2.0
151.00388	0.3
158.03758	0.4
159.04573	2.3
166.05138	0.3
170.06148	1.3
197.04747	0.4
198.05641	0.8
210.03014	0.3
211.04013	0.7
225.04327	2.1
226.05142	3.3
252.03082	0.3
254.04613	100.0
255.04909	4.8
268.06067	0.3
286.07242	13.2
287.07620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75614	0.1
51.75896	0.1
63.90850	0.1
65.00327	1.4
67.01891	0.3
69.03462	3.9
70.51988	0.1
76.01928	1.7
79.01892	2.1
81.03465	2.0
92.14667	0.1
95.01397	0.3
97.02962	2.3
101.03962	0.2
102.03523	0.3
105.02225	1.1
107.01399	3.7
120.00928	0.3
121.01701	0.5
123.00877	0.2
125.02454	0.9
127.05563	0.1
129.03506	0.2
132.00935	1.9
133.01694	0.5
134.02495	0.2
142.06688	0.2
145.02914	0.2
147.04526	0.1
147.83977	0.1
149.01207	0.9
150.01999	0.3
151.00359	0.2
152.05029	0.2
154.06651	1.0
155.05075	0.1
156.04524	0.2
166.06645	0.4
170.06134	0.7
172.07715	0.2
173.06108	0.1
177.00661	0.1
181.05283	0.7
182.06137	2.1
183.04468	0.2
186.72021	0.1
196.04022	0.2
197.04510	0.2
198.05608	1.0
199.04013	0.3
209.04848	0.8
210.05608	5.1
211.04030	0.2
225.04309	0.8
226.05124	2.8
227.05473	0.2
242.04607	0.3
253.03693	0.2
254.04601	100.0
255.04921	4.9
286.04218	4.2
286.07260	2.7
287.04556	0.2
287.07547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45667	0.9
59.01383	52.0
61.98835	6.5
72.97066	1.1
74.99387	1.7
98.22702	2.3
101.00947	5.7
109.65089	0.9
115.02470	2.3
117.00455	100.0
118.00533	3.5
130.38222	0.9
141.99982	3.5
143.00099	7.3
143.01991	1.4
143.99702	14.8
144.97540	8.4
144.99940	94.8
145.99379	11.1
159.01511	62.8
160.01717	1.7
174.99405	2.4
185.01224	3.6
186.00803	3.2
186.98444	3.3
187.01013	35.1
188.00592	3.2
198.99486	2.0
201.02611	1.3
217.00542	8.5
241.00603	2.6
243.02116	4.0
245.00000	5.2
245.99756	1.1
259.01617	35.1
260.01883	2.8
270.94412	1.1
287.01123	66.4
288.00977	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	287.1504
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03466	1.0
59.01386	100.0
59.14853	0.5
60.99338	1.0
61.87552	0.7
69.25812	3.3
80.63841	0.6
99.04542	1.9
102.58805	0.7
113.82068	0.6
114.95577	0.5
121.46196	0.7
161.27524	0.7
165.12907	1.2
183.63492	0.6
187.35921	0.6
196.77335	0.6
198.28467	0.6
201.98180	0.6
207.13812	2.9
209.11885	8.2
225.14989	8.3
226.43587	0.6
227.12909	55.1
228.13309	1.7
251.12856	1.5
269.13937	14.5
270.14380	1.3
287.15033	84.4
288.15378	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	288.077
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
51.20475	0.2
59.01384	7.9
60.09930	0.2
63.34880	0.3
70.63740	0.5
72.93617	0.3
74.02474	0.5
74.81274	0.3
82.06622	0.5
84.08186	0.5
88.04049	1.6
90.97143	1.0
92.07707	0.3
118.51616	0.3
129.10324	0.3
130.08754	100.0
131.09102	1.9
132.98224	1.8
141.98221	0.9
143.11980	0.3
155.08119	0.3
160.97667	0.6
172.97655	0.5
174.99265	1.0
187.98828	0.6
214.98221	0.2
244.05089	3.3
244.13161	0.8
246.06680	3.0
288.07693	53.5
289.08041	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1608
Annotation	Mesembrine
Peak:m/z	Relative Intensity
68.10891	0.3
78.25359	0.4
80.93228	0.4
81.03456	1.8
90.50094	0.4
92.05077	1.3
93.03468	1.3
98.21914	1.3
103.88079	0.4
108.02154	0.6
108.04565	5.3
109.02959	5.0
121.02983	0.6
134.02492	43.4
135.03305	9.2
136.04056	42.2
136.05128	0.7
137.02461	1.9
137.04361	0.9
140.49545	0.4
148.04056	0.9
149.04823	1.7
176.03526	4.6
177.04239	0.8
190.05043	0.7
192.04218	0.4
195.21858	0.4
204.06544	0.5
288.16068	100.0
289.16342	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	289.0834
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
52.39074	1.5
59.01378	7.3
69.35759	7.7
71.01371	2.6
72.04545	6.7
74.30016	1.6
82.02990	88.2
83.01376	2.5
85.02953	2.0
85.92087	1.7
98.02487	25.3
98.22588	4.0
100.04055	32.0
101.02415	2.7
106.06615	15.0
116.05026	2.2
126.01952	7.7
127.04015	5.6
143.06125	2.8
144.04559	82.6
145.04924	2.2
146.06128	12.9
161.07217	100.0
162.07568	3.2
175.02760	2.0
184.07710	9.3
199.08751	3.2
210.30063	1.9
217.09770	4.2
225.06638	2.3
227.08238	8.1
229.03981	2.0
243.07753	31.8
245.09290	7.9
261.08792	2.8
271.07248	4.9
289.08334	49.0
290.08408	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	289.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33244	1.1
57.03445	1.6
59.01390	1.8
69.03447	4.3
71.05005	3.3
83.01396	5.8
83.05051	1.4
84.21866	1.3
97.06584	1.4
98.22700	2.9
99.07539	1.2
102.69970	1.3
111.08117	2.5
125.09725	5.3
127.11858	1.4
137.46541	1.4
139.11308	5.4
165.12856	5.4
181.12306	1.6
183.10242	3.0
185.09718	3.2
187.15094	1.4
191.10815	2.8
201.11256	1.6
209.11844	30.5
214.06410	2.8
222.87743	1.7
229.08730	20.7
235.09630	1.4
246.38092	1.3
253.10818	100.0
254.11137	4.8
274.75534	1.6
289.08472	46.3
289.10892	1.8
289.18015	6.7
290.01782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1083
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
59.01383	1.5
61.98807	1.8
71.45053	1.5
109.02947	4.2
143.05057	1.7
146.03751	1.7
159.04474	9.4
159.08186	2.0
161.02422	3.5
171.04529	5.3
172.05316	38.7
173.02423	2.9
173.06067	9.1
174.03230	48.0
175.03955	3.1
182.03682	2.8
183.04564	6.2
183.05913	1.4
183.08150	1.6
183.64993	1.6
184.05292	3.4
185.06102	12.9
186.06886	11.4
187.03958	5.8
187.07654	41.5
188.04776	7.2
189.01939	20.4
189.05589	3.0
191.07169	3.2
195.04488	2.2
196.05281	4.1
197.06035	2.0
199.04012	50.2
199.07712	1.9
200.04797	83.3
201.05547	32.1
201.09251	9.6
202.06313	8.7
203.07138	59.7
204.04298	19.8
204.07349	2.4
205.04965	3.4
209.06020	1.3
210.03148	1.9
211.04041	7.1
211.07532	6.6
212.04684	2.1
213.05565	13.7
213.09146	2.4
214.06339	10.4
215.07120	85.5
216.07704	6.8
217.08643	2.4
218.05815	1.7
219.06586	5.4
220.07396	2.6
224.04758	7.3
227.03549	20.7
227.07059	10.1
228.04283	96.7
228.07663	13.9
229.05067	29.9
229.08659	42.7
230.05833	8.2
230.09027	1.7
231.06500	2.5
232.03775	1.5
238.06367	1.7
239.07120	19.6
241.08594	1.9
242.05795	2.9
245.08232	1.4
246.08952	2.5
257.08203	100.0
258.08743	11.8
259.09650	6.4
260.06772	3.0
265.98187	1.4
289.07584	2.5
289.10812	36.8
289.18051	3.3
290.11121	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	289.1087
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
59.01372	2.1
62.87091	1.5
71.01398	1.9
84.48294	1.7
89.52155	1.6
96.96012	4.6
98.21896	4.4
109.02959	2.2
109.96507	1.7
123.08195	3.8
159.04512	9.4
161.02422	1.9
169.06551	2.2
171.04535	5.6
172.05339	34.0
173.02371	2.5
173.06117	9.1
174.03218	20.1
175.03975	5.8
181.06572	1.9
182.03796	2.3
183.04512	5.9
184.05342	2.8
185.06050	10.1
186.06914	10.3
187.04066	8.4
187.07664	31.0
188.04723	4.4
189.01968	38.3
189.05589	5.2
191.07072	2.2
196.05197	2.3
197.06114	2.9
199.02324	3.2
199.04042	40.9
200.04807	70.7
201.05586	39.5
201.09259	10.4
202.06383	10.4
203.03528	2.2
203.07173	13.8
204.04294	42.0
205.05045	4.2
210.06923	2.7
211.04005	6.2
211.07701	6.3
213.05554	11.2
213.09186	3.4
214.06395	11.7
215.07140	65.8
216.07658	5.2
217.08766	2.1
218.05865	3.0
219.06650	10.1
220.07440	2.9
224.04805	5.2
227.03482	15.2
227.07178	6.9
228.04308	80.5
228.07660	9.1
229.05086	26.8
229.08675	36.6
230.05811	5.4
233.08162	8.6
239.07172	17.8
242.05879	5.5
246.09026	2.5
257.08218	100.0
258.08691	11.7
259.09793	5.2
260.06989	2.3
289.10855	59.0
289.18045	7.5
290.11139	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	289.1197
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
53.02728	0.6
59.01379	0.6
59.62030	0.6
63.61094	0.6
67.65627	0.8
69.28173	3.3
83.51933	0.7
86.47342	0.7
93.27139	0.6
98.02512	0.6
100.52185	0.6
108.04545	3.0
118.05590	0.6
118.09468	0.7
118.98121	2.0
120.04516	1.2
122.06112	2.8
124.04038	1.2
132.04472	0.8
133.02963	1.8
134.06126	3.6
136.04077	1.8
136.07674	1.1
150.05606	2.8
161.07196	0.8
162.05576	1.1
170.06102	1.1
170.07396	1.2
175.02779	2.1
176.03572	1.4
184.07722	3.6
185.08366	1.0
185.09732	3.0
198.09167	0.9
199.08722	1.4
200.10759	3.8
212.05888	7.0
213.06549	7.3
214.07431	0.8
215.08368	2.0
227.08264	28.7
228.08911	37.7
229.09624	4.7
237.84921	0.7
241.09891	0.9
242.10561	0.9
243.11360	8.0
244.08527	0.8
247.10812	1.6
253.09775	1.5
256.08530	2.3
259.10861	3.0
271.10895	100.0
272.11111	6.9
289.11948	23.6
289.16339	1.7
290.06818	1.0
290.12268	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1812
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
54.24558	0.3
58.02961	0.8
59.01387	2.6
59.01688	0.4
69.95837	0.5
69.96186	0.5
71.01399	0.3
80.02695	1.3
81.03477	0.7
83.05034	0.7
93.03484	0.7
95.05032	1.2
106.04258	2.0
107.05045	0.8
109.06603	11.0
111.08170	2.1
118.02990	0.7
119.03356	0.6
119.05047	0.4
120.03603	0.3
120.05761	0.7
121.02971	2.8
121.06611	0.7
121.10236	0.4
123.08170	3.1
129.09279	0.7
134.07397	0.3
135.08148	1.0
137.09714	1.3
143.10771	2.2
145.06595	3.6
147.08174	0.4
149.09744	1.9
151.11304	1.4
151.48116	0.3
159.08199	0.6
161.09729	0.3
163.11304	0.7
167.10776	2.5
168.13937	1.9
173.59305	0.2
177.09222	0.4
177.12888	0.6
179.10828	1.0
181.12393	0.8
191.14391	0.5
215.14314	0.4
234.44852	0.3
243.17451	0.7
245.19107	7.6
257.05511	0.7
261.18607	0.7
270.88641	0.3
271.16962	1.8
273.14938	1.1
287.16589	3.9
288.17093	0.4
289.18124	100.0
290.18442	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07269	0.6
59.01377	11.3
61.98821	2.4
64.34274	0.8
69.56448	2.6
71.01387	25.2
72.99332	1.1
73.02961	0.9
85.02957	1.6
87.00880	10.2
87.04519	2.2
89.02447	12.8
90.97128	2.5
98.22601	0.7
100.01353	0.6
101.02446	0.9
109.03026	0.8
111.00892	0.8
111.04494	0.9
113.02504	0.7
113.06120	0.7
118.96632	1.6
119.05035	0.9
129.05574	0.8
130.08754	1.9
132.98209	91.8
133.05080	100.0
133.98579	1.0
134.05400	1.4
135.04544	2.2
142.96628	1.6
151.98950	0.7
158.99792	1.8
159.06659	2.4
160.97707	2.9
170.99742	1.4
172.97702	1.3
174.99265	19.1
182.99762	1.3
184.97710	5.3
185.01306	4.1
186.44783	0.7
186.99252	7.2
188.89359	0.7
201.00826	4.6
202.98782	5.3
203.00491	0.7
203.00832	0.8
203.02397	6.3
205.00322	13.7
207.46957	0.7
213.00829	15.4
214.98746	1.2
231.01872	70.7
232.02292	1.6
234.99168	0.7
247.01379	1.8
248.95967	1.7
249.02922	13.3
290.97156	2.9
291.03995	20.9
291.10934	2.1
291.19736	0.7
292.04263	1.5
293.01990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21995	0.4
56.67628	0.3
59.01369	1.0
69.33064	1.6
71.01376	0.5
72.66039	0.3
74.50936	0.3
82.68606	0.3
85.02939	2.4
86.73672	0.3
93.03445	0.5
101.02434	0.5
113.02459	0.3
117.03492	4.8
119.05033	100.0
120.05369	2.6
121.02956	0.4
124.04035	1.2
135.04520	3.9
145.02962	14.0
145.04115	0.7
146.03253	0.4
147.57144	0.4
163.04018	89.4
164.04340	3.0
204.10255	0.4
249.12617	0.8
273.07809	0.5
291.08789	10.9
291.14597	1.1
292.08731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08624	0.2
59.01391	0.7
59.76929	0.2
64.84347	0.2
67.55956	0.2
85.02967	1.3
93.03476	0.5
108.43145	0.3
117.03476	2.5
119.05039	100.0
120.05364	2.5
121.02957	0.3
136.17377	0.2
145.02959	5.5
146.03371	0.2
163.04024	86.9
164.04367	2.7
175.04002	0.3
217.15424	0.3
219.54950	0.3
273.07626	0.7
291.08798	7.6
292.09113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
59.96713	0.2
60.97509	0.5
68.09819	0.1
74.99075	1.5
93.00136	0.7
99.56264	0.1
111.08136	0.1
119.05006	0.2
121.02971	0.4
127.59264	0.1
134.99446	0.4
143.05321	0.2
149.00957	2.4
150.98894	0.2
161.06429	1.0
163.03975	0.2
165.12863	0.2
171.10329	0.2
185.11795	0.1
192.98180	1.4
206.99702	0.7
209.01274	4.2
209.04395	0.2
210.01291	0.2
210.99268	0.3
217.07239	2.2
218.07423	0.1
225.00729	0.6
247.17046	0.2
247.20674	0.2
261.04361	0.2
275.06046	0.6
289.07574	2.8
290.07666	0.2
291.09119	100.0
291.19647	2.9
292.09232	8.5
292.20093	0.2
309.10297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
57.03448	6.1
59.01384	100.0
59.82727	0.9
69.03469	1.4
69.50435	2.0
69.50838	2.7
71.01388	93.8
72.99290	2.6
73.02563	1.9
73.02951	25.5
75.00868	1.4
81.03472	1.4
83.01388	11.8
85.02957	33.6
85.03475	1.7
87.00884	5.5
89.02448	43.1
95.01363	7.4
97.02946	2.8
99.00900	11.1
101.02453	67.4
101.93414	1.0
102.02780	1.4
111.00859	2.5
113.02457	35.6
117.03483	0.9
119.03524	19.0
119.04976	6.6
120.99638	1.6
121.63594	0.9
121.78086	1.1
125.02466	1.7
129.01965	2.1
129.09215	2.4
131.03487	1.0
135.04536	15.0
143.03514	4.7
145.02873	1.4
149.04634	1.2
159.02997	9.2
159.06659	1.9
161.04570	40.9
163.04053	6.3
167.31143	1.0
176.03572	2.2
249.12437	3.8
291.11267	2.4
291.14508	18.5
292.14874	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	291.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.6
55.08454	1.0
57.03448	5.5
59.01384	100.0
60.01712	1.2
64.34365	1.0
68.99832	1.4
69.03457	2.0
71.01389	94.2
71.41232	1.2
72.99321	3.2
73.02956	29.5
75.00881	1.8
83.01390	13.6
85.02957	40.1
87.00886	6.3
88.95394	1.1
89.02454	42.2
90.59540	0.9
95.01405	8.2
97.02949	2.3
99.00880	11.8
99.04508	1.5
101.02454	74.7
111.00929	1.4
113.02469	36.9
114.02814	1.3
115.95396	1.3
117.05582	1.1
119.03501	19.9
119.04993	5.0
119.89278	1.0
125.02432	3.1
129.01964	1.8
129.05598	2.0
129.09225	2.8
131.03558	3.1
135.04543	4.3
143.03503	3.7
145.02930	1.8
159.03029	8.8
159.06645	1.4
161.04575	45.4
163.04030	4.0
176.03458	1.4
179.05696	1.2
291.10834	3.3
291.14462	17.2
291.19833	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
71.05011	0.2
86.28629	0.2
93.03466	1.4
93.03997	0.3
95.05054	0.6
97.06594	0.9
111.36517	0.2
119.05022	0.8
121.02956	0.3
125.06084	0.4
135.04532	5.3
137.20586	0.2
147.08153	0.3
148.08968	1.3
149.09673	0.3
150.10507	0.8
151.11244	0.5
153.12862	0.2
163.04041	0.4
163.11235	1.3
165.12854	22.1
166.13205	0.9
175.11285	0.5
176.12070	0.8
177.12802	0.5
191.14499	0.7
193.12144	0.2
202.09929	0.3
202.23294	0.2
203.10753	1.0
217.15997	0.3
219.17465	0.2
245.18959	0.3
247.09764	2.0
247.20689	12.1
248.10161	0.3
248.21100	0.8
273.18646	6.1
274.18976	0.5
291.19684	100.0
292.20041	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81460	0.3
57.03450	2.0
58.41090	0.3
59.01379	2.8
69.03458	0.6
71.01385	0.4
71.07364	0.4
78.66217	0.3
80.24184	0.3
81.85586	0.3
83.05025	0.8
90.35547	0.3
92.31215	0.3
95.05043	1.0
97.06610	0.5
106.04258	0.3
109.06628	0.6
111.08170	12.0
113.09729	0.6
119.05013	0.5
121.10254	2.0
123.08167	0.5
125.09742	0.7
137.09714	1.0
139.11255	0.3
148.05292	0.3
149.09744	0.7
159.16238	0.3
165.12811	0.4
167.10771	2.0
177.12862	2.2
179.10806	1.9
185.11816	1.6
195.13914	8.2
196.14319	0.5
197.11906	0.3
230.48984	0.3
247.20645	2.0
273.18604	1.7
291.09210	1.4
291.19681	100.0
292.09137	0.3
292.20029	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27828	0.8
59.01381	0.8
72.13040	0.9
88.04774	0.8
98.22694	1.8
106.37825	0.9
148.08926	1.2
150.10509	1.3
165.12868	28.9
166.13156	1.7
176.12125	0.9
191.14410	1.5
197.99654	0.8
247.20680	14.6
273.18564	8.2
291.19681	100.0
292.20032	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.5
69.19143	0.4
83.05035	0.6
83.13822	0.5
85.73389	0.5
88.20707	0.5
93.07117	1.1
97.06614	2.6
121.10252	12.8
123.08196	1.3
125.09734	7.6
141.12831	0.6
164.83191	0.5
165.12897	0.6
177.12784	0.7
185.11845	15.1
185.13425	1.0
197.11887	3.4
209.11887	2.1
211.13477	1.4
223.13336	0.9
247.20630	1.0
273.18628	1.9
291.19693	100.0
292.20038	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96548	4.1
58.78266	3.3
59.01371	10.3
62.54633	3.3
75.67423	4.0
75.72004	3.3
119.05000	6.4
146.02670	4.1
147.00931	3.4
165.12869	5.7
171.10291	100.0
189.90681	3.7
291.09180	7.4
291.19702	46.7
292.19931	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93578	0.5
57.03442	2.0
59.01384	4.7
65.59266	0.6
73.68690	0.5
95.05054	1.0
106.37790	0.6
111.08165	12.5
115.76447	0.7
119.05043	0.7
131.75214	0.6
137.09721	1.4
149.09805	0.7
161.72386	0.6
165.12793	1.2
167.10754	2.7
177.12848	1.8
179.10782	2.6
195.13904	8.1
203.14423	0.8
211.88023	0.7
228.74748	0.6
247.20735	3.2
259.53552	0.6
273.18591	1.7
291.19681	100.0
292.19965	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	292.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.9
69.03474	0.9
71.01386	9.2
71.44542	0.7
73.02955	2.0
82.02972	1.8
83.01389	0.8
84.09968	0.7
85.02958	2.8
89.02462	7.4
93.03478	1.8
95.01403	0.8
97.02956	1.3
99.00912	1.0
101.02454	3.1
102.05617	30.6
113.02448	1.8
113.54607	0.6
117.03450	5.4
119.05037	100.0
120.05363	2.9
121.02944	1.0
125.02440	2.7
127.92091	0.7
128.03548	40.5
133.02902	1.1
135.04538	0.7
145.02968	30.8
146.04604	81.7
147.04608	3.0
160.04034	0.6
161.04628	1.5
162.05605	1.3
163.04024	15.0
164.04359	0.7
167.05373	0.5
172.02557	2.5
174.05702	0.8
176.03560	4.8
188.07104	0.8
202.08725	6.8
204.06665	0.9
204.10286	3.0
212.07303	0.7
230.08325	3.3
233.06763	1.0
248.05695	1.1
248.09286	3.8
251.11388	1.3
274.07224	9.4
292.08286	24.7
293.08679	0.9
293.12296	0.9
293.15701	0.6
298.22510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	98.4
62.96614	4.9
69.03463	19.7
71.01391	64.1
73.02952	100.0
74.27168	5.5
79.95739	7.8
81.03473	6.2
85.02947	29.6
86.84480	5.1
89.02457	91.0
95.01374	12.2
96.95992	6.1
97.02965	30.8
99.00883	85.5
101.02454	89.7
104.81917	4.6
111.21064	5.3
115.04025	18.1
116.32607	4.8
118.75669	6.2
125.02457	58.9
126.02862	5.0
131.03499	14.8
143.03497	19.4
149.04575	13.6
161.04491	6.6
191.05708	29.4
284.17944	5.3
293.08746	7.8
293.17676	6.8
293.21008	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	293.0884
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.80542	2.7
59.01382	96.5
69.03460	9.7
69.23413	13.4
71.01389	62.8
71.05008	3.1
73.02950	100.0
81.03458	7.4
85.02964	25.5
87.04532	8.8
89.02454	78.0
95.01379	3.9
97.02957	33.6
99.00893	72.4
99.04522	3.8
101.02447	80.4
113.02472	3.3
115.04025	18.9
120.99673	44.8
125.02464	40.3
131.03528	10.9
143.03535	9.4
149.04568	11.4
151.05501	2.5
161.04660	3.8
176.52313	2.5
179.28429	2.8
191.05592	24.9
293.08740	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	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.77575	2.2
55.01901	2.1
59.01384	100.0
69.03462	9.0
69.15051	11.7
71.01390	86.5
72.99303	2.2
73.02956	45.7
79.95718	3.0
81.03477	6.1
83.01405	6.0
85.02957	20.8
87.04540	2.6
89.02452	93.4
95.01389	3.6
95.95242	78.6
96.96053	3.5
97.02954	21.6
99.00896	37.9
100.54931	2.4
101.02455	34.8
113.02472	6.9
115.04017	11.5
125.02465	44.0
131.03485	6.6
143.03532	6.6
149.04549	7.1
161.04582	3.2
173.04320	1.8
191.05721	9.8
197.14555	2.0
202.03076	2.1
221.15619	2.3
225.72592	1.9
233.06700	15.8
293.08749	6.3
293.14035	2.6
293.17435	3.4
294.06763	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	293.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46131	0.4
57.03432	0.5
59.01369	1.4
59.03312	0.4
63.01940	0.5
65.53593	0.4
68.87447	0.4
69.26190	2.3
71.01379	1.1
72.44789	0.4
73.02962	0.4
81.03456	13.6
85.02961	0.6
89.02457	0.6
89.60436	0.4
91.68375	0.4
98.21889	1.0
99.04523	100.0
100.04855	1.7
103.33462	0.4
115.81584	0.4
117.40385	0.5
119.05019	0.6
122.09805	0.5
122.46849	0.4
134.03793	0.5
135.04529	20.7
136.04875	0.6
137.02480	0.5
151.04030	1.1
163.04015	61.7
164.04382	1.8
165.05826	0.5
178.06375	10.5
181.05048	3.1
196.07423	2.3
211.09795	4.0
263.09256	49.2
264.09601	2.6
274.74869	0.4
278.11603	55.6
279.11865	2.5
293.13968	43.2
294.14307	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	293.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89407	0.2
60.41162	0.2
71.01390	7.2
71.06018	0.3
84.56831	0.2
92.58286	0.2
127.07653	0.3
148.05276	1.1
154.98070	0.2
155.45973	0.2
164.08418	1.3
168.55032	0.2
177.09232	5.5
189.16664	0.2
192.11577	7.2
193.12143	0.7
205.12344	7.3
206.12794	0.3
207.13824	0.3
217.08688	0.5
218.09474	2.6
220.14696	48.8
221.15469	100.0
222.15814	5.3
236.10550	68.9
237.10960	3.6
293.17630	7.7
293.20740	0.4
294.17999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.63145	0.6
56.46410	0.6
59.01378	1.5
59.48031	0.6
60.27533	0.7
61.40783	0.6
69.55635	0.5
76.14349	0.6
82.56058	0.6
94.36281	0.8
98.00314	0.6
104.79241	0.7
111.08193	1.0
113.47836	0.7
122.52696	0.8
135.91673	0.6
138.78531	0.6
179.14474	2.0
195.13916	13.5
196.14648	3.7
205.12337	0.8
211.13431	0.7
223.13423	11.1
224.14108	3.0
236.10458	0.6
256.13156	4.7
265.21759	0.6
275.20200	9.3
293.21255	100.0
294.21579	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	293.2125
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
57.85170	1.6
65.21955	1.8
70.33991	4.1
84.82186	1.3
121.10250	48.3
125.09798	2.1
144.40912	1.4
171.10286	83.8
172.10600	1.4
183.13904	4.2
185.11836	4.3
231.21228	5.4
275.20178	100.0
276.20520	6.5
293.21271	76.4
293.24652	2.6
294.21631	4.0
310.06799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80733	1.1
57.03437	1.3
59.01397	5.4
70.91722	1.6
71.01385	1.4
71.05035	6.2
100.51127	1.2
155.09561	1.2
192.11546	1.4
209.15517	1.5
220.14659	1.6
221.15448	4.6
223.17038	6.5
231.21210	2.8
235.17064	41.2
236.10597	2.2
236.17285	1.4
275.20197	39.7
276.20544	3.4
293.09000	12.3
293.21255	100.0
294.09320	1.1
294.21558	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.5
59.01377	2.8
71.07392	1.0
76.30875	0.6
94.67014	0.6
107.59540	0.6
113.09734	19.6
114.10083	0.9
121.10256	7.0
137.75302	0.6
139.11238	1.6
167.10783	1.8
171.10281	13.4
179.10829	1.9
183.10388	0.7
185.11890	1.2
195.13922	2.7
221.15588	1.6
231.21231	1.5
249.22255	1.6
275.20181	18.9
276.20523	1.6
293.21252	100.0
294.21594	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
66.28554	0.4
67.24986	0.4
68.02418	0.3
69.59423	0.4
78.60276	0.3
82.93544	0.4
95.62634	0.4
96.96064	0.4
97.06587	1.4
102.48344	0.3
123.08168	1.3
125.09718	4.5
141.12868	1.2
149.09694	1.4
156.27789	0.5
163.82343	0.4
167.14430	0.5
185.11858	9.2
186.12215	0.7
193.16129	0.5
197.11877	2.2
211.13492	0.5
220.14655	1.2
221.15512	2.8
236.10599	2.3
249.22156	0.6
275.20041	0.5
293.21243	100.0
294.21567	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
56.87540	0.3
57.03443	0.5
61.98825	0.6
70.08271	0.8
71.01379	0.6
72.99305	1.0
73.51868	0.3
83.05013	0.5
96.96010	1.1
109.06568	0.4
111.08126	0.4
111.97955	0.3
113.09727	1.1
123.08179	0.3
125.09711	0.6
127.11308	0.5
136.08958	0.7
139.11295	3.4
141.13051	0.3
153.12874	2.0
191.18118	3.7
192.11583	0.9
193.15939	1.8
205.12473	0.4
220.14670	2.9
221.15468	5.7
224.14140	0.7
229.19666	0.4
236.10536	4.9
247.20703	2.4
249.18517	0.5
275.20224	0.9
293.21234	100.0
294.21552	6.7
295.91492	0.3
298.81213	0.4
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	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.37894	0.9
56.56115	0.9
57.03445	0.9
59.01379	2.6
61.98828	1.4
71.01381	1.4
96.96017	1.3
98.22724	1.7
100.16158	1.1
108.63541	1.0
121.02981	1.1
127.87074	1.1
136.08984	2.3
141.09261	0.9
151.11307	1.1
169.12376	2.9
177.09164	1.5
177.12901	1.0
192.11597	4.2
193.16000	7.2
197.11847	37.1
197.39851	1.0
198.12157	1.3
205.12378	1.1
211.13290	1.2
220.14714	8.9
221.15492	20.0
222.15640	1.2
236.10571	15.6
249.18709	1.4
273.76968	1.0
275.20181	20.1
293.17871	7.3
293.21249	100.0
294.21500	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01159	0.6
57.03454	6.6
59.01375	2.8
61.98816	1.4
62.55299	0.6
64.59470	0.7
66.91719	0.7
71.01383	2.1
71.77893	0.7
87.09117	0.9
96.96001	1.3
109.06622	0.8
111.96009	0.7
113.09734	20.6
120.95329	0.7
139.11311	1.9
155.58733	0.6
163.52509	0.7
167.10742	2.8
169.24550	0.7
177.09283	1.1
177.12775	0.9
179.10780	2.5
192.11514	1.4
193.15979	0.6
195.13898	3.5
205.12411	1.8
219.05060	0.7
220.14720	13.8
221.15492	29.4
222.15820	1.6
236.10564	18.2
237.11206	0.7
249.22165	1.9
275.20203	1.3
293.17969	4.5
293.21240	100.0
294.21524	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	294.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69714	2.1
55.01877	4.7
57.03441	1.9
59.01384	100.0
69.55679	6.2
71.01388	61.4
73.02954	16.7
83.01406	5.5
85.02958	18.6
87.00904	5.8
89.02457	39.6
95.01381	4.3
99.00895	6.0
101.02448	47.8
104.69620	2.0
108.93662	1.9
113.02456	25.6
119.03522	16.8
119.05036	15.6
120.82577	2.1
132.03041	2.0
133.02953	2.5
133.08705	8.9
143.03539	3.5
148.02480	2.7
149.00943	4.6
159.03070	3.3
161.04575	26.8
163.03992	22.6
179.05588	3.7
184.52315	2.5
190.57704	2.2
215.92151	2.2
294.03009	3.8
294.09903	2.4
294.12988	3.3
295.10352	10.5
295.13986	23.7
302.05167	2.1
312.91241	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	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74616	1.6
52.15815	1.7
59.01384	24.9
61.01800	2.1
66.95906	1.6
70.70081	1.8
70.74509	2.9
70.74843	2.2
71.01388	6.2
72.99300	7.8
77.03992	6.0
87.00898	13.0
89.02421	2.1
95.05046	6.0
101.02455	2.4
103.00383	7.0
105.03472	19.0
115.00365	7.9
119.05037	33.9
121.02918	2.2
123.04533	28.7
132.02187	2.8
133.01471	27.2
133.02971	100.0
134.03751	5.4
135.04530	7.6
149.00954	40.7
149.02280	3.8
149.06100	3.9
150.03214	6.9
151.03990	7.0
160.01680	8.2
161.02385	3.6
163.02711	2.8
163.04034	39.1
164.04688	3.4
175.04021	8.9
176.04779	3.5
177.01944	37.0
179.03532	2.1
191.07159	4.0
193.05040	4.3
195.03004	5.3
208.03787	2.4
223.06165	7.5
226.08604	2.0
235.06166	8.0
252.06630	2.4
280.05856	2.3
295.04709	4.3
295.08319	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	295.0463
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
58.14464	1.6
59.01383	57.5
68.10609	1.6
69.03452	1.7
69.43352	1.9
69.43630	7.6
71.01381	8.1
72.99324	7.9
73.02966	1.7
75.22923	1.6
87.00884	28.8
89.02462	4.4
89.52012	1.5
93.03466	2.6
96.96031	2.5
98.22697	1.8
99.00855	1.9
103.00374	18.4
105.03482	4.2
110.02494	6.7
112.98870	1.9
115.00378	6.0
119.05042	94.6
120.05335	2.1
121.02969	5.2
123.04513	8.6
130.99875	8.6
132.02171	4.0
133.01454	14.2
133.02972	30.7
133.05042	1.9
134.03743	14.5
134.04759	7.1
135.04529	5.3
137.02501	1.5
144.04512	8.0
147.04549	3.9
149.00935	61.4
149.02411	7.3
149.04456	1.6
149.06105	6.2
150.03246	3.2
151.03958	3.3
158.06119	2.6
159.02980	2.0
160.01660	20.7
161.02393	2.6
161.06097	3.6
163.04025	100.0
164.04631	5.9
174.05569	2.6
175.04016	21.5
176.04817	7.4
177.01910	10.4
178.02727	3.8
179.03503	2.5
179.07184	4.0
190.02745	2.9
191.07098	10.0
193.01439	6.3
193.05058	15.7
195.03024	2.7
200.07318	1.7
205.05095	3.7
208.03693	10.0
223.06122	18.1
234.11256	1.7
235.06134	12.7
280.05905	2.9
295.05331	2.2
295.08313	12.8
296.08200	1.9
296.11481	3.8
301.04932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01386	14.8
71.01389	2.8
71.15307	0.8
72.99291	1.3
73.02979	0.9
85.02967	1.5
87.00883	7.8
89.02451	1.4
101.02481	0.7
103.00401	3.8
110.00571	0.6
111.00902	1.6
111.52132	0.6
112.98824	8.7
114.63713	0.6
115.00400	1.1
119.05039	68.5
120.05357	1.6
123.04574	0.8
130.99872	0.8
133.02951	3.0
149.00925	9.1
149.02164	1.1
149.02472	0.9
161.04616	1.2
163.04025	100.0
164.04341	3.6
250.96468	0.6
295.10419	1.5
313.15744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01717	1.1
69.22969	4.5
70.69890	1.0
71.01389	3.8
85.02948	1.4
98.02474	2.4
101.02444	1.5
105.03436	1.8
113.02467	1.0
115.00384	1.3
119.05041	1.8
123.04541	1.2
133.02945	7.7
134.03734	1.5
135.04439	1.3
143.03607	1.2
149.02455	1.0
149.06119	1.3
150.83678	0.9
160.01688	2.5
161.02367	1.0
161.06140	0.9
163.03990	2.8
175.04016	2.2
176.04845	1.4
177.01955	2.2
193.05031	1.5
214.04875	1.6
235.11951	3.0
295.08572	1.4
295.12802	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	295.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42027	1.0
57.79578	0.9
59.01386	100.0
60.68388	1.0
62.32830	1.0
67.37994	0.9
69.21967	5.0
71.01394	4.7
73.02964	1.5
85.02949	1.5
87.00903	2.3
89.02475	2.2
96.96005	2.1
97.02992	1.8
101.02470	3.6
103.00408	1.4
104.26399	1.1
104.54264	0.9
109.73672	0.9
110.02452	1.5
110.75989	0.8
113.02428	1.5
115.04025	1.8
115.65619	0.9
119.05022	5.0
132.02164	1.4
133.02965	2.2
134.03755	2.7
135.00609	0.9
135.04536	1.8
147.04446	1.3
149.00906	3.3
149.02402	1.7
149.06157	1.5
158.02815	2.3
160.01685	4.9
161.02394	1.5
161.04584	1.2
161.06058	1.2
163.04265	11.2
164.04974	0.9
173.47321	0.9
175.04057	4.3
176.04762	2.2
177.01935	1.5
179.03571	1.1
189.09491	1.0
191.07143	3.6
193.05040	2.7
205.05246	1.6
208.09714	1.2
214.04811	2.3
223.06119	2.1
235.06168	2.9
235.11909	3.6
253.07230	1.1
295.05301	1.5
295.08578	9.9
295.13681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.4
57.03450	2.8
58.00618	0.9
58.26519	0.5
59.01384	100.0
67.01931	0.5
70.40781	1.2
71.01386	53.4
72.99315	1.9
73.02954	14.2
75.00900	0.7
83.01389	6.6
85.02957	20.1
87.00887	3.6
87.04554	1.3
89.02450	33.0
91.04025	0.7
95.01406	4.2
97.02985	1.2
99.00880	4.9
101.02454	40.4
101.06115	1.0
103.00384	1.1
111.00909	1.0
112.98827	0.9
113.02460	23.1
115.04041	0.8
115.63840	0.6
119.03526	17.0
119.05019	12.0
123.04590	0.8
125.02469	1.0
129.01974	0.7
131.03531	1.4
133.02979	2.3
133.05066	3.9
133.08727	6.4
136.97514	1.2
143.03555	3.0
149.00940	5.1
149.02480	1.0
149.04568	0.9
159.03020	3.4
161.04567	24.6
163.04031	20.4
163.06137	1.3
164.04414	0.8
177.01950	0.9
179.05548	3.1
235.01187	1.2
235.08238	2.6
251.05574	0.8
253.09323	2.2
261.97021	0.6
295.10461	3.4
295.13965	27.9
296.14130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1552
Annotation	alhpa-tocopheronic acid
Peak:m/z	Relative Intensity
57.03440	3.4
59.01385	38.3
59.32183	1.1
63.08131	0.8
64.22798	0.8
69.03465	2.2
69.96973	2.4
71.01377	1.8
71.05034	1.5
71.29215	1.0
80.02676	2.4
81.03452	4.7
83.05034	37.4
84.02182	1.7
85.02979	1.2
87.04546	1.4
95.05052	4.8
96.95991	1.2
97.02926	1.5
97.06595	8.9
107.05042	7.1
108.02167	1.0
109.06600	9.0
110.03740	3.5
111.04500	1.9
113.06094	2.0
113.62192	0.9
119.08713	1.3
121.02967	2.2
121.06600	1.3
123.04562	1.3
123.08181	2.5
125.02429	2.2
125.06115	2.1
125.09711	2.7
127.07648	1.6
133.06567	1.7
135.04564	2.0
135.08174	20.5
137.09738	4.5
145.06624	1.3
147.04539	4.4
151.07658	1.1
153.09213	11.7
157.08626	1.9
159.06644	1.0
161.06131	1.9
162.06908	5.9
163.07643	4.6
164.08374	2.1
169.08719	6.8
171.10165	1.4
176.08418	4.0
177.09166	0.9
179.10794	7.0
181.08713	100.0
182.09047	2.9
187.11285	1.3
191.10846	1.0
191.14389	1.5
192.11481	1.6
197.08163	2.3
205.12357	2.6
205.16043	1.5
208.07451	5.8
215.14412	14.3
217.12323	2.3
226.08456	2.2
233.15474	29.5
234.15948	1.2
241.12328	1.4
249.14894	1.0
251.16592	2.1
256.77454	1.0
259.13373	7.2
277.14465	63.7
278.14688	2.8
295.15479	9.5
295.19089	2.5
296.09161	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	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84770	0.7
57.03436	1.3
59.01385	3.8
63.24744	0.7
69.11723	5.2
78.48330	0.9
98.21902	1.8
111.08144	2.1
113.09737	3.6
135.02989	0.8
157.08710	77.2
158.09053	2.3
185.06873	0.9
195.13937	3.7
225.14857	1.3
233.22739	0.9
277.21741	59.0
278.22049	3.9
295.22803	100.0
296.23145	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	295.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.81094	0.5
59.01377	1.9
70.33772	1.3
73.00732	0.5
76.63177	0.5
98.21995	0.5
113.09738	1.7
155.10788	1.7
171.10294	13.4
172.10635	0.9
183.10286	11.1
195.13931	10.3
277.21762	26.7
278.22122	1.3
295.22809	100.0
296.23212	7.2
300.40329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
62.50402	0.7
72.75450	0.9
90.41434	0.7
98.95598	2.0
103.76566	0.7
119.99562	0.9
121.07365	1.0
127.11356	1.1
141.12859	9.1
155.14430	3.5
163.73143	0.8
249.22328	8.5
250.22504	1.1
277.21732	1.0
295.22812	100.0
296.23114	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	297.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.8
60.60038	0.4
61.52072	0.3
69.40567	1.8
71.01398	2.0
75.00906	0.4
85.02959	85.6
86.03297	1.1
89.02462	2.3
101.02460	1.3
111.00873	0.7
113.02475	1.3
113.63683	0.4
119.03498	1.1
125.87334	0.4
129.01956	100.0
130.02278	2.2
135.04552	1.1
135.06654	0.8
155.25325	0.4
158.99802	3.8
161.04646	0.8
175.31665	0.4
179.05595	0.4
184.97713	4.5
227.02431	1.4
233.22389	0.4
244.53595	0.4
253.00334	1.1
278.98300	1.3
296.99457	1.5
297.08423	0.8
297.11847	0.9
314.40460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36725	0.6
62.71280	0.7
70.35199	0.7
70.67567	1.0
74.99081	2.1
89.04288	6.4
93.00124	2.6
121.06600	22.8
149.00963	39.7
150.00995	1.5
163.11287	21.9
175.05554	0.6
183.01241	3.5
206.99768	1.0
223.02812	5.8
225.00778	0.8
241.71822	0.6
264.98459	24.2
265.98499	2.7
281.01559	4.7
282.99493	2.1
297.04727	100.0
297.15302	7.1
297.18619	18.9
297.24203	11.1
298.04770	9.7
298.18829	1.0
299.02661	9.3
300.02585	1.2
301.00571	1.8
315.05786	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	297.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
74.99084	5.0
75.89626	0.9
89.04294	5.6
93.00129	2.2
98.21917	3.0
149.00963	42.0
150.00984	1.4
183.01266	5.2
195.62743	0.9
197.02763	0.9
206.99594	1.2
208.97562	1.5
218.87048	1.0
223.02849	4.9
264.98456	19.8
265.01129	1.3
265.98508	2.1
281.01645	4.1
282.01862	0.9
282.99484	2.4
296.23120	3.7
296.46335	1.0
297.04733	100.0
297.15320	9.6
297.24390	18.8
298.04779	8.5
299.02716	8.1
301.00586	1.4
315.05759	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	297.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37809	0.5
54.63376	0.4
59.01377	3.6
62.59859	0.4
70.39210	0.4
70.74712	0.6
71.01395	1.0
72.99293	1.2
75.00878	30.5
77.53208	0.4
89.02453	5.0
92.20614	0.4
95.32420	0.4
97.31132	0.4
104.87711	0.4
108.06668	0.4
117.01957	2.1
123.59711	0.6
131.96269	0.5
133.02956	2.0
134.03787	0.9
135.03017	100.0
135.04488	8.9
136.03336	1.8
159.15927	0.4
161.02452	4.5
179.03540	4.9
245.58676	0.5
297.06216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.5
59.70889	0.3
69.28807	1.6
69.57794	0.3
71.01384	9.8
72.99311	3.2
73.02959	0.6
75.00879	28.2
85.02960	0.9
87.00891	0.5
89.02452	12.6
92.98795	0.4
95.36008	0.4
103.05566	1.4
109.02920	0.6
113.02435	0.5
113.56852	0.4
117.01942	1.9
119.05040	2.2
131.03497	0.9
133.02951	1.9
134.03737	1.5
135.03017	100.0
135.04549	28.1
136.03352	1.3
136.04819	0.7
146.03694	0.4
147.04538	51.1
148.04887	1.3
149.04608	0.7
161.02477	4.6
161.06107	0.5
165.05579	15.8
179.03511	4.8
241.62540	0.3
253.08824	0.4
267.06561	0.3
282.09122	0.5
297.06384	1.0
297.09808	19.8
298.10178	0.8
310.22345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90365	0.3
59.01377	4.2
67.41493	0.3
69.94926	0.7
71.01379	1.7
71.38328	0.3
72.99310	2.1
73.02941	0.6
75.00875	36.4
76.01217	0.5
78.94469	0.3
80.24021	0.3
87.00880	0.6
89.02448	5.2
117.01922	2.0
133.02946	1.6
134.03714	0.5
135.03006	100.0
135.04495	10.7
136.03365	1.7
140.31190	0.4
159.09561	0.4
161.02455	4.1
167.14362	0.3
179.02237	0.5
179.03549	4.3
297.06396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.077
Annotation	6-Desmethylsideroxylin
Peak:m/z	Relative Intensity
59.01411	0.7
65.00332	6.5
72.22910	0.4
80.55260	0.4
89.00349	1.6
91.01911	1.9
93.03471	6.5
97.02963	4.9
98.22659	1.4
107.01385	0.6
108.02190	1.1
109.02967	0.4
117.03495	0.4
121.02979	1.6
123.81183	0.4
124.01682	5.1
131.05042	6.2
136.01646	0.6
137.48671	0.4
139.04024	3.7
143.05107	0.5
148.01701	0.6
149.99617	1.5
153.24910	0.4
155.05046	1.0
157.02884	0.6
161.02412	1.6
162.03265	0.7
165.01953	12.4
171.04456	2.2
175.03979	0.5
176.01134	4.1
177.05630	0.8
189.02007	2.1
191.03519	3.3
198.03096	0.5
199.04048	3.9
204.04341	0.4
209.06186	0.6
211.04044	1.3
213.05568	1.0
221.04495	0.6
223.04010	1.2
236.04845	1.1
237.05585	1.7
238.06393	1.3
239.03539	1.3
249.05658	0.9
253.05003	0.9
253.08763	1.0
254.05736	1.4
264.04276	5.4
265.05042	5.3
267.03003	22.5
268.03448	1.1
279.06726	1.7
281.04596	11.2
282.05264	3.6
297.07712	100.0
297.20737	4.2
297.24225	0.7
298.08038	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	297.0981
Annotation	Picein
Peak:m/z	Relative Intensity
53.92233	0.6
59.01384	31.2
59.46215	0.6
69.70009	0.5
71.01387	13.5
72.99310	4.6
73.02930	1.0
75.00877	24.2
75.93407	0.6
85.02979	1.3
87.00888	0.8
89.02448	20.3
98.21788	1.3
103.05537	3.2
109.02951	1.3
113.02477	1.1
117.01942	2.0
119.05029	3.6
131.03505	1.5
133.02963	1.6
134.03778	2.3
135.03012	100.0
135.04539	35.7
136.03329	1.6
136.04907	1.5
147.04532	92.8
148.04897	2.7
149.04541	0.8
161.02484	4.2
165.05577	31.8
166.05954	1.2
179.03531	5.1
253.08641	0.7
267.06656	1.7
282.08868	1.4
297.09796	35.9
298.10248	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	297.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52983	20.8
59.01387	53.0
60.06437	22.4
69.37914	100.0
69.38257	40.2
70.00139	22.0
71.01370	24.4
72.99249	22.2
97.06575	24.3
97.57230	24.8
110.90068	25.1
111.00886	31.8
121.09943	22.2
135.03020	99.9
151.95866	25.3
240.04327	28.3
254.11903	27.6
298.10706	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
59.63905	0.3
65.99084	0.3
73.90099	0.3
76.67183	0.3
81.83970	0.3
104.14445	0.3
106.06634	10.7
108.08202	1.2
121.05319	1.7
134.06134	100.0
135.06491	2.9
136.04077	1.0
136.07693	44.6
137.08020	1.5
224.16298	0.3
253.09819	0.4
253.13570	0.6
269.13086	0.7
282.10123	1.1
297.12463	45.0
298.12802	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	297.1709
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
51.60456	0.9
53.76662	1.0
55.81720	1.0
57.03445	3.8
58.00586	1.4
59.01385	24.2
69.03448	1.3
69.52712	4.3
71.01385	9.8
71.05033	2.3
72.02164	2.3
73.02954	1.2
81.03462	3.3
81.07096	1.6
83.05029	20.7
84.02171	5.1
85.02951	1.9
85.69991	1.0
92.57923	0.9
95.05042	4.4
97.06599	15.0
97.83226	0.9
99.04536	2.7
99.08173	6.6
108.02189	1.0
109.06599	7.9
110.03724	2.0
111.08187	1.7
112.05318	0.9
113.09747	4.5
115.07666	1.9
119.08669	2.1
121.06635	1.4
125.09733	3.6
127.07664	22.0
135.04541	2.0
135.08159	8.9
137.09749	3.1
139.07648	7.7
143.07150	8.1
151.07672	1.7
153.09212	8.8
155.10802	3.7
157.08720	26.1
161.30801	1.0
163.07654	3.0
163.11328	1.3
164.08365	1.5
167.10742	1.0
169.08714	24.1
170.09036	1.4
178.09991	4.4
180.11591	1.1
181.08725	67.6
181.12274	10.7
182.09061	2.6
189.12750	0.9
197.08473	0.9
207.13982	1.7
208.07405	3.8
209.08165	1.3
209.11905	2.7
210.08978	35.5
211.09383	2.4
215.14355	0.9
217.15973	13.6
223.13333	1.0
228.10071	7.1
235.17062	11.9
261.14935	10.1
279.16025	100.0
280.16348	8.6
297.17093	41.2
298.03607	2.0
298.17422	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	297.1711
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
57.03447	4.8
58.00587	6.4
59.01388	8.3
60.99308	5.6
62.39325	1.3
67.00005	1.2
69.03475	2.7
71.01387	3.8
71.44673	1.6
72.99300	2.0
73.02950	5.5
75.00899	3.4
80.02662	3.3
82.91183	1.7
83.05044	5.6
84.02158	1.5
85.02955	5.8
87.00874	18.3
87.04515	4.4
95.05048	14.5
97.06596	95.6
98.03750	2.4
98.06927	1.5
99.04500	1.8
99.08159	30.0
109.06592	11.7
110.03752	2.8
111.04535	2.7
111.08170	65.1
112.08552	2.5
113.06074	2.5
123.08175	59.1
124.08488	2.2
125.06100	4.5
125.09750	3.2
126.97563	1.4
127.07677	12.3
129.09242	3.6
135.08163	6.1
136.05373	1.8
137.06097	34.9
137.09712	17.6
139.07690	2.3
141.05559	2.1
141.09253	5.9
143.07108	12.6
149.06180	1.7
153.09232	6.4
155.07162	28.1
163.07715	2.1
164.08444	5.3
165.09294	2.5
167.07137	5.2
171.10379	1.6
173.08203	74.9
181.08723	8.2
183.10275	3.1
185.08212	49.9
199.09825	2.4
217.16014	14.1
222.08911	2.5
235.17044	30.8
236.17326	3.2
261.14987	52.2
262.15381	2.8
279.16025	100.0
280.16330	6.8
282.88391	1.6
288.04953	1.7
297.03735	2.2
297.17081	82.1
297.24405	2.4
298.03329	1.6
298.17447	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	297.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21651	0.6
55.57854	0.6
64.68408	0.6
66.99892	0.7
69.10404	1.0
69.10805	2.5
92.34836	0.5
97.83876	0.6
108.87234	0.5
116.23795	0.6
125.09752	0.8
127.11294	2.2
149.17249	0.6
150.35641	0.5
152.12614	0.6
152.85617	0.5
171.10275	9.9
183.01184	3.6
184.02032	0.7
233.49753	0.6
239.84337	0.6
279.23352	12.1
280.23605	1.1
295.22733	0.9
297.15372	10.1
297.24371	100.0
298.24728	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	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.12339	0.4
58.45176	0.4
59.01367	0.9
68.91287	0.4
76.74515	0.4
93.51445	0.5
107.63570	0.4
141.12830	1.2
155.10794	13.7
183.01204	2.9
261.22137	0.5
279.23303	13.2
280.23602	0.6
282.09042	0.4
295.23001	0.6
297.15399	5.1
297.24350	100.0
298.24680	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	297.2437
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
57.03455	0.8
59.01411	0.4
69.08428	2.9
98.22710	1.0
121.06594	0.5
139.11270	1.4
149.00977	5.6
155.14455	0.8
183.01196	3.1
186.90608	0.4
223.02910	0.6
253.25258	2.6
259.05042	0.5
264.98416	2.6
265.98352	0.5
279.22968	0.5
281.01599	0.5
297.04745	11.1
297.15408	4.7
297.24365	100.0
298.04700	1.3
298.24738	7.2
299.02615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
74.99094	1.0
75.00891	0.9
80.96546	1.0
92.05090	1.2
97.04097	1.9
107.03786	1.8
108.04569	100.0
109.04919	2.5
114.05623	23.2
118.98152	1.0
134.02559	1.4
135.03026	1.4
135.04582	1.3
136.04062	47.4
137.02443	1.5
137.33484	1.0
151.00671	1.3
153.10318	1.6
155.11855	1.0
159.33502	0.9
160.04021	1.5
179.03461	1.2
183.11446	4.6
217.00320	2.3
239.05591	1.8
254.08264	1.5
254.18762	1.0
265.07391	0.9
283.08441	1.5
284.03314	1.1
298.07425	1.1
298.11032	4.8
298.14084	1.0
298.17624	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	298.1006
Annotation	E3040
Peak:m/z	Relative Intensity
59.01379	2.3
71.50134	0.6
75.48382	0.5
86.39075	0.5
103.04289	12.3
131.03787	100.0
132.04173	1.8
135.65640	0.6
138.29428	0.5
217.00282	2.5
244.73541	0.5
259.64999	0.6
284.03296	0.8
298.10068	24.6
298.15338	1.0
299.05499	0.8
299.10388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0562
Annotation	Koparin
Peak:m/z	Relative Intensity
59.01386	1.3
59.96086	0.2
63.66502	0.2
65.00327	13.0
68.85381	0.2
70.77100	0.3
75.00837	0.3
75.80372	0.2
91.77773	0.2
108.02200	0.6
108.99336	0.6
109.12683	0.2
109.14619	0.2
110.00127	0.8
111.00887	0.3
117.03444	1.4
119.01377	0.6
132.05756	0.4
136.01665	0.4
136.98814	18.9
137.02426	0.3
139.00423	0.5
141.03415	0.3
149.99611	1.1
155.05022	0.4
156.05786	1.1
158.03751	0.9
159.04489	0.4
160.05234	0.2
163.00430	0.8
164.01131	2.2
164.98323	0.5
165.99106	1.0
166.99841	0.6
172.05356	0.4
174.99252	0.3
183.04527	1.9
184.05309	1.8
185.00876	0.3
185.02422	1.3
186.03241	2.7
187.03922	0.4
190.99841	0.4
199.04031	0.8
200.04828	3.1
211.04031	2.3
212.03029	0.2
212.04808	4.7
213.01926	0.4
214.02757	0.9
216.04306	0.5
217.00389	1.2
227.03539	3.7
228.04298	2.5
239.03528	0.7
240.04047	0.4
253.35164	0.2
255.02936	1.2
256.03699	1.2
267.02985	0.3
271.02362	0.2
281.17471	0.3
283.02475	4.1
284.03281	100.0
285.03641	5.3
299.05624	34.7
299.18661	0.6
300.05902	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
55.01886	1.2
57.03453	0.6
57.98939	0.7
59.01384	74.3
68.52705	0.7
70.17020	1.0
70.17338	1.0
71.01387	29.4
71.49763	0.7
72.99319	1.5
73.02951	2.1
83.01403	2.5
85.02964	6.9
88.04047	2.8
89.02453	26.4
92.02689	1.4
93.03465	19.1
95.01389	2.2
98.22605	0.9
101.02458	14.0
107.05066	1.7
113.02457	13.2
114.05648	2.0
119.03519	8.9
121.02959	5.0
135.04539	2.0
136.01683	7.2
136.05321	21.3
136.06960	0.8
137.02457	100.0
137.06079	8.7
138.02789	2.6
138.05583	4.0
149.02438	1.8
151.04045	6.8
161.04489	1.4
167.47615	0.8
174.99265	6.3
179.03513	30.0
179.07051	1.1
180.03888	1.1
192.55931	0.8
209.04626	3.7
211.14378	1.0
217.00304	20.4
239.05627	13.5
284.03268	4.8
299.07776	52.4
300.08200	2.4
300.19299	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0928
Annotation	Gymnogrammene
Peak:m/z	Relative Intensity
52.54866	0.4
59.01386	5.0
63.02391	1.3
65.00336	2.5
93.03465	10.8
95.01411	0.7
96.02189	2.0
97.02972	1.3
98.21902	1.4
107.01394	2.0
108.02166	2.2
117.03478	0.8
119.05043	4.2
121.03004	0.6
122.03762	0.9
123.00932	0.6
124.01672	55.3
125.02002	0.8
133.06604	7.0
133.07542	0.7
134.02509	0.5
136.01677	10.9
137.02415	0.5
138.03271	2.1
139.04025	100.0
140.04375	2.0
145.02980	0.8
149.99577	0.7
150.03230	2.6
153.05602	3.8
157.06660	0.4
163.00360	2.7
165.01932	4.0
169.03046	0.3
174.99231	1.4
177.01974	4.5
178.02737	16.7
179.03056	0.6
193.05069	38.0
194.05397	1.2
196.04051	4.4
196.16049	0.4
205.05052	0.8
210.01714	2.4
217.00316	5.1
240.02910	0.7
266.96552	0.4
268.02441	1.3
282.99463	1.3
284.03384	2.3
286.03610	1.8
299.02628	1.6
299.05914	0.9
299.09244	23.1
300.05350	2.0
300.09555	1.5
304.72839	0.4
317.55701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
58.00589	1.4
59.01384	81.3
59.16108	0.6
60.01711	0.9
61.88847	0.6
65.03970	0.8
69.18716	2.7
71.01389	43.1
72.99296	1.0
73.02943	1.5
74.99101	0.9
83.01410	2.6
85.02966	9.0
87.00876	1.4
89.02453	48.5
93.03467	65.8
94.03793	1.6
95.01393	2.6
98.21928	1.1
101.02454	22.7
113.02453	16.4
119.03532	20.0
119.05026	27.8
121.02959	1.2
123.03278	6.2
131.03523	1.6
136.04041	0.7
136.05319	3.5
137.02458	100.0
137.06061	2.8
138.02777	2.3
138.05623	59.1
143.03523	2.0
149.04559	1.8
150.05623	1.0
151.05975	0.7
152.07172	0.7
160.04089	0.7
161.04532	3.3
174.99229	1.6
178.05074	3.4
179.05496	10.0
180.06706	0.7
217.00313	4.9
284.03210	1.2
299.08044	1.2
299.11295	2.8
300.11032	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	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03444	1.2
58.00603	0.9
59.01384	100.0
60.01704	0.8
68.93074	0.6
70.98693	0.9
71.01386	41.9
71.31681	0.6
72.99303	1.2
73.02953	1.5
75.03223	0.6
83.01404	1.6
85.02965	8.2
87.00911	1.2
89.02449	54.8
93.03487	2.6
95.01409	3.7
101.02448	24.5
113.02457	18.2
113.03259	0.7
119.03527	21.0
119.05026	29.6
120.05334	1.0
121.02986	0.7
123.03277	4.0
125.02398	0.7
131.03539	1.5
136.05319	2.2
137.02475	4.0
137.06039	3.4
137.97136	0.7
138.05618	39.4
143.03539	2.5
149.04597	1.6
161.04637	1.7
178.05232	0.7
179.05659	3.0
208.37761	0.6
242.18858	0.6
257.99582	0.7
299.11496	2.9
300.11093	2.4
305.03970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36938	0.6
54.34991	0.6
55.01898	0.9
56.89914	0.5
57.03457	1.1
58.00613	0.8
59.01385	100.0
60.01730	0.7
60.12539	0.6
71.01387	46.4
72.99313	2.6
73.02969	2.4
74.99110	2.8
83.01414	2.0
85.02966	8.1
87.00917	2.0
87.41637	0.6
89.02454	58.5
90.02797	0.9
95.01405	4.3
101.02449	27.4
101.26573	0.5
113.02452	20.4
119.03520	24.4
119.05009	12.4
119.05811	1.0
119.34076	0.8
121.03014	0.6
131.03516	2.0
137.06116	1.3
138.05659	1.8
143.03569	2.2
149.04584	1.3
161.04553	1.1
174.99330	0.6
179.05646	3.4
188.45473	0.7
217.00400	1.9
227.03342	0.7
237.04337	0.9
256.13425	0.9
284.03308	3.5
299.02347	1.0
299.05783	1.7
299.11417	2.7
299.15063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.114
Annotation	Salidroside
Peak:m/z	Relative Intensity
57.03456	0.6
58.00596	1.1
59.01384	100.0
69.06864	2.7
69.07269	1.5
71.01388	48.3
72.99341	1.3
73.02980	1.6
74.99139	1.4
81.47983	0.6
83.01409	2.1
85.02952	9.3
87.00898	1.4
89.02451	59.8
90.02806	1.1
95.01409	2.9
101.02450	28.5
107.05021	1.2
110.02505	0.7
113.02458	18.0
119.03520	26.7
119.05010	12.7
127.11279	0.6
130.08723	1.6
131.03551	2.4
133.01678	1.6
134.02501	7.4
137.06102	3.9
138.05675	1.0
143.03520	2.4
143.11928	1.0
149.04619	1.4
151.56114	0.6
161.04564	1.6
179.05571	1.3
214.15678	1.7
218.61826	0.6
218.63919	0.7
253.62706	0.6
284.03485	1.2
299.02213	1.0
299.11386	10.7
300.15771	2.3
322.21362	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Icariside D2
Peak:m/z	Relative Intensity
55.01872	0.7
57.03455	0.5
57.27372	0.2
59.01385	10.1
70.91024	0.3
71.01392	12.1
71.94057	0.2
72.99317	0.4
73.02958	3.5
75.00896	0.2
81.03458	0.7
83.01404	1.3
85.02962	4.3
87.00871	0.4
88.04052	0.7
89.02459	2.1
93.03471	3.6
95.01373	0.7
95.05007	0.2
96.01817	0.2
97.02978	0.3
99.00901	1.2
101.02456	5.9
106.04261	6.6
107.05067	1.8
108.02203	0.4
113.02461	5.2
119.03533	0.8
119.04250	0.3
119.05051	5.9
121.02983	0.4
125.02431	0.4
132.98248	0.2
135.04529	0.9
136.01662	0.3
136.05330	1.9
137.02495	10.9
137.06097	100.0
138.02785	0.3
138.05635	0.2
138.06461	3.0
143.03485	0.2
151.04068	0.5
159.03029	0.7
161.04593	4.7
174.99283	1.4
179.03529	2.2
199.74802	0.3
209.04576	0.4
217.00313	4.7
239.05635	0.9
284.03326	0.9
286.31158	0.3
291.38663	0.2
299.07864	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	299.1867
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03449	3.8
59.01387	4.3
69.03449	2.6
69.54131	2.1
71.01388	1.8
71.05032	1.1
79.52879	0.5
83.05028	1.7
85.02964	9.4
85.06605	0.6
95.05045	2.7
97.02951	1.0
97.06597	11.2
99.08179	3.4
107.01374	0.6
107.05000	0.7
109.06615	1.6
110.03776	1.0
111.08126	0.7
112.80413	0.5
119.08674	0.5
121.06624	1.2
125.06097	2.5
127.07713	0.6
127.11309	2.1
134.02469	1.4
135.08136	0.7
136.98801	0.6
137.09750	3.2
139.07677	0.8
139.11270	3.8
143.07155	19.6
147.08253	0.7
149.09779	2.9
155.10809	7.3
157.08728	1.4
163.11295	0.8
165.09227	1.6
165.12865	0.7
167.10796	1.0
175.07581	1.0
181.08728	2.0
183.10292	21.9
184.10507	0.8
193.08754	2.0
201.11349	10.4
207.10205	4.0
210.21037	0.7
211.09814	1.1
217.00307	1.0
219.17499	0.9
225.11324	2.0
238.30583	0.6
243.03064	0.8
255.02953	1.3
263.16547	3.3
271.02554	3.9
281.17651	1.6
284.03394	1.2
299.01962	1.1
299.18661	100.0
300.02679	3.3
300.19028	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	299.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65774	0.4
53.16078	0.6
55.01892	1.4
57.03454	8.4
59.01388	2.8
69.03467	10.2
69.35474	1.5
69.35881	1.1
71.01382	0.8
71.05019	0.7
79.85282	0.5
81.03474	0.8
83.05047	1.1
84.02184	0.5
85.02961	31.7
95.05047	2.1
97.02948	4.5
97.06590	9.4
98.01234	0.4
99.08176	3.8
108.05846	1.1
109.02934	0.6
109.06605	3.1
110.03766	1.1
111.08216	0.9
113.55799	0.5
119.08707	2.0
125.06097	6.2
126.06429	0.6
127.51920	0.5
135.08185	1.3
137.09738	12.3
143.07155	80.1
144.07521	1.9
149.09776	1.5
155.07124	0.5
155.10768	1.8
156.89423	0.7
163.11324	3.5
167.10765	0.7
173.08250	1.7
181.12346	1.0
183.10301	2.8
193.08783	0.6
201.11372	0.9
207.10292	20.5
208.10736	0.7
211.09737	0.7
217.00316	1.0
219.17618	1.1
225.11362	10.0
226.11742	0.7
243.03059	0.6
255.03128	1.0
263.16483	2.7
271.02502	2.3
281.17419	0.8
284.03342	1.2
299.01822	1.1
299.15121	13.4
299.18622	100.0
300.02777	2.8
300.15756	0.7
300.19034	5.5
318.68146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01383	1.3
74.49841	0.1
87.57237	0.1
88.86568	0.1
98.21817	0.4
174.99245	0.5
196.64485	0.2
213.09198	0.4
214.09982	0.3
215.10793	0.3
217.00356	1.4
227.10773	8.1
228.11243	0.6
237.22177	0.7
241.12369	0.6
245.57726	0.2
269.15375	0.8
281.21332	0.3
283.16977	1.1
284.03262	0.7
284.17767	0.5
299.20154	100.0
300.20490	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	299.2594
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.47820	0.3
59.01388	2.1
66.45851	0.3
77.50753	0.3
89.19491	0.3
95.05180	0.3
98.93876	0.4
141.12883	2.2
154.99603	0.3
155.14368	0.4
169.62302	0.4
183.84857	0.4
217.00244	0.8
253.25238	1.6
281.24942	2.5
282.99673	0.5
284.03326	1.3
297.24298	0.8
299.20258	7.3
299.25934	100.0
300.20490	0.4
300.26306	6.0
304.40903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00320	0.0
60.05733	0.0
63.15868	0.0
65.99851	0.2
69.09113	0.1
69.09517	0.2
78.03506	0.1
84.61435	0.0
93.85831	0.0
106.02982	0.1
108.02164	0.1
116.90027	0.0
120.00896	0.1
121.01682	0.2
121.02979	0.1
123.00898	0.1
133.01723	10.5
134.02493	100.0
135.02837	2.7
136.45906	0.0
146.03717	0.1
148.00443	0.1
149.01204	0.7
158.03760	0.1
164.03593	0.1
167.03522	0.1
177.00687	0.1
184.03947	0.1
186.03235	0.2
212.03548	0.4
213.02007	0.2
213.04309	0.3
214.02721	2.0
215.03087	0.1
228.03038	0.1
228.29591	0.0
229.05112	0.1
240.03069	0.4
241.03822	4.0
242.02208	3.0
242.04086	0.2
243.02585	0.2
244.02652	0.1
256.06210	0.7
257.04535	0.5
268.02505	0.1
272.05682	0.1
285.02805	2.7
286.03201	0.2
300.05151	33.5
301.05518	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	300.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45405	0.5
53.44939	0.6
59.01366	1.3
70.71811	1.2
72.59442	0.6
104.01447	1.3
107.01419	4.5
120.00916	1.8
130.93391	0.6
133.01712	42.2
134.02499	35.6
144.04558	1.0
148.00418	6.5
148.04065	14.1
168.04567	1.1
173.08293	0.8
180.03038	100.0
181.03375	3.8
184.04071	1.1
185.04831	2.4
196.04034	2.8
200.03484	1.2
212.03578	5.3
213.04311	7.2
214.02771	0.8
221.27489	0.7
228.06648	1.8
240.03117	3.2
241.03836	33.8
242.02179	2.1
242.04352	1.3
256.06168	1.2
262.60324	0.7
268.02466	1.1
285.02887	5.7
299.18893	0.8
300.05161	72.0
300.18997	1.3
301.05380	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	1.3
59.73421	1.4
60.49949	1.3
64.40884	1.3
65.00340	4.4
65.99856	23.2
68.99823	14.4
70.31705	3.1
80.81075	1.4
99.00893	9.4
101.02451	4.2
106.13588	1.3
106.48845	1.3
111.00917	1.6
123.17262	1.4
129.03455	1.3
130.08812	1.7
136.98825	5.8
140.01189	3.5
140.05077	2.0
144.04565	82.6
145.03029	3.2
145.04939	3.4
146.02513	3.4
147.04533	4.6
151.00485	1.5
154.03040	2.3
156.04575	26.9
164.09566	1.5
167.03773	1.5
168.04570	93.8
169.01498	1.6
169.02980	3.0
169.04877	2.6
169.08751	3.4
170.02531	4.7
172.04066	30.6
173.04379	1.6
177.07367	1.6
180.01312	2.9
180.04584	2.4
184.04094	1.8
190.05115	7.4
196.02245	3.3
196.04057	66.2
197.02484	14.8
197.04434	5.0
199.02762	1.8
200.03549	69.6
201.03925	3.3
212.03554	33.0
213.02025	1.6
213.03972	1.6
214.05119	13.7
224.03540	48.4
225.04106	3.7
240.03041	16.0
241.03716	3.6
242.04552	1.5
254.04671	5.7
256.06229	2.6
268.02539	65.5
269.02927	2.0
282.04108	13.4
286.03680	4.6
299.18692	5.6
300.05209	100.0
300.18945	3.9
301.05450	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	300.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56910	1.1
57.91739	1.3
59.01395	1.4
60.30568	1.1
65.00314	3.0
65.99848	13.9
68.99837	6.8
93.34634	1.3
98.22645	1.9
99.00889	4.6
101.02431	2.9
101.03957	1.5
105.13663	1.1
105.31435	1.1
127.32071	1.2
136.98849	3.8
140.01213	2.4
140.05075	1.3
141.03558	1.4
144.04558	45.5
145.02928	1.5
145.04938	1.8
146.02545	2.4
147.04468	2.2
156.04576	13.0
168.04561	52.6
169.01440	1.3
169.02922	2.0
169.04982	2.6
170.02441	1.6
172.04065	15.1
173.04401	1.2
184.04044	1.6
190.05107	6.5
194.11903	1.4
196.04031	38.0
197.02444	6.2
197.04182	1.8
200.03542	37.7
212.03516	25.0
213.02322	1.3
213.04208	5.8
214.05069	7.3
224.01297	1.9
224.03529	33.5
224.05602	2.2
225.04121	1.6
240.03021	19.3
241.03810	43.9
242.04323	2.5
254.04581	6.2
254.68329	1.2
268.02542	39.7
269.02884	1.7
282.04025	6.9
285.02768	7.0
286.03397	2.2
300.05145	100.0
301.05530	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	300.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98152	0.5
65.99847	2.4
81.03473	0.6
92.01455	0.8
94.02993	9.4
98.21784	1.0
109.01663	0.9
109.02969	1.3
118.02997	1.9
120.00923	9.2
121.01680	1.0
122.02491	2.5
123.03247	1.1
124.04048	2.4
133.01711	1.3
134.02496	3.8
136.01656	0.8
148.00421	59.0
149.00813	1.6
150.01985	1.4
152.03554	24.9
153.03862	0.7
165.00687	57.8
166.01144	0.8
168.04555	0.6
180.03040	82.6
181.03691	4.4
182.06262	0.6
184.04015	1.2
185.04930	1.1
196.03984	2.0
212.03508	6.4
213.04335	10.7
214.04672	0.7
224.03563	3.0
240.03067	11.6
241.03825	82.2
242.04187	3.4
256.06104	0.8
268.02536	22.1
269.02969	2.0
270.04147	1.1
272.05655	0.7
281.12985	0.7
285.02835	14.2
286.03189	1.0
300.05164	100.0
301.05579	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	300.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
65.00319	0.9
65.99863	3.8
72.92073	0.7
92.99789	1.4
93.40173	0.7
98.22604	2.5
99.92609	0.8
101.47591	0.7
117.03458	2.3
118.03010	11.6
120.00937	1.5
128.05038	1.0
134.02478	2.0
138.05563	1.0
141.03456	1.3
141.93707	1.0
142.03059	1.0
148.00389	1.0
156.04530	1.3
158.02490	4.0
165.00734	0.9
168.04625	4.6
169.02937	3.1
172.04053	5.3
180.03076	1.7
180.04510	0.9
184.03987	1.0
196.04051	100.0
197.04370	4.6
200.03613	5.3
212.03549	27.5
213.03883	1.1
218.00601	0.8
224.03519	3.3
240.03041	21.3
241.03514	1.0
268.02536	30.0
269.02832	2.5
283.99652	0.8
285.03528	0.9
286.03589	43.4
287.04028	2.2
300.05179	54.6
301.02676	0.9
301.05603	3.5
306.48553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47764	0.6
59.01370	0.8
65.00316	0.9
71.42220	0.6
93.03419	0.7
107.01376	0.6
111.55353	0.4
114.80829	0.5
127.02459	0.5
134.02431	0.8
142.02991	0.7
143.07060	1.1
145.02943	0.6
146.02515	1.2
151.00371	1.5
157.05338	2.2
161.31711	0.5
168.04565	4.8
172.04050	1.1
181.05336	0.8
182.06184	0.8
182.76952	0.5
185.04805	1.4
196.04054	22.1
197.04672	2.6
198.03297	0.6
198.05591	0.6
199.02779	2.6
200.03479	0.8
211.13243	0.6
212.03528	2.3
214.05135	0.8
224.03557	100.0
225.04251	21.1
226.05101	7.6
240.02983	3.4
241.01437	1.0
241.03830	16.2
242.04298	0.6
245.04529	1.3
256.03519	0.9
256.06177	9.8
257.06577	0.8
273.04132	1.5
281.15771	0.5
285.03247	1.0
299.18768	0.6
300.05185	25.0
300.18997	0.7
301.06000	0.8
301.20206	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	300.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
69.89809	0.7
70.23476	0.8
70.36297	1.6
72.44243	0.9
78.03477	1.2
79.63453	0.7
82.77162	0.7
83.06819	0.7
98.22471	0.9
106.02978	5.5
118.03001	100.0
119.03335	3.1
134.02512	1.1
150.01981	10.1
164.89703	0.8
165.04321	16.5
166.04611	1.1
174.52534	0.7
209.04808	0.9
224.07063	1.0
253.03877	5.0
268.06177	61.7
269.06473	3.5
285.06470	1.4
300.05594	1.4
300.08765	8.6
314.65964	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02605	0.5
53.27591	0.5
53.56073	0.5
59.01366	0.7
59.71199	0.5
67.04530	0.6
78.03506	0.6
81.11040	0.5
91.10942	0.5
101.03834	0.5
106.03004	1.3
107.03765	1.3
108.04546	1.5
132.04570	100.0
133.04901	3.9
134.02496	3.2
135.02727	0.6
136.04074	1.7
151.02753	1.7
166.05133	4.3
180.03224	0.6
224.07214	1.9
268.06180	49.9
269.06494	2.7
282.07800	0.9
285.03339	0.7
300.05594	0.8
300.08728	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
60.01738	0.2
68.01409	0.6
70.91196	0.3
71.01388	0.7
82.37446	0.2
85.02934	0.2
89.02442	0.6
90.76580	0.2
93.03430	0.3
95.05023	0.2
101.02430	0.3
102.02853	0.2
113.02498	0.2
114.05614	0.4
119.05080	0.3
120.05405	0.3
122.02512	0.5
122.06127	0.3
123.03281	10.3
124.03628	0.3
124.07701	0.3
131.62772	0.2
133.54272	0.2
136.07722	0.2
137.04814	0.8
138.05624	100.0
139.05963	2.6
140.62798	0.2
140.82695	0.2
152.07207	0.7
164.00204	0.2
165.04344	0.6
167.05922	0.5
180.06677	2.0
207.41064	0.2
300.10938	5.1
301.11313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1931
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
50.56077	0.3
53.44151	0.3
65.33425	0.3
66.03481	0.6
73.04076	13.0
74.02455	0.5
82.06621	3.0
83.02516	2.9
84.08195	0.8
97.06607	0.9
107.58157	0.3
112.07593	0.4
114.09270	0.5
125.10827	0.5
126.08980	0.3
129.10359	1.1
130.08754	58.7
131.09096	1.3
133.01718	9.1
134.02498	100.0
135.02864	3.0
139.08791	3.3
140.07242	0.3
141.10353	4.3
143.11925	1.3
169.09833	14.9
170.10153	0.4
181.87381	0.4
182.15501	2.6
186.12457	0.6
199.18179	22.9
200.06003	0.3
200.18538	0.7
214.02722	0.8
224.03378	0.3
229.05052	0.8
240.02946	1.4
241.03830	7.3
243.17085	1.3
256.06125	1.4
256.20334	8.6
257.20657	0.5
268.02432	0.3
285.02914	0.5
300.05243	3.3
300.19305	52.0
301.19592	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	HIERACIN
Peak:m/z	Relative Intensity
59.01376	0.7
59.12303	0.3
59.30927	0.3
63.02402	9.4
65.00329	16.9
69.21683	2.0
74.68593	0.3
77.85206	0.3
83.01392	10.7
93.03465	6.0
95.01393	0.7
96.02192	0.3
107.01398	24.8
108.01630	0.4
108.02250	0.6
108.04570	1.0
108.99289	0.6
109.02952	2.9
111.00861	0.4
112.67886	0.3
114.05140	0.3
115.07616	0.3
119.05042	0.4
121.02965	22.1
122.03294	0.6
123.00874	0.6
124.01683	1.0
124.07669	0.7
125.02440	1.1
133.02992	0.3
135.04584	0.4
136.01636	0.4
136.07690	1.9
137.02438	0.5
138.13275	0.3
139.03984	2.4
145.03032	0.5
147.04631	0.3
148.01645	0.4
149.02454	3.0
151.00380	71.5
152.00786	1.6
159.04526	1.4
161.02449	1.0
163.00414	2.2
163.04008	1.2
164.01158	1.9
165.01955	0.6
169.01447	4.5
171.04561	0.4
173.06177	0.4
174.03215	0.3
175.04027	1.1
177.05611	0.5
178.99867	26.5
180.00217	1.0
183.04515	1.0
185.06091	0.5
187.04068	1.5
192.00592	0.4
193.01404	1.5
199.03970	0.5
201.05612	1.0
203.03561	0.6
205.05038	0.8
211.04015	1.0
212.04980	0.3
215.03491	0.6
227.03534	1.4
229.05046	2.4
230.02267	0.6
231.03070	0.5
243.03085	0.6
245.04587	3.2
255.03024	1.0
256.03714	0.4
257.04672	1.1
257.12976	4.1
257.17313	0.4
271.02536	0.4
273.04065	4.7
299.02161	0.5
301.03540	100.0
301.20178	2.8
302.03912	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
59.01376	1.4
63.74681	0.4
69.03458	2.0
69.07389	0.6
71.01397	0.8
71.40616	0.5
75.00858	0.6
81.03461	1.2
83.01400	1.4
85.02928	0.6
88.04056	0.8
89.02467	0.5
95.01403	1.0
97.02962	2.1
101.02485	0.6
107.01409	1.0
114.05671	0.5
116.07151	0.5
123.00896	3.7
123.04501	0.6
124.01682	16.5
125.02460	50.8
126.02811	0.9
130.06641	11.3
130.08745	0.5
131.06972	0.6
137.02478	0.7
137.06030	0.5
140.07170	3.5
141.98242	0.9
149.99606	28.0
151.00351	3.0
168.00659	70.1
169.01407	7.3
175.07893	0.5
187.98857	0.5
203.08289	1.8
213.03465	1.4
241.03947	0.9
243.85110	0.5
255.04666	0.6
255.09558	0.5
273.96838	0.5
283.04602	7.0
286.04834	0.7
301.05634	100.0
302.06046	5.0
316.63367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0721
Annotation	Drimiopsin F
Peak:m/z	Relative Intensity
65.00339	5.8
66.01091	1.2
67.01882	0.8
67.03223	0.8
68.99836	1.5
69.04317	2.0
69.04726	3.4
69.89416	0.7
70.14091	0.7
80.94895	0.9
82.00603	9.2
85.94398	0.9
93.03460	4.8
94.00639	1.2
95.01414	3.6
96.99350	0.8
97.32111	0.8
98.21865	1.4
110.00108	69.4
111.00999	1.0
119.05044	23.0
120.05412	0.9
120.80039	0.8
123.00932	4.3
124.01685	9.2
124.98830	2.0
134.02515	1.4
136.98822	5.4
137.02499	1.2
137.99614	19.2
139.00403	16.2
151.00372	2.4
152.01176	9.7
159.04550	1.3
165.99091	61.3
166.99872	24.4
178.99834	3.9
180.00671	16.2
181.01425	11.9
183.13908	3.0
185.06140	2.3
192.00690	2.5
193.01340	1.4
201.05554	0.9
207.02980	2.0
229.05142	4.1
230.05840	3.1
230.61475	0.8
258.05450	2.0
270.04135	1.8
274.04419	0.8
286.04865	100.0
287.05289	6.5
301.07214	74.4
301.20236	4.6
302.07455	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	301.0721
Annotation	Aromadendrin 4'-methyl ether
Peak:m/z	Relative Intensity
57.61918	0.7
59.01386	1.3
63.02414	7.4
64.57491	0.7
65.00331	13.0
69.29294	3.2
80.02698	1.1
83.01385	10.1
93.03486	1.0
98.22648	1.7
107.01402	23.1
108.02197	12.3
109.03020	0.9
123.00900	1.0
123.04542	3.9
125.02383	0.9
134.03757	35.3
135.04443	1.6
136.01674	9.0
136.07724	1.1
149.06096	21.2
150.06468	0.7
151.00386	55.6
152.00914	1.1
164.01166	15.0
165.01907	2.4
165.12862	1.3
169.01471	3.7
172.59114	0.7
173.02769	0.8
174.03221	1.6
175.03960	0.9
177.01927	6.8
183.13867	3.4
196.00174	2.6
199.04050	1.1
200.04826	0.8
201.01991	1.2
215.03416	0.9
226.05157	0.9
227.12874	0.9
245.04546	1.9
258.69202	0.7
259.54684	0.8
264.30035	0.8
284.05673	1.6
286.04660	3.9
301.07199	100.0
301.20297	2.5
302.07367	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	301.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49162	0.9
57.03450	2.7
59.01376	3.5
71.05025	1.3
84.94664	1.0
85.02955	3.4
86.35563	1.0
91.03988	1.2
97.06582	1.0
107.01394	2.0
111.08141	3.2
134.02502	5.4
147.40230	1.0
150.02042	1.3
151.00394	2.9
165.12868	33.5
166.13132	1.3
171.10188	1.0
183.13922	100.0
184.14230	3.8
209.11803	4.8
217.04147	1.1
223.38133	1.1
226.05150	1.5
227.12918	39.2
228.13258	1.9
237.18715	2.9
245.04568	2.1
270.04074	4.5
273.04022	2.8
286.04813	1.9
301.03329	1.1
301.11331	1.2
301.13950	1.4
301.16571	21.2
301.20221	28.1
302.17053	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1662
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97506	0.9
69.71020	0.5
72.40628	0.2
74.99094	0.6
81.21059	0.2
93.00137	0.3
95.38928	0.2
98.21931	0.4
118.96208	0.9
120.97865	0.2
134.99408	7.4
136.97327	2.7
141.07469	0.4
143.05341	0.8
150.98962	0.4
159.08467	1.6
161.06407	7.0
201.04103	0.8
203.05659	4.0
205.03625	1.2
215.05701	1.1
217.07217	93.5
218.07329	5.0
226.05121	0.2
235.08174	0.3
259.53424	0.2
261.06253	0.6
270.04257	0.3
283.11865	0.7
283.14908	0.2
285.13495	39.7
286.13614	2.9
301.16608	100.0
302.16812	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	302.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.1
63.85571	1.1
66.65411	1.0
69.03439	1.2
72.32297	1.0
82.00600	3.7
83.01389	4.3
93.01327	1.1
107.01369	1.1
110.00106	3.5
111.00889	50.2
124.07688	1.3
133.01691	2.2
134.02495	49.2
145.02975	1.0
146.02486	6.7
158.06061	2.3
159.04503	1.3
160.04053	21.2
165.00688	2.1
168.04556	1.3
172.04015	1.4
183.24542	1.1
184.04033	4.0
186.05594	10.6
187.04001	2.7
188.03520	3.8
196.04027	2.6
201.05614	1.5
202.05145	4.6
211.02776	1.4
212.03543	24.4
213.04222	3.4
214.05119	7.3
215.03670	1.3
216.07935	1.4
217.08662	2.2
226.05067	2.4
228.03033	9.4
230.04532	8.4
239.02289	2.2
240.03032	100.0
241.03485	6.1
258.04047	18.0
270.04105	28.5
271.04568	1.1
302.03101	71.9
302.06580	2.7
303.03458	2.5
303.08939	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	84.8
61.98815	24.8
67.16421	15.3
71.01376	49.9
74.02491	86.7
82.67184	14.6
87.05634	19.7
88.04029	21.9
90.92258	18.7
97.06620	24.6
101.02435	33.3
101.07217	26.9
113.02410	16.0
123.00864	100.0
124.01176	74.6
129.10275	21.1
134.04727	43.2
138.03212	58.7
139.03531	75.3
140.04362	55.9
144.87032	27.3
146.99753	18.7
150.88411	14.3
214.15617	19.5
227.92796	19.6
243.03081	30.5
255.10237	18.6
258.14615	84.6
302.06146	21.7
302.09940	19.0
302.13760	42.5
302.17114	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	302.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85139	0.2
55.25620	0.2
65.99845	0.5
66.03472	0.4
78.03496	0.7
93.03427	0.5
94.02998	1.3
95.01377	0.7
107.01389	0.7
118.03000	9.2
119.03384	0.3
121.01767	0.3
122.02498	11.5
123.00910	1.5
123.02858	0.4
131.05014	0.6
134.02457	1.0
150.01981	20.7
151.02327	0.7
152.05013	0.7
170.06125	5.7
176.17223	0.2
180.04507	0.5
181.05339	0.6
182.04581	4.6
182.06082	0.9
183.04716	0.3
183.06384	0.3
184.04045	0.5
196.04045	0.5
197.04860	2.4
198.05618	11.3
199.05965	0.6
208.04048	1.2
209.04834	4.0
224.03482	0.6
225.04333	7.7
226.05107	71.5
227.03456	1.3
227.05472	3.6
228.78122	0.3
242.04498	0.5
270.04089	100.0
271.04416	5.6
271.07361	0.3
302.06723	12.7
303.06970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49493	0.4
58.21922	0.3
61.98835	0.5
66.39535	0.3
74.93748	0.4
75.22084	0.4
78.03490	0.8
84.94363	0.3
91.01897	1.8
95.01381	0.7
102.03539	0.5
106.03006	1.8
107.01405	5.2
107.03787	2.3
108.02179	0.4
108.04560	1.4
109.02952	0.5
118.03004	56.8
119.03340	1.5
120.04552	1.4
122.02483	0.4
133.01726	0.9
134.02496	89.1
135.00885	0.9
135.02881	2.0
136.04065	2.1
150.01978	0.7
151.02760	3.2
166.05119	6.6
170.06105	1.5
176.03546	1.2
180.03117	0.5
182.06175	0.5
183.04521	0.5
192.72572	0.4
197.04845	0.4
198.05641	5.2
199.03978	0.5
209.04863	0.6
225.04352	1.5
226.05125	13.8
227.03618	2.8
252.02808	0.4
256.71442	0.4
270.04099	100.0
271.04453	6.1
284.05624	1.6
302.06723	23.0
303.06937	1.4
303.16403	0.6
303.19507	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	302.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41101	0.1
59.01375	0.2
69.03460	2.8
70.03788	0.1
70.95033	0.3
78.03495	0.3
79.01915	1.1
80.20654	0.2
97.02949	1.4
101.82092	0.1
106.03013	0.4
107.01402	1.5
107.03774	0.6
108.02158	0.4
108.04575	0.5
109.02979	0.3
118.02986	0.3
120.04532	0.2
125.02449	0.9
130.44104	0.1
133.00870	0.1
133.01711	6.3
134.02492	100.0
135.00903	1.1
135.01952	0.2
135.02855	2.6
136.04057	0.7
150.01990	0.3
150.25465	0.1
151.02753	0.7
166.05096	1.7
171.04495	0.2
192.03030	0.3
198.05681	0.3
199.04041	0.7
225.04329	0.6
226.05103	4.1
227.03529	1.9
227.05479	0.2
242.04698	0.3
265.58658	0.2
270.04092	57.8
271.04413	4.2
284.05624	0.7
302.06717	8.2
303.06970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89135	0.3
59.01383	26.8
60.01725	2.8
61.01823	0.8
61.98835	100.0
115.02525	0.6
116.02617	1.2
117.00436	0.4
117.02278	1.4
117.95542	0.4
118.00574	1.0
119.00187	1.3
119.95272	1.5
125.33776	0.4
126.64222	0.3
134.97121	1.0
146.42773	0.4
147.60097	0.3
159.01518	4.2
159.96638	1.7
160.01636	11.8
161.01227	14.8
161.96309	4.8
161.98964	20.7
162.01544	3.5
162.96533	1.9
162.99078	1.0
201.02557	0.7
202.02716	3.2
203.02280	3.2
204.00012	3.6
204.02719	0.9
262.01605	0.7
304.00082	8.4
304.02805	11.6
304.99951	0.9
305.02954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	44.3
58.52673	0.3
70.57688	0.3
70.96265	0.4
138.28229	0.3
145.06859	0.4
154.06371	0.5
165.39420	0.4
168.13963	100.0
169.14299	3.9
195.13936	0.8
212.12990	1.6
304.19150	0.9
305.17493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34440	1.0
59.01390	1.8
60.69954	1.1
68.99823	1.4
80.42736	1.0
95.05040	1.4
96.96024	1.7
96.99325	3.4
98.22660	2.0
108.02217	1.2
109.02957	36.4
121.02979	4.6
122.03748	3.2
123.04543	2.9
133.02979	1.4
134.03717	1.5
135.04535	3.7
137.02428	1.7
142.62607	1.2
143.04953	1.2
145.02971	7.4
146.03760	8.7
149.02477	2.1
149.06082	1.1
159.04562	5.3
161.02434	4.9
161.06120	3.0
162.03275	12.3
163.04018	18.4
169.03394	1.3
171.04559	3.1
171.08185	4.6
173.06155	1.7
174.03227	13.7
174.06854	10.4
181.06677	1.5
184.05319	3.9
186.75092	1.2
187.04002	2.1
188.04816	34.8
189.05479	1.9
189.09227	64.6
190.09549	3.9
191.03526	1.6
199.07649	15.0
207.02992	15.6
217.08699	100.0
218.09094	5.9
243.10242	1.2
261.07715	43.3
261.11313	13.1
262.08047	1.9
274.07483	1.1
287.16599	1.4
305.05188	1.9
305.10352	40.6
305.17542	3.7
306.10632	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1035
Annotation	12-Oxocurvularin
Peak:m/z	Relative Intensity
51.79550	1.0
59.01363	2.5
61.33763	0.9
68.99796	1.1
69.14284	5.2
84.07935	0.9
93.03477	1.1
95.05063	1.5
96.96000	1.3
96.99329	3.1
97.91560	0.9
107.05017	1.4
107.13873	1.0
109.02956	32.8
109.03703	1.9
121.02977	6.8
122.03788	2.1
123.04525	3.1
134.03729	1.9
135.04507	3.7
136.13441	1.1
137.02437	1.4
145.02919	5.7
146.03773	8.0
147.04456	1.1
149.02428	1.4
151.04037	1.4
159.04561	5.6
161.02428	5.3
161.06082	4.6
161.93861	0.9
162.03220	12.0
163.04021	18.5
171.04530	5.9
171.08168	4.7
173.06018	2.0
173.11760	1.6
174.03239	12.2
174.06842	9.3
175.07547	1.4
184.05315	4.5
187.04059	2.2
188.04803	34.7
189.09216	67.1
190.09592	3.5
191.03456	1.6
199.07639	15.8
201.05585	1.3
203.03714	1.1
205.08713	1.1
207.03004	15.2
208.03363	1.4
217.08701	100.0
218.09088	7.4
243.06607	1.5
261.03613	1.2
261.07690	47.3
261.11288	15.1
262.08047	2.7
305.10333	53.0
305.17587	4.0
306.10718	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01384	1.3
60.26360	0.2
65.99850	0.5
69.03479	0.3
69.12010	0.6
69.12428	1.0
71.01389	0.7
82.02979	3.5
83.01373	0.6
85.02958	0.4
91.05407	0.2
92.05085	0.5
94.02988	0.9
96.04557	5.6
97.02947	0.5
101.02473	0.4
109.61751	0.3
110.06140	0.4
120.04553	1.3
122.02414	0.3
122.03753	4.8
122.06142	1.4
133.02977	1.3
134.03760	0.8
135.04497	0.4
136.04060	1.6
138.05618	100.0
139.05983	2.7
148.05302	0.3
149.04955	0.5
149.06070	1.8
150.05516	0.3
160.55260	0.3
161.04816	0.3
174.05615	0.5
174.09100	0.2
188.07169	0.8
190.05139	0.3
190.08740	1.0
191.08380	0.4
193.10890	0.3
202.08807	0.7
204.06738	0.5
216.10327	0.6
217.06244	0.5
218.06863	2.4
218.11876	1.4
219.07561	0.2
233.09290	4.6
244.09787	1.0
245.09436	0.5
261.12442	10.6
262.12842	0.5
263.14026	0.4
287.10486	1.1
289.13177	0.6
290.13803	0.6
301.45959	0.3
305.11426	15.4
305.16092	1.3
306.11746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.5
56.47707	1.1
59.01385	74.4
61.37683	1.2
69.03442	1.2
69.12433	1.2
71.01392	41.9
71.47024	1.0
72.99334	2.3
73.02958	4.6
73.98042	1.1
75.00900	1.6
79.81042	1.1
79.95774	1.2
80.96530	2.7
81.07104	2.8
82.02993	1.4
83.01401	9.6
83.05033	2.1
83.72807	1.0
84.02181	9.8
85.02973	12.0
85.06601	5.1
87.00877	2.6
89.02454	36.9
93.03479	2.0
95.01397	2.0
96.04602	1.8
99.08208	2.1
101.02456	18.1
108.02177	1.1
109.02956	1.5
109.06590	1.7
110.58789	1.1
111.00886	1.2
111.08195	6.3
113.02441	11.6
119.03542	11.6
121.02937	1.6
122.03800	1.4
123.04557	1.4
125.06091	5.6
127.04028	1.8
127.07674	31.0
131.03534	1.7
133.02979	19.4
134.03745	3.9
135.04552	19.5
138.05630	30.0
139.04021	3.5
139.06152	1.3
143.07153	6.0
149.02455	6.9
149.04559	1.2
149.06082	2.9
155.07166	8.5
161.04591	2.0
173.08212	95.8
174.08566	2.4
177.01990	2.9
178.02736	1.8
179.03554	2.0
233.09383	1.5
261.07742	1.5
261.12448	2.7
263.14508	1.2
290.13794	3.0
305.07187	9.1
305.12457	100.0
305.15955	7.4
306.12878	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	305.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26445	1.7
57.03425	2.4
59.01378	34.7
63.96246	3.8
65.73015	1.8
66.63656	1.6
69.03464	2.0
69.55351	1.6
71.01387	14.7
72.00901	4.1
72.99326	1.9
73.02946	5.5
76.97012	2.3
78.99125	1.8
79.95747	2.5
82.44184	1.8
83.05032	3.5
85.02955	8.1
89.02441	12.8
97.06614	4.0
97.83495	1.7
97.95067	1.7
101.02429	7.1
109.02943	2.3
109.06608	5.8
111.00824	2.4
111.04547	3.1
111.83390	1.9
113.02410	3.8
114.05634	8.7
119.03529	2.0
125.06082	6.3
129.06732	3.4
130.08748	94.5
132.02180	3.0
133.02988	10.3
134.03770	2.9
135.04523	8.1
136.51863	2.0
137.02455	1.8
138.05571	3.5
139.04124	1.8
143.07155	16.5
144.04559	7.4
145.03018	1.8
149.02388	5.4
150.03366	1.8
155.07103	2.7
155.11908	17.8
171.07721	4.4
173.08185	36.5
174.08626	2.2
176.01176	2.0
177.01915	3.1
186.07741	8.0
199.10886	25.1
227.13893	2.0
241.15582	54.2
273.12781	20.4
290.13098	9.6
305.06992	3.8
305.12320	49.4
305.15460	100.0
306.06744	2.1
306.12802	3.4
306.15790	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1621
Annotation	feruloylagmatine
Peak:m/z	Relative Intensity
59.01378	2.1
61.20434	0.9
66.25711	1.0
69.49373	4.4
71.01392	1.1
83.50109	1.0
84.47921	0.9
89.02457	1.5
102.92783	1.0
121.02927	1.8
127.07616	1.0
133.02959	4.6
134.03754	74.6
135.04558	14.6
138.06723	1.3
145.03012	1.1
147.04550	1.6
148.05313	21.1
149.06091	100.0
150.06430	3.4
161.02464	5.0
161.06076	11.4
162.03241	6.6
162.23640	1.2
173.08194	3.1
175.02753	2.5
176.03563	7.4
190.05116	9.9
204.06665	23.7
205.07069	1.2
218.08284	3.3
232.09793	4.2
247.10899	18.6
247.13268	2.4
248.11610	8.4
263.14026	15.0
272.10422	19.4
273.10904	2.0
288.13583	3.1
289.13077	23.0
290.13818	26.0
291.14096	1.3
305.16205	83.4
306.16541	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	305.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50901	0.6
59.01385	4.6
69.62086	2.8
70.91024	0.7
71.01390	2.8
74.02460	0.7
83.01406	1.0
85.02976	0.9
89.02464	1.2
98.21863	0.7
99.04454	0.6
101.02447	1.1
106.04231	1.0
107.04971	0.7
108.54086	0.8
121.02971	2.0
124.64196	0.8
125.06094	2.0
128.03558	1.6
132.02194	1.8
133.02975	25.5
134.03760	67.2
135.04568	16.8
137.02489	1.0
138.06715	0.9
138.97997	0.6
139.04118	0.9
143.04648	2.0
143.07158	1.6
145.02975	1.4
147.04558	1.9
148.04115	1.5
148.05313	24.5
149.06094	100.0
150.03250	1.6
150.06448	3.3
160.05341	0.8
161.02486	5.9
161.06082	14.6
162.03241	7.0
163.04036	0.8
175.02722	2.0
176.03568	8.0
177.01921	2.1
190.05115	13.2
191.05542	0.8
194.02165	1.1
204.03021	0.9
204.06667	26.9
205.07004	1.0
218.08229	4.7
219.05415	1.3
232.09850	3.9
247.10893	16.7
247.13284	3.6
248.11603	8.8
249.11777	0.7
263.14001	15.2
264.14368	1.0
272.10452	17.4
273.10828	1.6
288.13583	2.7
289.13107	25.1
290.13864	28.7
291.14191	1.7
305.06860	3.5
305.12704	2.5
305.16199	76.9
306.07944	0.8
306.16547	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	305.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.4
57.03452	8.2
58.00607	1.0
59.01383	88.3
60.01702	1.2
67.01880	0.9
68.80228	0.9
69.03452	1.4
69.72095	2.4
69.72431	0.8
71.01386	100.0
71.05013	1.7
71.42916	0.7
72.01725	1.6
72.99314	1.3
73.02951	38.9
75.00896	2.0
81.03455	1.0
83.01392	19.4
85.02956	49.7
85.29279	0.8
86.00126	1.2
86.03320	1.0
87.00873	4.9
89.02453	20.4
95.01398	9.5
96.96049	1.3
97.02968	2.6
99.00880	12.6
101.02453	85.4
102.02780	1.2
111.00889	2.6
112.02728	0.9
113.02460	42.0
113.03261	2.1
114.02757	1.0
119.02750	0.7
119.03489	5.3
119.68046	0.7
125.02483	1.7
125.88804	0.8
129.01941	2.6
131.03560	0.9
131.07106	1.4
133.02950	1.8
134.03764	9.1
135.04517	1.6
138.05632	7.7
139.34903	0.8
143.03490	3.0
143.10808	2.8
148.05353	2.2
149.06116	11.6
159.03012	8.3
159.61526	0.8
161.02522	1.5
161.04584	24.4
161.05887	1.0
161.25676	0.7
176.03529	2.4
204.06644	2.6
205.14551	0.9
218.08284	1.4
247.10910	1.9
249.89993	0.9
263.13971	1.7
272.10355	2.0
289.13107	3.2
290.13928	1.5
305.07077	1.3
305.12000	3.1
305.16028	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	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03455	2.1
59.01373	3.1
69.82687	2.8
71.05029	21.7
80.02663	1.5
81.03461	2.4
83.05042	1.8
93.03477	2.0
93.76125	1.0
95.05040	12.2
97.06583	2.9
105.89764	0.9
106.04251	2.1
107.05113	1.0
109.06609	10.2
110.03794	1.1
120.05828	1.6
121.06604	3.6
122.03743	2.6
123.04530	1.8
123.08167	2.9
125.09741	7.9
127.07690	2.0
135.08177	22.1
137.09727	1.2
141.01695	1.4
147.04539	1.7
147.08147	1.3
150.06944	1.4
161.06075	2.5
161.09746	2.0
165.09203	6.0
175.07658	2.7
185.11856	14.3
189.12863	10.2
202.46448	0.9
205.15976	6.0
206.16092	0.9
215.10780	0.9
215.14484	1.2
223.13438	1.8
231.13861	2.1
233.11871	3.5
243.17545	11.0
249.15009	9.0
261.18759	2.3
269.15445	2.1
278.58795	0.9
287.16556	61.2
288.16922	4.0
305.17618	100.0
306.17978	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	305.1763
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03440	2.0
58.17038	1.0
59.01380	3.1
65.03958	3.9
66.74464	1.2
68.42661	1.0
69.03442	2.1
69.73225	4.2
71.05025	8.2
75.53972	1.0
79.05531	12.4
82.02618	1.2
84.46459	1.0
94.84930	1.0
95.05028	2.4
97.06590	13.9
98.21951	2.4
106.04262	7.4
107.05012	2.9
108.02154	1.6
109.06609	2.0
115.93197	1.2
119.05066	1.3
120.05837	7.4
121.06602	4.2
123.08167	4.4
125.09750	16.3
135.08179	100.0
136.08495	3.4
136.70724	1.2
137.09718	2.0
139.11371	1.2
151.11229	2.3
161.06094	2.1
162.06903	1.9
163.11346	1.7
165.09084	1.2
176.08342	1.4
177.12943	1.2
185.11736	2.2
189.12888	1.9
193.98747	1.3
199.13422	1.5
205.15932	6.5
207.10324	2.3
209.11879	9.4
221.11896	2.0
233.11852	1.8
237.14992	1.2
243.17577	3.1
249.14975	50.9
250.15324	2.8
263.16580	2.4
263.43973	1.1
284.42664	1.2
287.16547	13.0
301.08313	1.4
305.17596	82.0
306.17883	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03456	2.2
59.01384	3.0
67.91090	1.1
71.01405	1.3
71.05027	38.6
93.03489	2.1
95.05038	16.6
97.06612	1.7
98.22667	3.3
98.57484	1.1
106.04245	2.1
107.05020	2.1
109.06602	12.7
111.04520	1.5
119.05036	1.4
121.06610	4.9
123.08183	1.3
127.07659	1.5
147.04524	1.5
147.08174	3.2
149.09755	2.5
150.06844	2.9
161.06104	2.5
164.08430	1.6
165.09242	12.0
175.11354	1.4
189.12840	13.9
205.15970	11.4
231.13905	2.8
233.11888	9.4
243.17513	10.5
249.14919	12.2
261.18607	3.2
263.16412	2.0
269.15494	2.2
287.16562	83.8
288.16876	6.4
305.17593	100.0
306.17892	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	305.1762
Annotation	Corrin
Peak:m/z	Relative Intensity
54.64132	2.2
57.03438	3.9
59.01383	17.4
59.35225	2.7
69.19147	16.8
71.05019	3.7
91.19586	2.5
97.06609	6.2
100.84023	2.8
109.06596	3.5
120.05810	8.9
123.04527	7.2
123.08192	4.3
125.09737	13.4
135.08173	47.0
160.08846	4.3
161.09737	2.7
175.07680	5.1
177.09128	2.5
185.11839	52.6
189.12910	6.6
243.17549	28.2
261.18542	5.7
269.15652	4.3
287.16571	65.4
288.16895	4.8
305.17581	100.0
305.21237	25.8
306.17999	8.0
306.21512	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03449	1.3
59.01374	3.3
69.83711	1.3
69.84095	1.5
71.05025	39.1
74.23933	0.7
74.72403	0.6
80.02679	1.6
81.03454	2.2
81.46599	0.7
83.05038	1.5
84.89382	0.7
91.03014	0.7
93.03469	3.5
95.05035	17.0
95.17117	0.8
106.04227	2.6
107.05009	2.4
109.06596	16.6
109.73039	0.6
111.04513	2.0
112.57654	0.8
113.57873	0.8
119.05038	1.6
121.06608	4.0
122.03750	1.3
127.04797	0.8
127.07655	1.9
132.05829	1.0
135.08199	3.8
139.07639	0.8
147.04532	2.0
147.08171	2.5
149.06102	1.4
149.09726	1.8
150.06862	2.0
161.06084	2.8
164.08472	1.0
165.09201	10.4
179.14362	1.0
189.12863	13.1
190.13234	1.3
203.14476	1.0
205.15948	9.6
231.13936	2.7
233.11798	8.2
243.17525	10.8
245.15530	1.1
249.14966	11.9
261.18680	2.2
263.16522	1.5
269.15546	2.1
287.16537	79.0
288.16895	6.4
289.14572	1.4
305.17590	100.0
306.17908	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	307.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
71.01383	1.2
81.03476	0.3
83.01338	0.4
85.02967	1.8
89.02461	0.7
91.05550	0.4
94.02980	0.6
101.02462	0.5
102.05650	0.8
107.05052	1.4
109.02973	5.8
110.63520	0.4
113.02419	0.4
117.03493	0.4
120.04602	0.3
122.06159	0.7
128.03581	0.8
129.09204	0.8
133.02971	3.8
134.03789	3.9
135.04543	96.5
136.04010	0.6
136.04880	3.2
138.05624	0.9
146.04591	1.3
146.47734	0.4
150.03270	0.8
150.05640	1.1
152.07201	0.4
161.02472	6.1
175.09837	2.5
179.03519	100.0
180.03882	4.4
229.94434	0.4
254.59099	0.3
265.04507	0.3
271.08340	0.8
271.10974	1.7
289.07120	2.1
289.12000	1.2
307.04660	0.7
307.08295	14.4
307.13797	3.8
308.08331	1.3
308.14368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62907	0.2
59.96706	0.5
60.97496	0.3
61.30077	0.3
74.99075	7.4
91.02211	2.8
91.95795	0.2
93.00134	2.3
98.22811	0.5
101.75765	0.2
126.85123	0.3
143.05363	0.4
145.29012	0.2
149.00961	3.0
159.08475	7.1
161.06409	1.5
192.98135	0.7
206.99730	2.1
209.01253	2.4
217.07164	0.9
223.02841	49.3
224.02887	3.4
236.16042	0.2
241.03900	0.5
245.19144	0.3
275.05994	0.5
289.07574	2.0
289.18042	1.0
291.09113	100.0
292.09235	9.0
307.12244	2.5
307.19113	2.6
308.12439	0.3
309.10092	0.9
315.58200	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67256	0.3
59.96712	0.5
74.99080	5.9
91.02214	2.9
93.00144	2.3
113.40125	0.2
143.05365	0.4
149.00964	3.0
159.08487	7.2
161.06409	1.5
192.98209	0.7
206.99751	1.5
209.01299	2.9
217.07219	1.0
223.02855	52.7
224.02927	3.8
241.03929	0.8
245.19096	0.4
275.05869	0.4
289.07535	2.0
289.18130	0.6
291.09131	100.0
292.09235	9.7
307.08664	0.3
307.12207	2.8
307.19250	1.3
308.12488	0.3
309.10153	1.2
311.58612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1552
Annotation	(5S)-5-Hydroxylasiodiplodin
Peak:m/z	Relative Intensity
57.03449	1.6
59.01372	0.5
68.81197	0.1
69.03457	1.0
71.01385	0.6
71.05002	0.1
73.02969	0.1
75.00871	0.6
81.03459	0.9
83.01408	1.0
83.05029	0.9
85.02959	1.3
87.00888	0.3
93.03452	0.3
95.05029	0.4
96.96004	0.4
97.02946	0.4
108.02182	2.1
109.02954	2.4
110.03745	0.5
111.01010	0.1
111.04533	0.9
113.02448	2.4
114.27637	0.1
121.02951	1.5
122.03776	0.2
123.04543	0.7
123.08143	0.2
124.01672	0.9
125.02440	0.3
126.01997	0.3
130.41008	0.1
134.03748	2.2
135.04512	0.3
135.11745	0.2
136.01659	0.2
136.05289	0.3
137.02454	0.9
138.03232	2.9
139.03983	0.4
145.10236	0.2
146.03699	0.1
149.02475	0.2
149.09729	0.2
151.03972	0.3
161.09712	0.2
163.11307	0.2
164.04796	0.5
168.04312	0.5
171.08194	0.7
179.03477	0.2
183.08176	0.4
189.09232	2.7
190.09645	0.2
193.12257	0.2
200.03297	0.7
201.09178	0.7
202.09958	0.3
207.10226	0.2
209.11900	0.2
231.13953	0.3
239.10652	0.2
240.80232	0.1
241.12318	1.5
247.13377	0.2
249.14894	1.1
259.13391	1.5
261.14966	0.2
277.14438	6.3
278.14819	0.5
289.14465	0.4
289.17804	0.2
307.15515	100.0
308.15857	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	307.1919
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03443	7.1
57.74196	1.8
59.01378	8.8
71.01379	4.5
80.21369	1.9
83.05028	3.8
95.05049	2.1
97.06584	14.7
109.06658	2.7
111.08186	6.7
123.04533	2.7
123.08189	3.9
125.09726	3.5
129.90865	2.2
130.04927	2.3
137.06165	2.4
137.09683	2.3
138.06773	2.4
149.09735	3.2
151.11282	12.8
155.10771	13.3
160.51523	2.3
163.11319	4.4
165.12842	15.3
167.10829	3.2
169.12283	2.8
177.12863	3.3
179.10814	3.6
181.12328	15.9
191.10693	4.9
191.14473	6.1
195.10255	2.6
197.11984	3.2
205.12425	3.8
209.11862	30.5
210.11971	2.9
211.13406	2.5
239.09215	3.2
245.19124	33.4
263.20251	9.7
271.17020	3.3
275.64911	2.4
279.19797	3.5
289.18112	41.1
307.19193	100.0
308.19565	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26299	2.0
57.03451	2.1
59.01385	6.1
69.48580	9.2
69.48971	3.9
74.05800	2.0
123.08186	5.7
135.04515	3.9
143.03044	2.3
151.11284	2.7
153.09302	2.7
155.10818	10.7
167.10809	3.3
168.11435	2.2
174.29803	2.0
179.03638	2.9
179.07216	2.1
181.12323	2.1
191.14441	6.1
193.01950	1.8
224.10556	2.5
245.19104	23.3
246.46335	2.4
263.20151	6.4
271.17050	3.9
279.19720	3.7
289.18124	42.4
307.19174	100.0
307.22543	4.6
308.19485	6.5
311.06293	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	307.1919
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03441	1.6
58.97335	1.4
59.01382	4.8
69.80948	4.5
95.05035	1.4
98.03735	1.7
107.05034	1.4
109.06598	3.3
111.08173	2.9
118.30919	1.4
125.09743	4.0
127.07668	2.6
137.06152	1.6
137.09712	3.3
138.06895	1.5
149.09741	2.8
151.11316	4.5
153.05501	1.3
153.09186	2.5
153.12897	2.2
155.10838	9.1
163.11304	3.1
167.10760	2.7
168.11447	1.7
169.12315	1.9
177.12852	3.1
177.88293	1.3
179.10764	2.1
185.11882	2.7
190.45497	1.4
191.14432	8.8
195.13954	1.2
197.11871	2.3
205.12294	2.4
209.11948	1.5
224.10614	2.1
239.09329	2.0
245.19144	29.3
246.19493	3.0
263.20233	8.7
271.17081	3.8
289.18140	55.8
290.18448	4.2
307.19177	100.0
308.19473	8.7
329.68713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.1
59.01373	4.8
60.64922	0.9
67.05494	1.1
69.03453	1.0
69.49209	5.3
74.68250	1.0
81.03466	4.0
87.96945	1.1
95.04988	1.9
97.02948	4.4
97.06585	1.9
109.06618	1.8
110.03759	1.8
115.07604	1.1
118.32286	1.0
121.06660	2.2
122.39297	1.1
123.04518	5.6
123.08198	2.7
125.09745	6.9
135.04625	1.1
137.09737	4.7
141.12889	2.4
146.08633	1.1
149.06064	1.6
151.11269	1.8
163.07681	1.9
163.11288	7.6
173.89467	0.9
177.12880	1.3
179.10808	1.2
181.12364	2.2
185.11835	14.3
191.14410	13.0
199.13332	1.3
207.10265	7.6
217.15991	1.6
225.11349	7.3
245.19110	37.3
246.19427	2.9
271.16995	3.0
289.18106	100.0
290.18463	6.2
307.19171	52.9
307.22827	1.8
308.19495	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
57.03440	5.5
59.01379	2.4
65.03968	61.0
69.08017	14.1
71.05026	38.3
82.95819	1.9
97.05984	3.2
97.06602	63.4
119.08684	11.4
121.06607	100.0
122.06855	1.9
123.08133	5.9
125.09733	48.4
137.09695	4.8
141.12849	2.4
163.11357	3.7
185.11839	89.4
186.12160	3.1
191.14481	5.5
207.10237	2.0
209.11862	32.2
211.13429	34.0
235.13411	90.9
236.13712	5.7
245.19016	11.2
263.20203	4.2
289.18115	48.7
307.19141	52.3
308.19473	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31094	1.9
55.01870	4.4
57.03456	3.6
59.01401	2.0
62.35209	1.9
65.03972	59.0
68.45019	1.8
69.74196	3.2
71.05025	36.0
72.05360	2.2
83.05053	2.7
83.72367	1.7
95.05036	7.3
96.96033	2.4
97.05977	4.1
97.06606	61.7
98.06940	2.2
119.08695	8.9
121.06610	100.0
122.06914	3.7
123.08165	4.2
125.09735	43.8
137.09755	4.7
165.12787	2.4
179.21037	2.1
185.11847	73.7
186.12259	2.8
191.14430	3.4
205.45135	2.7
209.11853	44.5
211.13443	31.7
214.96124	1.8
223.13342	2.9
235.13422	85.8
236.13795	4.8
245.19067	6.1
249.14995	3.8
256.14548	2.4
289.18155	27.4
307.19183	60.7
308.19434	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01241	0.6
57.03445	3.1
58.89057	0.7
59.01364	3.7
63.66396	0.6
69.03449	0.9
69.84729	2.3
71.05047	1.6
71.52474	0.7
80.02679	0.8
81.03451	4.2
83.05016	1.1
93.03452	1.1
95.05041	1.4
97.02955	3.3
97.06591	2.0
106.04250	1.6
109.06602	5.3
110.03746	2.4
111.04514	2.3
121.06607	1.3
123.04557	4.6
123.08167	2.2
125.09728	5.3
127.07670	1.3
135.08179	2.1
137.06055	1.5
137.09723	5.7
141.12872	1.7
149.06088	2.1
149.09782	0.8
151.11345	0.9
163.07692	1.0
163.11301	7.3
165.09123	1.0
165.12907	1.4
167.10779	0.8
171.10257	1.4
177.12872	2.0
179.10800	1.5
181.12323	2.5
185.11823	10.7
191.14444	14.1
195.14023	0.7
207.10335	6.7
208.80515	0.7
217.15994	1.1
225.11285	6.6
226.11993	0.9
227.18152	1.1
229.00029	0.7
234.76170	0.7
245.19121	26.2
246.19424	1.7
262.60214	0.8
263.70966	0.9
271.17004	3.2
273.31558	0.7
289.18118	100.0
290.18402	8.2
307.19162	38.4
307.22745	0.9
308.19495	2.8
310.92432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31801	0.9
57.03447	2.4
60.38988	0.9
69.16309	5.4
72.00885	1.0
73.95276	0.9
86.48154	0.9
107.05051	2.1
110.03765	3.0
121.06601	3.5
123.04506	5.9
123.08172	13.4
131.04977	1.1
138.60204	0.9
139.11325	5.4
142.02826	1.1
149.06125	1.6
149.09749	1.6
151.11293	4.3
155.14427	3.0
157.32368	0.9
177.12975	1.3
185.11855	1.5
191.14406	2.0
199.13417	30.3
199.15283	1.5
209.11794	1.0
221.11845	1.6
233.15562	1.6
239.13103	1.9
242.47325	1.0
245.19135	10.3
247.16949	1.8
271.17093	2.7
289.18155	67.6
290.18503	6.6
307.19196	100.0
308.19510	5.9
329.89459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.00521	0.9
55.01860	1.0
57.03449	4.3
59.01387	5.6
67.01893	1.0
69.03443	1.5
79.95731	1.4
80.02705	2.6
81.03468	6.2
83.01402	5.3
83.05024	3.2
95.01421	1.3
95.05040	3.6
97.02962	3.7
97.06605	9.5
98.22718	1.8
106.04240	1.6
107.05031	1.2
109.06579	2.3
110.03725	1.1
119.08592	1.2
121.06586	3.5
123.04552	10.1
123.08174	3.9
125.06084	2.0
125.09731	13.3
135.04549	2.7
135.08199	2.4
136.05283	1.7
137.09753	12.1
141.12906	2.2
149.06071	3.2
149.09715	1.4
161.09756	2.2
163.07709	2.0
163.11305	13.5
165.12840	3.0
167.10852	1.2
171.10294	2.2
177.12854	2.4
179.03564	2.3
179.10782	2.5
181.12393	4.6
185.11850	20.4
191.10803	3.2
191.14436	16.4
203.14586	1.1
207.10291	9.5
209.11852	25.3
210.12219	1.5
211.13309	2.1
217.15916	1.7
219.91005	0.9
225.11337	8.3
227.18202	1.2
229.47984	1.0
245.16588	2.0
245.19118	41.7
246.19489	2.0
247.16861	1.3
263.16437	0.9
263.20227	6.3
271.17087	5.1
287.17059	1.1
289.18109	100.0
290.18439	7.6
307.07574	1.6
307.19168	68.9
308.19348	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.01375	7.1
71.05031	5.0
71.58839	1.7
73.03750	1.6
80.02672	2.4
81.03474	3.6
83.05041	3.1
95.05024	4.3
96.96020	3.2
97.02956	6.5
97.06600	4.8
106.04333	1.9
109.06628	2.8
123.04550	5.5
123.08199	8.0
135.04538	1.9
136.05209	1.8
137.09720	2.2
139.11296	2.8
148.08867	1.8
149.09705	2.2
151.11331	8.0
163.11331	2.3
165.12859	6.0
177.12854	3.3
179.03568	1.8
182.68520	1.6
185.11777	2.0
191.14476	7.0
199.13449	5.4
203.14520	2.0
205.15967	2.3
209.11862	13.4
211.12456	2.0
217.16026	2.3
235.13448	11.7
245.11841	2.5
245.19112	45.7
245.21519	3.4
246.19420	2.7
261.18631	4.8
263.20078	2.3
268.05786	1.5
271.17194	3.0
289.18112	100.0
290.18497	5.5
307.19138	67.9
308.09024	1.8
308.19284	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.9
51.24921	0.9
52.29756	1.0
59.01385	2.1
69.73467	3.8
77.03970	4.4
87.00884	3.0
90.21227	1.0
93.03423	1.0
95.05032	5.7
95.46768	0.9
98.21920	1.7
98.69604	1.1
101.02481	1.4
105.03469	22.1
107.86843	1.1
119.05035	1.2
123.04536	1.5
133.02974	100.0
134.03339	3.6
137.43352	1.0
151.04013	2.0
157.72861	0.9
163.04005	1.7
177.01950	51.5
178.02252	1.9
183.82803	1.0
191.05667	2.3
228.26045	1.1
245.08611	1.0
302.33817	1.2
309.08246	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82866	1.1
59.01361	1.6
71.01389	21.4
72.96996	1.1
72.99329	2.5
89.02492	2.1
115.00383	37.3
117.03494	2.8
121.80896	1.1
128.81815	1.3
133.01454	83.6
133.03024	2.6
134.03764	100.0
135.04085	3.8
137.28864	1.2
149.06084	4.7
171.25194	1.2
193.05086	79.3
194.05392	3.6
210.90094	1.4
287.00418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
71.01388	26.2
89.03981	3.3
96.42988	0.7
96.95995	1.5
105.03518	1.0
115.00362	7.7
117.03481	9.0
119.05083	0.9
121.02964	0.8
131.66130	0.8
133.01425	2.4
133.02974	8.0
134.03757	97.2
135.04037	1.7
137.02444	1.1
149.06117	9.4
156.23848	0.8
175.02524	1.1
177.01915	2.0
178.02731	7.3
193.05075	100.0
194.05438	3.2
194.20033	0.8
195.17867	0.7
210.05078	0.8
213.77396	0.8
234.05186	2.4
249.03780	2.0
249.07762	1.4
251.02284	0.8
279.08795	1.5
294.04114	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1195
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01893	1.0
57.03446	1.1
59.01386	100.0
66.32643	1.0
69.16811	2.3
69.17222	3.8
69.94696	1.0
71.01390	33.7
73.02968	6.9
75.00877	1.9
78.95906	1.1
83.01385	2.8
85.02961	12.6
85.06586	4.4
87.00882	3.0
87.04559	1.0
89.02447	21.8
97.02959	1.2
99.00904	2.8
101.02454	24.2
113.02451	15.8
119.03529	10.4
120.99640	1.1
123.90614	0.9
129.05583	7.1
133.02942	1.1
134.04753	1.5
143.03477	1.8
147.06647	2.5
152.91748	1.6
159.06662	2.6
161.04570	11.8
179.05550	1.4
184.97688	1.1
237.06061	1.6
249.09830	4.8
264.94208	1.2
308.93292	1.1
309.11951	98.3
310.12341	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	309.1711
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
55.01879	0.7
57.03447	2.4
64.93204	0.3
69.03452	0.9
71.01394	0.4
72.99309	0.6
81.03468	3.0
83.01397	8.0
83.05048	1.8
85.02952	2.2
89.02470	0.4
91.65694	0.4
95.05080	0.5
96.96036	1.7
99.04539	0.6
108.02169	2.5
109.02972	3.7
110.03756	0.4
113.06135	0.9
114.46708	0.4
121.02979	1.1
123.04585	0.5
134.03770	3.1
137.02454	1.2
137.09656	0.4
138.03249	0.4
141.05582	1.6
141.47450	0.4
149.09708	0.4
154.02724	0.5
161.09679	0.5
166.06360	1.6
169.05037	0.5
171.08163	0.5
177.12950	0.6
189.09207	1.9
201.09224	0.5
235.79280	0.4
241.12344	1.1
244.70352	0.4
249.14909	0.4
250.15726	4.4
251.16173	0.4
256.31354	0.4
259.13367	0.6
271.76294	0.4
276.13690	1.2
277.14532	1.1
287.97226	0.4
291.16080	0.6
309.17102	100.0
310.07425	0.7
310.17435	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	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03442	1.4
59.01378	2.5
64.96337	1.0
69.78416	3.3
71.05028	10.3
86.97761	0.9
95.05016	1.1
97.06602	4.4
107.05018	1.0
113.09724	2.5
115.07654	1.4
121.10251	3.1
123.08109	1.0
125.09743	3.1
137.09723	10.8
141.09256	1.8
153.12840	1.0
165.12842	3.4
167.10826	1.1
167.14388	1.6
171.10278	29.0
172.10614	1.9
181.12370	3.2
183.13976	1.8
185.11790	3.4
193.12241	1.1
195.13910	1.8
207.13919	1.2
211.13429	4.3
219.14005	1.4
221.15443	1.5
223.13464	1.4
235.17030	1.9
240.13661	1.3
247.20709	3.8
251.16493	7.0
265.18079	1.0
273.18677	3.0
291.19693	58.4
292.19965	3.4
309.20734	100.0
310.21002	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.4
59.01377	5.4
69.03461	5.2
69.39137	5.2
69.39545	3.4
74.50094	1.5
80.51832	2.0
94.91270	2.0
111.08176	4.7
119.08687	15.6
121.10260	2.1
125.09745	6.9
127.11313	2.7
135.08157	2.8
137.08755	2.7
137.09744	33.5
149.09708	1.8
152.08440	5.1
152.21284	1.7
153.09204	1.9
155.10770	4.2
162.10521	2.1
167.10780	5.2
171.10283	100.0
172.10654	3.4
174.43846	2.0
181.12425	1.9
183.10284	5.4
185.11858	23.2
195.10242	2.7
197.11845	8.6
201.11342	6.9
209.15479	4.2
211.13318	3.7
213.11348	9.0
229.19646	3.0
273.18570	6.3
291.19708	46.3
292.20139	2.8
309.17172	7.7
309.20703	43.4
310.20926	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
69.84598	2.7
82.63468	1.2
83.05055	1.6
96.60862	1.3
97.06582	1.3
98.21818	1.6
98.95470	1.3
111.08170	36.3
111.08891	2.4
126.20877	1.3
127.07623	1.9
137.09792	1.4
153.12941	1.8
160.03453	1.2
169.12369	7.8
176.39644	1.3
197.11845	100.0
198.12230	4.6
199.13336	2.4
209.15488	5.0
211.13460	9.4
223.17154	2.4
225.15031	3.4
227.12915	3.3
247.20651	1.6
253.69214	1.4
263.20181	6.3
265.18204	2.9
273.18652	2.7
291.19696	22.7
292.19824	2.6
309.17563	1.7
309.20749	42.8
309.64456	1.6
310.21140	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
57.82306	0.8
59.01359	0.7
69.03406	0.6
69.13919	0.7
69.80355	2.3
71.01400	0.8
71.26554	0.6
71.36325	0.7
78.83593	0.7
80.02657	1.3
81.03429	1.2
97.06581	1.2
98.03730	1.0
98.21959	0.9
109.06549	1.3
110.03721	1.0
123.04541	2.7
123.08141	1.1
125.05991	0.7
125.09716	1.2
127.07638	1.4
127.97999	0.8
137.09737	1.4
139.11308	0.8
151.07700	0.8
151.11313	3.5
153.09195	3.0
153.12831	0.9
163.11301	1.3
165.12898	1.7
169.12306	1.0
175.11266	0.7
185.11850	1.2
193.15947	1.4
195.13855	1.3
203.14407	0.8
209.11790	2.5
209.15395	0.9
221.11957	1.6
247.20697	6.6
248.20970	1.0
265.21637	0.9
273.18604	1.2
275.16266	0.7
291.19681	100.0
292.20062	7.7
309.17462	2.6
309.20724	63.1
310.21039	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	309.2075
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01879	1.2
57.03444	3.5
59.01373	3.9
66.01630	0.8
69.03444	0.9
69.18254	1.5
69.18658	3.6
71.05027	26.4
75.55712	0.8
83.05016	1.0
95.05033	1.1
97.06609	7.6
98.21803	0.9
107.05050	1.5
111.08178	3.8
116.10121	0.8
119.08691	2.3
121.10252	5.5
123.08160	2.6
125.09755	6.1
127.11265	1.6
131.90692	0.8
135.08179	2.6
137.09727	25.8
138.10094	1.5
141.12872	1.6
171.10287	64.6
172.10628	2.4
185.11848	10.8
195.13843	1.4
197.11864	5.5
207.13916	2.6
207.17459	0.9
211.13432	1.4
219.13937	2.3
225.14842	1.2
227.13016	1.1
233.15489	3.2
235.17023	2.5
237.14977	4.8
239.16382	1.0
245.18704	0.9
247.20665	2.5
251.16537	23.2
273.18668	2.0
291.19696	69.7
292.20032	4.8
309.20743	100.0
310.21149	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64280	1.7
57.03453	1.5
59.01368	2.2
69.03456	5.4
70.14919	3.4
79.99057	1.6
83.05046	3.4
84.26819	1.4
85.02954	4.6
95.05049	2.2
97.02956	60.6
98.22603	2.2
99.68983	1.4
103.49604	1.8
106.36861	1.4
111.08172	5.4
121.10229	6.2
125.09745	7.3
137.09734	20.2
138.65390	1.7
138.81302	1.7
162.30502	1.5
171.10295	38.6
171.11668	3.2
177.12981	2.2
185.11894	8.2
195.13914	4.3
197.11894	2.5
211.13408	33.0
212.13870	1.9
221.11949	3.4
239.12909	5.2
247.20757	1.6
251.16573	6.7
273.18753	4.0
291.19681	82.1
292.20096	6.0
309.20728	100.0
310.21060	8.8
328.34808	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93196	0.8
58.40332	0.7
61.60447	0.7
69.03468	0.9
70.89861	0.9
79.84769	0.8
85.06531	0.8
85.26969	0.8
97.02954	3.0
98.89793	1.0
123.04514	1.7
123.08153	1.6
137.09686	1.0
149.09831	0.9
151.11296	2.8
152.08470	1.3
171.10312	1.3
176.57397	0.8
177.12881	1.8
183.13519	0.9
185.11864	1.3
195.13896	3.8
200.43294	0.9
221.11845	3.9
221.15648	0.9
223.13524	1.3
239.12906	2.0
247.20699	5.0
281.44315	0.9
291.19681	100.0
292.20047	9.2
309.20734	50.8
310.21057	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34833	1.1
57.03448	3.1
59.01376	2.0
59.76709	1.1
66.40312	1.2
69.03465	1.6
69.32858	1.2
71.04998	1.2
84.88559	1.2
86.61355	1.1
97.02943	2.7
125.09698	2.8
134.68889	1.3
137.09720	1.9
151.04022	2.1
152.08418	8.0
153.12679	1.3
163.11285	6.7
165.09218	2.5
165.12840	7.9
171.10196	3.3
179.14470	2.8
181.12381	4.0
193.16006	2.9
207.10355	1.4
209.15454	7.0
223.13383	3.5
236.36699	1.2
247.20682	9.0
265.18182	2.0
273.18542	3.3
291.19693	100.0
292.20016	9.0
309.17081	14.1
309.20673	86.6
310.21002	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.6
59.01377	1.6
60.49584	1.2
62.52844	1.2
66.70386	1.4
69.03442	1.7
70.46548	1.4
70.46872	2.2
82.79526	1.3
109.06618	1.4
111.08177	32.2
127.07635	2.5
131.03331	1.3
151.11226	1.8
152.08473	1.5
153.12859	2.2
159.32562	1.5
167.10843	2.1
169.12334	6.2
171.10281	2.1
181.12428	3.1
197.11859	100.0
198.12195	5.6
199.13377	4.6
211.13397	10.2
216.49057	1.2
227.12892	2.1
263.20270	7.2
265.18182	1.9
273.18509	2.2
291.19739	21.0
292.20108	2.3
309.17319	1.6
309.20724	38.7
310.21075	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69951	0.5
57.03448	1.1
59.01376	1.4
70.91785	0.6
71.01390	0.6
74.05001	0.5
80.02678	0.8
83.05029	1.1
91.80850	0.4
98.03751	0.7
102.27759	0.5
107.39334	0.5
109.06614	1.0
111.08131	2.6
121.94920	0.4
123.08124	0.6
125.09731	2.0
127.07611	0.5
127.11296	1.9
129.09206	0.7
137.09700	0.5
139.11293	0.7
140.08470	0.6
141.09180	0.7
146.36273	0.6
151.04083	0.5
151.07574	0.4
151.11331	1.1
152.08406	1.3
153.09219	1.6
153.12872	5.2
155.10817	1.8
163.11282	0.6
165.12840	1.2
167.10779	1.3
169.12372	1.6
171.10255	0.8
179.10721	0.7
179.14458	1.7
181.12357	4.2
184.08849	0.5
193.16032	1.3
197.11865	4.2
199.13385	1.3
200.10475	1.2
201.11397	0.9
207.13933	2.3
208.11185	0.6
209.15538	1.0
215.12909	1.3
226.12155	0.7
227.12910	1.4
228.13728	1.0
237.22179	0.9
247.20717	6.2
248.21144	0.6
263.20062	0.5
265.21661	1.1
273.18588	3.0
281.21262	1.0
291.19690	40.3
292.20029	3.3
302.86465	0.4
309.20734	100.0
310.21078	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64499	1.9
56.42664	2.1
59.01379	3.0
67.01897	2.9
71.05016	2.7
80.02679	7.4
81.03449	5.0
83.05035	19.6
84.02174	9.6
89.27719	2.2
95.05041	3.1
96.96029	2.1
97.06583	4.2
98.21825	5.8
99.00874	3.7
99.08181	5.4
109.06594	5.3
111.08212	2.7
115.07692	4.9
123.04531	2.8
125.09756	4.5
127.11312	4.5
137.09723	33.3
139.11259	5.2
141.52260	2.0
151.04044	5.6
151.07687	5.6
151.11322	2.7
152.08429	15.7
153.09210	7.6
155.10791	32.8
165.12881	2.2
169.14760	1.9
171.10275	31.3
178.15884	2.5
193.12332	21.9
197.11896	2.6
209.11948	2.8
209.15511	17.0
211.13481	3.7
236.36372	2.0
247.20703	8.5
252.10030	2.6
263.20001	2.7
265.18469	4.1
265.21735	63.3
266.22067	4.6
291.19678	78.4
292.20026	5.1
309.17102	29.7
309.20718	100.0
310.17758	3.0
310.20999	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	309.2074
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01864	1.0
57.03440	2.3
59.01368	3.1
60.24406	1.0
69.03447	1.6
70.46334	1.2
70.46689	2.2
71.05016	1.3
80.02692	1.7
81.03449	2.5
83.01394	7.1
83.05017	3.5
95.05035	2.0
95.75925	1.1
97.02953	1.8
97.06586	3.8
98.03741	1.9
111.08126	1.5
123.04511	1.5
123.08162	3.2
125.06098	2.3
125.09718	9.8
137.09727	1.2
139.11314	9.6
150.10489	1.0
151.04022	1.0
151.11295	1.2
152.08394	3.9
161.09570	1.2
163.11301	6.1
165.09245	1.5
165.12857	14.7
167.10738	6.1
168.11421	1.3
171.10229	2.1
181.12326	4.2
183.13911	1.7
185.11742	1.1
191.10768	2.9
193.12300	1.8
193.16003	4.9
197.11862	2.1
207.10292	1.3
209.11848	43.5
209.15404	4.5
210.12138	2.5
211.13432	2.5
217.94530	1.0
222.47459	1.0
247.20685	12.8
252.10139	1.1
265.21573	2.8
273.18521	4.9
279.44516	1.1
281.21091	1.8
291.19678	100.0
292.19949	6.4
309.17032	7.1
309.20648	45.4
310.20950	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	309.2076
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
57.03444	1.3
58.20986	1.3
59.01380	1.9
71.05038	1.2
79.95749	2.5
96.96028	27.8
113.97328	1.2
139.11311	3.7
151.04086	1.6
151.07631	3.5
152.08415	8.1
153.12915	2.0
155.10777	2.3
163.11206	1.7
167.10771	1.8
179.14484	1.6
181.12395	1.9
183.10382	2.5
193.15907	1.7
197.11815	2.9
199.13365	1.6
209.15497	8.6
213.11363	2.4
214.12045	1.5
215.12994	1.6
227.13040	1.7
234.02274	1.5
240.13696	2.4
247.20712	3.0
256.36789	1.5
273.18561	1.9
291.19690	32.3
292.20096	2.9
309.17334	41.2
309.20755	100.0
310.17676	3.7
310.21130	7.2
322.11414	1.5
329.90701	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
58.60900	0.7
59.01383	10.2
69.03462	1.3
69.35206	4.0
71.01392	2.4
71.05035	6.6
74.77670	0.9
76.52927	0.8
78.09959	0.7
79.58739	0.7
81.03477	0.7
83.05013	1.4
96.96030	1.2
97.02963	1.6
97.06627	1.1
99.08172	4.4
101.06072	1.2
109.06602	2.6
111.08160	4.5
115.04018	20.8
116.04375	1.0
121.10248	0.8
123.08165	1.2
125.06145	0.9
125.09748	2.1
127.07672	1.3
129.09224	3.3
135.11818	9.6
141.12839	1.0
153.05641	1.0
155.07127	1.8
163.11302	4.9
165.09267	0.8
165.12852	5.2
173.06746	1.7
173.08214	30.9
175.14940	3.3
179.14455	3.1
181.12395	2.3
185.11880	1.0
193.16017	2.4
209.11852	1.5
223.13467	2.6
229.19637	3.5
247.20703	7.3
251.16731	0.9
257.46481	0.8
273.18576	5.5
291.19699	76.9
292.20013	6.1
309.20740	100.0
310.21057	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	311.0412
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
50.11301	0.7
55.01863	0.7
59.01385	22.9
70.66326	1.6
71.01401	4.8
72.99319	10.8
73.02953	5.4
75.00874	8.0
85.02955	2.3
87.00886	23.8
89.02450	6.3
93.03513	1.0
95.75000	0.8
99.00896	4.3
101.02457	4.1
103.00391	5.9
105.01933	1.8
107.05077	1.3
109.02940	0.7
113.02447	1.2
117.01978	0.9
117.03485	1.5
119.05050	13.3
121.02982	1.7
130.99902	3.2
131.03526	2.3
133.02985	1.1
134.03763	5.2
135.04547	63.5
136.04857	2.2
147.03017	3.4
148.04047	2.1
149.00935	100.0
149.04570	21.1
149.06071	2.1
150.01259	2.1
161.02481	1.1
163.04028	21.4
165.04060	2.6
175.02727	0.9
176.03726	0.8
177.05598	4.5
179.03519	54.2
180.03889	2.9
191.05585	1.5
193.05127	2.1
202.36819	0.8
203.02205	1.4
221.04526	1.5
221.06465	0.9
263.62271	0.8
294.06079	0.8
311.07712	2.8
312.12500	1.8
312.16000	0.8
328.57275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0411
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
59.01382	14.2
60.22058	0.7
71.01396	4.2
72.99313	7.4
73.02941	1.5
75.00879	2.2
82.58677	0.8
85.02949	1.1
87.00881	18.6
89.02452	3.5
91.02246	2.4
99.00903	1.4
101.02474	1.9
103.00380	4.2
103.04036	0.8
105.01926	1.6
109.02953	1.2
111.00870	2.3
119.05046	1.4
124.53889	0.8
125.87489	0.8
129.01967	1.8
130.99876	2.1
131.03485	1.0
133.02904	1.1
134.03769	3.6
135.04536	48.9
136.04909	1.1
144.98174	0.9
149.00928	100.0
149.04514	5.3
163.04018	1.0
168.91530	1.0
172.97716	1.3
177.05504	1.5
179.03508	48.9
180.03835	2.7
186.11145	0.7
189.05560	2.1
193.99373	0.8
198.92766	0.7
209.04282	0.7
211.01033	1.8
221.04636	1.0
223.89487	0.7
235.08199	1.3
236.98973	1.4
251.11421	0.8
264.26605	0.8
274.88019	0.8
311.09943	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17431	1.0
59.01383	15.2
64.51326	1.1
71.01389	2.7
72.99328	6.8
73.02959	6.3
75.00875	12.2
83.78974	1.0
87.00881	22.4
89.02470	6.0
89.03976	2.5
99.00909	1.6
101.02454	1.6
103.00383	3.9
105.01968	1.0
109.02969	2.1
111.00881	1.2
117.01961	16.0
117.03442	9.5
119.05024	2.0
130.99835	1.4
133.02957	3.7
134.03757	100.0
135.03008	31.1
135.04517	15.8
147.04512	3.8
149.00932	56.9
149.04773	2.2
149.06094	10.1
150.02065	7.8
150.05524	1.2
160.01663	1.0
161.83488	1.0
163.04001	2.7
174.76888	1.1
175.04118	1.9
176.07167	1.0
177.05663	1.8
178.02687	4.5
179.02242	1.4
179.03545	13.7
191.05687	1.1
191.09579	1.4
193.05075	96.2
194.05394	4.6
196.86792	1.0
206.11867	1.5
221.04590	4.5
225.05618	4.3
253.05093	1.6
296.09143	1.3
297.09998	2.7
297.13733	2.9
311.07965	1.8
311.11584	2.1
312.07349	1.3
312.12704	1.1
312.15985	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0988
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
53.26998	3.6
56.27428	2.9
59.01383	88.4
69.16200	7.7
69.16595	14.4
71.01382	52.9
73.02951	21.5
77.73681	3.4
85.02885	3.7
89.02453	100.0
97.03013	3.7
99.00887	44.3
101.02462	43.3
113.02475	6.1
114.40251	3.2
121.27221	3.3
131.03493	15.6
149.04604	29.8
152.63765	3.4
191.05621	16.3
262.81268	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87253	6.4
59.01387	91.0
69.49320	31.0
70.42298	5.9
71.01394	51.4
73.02953	15.7
89.02459	100.0
99.00899	49.4
101.02476	44.4
120.81565	7.6
131.03496	16.0
149.00964	8.5
149.04613	25.9
173.95518	8.1
191.65326	6.9
286.25623	6.8
329.61136	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0986
Annotation	6-O-beta-D-Xylopyranosyl-D-glucose
Peak:m/z	Relative Intensity
54.72156	8.0
59.01386	100.0
68.78445	9.8
68.91129	9.3
69.27892	45.9
69.28238	15.5
70.93417	7.0
71.01382	49.4
72.07215	7.8
73.02960	7.9
75.53426	7.2
85.02945	8.8
89.02457	85.4
101.02432	55.4
113.02457	11.9
131.03490	14.5
132.72395	8.1
149.04593	22.5
151.08786	15.0
152.09100	13.3
181.38667	8.5
181.44049	9.3
191.05600	17.6
195.09729	12.5
278.35001	8.4
311.10962	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62620	4.4
59.01382	83.7
69.24274	25.0
71.01391	41.4
72.99306	9.0
73.02944	17.9
75.00859	5.1
85.02943	6.0
87.00866	15.7
89.01936	7.5
89.02448	82.5
99.00883	40.1
101.02458	31.3
101.16173	4.2
103.00416	6.3
113.02415	7.0
131.03517	15.6
135.04526	16.9
149.00932	100.0
149.04553	31.0
165.03946	6.8
179.03522	10.7
191.05562	11.8
311.11588	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	82.1
69.49734	43.2
71.01393	66.1
71.48701	12.6
73.02946	19.2
80.38549	11.8
89.02451	100.0
97.94618	11.8
98.22664	18.8
99.00882	53.6
101.02469	58.1
107.05074	14.7
113.02475	12.4
120.93825	10.6
146.17288	11.4
149.04602	25.2
191.05670	21.9
211.77251	11.1
238.56645	11.6
301.80328	13.1
317.98904	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.49345	9.4
71.01389	52.4
73.02954	29.4
85.02955	6.9
89.01940	7.8
89.02458	91.5
99.00885	44.0
101.02451	49.3
113.02468	8.5
131.03503	16.4
149.00960	8.5
149.04575	32.7
191.05627	20.6
203.90608	5.0
309.70654	5.0
311.11777	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2019
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.60471	0.1
61.16221	0.2
66.16280	0.2
66.53953	0.2
98.95605	0.5
98.96455	0.2
119.05067	0.2
130.21410	0.2
133.06592	2.2
149.09727	100.0
150.10059	3.7
162.02306	0.2
183.01213	7.1
184.01964	0.9
186.48653	0.2
203.69724	0.2
216.01126	0.2
236.37003	0.1
239.07391	0.2
267.23676	0.2
311.16867	13.0
311.20203	50.8
312.17160	0.9
312.20465	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	311.223
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.00597	9.4
59.01371	1.9
71.05662	0.5
73.02947	1.5
85.06621	0.4
99.08172	0.7
108.11159	0.4
109.06605	2.2
115.04004	0.8
125.09689	1.3
126.08241	0.5
127.07660	6.0
127.11298	2.4
137.72911	0.5
139.04042	0.6
139.11313	0.6
145.02988	1.6
157.12370	0.6
165.09268	0.5
169.12297	0.7
171.10284	2.5
173.08208	1.5
181.12370	1.5
183.13911	24.1
184.14345	0.6
195.13966	1.8
199.13470	1.2
201.09492	1.0
201.11342	17.1
202.11705	0.8
211.13379	0.7
213.14989	6.6
214.15329	0.7
223.13441	1.8
234.60452	0.5
241.14461	6.3
275.20190	2.6
293.21207	9.2
311.22305	100.0
312.22635	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
70.96851	0.7
71.05043	0.3
71.67617	0.4
75.50191	0.4
86.48604	0.4
109.10941	0.4
111.08180	0.7
125.09735	1.0
127.11312	1.4
129.09227	1.3
142.10074	0.5
153.12891	3.8
155.10829	0.8
155.14488	0.4
167.10851	0.5
169.12398	1.9
176.04965	0.5
181.12383	9.4
183.01236	0.6
197.11865	1.1
199.13422	1.5
228.13609	1.2
249.22179	0.8
265.21744	1.1
267.23123	0.6
293.21252	7.5
295.57959	0.5
309.50433	0.4
311.22308	100.0
312.22592	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
50.34357	2.4
51.37857	1.8
57.49096	2.0
59.01377	9.1
102.47240	2.7
106.17021	2.0
157.08691	7.7
171.10338	3.8
181.68869	2.1
199.49301	2.3
211.13388	3.0
213.15062	3.8
275.20401	2.9
281.60324	2.7
293.21216	55.8
294.21646	3.0
297.86060	2.8
311.16870	4.0
311.22284	100.0
312.22638	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
59.01360	0.5
63.29549	0.4
70.49136	1.0
88.85712	0.4
90.39785	0.4
95.05000	0.4
97.06622	1.2
102.09518	0.4
123.08177	0.7
125.09744	4.2
139.07759	0.6
139.11296	1.6
141.09221	1.9
141.12886	1.4
153.09242	1.2
153.43571	0.5
155.10709	0.7
155.14412	2.1
157.12379	1.0
167.10796	1.3
171.10268	1.8
181.16066	0.5
183.13982	0.5
185.11830	0.6
199.09828	0.6
200.10558	2.6
239.23666	0.6
249.22151	2.2
265.21741	1.1
267.23193	1.2
275.20245	0.9
293.21240	7.2
311.22302	100.0
312.22638	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05289	0.5
57.03414	0.7
70.87431	1.3
71.05008	0.8
76.33859	0.5
82.33551	0.5
100.57799	0.5
120.87390	0.5
125.09704	1.1
139.11336	0.8
153.09187	0.7
154.10013	1.3
171.10330	1.0
177.12854	2.8
188.34822	0.6
195.13863	3.9
196.14586	0.7
211.13405	0.9
227.31717	0.6
249.22250	3.8
293.21246	77.0
294.21594	5.0
311.22302	100.0
312.22672	7.4
315.85291	0.6
333.80975	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01368	1.1
69.03439	0.9
71.48869	0.9
83.05032	1.2
99.08142	3.4
111.08232	1.1
113.09757	2.7
118.09554	0.7
123.58298	0.7
125.09735	1.0
127.07691	0.8
127.11298	1.1
129.09227	7.2
139.11287	3.0
151.11383	0.9
155.10808	2.2
155.80663	0.7
167.10786	1.6
169.12352	2.4
171.10275	11.3
172.10625	1.0
181.12376	4.7
183.10298	0.9
183.13919	2.2
185.11852	2.3
193.12335	1.3
195.74675	0.8
197.11829	8.1
199.13460	3.8
201.11305	2.3
211.13409	16.8
265.21710	1.1
275.20197	2.9
293.21228	13.7
300.55487	0.6
311.22290	100.0
312.22571	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
57.52954	0.2
59.01363	0.6
67.76909	0.2
68.60081	0.2
78.04205	0.2
79.61284	0.2
83.04988	0.3
86.66249	0.3
97.06590	0.5
99.08167	0.6
113.09739	1.0
115.07663	1.3
127.07666	0.5
128.08452	0.7
139.11302	0.4
153.99686	0.2
157.08725	1.2
167.14424	3.4
170.22646	0.2
171.10239	0.4
183.01318	0.4
183.13933	2.5
195.13914	10.1
196.14214	0.6
196.97791	0.2
211.13370	1.4
212.80658	0.3
213.14986	1.2
229.14529	0.3
239.23683	0.3
241.14589	0.2
242.15297	1.0
249.22221	0.6
265.21744	0.9
267.23254	0.7
275.20203	0.8
280.49405	0.2
283.22772	0.5
291.19656	0.3
293.21255	8.4
294.21472	0.4
311.22296	100.0
312.22662	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.01864	0.5
57.03447	0.5
60.79451	0.4
70.09616	1.2
71.05025	4.7
83.05042	0.9
109.45855	0.4
111.08183	0.6
125.09718	1.9
127.11304	1.7
139.11317	1.2
139.55502	0.4
155.14470	1.2
165.12851	1.2
168.59848	0.4
171.10284	5.3
181.15942	0.5
183.13873	1.5
209.11839	3.3
227.12903	0.7
243.16035	1.7
249.22194	1.0
288.46521	0.5
291.19543	2.2
293.21249	3.9
309.20703	0.7
311.22293	100.0
312.22641	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.07841	0.6
50.83220	0.6
54.18265	0.7
58.00331	0.9
58.00597	8.4
59.01390	1.1
70.36243	0.7
71.11884	1.1
73.02959	1.0
80.17645	0.7
109.06579	1.6
119.93384	0.7
125.09757	2.0
127.07686	4.9
127.11299	3.5
134.29962	0.6
137.09738	0.9
155.10786	2.0
159.82594	0.6
165.09167	0.7
171.10298	4.2
181.12373	1.1
183.13907	18.1
195.13858	1.5
199.09715	1.0
201.11324	28.2
202.11655	1.0
213.15044	4.6
214.15382	0.8
221.43019	0.9
223.13461	2.4
241.14433	3.8
253.18230	0.7
275.20187	4.0
293.21198	9.4
307.69473	0.7
311.22296	100.0
312.22574	8.3
323.54126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1246
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
55.81919	0.7
59.01371	3.1
69.08003	3.6
69.08403	1.2
71.01382	3.7
73.02953	1.3
75.42237	0.8
85.02965	1.2
87.00856	0.9
93.03454	7.5
106.04250	7.3
106.06621	6.4
106.74607	0.7
107.05051	9.1
108.02176	1.5
109.02943	2.5
111.00947	0.9
117.02009	0.8
117.03465	1.7
119.05012	2.2
120.26600	0.7
121.02954	3.3
122.03720	2.7
123.04548	1.1
129.03516	1.1
129.06247	0.7
134.03716	2.2
135.03999	1.1
135.04597	0.7
136.04041	1.3
138.03255	1.0
145.02942	1.6
146.03729	6.9
147.04529	54.6
148.04037	3.0
148.05072	1.4
149.00929	1.5
149.04776	3.2
149.05984	0.8
150.03188	1.5
150.05641	4.3
151.04034	3.2
153.05632	1.8
158.06125	0.9
159.04521	2.1
160.04048	4.9
161.02463	4.6
161.04817	5.0
161.06029	1.5
162.05623	1.8
164.03064	0.8
169.06563	3.2
172.57361	0.8
175.06403	1.4
176.07172	35.2
177.07529	1.1
179.03491	9.3
180.03844	1.0
183.08141	2.2
190.08678	1.4
191.09534	32.1
192.09836	1.2
193.06612	1.0
194.05440	1.8
195.04521	1.4
196.05296	1.3
197.04553	2.7
197.06107	21.3
198.06439	1.3
206.11867	32.2
206.13823	1.6
208.06044	1.0
209.06100	1.5
210.06822	1.3
211.04263	1.0
211.07687	21.7
212.07259	0.7
218.17911	0.7
221.06047	3.1
222.07831	1.7
223.07544	2.2
225.05598	38.7
226.05899	2.3
226.08743	2.6
229.32747	1.0
236.07193	2.1
238.06317	4.7
238.08601	1.5
239.03438	1.8
239.07188	32.7
240.07779	6.6
240.10213	1.6
241.10947	1.2
253.07469	2.2
253.10986	1.6
254.05785	1.2
254.08206	9.2
254.10776	1.0
254.11797	1.0
263.05954	1.6
264.06680	4.0
265.07416	2.9
267.05780	1.1
268.06259	1.8
268.09787	3.9
268.13373	2.5
268.16162	0.8
269.10437	1.3
269.14166	4.2
280.09756	1.5
281.06973	3.0
282.07748	31.5
283.08102	2.0
296.09259	4.0
297.10049	100.0
297.13690	58.5
298.10364	5.3
298.14081	4.4
312.12332	42.6
312.16058	66.4
313.12671	3.5
313.16437	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	312.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.4
68.09660	1.0
69.53996	1.0
71.01375	2.8
73.02948	1.1
93.03470	6.6
100.88378	1.0
105.46841	1.0
106.04259	10.4
106.06632	9.7
107.05051	7.2
108.02190	2.1
108.55611	0.9
109.02940	1.0
115.59548	0.9
117.03434	1.5
119.05033	3.1
119.77239	0.9
121.02927	3.6
122.03745	2.3
127.00388	1.1
134.03728	1.9
135.04572	1.5
145.02936	1.8
146.03758	9.6
146.58594	1.0
147.04544	71.4
148.05028	2.2
149.00978	1.3
149.04703	1.6
151.03998	3.1
153.05550	1.4
160.04030	3.1
161.02524	7.6
161.04834	6.8
161.06042	1.9
162.05463	1.2
162.06799	1.3
169.06581	5.5
176.07185	44.5
176.08722	2.2
177.07576	1.6
179.03499	15.5
183.04616	1.0
183.08086	2.9
190.08720	1.2
191.09540	50.0
192.09871	3.0
193.05060	1.7
194.08165	1.2
195.04440	1.2
196.05190	3.0
197.04601	2.6
197.06108	25.8
206.11876	39.8
207.12103	1.2
209.06100	1.4
211.04358	1.3
211.07664	28.0
221.06056	3.6
222.07285	3.4
223.07596	4.0
225.05598	50.9
226.05867	3.6
226.08565	1.4
238.06432	5.0
239.03363	2.3
239.07164	45.9
240.07957	8.6
252.07993	1.3
253.11035	1.2
254.08202	4.2
264.06592	2.4
265.07217	1.3
268.09528	1.2
268.13379	4.1
269.14120	3.9
280.09766	1.5
282.07782	14.8
286.10883	1.1
296.09213	3.6
297.06683	2.3
297.10013	49.7
297.13620	76.6
298.10223	3.0
298.13916	5.3
312.12253	19.2
312.15979	100.0
313.12976	1.8
313.16388	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	313.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97085	1.1
52.96638	1.1
57.41454	1.0
59.01390	2.7
63.11974	0.9
65.00329	1.4
69.39538	5.4
71.01386	27.7
71.51971	1.0
78.01114	1.2
81.86205	1.1
82.57069	1.0
83.01393	1.2
87.00906	1.2
89.00341	3.7
91.01868	1.6
96.96040	2.2
101.02441	1.5
106.00636	4.1
111.00918	1.0
115.00388	11.2
121.02970	54.0
122.03294	2.0
123.00906	3.4
135.20432	0.9
137.40744	0.9
138.03220	5.3
142.67059	0.9
148.17632	1.0
151.01501	1.0
151.04022	2.9
153.05597	42.2
166.99867	1.5
182.02242	5.1
197.04562	100.0
198.04897	4.0
236.97321	1.2
283.02493	1.7
298.04785	1.2
298.10410	1.4
313.13025	2.3
314.13623	1.7
321.21277	1.1
325.13123	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0722
Annotation	Sylpin
Peak:m/z	Relative Intensity
57.04558	1.9
84.91669	2.1
88.04326	2.2
121.02972	100.0
122.03293	3.6
133.52969	2.0
133.73904	2.3
151.04024	3.5
164.98271	3.1
181.06627	3.9
225.05617	7.3
233.06342	2.0
276.72699	2.3
283.02399	6.9
298.04898	2.4
312.22647	2.2
313.07086	14.7
313.20267	2.8
313.23657	3.2
314.07074	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	313.0933
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
59.01396	2.1
68.99831	0.5
69.66821	0.9
69.67207	0.9
71.01393	2.6
73.02948	0.8
75.00862	0.5
81.03503	0.5
84.66865	0.4
85.02969	1.1
87.00877	1.8
89.02439	1.1
92.67318	0.4
93.03490	0.7
101.02456	1.0
105.03492	1.8
107.05047	3.5
108.02210	1.1
109.02972	2.0
113.02463	0.8
121.02972	0.6
122.03766	2.9
123.04545	24.6
124.04880	0.7
134.69327	0.4
149.02437	2.2
150.03242	35.6
151.04022	100.0
152.04385	3.6
153.05438	0.5
155.84018	0.4
161.04645	0.6
179.77658	0.4
193.05150	0.6
230.44617	0.5
258.91919	0.6
313.09332	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	313.1084
Annotation	CHEBI:70655
Peak:m/z	Relative Intensity
50.99604	0.7
60.04627	0.7
62.23276	0.6
63.91420	0.6
69.85314	0.8
69.85663	1.3
71.01409	1.0
77.72453	0.7
95.01414	3.5
101.48609	0.8
106.06631	1.7
108.02167	3.2
109.02969	4.1
111.14572	0.6
120.04510	0.8
121.02925	1.4
122.64126	0.7
123.00923	3.0
125.99374	0.6
131.50404	0.5
133.06613	51.8
134.02490	3.1
134.06929	1.6
136.07678	5.2
137.02470	1.4
138.03246	51.4
139.03598	1.4
141.70393	0.8
149.02451	9.6
153.05591	100.0
154.05934	3.1
156.87836	0.7
177.01973	7.4
191.03540	3.5
192.04309	9.2
207.06651	18.2
207.11627	0.6
208.06985	0.8
223.12283	1.0
224.01289	0.7
224.03235	3.9
251.11940	2.7
269.12976	6.3
283.02527	1.7
298.04779	0.8
299.04330	0.9
313.07248	1.5
313.10870	8.0
313.23767	1.3
314.06735	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1198
Annotation	Gelsedilam
Peak:m/z	Relative Intensity
50.21316	0.3
59.01377	0.8
59.63583	0.4
69.31257	2.1
73.62387	0.3
85.02947	0.4
92.05072	0.8
94.06632	4.7
96.57268	0.3
104.05073	5.8
106.06674	0.6
107.03788	9.6
120.04580	1.3
121.05343	1.2
122.06138	47.3
123.04522	0.9
123.06461	1.1
123.08150	0.4
124.07674	1.0
134.06158	1.5
147.03305	0.5
148.04063	70.8
149.04413	2.3
150.03131	0.5
151.04010	1.8
152.07188	73.2
153.07533	2.3
159.90201	0.4
160.04063	18.5
161.04761	2.4
162.05716	0.7
193.03760	0.5
197.06160	0.6
240.09138	0.4
244.79770	0.4
255.11307	3.2
267.11481	1.0
268.08624	0.7
283.02448	0.5
285.12479	12.4
286.12881	0.6
295.10800	0.5
313.11972	100.0
314.12347	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	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97501	0.8
53.59963	0.7
59.01369	1.1
69.03464	1.3
69.40976	3.6
83.05052	1.5
84.02174	17.3
95.05043	2.4
97.02965	7.2
97.06602	10.9
99.04522	4.2
99.08164	3.6
111.08160	2.1
119.08668	3.6
125.06115	6.9
135.08168	2.3
137.09769	3.2
143.07161	68.5
144.07469	1.7
149.09706	0.8
151.04015	0.8
152.70746	0.7
155.10791	1.2
165.09239	2.1
174.16928	0.8
183.10324	1.7
197.11827	7.8
211.09758	0.8
215.12880	2.7
216.42055	0.7
225.11389	1.5
241.58366	0.7
250.35248	0.6
263.16556	12.6
264.17072	0.9
283.02640	1.0
295.19156	1.0
298.04846	1.3
313.20230	100.0
314.20538	7.8
339.84155	0.7
339.91922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
56.19888	1.5
63.63834	1.3
93.16932	1.1
98.22726	2.0
108.40932	1.2
185.00665	2.4
187.27721	1.3
251.23808	62.9
252.24249	6.4
283.02582	1.8
295.22809	23.7
296.22980	1.7
298.04730	1.9
305.82022	1.3
313.07254	1.8
313.16705	3.1
313.23865	100.0
314.24258	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	314.0667
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
70.87586	0.1
78.03487	0.2
100.65986	0.1
106.02977	0.2
120.00932	0.1
133.01712	11.0
134.02490	100.0
135.00822	0.1
135.02844	2.7
148.00418	12.1
149.00769	0.4
163.02777	0.7
168.04588	0.1
170.03793	0.1
173.02438	0.1
184.04008	1.0
197.02443	0.5
198.03142	0.1
212.03519	2.1
213.01924	1.6
213.03911	0.2
214.02386	0.1
218.85426	0.1
226.02724	0.2
226.04913	0.1
227.03528	0.8
238.05092	0.1
240.03027	4.5
241.01424	1.6
241.03481	0.2
254.04558	0.3
255.02975	0.4
255.05397	0.9
256.03915	1.8
270.07861	0.5
271.06229	0.7
284.02008	2.4
285.02277	0.1
298.03238	0.1
299.04364	18.4
300.04715	1.2
314.06711	32.2
315.03610	0.1
315.07080	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	314.0675
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
65.99854	0.2
69.73259	0.3
79.37885	0.1
92.90255	0.1
105.02224	0.4
133.01707	100.0
134.02043	3.2
145.02968	0.4
148.04054	9.4
149.01218	0.2
149.04385	0.4
153.67345	0.1
184.03960	0.6
185.02477	0.3
197.02458	0.3
200.03299	0.1
211.02745	0.2
212.03525	3.5
213.01945	7.8
214.02281	0.4
227.03519	0.5
228.04384	0.2
239.02386	0.2
240.03027	17.4
241.01427	3.3
241.03473	0.8
242.01900	0.2
255.03001	0.2
255.05363	0.8
256.03992	1.2
270.08005	0.1
271.04776	0.3
284.02023	31.6
285.02350	1.8
295.22113	0.2
299.04361	93.1
300.04691	6.2
313.23822	0.7
314.06720	21.6
314.23486	0.2
315.07065	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	314.0675
Annotation	CHEBI:90701
Peak:m/z	Relative Intensity
50.12682	2.1
61.42097	2.2
65.99857	86.8
115.12749	2.3
136.37770	2.3
139.04276	4.2
143.42848	2.3
155.03815	19.9
161.35632	2.4
167.03793	17.1
168.04500	3.9
170.02481	17.1
170.06183	3.1
171.03188	6.1
183.03218	15.5
195.03250	19.9
196.04059	6.3
211.02765	3.1
212.03575	8.8
223.02785	54.8
224.03319	3.3
238.05142	3.5
239.02382	2.8
240.03093	29.7
254.04652	18.9
255.05380	20.0
267.01773	31.2
282.04114	100.0
283.04416	3.5
299.04642	3.1
314.06680	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	314.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15888	0.2
59.01381	1.9
66.71711	0.2
69.03468	0.5
69.31856	1.0
69.32227	0.4
71.01379	1.0
73.29748	0.2
73.35035	0.2
81.03463	1.0
85.02953	0.5
89.02435	0.5
97.02965	0.4
101.02464	0.5
107.01388	0.4
108.02190	6.7
109.02963	28.9
110.03315	0.3
113.02421	0.5
114.05599	0.7
119.03521	0.3
123.04552	2.4
124.04049	1.2
125.02461	0.4
133.01715	0.9
134.02492	9.2
135.00883	0.9
135.04457	1.0
150.03137	0.3
151.02762	10.9
151.03925	1.2
152.03542	100.0
153.01959	9.0
153.03815	2.4
153.05586	3.1
156.06685	0.2
161.93867	0.2
176.03520	0.6
194.04539	0.2
217.00320	0.3
220.61153	0.2
237.05518	0.4
238.06346	0.3
253.08698	0.4
266.08200	0.5
269.08197	0.3
281.10742	0.5
292.48358	0.2
296.12930	0.8
314.08841	4.6
314.12732	0.3
314.13947	0.3
315.07214	1.5
315.10849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43313	0.2
52.05570	0.2
59.01372	0.3
69.35037	1.0
74.94693	0.3
84.34389	0.2
100.63656	0.3
124.28270	0.3
139.36522	0.3
149.95673	0.3
169.06612	17.6
170.06921	0.9
187.48087	0.3
197.06100	100.0
198.06425	4.7
255.12672	76.1
256.13010	5.3
270.15015	34.3
271.15384	3.0
293.36871	0.3
300.36722	0.3
314.14078	1.4
315.14154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01381	4.0
60.65061	0.4
65.03970	6.7
67.01891	2.6
71.01385	3.8
71.16344	0.4
73.02930	0.5
83.01390	0.8
85.02962	1.3
87.00865	0.5
89.02453	1.9
91.22153	0.4
95.01411	0.8
101.02446	2.3
109.02960	100.0
110.03315	2.6
110.85309	0.4
113.02454	1.5
113.22795	0.4
119.03515	0.6
123.00893	1.2
123.04518	1.4
125.02459	1.1
135.00894	4.9
135.04539	3.2
149.06175	0.4
151.00401	3.2
151.03923	0.6
151.28712	0.3
151.65865	0.4
153.01952	65.9
153.05515	1.5
154.02254	2.1
161.04590	1.0
166.99873	1.1
169.01390	2.0
170.50067	0.4
179.05650	0.4
182.02187	1.9
183.03064	0.6
221.50519	0.3
221.61829	0.4
255.05186	1.0
255.12616	0.6
256.13055	1.3
281.11166	0.6
314.59570	0.4
315.07297	25.4
315.10889	3.7
316.07687	1.4
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
53.46669	1.1
56.85945	1.4
59.01389	6.6
65.03960	5.0
67.01894	2.9
69.03490	1.6
71.01388	5.4
72.99323	2.1
73.02959	1.6
74.97469	1.1
78.95879	1.4
85.02970	2.6
87.00880	1.6
88.98824	1.9
89.02460	2.8
92.00851	1.0
95.01391	4.3
101.02437	3.4
103.92019	3.6
105.01957	1.0
108.02185	12.0
109.02962	100.0
110.03284	2.4
111.00892	6.2
111.20454	1.3
113.02485	1.9
116.55566	1.2
119.03516	1.2
122.89472	5.8
123.00903	18.3
123.04540	10.2
124.01630	1.5
125.02466	1.4
125.87340	9.5
132.98225	2.0
133.01474	1.0
135.00897	3.1
135.04535	16.8
135.54291	1.0
138.03256	4.2
139.04021	2.0
142.87637	5.2
143.03577	1.5
151.00340	2.3
151.04005	1.7
152.01166	7.2
153.01955	86.3
153.05559	17.3
153.06720	1.8
154.02283	2.4
157.86298	2.5
166.99864	23.9
176.90512	1.3
178.88390	8.2
182.02235	26.0
182.03741	2.2
183.02957	10.1
183.87865	1.5
184.97742	4.9
196.99448	1.5
210.95697	3.0
211.00980	2.3
214.86156	1.3
240.96712	1.4
243.13522	1.1
279.90787	4.4
300.08420	1.2
315.07251	48.8
315.10709	3.2
315.20251	1.3
315.88428	3.5
316.07648	3.4
316.11032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80916	2.1
59.01387	31.2
62.78484	2.3
63.42986	3.0
71.01398	14.3
82.24081	2.3
85.02953	4.6
88.04044	5.3
89.02469	11.7
101.02437	6.8
107.05032	3.9
108.02176	4.0
108.04628	2.3
109.02973	37.7
111.00896	3.5
113.02462	7.1
114.98702	2.6
119.03512	6.8
123.04533	10.1
124.04043	2.8
124.04890	3.0
131.07628	2.3
134.03725	3.8
135.04543	100.0
136.04048	7.9
136.91441	2.6
143.11937	2.2
152.07147	5.6
153.01982	28.4
153.05571	27.6
153.07477	5.7
154.05109	5.7
158.99611	3.0
182.02113	2.5
196.06023	3.5
213.67836	2.6
217.00267	3.0
228.96631	2.6
272.96121	3.6
314.96881	5.2
315.07709	10.7
315.16708	2.9
315.20215	5.0
316.10275	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	315.1088
Annotation	Cornoside
Peak:m/z	Relative Intensity
55.01879	1.4
57.03444	1.7
58.00586	0.8
58.73651	0.6
59.01382	100.0
60.01715	1.0
67.50269	0.6
70.06345	0.9
70.06691	1.5
71.01388	41.0
72.01723	0.9
72.99311	1.3
73.02981	1.9
74.04832	0.9
75.00860	0.8
83.01398	2.3
85.02960	10.1
87.00896	1.0
89.02450	47.1
94.51499	0.8
95.01381	4.5
101.02453	27.0
107.01372	0.7
107.05042	2.4
108.02184	6.0
109.02969	20.6
110.03341	0.8
111.00896	0.9
113.02453	15.3
119.03508	21.9
123.04538	16.9
125.02465	2.1
131.03532	1.1
134.03661	0.8
135.02942	3.3
135.04535	88.1
136.04875	2.9
143.03519	2.1
149.04573	1.0
151.00349	3.1
151.04004	1.2
152.01144	4.0
152.03427	0.9
153.01958	20.3
153.05582	23.9
161.04478	0.8
167.03568	0.7
169.01428	3.0
179.03517	0.9
179.05609	3.2
195.02919	0.7
197.04475	1.6
221.93237	0.8
300.09882	0.7
315.07184	13.5
315.10806	80.7
316.07739	1.1
316.11108	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	Cornoside
Peak:m/z	Relative Intensity
59.01384	100.0
63.16157	1.0
64.85971	0.9
67.11005	1.1
71.00087	1.3
71.01390	12.6
73.02947	3.2
74.99073	1.3
83.01423	1.6
85.02960	5.1
89.02462	2.9
93.03461	14.1
98.02504	1.3
101.01838	1.6
101.02436	9.8
109.02980	2.6
112.04094	1.9
113.02448	6.1
114.05650	2.7
115.05939	1.6
118.98135	1.4
130.08728	3.7
135.04536	4.5
139.05168	2.2
143.11909	2.4
152.04361	1.3
152.78419	1.4
153.00757	1.8
153.01965	3.4
153.05592	1.8
154.08781	1.6
159.02948	1.6
161.04561	14.0
166.01535	1.5
181.01273	1.0
209.12843	1.6
218.11862	1.1
228.10341	4.4
253.11964	2.6
256.09677	1.4
259.90500	1.3
269.11432	2.3
286.69354	1.2
315.07327	1.4
315.11179	5.1
316.11603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.1
59.01386	100.0
60.01710	1.4
61.82512	0.7
68.65266	0.8
69.61583	2.8
71.01388	38.3
72.99310	1.2
73.02929	1.7
75.48744	0.7
83.01400	3.2
85.02956	9.7
87.00892	1.3
89.02453	40.4
95.01395	3.1
101.02454	22.5
103.95614	0.8
106.90936	0.9
109.02950	3.4
113.02458	13.6
119.03516	17.3
123.04552	8.4
130.83781	0.9
135.04543	62.0
135.45963	0.8
136.04893	2.2
143.03452	1.2
149.04602	1.5
150.03230	1.1
151.04080	1.1
153.01979	1.3
153.05611	7.1
179.05647	2.1
315.10886	62.1
316.10989	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59464	0.3
59.01382	7.9
62.27413	0.3
69.68370	0.7
71.01391	3.5
80.18365	0.4
81.03516	0.4
85.02959	0.8
89.02454	3.3
95.01398	0.4
95.05019	0.6
101.02453	2.3
108.83432	0.3
109.02966	2.1
113.02470	1.0
119.03525	1.1
122.03785	0.6
123.04536	67.4
124.04849	1.9
135.04539	7.3
153.01981	1.7
153.05588	100.0
154.05931	3.8
315.07352	0.8
315.10858	8.4
316.11075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01384	2.7
65.99849	0.6
69.03463	3.5
69.59142	1.1
71.01372	1.2
71.05049	2.1
71.53449	0.4
72.91965	0.4
74.42589	0.4
83.05036	0.5
89.02451	1.3
89.97856	0.4
91.04063	2.1
91.04525	0.4
95.41385	0.5
97.06614	0.4
98.22590	0.9
102.78524	0.4
115.42316	0.4
121.06599	0.6
123.08196	1.1
125.09741	1.6
134.02449	1.5
135.02831	1.1
146.02365	0.5
149.09775	0.7
151.11314	2.3
153.12868	2.3
160.04018	1.5
161.09747	4.2
179.10800	13.5
180.11143	0.7
184.04056	3.4
185.02507	0.8
188.03555	1.0
197.11848	100.0
198.12166	4.6
212.03522	3.2
213.01988	1.3
216.02995	1.3
223.09767	1.5
228.03139	0.7
240.02995	1.1
241.01332	0.5
241.10840	16.6
242.11195	0.6
249.95163	0.4
271.10834	0.8
284.02051	4.5
315.07047	1.5
315.14505	37.9
316.04727	3.2
316.14917	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	315.1967
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
58.73449	0.6
65.55463	0.6
68.23794	0.6
71.14801	0.6
83.05031	1.1
118.02988	2.0
129.16637	0.8
135.08156	1.1
163.07677	2.5
164.08418	1.1
201.09219	1.6
217.07204	3.3
239.14529	1.0
243.10333	1.2
244.11044	2.3
254.16779	8.0
257.15295	0.7
267.13992	1.3
267.23279	1.0
269.19113	9.2
269.24939	2.2
282.16223	4.2
284.05606	1.3
285.18802	1.4
287.20203	9.6
288.20251	1.2
294.52753	0.7
297.18573	1.3
297.24469	0.7
299.16525	0.6
300.17340	1.1
315.19681	100.0
315.25031	10.3
316.20081	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	315.1967
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
90.25675	0.2
98.22636	0.6
113.09550	0.1
120.65099	0.1
172.87936	0.2
176.89320	0.2
201.01395	0.1
217.08714	0.2
229.08710	2.5
230.09428	0.2
231.10117	0.3
243.10159	1.0
244.11041	3.4
244.13391	0.3
245.11456	0.3
257.11911	0.8
284.05826	0.2
285.15036	1.3
295.77332	0.2
299.16461	1.3
300.17212	1.4
315.19662	100.0
316.20020	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0465
Annotation	Plakortamine A
Peak:m/z	Relative Intensity
55.30851	0.6
57.92007	0.8
59.01366	0.8
65.00335	0.9
65.99850	2.1
92.99860	0.9
98.22679	2.0
107.05038	9.1
118.03019	2.5
121.02975	1.5
133.02995	1.9
134.02487	4.9
136.00421	1.6
140.05093	1.1
141.03528	0.8
142.02924	0.9
144.04517	3.7
147.04515	0.9
156.04555	1.1
157.02979	1.3
160.03999	1.0
162.01991	1.2
168.04561	13.2
169.02878	0.9
169.04941	0.8
172.04092	1.6
174.01997	1.1
183.03177	0.7
184.04048	4.7
185.02451	3.0
186.02046	1.3
188.03539	3.4
189.01942	0.9
200.03523	1.9
201.63347	0.7
211.02827	2.4
212.03534	100.0
213.01939	3.6
213.03925	5.1
216.03041	2.8
225.04204	1.0
228.03027	14.5
229.01382	1.2
240.03044	8.7
241.01335	2.0
256.02536	13.4
256.05170	0.8
257.02927	1.0
258.04190	1.0
269.03372	1.9
284.02048	33.4
284.05399	2.6
285.02292	2.2
302.03049	24.9
302.06497	1.3
303.03363	2.2
315.21667	1.0
316.04633	62.8
316.10983	2.8
317.04987	2.9
317.20929	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00692	1.6
59.01381	5.3
60.01683	1.9
65.99854	2.1
67.79713	1.3
71.18513	1.3
74.02499	1.5
85.02965	1.6
87.91524	1.4
89.02448	2.1
111.00897	28.5
121.10345	1.5
124.74342	1.4
133.01605	1.6
148.00436	6.7
152.03603	1.7
159.03288	4.6
163.99983	2.2
165.00699	5.5
172.04005	2.8
174.05617	2.7
180.03035	45.6
183.10425	1.5
184.04050	8.0
184.75993	1.6
185.02473	12.5
186.01988	2.9
198.01959	5.9
200.03624	10.8
211.02802	9.0
212.03503	11.9
213.01976	7.0
213.04315	12.1
215.02269	2.3
226.01466	2.1
227.01910	1.6
228.03043	90.1
229.01468	2.6
229.03296	7.9
239.02255	28.2
240.02921	5.9
241.01407	5.9
244.06122	3.7
254.00957	19.1
254.04605	26.9
255.05026	3.0
256.02536	60.3
257.03055	6.5
272.05774	10.2
274.03552	2.6
284.02020	100.0
285.02435	7.3
289.81931	1.7
298.03601	1.8
316.04633	47.1
316.21234	2.2
317.04996	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	316.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	1.7
65.99850	7.3
71.14443	0.7
98.22681	1.4
111.00877	2.3
115.74754	0.6
117.03455	1.8
118.02988	2.0
120.00878	0.8
134.02512	1.5
136.00441	4.3
138.03461	0.7
140.05016	0.7
141.03447	1.8
142.02960	1.2
144.04604	0.8
145.02956	7.7
146.02480	1.7
155.03807	0.7
156.04555	1.5
157.03030	0.7
160.04039	13.5
161.02463	1.7
162.01985	1.5
163.99928	6.5
166.03000	1.0
168.04596	3.5
169.02980	4.3
170.74818	0.6
172.04047	8.6
180.03026	1.5
181.83485	0.6
182.02460	1.5
183.03239	1.2
184.04045	19.3
185.02443	15.5
186.01877	4.0
188.03532	12.2
196.02592	1.1
196.04103	1.4
197.02438	0.9
200.03552	2.7
210.01985	1.0
211.02800	3.2
212.03532	33.0
213.01961	20.1
213.03938	1.8
214.01437	8.1
215.02159	3.7
216.03044	8.0
228.03036	9.6
228.83961	0.7
238.01472	12.8
239.02028	1.8
240.03032	5.6
241.01534	4.8
241.03642	0.9
254.01331	0.7
256.02493	15.7
257.02856	1.2
266.00940	7.0
267.01749	10.3
269.03214	1.2
274.03360	0.9
284.02032	100.0
285.02286	6.4
302.03104	2.6
316.04636	36.3
316.21304	1.0
317.05109	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	316.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00305	2.0
65.99848	10.6
68.99816	2.2
71.27593	0.7
74.02472	1.9
92.01410	0.8
99.00873	2.0
117.03466	10.8
118.03000	0.9
118.05585	0.8
129.03499	1.6
133.01656	0.9
134.02473	3.6
136.98824	1.7
141.03453	4.7
142.02994	1.0
145.02977	9.5
146.02490	5.1
147.04532	1.4
155.03777	1.1
156.04535	1.5
157.02945	3.4
160.04057	32.0
161.02419	2.2
162.01974	7.1
163.99890	1.3
169.02950	2.9
170.02449	3.9
172.04083	7.5
173.02477	1.0
180.03088	1.1
183.03232	3.3
184.04048	61.7
185.02440	8.7
185.04375	3.6
186.01942	6.4
188.03539	20.7
189.03821	0.9
197.11870	3.3
198.12192	3.6
200.03491	2.0
206.04607	1.8
211.02757	3.7
212.03540	65.6
213.01984	26.9
213.03891	3.5
213.73470	0.9
214.01564	1.5
216.03035	27.0
217.03357	1.3
228.03014	21.9
229.01361	1.4
229.03459	1.7
230.04610	3.3
230.11719	0.9
238.01506	1.0
239.02142	1.4
240.03050	20.6
241.01273	1.1
241.03380	1.4
256.02509	13.4
257.03220	1.4
258.04129	3.3
270.04031	2.5
284.02026	100.0
285.02362	6.6
298.03522	6.8
302.03073	4.7
316.04611	55.1
316.14822	2.9
316.21323	1.2
317.04956	4.4
317.15936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58133	0.3
55.28242	0.3
61.50486	0.4
65.99836	1.0
98.21895	0.9
117.03480	0.8
118.03011	1.4
126.38808	0.4
128.05016	0.5
140.05037	0.4
141.03493	1.5
142.03018	0.6
144.04558	0.8
146.78770	0.3
147.04512	1.1
155.03773	0.7
156.04582	3.8
157.01782	0.6
157.02963	6.5
161.02472	0.6
163.99928	1.0
168.04533	0.6
170.02621	0.3
172.04047	1.3
183.03259	1.0
184.04057	30.9
185.02452	9.1
185.04333	1.7
186.02077	0.7
199.02679	0.4
200.03543	8.7
201.03819	0.4
210.01974	1.2
211.02736	0.4
212.03546	13.2
212.05574	0.8
213.01962	16.6
213.03711	0.7
214.02345	0.8
226.01506	0.5
227.02182	1.4
228.03038	19.2
229.01367	0.6
229.03398	1.0
231.02974	2.2
240.03040	2.4
241.01437	2.4
254.00980	1.1
255.01776	1.0
256.02530	22.5
257.02872	1.3
258.04199	0.5
283.01270	0.8
284.02039	100.0
285.02350	6.3
302.03232	0.5
316.04654	15.6
316.21109	0.4
317.05072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62003	0.7
58.42703	0.6
78.03502	1.9
91.01891	2.3
94.02911	0.8
105.02201	2.3
106.02995	13.0
107.03775	2.4
107.05003	1.0
108.02248	0.8
108.04562	1.5
118.03033	0.8
120.04558	1.8
122.02477	1.2
133.01704	57.9
134.02466	3.0
135.00883	1.2
136.04036	2.7
136.65808	0.7
148.04057	88.4
149.04405	2.6
150.01985	17.5
151.02754	3.3
162.60243	0.7
164.03519	0.9
165.04321	33.5
166.05115	8.5
170.65128	0.7
180.03033	0.9
188.60370	0.6
197.04744	1.0
198.03282	0.7
212.03619	2.2
213.04242	0.9
225.04280	3.9
226.02646	2.4
240.03023	1.0
240.06749	1.4
241.01366	0.7
241.03798	1.8
269.03296	31.6
270.03653	2.1
284.05652	100.0
285.05936	7.0
301.05936	6.8
302.06277	1.2
316.04623	3.0
316.08203	20.2
317.08643	1.6
336.20142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74888	0.4
58.96564	0.4
68.98778	0.4
70.47903	0.8
99.67680	0.4
113.04689	0.4
118.03003	100.0
119.03350	3.1
122.02505	4.9
123.03275	2.0
137.04834	0.9
149.01192	1.2
151.02744	4.3
166.01477	5.1
180.03046	1.5
181.03831	11.0
182.04082	0.5
187.00775	0.5
196.06123	2.6
198.03271	1.1
224.52116	0.4
225.04276	3.0
226.02771	1.9
240.06653	0.4
241.03877	0.6
269.03275	4.3
270.04068	0.9
284.05676	48.9
285.06027	3.4
301.05991	0.6
316.08258	10.8
317.08606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82863	0.4
65.99800	0.7
66.03436	0.7
71.05962	0.4
78.03411	0.4
94.02890	1.2
107.01371	0.6
107.04901	0.4
118.03008	20.4
119.03277	0.8
122.02499	12.0
123.00803	1.6
132.04570	8.2
133.39505	0.4
145.06500	0.4
150.01984	23.5
151.02388	0.5
166.01476	0.9
181.03835	3.1
182.04597	5.7
184.07559	1.8
188.13560	0.4
194.06110	3.3
196.07574	0.5
211.06369	0.5
212.07155	1.9
221.04709	0.4
222.05551	1.0
223.06218	1.1
225.04327	1.6
239.05882	1.9
240.06682	36.3
241.04900	0.7
241.06984	1.7
256.03699	0.4
264.38528	0.5
269.03357	1.2
275.08456	0.4
284.05673	100.0
285.05972	7.5
301.05475	0.6
316.08255	15.9
317.08655	1.4
317.21262	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	316.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72092	0.5
65.99850	2.3
69.03455	0.6
70.97308	0.7
74.34885	0.5
82.02997	0.7
82.06591	0.6
94.03005	1.4
97.02985	0.4
118.02999	100.0
119.03346	3.0
120.00925	0.9
121.01759	1.3
122.02516	2.7
133.01729	1.8
134.01990	0.5
135.00908	1.1
148.00433	5.3
149.01195	14.3
149.04358	0.5
150.01923	1.4
150.09283	0.6
151.02815	1.1
151.63963	0.5
152.03537	1.4
163.46426	0.5
165.00653	3.1
166.01442	1.0
180.03030	9.8
181.03822	5.6
182.04546	0.7
184.03995	0.8
185.02437	0.5
192.13963	2.9
197.04689	0.7
198.03264	1.6
200.03592	0.9
201.01991	0.8
208.04103	0.7
212.03561	3.5
213.01955	1.6
216.04021	0.6
224.03574	1.6
225.04324	12.9
226.02725	4.5
226.04623	0.8
229.01451	2.2
229.03514	0.6
240.03049	2.7
240.06660	4.9
241.03763	5.5
252.82574	0.6
256.02661	1.0
257.03296	0.8
269.03296	17.9
270.03717	1.4
284.02051	11.0
284.05658	29.4
285.02695	2.9
285.06052	1.4
301.05890	2.0
316.04593	5.1
316.08282	13.2
317.05402	1.4
317.08713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0829
Annotation	Buxifoliadine-H
Peak:m/z	Relative Intensity
52.20951	0.7
54.83792	0.6
65.99833	2.6
66.07691	0.8
69.03432	1.4
72.03632	0.6
73.76134	0.6
77.53348	0.6
92.01400	1.6
93.03439	1.0
94.00587	0.8
95.01326	0.6
97.02933	1.2
106.06558	1.6
116.27892	0.7
118.03006	27.1
119.03385	0.7
120.00916	11.9
121.01682	1.0
122.02496	4.8
123.00873	3.1
131.41663	0.7
147.48022	0.7
148.00418	4.5
149.01207	8.8
150.01909	1.5
152.03513	1.3
166.01439	1.1
167.05899	1.1
168.04536	0.8
170.03801	0.9
170.06082	1.1
171.04546	4.9
172.04071	1.5
174.05534	0.9
180.02945	1.4
181.03853	4.7
184.04044	6.3
185.02464	2.5
185.04790	1.9
186.05600	5.0
196.03989	2.6
197.02525	3.3
197.04793	2.5
198.03242	6.2
198.05054	0.8
198.05418	0.7
199.02657	1.1
199.04178	1.0
200.03444	1.0
208.02504	1.3
212.03540	18.7
213.01930	4.3
213.04272	6.6
214.05116	11.5
224.03589	3.1
225.02209	1.1
225.04340	4.5
226.02756	7.1
226.04837	1.3
240.03024	3.4
240.06712	1.2
241.03824	53.4
242.04597	56.1
243.04922	2.6
252.02972	1.0
256.06140	1.0
257.06784	1.1
267.99582	1.5
268.02533	37.8
269.03308	100.0
270.03967	12.2
284.05676	72.0
284.08981	1.3
285.05930	5.0
286.03641	7.5
300.05179	43.2
301.05930	43.8
302.06299	3.2
316.08286	91.7
317.08527	6.7
317.11649	0.7
326.33206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64128	0.5
54.49763	0.5
59.90785	0.4
69.03455	2.4
69.40350	2.0
71.04697	0.4
78.03510	1.5
79.01889	2.4
97.02955	1.3
106.02999	12.9
107.01424	3.9
120.04602	0.7
125.02484	2.3
133.01711	79.8
134.02130	2.0
135.00903	5.7
148.02908	1.0
148.04059	15.7
149.04362	0.6
150.01987	20.5
151.02705	1.4
164.03566	1.2
165.04330	30.0
166.05083	4.8
176.03564	2.9
197.02528	0.5
197.04820	2.3
198.03294	0.5
225.04305	9.7
226.02736	1.9
269.03314	100.0
270.03696	7.4
283.04971	1.9
284.05679	85.7
285.06006	6.1
298.07166	1.1
301.05954	22.6
302.06277	1.6
314.24094	0.4
316.08301	14.2
317.08563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
64.26936	0.4
65.04897	0.3
65.52261	0.3
65.99857	1.9
75.02742	0.3
85.02966	0.3
90.03548	0.3
90.04514	0.4
93.03501	0.4
94.03002	1.0
95.01394	0.5
115.72983	0.3
118.03000	100.0
119.03326	2.3
120.00925	1.3
121.01738	1.7
122.02512	0.8
124.04037	0.5
125.02450	0.6
135.00888	0.4
137.75667	0.4
141.38702	0.3
148.00433	6.0
149.01190	12.2
150.01854	0.6
152.03548	2.8
164.03355	0.4
165.00725	5.5
166.71579	0.4
180.03030	7.9
181.03796	2.5
184.03998	0.9
184.60652	0.4
196.04083	0.8
197.04816	0.5
198.03267	2.0
212.03526	1.7
213.01913	1.1
213.05690	0.6
224.03528	0.9
225.04320	15.5
226.02708	4.7
226.04764	1.0
229.01488	1.0
240.02989	1.2
240.06664	5.3
241.03764	1.7
256.02554	0.6
269.03302	16.2
270.03555	1.1
284.02084	7.9
284.05655	31.6
285.02817	0.8
285.06039	2.0
301.05966	2.4
316.04614	2.9
316.08286	11.9
317.08478	0.9
317.19705	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19066	0.2
59.01381	4.0
65.03984	0.3
69.70448	0.8
71.01392	1.9
74.02483	0.2
80.13477	0.2
83.01367	1.1
85.02963	0.5
89.02449	1.3
94.02994	9.3
95.05071	0.2
98.22591	0.3
99.00936	0.2
101.02480	0.8
109.02989	1.1
110.02554	0.4
110.03326	0.6
111.02008	0.3
112.04047	0.2
113.02463	0.7
118.03011	0.7
119.03504	0.3
124.04063	0.6
124.48003	0.2
131.03545	0.2
135.04514	0.3
136.04059	100.0
136.78442	0.2
137.04408	3.1
140.01175	0.8
144.13010	0.2
146.55223	0.2
152.03500	0.2
153.01955	0.7
154.02287	1.0
154.05048	1.0
155.03523	0.9
255.10266	0.5
286.09464	0.4
316.07498	0.5
316.10843	1.1
316.15356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1111
Annotation	Skf-83959
Peak:m/z	Relative Intensity
54.32675	0.6
57.84652	0.6
65.03952	2.1
68.26272	0.7
69.41136	0.6
71.11630	0.6
79.05503	1.0
86.45793	0.6
93.03470	3.3
107.05038	100.0
108.05377	2.8
112.73129	0.8
116.27872	0.8
121.02937	1.0
133.01709	1.2
148.04195	0.7
161.09836	0.8
164.32329	0.7
269.03351	1.5
270.03317	0.7
276.18744	0.8
284.05606	2.3
316.11108	25.3
316.19971	2.0
317.11496	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49363	0.8
58.00597	2.7
59.01385	100.0
60.01710	1.3
69.47059	0.7
69.47388	3.7
71.01389	58.4
72.01740	1.1
85.02961	7.1
89.02452	88.7
90.02791	0.8
101.02465	4.9
113.02464	8.4
119.03527	3.6
124.87982	0.6
131.03503	10.2
131.04337	1.0
133.03011	0.9
146.45114	0.8
149.04575	13.8
164.60492	0.9
167.10818	8.2
170.70097	0.8
183.63118	0.8
197.30371	0.7
213.58630	0.8
220.03786	1.0
258.03729	1.8
270.05411	2.6
285.07925	1.1
302.02640	6.0
317.05008	7.0
317.16238	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
57.07454	0.8
59.01376	6.3
63.61898	0.9
69.03465	1.0
69.63221	3.6
71.01398	1.8
71.05022	5.7
83.05048	2.9
91.04027	1.7
95.05053	1.6
97.02966	5.6
97.06610	3.8
99.00885	31.6
99.02975	0.8
108.04573	1.6
109.06615	1.2
110.03756	2.7
123.08194	2.4
125.09743	12.1
127.11312	2.3
127.55544	1.0
134.06197	1.0
135.08173	1.0
153.12927	1.8
155.14473	1.8
158.59258	1.0
163.11287	16.8
179.10751	1.0
181.12355	47.0
182.12764	1.6
187.07739	1.1
197.11867	1.9
199.13408	37.6
207.10281	48.0
208.10651	2.9
225.11327	88.3
226.11732	5.3
243.12381	100.0
244.12692	4.7
255.11385	1.1
273.12503	3.0
309.43674	0.8
313.99292	0.9
317.11935	2.2
317.16101	66.0
317.19690	7.2
318.16394	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	318.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80229	3.7
54.18545	3.7
57.23239	3.7
59.41002	3.4
64.90767	3.7
65.99841	13.4
70.95915	4.0
94.02998	17.4
110.75738	4.2
118.03022	24.4
120.00909	6.9
122.02464	17.5
123.00874	3.5
135.21802	3.6
136.04047	7.5
137.02582	4.1
138.01999	8.7
145.02963	4.0
148.00421	54.4
152.03535	25.2
154.05055	5.9
165.00688	60.1
166.01410	13.5
170.06113	18.8
171.04520	6.9
180.03035	100.0
181.03378	4.5
181.52333	5.0
196.04028	7.5
198.04059	6.6
198.05612	34.7
199.04012	8.5
214.05070	9.3
242.04582	31.6
243.02995	11.7
268.02502	26.8
286.03571	72.5
287.04129	5.2
293.72568	3.9
300.05203	60.2
301.05460	5.2
319.15344	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	318.062
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68186	0.4
89.16674	0.4
91.40457	0.4
93.03456	0.7
107.01401	8.7
115.28350	0.4
118.03004	1.8
120.00932	2.6
121.02959	5.6
122.02450	0.5
123.00891	0.9
125.41630	0.5
133.01726	4.3
134.02495	89.2
135.02866	2.9
147.04565	0.6
150.01978	1.3
160.01689	0.6
170.06030	0.5
171.04671	0.7
180.02989	0.7
182.03372	0.5
185.34003	0.4
186.05659	1.8
196.04057	2.2
197.04837	1.3
197.30414	0.5
198.05632	1.5
199.04143	0.8
212.03499	0.6
213.04066	0.7
214.05078	4.8
215.03529	0.8
215.05508	0.5
224.03569	0.6
225.04433	1.4
228.97357	0.4
241.03830	2.0
242.04616	17.1
243.02858	2.4
243.05124	0.8
286.03589	100.0
287.03909	6.2
318.06210	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	318.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99853	1.3
66.03478	0.8
78.03501	0.8
79.22955	0.3
91.01954	0.3
94.03000	1.4
95.01415	1.4
98.21883	0.6
105.02199	0.3
107.01405	0.3
109.02957	4.1
121.01708	0.3
122.02493	14.2
123.00877	1.4
123.03294	0.4
128.70229	0.2
133.01755	1.3
134.02495	14.2
135.02853	0.7
147.04561	0.6
148.00458	0.5
149.01279	0.4
150.01984	38.9
151.02348	1.0
171.04527	0.7
172.04085	0.6
173.02390	0.4
175.04060	0.3
177.00665	0.5
180.03029	0.3
181.03841	0.5
182.04604	15.9
183.04979	0.5
186.05644	3.4
187.03995	0.6
196.04057	1.7
196.06059	0.5
197.04840	0.5
197.16615	0.3
198.05588	1.2
199.02763	0.8
202.05096	0.4
212.03574	0.9
213.04297	1.7
214.05142	7.4
215.03529	0.4
215.05473	0.4
224.03604	0.6
225.04343	2.0
226.63307	0.3
230.04611	1.5
240.02956	0.3
241.03842	2.2
242.04602	21.9
243.02971	1.9
243.04996	0.6
258.04291	1.2
258.06552	0.2
286.03598	100.0
287.03940	5.9
318.06207	9.9
318.09961	0.5
319.06561	0.8
319.15482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15397	0.2
55.15749	0.2
61.26691	0.2
65.99860	0.7
66.03490	0.4
69.03455	0.6
70.88437	0.4
78.03483	0.2
79.01897	0.5
84.35838	0.2
86.31400	0.2
94.02987	0.8
95.01404	0.7
97.02950	0.3
107.01407	1.4
109.02947	0.5
122.02492	6.9
123.00892	1.0
125.02500	0.3
133.01694	1.3
133.32635	0.2
134.02498	12.8
135.00890	0.6
141.83931	0.3
143.05034	0.4
145.02998	0.3
147.04503	0.7
150.01979	15.3
151.02409	0.4
160.03983	0.4
168.04605	1.1
171.04471	0.3
172.04001	0.3
182.04587	2.4
186.05600	3.1
196.04108	1.5
197.04861	0.7
198.05594	0.8
200.03522	0.7
212.03517	0.8
213.04309	2.1
214.05107	6.7
215.03572	0.6
215.05499	0.3
216.02983	0.4
224.03543	1.2
225.04315	3.9
231.01711	0.5
240.03001	0.8
241.03819	12.9
242.04597	45.3
243.02917	1.3
243.05106	2.6
258.04007	0.5
286.03589	100.0
287.03952	7.0
318.06186	11.0
319.06454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01385	96.4
71.01388	39.5
71.17779	1.1
72.01707	1.0
72.99294	1.1
73.02952	2.5
83.01397	4.3
83.08751	0.8
85.02962	9.6
87.00877	1.4
88.95590	0.8
89.02452	41.1
95.01397	2.9
101.02457	28.2
103.04072	0.9
105.02573	0.8
112.04050	4.4
113.01722	1.1
113.02473	16.7
114.05606	1.0
119.03515	18.5
126.58305	0.8
131.03603	1.0
138.05629	20.9
143.03503	1.3
149.04613	1.3
154.05080	0.9
156.06674	17.4
161.04568	1.5
171.96504	1.0
179.05664	2.3
187.07643	2.7
310.35876	0.8
310.39920	1.0
318.11957	100.0
319.12433	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	319.0804
Annotation	Flustramine E
Peak:m/z	Relative Intensity
59.01383	24.2
65.93328	22.4
69.93829	75.1
72.17114	25.6
74.17712	24.2
114.15105	20.0
119.03449	24.8
120.62565	22.0
121.05015	29.0
131.15298	23.4
166.66541	22.0
260.69284	22.3
263.37488	24.4
283.10437	94.8
319.07959	100.0
343.38721	22.9
343.70209	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	319.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32122	0.7
59.01386	11.4
65.99845	1.2
69.03497	0.8
71.01386	4.5
72.00907	0.9
83.01419	1.2
87.00910	1.3
89.02454	3.0
101.02461	3.0
104.46798	0.9
109.01675	1.0
112.04064	10.4
119.03529	1.1
120.04610	2.5
121.05364	5.6
122.06137	5.9
123.03279	17.3
124.04063	17.9
128.05170	0.8
136.07700	45.5
137.06110	3.4
137.08022	1.6
138.05627	100.0
139.05936	3.5
139.07695	1.6
140.07202	4.7
174.03189	1.1
182.04613	7.1
183.05420	10.5
184.06172	25.1
203.08313	1.5
214.12465	1.7
215.04391	1.7
242.10570	1.0
257.13016	10.0
283.07074	1.6
301.11975	1.3
319.09134	1.2
319.13046	8.4
319.21249	2.1
320.13208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02996	0.7
51.94543	0.7
58.02982	8.3
59.01392	0.9
69.06789	3.0
69.07196	1.7
72.00900	6.4
82.06644	3.5
84.08208	0.7
91.05542	22.8
91.57208	0.7
107.59875	0.7
107.75652	0.7
109.07796	0.7
112.07676	3.2
118.06626	4.0
126.09267	2.2
129.10353	86.5
130.10706	1.4
135.04692	0.8
147.04533	31.4
147.50816	0.8
153.10338	5.5
154.08765	13.9
162.09087	0.8
164.07173	77.8
165.07520	2.9
171.11404	63.6
172.11797	1.4
180.00728	0.7
216.14023	1.5
221.27438	0.8
233.16597	42.2
234.16933	2.2
244.62970	0.9
275.17743	6.1
277.15527	3.1
277.72983	0.7
301.14575	1.1
305.02451	0.8
319.16617	100.0
320.16885	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	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
69.30222	1.0
130.08768	0.4
151.02780	0.2
215.10840	0.2
243.09998	0.2
275.12961	0.2
303.16797	0.2
319.22775	100.0
320.23111	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	321.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	5.1
59.01382	100.0
62.15840	3.6
63.79084	3.8
71.01389	66.3
71.05046	3.5
71.39966	5.5
73.02938	14.2
83.01393	7.3
85.02964	21.6
87.00897	7.3
89.02456	40.9
97.06613	25.3
99.04533	4.7
101.02452	37.8
108.93755	32.3
111.00880	10.3
113.02450	25.7
119.03515	14.9
122.95337	9.1
129.03656	4.2
132.98206	3.9
134.24973	3.5
135.04539	4.4
141.05627	24.2
158.78683	4.4
159.06631	17.1
160.04042	14.9
161.04536	14.3
174.94766	6.3
192.61287	3.6
199.88557	3.3
202.94301	43.0
224.50302	3.7
224.91603	10.2
228.92244	24.7
235.05545	4.4
246.93268	7.8
266.92633	24.4
303.10657	5.0
321.11938	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98714	0.7
55.01894	0.8
59.01386	19.7
61.05249	0.7
69.57396	0.6
71.01386	7.0
73.02950	1.4
80.96518	0.8
82.37658	0.6
84.04574	0.8
85.02970	2.6
89.02445	2.2
95.05024	0.9
101.02444	4.2
112.04057	12.9
113.02457	1.7
119.03534	1.3
121.05367	2.2
122.06149	5.7
123.03294	3.9
123.06874	1.4
124.04055	12.8
124.07691	7.1
134.06126	3.1
136.07697	100.0
137.06107	14.0
137.08022	3.2
138.05627	29.5
138.09254	16.7
139.05965	1.0
139.09628	0.8
139.54456	0.7
140.07202	4.5
147.04520	0.8
161.04575	1.7
166.05154	1.0
175.04016	0.8
182.04506	1.2
183.05357	1.2
184.06175	20.4
187.09883	0.8
203.03561	2.9
216.13913	1.9
216.37236	0.8
218.05887	1.7
233.08272	1.3
259.14529	20.6
260.14944	1.6
277.07153	1.9
303.08658	1.0
303.13553	1.7
321.10031	1.7
321.14584	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.4
57.03445	4.6
59.01387	100.0
60.01714	1.1
68.26575	0.8
68.99844	1.6
69.05200	4.6
69.05614	1.7
71.01392	73.1
72.99319	2.5
73.02955	17.2
75.00882	1.0
81.03432	0.9
82.03015	1.0
83.01392	8.9
85.02962	26.1
87.00888	5.8
87.04527	1.7
88.07755	0.8
89.02454	41.4
95.01389	5.1
97.02947	0.9
97.06618	0.9
99.00925	5.7
99.04533	3.0
101.02455	55.6
111.00912	1.9
113.02467	33.1
115.07642	0.9
119.03517	22.2
121.02967	1.0
123.08163	1.8
125.02477	1.9
129.01926	1.1
131.03494	2.5
138.05614	1.1
143.03528	4.0
159.03012	4.8
159.10271	8.8
160.04047	1.0
161.04562	17.8
173.06223	0.9
179.05652	2.2
183.69301	0.8
201.05920	3.9
234.03844	1.2
248.05557	0.9
249.05991	2.4
259.11063	1.3
321.04507	2.7
321.10397	3.9
321.15546	34.9
322.15674	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.6
57.03448	4.2
57.37779	1.1
59.01385	97.7
68.99827	1.2
70.69769	2.0
71.01389	100.0
72.01714	2.0
72.99321	2.4
73.02950	25.1
83.01381	8.9
85.02959	33.2
86.56894	1.3
87.00881	4.3
87.04525	3.1
89.02454	46.9
95.01408	7.0
96.26744	1.2
97.02980	2.0
97.06583	1.2
99.00889	8.1
101.02456	67.2
102.02763	1.8
113.02461	44.4
119.03519	18.6
125.02451	2.0
131.03551	2.2
138.84561	1.2
143.03525	3.9
150.39516	1.1
152.03526	3.3
159.03078	11.5
159.06654	1.4
159.10292	8.8
160.04065	46.0
161.04587	32.2
161.05951	0.9
179.05550	2.2
321.15543	22.2
322.09424	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	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	0.9
69.10706	1.6
69.11112	2.0
71.01385	14.5
72.99324	0.7
75.00877	0.8
82.78522	0.5
83.01405	1.1
85.02979	3.5
87.00891	0.8
89.02451	15.0
95.01391	1.2
98.22682	1.0
101.02454	9.0
108.95703	0.6
113.02470	6.0
119.03519	7.6
120.56126	0.6
136.07721	0.6
138.05797	0.5
141.09299	1.0
143.03598	0.7
149.04546	0.9
151.03009	0.5
151.65137	0.5
161.04559	1.0
179.05687	0.9
200.92429	0.5
239.07423	0.5
321.15570	10.9
322.16003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03454	1.3
57.37614	0.8
58.00604	1.2
59.01385	100.0
62.98160	0.8
71.01387	41.2
71.41994	0.7
72.99329	1.4
73.02956	2.2
83.01412	2.6
85.02967	8.8
86.03267	0.7
89.02454	38.4
90.02762	0.7
95.01404	3.4
99.00912	0.7
101.02453	26.4
113.02462	13.6
118.98081	0.6
119.03514	16.0
125.83964	0.7
128.05597	0.7
131.03479	1.4
134.03760	0.8
141.09253	15.0
143.03539	0.9
159.10277	4.4
162.23138	0.7
168.57898	0.7
179.05666	1.2
182.60036	0.7
193.05072	1.6
206.03613	0.8
321.15567	80.1
322.15839	5.2
344.34827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03454	1.1
58.00599	1.1
59.01382	100.0
65.60315	0.5
69.31840	3.5
71.01385	40.9
72.99335	0.8
73.02948	1.2
83.01406	1.9
85.02954	7.2
87.00883	1.3
87.58324	0.6
88.72741	0.6
89.02448	38.6
95.01402	2.8
101.02448	27.2
113.02460	14.5
113.09734	1.2
119.03504	17.7
131.03526	1.4
141.09238	12.8
143.03540	1.4
149.04555	1.1
159.04581	1.1
159.10257	3.2
161.04543	0.9
179.05608	0.9
254.15259	0.6
290.99844	0.7
321.15552	70.4
322.15930	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	321.1709
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
54.92808	1.0
56.45699	0.9
57.13276	0.9
59.01369	1.5
68.79461	1.0
70.61733	2.1
71.05027	10.0
73.02956	1.4
79.17245	1.1
81.03461	2.7
86.43260	0.9
89.93560	1.1
93.03446	2.5
95.01382	1.3
95.05031	1.1
96.96036	2.4
97.02946	1.3
97.06592	2.0
107.05019	1.6
108.02179	20.3
109.02999	1.2
109.06620	2.5
111.04556	2.1
111.08128	1.6
112.55350	1.0
121.02956	39.8
121.06555	1.3
122.03754	33.8
123.04510	3.7
127.07707	1.2
134.03738	3.7
135.04497	6.5
136.05295	3.9
137.06097	25.4
138.06361	1.0
139.11290	3.0
149.06061	1.8
160.05305	4.4
163.04021	4.4
165.12817	1.3
171.10313	2.9
173.32428	1.2
178.06374	37.9
183.10310	1.2
195.10204	1.2
197.11913	1.3
199.13394	19.2
200.13828	1.2
204.11639	1.6
205.12369	16.8
231.10284	3.8
232.11090	4.5
247.13379	13.6
249.11320	41.5
250.12093	30.8
251.12518	2.0
259.17133	1.3
264.13760	1.2
265.14499	15.5
276.11679	1.2
277.18018	2.3
285.15018	8.0
303.16019	25.5
304.16284	3.1
306.14694	1.6
321.17081	100.0
322.17447	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	321.1709
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
54.81562	0.8
57.03430	1.0
59.01364	1.3
87.12188	0.7
87.84023	0.7
96.96033	1.1
97.06591	2.5
97.35301	0.7
107.08689	0.7
109.06605	2.1
121.02955	1.8
122.03751	8.3
123.04572	1.5
123.08167	2.2
125.06173	1.1
125.09727	7.3
133.06627	1.4
135.04568	3.6
136.01608	1.1
136.05319	9.4
137.06084	1.3
143.07170	4.4
149.06085	5.9
150.06865	3.1
151.07668	21.6
152.07953	1.4
159.04533	1.2
159.27621	0.8
162.03197	1.2
170.02829	0.8
174.06833	1.3
177.05585	58.2
178.05951	2.3
181.12286	0.8
181.59436	0.8
182.58612	0.7
185.11839	7.7
197.11864	2.1
207.10315	2.2
209.11838	4.2
225.11339	1.6
247.13351	1.4
249.15105	0.8
259.17084	3.5
277.18167	5.9
285.15009	5.7
286.15396	1.1
303.16028	26.5
304.16455	2.7
321.17075	100.0
322.17392	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	321.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65374	2.0
59.01370	8.3
71.05021	3.0
89.45464	1.9
96.96015	2.5
97.06643	2.9
103.08048	2.0
109.06622	2.6
111.04522	5.8
148.08997	2.5
149.09738	2.3
150.10492	3.9
153.39671	1.7
163.11298	27.4
165.03337	2.0
165.12859	4.8
182.96767	2.0
189.12927	2.1
191.14445	50.4
192.14738	4.7
205.12292	5.9
215.14412	2.0
217.15971	4.2
231.09837	1.8
245.19118	36.3
271.17059	5.1
289.18143	100.0
290.18454	9.1
309.07538	1.9
321.17230	3.6
321.20694	60.6
322.21048	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.0
61.17852	1.6
69.26928	10.8
75.00919	2.0
96.96007	1.7
97.06601	2.1
110.08080	2.0
113.22137	1.8
118.96059	2.0
121.86012	1.7
131.05054	2.1
148.09027	2.3
151.11334	2.1
165.12868	6.4
172.94395	1.9
176.48074	1.8
185.71622	1.8
191.10822	17.3
191.14397	4.0
203.14531	2.2
208.08334	1.9
217.15900	2.1
237.11227	4.6
245.19087	28.8
261.18716	2.8
271.16946	3.8
281.80832	1.9
289.18130	100.0
290.18445	7.2
316.20316	2.0
321.17279	3.6
321.20746	68.1
321.24161	4.0
322.21051	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	322.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56372	0.6
59.01385	17.5
60.14849	0.6
61.37764	0.6
69.73997	1.6
69.74348	1.2
71.01378	2.4
72.00504	1.3
72.00913	24.7
73.02988	0.6
85.02946	1.4
85.38051	0.6
89.02459	1.9
91.05544	2.2
98.21889	0.7
101.02439	1.3
101.34119	0.6
103.05543	2.1
113.02459	0.8
118.06601	1.1
134.03722	0.7
141.98244	6.4
147.04539	61.1
148.04881	2.8
160.04057	7.8
161.04555	1.5
164.07179	100.0
165.07512	3.8
174.99234	1.7
187.98792	7.0
188.99194	0.7
229.99852	1.6
263.11319	1.8
264.94724	0.7
294.03119	0.8
322.06107	78.3
323.06378	5.7
323.13348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0724
Annotation	Oxosarcocapnidine
Peak:m/z	Relative Intensity
59.01342	2.5
60.03607	0.6
64.38970	0.6
69.10434	4.3
71.01357	1.5
84.92793	0.5
89.02397	1.4
93.09420	0.6
101.02426	1.1
105.40918	0.7
118.81475	0.5
216.19148	0.7
219.62004	0.6
220.03970	3.1
235.02652	1.0
236.03537	6.0
248.03554	1.5
250.05101	4.2
251.05850	2.5
261.04266	1.2
264.03033	66.2
265.03336	5.2
278.04605	1.6
279.05359	1.7
289.03714	0.7
292.02536	57.2
293.02905	4.1
306.04050	2.2
307.04877	100.0
308.05222	6.9
322.07220	82.3
323.07477	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	322.0936
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
53.24512	0.9
57.03436	1.2
58.00609	1.1
59.01384	100.0
60.01726	1.4
68.42223	0.9
69.05079	2.3
69.05483	3.9
71.01387	39.6
72.17099	0.8
72.99332	1.4
73.02966	2.4
73.21299	0.8
83.01406	2.6
84.74878	0.9
85.02955	9.7
87.00887	2.5
89.02456	41.5
90.02805	1.3
95.01408	2.8
101.02451	23.5
113.02460	17.0
116.05079	25.9
117.05376	0.9
119.03519	17.8
131.03532	2.7
143.03519	2.3
144.04553	1.6
160.04060	48.1
161.02472	1.1
161.04556	3.4
179.05664	3.6
202.05103	19.7
232.06224	3.7
262.07230	30.3
263.07660	1.5
322.09378	40.3
322.16003	2.5
323.09778	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2026
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02985	1.9
62.86782	0.2
76.01939	0.3
81.03464	0.4
83.05038	0.4
95.05024	0.7
97.06602	0.5
109.06601	0.6
113.08276	0.2
116.82497	0.2
125.09753	0.4
128.10834	7.1
130.08754	100.0
131.09097	3.0
133.37686	0.3
135.08189	0.2
165.12854	0.9
197.11917	0.3
201.11389	0.3
209.11884	1.6
305.17566	1.7
322.20267	28.5
323.20963	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
59.01386	100.0
60.01717	1.2
68.40672	0.8
69.00697	0.7
70.30363	1.0
70.30688	1.4
70.69107	0.7
71.01388	5.1
73.02964	1.3
83.01422	0.7
89.02446	4.8
99.04541	1.0
101.02462	2.6
101.05032	0.7
110.93513	0.8
113.02502	2.5
119.03527	2.2
152.66748	0.7
159.03217	0.8
161.04604	2.5
162.05661	3.0
166.46327	0.6
179.05719	0.9
204.94043	1.1
207.35568	0.7
210.16583	0.7
263.11484	1.6
323.13620	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	323.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36387	1.1
57.21803	1.1
59.01358	1.7
66.35281	1.0
69.06797	5.5
69.07198	2.3
71.05021	1.6
75.14982	1.1
80.02676	1.6
81.03459	1.6
83.05039	7.0
84.02195	1.9
95.05045	2.6
97.06606	3.2
97.38492	1.1
107.05051	12.9
109.06584	4.1
110.03722	2.5
113.06068	2.2
114.57017	1.3
121.02957	1.5
122.65008	1.2
123.04554	1.9
123.08221	1.9
125.02477	3.4
125.06107	5.0
125.09753	9.8
128.05556	1.3
135.08226	5.7
153.09206	11.6
163.11333	7.9
165.12854	3.3
176.08450	2.8
178.09978	2.1
185.11870	3.2
191.10834	1.7
197.11838	12.2
207.10234	6.8
209.11848	100.0
210.12202	5.1
225.11328	6.6
236.10483	2.6
243.17508	2.2
261.18597	7.3
263.16626	1.7
269.15533	1.5
277.18118	1.8
279.19617	3.6
287.16562	9.8
305.17618	72.5
306.17877	5.5
323.18695	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.97001	0.9
57.03465	1.7
59.01379	3.2
67.54443	1.3
71.05038	1.2
80.02686	3.2
81.03473	2.6
83.05042	8.0
84.02164	1.1
95.05044	4.2
97.06612	3.9
100.65965	1.1
102.49448	1.1
107.05032	12.9
109.06606	3.2
110.03754	3.4
123.04526	1.8
123.08179	2.2
125.02478	2.6
125.06107	6.4
125.09725	13.7
135.08145	6.1
153.09224	17.2
163.11304	8.2
165.12866	3.3
176.08444	2.2
178.10078	3.8
181.12416	1.6
185.11839	3.8
191.10826	2.2
197.11867	16.4
201.11316	7.9
205.20123	1.1
207.10307	8.2
209.11847	100.0
210.12251	5.2
225.11360	7.9
236.10599	2.5
243.17578	2.2
253.10851	1.8
261.18597	6.9
263.16391	1.5
277.18188	1.5
279.19617	4.7
287.16562	12.4
295.19232	1.4
305.17606	86.7
306.18027	7.1
323.18631	28.9
324.18930	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	323.1865
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
50.70325	2.6
57.03435	3.4
59.01379	6.8
62.99153	2.5
69.03467	2.6
71.05019	3.9
81.03457	4.5
83.05021	8.9
95.05013	6.9
97.06602	7.4
98.22684	6.1
107.05052	19.2
109.06610	5.5
110.03809	3.5
113.06114	4.1
115.07648	4.6
125.06137	7.7
125.09737	17.8
135.08153	7.3
136.77278	2.3
137.09727	6.1
149.09727	2.8
151.11339	5.3
153.09206	20.1
163.11334	13.5
165.12836	3.7
171.10216	6.3
174.88242	2.4
178.10092	2.6
185.11839	6.5
197.11839	14.8
198.46208	2.6
201.11365	2.6
207.10228	12.0
209.11850	100.0
210.12164	9.2
213.11234	3.0
215.12959	2.9
225.11319	13.9
227.12965	6.2
252.10155	2.8
261.18539	8.8
279.19699	13.5
287.16611	12.8
291.19681	13.5
305.14221	5.5
305.17563	94.1
305.21185	36.3
306.17953	7.0
323.18567	22.2
323.22318	16.9
339.23230	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	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.8
59.01377	14.0
66.15218	4.2
83.05122	4.5
87.90841	3.6
93.03448	5.7
98.21837	6.8
107.05025	11.6
109.06599	14.7
111.08165	5.2
121.02930	6.2
121.06610	9.9
122.03802	3.7
123.08184	9.7
125.09745	7.0
127.07655	5.8
133.06621	22.0
135.04543	6.5
137.09760	3.9
139.07697	8.8
139.11293	14.0
151.07674	89.6
151.11290	3.9
153.09222	10.7
161.44359	3.8
167.10838	4.7
169.08687	6.5
171.10289	100.0
179.10596	3.9
181.12349	4.7
183.10251	5.9
185.11806	3.7
197.11926	5.0
201.11296	11.0
209.11752	17.9
215.12852	11.2
225.11217	5.5
243.17584	22.3
261.18570	13.4
279.19742	18.9
287.16531	18.7
305.17587	87.3
305.21194	17.1
306.17990	7.1
306.21844	4.2
323.18820	21.2
323.22092	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	323.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35692	3.0
59.01373	8.1
69.03459	12.7
71.01395	4.3
71.39825	4.7
97.02959	9.1
97.06502	3.4
101.53210	3.2
123.04572	4.7
123.08145	7.9
125.09754	8.4
136.05264	5.4
137.09734	4.4
153.09242	5.8
161.09718	7.0
173.20796	3.9
177.12798	4.1
179.10796	35.8
197.11847	62.0
198.12091	5.1
205.08720	3.8
221.11852	6.1
223.09782	39.3
241.10826	44.1
253.14420	11.0
291.19696	13.1
305.17816	9.9
305.21228	100.0
306.21536	11.9
323.18552	17.1
323.22275	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
54.55923	1.6
57.03425	1.6
58.39804	1.7
59.01386	3.0
68.54952	1.8
69.03471	2.1
69.79636	1.6
76.47285	1.6
80.02678	2.1
81.03469	2.3
94.12627	1.6
97.02983	1.8
97.89660	1.5
98.22773	3.4
109.06647	2.3
110.03770	2.4
123.04552	6.1
123.08177	8.2
125.09743	4.7
137.09726	2.4
139.11322	5.8
151.07695	3.4
152.08498	2.9
153.09232	4.0
163.11328	2.0
163.95647	1.4
171.10335	1.6
177.12889	5.9
179.10831	5.3
181.12302	1.6
185.11868	1.6
193.12437	1.5
195.13972	12.6
197.11832	14.1
207.10461	1.7
209.11809	1.9
211.13454	3.7
221.11836	22.2
221.15456	3.6
223.09795	4.6
241.10881	6.6
247.20712	4.4
253.14452	24.0
261.22281	2.1
273.18576	3.5
291.19714	57.7
292.20105	5.3
305.17822	2.9
305.21204	42.1
308.19913	7.9
323.22299	100.0
324.22598	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	323.2229
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03435	2.1
59.01363	2.2
60.47345	0.7
62.33779	0.7
80.43770	0.7
83.05027	1.0
96.96011	1.1
97.06593	1.1
98.22696	1.8
103.96310	0.8
107.04999	1.5
111.08147	1.7
125.09708	1.7
141.09216	0.9
163.11266	1.1
165.12848	8.2
165.32425	0.9
181.12334	1.4
183.13692	1.0
191.14365	1.0
191.46968	0.8
193.12337	2.0
193.18015	0.7
209.11740	1.1
217.15868	2.1
228.80858	1.0
237.14923	1.9
247.20663	4.6
273.18561	4.2
291.19684	100.0
292.20026	6.9
296.59097	0.8
305.21390	1.4
308.19931	6.9
311.23032	0.8
323.22293	97.9
324.22647	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	324.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78669	1.0
59.01382	60.4
60.01705	1.2
67.01886	2.8
67.16001	1.0
69.03436	1.0
70.70834	1.0
71.01387	11.1
72.99323	1.6
73.02936	5.6
81.03459	1.2
83.01389	2.7
84.04554	2.7
85.02959	5.8
87.00880	2.2
89.02441	7.3
95.01395	1.4
96.04535	1.2
97.02948	1.0
99.04521	1.4
101.02447	9.1
103.04007	3.4
108.04522	1.8
109.02945	5.7
110.02479	7.8
111.00887	19.2
112.98820	1.1
113.02447	3.9
119.03487	2.1
119.05066	1.5
120.04581	1.5
121.02969	3.3
121.05064	3.6
123.04537	15.7
124.00758	1.4
124.18185	1.0
125.19920	1.1
128.03523	1.7
131.03702	2.2
132.04550	1.8
132.98230	1.0
133.02934	1.4
134.03758	6.7
135.04501	3.8
137.02411	1.4
143.03470	1.1
148.02579	1.1
148.04042	6.4
149.04866	6.9
149.05946	1.6
150.05612	100.0
151.03984	2.3
151.05931	2.8
152.03442	1.2
159.04515	2.6
161.04556	3.7
162.05624	44.2
163.06075	2.2
166.05112	1.5
171.78876	1.1
175.07625	4.2
176.03517	6.9
187.06245	1.6
193.05064	9.8
200.07230	3.0
202.96832	1.0
218.08235	33.4
219.08543	1.8
244.06114	3.8
262.07211	65.8
263.07495	3.5
265.09262	3.2
280.08331	3.0
283.10422	4.7
324.07373	5.5
324.10602	1.9
325.10983	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	324.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82378	6.5
73.26866	4.7
111.83441	4.4
127.02243	5.4
129.91562	5.1
150.12624	4.4
183.01228	48.5
184.02060	7.9
218.79546	4.3
325.18430	100.0
325.22147	7.0
349.22757	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09895	1.2
53.51611	1.3
59.01383	40.9
66.16102	1.5
70.20309	1.8
70.20627	1.7
72.99308	5.6
76.27330	1.6
87.00880	22.2
98.22565	1.7
103.00387	14.5
105.59677	1.4
117.03480	2.6
130.99879	5.0
134.03752	100.0
135.04074	2.4
149.00928	52.9
149.06108	7.6
178.02728	12.2
193.05067	85.9
194.05405	3.6
301.88757	1.9
311.11597	1.5
326.13943	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.3
59.01381	23.2
67.34933	1.0
69.63738	2.3
69.64085	2.0
71.01378	4.3
72.99313	1.6
73.02940	1.6
78.95860	1.2
82.66442	1.0
83.82665	1.0
85.02958	11.9
87.00898	14.0
89.02440	2.9
89.04003	1.3
90.97128	1.6
95.01379	1.4
96.92116	0.9
98.21921	1.6
99.04525	4.2
101.02461	6.4
102.76952	0.9
103.00396	5.3
105.03800	3.8
111.00880	6.1
112.98823	12.3
113.02454	12.2
117.03463	8.5
119.05033	1.1
129.01947	5.4
133.05080	3.2
134.03763	87.5
135.04059	3.0
143.02017	2.6
143.03491	1.5
146.02512	2.1
146.06126	1.5
149.00920	4.1
149.06085	6.5
151.04073	1.3
161.04593	2.1
162.05661	2.3
163.03951	1.4
163.06094	4.7
168.99950	5.1
173.01050	1.0
175.02399	2.0
175.07704	0.9
178.02734	4.1
181.07201	9.8
184.97675	8.5
193.05077	100.0
194.05458	5.3
204.93945	1.9
212.98943	3.8
219.01680	1.3
226.98820	1.1
228.96674	12.0
263.00455	1.4
325.05399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	(2S,3S)-cis-fertaric acid
Peak:m/z	Relative Intensity
53.32015	1.2
54.04787	1.2
54.61253	1.2
57.92632	1.2
58.26834	1.5
59.01386	67.8
64.31859	1.3
64.83631	1.5
72.99319	3.6
73.37122	1.4
87.00893	29.9
91.21242	1.3
96.19790	1.3
103.00380	18.8
117.03479	5.0
130.99889	5.4
134.03758	100.0
135.04076	3.1
137.02496	2.4
145.02975	4.8
149.00938	23.3
149.06071	16.4
178.02715	23.1
193.05083	98.4
194.05423	3.5
196.28833	1.4
214.57697	1.3
228.68774	1.3
250.63023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
58.87033	0.8
59.01384	13.9
71.01390	6.7
71.05037	2.0
71.41942	0.9
72.99320	4.1
73.02956	2.8
75.00881	36.6
75.08964	1.0
77.58360	1.0
81.03468	3.6
87.00887	8.8
96.96010	1.1
97.78239	1.0
99.00893	9.6
99.04536	3.5
103.00378	2.5
117.03434	1.1
119.05036	45.0
120.05363	1.2
134.03754	13.1
135.04494	1.1
136.83371	0.9
143.03520	10.3
149.00922	3.2
149.06003	1.2
161.04630	5.8
163.04022	53.9
164.04442	1.4
165.23032	0.9
177.32281	1.0
178.02702	2.8
178.96518	0.9
179.05629	100.0
180.05965	3.1
193.05087	15.8
195.14508	0.9
219.55798	0.9
224.04732	1.4
225.05621	1.6
310.03244	1.5
310.10529	2.0
311.11713	2.0
325.09238	2.6
325.13217	4.1
326.13922	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34125	0.4
59.01391	3.2
60.32489	0.4
61.49970	0.5
69.45731	1.9
71.01414	0.6
71.59490	0.6
86.63589	0.5
87.00895	1.6
89.02464	0.5
91.64268	0.5
93.03503	0.6
103.00385	0.6
116.92950	0.7
117.03448	0.6
119.05044	100.0
120.05367	3.2
130.79117	0.5
134.03767	4.3
149.00987	0.7
149.06047	0.7
161.05898	0.5
163.04031	65.5
164.04393	2.9
178.02652	0.9
179.05597	1.1
185.98616	0.5
190.02750	1.0
193.05103	3.7
205.05086	1.4
221.08188	1.0
223.06026	0.7
225.05576	5.5
244.83269	0.5
250.96198	0.5
253.05099	5.4
265.07217	1.3
275.34448	0.4
280.09930	1.1
280.13727	0.4
281.10373	0.6
282.11325	0.6
295.12259	1.0
311.11694	5.1
319.12485	0.5
320.72604	0.6
325.09262	0.8
326.14005	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01387	2.7
59.08044	0.4
69.52482	1.6
71.01399	0.6
79.38412	0.4
85.65568	0.4
87.00892	1.2
93.03456	0.7
98.21853	1.0
101.02460	0.5
103.00373	1.2
112.87247	0.4
117.03519	0.9
119.05041	100.0
120.05358	3.0
133.02972	1.1
134.03763	2.6
135.04425	0.6
135.05452	0.5
145.02969	3.6
158.22246	0.4
163.04027	78.8
164.04407	2.9
177.02007	0.5
178.02782	1.0
190.02754	1.8
193.05098	3.3
205.05087	1.9
206.05779	0.7
207.03085	0.6
209.73856	0.4
211.53279	0.4
221.08318	1.0
223.06110	1.9
225.05565	0.4
251.37393	0.4
253.05081	1.5
265.07224	1.5
311.11530	1.2
325.09470	1.0
326.13913	1.4
335.72998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03456	2.2
59.01385	100.0
59.89891	0.6
60.01715	1.5
68.92426	0.7
71.01386	19.3
72.26302	0.6
73.02954	15.3
75.00893	1.0
79.95769	0.9
81.03476	0.8
83.01402	3.9
85.02955	9.1
86.03331	0.9
87.00885	3.4
89.02444	12.6
89.02935	0.8
95.01418	2.0
97.02899	0.9
99.00913	1.7
99.04534	1.7
101.02448	16.9
103.04018	8.3
105.03815	2.5
109.02931	1.2
111.00903	1.7
111.04549	0.8
112.01244	0.8
112.98862	2.0
113.02457	7.6
117.03497	0.9
119.03497	6.0
119.05035	1.5
121.05077	7.0
123.04563	2.0
124.00792	2.9
124.04918	1.6
125.02456	1.2
128.87604	0.6
130.31244	0.7
131.03496	1.6
133.02954	1.4
134.03760	12.9
134.04709	1.2
135.04501	1.1
143.03546	1.4
146.02571	1.0
149.04622	0.7
149.06117	0.8
150.05598	5.0
151.04103	0.7
151.06017	6.6
160.70869	0.6
161.04590	5.7
162.05666	1.8
162.93080	0.6
163.04057	2.0
163.06056	4.7
163.09747	0.9
164.03519	0.9
164.07225	0.8
164.10864	0.7
167.08286	0.8
177.02014	1.1
179.05692	1.4
181.07234	1.6
184.01079	1.1
187.06120	5.1
193.05067	15.2
193.06740	1.0
194.05486	1.0
195.04500	1.7
200.83481	0.6
219.08575	3.1
223.04111	0.8
223.08298	3.2
226.98909	0.8
253.71107	0.6
263.07504	6.2
265.09338	5.5
269.73392	0.8
283.10327	11.8
302.76932	0.6
315.57266	0.7
325.10977	7.4
325.14633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1143
Annotation	Neohesperidose
Peak:m/z	Relative Intensity
55.01893	0.8
57.03456	2.2
59.01385	100.0
59.89891	0.6
60.01715	1.5
68.92426	0.7
71.01386	19.3
72.26302	0.6
73.02954	15.3
75.00893	1.0
79.95769	0.9
81.03476	0.8
83.01402	3.9
85.02955	9.1
86.03331	0.9
87.00885	3.4
89.02444	12.6
89.02935	0.8
95.01418	2.0
97.02899	0.9
99.00913	1.7
99.04534	1.7
101.02448	16.9
103.04018	8.3
105.03815	2.5
109.02931	1.2
111.00903	1.7
111.04549	0.8
112.01244	0.8
112.98862	2.0
113.02457	7.6
117.03497	0.9
119.03497	6.0
119.05035	1.5
121.05077	7.0
123.04563	2.0
124.00792	2.9
124.04918	1.6
125.02456	1.2
128.87604	0.6
130.31244	0.7
131.03496	1.6
133.02954	1.4
134.03760	12.9
134.04709	1.2
135.04501	1.1
143.03546	1.4
146.02571	1.0
149.04622	0.7
149.06117	0.8
150.05598	5.0
151.04103	0.7
151.06017	6.6
160.70869	0.6
161.04590	5.7
162.05666	1.8
162.93080	0.6
163.04057	2.0
163.06056	4.7
163.09747	0.9
164.03519	0.9
164.07225	0.8
164.10864	0.7
167.08286	0.8
177.02014	1.1
179.05692	1.4
181.07234	1.6
184.01079	1.1
187.06120	5.1
193.05067	15.2
193.06740	1.0
194.05486	1.0
195.04500	1.7
200.83481	0.6
219.08575	3.1
223.04111	0.8
223.08298	3.2
226.98909	0.8
253.71107	0.6
263.07504	6.2
265.09338	5.5
269.73392	0.8
283.10327	11.8
302.76932	0.6
315.57266	0.7
325.10977	7.4
325.14633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63000	0.7
55.01881	0.8
56.86372	0.7
59.01385	100.0
60.01733	1.3
61.98838	1.3
69.88642	1.5
71.01405	4.0
73.02962	2.0
85.02976	2.3
87.00890	1.2
92.02732	0.7
99.00893	1.4
101.02449	4.7
113.02462	1.4
134.03787	5.6
134.04680	0.9
147.04506	0.8
161.04578	5.1
162.30608	0.7
163.06059	0.9
193.05060	5.7
265.12982	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.7
59.01385	4.9
59.69500	1.1
60.72038	1.0
62.75129	0.9
67.01894	1.2
69.03442	4.8
69.58393	1.0
71.01369	2.5
71.05031	8.3
71.07322	1.3
73.02939	1.3
80.02674	2.2
81.03458	2.4
82.07809	1.0
83.05039	8.2
84.02186	1.3
85.06601	3.0
87.04504	2.3
91.05529	2.9
93.03436	1.8
95.05045	3.8
97.02957	7.5
97.06606	5.8
98.21947	1.3
107.05045	2.9
109.06601	33.1
111.08151	3.0
113.06079	1.2
115.07664	1.3
123.08183	1.3
125.06096	3.2
125.09736	2.2
127.07657	3.8
141.09215	1.2
144.30396	1.0
149.09703	2.2
151.11278	3.2
153.09204	1.7
153.12872	1.5
158.41898	1.0
160.37900	1.1
165.09149	1.4
165.12860	2.1
169.12360	6.8
171.10301	2.6
177.12962	1.6
181.12358	4.8
183.13985	2.7
193.12347	6.2
195.10242	2.5
195.13954	1.5
197.11841	52.5
198.12175	1.8
199.13383	4.2
201.11270	2.8
209.11835	3.1
211.13396	33.2
212.13834	1.1
213.11339	2.0
219.13806	2.3
220.61711	0.9
227.12907	3.5
235.13458	3.6
237.14920	6.6
238.15497	1.1
241.42567	1.2
249.14961	3.5
261.18558	5.8
281.17563	1.2
289.18042	5.0
307.19150	8.0
325.20218	100.0
326.13913	1.3
326.20526	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	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76256	0.8
57.03419	1.4
59.01382	4.9
62.27509	0.8
69.67383	3.6
71.05026	1.5
78.82963	0.9
95.05070	1.7
97.02950	12.0
97.06592	3.0
99.00881	11.6
100.51743	1.0
109.06606	2.5
110.03770	5.2
115.07669	1.3
123.08163	1.7
125.09722	8.4
134.06155	1.8
135.08197	2.7
136.05319	2.0
142.02754	2.5
151.11287	1.0
153.09187	1.3
163.11305	8.5
164.07179	1.6
181.12364	28.0
182.12778	1.8
197.11879	1.2
199.13383	2.5
207.10280	57.3
208.10635	3.1
209.11841	3.0
225.11333	100.0
226.11725	4.2
229.14455	1.4
243.12399	21.5
265.06387	1.3
289.17978	1.0
307.19174	7.4
311.11624	1.7
325.11832	2.1
325.20065	3.8
332.35257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80843	2.3
55.43906	2.0
57.03452	2.8
70.47613	4.9
71.01401	6.4
71.05033	4.0
81.03474	2.6
83.05014	5.1
84.02172	2.6
99.04508	2.9
99.08192	2.3
115.07648	4.1
125.09739	6.6
127.07687	16.1
135.08194	3.8
139.07637	4.3
153.09232	20.2
155.10789	4.6
158.99718	2.1
163.11365	3.1
169.10228	2.3
170.77167	2.0
171.10286	21.4
178.09943	2.6
184.21338	1.9
185.11914	20.0
191.14464	3.0
197.11852	21.8
198.02260	2.2
209.11858	79.3
210.12138	3.3
238.12148	5.9
250.42073	2.2
256.13278	2.6
289.18198	10.8
307.19183	100.0
308.19437	7.2
325.20264	35.9
326.20560	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.7
58.00597	4.6
59.01383	2.8
70.72565	2.0
80.02692	1.9
97.06585	3.5
109.31760	1.7
110.03731	2.0
111.08171	31.5
123.08166	3.5
125.09737	39.9
127.11285	15.7
137.09740	9.2
139.11336	2.9
141.09244	2.2
151.11304	4.7
153.09175	6.6
155.10793	7.8
161.51338	1.7
164.08466	3.5
165.09229	5.9
167.10818	2.4
169.08646	1.8
171.10289	22.9
177.09283	2.5
195.10289	4.8
199.09819	3.7
201.11353	98.4
202.11723	4.1
211.13383	3.0
213.11353	77.3
214.11717	3.8
245.19099	3.7
249.27910	1.7
250.12163	3.3
263.20206	1.8
289.14999	2.4
289.18134	28.6
290.18207	2.4
291.37955	1.6
305.48535	1.6
307.19174	51.4
308.19409	2.4
324.94089	1.8
325.20224	100.0
326.20633	5.6
333.41141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.2
58.00597	3.2
59.01388	2.0
70.48878	2.6
73.02956	9.0
73.16076	1.2
83.05038	1.7
95.05048	3.5
97.06604	12.4
108.50614	1.2
113.06119	3.5
115.07650	6.7
123.08161	7.3
125.09737	100.0
126.10080	3.2
127.07672	6.1
127.11295	4.5
141.09239	78.1
142.09517	2.3
151.11346	11.0
153.12881	11.7
155.10773	3.9
155.14439	1.6
165.09225	1.8
165.12892	2.0
169.08630	2.1
171.10286	4.5
181.12419	1.9
183.13919	2.1
187.09758	9.0
197.11815	16.3
198.17136	1.3
199.13416	13.7
201.11348	66.4
209.11876	3.0
215.12886	11.9
227.12927	38.4
228.13376	2.3
229.14453	37.7
230.14769	2.3
263.20248	9.0
267.19641	3.0
269.21216	1.7
281.21130	1.4
289.18057	2.5
297.20779	15.0
297.82086	1.4
298.21152	2.1
307.19159	29.4
308.19812	1.8
325.20285	19.1
326.20483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
58.00599	5.3
69.86681	4.6
80.28059	1.5
84.02171	3.0
95.05037	5.5
97.06576	3.9
99.08149	2.8
113.06098	9.4
115.07665	17.6
125.09726	5.6
127.07684	17.2
141.09315	3.3
151.11287	38.3
153.12862	25.7
155.14435	5.3
165.12798	2.1
169.12361	1.9
181.12354	3.7
183.13892	6.1
197.11842	46.3
198.12085	2.3
199.13429	25.6
201.11331	2.4
209.11920	8.7
215.12852	30.6
227.12906	85.6
228.13326	5.0
229.14439	100.0
230.14778	5.3
240.12608	1.6
245.18977	2.3
263.20181	6.0
269.21225	5.3
279.19662	3.5
281.21155	5.4
289.18137	5.0
297.20728	9.1
307.19205	26.0
308.19553	2.9
325.20203	36.1
326.20578	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2022
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.49117	0.7
57.03450	4.7
59.01372	2.3
62.58763	0.6
69.03455	0.8
71.01398	0.7
71.05020	2.4
73.02925	1.0
80.02686	5.6
81.03442	0.9
83.05031	2.2
84.02171	6.9
97.06609	8.8
99.08173	1.2
113.09769	1.0
115.07664	1.9
123.08173	5.2
125.09738	69.1
126.10101	2.2
127.11331	1.8
135.08127	1.3
137.09744	37.8
138.10057	1.4
149.09756	1.3
153.09241	3.1
155.10800	10.7
163.11308	2.0
164.08453	2.1
165.12840	1.2
167.10728	0.7
169.08719	2.3
171.10318	3.5
178.28371	0.7
187.09750	1.9
191.10608	1.0
199.09789	0.8
201.11345	0.8
209.11864	16.7
210.12155	1.3
227.12851	2.7
245.19118	1.0
250.12161	1.3
253.18143	1.8
263.20184	1.2
279.19778	3.7
281.21274	2.8
289.18137	7.2
307.19177	100.0
308.19571	7.4
325.20233	17.9
326.20493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2025
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
50.78341	1.2
54.68348	1.2
57.03455	4.8
57.06518	1.2
59.01376	3.4
69.83097	3.8
71.05023	3.6
80.02667	5.1
83.05022	2.7
84.02166	6.0
97.06609	8.6
99.08176	1.9
113.09750	1.9
123.08157	5.7
125.09733	68.4
126.10116	2.0
127.11288	2.8
137.09737	42.1
139.11237	2.4
141.09258	1.8
142.62939	1.4
153.09254	2.2
154.70996	1.3
155.10815	11.8
164.08452	2.4
165.12843	2.8
167.14438	3.6
169.08701	2.0
171.10292	5.2
181.12480	1.5
183.01254	1.3
187.09749	2.0
193.15935	1.2
199.09750	2.1
201.11333	2.1
209.11830	17.8
215.12897	4.0
223.17073	3.1
225.05460	1.6
227.12833	2.3
249.18590	4.5
253.18039	2.6
275.16373	1.4
279.19653	3.0
281.21222	6.4
289.18042	7.0
290.26364	1.6
293.17444	1.6
307.19165	100.0
308.19452	6.6
311.11838	1.7
325.20084	18.5
325.23849	5.9
326.13940	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
52.06400	0.3
70.42636	0.3
79.95742	0.3
98.21908	1.0
103.15377	0.3
119.04950	0.3
133.06578	0.4
147.08102	0.4
149.09726	91.3
150.10065	4.4
163.11296	100.0
164.11638	4.4
179.55235	0.3
183.01208	10.2
184.01868	1.0
197.02682	0.4
265.25357	0.3
281.28561	0.4
325.18347	16.3
325.21735	96.0
325.27780	2.8
326.18646	1.5
326.22083	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	326.022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
61.98830	1.4
67.48270	0.6
69.63771	2.7
72.99289	0.7
73.02946	0.9
85.02957	1.4
89.02427	0.8
109.71282	0.6
112.95764	0.8
113.02480	0.8
126.90405	1.6
140.02052	3.4
168.91478	3.2
181.95403	0.8
184.01036	100.0
185.01190	6.8
267.01212	0.6
326.02188	1.0
327.09271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74495	0.9
58.04524	0.8
59.01382	13.7
60.01706	1.7
60.25910	0.8
69.67122	1.4
69.67487	3.8
71.01372	2.5
75.00851	1.0
101.02477	1.4
107.03666	1.8
107.94087	0.9
126.90383	4.9
128.03502	1.5
132.98193	1.6
134.04745	100.0
134.51038	1.1
135.04085	2.7
135.05103	1.2
144.04558	1.3
145.09804	0.9
146.02501	28.1
146.03665	1.6
162.05634	7.5
165.05562	1.5
165.76924	0.8
168.91426	15.8
193.04944	1.3
194.05502	2.6
202.78394	0.9
229.22974	0.9
234.32295	0.9
252.59558	0.9
266.08981	1.8
293.77362	1.1
326.17490	1.6
327.08746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	68.9
69.69916	43.4
69.70303	43.8
75.00901	23.5
89.77345	18.5
109.02979	22.7
121.03001	45.0
122.03275	18.4
122.76671	19.4
126.90393	32.6
149.02457	66.1
150.03227	76.0
164.01254	25.7
164.04829	34.2
165.01892	33.7
165.04063	66.1
165.05563	100.0
168.91452	92.0
199.39610	23.3
212.76729	19.1
248.59149	24.5
251.10275	18.7
264.03674	18.4
327.08508	65.4
339.92688	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	327.0875
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
62.36002	0.7
63.33328	0.6
63.87824	0.7
88.85762	0.7
93.03464	38.7
94.03831	1.1
96.99323	9.2
98.21886	1.5
106.04263	0.9
106.80434	0.7
117.03473	2.8
119.05032	31.4
120.05320	0.7
123.04517	3.0
130.04265	3.2
131.05038	11.8
132.05775	0.7
133.02968	7.3
143.05032	30.2
144.05377	1.3
145.02939	3.4
145.06635	1.6
147.04581	1.4
152.75052	0.7
159.04527	1.1
163.04025	15.0
171.04500	3.6
210.06862	0.8
211.07654	9.9
212.07867	0.8
219.08177	1.1
221.06242	0.6
221.09718	1.9
223.07634	2.2
235.07651	6.4
237.09251	11.2
239.10809	1.3
247.07643	1.6
263.07251	0.9
264.07840	0.9
265.08707	29.0
266.09006	2.8
283.09866	2.1
309.07651	7.3
327.08743	100.0
328.09076	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02302	15.7
59.01394	22.9
69.16632	84.3
106.94092	14.6
109.77515	16.3
291.19702	100.0
297.04001	27.8
327.08792	18.8
327.21793	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
54.56089	1.4
56.15209	1.4
57.03453	5.6
58.00609	2.2
60.04562	1.5
69.03471	1.8
73.02953	3.2
83.31687	1.5
85.05432	1.4
87.62010	1.6
97.06584	13.1
98.21912	6.0
115.07659	22.2
118.24451	1.3
123.08200	9.2
125.09733	100.0
126.10073	5.1
127.11311	5.6
129.09236	2.9
137.09747	1.6
139.11250	2.1
143.10786	95.8
144.11133	5.4
153.12851	8.4
155.10802	12.0
157.12350	8.2
165.09277	1.7
169.08736	3.1
171.10268	21.0
183.13921	3.2
185.11803	2.3
187.09793	12.7
197.11856	14.8
199.13409	5.1
201.11349	72.2
201.74297	1.8
202.11713	3.5
211.13446	2.0
215.12834	10.8
227.12856	10.1
229.14485	16.5
230.14825	1.9
265.21829	7.3
269.21274	3.6
291.19574	4.8
297.03879	1.9
299.22263	13.8
309.20743	32.6
327.08939	1.8
327.15869	2.8
327.21805	47.3
327.25607	3.1
328.22079	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.29414	0.5
58.00599	0.9
59.01361	0.6
69.10495	3.5
70.20276	0.4
73.02975	0.4
86.82667	0.5
91.39960	0.6
92.64256	0.4
97.06595	2.0
115.07667	10.7
129.09209	1.5
151.11333	0.7
153.09271	0.5
153.12888	6.4
155.10800	1.6
155.14449	5.4
165.12802	0.6
171.10300	2.8
181.12311	0.7
183.13904	6.2
185.15436	0.5
193.12236	0.6
197.11835	5.2
199.13443	8.1
200.13771	0.6
209.11717	0.9
211.13458	4.0
215.12904	5.8
227.12918	9.6
229.14465	100.0
230.14806	5.0
240.33423	0.5
265.21613	1.0
291.19666	2.3
297.04010	0.6
299.22165	1.2
309.20767	10.8
310.21039	1.0
327.21783	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03441	2.1
59.01379	1.2
59.08348	0.6
60.10461	0.6
66.68188	0.6
69.03468	1.8
69.91658	0.8
69.92010	1.9
71.01385	1.4
81.03461	0.7
83.05024	2.7
85.02956	8.1
88.65239	0.6
95.05014	1.2
97.02948	0.9
97.06594	5.0
98.21929	1.2
105.80772	0.6
109.06577	0.8
111.08148	0.8
119.78584	0.6
123.08182	0.7
125.09726	1.7
127.11269	1.7
130.08722	1.2
137.09738	2.0
142.04143	0.6
155.14409	0.9
165.12877	1.4
167.14456	1.1
171.10295	17.4
172.10677	1.1
177.12900	1.1
183.13892	3.0
184.14113	0.8
185.11885	1.2
193.12320	0.8
203.10593	0.8
205.86980	0.6
209.11871	2.1
211.13409	21.3
212.13786	1.0
221.11833	3.6
229.14458	15.2
239.12886	2.4
257.13760	0.8
257.47092	0.7
291.19672	4.1
309.20770	2.2
315.59189	0.7
327.08771	1.7
327.21786	100.0
328.22147	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03439	2.1
59.01373	0.6
69.03452	1.8
71.01386	0.9
71.87859	0.6
78.93738	0.6
83.05023	0.9
85.02966	8.1
95.05002	1.0
97.02999	0.6
97.06594	5.5
98.21906	1.5
106.04279	0.6
110.03725	0.6
122.79459	0.6
123.08154	0.6
125.09722	1.3
127.11308	2.0
137.09766	1.4
147.29543	0.6
155.10776	0.7
155.14455	1.0
165.12920	1.4
171.10274	17.0
171.11646	1.1
177.12856	1.3
183.13898	5.1
185.11784	0.9
193.12355	2.2
195.13910	0.8
199.13290	0.8
201.11310	0.8
203.10707	0.6
209.11888	2.1
211.13411	27.9
212.13812	1.5
221.11887	2.5
229.14442	16.4
230.14857	1.1
239.12900	2.7
291.19675	3.2
309.20667	1.7
323.09763	0.6
327.21793	100.0
328.22159	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03445	5.7
69.03461	6.4
84.02183	0.8
85.02962	26.3
95.20286	0.8
97.02956	2.8
97.06612	0.9
119.08685	1.7
125.09750	1.6
127.11319	1.8
137.09732	6.4
138.77057	0.7
155.10849	1.1
164.61742	0.7
171.10283	52.2
172.10605	2.0
183.13943	0.9
201.11311	1.8
211.13409	4.6
221.11890	1.4
229.14450	3.2
279.43210	0.8
289.06451	0.7
291.19653	2.0
309.20892	1.4
327.21786	100.0
328.22141	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	327.218
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03449	7.6
58.00609	1.9
59.01372	1.6
69.65879	1.2
69.66264	1.7
71.01392	1.1
73.02958	1.4
83.05017	1.0
87.04519	0.8
90.76823	0.7
90.89697	0.6
97.06595	2.0
98.03758	0.9
113.09736	20.2
115.07693	1.1
123.08186	1.0
125.09731	8.5
127.11311	10.8
137.09764	2.7
139.11307	1.7
141.09218	2.9
147.96536	0.7
151.11275	3.1
153.09216	1.5
155.10791	14.6
156.11128	0.8
165.09253	3.5
169.12344	0.9
171.10292	17.4
183.10283	1.4
185.11850	1.6
190.15779	0.6
192.99190	0.6
195.10336	3.1
197.11852	1.5
199.09807	2.8
201.11340	69.0
202.11726	2.7
213.11337	39.1
214.11707	1.8
227.13013	1.1
247.20779	1.2
257.14047	0.7
291.19687	6.3
292.20200	0.8
309.20743	17.8
310.21066	1.6
327.21799	100.0
328.22131	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	327.2179
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.19557	1.0
57.03447	1.5
57.92424	1.1
59.23367	1.2
70.47493	2.3
71.01397	1.4
71.05031	1.6
73.02945	4.4
79.27712	1.1
81.92261	0.9
85.02979	1.1
97.06590	2.6
99.08164	2.7
101.26262	1.1
112.05315	4.1
113.09733	1.8
115.07696	1.6
125.09744	2.1
127.11312	3.0
129.09222	24.1
139.11418	1.3
141.09222	6.5
141.12828	1.6
142.56381	1.1
155.10805	37.8
156.11121	1.1
160.54025	1.2
165.12857	1.2
171.10301	31.8
172.10638	1.5
181.12381	1.1
185.11862	28.3
186.12169	1.8
197.11853	25.1
198.12280	1.9
201.11320	6.4
202.24869	1.0
209.11819	4.3
211.13474	1.5
213.11327	3.4
223.15079	1.1
247.20740	1.8
257.14032	1.0
291.19693	10.8
292.20065	1.4
299.22595	1.7
309.20782	28.2
310.21124	2.3
327.21802	100.0
328.22083	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2542
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.42753	0.9
64.19874	0.9
70.22888	2.6
81.69466	0.8
96.60948	0.8
98.22584	1.0
113.80801	0.9
130.52847	0.9
138.88402	0.8
196.59145	1.0
263.23834	1.0
265.25369	68.2
266.25665	5.4
280.27988	0.9
283.26508	1.6
309.24368	23.2
310.24680	1.8
327.25409	100.0
328.25723	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
54.43124	1.1
65.87347	1.1
70.64542	2.1
75.85947	1.0
94.90336	1.3
94.90961	1.3
101.71089	1.1
140.86043	1.1
152.71617	1.1
180.36324	1.2
185.00848	1.4
263.77719	1.2
281.28534	2.9
327.18726	6.9
327.29062	100.0
328.29382	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	327.2905
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01385	100.0
69.77099	1.8
71.42332	2.1
71.92599	2.0
85.47258	1.8
85.92973	1.8
103.89614	1.7
117.67694	2.0
148.47556	2.1
173.11922	1.9
255.70815	2.1
314.18369	1.9
327.29044	65.4
328.29434	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	329.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.9
61.98836	6.5
69.69775	2.1
76.85023	0.6
113.10826	0.5
115.02524	1.9
117.00445	7.7
118.00571	0.8
126.98901	0.8
142.99471	0.9
143.02007	3.7
144.99995	0.6
157.03564	1.5
159.01512	66.4
160.01619	4.3
168.99892	2.5
170.88330	0.8
170.91113	1.0
170.97887	9.7
171.01472	1.5
184.01053	1.5
185.01208	4.9
186.00737	5.5
186.98592	9.1
187.01006	100.0
187.98770	1.1
188.00807	8.5
201.02563	13.0
202.02750	1.1
232.98441	1.3
274.99399	3.4
287.01205	0.6
328.96902	1.8
329.02048	1.8
337.60846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0825
Annotation	8-(3-Chlorostyryl)caffeine
Peak:m/z	Relative Intensity
52.43348	1.0
54.56254	1.1
54.88819	1.1
59.01385	11.1
67.53168	1.0
69.61684	5.1
71.01394	6.1
73.02962	1.2
85.02962	2.2
88.04028	1.3
89.02436	3.7
93.03455	3.5
95.05016	1.2
98.21965	1.3
101.02462	3.4
107.59214	1.1
108.02202	11.4
109.02974	41.4
111.63260	1.3
121.02982	12.9
122.06098	2.1
123.04539	17.5
128.90059	1.7
135.04568	1.5
139.04050	5.9
147.67570	1.1
149.02475	10.3
150.05690	1.9
151.04016	8.7
152.01199	9.6
153.87840	1.2
164.38783	1.1
164.40346	1.0
165.01926	3.1
166.02783	7.0
167.03516	46.3
168.03897	1.9
170.88329	1.8
170.91153	6.9
268.43146	1.2
312.10907	1.6
328.88266	1.8
329.08804	100.0
330.09122	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	329.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43348	1.0
54.56254	1.1
54.88819	1.1
59.01385	11.1
67.53168	1.0
69.61684	5.1
71.01394	6.1
73.02962	1.2
85.02962	2.2
88.04028	1.3
89.02436	3.7
93.03455	3.5
95.05016	1.2
98.21965	1.3
101.02462	3.4
107.59214	1.1
108.02202	11.4
109.02974	41.4
111.63260	1.3
121.02982	12.9
122.06098	2.1
123.04539	17.5
128.90059	1.7
135.04568	1.5
139.04050	5.9
147.67570	1.1
149.02475	10.3
150.05690	1.9
151.04016	8.7
152.01199	9.6
153.87840	1.2
164.38783	1.1
164.40346	1.0
165.01926	3.1
166.02783	7.0
167.03516	46.3
168.03897	1.9
170.88329	1.8
170.91153	6.9
268.43146	1.2
312.10907	1.6
328.88266	1.8
329.08804	100.0
330.09122	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	329.0881
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.99909	0.5
59.01378	7.0
69.92892	1.3
69.93263	1.2
71.01386	10.5
71.33579	0.5
73.02954	2.6
80.93168	0.6
83.01405	0.9
85.02956	3.9
86.00098	0.6
87.00893	2.7
89.02449	2.0
99.00912	1.0
101.02438	5.4
108.01552	0.5
108.02170	3.2
108.93736	0.7
109.02969	2.0
111.00885	1.3
113.02459	4.3
117.00434	0.7
118.79642	0.5
121.02988	3.4
121.05315	0.9
122.03753	100.0
122.06116	5.1
123.04570	18.6
124.04855	0.8
128.90060	2.7
134.05997	0.6
135.04543	3.4
136.07704	1.8
137.06084	1.7
143.03496	0.8
147.04584	1.1
149.02464	1.3
149.06107	1.1
150.05621	12.0
151.04099	0.7
152.01187	0.6
152.07274	0.7
153.05611	0.6
159.02927	1.5
161.04558	9.0
165.05582	5.5
167.03549	7.8
169.05118	0.6
170.88329	0.9
170.91142	4.4
170.97874	1.2
171.01576	0.7
174.99185	0.6
176.07172	0.6
177.05574	1.9
181.50316	0.6
194.08305	0.8
196.96906	0.8
211.00961	1.6
214.97874	0.5
220.69240	0.5
222.07816	0.8
236.98972	1.1
256.87042	0.6
268.95395	2.0
269.02979	0.6
274.99487	0.7
285.09772	1.9
286.87125	0.7
312.10892	5.6
328.87558	0.6
329.08755	7.3
329.17834	0.8
330.12122	2.6
339.88019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.87104	0.5
59.01387	1.2
66.01268	0.5
69.70456	1.9
71.01383	0.9
85.02964	0.6
88.04016	0.6
102.95149	0.4
108.02184	66.0
109.02493	1.1
113.15269	0.6
115.52084	0.5
123.04540	27.5
124.04899	1.0
127.66527	0.6
152.01166	42.9
153.01479	1.4
167.03508	100.0
168.03836	3.2
170.91087	1.1
329.08734	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	329.0879
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01386	7.5
69.81588	2.2
71.01382	3.5
85.02938	1.3
87.00874	1.3
88.04054	1.3
89.02466	2.2
89.81135	0.7
93.03458	2.7
98.21871	0.7
101.02444	2.6
108.02185	12.8
109.02964	43.3
110.03309	1.6
119.03538	0.7
121.02963	8.7
123.04542	16.0
128.10365	0.7
132.33774	0.7
135.04527	1.1
136.01659	1.0
139.03990	5.1
149.02478	8.8
150.03195	0.8
151.04012	6.5
152.01167	6.4
165.01904	2.1
166.02742	8.7
167.03514	44.3
168.03867	2.2
170.91188	1.5
179.03476	0.9
196.49323	0.6
329.08807	100.0
330.09210	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	329.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52256	4.5
59.01389	43.1
69.61781	17.0
71.01385	45.3
73.02950	10.2
85.02967	13.7
87.00886	14.8
87.05657	7.1
88.04060	12.1
89.02451	14.8
90.16674	4.1
98.22571	7.8
101.02452	20.2
106.98601	3.9
108.02179	16.8
108.67194	4.3
109.02962	9.6
111.00905	14.6
113.02467	21.1
116.25813	3.9
119.03506	6.2
121.02968	11.1
122.03757	100.0
122.06104	21.9
123.04541	89.6
127.05135	9.8
127.97088	5.2
128.90065	20.3
134.06171	4.9
136.07721	14.5
139.04079	4.7
149.02444	6.6
150.05623	74.0
151.03937	5.9
152.01180	9.6
152.07204	4.8
152.91779	5.1
161.04556	19.4
165.05476	5.0
167.02136	6.4
167.03528	91.8
169.01370	4.2
170.88380	14.2
170.91133	75.5
170.97852	9.1
174.99371	4.5
179.26096	4.6
211.00974	28.4
224.31558	4.9
236.98921	6.5
244.85849	8.0
286.86920	15.1
293.00269	8.0
312.10800	26.9
328.87708	9.8
329.08765	22.2
329.18320	15.9
330.11819	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	329.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	53.4
61.98844	18.2
69.66324	29.8
71.01390	23.4
81.03532	5.9
87.00906	9.7
89.02438	14.6
95.01427	6.6
101.02484	11.3
108.02188	17.0
109.02980	16.5
111.00911	18.4
111.04494	11.3
117.00481	6.7
120.13470	7.2
121.02975	13.1
122.03756	15.4
122.06132	16.9
123.04550	31.4
128.90089	20.7
144.35776	6.8
149.02423	15.0
150.05626	60.8
150.89473	7.4
151.04031	9.7
152.01189	8.9
152.91772	8.0
155.16544	7.6
158.12123	7.6
166.02654	7.5
167.03502	47.4
170.88402	23.8
170.91148	100.0
170.97821	9.5
174.99165	8.4
192.99852	7.7
209.04691	7.7
211.00960	48.9
222.66173	6.8
236.98949	18.8
244.86035	16.2
286.86917	14.7
312.11041	23.2
328.87912	16.9
329.08655	40.7
330.12048	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	329.1032
Annotation	69616-74-6
Peak:m/z	Relative Intensity
65.00327	1.7
67.01897	1.0
69.15961	2.7
69.16370	0.8
83.01389	1.7
92.99821	0.6
93.03472	9.9
95.01413	0.9
98.22707	1.0
110.00132	0.6
111.00893	41.4
112.01216	1.4
124.01649	3.3
125.02462	0.6
133.06598	10.4
136.98808	2.3
139.00388	100.0
140.00687	3.7
147.04561	0.8
149.02397	1.5
151.00397	1.0
154.02734	57.5
155.03104	1.9
160.42543	0.5
164.98291	9.4
165.01953	2.0
165.98952	1.1
166.23929	0.5
166.99890	2.0
169.05077	66.6
170.05399	3.1
180.00668	2.4
180.08949	0.6
181.06644	0.5
185.06154	0.6
192.00644	1.8
193.01433	33.7
194.01826	1.3
195.03079	0.7
198.93001	0.5
199.07666	0.9
205.01430	1.0
207.03036	1.6
208.03781	20.5
209.06091	0.7
213.05563	0.6
215.93607	0.7
221.15506	0.9
223.06131	22.1
224.06418	1.3
235.06161	0.7
237.05539	0.8
253.05238	0.9
255.06618	1.1
271.06100	1.1
281.04532	2.0
282.81067	0.6
299.05630	45.5
300.05945	4.6
300.13763	0.7
314.08002	27.7
315.08246	1.5
329.10327	32.3
329.23337	1.9
330.10654	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	329.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90793	1.0
59.01380	3.5
75.83326	1.0
83.56501	1.3
86.01889	1.0
87.36927	1.0
91.25425	1.1
93.03468	1.9
94.57579	1.2
105.12916	1.2
106.83286	1.2
109.02962	2.6
121.02971	27.8
135.04538	2.6
144.49794	1.1
147.04532	9.1
149.02470	1.8
159.04483	3.4
160.05446	1.2
167.03465	1.2
192.07951	1.3
212.04779	4.6
223.07637	2.0
226.06485	2.1
240.04311	5.1
241.08633	2.4
243.10210	2.5
251.07187	2.5
253.05038	1.9
253.08675	2.2
254.05876	8.2
267.06537	1.2
268.07346	1.7
269.08228	66.5
270.08566	3.9
271.09787	6.3
281.08228	13.4
282.08710	2.0
283.09772	3.7
298.08499	1.8
299.09274	50.9
300.09525	4.4
313.10788	2.2
314.07861	2.6
314.11621	70.8
315.11996	7.3
329.13968	100.0
330.14322	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	329.1397
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.90793	1.0
59.01380	3.5
75.83326	1.0
83.56501	1.3
86.01889	1.0
87.36927	1.0
91.25425	1.1
93.03468	1.9
94.57579	1.2
105.12916	1.2
106.83286	1.2
109.02962	2.6
121.02971	27.8
135.04538	2.6
144.49794	1.1
147.04532	9.1
149.02470	1.8
159.04483	3.4
160.05446	1.2
167.03465	1.2
192.07951	1.3
212.04779	4.6
223.07637	2.0
226.06485	2.1
240.04311	5.1
241.08633	2.4
243.10210	2.5
251.07187	2.5
253.05038	1.9
253.08675	2.2
254.05876	8.2
267.06537	1.2
268.07346	1.7
269.08228	66.5
270.08566	3.9
271.09787	6.3
281.08228	13.4
282.08710	2.0
283.09772	3.7
298.08499	1.8
299.09274	50.9
300.09525	4.4
313.10788	2.2
314.07861	2.6
314.11621	70.8
315.11996	7.3
329.13968	100.0
330.14322	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	329.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99369	0.1
64.99419	0.1
65.99853	0.2
66.03482	0.1
67.01884	0.3
69.13203	0.6
75.04672	0.1
90.03501	0.3
92.01431	0.2
93.02227	0.4
93.03448	0.3
94.03011	0.4
108.04569	0.6
118.03000	100.0
120.00931	0.3
121.01664	0.6
122.02453	0.1
123.08189	0.2
134.02504	0.1
136.04050	8.2
139.00453	0.1
148.00420	8.3
150.05603	0.1
152.03549	2.6
157.02917	0.1
163.02763	0.6
165.00687	4.7
168.04573	0.2
177.06683	0.2
180.03035	32.4
194.04605	0.3
195.05377	25.0
196.04042	0.7
210.05725	0.2
210.07794	0.3
215.07059	0.1
217.08708	0.3
222.05629	0.1
224.03542	3.1
229.08775	0.3
230.09511	0.7
238.05090	0.2
239.05920	1.1
243.10336	0.1
246.08842	0.1
254.08267	0.6
255.05359	0.1
256.06134	0.2
268.02530	3.7
269.03207	0.7
271.13251	0.5
282.03958	0.2
283.04877	16.2
284.05704	0.7
285.15076	0.5
286.15854	0.2
298.07214	82.4
300.05154	4.2
301.18082	0.6
311.16397	0.1
313.14420	0.2
315.07498	6.1
329.17596	21.2
330.09836	19.1
330.17889	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	329.1768
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.50340	0.4
59.01364	0.4
69.19835	2.5
77.18500	0.4
136.42278	0.4
157.84346	0.4
170.88344	0.4
235.06903	0.5
243.06734	0.5
257.08221	1.2
258.08890	1.4
271.09741	1.8
285.11316	0.9
286.12256	1.0
297.14987	1.8
299.12885	3.0
313.14484	7.7
314.15274	100.0
315.15533	8.8
329.17618	83.4
330.17953	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	329.2338
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03451	0.8
69.03461	1.2
75.04958	0.6
83.05053	0.6
85.02955	0.7
99.08171	6.7
125.09779	1.2
127.11324	4.7
137.09663	0.6
139.11330	6.2
155.10756	0.7
155.14476	1.0
165.12852	0.9
167.14389	0.9
171.10289	11.3
180.03133	1.1
183.13892	6.1
185.11844	0.7
193.12402	2.1
201.74214	0.6
209.11899	1.3
211.11397	1.4
211.13429	29.4
212.13773	2.1
222.31184	0.6
229.14490	17.1
230.14853	1.2
264.43683	0.6
293.21384	0.8
311.22235	0.9
329.23370	100.0
330.23715	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	330.062
Annotation	Unknow
Peak:m/z	Relative Intensity
64.93266	0.7
65.99849	4.1
68.99802	2.9
82.30632	0.7
99.00880	1.2
101.02432	0.8
107.00099	0.8
118.03011	1.1
123.00864	3.1
134.99593	1.1
136.98836	1.1
144.02156	0.8
144.04568	7.1
150.01964	2.4
155.03777	5.4
155.04858	1.0
156.02191	1.3
159.03365	0.8
171.03300	3.8
174.05594	3.0
178.01494	2.1
180.03101	1.6
182.02345	0.8
183.03268	9.1
184.01697	7.7
186.01961	1.4
186.05713	1.0
198.05623	3.0
199.02773	7.1
200.01178	0.9
200.03499	1.3
202.05072	1.3
210.01991	2.6
210.04041	18.3
211.02710	12.6
211.04552	0.8
212.01166	8.4
212.03177	1.9
214.05118	1.9
215.02260	3.5
226.01486	2.1
226.05014	5.0
227.02184	23.5
228.02725	1.3
229.03818	2.0
230.04584	3.2
238.01526	5.3
239.02222	13.7
240.00607	0.9
240.02768	1.1
242.04689	4.1
254.00879	4.9
254.04643	3.6
255.01837	7.3
266.00958	2.5
269.03275	0.9
270.04080	3.9
271.01031	0.9
283.01208	31.8
284.01712	1.2
298.03583	100.0
299.03894	8.8
316.04654	1.5
329.23404	1.5
330.06158	11.9
330.09805	1.3
330.23938	1.3
331.06464	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45572	0.9
65.00317	2.3
65.99854	11.2
66.17620	0.7
68.62952	0.8
68.64896	0.8
68.99818	6.6
69.46262	3.0
78.63454	0.7
98.22664	1.3
99.00879	5.2
101.02428	2.2
116.02699	1.3
123.31871	0.8
126.82111	0.7
131.05017	1.3
136.98779	2.5
140.01144	1.2
142.02959	1.2
155.03748	3.4
156.02142	1.0
159.03256	22.2
160.01649	1.1
160.03578	1.2
169.01483	1.4
170.02559	1.5
171.03262	10.5
171.04597	1.3
174.05608	21.5
175.02692	0.9
175.04042	1.7
175.05833	0.9
176.03511	1.2
177.05525	1.4
183.03259	43.9
184.01654	3.3
184.03682	2.8
186.01950	1.9
186.05609	2.7
187.02736	9.7
198.05612	23.1
199.02713	9.3
199.04044	0.9
199.05852	1.6
200.03459	1.4
202.05106	7.2
211.02753	49.3
212.01146	7.3
212.03189	4.2
214.01564	1.5
215.02243	31.8
216.02647	1.8
220.06123	0.9
226.01566	1.2
226.05096	19.2
227.02234	19.0
227.03798	6.6
230.04567	17.7
238.01488	0.9
239.02251	29.2
240.02754	1.9
242.04607	13.3
243.05113	1.0
244.06157	3.2
254.04547	12.6
255.01572	5.3
256.02414	1.8
257.03204	1.5
269.03317	3.6
270.04089	9.9
271.04663	2.4
272.05670	1.5
283.01236	5.9
284.05737	2.6
297.02878	5.4
298.03577	100.0
299.03940	7.3
312.05222	6.0
316.04663	6.8
316.67453	0.8
330.06192	68.3
331.06531	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	330.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43295	0.2
63.35291	0.3
64.47558	0.2
67.01879	0.2
69.84812	0.7
69.85175	0.6
90.03511	0.5
93.02225	0.5
93.03475	0.3
94.02984	0.3
100.98563	0.3
108.04568	0.8
118.03003	100.0
119.03333	2.4
120.01015	0.3
121.01711	0.6
136.04050	9.4
137.31728	0.2
148.00429	8.8
149.00883	0.4
152.03558	3.1
163.02708	0.4
165.00693	5.3
180.03041	32.3
181.03362	1.3
195.05383	25.1
196.04079	0.8
196.05759	0.7
210.05757	0.4
210.07677	0.3
224.03516	2.8
239.05962	1.1
254.08159	0.4
268.02536	3.6
269.03427	0.6
283.04892	16.0
284.05405	1.7
298.07224	80.6
299.07556	5.8
300.05188	3.7
315.07513	5.8
316.07843	0.3
329.17404	0.4
330.09845	20.7
330.17868	1.5
331.10052	1.6
331.18945	0.4
337.60144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01377	0.9
69.53016	2.0
71.01385	2.1
73.02943	0.6
82.00607	1.5
84.00927	2.3
85.02964	2.0
89.02470	0.7
93.14624	0.5
101.02467	1.2
107.36611	0.5
110.00098	6.5
111.00859	0.6
113.02451	2.7
114.02727	0.5
119.11874	0.4
123.00926	0.6
123.04502	1.2
125.02462	6.6
131.03545	0.6
137.02446	0.7
137.99602	8.8
138.03214	0.6
139.00374	2.3
140.01167	1.1
151.00378	0.4
151.04022	1.3
151.98146	1.5
152.01170	3.4
153.01953	100.0
154.02435	4.0
155.03513	2.6
161.02417	0.5
161.04565	0.9
166.02701	1.3
167.03506	10.2
168.04294	49.2
169.05058	8.5
179.03528	1.0
188.08098	0.5
191.03491	0.5
194.02312	0.5
196.03810	0.6
198.01694	0.6
209.04613	0.6
211.07339	0.5
211.48712	0.5
240.23535	0.5
331.06885	0.8
331.10352	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	331.1037
Annotation	Unedoside
Peak:m/z	Relative Intensity
59.01377	4.4
61.65993	0.8
62.09987	0.6
69.99370	1.1
69.99689	1.1
71.01390	4.3
75.58372	0.7
81.03468	1.1
83.01407	1.0
84.88966	0.7
85.02956	0.9
87.00882	2.9
89.02457	2.3
95.05014	0.9
98.21320	0.8
99.00848	1.2
101.02428	1.3
105.03473	1.7
108.02199	1.3
109.02951	7.0
110.02473	1.7
113.02466	0.9
119.03530	1.3
121.02927	0.9
122.03779	4.5
122.06139	1.6
123.04537	28.9
123.06465	1.7
124.04880	0.9
124.98783	0.9
125.02426	0.9
132.98122	1.6
133.02982	1.0
133.05080	1.0
136.07697	0.8
137.02498	0.9
140.51865	0.7
149.02454	1.5
150.03236	40.6
150.05603	4.2
151.04021	100.0
151.06003	3.5
152.04376	2.3
158.99756	2.3
173.01158	1.2
174.99283	2.2
182.99887	1.0
186.95590	1.1
193.05032	1.4
212.97136	1.0
214.94997	0.8
219.45370	0.7
226.98756	1.0
258.37262	0.6
313.09024	8.2
331.07092	0.9
331.12466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1399
Annotation	Trp-Ala-Gly
Peak:m/z	Relative Intensity
52.68130	1.0
57.03456	6.5
59.01385	53.6
69.03468	1.2
69.30492	3.3
69.30897	2.0
71.01389	24.4
72.99308	8.6
73.02942	2.1
81.04388	1.0
83.05028	1.3
85.02950	5.0
87.00884	1.1
89.02456	18.8
89.73574	1.1
93.07107	10.3
98.22699	2.0
101.02435	2.2
106.04305	1.1
109.06615	3.5
113.02448	2.3
119.03526	1.4
119.08681	28.9
121.17535	1.0
133.01714	2.0
134.02496	30.8
135.08189	8.7
149.01198	2.0
149.02411	2.5
149.04633	1.8
153.09259	1.5
163.07661	10.2
176.04054	1.2
181.08722	25.0
191.05573	5.4
199.09781	85.5
200.10147	4.2
240.03143	1.2
241.03912	6.8
241.10847	1.1
242.02281	2.0
285.02768	3.5
300.05179	9.4
331.14038	100.0
332.07724	3.9
332.14380	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	331.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91504	0.5
51.44535	0.4
53.67263	0.5
54.19061	0.5
69.03464	7.1
71.01391	1.3
83.09113	0.5
84.46899	0.5
97.02957	31.8
98.03266	0.9
99.98339	0.5
111.04502	1.0
125.06075	1.7
127.07705	0.5
134.02478	4.5
140.47270	0.5
152.00905	0.5
168.04070	0.5
177.01788	0.6
178.02487	7.0
180.03017	0.6
191.03255	3.3
198.00819	0.6
210.01375	2.4
219.06395	4.1
223.13121	1.0
233.11560	1.3
234.08728	1.0
241.03770	1.0
261.11090	12.8
262.11862	100.0
263.12195	6.8
294.10941	3.0
300.05237	3.7
307.34286	0.5
313.17932	1.1
331.06921	1.3
331.18939	15.6
332.07645	1.3
332.19244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24392	1.6
59.01386	32.5
64.29863	1.6
68.41600	1.6
77.68874	1.8
81.00725	2.0
85.82873	1.6
110.64603	1.8
134.02502	15.6
134.33838	1.9
145.90681	1.6
164.46367	1.7
180.54903	1.6
181.03749	2.2
183.16277	1.6
205.19850	2.3
220.86604	1.7
241.03854	3.4
249.18617	100.0
250.18994	9.3
259.52689	1.7
300.05115	12.7
312.36136	2.2
330.38544	1.8
331.06683	2.8
331.19092	39.0
332.07648	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1917
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
52.84569	0.2
117.05403	0.2
127.17995	0.3
133.01691	0.6
134.02501	1.4
165.00745	0.4
180.02989	0.7
195.05334	0.4
241.03761	0.5
242.09521	0.3
258.00760	0.3
259.16943	0.5
270.16254	7.2
271.16696	0.8
272.14301	0.4
283.13461	1.4
284.02069	0.5
285.18631	4.3
287.17422	0.3
287.20132	1.9
297.15134	0.4
298.15759	38.3
299.16113	3.7
300.05118	1.2
312.17340	0.5
313.18100	5.7
314.18381	0.7
331.19162	100.0
332.07791	0.3
332.19498	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	331.1917
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
50.66037	0.4
55.34796	0.3
72.14436	0.4
88.02833	0.4
98.22665	1.5
119.59628	0.4
134.02492	3.0
180.02995	0.5
196.29037	0.4
241.03912	0.9
243.10188	0.6
245.08313	0.7
247.09871	0.5
250.11623	0.4
259.09778	8.8
260.10428	2.9
300.05273	2.1
301.14343	0.8
315.15961	4.4
316.16870	3.2
331.19168	100.0
332.07938	0.7
332.19482	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	331.2281
Annotation	Secochiliotrin methyl ester
Peak:m/z	Relative Intensity
50.29424	0.6
58.24773	0.7
60.94369	0.6
66.30036	0.5
69.93086	1.5
98.21928	1.1
133.01675	0.6
134.02531	3.3
136.76216	0.6
142.88324	0.7
149.21481	0.6
181.69417	0.7
208.04915	0.6
215.10532	0.8
228.11433	1.7
241.03767	0.8
284.17715	1.4
299.20172	100.0
300.05176	3.7
300.20514	10.9
301.21552	1.2
331.19135	1.1
331.22745	18.7
332.08087	0.7
332.23111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12579	0.6
51.88846	0.6
62.12400	0.5
65.99810	0.6
69.78725	1.6
76.07435	0.5
120.00931	1.2
121.01711	3.7
122.02508	4.8
133.01674	1.8
134.02484	14.8
146.50485	0.5
146.56012	0.5
148.04013	0.9
149.01176	7.4
150.01976	15.5
181.03751	0.6
182.03088	1.0
182.04597	9.6
183.04744	0.6
186.03151	0.8
198.03204	2.3
212.03531	4.6
213.04291	11.4
214.02676	1.5
214.04695	1.2
240.03030	1.5
241.03812	82.4
242.02087	1.9
242.04178	5.0
256.06033	1.8
257.03079	0.5
260.98300	0.5
285.02792	20.9
286.03146	2.0
300.05142	100.0
301.05460	7.5
332.07776	11.7
333.08130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50048	0.7
59.19321	0.8
69.61790	3.1
69.81195	0.8
91.01891	2.2
94.03006	1.0
98.49918	0.7
109.02953	1.6
122.02489	12.1
123.03255	3.0
133.01692	1.2
134.02495	100.0
135.00903	1.0
135.02844	3.1
135.06451	0.7
137.04855	1.6
149.01207	3.2
151.02785	8.9
166.01465	10.7
180.03055	4.3
180.74112	1.0
181.03833	31.9
196.06171	7.2
200.04227	0.9
212.03520	1.3
213.04362	1.2
216.38782	0.8
241.03851	6.8
242.02190	4.4
257.04300	1.3
285.02707	6.5
286.03500	1.2
299.04306	1.6
300.05164	62.9
301.05426	5.3
317.05435	2.1
331.46793	0.8
332.07776	53.3
333.08069	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	332.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17710	0.5
70.94759	0.8
118.19759	0.6
118.92809	0.5
122.02456	1.3
133.01712	2.5
134.02475	1.6
146.03725	0.5
150.01991	4.2
170.46211	0.6
182.04634	3.0
184.04030	1.5
185.04834	1.6
199.14032	0.5
212.03561	8.8
213.04333	15.9
214.04715	0.7
224.03586	1.2
240.03056	12.9
241.03821	100.0
242.02129	0.9
242.04205	6.1
285.02823	18.0
286.03058	1.7
300.05167	94.2
301.05460	5.1
329.35776	0.6
332.07797	13.2
333.08179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70345	0.3
69.03453	3.7
69.61377	0.3
69.84764	0.3
78.96818	0.3
79.01898	2.7
97.02942	1.7
98.22655	1.0
107.01398	1.8
108.02168	0.5
122.02493	4.6
123.03291	1.0
125.02443	1.0
129.93967	0.4
133.01703	7.2
134.02493	100.0
135.00896	1.3
135.02808	2.1
149.01173	1.3
150.01978	1.8
151.02757	2.5
166.01489	3.0
180.03006	1.0
181.03835	4.4
182.04572	1.0
184.03888	0.3
185.53471	0.3
196.06094	0.8
212.03534	1.4
213.04277	1.1
214.02719	2.3
240.03036	0.8
241.03836	9.6
242.02196	3.5
242.04388	0.6
256.06052	0.4
257.03149	0.5
285.02771	3.4
286.03488	0.6
300.05151	66.0
301.05460	3.0
317.05392	0.6
332.07764	17.4
333.07941	0.6
338.04883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
59.30115	0.3
65.99857	0.7
69.03471	1.3
71.01389	1.8
71.44611	0.4
79.01933	0.7
82.40585	0.3
85.02937	0.6
87.05617	0.4
89.02466	1.6
92.01449	0.5
92.94627	0.3
97.02970	0.5
97.69527	0.3
101.02442	0.6
104.98598	0.3
107.01375	0.9
108.02181	1.1
120.00932	0.9
121.01711	0.8
122.02462	0.7
125.02401	0.4
130.08742	1.7
131.03506	0.3
133.01709	8.1
134.02493	100.0
135.00891	0.9
135.02866	2.9
135.04497	0.6
145.02945	0.3
149.01199	5.6
149.02350	0.5
149.04561	0.3
150.02094	0.6
158.03787	1.7
160.01671	0.4
181.03773	0.8
182.04456	0.3
184.04024	0.7
185.04816	1.4
186.03262	1.3
191.05659	0.4
197.02541	0.4
197.04825	0.5
198.03238	0.6
201.04181	0.4
201.11383	0.5
212.03554	3.9
213.02206	0.5
213.04269	4.1
214.02731	2.4
222.98625	0.3
224.03456	0.5
228.02943	0.6
229.05115	0.8
240.03055	3.1
241.03809	24.4
242.02205	4.0
242.04279	1.1
256.06134	5.3
257.03314	0.6
257.06485	0.5
268.02396	0.3
285.02811	11.2
286.03177	0.6
300.05154	33.6
301.05450	2.5
317.05316	1.5
332.03787	0.7
332.07785	13.6
332.16592	0.9
333.08118	1.1
333.15570	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.4
65.99852	0.7
66.26145	0.4
69.03464	0.9
69.24037	2.3
76.28237	0.4
79.01864	0.5
80.37859	0.5
92.01439	0.5
93.14546	0.4
95.20894	0.4
97.02945	0.7
101.15170	0.4
107.01395	0.8
108.02200	0.8
117.85295	0.4
120.00929	1.0
121.01701	0.5
125.02538	0.5
133.01707	7.3
134.02493	100.0
135.00847	0.7
135.02834	2.9
140.91740	0.5
146.49715	0.4
149.01193	6.7
150.01912	0.6
157.05333	0.5
158.03792	2.3
169.00557	0.4
180.03101	0.5
181.03645	0.5
184.04135	0.9
185.04787	1.6
186.03220	1.3
197.02452	0.4
198.03325	0.8
212.03520	5.1
213.02202	0.8
213.04280	3.8
214.02762	2.0
214.04581	0.5
223.85028	0.4
224.03517	0.9
228.03033	0.4
229.05066	1.3
240.03011	2.7
241.03812	25.0
242.02144	5.1
242.04218	0.9
256.06152	5.2
257.03275	0.6
285.02826	12.8
286.03116	0.8
300.05157	35.0
301.05533	2.8
317.05292	0.8
332.07767	15.3
333.08151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
65.99847	0.9
69.03461	1.1
70.56153	1.0
71.01378	0.6
79.01883	0.6
85.02961	0.4
89.02441	0.5
93.03461	0.8
97.02950	0.6
107.01403	0.7
108.02195	0.7
120.00924	1.0
121.01713	0.7
122.02460	0.6
125.02433	0.6
133.01712	6.9
134.02493	100.0
135.00894	0.8
135.02846	3.3
135.04530	0.8
136.04059	0.6
139.04010	0.7
148.01700	0.8
149.01186	4.4
149.02455	2.6
150.01936	0.8
151.99159	0.4
158.03738	1.7
160.04045	0.7
161.02538	0.7
173.04497	0.6
176.04051	0.6
179.03493	0.8
181.03807	0.9
184.04031	0.6
185.04826	1.6
186.03247	1.1
191.05608	3.8
198.03177	0.5
200.11052	0.5
204.99527	0.4
212.03511	4.2
213.02164	0.6
213.04330	3.5
214.02748	2.3
224.03532	0.5
226.26877	0.4
228.02997	0.8
229.05035	1.2
240.03000	3.4
241.03824	24.2
242.02184	3.0
242.04292	1.0
243.02628	0.5
256.06177	5.8
257.03268	0.7
257.06430	0.5
269.35184	0.4
285.02811	11.9
300.01892	1.3
300.05139	31.6
301.05502	2.5
317.05334	1.4
332.03995	0.6
332.07748	13.6
333.08054	1.3
333.15527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99850	0.4
71.45161	0.2
81.02209	1.1
81.52643	0.3
82.02979	0.2
84.00338	0.2
85.02956	1.3
86.10977	0.2
90.47940	0.2
91.01897	0.7
101.79333	0.2
105.02214	0.5
108.02143	1.3
109.02975	0.8
121.01717	1.4
122.02529	1.0
123.00849	0.4
123.08175	2.0
125.51441	0.2
129.57599	0.3
133.01706	3.6
134.02492	100.0
135.00963	0.5
135.02846	2.7
138.05627	0.2
149.01192	33.1
150.01561	1.3
150.09267	3.2
150.95863	0.3
158.02628	0.3
158.03726	1.3
164.03552	0.7
166.01463	0.3
167.00325	0.2
181.03827	9.0
182.04138	0.4
185.04787	2.4
186.03239	3.6
189.02092	0.2
196.06139	1.3
197.04858	0.3
198.03203	1.9
199.02798	0.7
212.03535	2.7
213.02176	0.4
213.04306	2.4
214.02744	3.3
214.04710	0.3
215.03065	0.3
218.02290	0.2
220.13411	0.7
227.05879	0.3
239.02193	1.1
240.03027	2.4
241.01611	0.3
241.03795	8.2
242.02214	21.6
243.02588	1.2
256.06149	5.4
257.06479	0.3
258.04178	0.3
285.02802	14.0
286.03201	0.9
299.04468	1.5
300.05145	27.0
301.05466	2.4
314.06622	0.5
317.05460	4.9
318.05804	0.3
332.07776	43.6
332.14673	1.1
333.08105	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	332.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
59.60143	0.2
65.99860	0.3
66.03506	0.2
69.03461	3.5
69.10288	0.2
71.01405	0.2
71.95679	0.2
72.88441	0.2
79.01905	1.9
94.02959	0.3
97.02957	1.9
98.22624	0.5
107.01388	1.8
107.18140	0.2
108.02233	0.3
109.02956	0.3
121.02943	0.4
122.02490	3.8
122.03354	0.3
123.00903	0.2
123.03306	1.1
125.02454	1.3
133.01711	6.0
134.02493	100.0
135.00900	1.1
135.02850	3.2
137.04843	0.4
141.86813	0.2
149.01202	1.0
149.02336	0.3
150.02003	1.5
151.02776	2.6
163.99867	0.3
166.01460	2.9
180.03069	0.9
181.03822	4.9
182.04562	1.2
191.05666	0.2
196.06213	0.8
207.01817	0.3
212.03569	1.4
213.04266	0.9
214.02754	2.4
224.03734	0.2
240.03032	1.3
241.03813	9.4
242.02211	4.1
242.04366	0.5
253.20410	0.2
256.06097	0.6
257.03168	0.5
258.03854	0.3
284.02045	0.5
285.02798	3.6
286.03455	0.9
300.05148	69.4
301.05515	5.1
317.05371	0.7
332.07770	20.4
333.08023	1.4
333.15347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68619	0.4
59.01384	9.9
59.99522	0.5
69.33224	2.8
71.01385	5.0
73.02940	0.6
78.83231	0.5
83.01383	0.7
85.02957	1.7
87.00897	0.6
89.02455	5.2
96.08209	1.2
101.02451	3.3
103.42356	0.5
109.05392	0.6
109.06628	0.5
113.02436	2.0
119.03499	1.6
122.06138	1.0
123.03350	0.8
124.04038	0.6
124.07704	9.2
127.13034	0.5
131.03484	0.4
134.02487	2.5
137.04854	3.8
140.07193	1.4
143.77089	0.6
144.04639	0.6
152.07185	100.0
153.07532	3.9
161.04636	0.8
164.45586	0.6
169.52361	0.5
170.00949	0.6
170.08249	0.9
176.07101	0.6
189.81512	0.5
253.63519	0.6
290.55569	0.6
300.05112	2.5
332.08173	0.6
332.09668	0.7
332.13376	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	334.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46548	1.0
53.81066	1.0
55.01874	2.2
59.01382	26.3
59.73464	1.1
71.01019	1.7
71.01389	21.0
73.02951	4.8
75.52496	1.0
81.96339	0.9
83.01400	1.6
84.04552	3.8
84.96510	0.9
85.02965	5.4
87.00883	4.8
89.02448	16.3
96.74984	1.1
97.01719	2.5
98.02435	1.2
99.00839	2.0
101.02451	11.1
105.01962	1.5
111.00894	2.5
112.04057	100.0
113.02450	8.9
113.04402	2.2
119.03488	5.9
130.08719	2.2
131.03505	4.2
136.04051	34.0
143.03558	1.2
154.05029	1.8
154.99886	2.6
161.04536	5.1
166.73033	1.0
174.87323	1.1
179.05595	2.9
192.95868	5.6
221.06718	5.3
306.92194	1.1
323.11914	1.1
335.06540	1.1
335.10306	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	335.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
70.70362	25.5
71.01389	68.2
73.02945	18.4
89.02448	43.4
101.02439	48.5
113.02438	26.0
119.03474	19.0
132.68164	14.4
151.67113	15.4
161.04518	21.0
173.02237	15.0
173.08121	19.7
198.46431	14.2
204.78445	15.3
311.22095	13.8
335.13593	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05931	5.5
55.01877	11.5
59.01387	100.0
60.01721	7.1
67.01899	7.1
70.79154	9.3
71.01393	51.1
72.01732	6.6
73.02951	8.0
83.01384	8.2
85.02953	14.9
87.00890	9.9
89.02435	47.3
101.02459	28.4
108.93783	6.3
110.03673	5.9
111.00897	25.7
112.04055	85.9
112.98814	5.5
113.02465	17.7
113.04374	31.3
119.03500	17.1
123.00133	5.5
130.08755	24.9
136.04024	13.7
137.04402	16.1
154.05153	7.0
154.99887	53.8
176.98077	10.5
179.05563	6.0
192.95863	49.7
214.74709	5.6
220.00726	8.9
221.06769	5.6
231.49509	5.3
297.11862	5.4
335.06174	12.0
335.10321	69.9
335.13730	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	335.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	8.8
59.01387	100.0
69.63792	2.8
69.64134	9.2
71.01389	64.4
73.02945	4.9
83.01381	2.9
85.02969	12.8
87.00894	2.7
87.04497	2.9
89.02455	63.7
95.01381	3.7
99.04575	2.7
101.02462	28.0
111.08179	93.8
112.08477	3.8
113.02482	19.9
119.03516	28.1
131.03519	3.0
143.03467	4.8
148.04037	4.3
155.07166	87.8
161.04567	7.6
173.08246	3.4
179.05635	6.7
260.79449	3.0
335.13354	16.4
335.17020	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	335.223
Annotation	PGB1
Peak:m/z	Relative Intensity
60.99314	0.2
62.11470	0.2
69.59750	0.8
70.06077	0.2
98.21908	0.3
133.03024	0.2
163.05789	0.2
187.07637	0.2
231.06703	0.2
237.21292	0.2
259.16711	0.2
271.20676	1.8
273.22540	0.2
287.20123	0.3
289.21704	1.2
290.21979	0.3
317.21188	2.1
318.21909	0.3
335.22299	100.0
336.22638	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	335.223
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
51.24306	0.2
51.95591	0.2
62.16871	0.2
79.81129	0.2
109.02966	0.4
133.02957	0.2
187.07678	0.7
215.03075	0.2
231.06662	0.7
231.10338	0.2
247.09738	0.7
254.84303	0.2
260.11420	0.2
335.22293	100.0
336.22641	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	335.2231
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
62.62106	0.5
79.18157	0.5
86.94640	0.4
93.07189	0.4
126.45238	0.5
126.92556	0.4
133.40852	0.6
193.59932	0.6
303.05978	1.1
335.22302	100.0
336.18951	0.8
336.22705	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	336.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73456	0.5
59.01378	2.8
61.98831	4.6
65.47576	0.5
71.41472	0.6
78.95898	7.1
87.00892	0.7
108.93786	1.0
110.93467	0.9
113.02473	0.6
134.96097	4.0
134.96989	0.6
134.98914	1.8
136.93077	1.0
136.94040	12.3
136.94962	0.6
137.94093	0.8
150.94817	7.4
152.91777	5.6
152.94524	11.4
167.90440	0.6
176.98119	1.0
177.98309	0.7
178.95129	14.6
178.97792	29.8
179.55312	0.5
179.95341	1.7
179.98022	1.8
187.25243	0.5
192.95865	47.4
193.96207	2.7
194.92970	9.2
194.95555	100.0
195.93318	6.0
195.95905	1.7
208.93840	10.6
210.91684	1.6
226.91267	0.8
250.94911	15.4
251.95021	1.4
252.92856	8.1
253.92903	0.6
267.91425	1.1
276.92456	0.7
292.94763	1.9
294.93866	30.5
295.93811	1.7
336.94211	22.8
337.94183	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01384	12.3
67.01894	5.6
69.03465	1.6
69.66199	5.2
71.01384	6.1
81.03458	1.8
83.01393	6.7
85.02959	8.7
87.00881	5.1
89.02479	2.7
90.97108	1.6
93.03470	28.0
95.01381	3.3
96.97023	1.4
98.00098	3.6
98.22609	2.7
99.00896	4.5
99.04521	1.9
101.02445	3.9
106.83202	1.3
108.93787	1.5
109.02953	3.8
110.93417	1.5
111.00157	2.6
111.00896	37.6
111.02008	4.0
111.04563	2.2
113.02475	5.4
113.06134	1.2
113.99589	10.1
115.00390	6.6
117.00156	3.2
119.05044	8.5
129.01938	1.7
131.05037	4.1
137.02408	1.7
142.34004	1.4
143.05016	1.4
145.02950	3.7
145.06612	2.8
154.99890	16.2
157.01450	2.8
157.05215	1.7
157.06641	4.0
159.04550	2.4
159.08177	6.2
163.04001	3.1
168.05849	5.2
169.01353	1.6
169.06602	12.6
171.04538	8.7
172.05307	17.6
173.04538	4.8
173.05975	1.7
174.01750	9.2
174.94691	1.6
175.02408	1.8
184.97678	4.6
185.06099	14.5
186.06860	1.9
187.07663	100.0
188.08044	4.1
189.05630	3.2
191.05647	18.2
201.05525	5.6
202.94292	2.9
203.03549	6.8
204.94023	2.7
213.05600	15.1
219.06734	2.5
228.92174	3.2
231.06638	50.8
232.06915	3.5
277.05606	13.5
278.98218	2.9
304.96472	1.7
318.04495	1.6
319.04694	14.1
326.81317	1.5
336.99060	1.7
337.07840	50.4
337.15146	4.2
337.59424	1.6
338.08179	3.3
340.95499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56182	1.1
52.69910	1.1
57.03469	1.7
58.01715	1.1
59.01387	29.9
60.40125	1.2
67.01881	3.6
69.03448	1.1
69.38083	4.5
71.01390	15.7
72.99323	1.3
73.02952	3.4
79.64162	1.2
81.03460	1.5
83.01403	8.0
85.02947	8.2
87.00873	3.8
89.02447	11.7
93.03471	34.7
94.03820	1.2
95.01379	2.9
98.00107	5.3
99.00893	1.5
99.04488	1.2
101.02454	5.8
109.02969	3.6
111.00897	34.2
111.04519	1.6
113.02452	5.9
113.06112	11.2
115.00378	3.3
119.03544	5.7
119.05028	7.9
127.04041	1.3
131.03532	1.4
131.05054	3.1
137.02446	2.0
143.03369	1.2
143.05035	3.9
145.02959	4.4
145.06589	4.3
146.03773	1.2
148.03896	1.2
150.94794	1.3
154.98743	1.8
154.99889	19.5
157.05061	9.2
157.06560	3.7
159.04517	2.5
159.08188	4.3
161.04593	3.4
163.04019	4.8
164.03471	1.3
168.05826	2.7
169.06584	16.0
171.04523	10.3
172.05318	13.4
175.07478	1.5
175.09790	2.9
178.94215	1.5
179.05659	1.6
185.06097	18.1
186.06860	3.3
187.07661	100.0
188.08061	6.3
189.05566	4.1
191.05618	7.5
192.95798	2.1
194.95523	1.8
201.05626	5.5
201.64267	1.3
203.03552	8.6
210.55826	1.3
213.05617	16.0
219.06674	2.0
231.06642	62.1
232.06958	4.7
279.10773	1.6
319.04572	14.2
337.05765	4.0
337.14825	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	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.01385	100.0
60.64069	2.5
67.01886	2.7
71.01393	33.8
73.01158	5.5
73.02954	8.1
81.03484	5.1
83.01395	7.2
85.02951	20.0
86.38234	3.3
87.00877	11.1
87.04497	4.4
89.02467	22.3
93.03465	40.8
95.01413	5.1
98.00073	4.2
99.00865	4.1
101.02434	25.5
102.02880	3.7
109.02998	4.4
111.00863	22.8
113.02457	16.7
113.06100	5.7
113.99588	3.7
115.00420	4.9
117.00151	10.9
118.96493	2.7
119.03511	10.3
119.05026	11.6
123.04487	3.1
137.02460	12.7
139.04028	12.9
143.05063	4.3
145.02965	4.9
148.94478	3.1
150.94827	9.0
154.99867	11.0
157.05092	6.8
157.06635	2.9
159.08090	3.2
161.04559	10.2
163.04010	10.1
169.06618	11.0
171.04530	7.0
172.05270	11.9
173.04521	4.1
174.11325	5.0
175.09744	4.9
175.11722	5.2
176.07185	14.1
178.94231	19.5
179.05675	4.4
184.89345	3.3
185.06035	9.4
187.06099	5.2
187.07672	64.6
188.08086	4.0
189.05466	4.0
191.05682	17.3
192.95862	12.0
194.95563	8.3
203.03413	8.4
213.05620	7.7
231.06606	39.1
233.37994	2.6
249.00842	4.0
252.96315	3.3
319.04562	9.6
337.07742	11.0
337.15094	11.8
359.22034	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	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85602	1.2
55.01880	1.6
59.01380	13.8
61.82564	1.1
68.99810	2.2
70.01580	2.7
71.01376	5.6
71.67009	1.0
72.39467	1.1
73.02940	2.6
75.00884	1.7
78.95896	1.6
83.01383	2.5
85.02966	8.8
87.00887	1.4
89.02435	3.0
91.64723	1.2
95.01379	1.5
98.21986	1.7
99.00867	3.1
101.02422	6.9
111.00848	2.9
111.02014	14.1
112.18630	1.2
113.02451	7.0
113.99584	16.6
115.00369	7.1
115.04030	2.6
119.03506	1.2
127.00365	1.4
129.01967	2.7
137.89442	1.0
157.01445	3.6
160.17458	1.1
161.04509	2.0
163.04054	1.0
174.01682	14.4
175.02470	2.7
175.06140	1.5
176.07208	2.8
277.05637	16.6
278.03351	3.6
279.37891	1.1
337.07773	100.0
338.08014	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26713	0.7
55.82657	0.7
57.03441	1.2
59.01385	7.9
67.01893	1.2
68.99806	3.2
69.03451	1.2
71.01405	3.8
71.21124	0.8
73.01171	2.7
73.02949	2.2
75.00877	2.7
83.01373	3.4
85.02949	9.5
87.00885	3.9
89.02448	1.9
93.03457	4.3
95.01369	2.2
99.00881	5.9
99.04534	1.1
101.02440	3.5
101.86626	0.9
108.06774	0.7
111.00886	7.1
111.01986	0.9
112.98745	0.8
113.02474	7.0
113.06052	1.0
113.98843	1.3
113.99602	24.9
115.00396	9.1
119.05048	2.3
127.00385	2.3
129.01941	5.0
131.05020	0.9
137.02492	1.0
154.99864	2.7
157.01428	6.6
157.05150	0.8
164.83591	1.2
169.01459	1.3
169.06651	1.4
172.05318	1.7
174.01717	19.6
175.02432	1.5
185.06091	2.3
187.07663	11.0
191.05611	1.8
203.03531	1.1
213.05638	2.9
231.06618	7.4
232.06720	0.8
266.56113	0.8
277.02640	1.3
277.05652	23.9
278.05896	1.3
319.04538	1.9
337.07770	100.0
338.08237	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	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01377	1.1
60.99288	0.2
61.57840	0.1
67.01901	0.9
69.03461	0.3
69.11537	0.5
69.11957	0.7
71.01388	1.0
73.02940	0.3
81.03449	0.4
83.05045	0.4
85.02960	7.0
87.00884	2.6
93.02870	0.3
93.03468	6.4
94.03812	0.2
99.00870	0.3
99.04537	0.4
105.38268	0.2
109.02964	0.5
111.04523	1.5
113.02504	0.3
119.05022	2.6
120.05371	0.2
127.04022	2.0
129.01935	0.4
145.02951	1.0
155.03535	0.2
163.04016	2.7
171.03003	0.7
173.04562	2.2
176.03560	0.3
191.05632	100.0
192.05989	3.5
206.60379	0.2
261.61389	0.2
337.09348	1.9
338.09448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35933	0.4
57.03456	0.7
59.01383	3.5
60.99305	1.2
67.01895	3.7
69.03456	1.2
70.28983	0.4
70.56107	0.8
71.01381	1.5
73.02943	0.4
81.03452	1.1
83.04998	0.8
85.02958	5.2
87.00884	4.5
91.34168	0.4
93.03465	24.4
96.03684	0.3
99.04526	0.8
109.02949	0.7
111.04526	3.4
119.05040	9.0
120.05398	0.5
127.04021	1.6
142.64398	0.4
145.02950	1.3
155.03506	1.3
162.43004	0.5
163.04037	8.3
173.04572	16.8
174.04915	1.0
191.05638	100.0
192.05968	3.3
192.58328	0.4
227.37550	0.4
243.48055	0.4
259.07205	0.6
337.09271	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01084	1.6
53.26122	1.5
57.03452	26.7
59.01386	100.0
60.01717	1.6
60.41209	1.7
67.01896	1.8
69.22929	9.5
71.01386	23.2
73.02950	6.6
83.01422	3.2
83.05082	1.7
83.41944	1.5
85.02968	9.7
87.00890	6.0
89.02444	18.8
93.03460	6.4
95.01395	2.3
98.21889	2.8
99.00882	2.5
99.04522	17.9
101.02460	20.9
111.04543	2.8
113.02439	7.8
113.06100	35.1
119.03513	6.0
119.05016	9.1
125.02450	6.4
157.05063	32.7
161.04568	6.9
163.04021	10.3
173.04585	3.9
175.02727	4.6
175.09779	7.2
176.03534	3.0
176.07205	2.1
179.05661	4.7
187.07594	4.5
191.05606	20.0
193.07152	10.8
250.06657	2.1
250.57016	1.7
277.12872	2.4
337.08282	5.6
337.14856	13.3
338.08615	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	337.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.6
61.98847	7.4
69.28873	21.6
73.08486	5.9
75.99260	5.3
78.27673	5.1
81.03495	7.3
83.05067	5.3
84.35574	5.8
93.03452	6.9
96.96021	10.3
97.02962	6.2
101.21053	5.4
107.05023	41.3
123.04566	14.5
125.06124	29.2
125.09718	29.4
135.08165	34.0
137.06085	17.8
153.09224	30.7
172.70680	5.6
176.08519	11.3
185.11838	24.0
189.12852	7.3
191.05576	7.3
191.10837	24.7
192.91792	6.2
217.12413	12.8
223.13544	7.7
224.11136	5.7
237.14960	12.0
243.17490	33.2
261.18823	6.1
267.12381	8.2
269.15500	9.4
287.16501	45.6
305.17648	45.1
319.19186	100.0
319.22842	11.3
320.19577	10.4
322.18008	18.2
337.16580	10.5
337.20197	50.8
338.20599	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	337.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.9
62.80523	1.3
67.66985	1.2
70.01009	3.3
99.49669	1.2
105.01965	5.3
160.39081	1.3
208.30424	1.6
231.17445	2.0
249.18620	100.0
250.18910	7.9
251.24931	1.3
337.20456	1.8
337.23929	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	337.2025
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03441	5.2
58.33894	2.3
59.01374	8.1
61.98827	5.5
68.58506	2.7
69.03455	5.2
69.65819	2.4
70.56722	3.0
70.57045	3.0
71.05025	3.3
78.30947	2.3
81.03458	5.0
83.01399	3.6
83.05035	7.9
86.96835	2.7
93.03474	5.5
95.05032	9.5
96.95998	6.2
97.02943	3.5
97.06587	11.4
107.05037	53.7
107.96887	2.8
109.02967	2.8
109.06606	5.8
110.03759	3.5
111.04556	5.0
111.08149	2.6
112.04451	3.0
118.90199	2.3
119.05029	6.1
120.05785	4.5
123.04530	15.3
123.08178	6.3
125.02454	5.6
125.06104	22.8
125.09733	30.6
135.08186	24.2
137.06129	15.3
137.07079	3.1
137.09735	4.0
147.04530	8.0
153.09221	40.9
160.08958	3.1
161.09715	3.4
163.07674	3.0
163.11295	7.8
165.09155	3.8
175.37799	2.7
176.08392	9.7
181.12309	2.8
185.11852	26.0
189.09322	2.9
189.12901	7.3
189.47809	2.6
191.05573	4.0
191.10817	22.6
197.11711	2.6
207.10310	6.6
209.11771	4.5
217.12334	11.0
243.17563	38.4
250.12149	2.9
261.18726	4.6
267.12384	9.6
269.15482	5.2
277.91119	2.8
287.16541	33.3
293.21097	4.7
305.17621	42.7
306.18311	3.0
319.15375	6.3
319.19138	100.0
320.19562	6.6
322.17831	18.2
337.20242	46.3
338.20514	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02873	4.6
52.41037	5.5
57.03423	7.2
59.01361	4.5
61.98838	6.3
67.23113	4.6
69.91261	12.5
81.03469	11.2
83.05004	6.8
84.02179	11.5
95.05043	7.6
97.02944	5.5
97.06606	12.7
103.23452	4.7
107.05038	69.5
109.06554	6.6
111.08241	5.3
113.06090	7.2
123.04539	12.6
123.08123	7.6
125.02396	5.7
125.06096	27.4
125.09729	34.6
127.07663	5.9
131.03394	5.2
135.08147	15.0
139.07652	5.0
153.09224	45.5
163.11320	19.2
165.09264	7.3
175.23727	5.1
176.08391	7.1
186.64021	5.8
191.05597	8.8
191.10783	29.1
207.10239	31.8
209.11836	13.0
217.12294	17.8
223.13371	10.4
228.79836	4.9
239.12895	20.1
241.14452	6.3
243.17590	11.2
250.12096	6.1
267.12479	9.6
268.13187	88.7
287.16537	11.2
297.52866	5.7
319.19168	100.0
319.22604	9.5
320.19501	11.5
337.20166	35.8
337.23917	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	338.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63655	7.6
59.01383	87.1
71.01383	29.4
71.43207	9.1
73.02936	9.2
73.04086	12.7
74.02477	14.7
85.02962	16.4
87.00893	10.1
89.02451	20.8
93.03464	21.5
96.11686	8.4
101.02470	18.0
111.04529	12.2
113.02445	9.6
113.72620	8.0
118.98116	22.2
119.03513	8.0
119.05036	14.9
131.03775	32.6
132.04567	81.5
133.03014	7.9
149.01149	9.6
155.58940	7.5
159.03040	10.1
161.04684	8.7
172.07687	15.4
175.02751	32.5
176.03549	71.8
176.07147	30.7
177.01932	100.0
188.07945	16.7
191.05690	27.1
192.05971	7.9
232.07095	11.6
233.43314	9.9
240.79332	7.5
276.08789	12.1
300.97437	8.2
308.12512	23.4
320.78125	7.4
338.08670	29.1
338.12820	15.7
339.07303	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	338.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.38147	1.4
69.45996	5.4
70.37482	1.4
71.01386	42.8
73.02937	2.7
85.02949	7.4
86.65864	1.4
87.00884	2.8
89.02454	50.1
93.03461	7.9
94.03771	2.4
101.02448	18.3
113.02478	14.1
115.05534	5.5
116.05061	4.4
116.13835	1.4
118.29976	1.4
119.03526	15.5
130.06636	4.5
131.03529	3.3
138.01971	3.5
143.03488	3.0
152.82211	1.6
158.06125	90.4
159.06471	3.7
161.04579	3.4
173.04527	3.9
174.04950	1.3
176.03531	1.9
176.86365	1.4
179.05641	4.0
191.05646	22.7
192.05911	10.2
282.02576	1.7
337.59579	3.6
338.09030	2.9
338.12714	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01389	5.6
69.76286	0.7
71.01389	0.4
76.60169	0.2
81.03452	0.7
85.02919	0.2
89.03973	1.6
97.87090	0.2
101.02461	0.4
104.02709	0.4
105.03471	3.2
130.56422	0.2
133.02975	7.7
134.03339	0.3
134.39209	0.2
148.01674	0.6
149.02486	0.7
159.03018	0.2
161.04520	0.3
163.12590	0.2
176.01138	1.7
177.01947	100.0
178.02289	3.5
183.26009	0.2
183.73817	0.2
207.55551	0.2
221.38902	0.2
279.14655	0.5
339.07230	10.5
340.07529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.7
69.58502	1.7
69.58889	1.5
71.01398	3.3
73.02978	0.9
85.02975	1.7
89.02441	0.9
96.96033	1.4
101.02464	3.0
103.83258	0.7
109.02995	0.9
113.02502	0.7
124.95547	0.7
126.48303	0.6
130.06673	1.1
133.02997	1.9
152.31557	0.7
161.04619	3.8
177.01918	10.5
178.05112	64.2
279.00491	2.8
279.14481	6.1
321.68271	0.8
340.10422	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.4
57.93041	4.1
59.01380	5.7
69.39806	17.1
71.05017	6.6
81.65809	3.9
82.89958	4.0
83.05032	12.0
84.02161	6.6
88.40946	4.8
95.05032	44.2
97.02953	9.1
97.06583	7.0
98.22699	4.9
99.04492	4.9
108.02180	5.3
109.06597	6.4
111.04525	8.6
120.52966	4.9
122.03695	5.7
123.04543	18.5
123.08163	5.3
125.09737	24.2
135.04546	8.7
135.08217	4.3
141.05641	7.4
146.42783	4.6
151.07648	13.7
163.11293	11.6
169.29549	4.6
171.10289	9.1
174.06911	7.6
181.12419	9.7
185.11855	12.2
197.11848	11.0
207.10291	24.8
209.11842	53.9
225.11256	25.5
243.12454	5.8
265.14502	6.9
277.17999	5.7
285.14890	14.8
303.16037	77.0
304.16437	10.1
321.17105	100.0
322.17105	9.4
339.18130	16.6
339.21799	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	339.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
70.85451	1.6
72.99321	2.9
92.23201	1.6
93.49237	1.2
97.06587	6.5
125.06100	21.1
143.07152	79.2
144.07437	2.8
151.11284	16.3
160.13052	1.3
169.12357	100.0
170.12714	5.2
213.11339	95.7
214.11647	6.3
237.14993	2.9
245.19072	2.2
321.20700	2.9
331.32138	1.5
339.08688	2.1
339.18033	8.7
339.21567	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	339.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	9.1
59.01386	3.2
64.71539	1.6
69.03455	3.2
69.08923	4.2
69.09352	7.2
71.05025	39.9
72.88181	1.4
81.03463	21.0
83.05036	6.5
90.16653	1.6
93.03479	2.9
95.05039	19.6
96.02200	1.7
97.02951	3.2
97.06597	7.6
98.22710	3.1
104.56069	1.4
107.05035	2.6
108.02161	3.5
109.02986	3.8
109.06604	4.8
110.03768	12.4
111.04538	17.7
111.08197	2.0
113.06107	1.8
121.02980	4.3
121.06631	7.2
121.14610	1.5
122.03759	4.9
123.04550	6.9
123.08170	24.4
125.06133	5.7
125.09731	64.2
126.10104	2.6
127.07632	1.8
127.11288	2.0
133.06635	7.2
137.06142	7.5
138.03276	2.0
139.07629	8.5
143.86652	1.6
149.06096	5.1
151.06543	2.9
151.07664	34.2
152.07970	1.7
153.09149	2.7
167.07144	34.9
168.07506	2.0
169.08818	2.0
169.84602	1.4
171.08937	2.7
171.10289	27.4
174.06918	4.6
181.12320	1.7
185.11888	4.7
187.09802	3.7
197.11856	3.8
199.09822	2.7
199.13455	2.4
201.11261	8.9
205.12331	3.0
213.11313	14.2
215.12885	100.0
216.13229	5.1
227.12875	1.8
249.11307	15.9
250.11858	3.3
259.17191	2.0
265.14484	16.0
277.18069	3.3
282.04596	1.5
285.14969	37.1
286.15225	4.0
303.16052	75.5
304.16391	7.4
321.17117	35.4
322.17404	4.1
324.09869	1.8
339.18192	6.0
340.18790	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	339.2177
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03462	3.8
59.01390	8.1
61.98804	3.3
71.41312	2.9
75.04736	2.9
97.02941	4.6
97.06596	3.8
98.10106	3.1
109.06652	3.2
123.04540	4.3
123.08162	3.7
125.09760	7.7
135.86818	2.9
137.06111	2.9
137.09731	5.6
139.07637	5.0
150.59230	2.8
159.24159	3.2
163.11328	8.3
168.19092	3.1
179.76271	2.9
181.12430	3.8
185.11884	8.1
191.14450	8.9
196.64049	3.4
200.84416	3.6
207.10280	8.9
225.11357	6.4
240.78168	3.4
241.14545	3.2
245.19127	33.2
246.19426	2.8
289.18140	100.0
290.18369	9.0
307.19153	31.7
308.19287	5.1
321.20837	11.9
324.19427	7.7
339.17853	6.1
339.21799	66.2
340.21841	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	339.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.4
61.98815	9.6
68.17316	7.9
69.84686	29.6
71.01393	41.4
72.02165	17.3
86.14912	9.5
94.36157	8.9
98.21927	11.5
99.08167	12.9
109.06587	21.2
111.08145	14.3
117.62645	8.2
125.09743	100.0
127.07687	94.6
139.07666	77.5
167.10675	13.4
167.73061	9.3
168.66809	9.4
183.01208	19.0
187.09865	11.5
195.13911	22.3
244.19965	9.5
252.13690	31.5
268.13205	15.5
320.29745	12.7
321.20743	12.8
339.16321	23.1
339.21619	29.7
340.15512	12.5
361.20697	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.58879	0.2
52.25093	0.2
56.44966	0.2
62.38678	0.2
62.89423	0.2
63.19549	0.2
69.69154	0.8
90.40182	0.2
96.24443	0.2
105.45712	0.2
107.05013	0.2
147.08170	0.4
163.11301	100.0
164.11633	3.3
254.14192	0.2
308.35977	0.2
339.23309	40.8
340.23679	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	340.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.5
63.98777	0.6
69.33514	1.4
69.33922	2.7
71.01418	2.3
75.51492	0.6
81.03505	0.6
88.17005	0.6
89.02498	2.4
95.27068	0.6
96.96056	0.9
97.06601	0.6
97.07313	0.6
115.07717	0.7
123.08208	1.8
125.09756	0.9
127.07674	0.8
141.09306	1.0
179.05698	0.7
195.10307	1.7
197.06119	0.9
197.11955	1.0
199.09857	2.4
201.11464	1.6
209.06184	1.2
209.11913	1.4
213.11320	3.2
215.12935	0.7
224.02733	1.2
224.04776	6.1
225.05586	24.3
225.11438	2.8
226.05835	1.4
227.13029	1.2
237.05569	0.8
239.07132	4.6
252.04358	0.9
253.05093	18.7
254.05583	1.5
265.05133	1.3
265.53021	0.7
267.06494	3.2
268.07401	11.8
269.07925	1.2
271.15646	0.8
281.07080	1.3
282.07736	16.0
283.08041	0.8
287.16647	1.0
296.09387	2.1
300.06134	0.8
305.17590	3.1
310.07248	21.1
310.10727	1.2
311.07632	2.1
323.18677	2.2
324.08713	2.2
325.09583	84.9
326.09946	7.5
340.11914	100.0
341.12195	9.1
341.19540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.8
66.20639	0.4
69.20080	3.1
71.01420	2.2
74.53526	0.5
75.33978	0.5
78.08282	0.6
89.02476	1.5
93.95767	0.5
96.96016	1.0
98.22633	1.0
101.02464	0.5
102.43452	0.5
103.77074	0.5
113.02453	0.7
115.01875	0.5
119.03576	0.6
123.08212	1.5
179.05647	0.7
195.10294	0.6
197.06200	1.0
199.09749	1.2
201.11308	1.1
209.06161	1.7
213.11325	0.6
215.12946	0.7
224.04765	4.7
225.05580	25.1
226.06009	2.6
237.05663	1.6
239.07156	5.7
252.04454	1.1
253.05090	18.8
254.05487	1.5
254.08214	0.8
265.05103	2.0
267.06708	3.2
268.07443	11.1
269.07779	1.4
281.06995	1.6
282.07727	16.2
282.10757	0.9
283.08011	0.9
296.09271	2.3
300.06561	0.9
305.17670	1.0
308.09412	1.1
310.07257	20.4
310.10733	1.6
311.07550	2.0
323.18661	1.6
324.08896	3.1
325.09579	87.7
326.09924	7.1
340.11911	100.0
341.12222	9.5
341.19617	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90797	0.5
59.01379	0.5
60.23795	0.5
70.17088	0.6
70.17403	1.0
71.53390	0.4
98.22012	0.6
119.04990	0.5
132.59782	0.4
149.93134	0.5
159.59528	0.5
196.05266	3.2
208.05322	1.4
223.04137	0.5
224.04807	49.1
225.05153	3.7
237.05670	0.9
238.02829	0.9
238.06239	0.6
239.07179	5.9
251.03554	1.2
252.04294	29.1
253.04681	2.8
253.08575	0.7
254.11879	0.9
267.06674	16.1
268.06940	0.9
279.54794	0.5
281.08295	0.8
282.09259	0.9
282.11417	14.3
283.11673	1.3
310.10870	100.0
311.11169	10.9
325.13214	81.6
326.13544	8.9
332.89288	0.5
340.15543	93.9
341.15848	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	340.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38618	0.2
55.93991	0.2
58.02981	13.4
59.01376	0.9
63.70109	0.2
66.03479	0.7
69.39633	1.2
71.01383	0.4
81.02193	0.4
82.06647	2.2
83.05029	0.4
87.05647	0.8
88.04045	0.8
89.02451	0.7
97.04092	3.1
109.01694	0.3
114.05621	100.0
115.05960	2.6
122.09795	2.0
129.06725	0.3
130.05135	0.8
138.09297	0.3
140.07237	0.5
153.09117	0.4
153.10320	2.8
155.11900	4.4
160.27701	0.2
166.08751	18.9
167.09094	0.8
179.05664	0.3
183.11400	8.7
184.11797	0.6
207.09566	0.3
209.13004	0.5
224.04776	1.3
225.12471	11.1
226.12891	0.9
227.14047	0.9
252.04317	0.8
254.18765	8.8
255.19063	0.6
267.06729	0.4
282.11536	0.5
296.19821	3.9
297.20364	0.5
310.10898	3.3
325.13260	2.2
340.15500	2.1
340.18866	23.2
341.11142	0.4
341.19189	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	341.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10839	0.5
58.87160	0.4
59.01390	7.7
69.09803	1.6
69.10202	0.9
70.06225	0.4
71.01390	5.1
73.02956	0.5
83.05050	0.6
85.02986	1.1
87.00877	0.4
89.02451	5.9
93.03467	12.6
94.03807	0.5
95.05012	0.6
101.02445	2.7
108.02194	0.8
109.02954	4.0
113.02437	1.5
115.05574	0.5
119.03496	1.7
119.05036	4.3
121.02984	4.1
123.04510	0.5
125.09674	0.5
125.12286	0.4
129.03499	2.0
130.04231	1.6
131.05034	6.9
135.04550	0.6
143.03505	0.4
143.05025	2.2
145.02974	0.8
145.06638	0.6
146.03777	2.1
147.04541	17.2
148.04855	0.8
158.03720	1.6
159.04526	11.0
161.04575	0.6
171.10281	0.6
174.03267	0.9
175.04019	7.4
179.05653	2.1
201.11322	0.6
203.03473	0.5
203.05257	0.4
209.06235	0.5
209.11884	0.5
215.12907	0.6
219.03024	0.5
223.07693	0.6
224.04782	0.7
225.05388	0.5
225.09114	1.0
228.10329	0.6
234.06905	0.6
235.07587	1.3
236.08434	1.9
237.05643	0.4
238.06364	1.3
249.11159	0.6
251.07143	2.9
252.07918	4.3
253.08716	100.0
254.09055	8.1
283.09805	0.7
297.07761	3.5
298.07889	0.4
298.11679	0.4
302.81546	0.4
305.17590	1.6
311.09012	0.9
312.08734	0.7
316.33768	0.4
323.18555	1.0
326.11478	1.1
327.11072	1.0
341.06805	0.8
341.10757	2.6
341.14145	0.8
341.19424	2.4
341.23141	0.6
342.13614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.32523	0.4
59.01383	8.0
66.76640	0.4
71.01392	4.5
71.05012	1.4
72.99317	2.2
73.02956	2.5
75.00878	37.1
76.01205	0.5
81.03461	2.1
85.02959	1.2
87.00880	3.6
89.02458	2.6
93.27239	0.4
99.00891	8.2
99.04528	1.7
101.02450	1.2
113.02456	0.8
117.03462	0.4
118.98084	0.5
119.03513	0.8
125.02463	0.7
133.02945	1.5
134.03763	5.3
135.04549	13.5
138.05629	2.2
143.03528	7.7
147.03030	0.9
149.06042	0.5
159.87131	0.4
161.02513	2.3
161.04591	3.4
165.04008	2.6
179.03615	4.6
179.05624	100.0
180.05939	2.1
193.04980	3.9
194.06389	0.5
211.90346	0.4
214.83337	0.4
224.04910	0.6
225.05159	0.7
310.10901	1.0
311.11142	1.9
325.13327	0.6
326.13593	2.1
338.91776	0.4
340.15427	0.4
341.08441	3.2
341.15869	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
57.03453	9.2
59.01382	17.8
69.32903	3.2
71.01389	11.6
73.02942	1.5
75.00879	3.2
85.02956	2.3
87.00871	2.1
89.02452	8.6
89.03984	3.0
93.77587	0.7
99.00889	5.0
101.02455	4.2
103.00404	2.0
109.02967	1.9
113.02464	3.1
117.03493	8.7
119.03491	4.1
121.02960	7.2
129.01933	2.7
130.99866	1.0
133.02979	1.2
134.03752	91.2
135.03130	0.9
135.04453	3.3
139.04021	2.2
143.03532	1.7
147.02979	6.2
149.06100	7.6
161.04591	2.1
161.06100	1.5
165.04063	3.0
166.05159	1.4
178.02759	3.9
179.03610	4.9
179.05608	6.0
179.07156	24.8
180.07491	1.2
191.05579	2.5
193.05074	100.0
194.05412	4.0
195.05119	1.1
197.05699	0.9
224.04800	8.2
225.05154	9.4
228.04001	0.9
239.07079	1.2
240.04140	0.9
252.04219	2.8
253.04573	5.3
267.06595	2.1
268.06921	3.5
283.11697	2.8
298.10919	1.6
310.10904	6.6
311.07599	1.2
311.11212	19.5
312.11411	1.1
325.13074	5.9
326.13522	18.3
340.15662	4.1
341.08810	2.7
341.12036	2.7
341.15863	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	341.0881
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
50.31954	0.3
56.12495	0.4
58.25323	0.4
59.01381	11.3
64.90870	0.4
70.92027	0.6
71.01390	6.8
75.00876	0.4
85.02965	1.4
87.00887	0.7
89.02450	10.0
93.03469	0.4
95.01398	0.6
101.02448	3.7
107.05023	1.3
109.02952	0.4
113.02444	2.8
114.05610	0.6
117.03465	0.3
119.03490	3.2
131.03580	0.4
131.57254	0.4
133.02995	0.7
134.03786	2.3
135.04538	100.0
136.04880	3.7
138.05505	0.5
143.03513	0.9
149.05887	0.4
161.02483	1.4
161.04575	1.5
177.01959	0.6
178.02196	0.4
179.03633	3.0
179.05635	4.7
179.07153	0.7
271.09662	0.6
341.11197	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	341.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21421	0.2
55.01874	1.1
57.03449	1.2
58.00591	1.1
59.01385	100.0
60.01717	1.5
63.71735	0.3
69.44694	0.6
69.45069	0.7
71.01387	59.1
72.01727	0.5
72.99310	0.9
73.02943	1.7
83.01382	1.8
85.02958	7.4
87.00883	2.9
89.02452	72.8
90.02797	1.1
95.01406	3.6
98.21932	0.6
99.00885	0.5
101.02453	27.1
102.02771	0.9
107.03477	0.5
113.02461	24.0
114.02773	0.5
119.03513	26.7
120.03849	0.6
125.02443	0.7
131.03529	3.5
143.03522	5.8
144.03908	0.3
149.04572	3.5
161.04584	8.2
163.66832	0.3
179.05629	25.3
180.06570	0.9
197.13622	0.3
341.10910	29.3
342.07669	0.3
342.11169	2.1
353.38196	0.3
356.70300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
58.00607	1.1
59.01386	100.0
60.01735	0.7
66.58743	0.6
70.92566	0.8
71.01391	57.0
72.01730	0.7
72.99335	0.9
73.02976	1.2
83.01389	1.5
85.02962	9.7
87.00874	2.9
89.02456	70.7
90.02789	1.5
95.01398	3.1
95.62133	0.6
97.02966	0.8
101.02459	26.7
102.02783	1.2
111.00855	0.9
113.02460	23.6
114.02792	1.2
119.03513	27.5
125.02395	1.0
129.01968	2.5
131.03511	4.3
143.03516	6.5
149.04581	2.8
158.99756	1.3
161.04588	7.0
179.05637	25.5
180.06108	0.9
184.97771	1.9
206.99791	1.0
253.00441	0.9
253.33644	0.7
341.10922	28.2
342.11215	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.1
57.72377	1.0
57.81860	1.0
59.01385	100.0
69.45979	4.1
71.01389	58.2
71.01790	1.9
72.51226	0.8
72.97003	1.1
73.02956	1.4
85.02956	10.4
87.00887	2.3
89.02454	69.1
90.02777	1.0
95.01406	4.1
99.00813	0.9
101.02454	28.6
113.02459	21.1
119.03516	24.4
129.01933	1.6
131.03517	3.3
143.03500	5.8
149.04587	2.3
158.99800	1.2
161.04604	8.1
161.80618	0.9
179.05641	28.7
184.97743	2.4
341.10889	29.7
342.11322	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01018	2.9
71.01388	42.1
71.01782	2.7
72.76761	1.4
72.99326	2.1
73.02950	35.8
75.00876	11.6
83.01391	6.8
85.02934	10.0
87.00889	3.6
89.02451	23.4
93.03439	2.1
95.01369	2.9
99.00880	2.7
101.02454	30.5
101.40979	1.5
107.04986	2.2
108.02191	1.6
109.02987	1.7
113.02469	23.4
119.03566	12.0
119.05036	38.5
121.02949	3.3
123.03239	1.8
125.02435	1.6
131.03532	2.5
133.02969	10.2
134.03757	5.5
135.04541	94.2
136.04869	3.3
137.06110	2.0
138.05595	7.8
139.03998	2.0
143.03513	6.2
143.04854	1.6
146.03711	3.6
147.04509	6.0
149.04648	2.8
153.71407	1.8
161.02432	2.3
161.04559	6.1
161.05933	2.0
177.01929	2.1
179.03502	94.1
179.05577	28.4
179.07066	2.0
180.03831	4.7
184.17078	1.5
209.04466	3.6
224.04813	8.6
225.05188	15.5
237.05693	1.7
240.07368	3.0
252.04303	2.9
253.04765	13.5
253.08853	3.6
254.05757	5.5
255.32840	1.6
267.06564	4.0
268.07065	7.5
269.08005	2.8
281.10318	11.7
283.11594	4.6
299.11316	3.2
310.10934	4.3
311.11224	40.2
312.12195	5.1
325.13120	3.2
326.13617	37.2
327.14584	6.8
340.15573	1.8
341.08502	8.8
341.15833	43.7
342.12885	2.3
342.16925	9.6
342.91650	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.7
58.00600	3.3
59.01378	23.4
61.98832	3.8
62.42670	3.3
63.33370	2.5
66.14776	2.6
71.01394	16.8
73.02959	11.3
83.05010	4.3
84.02165	3.1
85.02955	8.3
89.02465	7.7
91.29446	2.6
95.05037	23.2
96.57404	3.3
96.60509	2.8
97.06610	6.5
100.01667	6.7
101.02425	4.8
103.35184	2.5
107.05064	4.2
109.06603	6.5
111.08147	2.6
113.02464	3.5
113.06089	5.8
113.09734	25.1
115.07683	14.7
119.03516	3.9
125.09750	5.6
127.07656	32.5
141.09227	10.5
149.09802	4.1
151.00398	3.0
151.07594	7.9
151.11299	8.3
163.11322	5.7
169.08693	29.6
169.12383	10.1
171.10280	100.0
172.10605	3.5
179.05544	3.6
181.12320	3.0
185.11859	5.2
199.13521	3.9
207.10271	16.1
209.11836	3.8
213.11343	8.4
215.12823	6.2
225.11363	23.1
226.28070	2.9
227.12907	22.6
243.12387	4.7
261.18610	5.4
279.19598	10.5
287.16290	2.8
292.60785	3.0
302.31528	2.8
305.17410	7.4
323.18716	7.8
341.10944	6.9
341.19617	10.5
341.23410	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	341.1972
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
57.03436	6.7
58.00590	4.1
59.01376	7.2
67.98232	2.4
69.03440	4.0
71.01379	8.5
71.05028	9.3
73.02953	4.4
80.02702	2.4
81.03461	7.2
83.05033	6.5
85.02943	4.3
87.04507	2.6
89.02428	2.9
95.05040	13.5
97.06586	6.8
98.03736	4.9
98.21879	5.2
98.91666	1.8
106.04268	1.8
109.06594	38.6
113.06126	3.9
121.06573	2.4
123.08141	5.5
125.06068	8.5
125.09743	30.0
127.07677	18.0
127.11301	11.4
135.08197	2.4
137.06091	3.3
137.09752	3.3
139.11293	2.4
141.09209	2.1
151.07684	10.9
151.11325	4.7
153.09253	3.7
155.10773	5.8
163.11317	2.3
165.09219	5.3
165.12834	2.7
171.10316	14.3
185.11856	18.5
190.27962	1.9
195.10304	3.6
197.11842	14.2
199.09766	8.0
201.11348	100.0
202.11652	5.2
207.10512	1.9
209.11853	31.7
210.12166	2.5
213.11346	64.4
214.11703	4.1
221.11885	4.1
225.11420	2.9
227.12918	8.0
228.30150	2.0
233.11836	3.3
235.13466	2.6
239.12909	3.5
251.12921	35.0
252.13434	2.4
265.14487	7.3
287.16553	19.7
305.17581	26.6
306.17825	2.5
323.18634	48.0
324.19141	3.9
341.19696	85.2
342.20114	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	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45413	1.9
57.03450	3.9
59.01387	19.3
64.28506	1.8
69.03445	2.7
69.10905	8.7
69.11327	5.8
71.01387	30.4
71.05023	18.9
73.02944	6.9
75.02462	2.0
79.82014	1.7
81.03487	3.7
83.01374	2.3
83.05027	11.2
84.02167	5.4
85.02945	12.9
85.06581	4.2
88.08438	2.3
89.02447	10.2
93.03503	2.2
95.05038	40.2
96.22910	1.8
97.02938	3.2
97.06585	10.8
99.04521	6.8
101.02456	3.7
102.70436	2.1
104.39587	1.8
105.39621	1.8
107.05040	4.5
108.02175	4.0
109.02930	2.2
109.06612	9.5
110.03728	9.7
111.04516	3.9
111.08157	5.8
113.02427	3.6
113.06097	8.8
122.03784	9.3
123.04518	3.6
123.08176	7.0
125.06109	25.7
125.09744	11.5
127.11317	2.2
135.04544	2.2
135.08179	6.5
136.05290	6.0
137.06090	6.5
138.06497	2.2
141.12843	3.6
151.07674	21.1
153.09256	3.6
155.07135	3.5
161.04555	1.9
163.11314	5.7
165.12849	9.0
171.10265	14.7
177.12898	2.7
183.13847	2.7
185.11862	54.3
186.12148	2.4
197.10150	3.9
197.11842	45.9
198.12128	2.4
201.11356	5.6
206.15852	1.9
209.11847	100.0
210.12149	6.4
213.11388	3.4
221.11832	14.8
227.12933	27.2
233.11797	2.7
235.13417	7.9
237.11232	2.0
237.15034	2.4
239.12892	13.7
247.13341	6.2
249.14934	3.6
251.12955	15.9
253.14452	4.5
257.13916	7.1
261.18576	3.0
265.14459	14.0
277.18152	2.2
287.16571	6.4
296.31439	1.9
305.17645	34.9
306.17728	3.7
323.18674	55.8
324.18878	6.7
341.11005	4.9
341.19708	58.0
342.20059	7.8
348.43027	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.2
58.00598	3.3
59.01384	16.0
66.05238	1.1
66.91492	1.1
69.03484	1.9
71.01382	8.9
71.07839	1.4
72.02157	3.0
73.02956	12.5
80.02692	1.3
83.05018	1.8
84.02171	3.7
85.02968	5.8
87.09574	1.2
89.02443	5.1
95.05033	26.6
97.02959	1.5
97.06604	7.1
99.00890	2.7
99.08175	5.8
100.01675	8.1
101.02481	2.0
103.01454	1.6
107.05048	6.2
107.38555	1.5
109.06593	5.1
111.08160	6.0
113.02494	1.1
113.06104	5.5
113.09736	19.6
115.07671	13.0
119.03529	2.0
121.02967	5.5
123.08131	3.0
125.06106	3.8
125.09736	5.5
127.07662	31.5
127.11299	2.8
135.04625	1.2
139.07654	8.1
141.09218	11.9
149.02406	2.3
149.09702	3.5
151.07651	6.4
151.11295	15.9
153.09274	2.0
153.12828	3.5
155.10764	2.4
163.11324	5.8
167.10803	2.4
169.07274	1.7
169.08716	27.4
169.12329	6.0
169.94945	1.2
171.10280	100.0
172.10614	3.3
179.05728	1.5
181.12354	3.2
184.01027	1.7
185.11821	15.8
189.09164	2.8
195.10263	2.7
197.11812	4.8
199.13429	5.6
201.11360	6.5
207.10280	13.4
209.11848	5.9
213.11345	13.6
215.12851	3.8
225.11330	19.9
227.12914	21.3
235.20432	1.7
243.12378	5.7
261.18536	2.0
277.18091	1.8
279.19736	10.4
287.16635	2.7
295.19107	1.7
297.20715	4.1
305.17606	7.7
310.10840	1.4
323.18622	8.7
341.07031	1.6
341.10886	2.1
341.16019	1.6
341.19669	6.1
341.23337	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	341.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
58.00596	2.2
59.01381	20.0
69.10271	12.8
71.01394	10.6
72.59005	1.8
73.02951	12.2
81.03492	1.9
84.02158	3.6
84.61540	1.6
85.02954	4.1
89.02462	5.7
95.05037	26.7
97.06611	7.8
98.21914	5.0
99.00883	2.5
99.08148	6.0
100.01680	6.3
101.02446	3.2
107.05050	4.4
109.06574	3.8
111.08153	3.7
113.06136	4.0
113.09741	23.6
115.07637	16.7
119.03500	3.0
123.08174	5.4
125.06085	3.7
125.09708	12.5
127.07657	33.0
127.11318	5.8
128.07938	2.2
139.07660	5.2
141.09192	16.8
149.09677	3.9
151.07660	5.6
151.11308	14.4
153.09229	3.1
153.12828	2.6
154.06363	3.9
155.10806	5.0
163.11273	6.3
167.10747	3.9
169.08725	39.9
169.12338	9.3
171.10278	100.0
172.10637	2.9
179.05591	2.2
181.12373	7.7
185.11852	19.3
195.10245	4.7
197.11852	2.7
199.13422	6.2
201.11374	18.3
207.10291	24.6
209.11850	3.7
213.11324	20.4
213.14726	1.8
215.12822	5.7
225.11342	36.6
227.12930	22.3
228.13364	2.5
243.12398	7.4
261.18546	3.0
279.19687	14.5
291.70114	1.8
294.28412	1.9
297.20737	6.4
305.17618	12.4
323.18585	10.8
324.18921	2.4
341.11124	4.1
341.19543	9.2
341.23407	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94981	0.4
57.03459	0.6
59.01381	2.3
69.03471	2.1
69.75652	0.4
71.01385	0.5
73.02955	0.5
83.05037	1.7
84.02173	11.9
85.02962	0.5
89.02435	0.8
95.05022	0.7
97.02963	6.7
97.06599	8.1
98.21812	0.8
99.04539	3.0
110.03680	0.5
111.08193	0.8
115.07661	0.6
115.19767	0.4
119.08662	1.5
121.10220	0.4
123.08176	0.7
125.09743	2.1
127.07633	0.8
127.11306	1.5
135.08163	1.3
137.09717	2.4
139.07629	0.4
151.07626	0.8
151.11307	1.0
153.09261	0.7
163.11232	0.5
167.10899	0.5
169.08702	1.1
169.12376	0.8
171.10280	39.7
172.10648	1.4
175.11263	0.5
179.05583	0.4
185.11836	1.2
193.12358	11.0
201.11383	1.0
207.10117	0.6
209.11870	0.5
211.13463	2.0
215.12839	0.8
221.11925	1.0
225.11382	1.0
225.14966	14.3
226.15315	0.9
239.12831	0.7
243.15993	5.8
249.27571	0.4
253.14424	1.7
272.16309	0.5
283.09634	0.7
285.07611	0.4
291.19672	4.7
305.17697	0.6
305.21112	0.7
323.18668	1.3
323.22363	0.5
341.23340	100.0
342.23688	10.4
344.44647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
66.17565	0.9
69.03445	1.3
70.91917	1.1
71.01353	1.0
84.02173	17.8
97.02949	8.9
97.06616	1.8
99.04539	3.2
111.08177	1.4
112.96346	0.9
119.08669	3.1
119.87174	0.9
125.09724	1.4
127.11297	1.1
137.09729	1.5
171.10281	57.2
172.10628	2.6
193.12354	3.8
225.14925	3.3
226.32556	0.9
243.15997	1.6
253.14485	1.0
263.40292	0.9
290.53833	1.0
291.19757	6.2
341.23325	100.0
342.23706	9.1
362.10040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89516	0.9
57.03433	1.2
59.01375	3.8
63.90682	0.8
69.57154	3.9
71.01393	3.7
85.02957	7.1
89.02477	2.3
98.22651	2.1
101.02477	1.3
124.05397	0.9
125.09754	1.4
133.92520	1.0
137.09711	4.5
139.07745	1.9
141.09224	0.9
155.10976	0.9
165.12822	1.3
169.12367	7.3
171.10307	3.4
179.05640	1.1
179.36975	0.9
183.13939	2.4
190.94394	0.8
209.11880	2.3
211.13441	2.5
211.42477	1.0
217.43277	0.8
221.11815	1.0
227.12880	4.6
239.12778	1.1
247.20604	1.0
253.05074	4.3
271.15503	6.8
272.16306	3.3
286.29309	0.9
291.19699	3.6
297.56335	1.0
309.20712	24.6
310.21222	2.1
323.22351	2.0
341.23349	100.0
342.23782	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	341.2697
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
57.03440	1.0
59.01368	4.4
70.20337	2.4
71.01376	3.5
71.67944	1.0
84.90418	0.8
89.02460	3.6
101.02421	1.3
113.02459	1.2
133.92374	0.9
152.91890	1.0
166.15828	1.0
179.05679	1.3
277.25436	1.3
279.26968	73.1
280.27368	6.7
297.28030	2.0
323.25961	20.4
324.26218	2.7
328.46283	1.0
341.26981	100.0
342.27383	12.4
357.48761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
66.43989	0.5
81.79674	0.6
98.22655	2.4
103.04290	1.1
104.05090	2.5
108.29414	0.6
121.02974	3.2
126.99572	12.5
130.03001	0.7
131.03777	2.4
131.08681	2.9
134.28584	0.7
135.00873	0.9
148.04071	1.8
151.03210	3.8
158.47935	0.6
163.07666	3.2
165.04776	2.0
167.06343	100.0
168.06659	5.4
169.47923	0.6
182.34993	0.6
184.01004	0.8
196.85155	0.6
211.03278	1.3
211.05333	26.4
212.05672	2.0
243.02182	1.2
298.09946	1.0
315.07925	6.6
342.09167	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	342.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10233	20.6
59.01373	100.0
59.04391	19.4
59.40294	19.0
69.31975	94.1
71.01368	88.9
82.25462	21.1
85.65813	22.6
89.02449	69.2
98.22597	43.8
113.02484	19.5
119.03510	43.6
119.05000	37.3
135.04530	70.9
136.04836	73.1
162.05560	40.5
179.05667	35.9
180.03969	27.1
227.51404	22.7
299.11301	24.2
343.10388	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52470	4.2
59.01388	100.0
60.01712	6.1
60.29149	5.1
60.86315	5.1
61.98838	21.8
69.18222	30.9
71.01401	37.0
72.01725	8.8
85.02962	6.2
89.02457	33.0
90.02790	5.7
91.05352	4.8
101.02456	16.9
102.02776	6.2
113.02469	11.4
114.02797	8.7
115.08850	5.1
119.03499	12.5
120.03851	6.9
121.02991	12.4
123.04540	16.9
132.82233	5.2
135.04477	8.3
137.02429	5.7
137.06088	10.1
144.03760	5.0
165.01959	37.1
178.05103	5.5
179.05656	12.2
180.06769	62.7
181.05058	27.5
315.89413	4.6
342.11215	20.3
343.10260	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	342.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20820	7.4
73.25524	7.5
75.46761	6.7
132.67012	8.0
168.85782	7.9
244.81934	8.9
342.20529	100.0
343.20999	11.7
343.94135	7.4
348.79095	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64436	0.2
56.39021	0.2
59.01385	96.9
60.01719	0.7
61.98839	0.3
69.65251	0.5
99.57931	0.2
101.23328	0.2
113.04603	0.3
115.02515	0.5
121.95330	0.2
129.64648	0.2
157.03572	6.3
158.03732	0.5
159.01530	2.7
185.01196	0.6
186.00835	0.3
199.98779	0.7
201.02567	100.0
202.02719	8.5
343.03793	1.7
344.03748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0824
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
59.01379	5.9
83.01390	77.3
96.80349	3.0
97.20913	3.1
103.87700	3.0
120.18501	3.3
130.18164	4.0
137.64601	3.0
162.24951	3.0
188.33127	3.2
189.05591	10.9
215.03552	7.1
220.42563	3.2
229.05054	9.2
231.06627	45.9
257.04395	4.8
259.06107	54.8
286.04703	4.2
299.09268	7.7
300.06305	3.7
313.03552	37.9
314.03595	5.7
328.02332	6.4
328.05927	96.0
329.06174	8.3
343.08231	100.0
344.08536	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	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
53.37967	0.5
59.01381	13.1
61.98818	1.6
62.60041	0.5
69.34721	0.9
69.35109	2.1
71.01389	5.3
85.02956	1.5
89.02451	4.6
92.05036	0.7
93.03452	0.9
94.26875	0.5
95.01403	0.7
101.02467	3.1
101.03020	0.5
107.05031	0.6
107.73089	0.4
108.02184	1.2
109.02968	10.9
113.02457	1.5
117.03487	1.2
119.03502	1.6
119.05035	1.5
134.03787	0.7
135.04543	26.1
136.01666	0.6
136.04866	0.8
137.02449	8.0
137.06093	6.7
139.03989	0.8
145.02956	3.5
153.05536	0.9
163.04030	23.5
163.05403	1.2
164.04346	1.3
180.04276	1.9
181.05081	100.0
182.05432	5.5
183.34364	0.6
189.36052	0.6
201.78708	0.5
280.34628	0.5
343.10367	45.2
344.10654	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	343.1188
Annotation	Nigrolineaxanthone A
Peak:m/z	Relative Intensity
52.32706	0.6
59.01364	2.0
60.15511	0.6
60.91343	0.6
69.03471	1.1
70.66398	1.2
80.46154	0.7
82.00607	1.5
85.68548	0.6
93.03446	0.7
94.49806	0.7
110.00111	13.4
122.07961	0.7
122.24545	0.8
125.02466	7.9
125.09747	1.7
129.09196	0.9
133.06609	32.8
134.06932	1.1
135.80554	0.7
137.02501	0.9
137.99608	13.0
141.09190	1.2
153.01955	100.0
154.02261	2.6
164.01135	1.2
165.01953	2.3
165.99094	1.2
168.04308	74.9
169.04672	3.3
171.10300	7.5
179.03513	3.6
183.06647	29.1
192.00667	5.5
201.11377	2.0
207.03030	8.7
222.05336	6.8
237.07690	16.1
247.26772	0.7
254.04388	4.4
283.02844	0.8
298.04849	3.0
313.07190	13.5
314.07614	1.9
328.09552	16.5
329.09952	2.0
343.11905	5.6
343.24927	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	343.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	94.4
59.45775	30.6
68.21851	35.2
69.55507	100.0
69.55915	57.1
76.44949	28.5
79.30455	30.8
119.22188	36.4
195.91541	33.6
330.40863	38.1
343.21158	54.1
343.24936	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.27272	0.8
57.03453	4.0
59.01385	1.9
59.74171	0.6
61.74653	0.8
69.03463	1.5
69.16302	0.9
69.16696	3.3
71.01366	0.7
71.05020	3.1
81.03458	1.4
81.61263	0.8
83.05015	3.8
83.34244	0.7
84.02163	3.4
85.02967	4.0
85.06606	2.3
87.04519	2.4
95.05038	8.8
97.02968	1.0
97.06597	2.3
109.06589	0.7
113.06103	2.3
115.38090	0.6
123.00121	0.6
123.08190	2.1
123.68669	0.6
125.09716	2.3
127.11280	2.1
135.08185	1.8
153.09213	0.9
155.10863	0.8
167.14476	1.2
171.10284	22.6
181.12401	0.8
182.04597	2.1
183.13911	2.9
185.11801	1.0
193.12366	0.8
201.11382	1.5
209.11844	3.0
211.13438	11.6
218.04483	0.8
221.11813	0.9
229.14449	23.4
231.13806	0.6
237.15019	7.3
239.12755	1.5
249.15021	3.3
267.15933	1.9
289.18167	1.3
307.19177	1.2
325.20160	7.3
328.11542	1.0
343.21262	100.0
344.21558	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99876	0.8
59.01366	1.2
60.46691	0.7
69.03455	1.7
83.05002	1.1
88.59779	0.8
99.08163	6.5
118.03011	1.6
121.10239	6.3
125.09725	2.5
126.14442	0.9
127.11292	1.2
137.09709	1.6
139.11313	2.0
171.10286	33.4
172.10670	1.0
193.12360	11.7
194.12622	1.0
211.13368	2.5
225.14973	13.5
243.16051	5.0
286.07379	0.9
289.17990	2.4
293.21265	3.1
299.85690	0.9
317.58890	0.9
325.23935	1.2
343.24902	100.0
344.25244	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	343.2491
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03451	0.7
59.01374	1.6
68.12377	0.5
69.03445	1.5
70.66120	0.6
83.05013	1.4
97.06599	0.8
99.08172	6.9
121.10227	3.5
125.09731	1.7
127.11344	1.1
128.16734	0.6
133.01706	0.6
137.09724	1.5
144.90106	0.5
148.04016	0.7
166.11508	0.7
171.10280	26.2
172.10635	1.0
175.11342	1.2
193.12329	12.5
196.20143	0.5
197.27419	0.6
201.11298	0.6
211.13380	2.6
224.69847	0.6
225.14970	16.3
225.17039	1.1
226.15309	0.9
243.16032	6.6
293.21326	2.3
311.22443	0.8
329.05472	1.0
343.24908	100.0
344.25241	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.36583	0.5
59.01368	1.6
69.03463	1.0
70.03679	1.0
72.93624	0.5
82.61032	0.5
83.05009	1.1
91.76787	0.6
97.06588	0.9
98.22579	0.7
99.08173	5.9
99.93869	0.5
102.52493	0.5
109.62718	0.5
115.71901	0.5
121.10239	3.9
125.09737	1.7
127.11308	1.0
136.42896	0.5
137.09744	1.8
139.11316	0.9
151.11214	0.8
171.10287	24.8
172.10681	0.9
175.11295	0.6
183.14005	0.6
188.85651	0.5
193.12340	11.5
197.15552	0.8
211.13408	3.3
225.14978	15.6
226.15329	1.1
243.16037	5.8
257.33368	0.6
289.18066	2.4
293.21210	2.0
306.62662	0.6
313.23959	0.5
325.23557	0.7
343.24911	100.0
344.25229	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	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01130	57.8
69.53709	54.3
69.81145	92.6
69.81476	100.0
98.22014	94.8
103.99226	56.8
184.96074	58.6
207.33928	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30418	6.9
59.01389	88.5
62.24707	8.5
70.05009	16.6
71.01382	40.5
73.02966	24.3
74.02486	15.0
78.95912	37.2
87.05661	24.1
87.25845	7.0
88.04037	7.8
89.02457	26.4
90.97144	12.9
96.96999	10.0
101.02442	30.7
111.00894	16.0
123.04531	23.7
132.98228	29.1
134.04765	32.8
141.01799	15.6
142.05144	8.8
143.11980	8.0
143.76500	9.0
144.07727	7.2
145.05109	26.5
147.06622	12.2
159.01454	10.5
163.06209	17.8
165.05539	16.2
174.99234	45.2
182.99734	8.7
183.06656	7.7
184.97739	19.4
186.95541	35.2
187.01080	11.2
190.00368	9.0
198.99257	9.5
201.02724	13.6
202.94411	10.9
202.98775	40.0
203.02419	9.4
205.07097	17.4
206.95038	13.4
211.00148	70.6
213.05272	14.1
217.00421	10.5
224.91461	11.8
226.98808	31.0
229.00261	9.1
240.96817	9.1
248.96080	56.6
252.96667	31.9
285.07864	13.4
290.75403	7.4
290.92929	7.0
290.93585	8.6
290.97119	100.0
301.15237	18.7
304.07944	19.2
315.16907	11.8
318.92181	31.8
338.92770	8.3
344.94650	14.2
345.09219	31.9
345.18027	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	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.43960	0.5
59.01382	2.6
61.80946	0.5
68.64066	0.6
69.76794	1.4
70.05802	0.5
70.89967	0.6
71.01379	1.0
73.02962	0.5
80.05075	0.7
89.15812	0.5
94.06595	0.7
95.03777	1.8
96.08199	0.8
104.05077	1.5
106.06632	5.5
120.04543	0.6
121.02924	0.7
122.06139	2.4
124.07691	16.6
125.08050	1.0
132.04567	40.4
133.05356	47.3
134.06189	6.5
138.05629	0.6
148.04054	1.3
150.05641	2.4
165.04303	11.4
170.57945	0.6
176.03529	0.9
176.07137	0.9
177.04321	7.5
177.43372	0.5
178.05074	2.2
184.07664	0.7
185.08533	0.6
186.09216	4.3
198.09283	1.2
209.03297	2.2
213.06718	5.2
214.12376	7.5
215.11874	8.3
226.07454	1.0
227.08116	0.8
229.09885	4.5
239.11998	0.8
240.10367	1.3
241.09779	3.5
254.07079	0.6
255.11507	0.9
257.12964	25.9
258.13290	1.8
267.06537	0.6
283.10889	8.3
284.11478	0.6
301.11963	19.8
302.12323	1.2
320.89761	0.7
327.09860	1.6
345.10934	100.0
346.11273	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	345.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.1
60.98842	0.8
71.01388	6.6
71.42183	0.9
85.02974	1.8
89.02462	4.8
93.03436	0.9
94.06630	1.3
95.03778	4.0
96.04597	0.9
96.08208	1.6
97.06609	1.4
101.02436	3.5
104.05060	3.6
106.06634	9.1
109.02917	1.1
113.02484	1.9
119.03551	1.6
122.06140	4.3
124.07697	20.8
125.08092	1.2
132.04572	64.4
132.22174	0.9
133.05363	68.1
134.06178	12.6
148.04047	2.4
150.05582	3.0
152.83504	0.9
165.04330	21.1
171.06871	0.9
176.03603	1.7
176.07179	1.8
177.04321	12.7
178.05072	2.8
183.04874	1.0
184.07690	1.9
185.08505	1.8
186.09244	7.8
191.05644	1.5
198.09297	1.5
209.03256	5.7
212.04781	0.9
213.06673	7.2
214.12378	12.5
215.11900	12.0
226.07477	2.1
227.08064	0.9
228.08949	1.1
229.09833	6.3
239.12018	1.2
240.10251	2.7
241.09810	6.6
245.51875	1.0
254.07152	0.8
255.11420	1.3
257.12973	49.8
258.13220	3.2
267.06711	1.7
283.10922	15.4
284.11169	1.1
297.07864	1.1
297.11279	1.5
301.11935	36.2
302.12198	3.0
327.09882	3.0
345.10883	100.0
346.11127	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	345.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10282	0.5
57.46507	0.5
59.01381	2.4
67.49836	0.5
69.52997	1.2
69.53404	1.7
71.01385	2.1
84.31522	0.5
87.00889	2.2
89.02447	1.7
93.03504	0.7
97.90276	0.5
98.01780	0.5
101.02431	0.6
105.03487	1.6
108.02186	1.2
109.02949	2.0
119.03530	1.1
121.02956	1.0
122.03790	2.4
123.04536	27.2
124.04861	0.8
149.02454	1.2
150.01994	0.8
150.03242	33.2
151.04024	100.0
152.04378	3.8
153.05566	1.2
175.63028	0.5
179.05765	0.8
193.05101	1.1
212.94926	0.5
219.81302	0.5
313.09317	11.9
313.12851	0.9
314.09570	0.7
361.14728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1557
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
54.55986	0.8
55.01875	3.7
56.57055	0.9
57.03443	3.4
57.28975	0.9
58.00587	1.4
59.01384	100.0
60.01701	1.3
67.68832	0.9
70.61721	0.9
71.01386	61.1
72.99294	2.2
73.02950	12.2
80.16713	0.9
83.01399	8.1
85.02956	19.9
87.00880	2.3
89.02453	36.1
95.01393	4.4
98.08677	0.8
99.00890	5.3
100.98952	0.8
101.02448	42.7
113.02460	22.8
114.02840	0.9
118.98103	1.7
119.03515	18.0
121.10256	11.7
122.10490	1.0
132.04561	1.9
133.05344	2.9
139.03995	1.2
139.11296	3.8
141.60217	0.8
143.03496	1.5
159.02974	1.3
161.04581	6.7
164.03549	8.2
165.03926	10.0
165.09192	2.2
170.99625	0.9
177.78871	0.9
179.05687	1.6
181.45155	1.0
183.10294	29.6
184.10614	1.5
186.09273	1.1
259.95328	1.0
301.12158	1.3
301.16525	1.9
345.10922	5.2
345.15546	73.1
346.10257	1.1
346.15939	6.6
361.55130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67410	9.7
62.41531	7.4
64.87249	7.7
67.31430	6.8
69.39889	39.7
85.15768	7.7
109.86474	7.4
133.01700	38.1
140.87303	8.2
143.38936	8.0
148.00438	10.3
180.03030	24.5
195.05339	18.0
240.02946	17.4
247.03210	8.1
248.10391	11.2
284.01993	29.4
291.19678	26.4
299.04425	60.5
309.20773	100.0
314.06882	53.0
331.06998	31.6
343.15628	8.8
345.17047	14.0
346.09259	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.184
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32911	83.1
76.64698	14.4
78.54139	14.1
79.40803	15.3
81.08660	14.3
81.77564	17.4
91.49383	16.2
96.90932	16.7
98.22666	23.9
100.41769	14.1
180.03038	38.8
183.07716	16.3
195.05357	66.6
219.73212	20.4
248.40392	17.2
284.01978	45.2
291.19705	73.1
299.04367	38.8
309.20670	100.0
314.06763	76.0
330.06064	22.7
346.09500	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12753	17.8
59.01363	29.8
69.54422	92.8
82.23929	20.9
98.22663	37.0
122.81633	19.9
133.01698	56.6
134.02518	21.6
148.00400	27.4
148.03978	24.9
169.92532	23.2
180.03017	55.8
195.05325	35.2
208.80457	21.0
277.18097	44.7
284.02005	43.9
291.19672	36.0
298.03232	25.4
299.04324	87.1
299.16275	92.7
306.24744	22.2
309.20825	33.1
314.06812	100.0
331.06979	32.0
345.08383	63.1
346.09195	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	66.6
60.01717	6.7
61.01808	2.0
61.98835	100.0
69.11395	1.6
69.11819	1.8
86.82719	0.4
98.21895	1.3
105.37800	0.5
138.39984	0.5
157.03604	0.6
158.03743	1.7
159.01486	0.5
159.03299	2.7
160.01561	1.2
160.97661	0.7
174.99211	2.2
175.99698	0.7
180.18562	0.5
182.09911	0.5
184.00916	0.7
188.00522	1.2
201.02605	8.6
202.02754	25.1
202.98840	4.5
203.02307	30.6
203.98276	5.6
203.99956	36.3
204.02663	8.5
205.00105	2.4
205.02869	1.0
262.24478	0.5
346.03720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57366	0.6
53.88342	0.7
65.99860	2.4
69.03468	0.9
69.50893	3.2
94.03014	0.8
95.01396	7.9
98.21895	0.6
103.39767	0.6
107.01431	1.2
120.00935	2.0
122.02517	4.8
123.00906	13.3
123.03291	0.7
133.01712	88.0
134.02042	2.3
134.99651	1.0
135.00861	1.7
139.02687	0.9
148.00446	8.4
148.04059	100.0
149.01204	9.2
149.04382	4.7
149.99622	6.0
150.01967	2.0
151.00346	1.4
151.02759	2.3
164.03563	1.0
166.01534	4.6
180.03040	74.2
181.03819	14.9
184.04036	1.8
195.05376	2.6
196.04233	1.4
196.06154	9.1
197.02452	1.1
207.01692	2.6
210.04095	9.5
212.03545	12.1
213.01982	9.2
213.04008	1.4
215.99283	1.4
222.04068	2.3
228.00761	1.2
228.02953	2.1
238.05128	1.4
240.03036	12.3
241.01413	10.7
241.03632	0.5
242.01830	1.1
243.06537	0.9
255.05385	17.1
256.00085	1.4
256.03986	3.6
257.03448	0.9
258.04077	1.3
270.07767	8.5
271.04987	1.0
279.87146	0.9
284.02039	13.6
287.08118	0.7
299.04370	29.0
300.04529	2.4
314.03259	3.6
314.06702	58.3
315.06946	4.5
316.04678	17.1
317.04883	1.8
331.06992	27.4
332.07257	2.8
346.05551	20.7
346.09308	25.0
346.66962	0.7
347.05859	2.1
347.09598	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	346.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98218	0.6
69.03436	0.8
70.59433	0.5
91.01886	2.9
94.02997	0.8
97.02897	0.6
105.02220	2.9
107.88095	0.6
121.01675	0.7
122.02497	6.5
123.03252	2.1
133.01707	44.8
134.02518	14.8
135.00909	2.8
136.04047	8.5
148.00443	5.0
148.04057	52.6
149.01187	1.6
149.04471	1.3
151.02751	6.3
152.03552	3.8
152.20389	0.5
165.00667	6.9
166.01465	6.0
170.91072	0.6
179.68486	0.5
180.03035	33.9
181.03813	15.9
195.05380	27.3
196.06165	5.7
212.03558	1.5
213.01927	1.0
240.03018	7.4
241.01515	1.3
255.05418	1.3
256.02628	2.7
256.06143	0.8
271.04901	1.5
284.02039	8.4
298.03442	1.0
299.04373	39.7
300.04843	3.9
313.85571	0.6
314.06720	100.0
315.07028	8.7
316.04596	4.3
331.06985	14.2
332.07272	1.2
345.25647	1.5
346.09320	42.3
347.09543	4.2
349.58743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.5
71.40305	1.2
76.12444	1.0
79.01899	3.4
84.07718	0.8
90.22943	1.0
94.02999	0.9
94.93277	1.0
97.02953	2.3
107.00169	1.6
107.01408	3.3
122.02520	5.6
125.02449	3.2
133.01706	55.3
134.02069	2.6
134.99677	2.8
135.00894	8.9
136.04062	6.9
139.02814	1.0
148.00409	11.7
148.04042	7.3
150.01965	3.5
151.02776	3.2
152.03549	2.4
154.38289	1.0
159.81891	0.9
162.99118	1.5
165.00639	5.2
166.01469	3.5
167.02267	1.0
171.72955	0.9
180.03035	35.9
181.03842	10.5
185.02473	1.1
189.89226	0.8
195.05382	26.2
196.02531	1.0
196.06044	2.6
210.04070	18.6
211.04443	1.3
212.03494	5.1
213.01906	8.9
229.01431	1.8
240.03030	19.4
241.01459	4.8
241.03662	1.8
255.05400	1.4
256.02676	0.9
284.02026	47.1
285.02423	3.6
288.05225	1.1
298.03540	1.3
299.04379	100.0
300.04675	10.4
300.40112	0.9
314.06717	96.3
315.07050	9.4
316.04654	11.3
331.06998	52.7
332.07321	3.5
346.05807	2.3
346.09344	41.4
347.09586	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	346.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29505	0.3
65.99844	0.4
66.14561	0.3
69.03455	6.6
79.01893	3.4
93.02213	0.7
94.02975	0.7
97.02952	3.2
107.01406	4.5
108.02166	0.5
108.04576	0.7
109.02931	0.6
121.01703	0.8
123.00895	0.4
125.02455	3.5
133.01711	9.6
134.02490	100.0
135.00894	5.6
135.02852	3.4
136.04039	6.6
148.00415	16.9
149.00728	0.7
152.03532	3.1
163.02786	0.7
165.00684	6.8
166.01103	0.4
174.62996	0.3
180.03030	27.7
181.03360	1.7
184.04031	1.2
195.05371	15.1
196.05719	0.6
197.02515	0.4
212.03481	3.8
213.01944	3.3
213.03833	0.6
227.03540	1.2
229.01286	0.4
240.03017	8.1
241.01418	2.2
241.03412	0.7
242.01933	0.3
254.04601	0.8
255.05438	0.9
256.04099	2.4
257.03354	0.6
271.06161	0.6
272.05859	0.4
284.02017	11.8
285.02594	0.9
298.03528	0.5
299.04355	27.5
300.04724	2.6
314.06711	99.6
315.07047	10.9
316.04584	3.6
331.06973	11.5
332.07388	1.0
337.11432	0.3
346.09286	24.7
347.09604	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	346.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	4.3
79.01892	2.4
94.02975	0.8
95.01424	0.6
97.02975	2.1
107.01395	4.3
108.02191	0.9
108.04581	0.7
119.13805	0.4
120.00910	0.9
122.02505	4.4
123.03335	0.9
125.02469	3.3
133.01707	52.4
134.02333	1.4
135.00897	9.7
136.01282	0.5
136.04045	6.5
137.04480	0.5
145.02946	0.7
148.00430	8.9
148.04054	7.1
149.00970	0.6
150.64342	0.5
151.02757	2.8
152.03532	3.9
165.00696	7.0
166.01457	3.6
167.01826	0.5
170.96622	0.4
180.03040	34.4
181.03813	11.6
184.04030	1.0
195.05383	26.1
196.05835	2.7
207.01653	0.4
212.03539	4.7
213.01938	7.9
214.02437	0.6
228.02835	0.7
229.01411	1.5
240.03047	17.6
241.01428	4.5
241.03542	1.8
255.05424	0.9
256.02560	1.9
257.03308	1.4
274.03833	0.5
284.02036	43.3
285.02435	3.9
298.03583	1.2
299.04370	100.0
300.04800	10.1
314.06732	90.7
315.07074	8.6
316.04623	9.4
317.04770	0.5
331.06989	49.5
332.07355	4.2
346.09320	42.2
347.09695	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	346.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29643	1.2
69.03439	2.7
74.90785	1.3
79.01905	3.3
97.02948	2.4
98.21872	2.6
99.23822	1.3
107.01388	5.6
122.02488	6.0
125.02456	1.6
133.01718	67.2
134.02071	2.9
135.00893	8.3
136.04057	8.2
148.00438	12.8
148.04068	9.2
151.02756	3.3
152.03522	3.2
165.00742	7.4
166.01447	2.7
180.03052	41.1
181.03796	11.5
184.04042	1.5
195.05379	23.1
196.05943	3.6
212.03571	7.8
213.01936	11.8
229.01447	3.1
240.03069	17.5
241.01418	4.0
241.03653	2.7
255.05556	1.8
256.02539	2.1
283.98831	2.3
284.02017	49.0
285.02798	2.8
299.04376	100.0
300.04871	10.4
314.06729	80.1
315.07077	6.3
316.04691	9.2
331.07034	47.4
332.07324	5.3
346.05215	2.3
346.09366	36.4
347.09534	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	346.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
65.99859	1.3
69.03465	0.6
73.02943	0.6
78.74207	0.6
95.01411	0.5
107.01392	1.1
108.02205	0.7
120.00910	1.1
121.01775	0.6
121.28171	0.5
133.01707	74.5
134.02000	2.7
135.00894	1.6
148.00371	2.4
148.04059	100.0
149.01205	7.6
149.04433	4.1
164.03519	1.1
164.47888	0.6
169.74071	0.5
180.03035	68.4
181.03543	3.2
184.04042	0.8
184.55653	0.6
185.02448	0.8
195.05403	2.0
196.03975	0.7
197.02525	0.6
211.02870	0.6
212.03548	9.1
213.01967	8.0
213.03920	1.1
238.05153	1.5
240.03052	10.6
241.01404	8.9
241.03395	1.1
243.06523	0.9
254.04509	0.8
255.05377	18.5
256.03766	2.8
267.67044	0.6
270.07755	6.3
271.04840	0.9
271.08102	0.6
274.36279	0.6
282.04141	1.0
284.02020	12.2
285.02332	1.8
285.35950	0.6
287.08221	0.7
299.04364	24.9
300.04822	1.2
314.06720	53.7
315.07031	5.2
316.04633	17.4
317.04868	1.6
317.08646	0.6
331.07004	26.0
332.07263	2.7
346.09314	25.5
347.09644	2.2
347.16815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
62.95522	0.4
69.03459	4.9
79.01904	3.0
94.02981	0.6
95.01394	0.5
96.95990	0.3
97.02959	3.1
107.01402	3.9
108.04594	0.8
109.02937	0.6
116.84051	0.3
118.90178	0.3
120.00925	0.4
123.00876	0.4
125.02457	3.5
133.01701	8.4
134.02493	93.4
135.00899	6.7
135.02852	3.0
136.01215	0.4
136.04053	5.6
146.24774	0.4
148.00417	14.1
149.00764	0.6
152.03499	2.8
163.02742	0.9
165.00676	4.7
180.03035	23.9
181.03471	1.0
184.04047	0.8
195.05382	13.7
196.05884	1.0
212.03510	2.9
213.01927	2.8
213.03801	0.4
217.08806	0.4
226.02768	0.4
227.03525	0.4
229.01512	0.4
240.03014	6.7
241.01402	2.0
254.04543	0.5
255.05287	1.4
256.03647	2.8
257.03418	0.5
270.07623	0.4
271.05920	0.6
272.05685	0.5
280.22058	0.4
284.02014	11.4
285.02527	1.8
298.03464	0.4
299.04370	29.2
300.04764	2.9
314.06717	100.0
315.07031	8.9
316.04596	4.2
323.90274	0.4
331.06982	11.0
332.07135	0.8
334.64389	0.4
346.09308	26.7
347.09848	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	346.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99839	2.1
73.32587	0.3
91.01908	0.6
94.92520	0.4
105.02193	1.9
121.01685	1.4
122.02464	0.7
123.00854	0.5
123.04501	0.4
123.21998	0.3
133.01706	38.5
134.02432	2.0
146.02477	0.4
148.00389	1.4
148.04056	100.0
149.01198	21.0
149.04402	3.9
150.01477	0.8
159.00259	0.4
164.03551	0.5
180.03036	35.6
181.03755	3.9
185.02431	0.8
195.05400	3.0
196.05994	0.6
197.02443	1.0
212.03525	0.8
213.01950	4.0
223.02821	3.5
224.03719	0.3
228.02922	0.5
238.05087	4.8
240.03033	2.0
241.01457	7.5
242.01826	0.4
255.05498	2.4
256.03891	3.2
257.03360	0.5
270.07660	2.8
271.04843	0.4
273.04007	0.5
282.04004	0.7
284.01874	0.7
285.97159	0.3
298.03812	0.4
299.04382	14.3
300.04694	1.4
314.06732	33.9
315.07068	3.1
316.04663	4.5
331.07016	7.6
332.07144	0.5
346.09323	23.6
347.09845	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.7
57.78611	4.6
57.98491	4.2
59.01383	85.1
69.69242	13.2
71.01385	72.8
73.02956	53.8
78.95906	10.0
81.13531	5.0
81.16366	4.7
82.54594	5.4
83.01361	8.0
84.72943	4.4
85.02972	29.9
87.00857	4.6
89.02457	100.0
99.00901	33.6
101.02463	97.8
111.00883	36.6
113.02461	44.0
119.03516	21.4
123.04533	22.9
129.02003	11.4
131.03522	68.9
135.04538	5.4
142.99852	10.3
149.04573	57.7
160.84225	12.3
161.04555	18.5
162.05690	7.5
166.97531	7.7
167.03511	16.3
173.00980	7.9
179.05602	54.1
184.97672	13.7
189.05623	7.9
191.05621	23.8
210.96559	11.0
212.41739	4.9
221.06694	9.5
226.98679	6.3
233.06598	12.9
250.94563	19.6
260.90829	5.7
286.88696	12.3
293.08804	11.1
302.90109	7.9
311.10040	5.2
347.07648	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.7
57.78611	4.6
57.98491	4.2
59.01383	85.1
69.69242	13.2
71.01385	72.8
73.02956	53.8
78.95906	10.0
81.13531	5.0
81.16366	4.7
82.54594	5.4
83.01361	8.0
84.72943	4.4
85.02972	29.9
87.00857	4.6
89.02457	100.0
99.00901	33.6
101.02463	97.8
111.00883	36.6
113.02461	44.0
119.03516	21.4
123.04533	22.9
129.02003	11.4
131.03522	68.9
135.04538	5.4
142.99852	10.3
149.04573	57.7
160.84225	12.3
161.04555	18.5
162.05690	7.5
166.97531	7.7
167.03511	16.3
173.00980	7.9
179.05602	54.1
184.97672	13.7
189.05623	7.9
191.05621	23.8
210.96559	11.0
212.41739	4.9
221.06694	9.5
226.98679	6.3
233.06598	12.9
250.94563	19.6
260.90829	5.7
286.88696	12.3
293.08804	11.1
302.90109	7.9
311.10040	5.2
347.07648	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1716
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01886	1.4
57.03452	0.9
59.01386	29.4
65.02267	0.6
69.03439	0.6
69.33843	1.2
69.34246	1.9
71.01392	16.9
72.99310	0.8
73.02955	4.7
83.01404	4.0
85.02959	7.4
86.00135	0.6
87.00898	1.4
89.02450	8.5
95.01399	1.3
97.02930	0.6
99.00891	1.6
101.02458	12.4
109.95267	0.5
113.02469	5.9
119.03506	3.5
125.09744	2.4
129.01964	0.6
135.04535	0.6
136.78183	0.5
139.11349	4.3
141.12874	1.3
147.04529	0.6
161.04526	1.0
164.07141	0.5
167.10823	1.4
173.06114	0.7
185.11853	28.1
186.12158	1.6
202.06310	0.5
215.07095	0.7
216.07895	0.6
217.08588	0.7
259.10046	0.6
298.44135	0.5
347.17133	100.0
348.06995	0.6
348.17419	9.1
356.10229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.08088	0.6
57.20688	0.7
57.78102	0.7
59.01384	100.0
60.01731	0.7
71.01389	49.0
72.01721	0.7
72.99315	1.2
73.02965	1.1
83.01412	1.8
85.02963	8.2
87.00903	1.6
89.02453	57.4
89.54018	0.7
90.02817	0.7
94.49837	0.7
95.01411	3.6
97.02971	0.9
101.02453	25.5
101.03104	1.3
102.02864	0.6
107.56400	0.8
113.02461	18.0
119.03510	23.3
131.03539	3.4
142.96175	0.8
143.03497	3.8
146.25177	0.6
149.04594	2.2
161.04556	1.8
167.10805	11.0
179.05609	4.9
216.07922	0.9
347.07904	1.0
347.17151	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	347.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36516	9.3
69.51698	18.9
69.52086	10.6
72.88914	8.3
96.06717	8.2
96.96078	7.5
100.62507	7.5
114.44311	7.5
126.64395	7.1
133.01686	25.3
134.02098	24.1
135.00955	8.1
163.28110	9.3
166.01196	8.6
180.03027	20.7
181.03487	14.9
195.05528	13.0
196.05766	9.9
214.02267	11.1
241.03384	16.9
285.02322	38.4
293.21652	8.7
299.04449	23.0
300.04703	72.4
311.22366	43.1
315.07071	100.0
317.04987	10.4
332.07294	32.4
347.09775	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	347.2232
Annotation	Kolavic acid 15-methyl ester
Peak:m/z	Relative Intensity
60.92595	0.2
64.21605	0.3
68.34531	0.3
69.42941	0.3
74.12269	0.3
98.22626	0.6
102.37837	0.3
123.08146	0.4
133.01682	0.3
164.08455	2.3
165.09233	0.7
177.09261	0.5
191.07076	0.5
193.30235	0.3
196.07378	0.4
215.07120	0.3
215.10707	0.4
229.08698	0.8
231.10237	0.4
243.10280	3.2
244.11032	3.4
257.11838	0.9
271.16962	0.4
272.14236	1.2
272.17545	0.6
276.51498	0.3
283.16644	0.3
285.15155	0.3
299.16537	1.3
300.04709	0.5
300.17142	1.7
314.18887	0.5
315.19662	100.0
316.20023	9.8
332.06912	0.4
347.18521	0.9
347.22202	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	348.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04854	0.3
59.01129	0.5
59.01386	5.9
67.80982	0.4
69.34376	1.6
71.01077	0.3
71.01381	3.6
71.93906	0.3
72.99297	0.5
73.02923	0.8
75.00887	0.5
79.93938	0.6
79.95744	7.8
80.96524	2.7
85.02935	1.6
89.02470	2.5
93.03443	1.3
95.01399	0.5
96.04530	0.5
99.00861	0.5
99.04524	0.4
101.02434	1.6
105.65596	0.4
109.02946	0.8
113.02423	1.1
119.03492	1.0
119.04992	0.4
125.09666	0.5
132.04520	0.6
133.02969	2.6
134.02461	0.7
135.04529	3.1
139.02792	0.5
146.03764	0.5
146.06094	0.4
147.03238	2.1
148.04022	0.5
150.27939	0.4
160.04048	5.3
161.04768	1.9
162.05623	17.2
163.05978	0.9
168.06718	0.8
169.08728	1.0
171.98454	0.5
173.08235	0.4
174.05585	4.2
175.06403	7.4
176.06848	0.4
177.01865	1.0
186.05580	0.5
189.04343	0.4
190.05060	0.9
217.10844	1.0
226.08742	0.5
239.06654	0.4
250.08768	0.5
252.06703	1.2
253.07388	0.8
266.08286	1.1
268.09796	100.0
269.10153	9.4
289.56827	0.4
348.05475	68.0
349.05801	6.4
349.10040	0.6
349.10864	0.6
349.14978	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	348.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
59.01367	0.7
67.00806	0.6
67.01889	0.7
69.03446	1.7
79.01890	2.1
85.02936	0.9
95.01394	48.1
96.01759	1.0
97.02945	1.1
98.22659	1.9
107.01401	43.9
108.01747	1.2
113.04543	0.5
122.99993	1.1
123.00887	14.9
148.00436	0.9
149.01192	3.1
149.99600	1.4
150.01959	3.5
151.00381	100.0
152.00720	3.2
166.01474	0.9
169.01443	11.2
182.04582	1.3
185.32594	0.6
200.03339	0.5
212.03604	0.9
218.00827	1.2
228.03011	1.0
229.03712	0.9
240.03044	2.1
257.03314	2.4
258.01733	2.1
272.05664	1.1
273.03760	0.9
300.48154	0.6
301.02182	1.0
314.22678	0.6
316.00949	0.9
316.04636	14.1
317.04840	1.1
333.04977	1.1
348.07254	58.9
349.07654	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	348.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.9
59.37274	0.5
61.23157	0.5
61.59753	0.5
65.99830	1.2
67.36623	0.5
67.43261	0.5
69.83399	1.2
71.01374	0.7
97.99673	0.5
109.01692	2.5
117.03440	0.8
121.02939	2.4
133.01746	2.6
134.02493	18.7
135.04460	0.6
135.61827	0.5
136.00401	1.2
137.01154	2.8
137.02235	0.8
145.02950	0.9
146.03709	1.5
154.91800	0.6
158.03711	0.8
163.03990	2.1
163.99872	0.6
164.04756	1.8
164.99309	0.8
165.00694	16.2
166.01299	0.8
172.04034	0.6
173.04820	2.4
174.01889	0.6
174.03233	1.0
178.22563	0.5
183.03256	1.0
184.04036	1.0
185.04779	2.1
199.02711	1.0
200.03540	2.6
201.04268	3.5
206.00920	2.1
211.04291	0.6
212.03413	3.1
216.03047	1.8
228.03058	6.5
229.01459	1.4
229.03772	4.9
230.02066	1.3
240.03041	1.0
243.10275	0.7
244.02568	0.9
256.02505	11.4
257.03296	34.7
258.01575	9.4
258.03699	1.1
272.02029	0.8
272.05518	0.5
273.02795	1.6
283.01297	0.9
301.02289	86.8
302.02640	6.3
316.04626	100.0
317.05042	7.4
348.07272	1.1
349.20151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98835	100.0
62.98539	0.9
63.99262	1.9
69.77928	0.7
69.78252	1.3
97.79429	0.6
107.34167	0.5
118.99330	0.9
124.63659	0.5
145.21748	0.5
151.41827	0.5
178.98630	0.6
190.85237	1.0
190.97891	0.8
204.00069	2.1
205.00165	6.5
205.96417	0.6
205.99718	8.3
206.97473	37.2
207.93512	0.9
207.97566	2.7
294.96573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02663	2.1
59.01383	43.2
70.17714	5.4
71.01391	17.0
85.02955	7.3
87.00863	3.0
89.02461	24.0
91.03551	2.3
92.50699	2.4
98.22522	3.3
99.04620	3.1
100.91277	2.2
101.02480	11.6
107.05017	2.7
109.54204	2.2
113.02464	6.2
115.11377	2.3
117.05466	2.3
119.03517	7.2
123.04524	22.9
127.03968	2.8
129.51767	2.1
131.03540	3.0
150.03255	21.7
151.04028	100.0
152.04343	4.5
161.04576	7.8
179.05634	8.1
189.05598	5.5
202.97121	2.5
267.10934	3.5
313.09247	24.4
349.14771	7.6
355.39951	2.5
359.80258	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00142	1.0
56.40954	0.9
59.01384	12.7
66.55191	0.8
67.39508	0.8
69.11007	6.1
70.13350	0.9
71.01385	3.8
73.02949	2.3
74.12296	1.0
77.88872	0.9
85.02957	3.0
87.00889	100.0
87.04530	1.2
88.01269	1.4
89.02427	1.8
93.03448	1.4
97.06624	5.0
98.22673	2.0
101.02415	1.7
105.24445	1.0
107.05025	2.7
112.05350	0.9
113.02451	1.4
117.03491	5.2
121.02956	11.4
122.03753	3.8
130.04314	1.1
130.99870	2.7
131.05061	1.8
135.04518	4.1
137.98349	1.7
143.96873	1.0
145.02969	35.4
146.03670	3.7
147.04544	2.5
149.06056	4.2
159.04562	6.9
161.02489	2.4
162.03230	6.7
163.04050	6.8
164.04788	4.4
170.84111	0.8
172.05321	1.9
173.06078	3.2
174.03200	1.9
175.03954	1.0
175.07622	1.7
180.02972	2.5
187.03976	3.1
188.04842	5.3
189.05594	1.9
189.09161	4.8
191.10759	2.0
195.05351	1.8
199.07666	1.7
201.05588	1.0
201.09160	1.9
202.06396	1.7
203.07199	2.2
208.09227	0.9
215.10855	2.2
216.07704	0.9
217.08748	13.0
217.12300	2.3
219.10191	1.2
225.09195	1.1
233.11842	2.6
242.32051	1.0
243.10310	24.2
244.10500	1.7
245.08253	1.4
259.09872	2.0
261.11374	8.1
287.09207	1.8
287.22345	1.1
331.08185	5.6
341.61298	1.0
348.27585	2.3
349.09796	7.6
349.20651	6.6
349.27884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	3.8
59.01384	22.2
59.19086	1.3
61.78429	1.6
62.75725	1.7
71.01386	12.0
73.02938	2.7
83.01409	1.9
85.02949	5.7
87.00878	41.6
89.02461	5.5
97.06608	3.7
101.01896	1.7
101.02439	9.3
106.61324	1.8
109.02917	1.5
109.71513	1.4
111.00861	2.0
112.98831	2.0
113.02455	5.7
117.44882	1.8
119.03507	4.3
123.04510	4.4
146.03740	9.4
147.04523	3.6
149.06129	2.1
155.80269	1.4
159.03284	1.8
159.04521	7.2
161.04655	3.0
161.06113	5.5
162.03201	2.1
162.06882	1.8
163.04001	5.4
163.07620	3.2
164.04839	7.7
172.05341	2.9
173.02396	4.0
173.06143	8.9
173.09729	1.6
174.03278	11.5
174.06828	11.3
175.03969	3.0
175.07643	10.4
182.52931	1.5
185.06020	2.5
186.06802	4.7
187.04016	5.8
187.07596	5.3
187.09715	1.5
188.04802	50.8
189.05574	17.4
189.09242	2.5
199.07648	4.5
201.05615	7.7
202.06366	10.2
203.07164	25.3
204.07903	9.3
205.08623	2.3
214.06354	8.4
217.08711	100.0
218.09053	7.2
219.10291	4.3
225.09352	2.9
232.07491	2.9
243.10289	22.3
245.08104	1.7
259.09741	4.3
261.11340	22.2
262.11658	2.0
269.08090	3.0
271.05960	2.0
287.09067	1.9
313.07294	2.0
331.08185	5.3
349.09464	15.5
349.13556	2.2
349.18494	4.7
350.09787	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1555
Annotation	Isostrychnine N-oxide
Peak:m/z	Relative Intensity
54.80270	2.0
59.01408	1.7
66.40957	1.7
69.63356	4.6
69.63739	3.8
71.16122	1.9
75.00877	18.9
77.06540	2.3
91.53137	1.7
92.58078	1.9
163.11290	2.3
165.12862	23.6
247.20708	11.2
273.18564	7.3
291.19708	69.1
292.20007	7.0
313.17896	2.6
316.19708	2.1
317.20090	4.0
349.15540	100.0
350.15796	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	349.187
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
51.18022	0.8
53.48083	0.6
55.01883	2.1
56.31748	0.6
57.03454	3.2
58.00599	1.3
59.01383	100.0
60.01717	0.9
69.03454	1.0
71.01388	63.0
71.43957	0.8
72.01736	0.8
72.99329	1.9
73.02949	7.5
75.00924	0.8
83.01391	4.5
85.02959	15.2
87.00889	2.4
87.04530	1.6
89.02454	52.8
90.02817	1.4
95.01406	4.7
99.00919	2.0
101.02446	35.5
113.02460	24.3
119.03519	20.7
122.73000	0.7
125.02465	1.0
130.23703	0.7
131.03531	2.1
135.04575	1.3
143.03571	3.7
149.04599	1.7
159.03064	1.4
161.04585	12.9
169.08740	1.1
179.05627	4.7
179.21136	0.9
187.04156	0.9
187.13445	5.9
202.06467	2.2
217.08752	4.1
250.52357	0.7
267.25436	0.8
267.42700	0.7
349.15042	3.0
349.18866	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	350.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80031	0.6
57.77199	0.6
59.99924	0.6
62.49574	0.6
69.57824	1.4
69.58215	1.5
71.58767	0.7
71.62926	0.6
74.19647	0.6
76.05039	0.6
77.18437	0.7
79.86619	0.6
79.95735	2.7
82.75864	0.7
89.71860	0.6
91.01881	1.9
91.53391	0.6
96.96017	0.9
105.02253	0.7
106.02999	1.0
121.02989	0.6
134.02489	7.9
150.01941	2.0
155.52890	0.7
165.04297	1.7
166.06628	1.5
181.05345	1.1
182.06129	0.7
194.06105	1.5
197.96135	0.6
209.04829	4.5
210.05612	26.0
211.06375	13.8
212.06827	0.7
238.05121	75.5
239.05441	5.8
255.05341	4.2
270.07733	100.0
271.08041	8.0
350.03418	66.5
350.09738	1.1
351.03784	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	350.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63309	0.5
57.03443	1.7
59.01381	9.6
61.98830	1.5
67.01910	1.1
69.47234	2.4
71.01380	4.9
73.02950	0.6
81.03444	0.7
85.02950	2.4
85.06549	0.5
87.00875	1.6
87.02738	0.9
89.02455	3.1
90.96326	0.6
93.03494	3.3
99.04534	1.7
101.02441	3.6
107.05044	0.8
108.02188	3.3
109.02965	14.9
111.04513	1.2
113.02464	2.2
115.66240	0.5
119.03499	1.6
123.04507	0.9
124.04023	0.8
127.04117	0.7
129.05577	1.7
133.02948	6.4
134.02492	5.4
135.00868	1.0
135.02904	0.6
135.04509	2.9
144.04539	0.7
150.03217	0.7
150.94821	1.4
151.02774	8.4
151.03926	0.7
152.03545	100.0
153.03845	3.6
153.05620	1.2
153.71552	0.5
159.60741	0.5
173.04527	3.3
174.07735	0.6
175.06165	1.3
177.01982	2.9
179.05605	0.8
189.05591	1.0
191.05603	4.6
192.95857	9.5
215.05579	3.9
252.61388	0.5
314.08838	35.1
315.08771	2.8
327.05188	0.6
350.18201	8.1
351.07071	1.7
351.12955	2.5
351.18515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11039	0.3
59.01384	3.9
71.01382	0.9
71.01749	0.3
85.02968	0.6
87.00890	0.4
89.02446	0.8
90.65250	0.3
93.03445	0.7
101.02432	0.6
109.02936	0.6
133.02936	1.5
142.63242	0.3
144.04562	100.0
145.04921	4.8
150.94827	2.2
152.03613	0.4
161.04538	0.3
173.04503	0.8
177.01935	0.7
187.08060	0.3
191.05614	1.0
192.95868	17.4
215.03366	0.3
215.05609	0.8
235.99982	0.4
263.02423	1.3
306.09930	0.7
345.05890	0.3
349.08719	0.3
350.95001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.9476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64884	6.7
59.01385	12.5
71.39239	8.6
74.68685	7.8
78.70243	7.9
150.94795	22.3
156.47093	7.6
192.95863	100.0
291.35373	8.5
303.16736	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	351.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	2.1
59.01385	40.7
60.37389	1.2
67.26675	1.2
69.63840	4.9
71.01388	20.1
73.02926	1.6
85.02954	1.9
88.95007	1.2
89.02451	20.0
93.79550	1.2
95.01366	1.2
101.02456	16.5
105.03476	1.8
109.87598	1.4
113.02438	8.0
119.03533	8.7
123.04546	2.9
133.03000	10.6
135.04547	35.1
151.04025	2.7
153.05582	2.7
173.04601	3.2
177.01910	3.8
179.05626	3.0
184.34680	1.2
231.53210	1.4
268.24673	1.6
306.62094	1.4
315.10883	100.0
316.11240	7.3
351.07608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1087
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
57.03452	1.5
59.01359	1.4
69.03452	3.5
69.37441	6.6
71.01395	1.4
73.60892	1.3
85.02964	2.5
87.00883	68.3
97.06606	10.3
101.02448	1.8
103.27197	1.6
107.69073	1.5
115.00414	2.0
116.45299	1.3
121.03000	6.7
122.03756	3.1
123.04565	6.1
130.56946	1.3
130.99864	13.9
132.00682	4.3
146.03786	13.8
147.04567	7.6
149.06033	4.3
157.06573	1.7
159.04449	3.2
160.05319	2.4
161.06128	3.5
162.06873	3.8
163.07642	3.4
172.05350	9.6
173.06111	5.7
173.68866	1.5
174.03212	6.2
174.06822	2.9
175.04008	4.8
175.07668	42.2
175.09216	2.3
176.04764	4.0
176.07994	2.2
185.06216	1.4
186.06935	7.7
187.07663	10.9
188.04829	5.9
189.05573	5.1
189.09206	2.0
190.06357	12.5
191.06924	1.7
191.10751	4.1
192.04248	1.3
197.05902	1.3
199.07722	1.7
200.04810	15.8
200.08527	3.1
201.05486	3.1
201.09235	15.5
202.06299	1.5
202.09610	1.5
203.07164	12.4
204.07919	8.5
211.07721	3.1
214.06392	3.1
215.07172	5.7
216.04356	1.5
216.07938	1.9
217.08675	13.3
219.10309	27.4
227.07211	2.3
227.10805	7.3
228.07936	4.7
229.08713	64.7
230.09059	5.3
243.10365	3.5
245.08270	8.2
245.11842	6.7
247.09793	8.0
254.04337	5.6
261.11234	3.2
271.09827	4.4
273.04724	2.2
273.07712	41.3
274.08008	4.1
289.10861	6.0
291.08823	1.8
333.09802	15.9
351.10867	100.0
352.11230	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	351.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
69.03457	3.9
69.32713	5.2
69.33119	2.9
69.36165	1.7
71.01359	1.7
84.11172	1.3
87.00887	61.3
97.06617	10.7
98.22650	3.4
115.00382	2.1
115.88371	1.5
121.02961	8.2
122.03770	2.3
123.04541	9.0
130.99895	12.5
131.62866	1.3
132.00577	1.4
143.43680	1.5
144.31142	1.6
146.03737	14.3
147.04558	9.6
148.05338	2.8
149.06078	4.5
159.04507	3.5
160.05341	3.5
161.06064	2.8
162.06883	3.1
163.07677	3.8
172.05264	11.8
173.06078	4.3
173.09737	1.6
174.03232	7.3
174.06847	2.1
175.04028	5.8
175.07663	41.5
176.04796	3.5
176.08124	2.1
182.27487	1.6
185.06082	2.1
186.06894	7.4
187.07594	9.8
188.04832	4.7
189.05563	6.4
190.06349	12.4
191.06877	1.5
191.10815	3.1
200.04765	20.4
200.08435	2.7
201.05457	3.6
201.09239	16.9
203.07190	12.4
204.07909	7.4
215.07108	4.4
216.08002	1.8
217.08768	11.5
219.10278	22.1
227.10779	7.9
228.07875	2.4
229.08707	60.2
230.09065	4.3
243.10338	4.7
245.08282	9.4
245.12056	3.4
247.09732	6.6
254.04378	5.2
261.11276	2.6
271.09863	4.1
273.07739	42.6
274.08060	3.9
289.10913	7.2
291.08817	2.6
333.09839	14.2
351.10873	100.0
352.11099	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	351.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03135	2.0
55.01863	3.0
57.03456	5.1
59.01386	100.0
67.01876	2.4
69.03480	2.3
71.01388	34.2
73.02967	11.6
75.00872	7.3
77.52820	1.8
83.01389	2.7
83.05029	2.6
85.02966	13.6
87.00880	8.0
87.04520	3.8
88.80517	2.1
89.02465	17.2
93.03486	13.5
95.01413	2.8
95.05060	3.7
97.21478	2.7
98.02487	8.3
99.04528	4.1
101.02458	16.9
101.06119	2.1
105.03484	5.9
108.04576	2.5
109.02951	2.9
110.02485	16.7
111.04527	5.1
112.04036	5.0
113.02457	11.2
119.03520	7.9
121.05323	3.5
122.06117	8.9
123.04539	5.6
124.04063	5.6
125.01143	3.6
132.04543	8.4
133.02969	24.6
134.06082	4.8
135.04552	5.0
135.42973	2.0
136.04073	17.6
136.07700	74.3
137.08063	3.7
138.01944	2.6
138.05638	3.3
140.03546	22.1
141.09203	2.2
149.02374	3.0
150.03259	4.7
152.03528	14.9
153.04259	2.2
154.05121	9.5
158.06094	22.6
161.04616	10.7
162.05571	2.1
165.04356	5.9
166.05168	4.6
168.06612	3.6
170.04610	68.0
171.05057	2.9
171.10291	8.3
173.04555	22.4
173.09668	2.1
177.01945	8.6
183.05414	9.5
184.06157	3.5
187.07668	4.8
188.07262	3.8
189.11383	10.0
190.05099	2.0
191.05605	8.6
192.24934	2.0
202.05168	10.2
204.10289	3.6
215.05617	2.4
216.10310	11.0
220.06238	5.0
227.08264	3.6
228.09018	9.6
229.09833	6.9
231.07393	2.5
234.11334	9.5
244.08473	3.1
245.09108	2.4
247.10832	16.4
259.10815	9.2
271.10907	15.6
289.11938	12.9
291.14584	3.1
301.69354	2.1
303.10068	2.8
307.12985	4.6
321.10895	5.5
333.10895	3.7
333.15320	3.0
351.07291	8.8
351.11960	33.1
351.16574	65.5
351.20850	3.4
352.10434	13.5
352.17072	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	351.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42492	1.1
57.00965	1.1
57.03455	100.0
59.01386	87.4
70.70932	2.2
71.01379	11.8
73.02965	5.6
78.48401	1.1
81.03459	2.4
83.01392	2.8
85.02954	7.6
89.02460	4.4
93.03474	1.3
99.00893	3.3
99.04533	70.2
100.04894	1.4
101.02457	31.8
108.95551	1.1
113.02470	7.8
125.02467	18.3
133.03038	1.1
143.03529	1.4
146.06178	1.4
159.02983	1.4
161.04587	4.6
192.54230	1.1
207.08762	36.4
208.09143	1.5
287.44846	1.3
289.12732	1.9
322.28940	1.2
351.12997	2.5
351.16653	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	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19741	1.2
57.03454	100.0
59.01384	85.4
59.01649	0.8
59.01705	1.5
60.01721	1.3
68.71687	1.1
69.24494	4.9
71.01403	11.1
73.02952	7.4
81.03453	1.9
82.60413	1.3
83.01395	2.4
85.02971	6.5
89.02451	3.8
93.03467	1.3
97.23477	1.1
99.00886	1.6
99.04530	73.6
99.92590	1.9
101.02457	35.1
107.79582	1.4
113.02483	7.4
119.03514	2.6
125.02460	19.9
133.02959	2.9
140.56033	1.3
143.03471	1.8
146.06146	3.1
161.04568	5.4
171.74445	1.4
173.04492	1.4
179.99615	1.2
191.05566	2.4
201.08812	1.4
207.08759	43.6
208.09081	1.9
249.09792	1.8
269.03464	1.3
322.27527	1.4
338.00281	1.3
351.12659	2.2
351.16400	4.9
351.95474	2.2
352.10431	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	351.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03454	30.8
59.01386	100.0
61.67229	0.8
69.33886	4.0
71.01386	8.3
73.02948	2.6
83.01389	1.9
85.02960	4.2
87.00919	1.3
89.02451	3.5
93.03475	2.3
95.01421	1.3
99.00871	1.0
99.04533	20.3
101.02451	13.3
113.02460	4.6
119.03511	1.1
125.02465	5.6
133.02994	5.1
135.04482	1.0
146.06161	1.0
161.04597	5.4
161.40213	0.8
173.04558	2.1
177.01979	2.4
191.05652	2.8
203.83092	0.8
207.08755	10.8
215.05574	1.1
249.09627	0.9
259.10944	0.9
291.14590	5.3
351.07281	1.2
351.12656	1.4
351.16537	3.6
351.20227	1.3
352.10425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1708
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01374	12.1
75.00884	13.6
117.16955	3.8
121.10232	7.2
121.36770	3.5
124.49968	4.1
132.00046	3.2
135.92596	3.6
171.10301	25.3
182.40167	3.4
192.95872	6.8
205.97379	3.5
207.11661	3.5
231.10242	4.7
275.20148	24.2
293.21417	17.6
343.45963	3.6
351.17114	100.0
351.21573	7.7
352.17465	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	352.1193
Annotation	Cerasonine
Peak:m/z	Relative Intensity
51.97104	0.4
59.01409	0.4
60.41348	0.4
62.95185	0.4
69.33574	1.6
95.70113	0.4
98.21902	0.5
154.32497	0.4
199.29474	0.4
223.06425	0.7
251.05901	6.8
264.06711	1.1
265.07324	0.6
266.08316	0.5
278.04742	2.8
279.05386	51.0
280.05771	4.0
292.06204	1.4
293.07034	3.6
294.07776	5.7
295.07904	0.7
307.04904	31.5
308.05304	2.6
321.06601	0.8
322.07236	100.0
323.07571	9.4
337.09589	85.7
338.09955	9.9
352.11935	27.6
352.15314	0.6
353.12238	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	353.0891
Annotation	Cryptochlorogenic acid
Peak:m/z	Relative Intensity
53.17315	0.8
55.01863	1.0
59.01386	32.4
61.98840	1.1
67.01895	1.3
69.30413	4.8
70.68810	0.9
71.01391	11.3
73.02971	5.9
75.00892	0.8
81.64918	0.8
83.01398	2.3
83.05058	0.9
85.02965	13.8
87.00880	2.3
89.02445	4.6
93.03453	5.3
93.51695	0.8
99.00871	2.5
99.04547	0.8
101.02452	10.6
107.05030	2.0
108.14306	1.0
109.02979	0.9
111.04523	2.6
113.02452	6.3
119.03555	1.6
123.04533	6.3
125.02422	1.0
125.47202	0.9
127.00181	0.9
127.04030	2.6
127.88840	0.8
129.86385	0.8
131.07132	2.9
132.04546	1.2
133.02957	1.5
134.03751	5.3
135.04544	52.6
136.04910	2.1
138.05602	3.7
147.04517	1.7
153.05600	12.1
154.05989	1.2
155.03465	1.5
159.03001	1.3
161.02429	5.1
161.04482	4.0
173.04541	7.4
174.05656	1.1
179.03516	47.5
180.03807	2.8
184.06065	1.1
189.06783	1.3
191.05630	100.0
192.05975	3.5
194.92851	1.4
194.95529	2.5
221.10297	20.7
222.10689	1.1
245.05814	0.9
263.06735	3.3
285.38483	1.0
293.00134	1.1
307.04141	1.0
315.10809	3.9
352.92133	1.4
353.08810	13.4
353.14529	11.5
354.09152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84074	0.3
59.01377	2.3
60.97057	0.3
63.22058	0.3
70.97195	0.5
71.01380	0.9
73.02935	0.3
79.07150	0.3
82.61760	0.3
85.02963	7.4
87.00866	2.0
89.21172	0.4
93.03481	3.2
99.04535	0.3
101.02450	0.3
109.02950	0.8
110.58243	0.3
111.04536	1.0
121.00096	0.3
127.04021	2.1
133.02950	0.7
135.04544	2.9
137.02386	0.4
161.02470	1.9
171.02980	0.3
173.04584	3.9
176.73219	0.3
179.03523	3.3
191.05635	100.0
192.05997	4.2
205.06255	0.3
232.36539	0.3
353.08966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96840	0.8
57.03459	1.3
59.01386	7.3
67.01891	4.6
69.03458	1.0
70.28254	1.8
71.01390	3.7
72.21171	0.7
81.03442	1.4
83.05027	0.9
85.02953	9.3
87.00889	2.1
93.02873	1.3
93.03465	27.3
94.03788	1.2
95.67264	0.8
107.05034	1.2
109.02959	1.2
111.04532	5.9
127.04033	1.6
133.02995	1.5
134.03735	3.7
135.04541	67.7
136.04854	3.0
137.02457	4.9
155.03508	5.7
161.02434	4.3
173.04564	100.0
174.04926	3.5
179.03511	67.3
180.03897	3.3
191.05623	54.2
192.06029	1.7
241.37305	0.8
315.94992	0.9
353.08777	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	353.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52969	0.2
59.01377	1.9
60.77690	0.2
65.56983	0.2
67.01905	0.3
69.74007	0.9
71.01387	0.7
81.30674	0.3
84.70943	0.2
85.02957	7.8
87.00875	1.5
93.03476	2.1
100.62593	0.2
101.02462	0.2
106.84956	0.3
109.02953	0.6
111.04532	0.7
127.04030	1.5
133.02962	0.9
135.04536	0.6
136.52951	0.3
161.02431	2.3
171.03046	0.4
173.04500	1.0
179.03526	0.9
191.05627	100.0
192.05943	3.6
196.57764	0.2
198.90535	0.3
353.08679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01381	1.6
70.17570	0.5
71.01389	0.7
73.02949	0.2
81.03484	0.3
83.05055	0.3
83.37820	0.2
85.02959	7.6
85.78340	0.2
86.03283	0.3
87.00883	1.6
93.03473	2.9
99.04511	0.3
109.02931	0.7
111.04529	1.1
127.04023	1.6
133.02968	1.0
135.04509	0.5
137.02458	0.2
145.70834	0.2
161.02457	2.2
173.04564	1.5
179.03522	0.8
191.05630	100.0
192.05989	4.4
328.26343	0.3
353.08813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
57.03438	3.0
59.01382	38.2
63.18832	1.0
69.63339	2.0
69.63723	1.9
71.01388	52.0
73.02953	28.6
75.00861	1.7
78.17233	0.9
83.01389	8.3
85.02956	27.3
87.00849	2.4
89.02454	11.0
91.42682	1.0
95.01379	3.3
97.02962	2.2
98.21944	2.3
99.00884	10.4
101.02448	51.6
111.00846	1.3
113.02464	18.8
119.03524	1.7
125.02452	3.0
129.01981	1.7
129.28217	1.0
131.03516	3.1
135.04582	1.4
149.04477	1.1
159.02986	2.7
161.04573	18.5
191.05649	11.9
221.10315	100.0
222.10619	4.1
353.14536	65.1
354.14847	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	353.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43935	1.0
57.03455	1.2
59.01387	100.0
60.01715	1.1
61.98864	0.8
67.01894	1.6
69.49658	1.8
71.01387	5.8
71.73145	0.9
73.02978	1.9
75.00883	1.7
85.02955	7.0
87.00888	2.0
88.01215	0.9
89.02451	1.8
93.03479	6.8
101.02444	3.1
107.79346	0.9
109.02972	0.9
111.04545	3.2
113.02467	3.4
127.04067	1.3
133.02948	1.1
134.03770	1.1
135.04547	21.3
137.02469	1.7
155.03554	1.5
158.06139	1.8
159.06456	2.4
161.02458	1.2
161.04550	4.3
173.04570	26.7
179.03520	17.3
185.12967	0.9
191.05653	40.7
191.24658	0.9
192.05962	1.4
203.05597	2.3
205.06203	2.8
221.05798	1.3
233.05788	2.2
293.16132	6.4
353.09479	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	353.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83530	0.6
55.82491	0.8
59.01385	100.0
60.01741	1.0
69.55575	1.9
69.55961	1.7
71.01395	4.9
72.17321	0.7
73.02963	3.1
75.00906	1.2
85.02957	5.0
87.00891	1.7
89.02492	1.5
93.03474	1.1
94.02974	0.8
95.01440	0.8
100.93437	1.1
101.02448	4.7
113.02467	1.4
114.72787	0.8
115.92112	0.9
116.92876	8.3
135.04509	1.2
147.04556	1.3
149.01221	2.9
158.06161	1.3
159.03029	1.6
159.06497	2.5
161.04550	5.1
165.22028	0.7
173.04520	1.4
191.03610	4.2
191.05684	16.4
191.07344	1.2
194.04640	1.1
223.00746	0.9
260.16330	0.8
293.15933	4.7
307.07047	0.8
312.07169	0.7
353.10800	1.5
354.12158	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56992	0.8
59.01385	100.0
60.01692	1.1
61.98788	1.0
66.94875	1.0
67.01823	0.9
67.22335	1.0
71.01382	9.3
73.02946	3.0
75.00865	1.4
77.64407	0.8
78.30696	0.9
80.96520	1.5
83.01386	1.4
85.02956	6.7
87.00866	2.5
89.02449	2.2
89.99310	0.9
92.62084	0.9
93.03490	5.7
99.00867	1.6
99.92583	2.4
100.93361	1.9
101.02442	6.1
111.00941	1.2
111.04539	2.1
113.02467	3.2
115.92085	2.0
116.92876	13.2
117.03471	2.1
119.05022	3.1
121.02937	1.9
127.03998	1.1
133.06590	3.1
135.04553	8.6
137.02415	1.1
145.02928	1.9
147.04535	2.4
149.04558	1.0
158.06136	1.8
159.03011	1.1
159.06500	1.6
161.04594	5.3
163.04012	1.5
173.02420	2.5
173.04558	10.8
179.03525	6.9
191.01994	1.5
191.03535	5.6
191.05617	32.1
191.07326	2.0
191.69148	1.0
192.05925	1.6
208.95407	0.9
221.06566	1.4
221.10178	1.2
262.39529	1.0
277.46384	1.0
293.16101	6.1
324.08752	1.1
353.08997	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.75760	0.2
53.19777	0.2
56.46611	0.2
69.92107	0.8
76.20082	0.2
79.95705	0.3
96.96012	1.8
98.22630	0.3
147.08159	0.3
163.11295	100.0
164.11626	5.5
177.09219	74.4
178.09570	4.6
190.10043	0.4
222.09076	0.4
324.83514	0.2
345.20285	0.2
353.21228	89.4
354.21561	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	354.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
59.01379	6.0
67.04481	1.2
69.28345	7.8
71.01376	7.7
73.02975	2.9
82.44812	1.2
83.05026	3.9
85.02959	43.1
86.02504	1.8
86.03292	3.8
87.00882	4.0
88.01215	1.3
93.03472	3.8
94.03835	1.9
101.04258	1.3
105.02222	1.9
109.02975	2.7
111.04550	3.8
112.04898	1.4
113.02487	1.7
121.01702	4.2
121.02971	1.5
122.02479	1.9
123.03266	5.1
127.04036	4.5
128.04292	1.5
129.01917	3.9
133.01732	12.5
134.03731	4.4
135.04527	3.3
138.05611	5.7
139.04089	1.6
139.10410	1.4
145.05089	9.0
147.92473	1.2
148.04051	5.5
149.01195	100.0
149.06096	1.5
150.01826	4.2
150.03262	1.6
151.02750	5.2
151.03941	1.7
157.05080	6.7
161.01192	4.5
161.02451	2.3
162.01926	2.4
164.03545	7.9
166.05087	5.3
173.04562	3.3
174.04918	1.9
175.02716	3.0
176.03552	16.6
177.00687	6.2
177.04292	9.8
178.01457	15.9
178.02837	1.4
179.02260	25.6
179.03635	1.6
180.03860	2.7
181.03835	26.4
190.05174	3.3
191.02031	3.2
191.05626	94.7
192.03072	5.1
192.05945	71.5
193.04956	4.1
193.06238	4.7
194.04596	51.6
195.04895	2.4
196.06166	23.9
197.06656	1.7
209.03081	5.3
218.04626	3.5
220.06186	1.4
236.05618	13.5
260.09256	1.6
263.08011	2.2
278.10278	6.5
304.08231	4.2
307.06989	6.4
322.09326	22.9
323.09692	1.7
354.12057	30.3
355.12482	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	354.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15506	0.4
58.22433	0.4
59.01411	0.8
60.07127	0.4
62.52280	0.4
62.87276	0.4
64.04128	0.4
65.48923	0.5
71.01415	0.6
71.44858	0.5
130.08748	3.1
172.09862	0.8
178.02672	0.5
186.96092	0.4
193.05197	0.5
196.05341	2.6
197.47000	0.5
208.05392	0.7
209.06097	1.2
223.04004	2.5
223.07639	0.9
224.04803	16.4
225.05254	1.7
237.05554	1.8
238.06328	3.9
239.07166	5.1
241.05212	0.7
251.03563	5.8
252.04308	16.4
252.07982	1.0
253.04654	1.5
253.07285	0.6
253.08752	0.5
264.04141	0.6
266.05939	1.6
266.09064	0.4
267.06647	39.6
268.07010	3.6
279.06683	1.3
281.06830	19.5
282.09253	7.8
294.08936	1.0
295.08612	0.9
296.09164	0.7
297.11374	4.7
298.08527	0.6
304.26321	0.5
309.06467	23.9
309.10501	1.4
310.06754	2.7
314.07941	0.6
324.08798	81.7
325.09158	8.4
339.11130	100.0
340.11447	11.6
340.82602	0.5
354.13492	37.0
355.13852	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	354.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44080	1.0
52.74023	1.1
59.01366	1.0
61.98827	2.2
62.84726	1.0
83.20941	1.1
89.50613	1.1
98.21870	2.6
103.18343	1.1
107.24477	1.0
140.29303	1.1
160.00500	1.6
196.05231	2.2
223.04027	1.3
224.04829	19.0
225.05191	1.7
237.05513	1.2
238.06410	1.2
238.08656	1.3
239.07195	9.5
251.03459	2.2
252.04309	26.6
252.06654	1.2
253.04518	2.5
266.05792	2.2
266.08282	1.2
267.06641	60.1
268.06931	3.8
280.06213	4.6
281.06766	13.6
282.09039	13.6
296.09378	2.9
307.00983	1.2
309.06467	29.3
310.06665	2.3
314.07986	2.1
324.08789	87.2
325.09180	7.5
339.11145	81.8
340.11343	7.9
354.13492	100.0
355.13840	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	354.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10017	1.1
58.22635	1.4
61.98817	2.5
69.97940	3.6
74.90882	1.2
86.56776	1.5
113.35629	1.2
133.68387	1.2
160.00424	1.5
163.27789	1.3
181.03586	1.3
186.62213	1.5
196.05238	1.7
224.04846	13.7
237.05608	1.6
239.07147	6.2
251.03444	1.9
252.04266	18.6
266.05707	1.5
267.06650	53.1
268.06931	4.9
268.09674	2.1
280.06168	4.2
281.07101	9.7
282.09119	12.3
309.06418	21.4
310.06635	1.5
314.07852	1.6
324.08801	76.6
325.09122	5.6
339.11118	81.3
340.11472	7.6
354.13470	100.0
355.13678	10.0
359.29999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09740	0.5
65.40676	0.6
71.42119	0.6
74.08479	0.6
77.09523	0.6
89.43253	0.6
196.05237	3.0
208.05240	0.6
209.06087	0.7
223.03926	2.7
223.07597	1.0
224.04831	21.3
225.05151	1.4
226.86382	0.7
237.05652	2.1
238.06366	3.1
239.07172	4.7
251.03476	5.5
251.07306	0.7
252.04285	23.5
252.07971	1.1
253.04759	1.0
253.08881	0.9
266.05829	1.2
267.06650	52.4
268.06897	4.4
269.04443	0.7
279.06683	1.3
281.06827	21.1
282.09186	10.4
283.09537	1.0
294.09024	1.2
295.08618	0.8
297.11401	5.3
309.06476	25.9
309.11270	1.9
310.06839	2.4
324.08801	92.6
325.09106	8.7
339.11142	100.0
340.11472	10.4
354.13513	37.1
355.13766	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	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
50.60961	0.6
59.01380	0.8
69.44108	2.2
72.82107	0.6
76.29816	0.5
80.86464	0.6
98.21867	1.1
106.04256	0.6
117.78980	0.5
121.02979	0.7
133.02969	1.9
134.03757	78.2
135.04128	3.1
137.02473	3.2
137.76730	0.6
139.04001	1.1
149.06102	17.1
150.06451	0.6
160.01685	1.5
175.03976	1.4
178.02728	32.6
179.03055	0.7
191.05681	1.9
192.05940	1.6
193.05060	100.0
194.05452	6.2
276.49252	0.6
295.14771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.1
59.12946	0.9
60.99320	2.2
61.98822	4.4
67.01897	8.3
71.01387	8.4
71.40173	1.1
72.99279	1.3
73.02953	3.4
79.47105	0.9
81.03500	1.4
83.01424	1.3
83.05029	1.3
85.02975	11.2
87.00889	9.7
88.04053	1.3
89.02458	3.3
93.03470	46.7
94.03810	1.5
99.00890	2.3
101.02454	4.0
106.04253	2.7
109.02946	1.1
111.04523	7.3
113.02438	3.7
113.06078	1.5
114.05623	5.9
119.05019	2.0
121.02959	35.3
127.03996	1.8
129.01961	2.3
132.04573	5.2
133.02959	3.7
134.03777	5.4
136.04042	1.5
137.04405	1.4
138.05551	1.3
139.03990	2.0
145.02963	1.1
149.06097	2.6
150.05585	3.1
155.03526	2.1
156.06651	1.6
157.05084	1.7
161.04469	1.7
163.03990	1.2
165.05571	1.8
173.04558	40.9
174.04967	1.4
175.05141	1.3
176.03581	5.0
178.02731	1.1
181.05020	7.2
191.05624	100.0
192.05998	4.2
192.95956	2.1
192.97609	5.5
193.01402	1.2
193.05014	12.9
209.02957	1.2
223.10695	1.2
233.06654	3.3
235.79773	1.0
265.05167	1.9
295.14090	1.3
337.09274	3.0
354.91473	1.1
355.02945	2.9
355.10419	30.5
356.10406	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	355.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13493	2.9
56.00303	2.8
57.03447	9.1
58.17215	3.1
59.01386	100.0
60.01728	4.5
61.01790	4.5
61.98846	4.4
62.64137	3.1
64.50315	3.2
69.40645	2.7
69.83621	5.7
70.03613	2.9
71.01392	32.9
72.01746	3.5
73.02957	17.0
75.00908	3.2
83.01398	8.6
85.02959	98.3
89.02445	10.0
93.03480	3.0
97.02988	2.7
98.21913	5.3
99.00874	4.5
101.02456	22.6
103.02855	2.9
108.02520	2.6
111.00865	8.6
113.02439	12.6
114.05592	4.2
129.01939	8.0
132.04561	9.0
133.02960	3.8
134.03720	16.6
135.04512	12.1
136.04904	4.8
138.05626	11.5
143.03496	3.3
147.03004	9.8
149.06090	6.4
150.05605	11.5
161.04547	8.1
163.05034	4.2
173.04546	2.6
176.23213	3.0
178.02710	4.0
179.03491	5.9
180.03831	4.2
181.03940	3.7
191.01987	18.6
191.05637	17.6
192.06026	9.4
193.04994	14.3
193.06261	11.5
194.04553	15.0
209.03035	29.6
212.29089	2.8
221.10245	16.5
222.10646	15.0
223.10774	29.7
295.13803	4.0
317.11292	10.3
341.71487	2.8
355.06549	4.9
355.11273	10.7
355.15225	11.5
356.10437	3.6
367.55978	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	355.2281
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
56.49547	0.5
56.82070	0.5
63.33416	0.6
64.64463	0.5
69.31231	3.2
76.29091	0.5
89.68636	0.6
98.21867	0.9
106.21494	0.5
120.36154	0.5
121.65865	0.6
147.08162	1.4
161.09706	1.3
161.67685	0.6
163.11295	3.4
177.35052	0.6
190.60124	0.6
191.10777	1.0
241.41624	0.7
265.12442	1.7
280.14709	5.5
281.15091	0.8
307.17099	1.9
321.18503	1.1
322.19394	1.9
337.21756	100.0
338.22083	12.7
355.22879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.228
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.65411	0.5
69.54086	1.8
69.54485	1.2
72.47398	0.6
72.99286	0.6
107.05045	0.9
109.02946	0.9
122.03738	8.7
135.04533	23.2
136.04889	0.6
147.08173	2.9
147.39912	0.6
149.06113	1.7
149.09727	6.0
151.07654	0.7
153.90088	0.6
154.02765	0.6
161.09724	7.4
163.07710	3.0
163.11288	44.2
164.08421	14.9
164.11630	2.5
165.09142	2.7
177.09212	61.3
178.09981	19.2
179.10774	100.0
180.11111	6.1
187.11327	1.4
190.98125	0.6
191.10777	10.8
193.08687	2.4
265.12335	0.9
279.13831	0.7
280.14813	2.6
281.14990	0.9
298.15735	51.3
299.16132	5.3
307.17044	1.6
321.18671	0.9
337.21735	45.0
338.21994	5.6
340.20422	79.8
341.20831	9.3
345.98444	0.6
355.22781	97.3
356.23102	13.5
361.68063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2281
Annotation	Dshamirone
Peak:m/z	Relative Intensity
69.13506	7.7
94.11092	1.1
107.57941	0.9
133.10252	3.8
161.09712	1.8
163.11301	94.0
164.11629	3.5
179.10788	85.0
180.11180	5.5
208.72235	1.0
245.35301	1.1
257.32916	1.0
303.93710	1.0
311.25931	3.3
331.64005	1.1
337.21841	5.5
350.24701	1.0
355.22803	100.0
356.23135	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	355.2857
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
51.80493	1.2
56.85823	1.1
57.72560	1.3
58.69865	1.1
63.56520	1.2
70.69093	2.0
95.07049	1.2
110.41875	1.4
148.12840	1.2
179.10873	1.2
280.94864	1.1
289.64432	1.3
293.28546	58.6
294.28857	5.4
311.29480	1.6
337.27493	20.1
338.28009	3.0
355.28568	100.0
356.28964	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	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
55.33561	0.5
57.42567	0.4
59.01387	10.9
59.01668	0.9
70.91973	0.5
71.01388	4.1
73.02965	0.9
85.02950	1.4
87.00922	0.5
89.02457	4.4
90.03513	2.1
95.01394	0.5
101.02467	2.1
104.05076	7.8
105.03520	0.5
108.04592	2.3
108.46013	0.4
110.01743	0.4
113.02464	1.6
116.39643	0.4
119.03526	1.1
132.04570	90.1
133.04898	4.1
134.03738	0.6
134.06146	0.7
149.01129	0.5
150.05621	2.8
165.16547	0.4
176.03546	100.0
177.03920	4.7
178.05124	0.5
194.04565	3.4
195.06651	0.9
200.00694	0.4
236.05826	0.6
257.93292	0.5
266.06601	0.6
296.07800	1.0
302.71231	0.5
356.09818	10.6
357.10583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59981	14.4
56.17065	13.2
59.42891	13.3
61.98837	100.0
87.78575	13.6
88.75637	13.9
121.02975	26.1
366.89755	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	356.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20301	3.7
62.55942	3.8
63.90977	4.0
69.45425	9.0
69.45810	7.9
75.88286	3.6
93.03450	21.1
121.03022	3.9
126.22604	3.4
133.03033	3.7
154.89380	3.5
166.99663	3.4
170.89578	4.6
175.46292	3.7
244.10832	24.7
266.58597	3.9
291.19772	4.1
313.17847	100.0
314.18372	7.4
330.97397	4.4
345.59317	3.9
348.33865	3.5
356.18500	33.8
370.87643	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.50633	0.1
52.85180	0.1
59.01380	0.2
67.93476	0.1
77.03996	0.2
85.02965	0.1
111.08087	0.2
113.67586	0.1
120.02176	0.2
121.02969	100.0
122.03300	4.0
122.04130	0.3
142.16312	0.1
165.01926	1.2
171.08150	0.2
171.10394	0.2
180.05833	1.8
181.06604	7.0
182.06934	0.5
197.06094	0.2
199.07643	0.2
225.05592	6.1
226.05940	0.5
269.08331	0.2
313.07217	7.9
314.07593	0.8
317.88043	0.1
357.06177	29.8
357.22812	0.8
357.26355	0.3
358.06528	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	357.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01389	2.2
66.89694	0.6
69.49484	2.8
71.01401	1.1
87.73445	0.6
89.02474	0.6
89.51263	0.6
91.01898	5.9
93.03466	8.0
96.99315	7.6
101.02472	0.7
108.02185	3.2
109.03014	0.9
111.00919	0.7
117.03501	1.7
119.05030	15.6
123.04538	13.1
124.01620	0.9
127.67954	0.7
130.04260	1.2
130.08749	1.7
131.05029	3.5
133.02965	3.4
134.03758	18.0
143.05037	13.4
144.05260	0.6
145.02946	3.3
146.03751	6.7
147.04512	2.8
148.01750	1.2
148.05313	1.3
149.06064	1.4
158.03737	3.3
159.04547	9.8
160.01637	1.0
161.06116	3.6
163.04015	8.9
163.76031	0.7
171.04579	1.3
173.06120	2.7
178.02710	1.1
178.09821	0.6
187.03995	1.6
193.05099	4.6
226.06320	4.3
230.74332	0.7
235.07466	0.9
236.08220	0.8
241.08727	3.0
250.06448	1.1
251.07153	22.0
252.07841	9.9
253.08739	6.7
254.09502	3.9
263.07394	1.0
265.08658	1.0
267.10287	2.5
279.06708	6.7
280.07397	16.0
281.07819	1.8
295.09824	14.6
296.10043	1.6
313.11005	1.3
315.18011	0.7
324.06323	2.9
325.71432	0.6
339.08807	6.3
340.09137	0.9
357.09836	100.0
358.10178	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	357.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52359	1.1
55.01884	1.9
57.03461	2.3
59.01383	16.2
67.63117	0.9
71.01389	25.6
71.40733	0.9
73.02963	9.6
83.01395	2.9
83.05030	4.1
85.02956	14.3
87.00869	2.7
87.67908	1.0
89.02451	3.5
89.03996	2.2
91.01883	1.9
93.03466	4.9
95.01395	1.2
99.00915	3.4
101.02454	16.4
106.04252	1.3
108.02162	2.0
112.84990	1.1
113.02458	10.7
117.03486	9.3
119.05041	86.5
120.05396	3.7
121.02958	1.6
123.04509	1.5
130.08746	4.2
130.58598	1.3
132.05826	1.2
133.03050	1.3
134.03761	100.0
135.04124	4.0
136.01631	1.2
137.02438	1.6
138.09286	1.5
143.05046	1.6
143.11928	1.4
145.06465	1.1
146.03746	3.0
147.04570	6.0
148.05345	8.0
149.06104	12.8
151.04071	1.0
152.03542	4.0
154.01497	4.6
159.03012	2.6
161.04581	12.5
161.06085	4.5
162.06866	1.9
163.04027	77.6
164.04390	3.5
165.09192	2.4
166.08688	1.5
178.02756	7.2
193.05080	59.4
194.05420	3.3
226.06502	2.1
233.10728	1.1
247.88123	0.9
251.07271	2.0
252.07889	2.6
253.08731	12.0
254.09386	6.6
256.20200	1.2
269.11896	5.7
280.07639	1.3
313.10861	49.3
314.11142	6.2
323.16138	5.6
330.12976	1.4
340.18747	2.6
357.09824	75.4
357.21832	3.0
358.10165	9.2
358.22568	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.76308	0.7
59.01384	46.8
69.36727	1.4
69.37083	4.3
71.01386	19.7
83.01370	0.9
85.02946	2.9
87.00876	1.5
89.02449	18.6
95.01387	1.4
101.02451	12.9
108.02171	1.4
109.02929	1.2
113.02470	8.3
114.05647	4.8
116.07185	2.3
119.03507	9.1
129.10310	1.8
130.08745	1.7
134.03738	1.3
136.01656	1.1
143.03583	1.0
149.06053	1.1
151.04007	1.9
161.02446	2.0
162.03238	65.0
163.03802	4.3
177.05582	100.0
178.05948	5.8
193.05138	1.3
195.06587	2.9
216.27354	0.8
342.09683	0.9
357.11853	3.4
357.21478	5.5
358.17880	0.9
364.23383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	68.6
61.70549	7.1
71.01389	26.1
72.97536	78.9
73.02944	14.4
75.00916	7.1
85.02961	12.9
88.04078	14.4
89.02460	15.8
90.02780	9.5
93.03461	7.4
101.02473	21.7
108.02187	8.7
109.02946	15.1
109.93237	6.2
113.02484	6.4
115.94621	6.7
119.03526	10.6
121.02960	9.1
123.04559	10.6
125.02480	9.1
129.10332	13.8
132.04561	90.7
133.04919	78.9
134.97589	15.2
135.04555	74.1
137.02509	7.8
149.06129	8.1
151.03966	14.5
153.01993	12.8
162.03191	10.4
176.03523	65.0
177.02185	10.3
177.03908	100.0
177.05504	19.7
178.05142	9.5
194.08278	16.0
195.03079	16.2
195.05043	12.9
195.06654	18.0
195.08517	13.0
224.11555	10.6
315.97495	7.5
334.55185	6.6
357.21387	26.4
358.12286	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	357.2287
Annotation	oscr#21
Peak:m/z	Relative Intensity
57.03445	3.5
59.01383	2.3
69.03464	2.5
69.10564	5.4
71.01419	1.1
71.05014	1.4
74.61036	1.0
75.31556	1.0
75.59168	1.0
83.05034	5.5
84.02177	7.3
85.02970	1.1
85.06601	2.1
85.38177	0.9
87.04503	5.9
88.59602	1.0
93.03501	1.2
95.05025	7.9
97.02975	1.2
97.06624	6.1
98.21895	2.5
98.37516	1.0
98.69862	1.1
99.04564	1.6
111.04546	3.1
113.06057	2.8
120.02101	1.0
121.06630	1.5
123.04546	1.7
123.08144	1.2
125.09717	5.9
135.08244	1.5
137.09732	2.1
149.13312	1.0
163.11327	4.0
165.12810	1.2
171.10294	18.0
172.10493	1.7
183.04420	1.1
185.11867	1.5
193.12364	17.9
194.12718	1.3
195.13911	2.4
199.13281	1.2
209.11925	2.0
211.13460	4.1
219.13887	3.5
225.14977	21.1
226.15366	1.6
235.13202	1.2
237.15009	3.0
243.16035	10.9
249.15155	1.1
251.16498	10.6
251.87747	1.0
253.14439	1.2
253.93420	1.1
269.17590	24.3
270.17960	1.3
281.17590	2.2
289.18222	1.3
299.18716	1.5
307.19232	1.3
317.85330	1.2
321.20676	1.3
339.21835	4.1
357.22849	100.0
358.23190	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	358.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	1.5
67.33472	0.4
69.19478	1.5
69.19880	1.6
72.52554	0.5
105.02241	0.6
108.08178	1.4
117.69980	0.5
130.08769	0.6
132.02139	0.7
133.01691	1.4
149.99532	0.5
152.07080	0.9
155.03770	0.8
156.02135	1.4
160.01625	0.7
167.03673	0.6
168.02115	0.7
174.92197	0.5
175.99849	1.9
177.00676	6.2
178.01247	0.8
178.05042	1.3
183.03256	2.5
184.01682	5.0
195.03253	0.5
196.01718	1.3
196.06197	0.9
199.02736	1.7
210.01872	0.7
211.02806	3.6
212.01180	9.5
224.01151	0.6
227.02240	3.9
238.01459	4.3
239.02235	6.5
240.00648	29.7
241.01149	2.0
242.00877	0.7
255.01712	4.4
256.02527	1.4
266.00967	3.4
267.01727	14.6
268.00128	73.8
269.00473	5.9
283.01196	3.4
284.01999	0.7
299.04459	1.7
311.00735	32.5
312.01111	2.6
314.06860	0.9
317.03278	0.5
317.19806	0.6
343.03339	13.8
344.03705	1.0
358.05704	100.0
359.05997	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	358.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	41.4
63.28460	4.1
64.23677	4.2
67.01897	5.3
67.98969	3.7
69.42491	14.9
71.01388	25.1
71.53665	4.2
81.03484	8.8
82.06789	3.8
83.05028	23.7
85.02955	11.6
89.02448	13.7
101.02439	10.9
111.00892	10.0
111.21008	3.8
113.02450	10.0
121.38545	4.5
130.08762	5.0
134.06172	4.2
137.02423	7.0
138.02008	5.1
145.05098	5.0
150.67039	4.0
153.05545	5.8
161.04524	6.8
169.06619	9.9
178.01424	11.8
178.05098	8.2
182.02248	11.4
196.03699	6.5
197.04523	8.6
197.06084	100.0
198.06406	8.0
236.40443	4.0
255.12675	63.6
256.12897	7.9
269.11514	9.6
270.15015	58.3
314.13806	22.5
358.07867	15.2
358.22391	20.0
359.09671	15.5
359.16672	6.3
359.20844	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	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73762	0.5
59.01384	92.3
60.01732	0.6
62.06605	0.5
69.56290	2.0
69.56636	0.6
84.95463	0.5
88.48164	0.4
90.14806	0.4
90.97115	0.5
93.57396	0.4
98.22623	1.0
123.86491	0.5
132.98213	1.7
157.03590	2.6
159.01588	0.7
174.99258	26.5
187.29097	0.5
201.02563	25.1
202.02771	2.1
217.00311	100.0
218.00688	3.2
288.22104	0.5
352.68997	0.5
359.01505	2.8
360.01730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	89.2
59.31216	0.6
60.01742	0.5
61.02951	0.4
61.06392	0.5
61.98823	0.7
70.61078	0.5
70.61420	0.5
71.01392	1.2
82.61964	0.4
85.02970	0.6
88.04060	0.7
90.97159	0.6
95.01389	0.5
98.22544	0.5
101.02469	0.6
109.02970	0.7
111.00912	0.8
123.00904	4.0
123.04547	3.4
125.02519	0.6
130.08859	0.5
132.98215	1.8
135.04539	19.0
136.04964	0.6
137.06104	1.4
138.03250	4.1
139.04030	0.7
146.58632	0.5
149.02402	1.1
153.01971	0.9
153.05597	4.9
157.03609	2.6
158.99815	0.9
159.01515	0.7
162.05603	0.5
166.99918	0.8
167.03503	2.0
174.99263	23.9
182.02252	3.8
197.04564	10.5
201.00874	1.3
201.02563	22.7
202.02795	2.1
204.01962	0.7
217.00314	100.0
218.00687	3.2
297.02853	0.6
299.09192	2.2
315.20367	0.5
329.08734	0.7
359.01788	2.4
359.09506	3.2
360.10229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.5
69.25114	5.5
71.01389	1.1
72.99332	1.1
80.92563	0.8
85.02979	1.4
89.02439	1.0
92.05100	1.5
97.02986	0.8
101.91885	0.9
106.06679	1.0
108.08233	2.1
109.08543	2.0
110.02533	1.8
111.86380	0.9
120.04598	2.6
122.06170	3.4
131.06184	2.3
133.01762	1.9
135.04567	1.7
144.08221	1.8
147.03276	54.0
148.04092	13.5
152.07269	1.2
157.05385	1.4
159.05763	0.9
161.02475	5.5
169.05392	2.4
171.07043	1.1
172.07713	1.6
184.07733	2.0
187.08788	8.0
191.02248	4.6
197.04654	1.2
199.05154	2.4
200.05806	2.1
200.07408	2.2
200.10880	1.5
212.03075	1.1
212.07411	5.9
213.03230	2.9
213.06818	1.7
215.08427	3.4
215.11841	1.3
226.07642	2.0
227.04643	28.9
227.08357	1.8
228.05310	5.8
240.00777	3.3
241.00949	5.9
241.06297	1.9
241.10005	3.7
242.06903	5.2
243.07758	59.3
243.11369	5.6
244.08223	3.5
254.07066	1.6
255.07751	19.2
256.08148	2.2
268.02222	2.7
269.00464	10.2
269.09338	5.1
271.10944	14.5
271.13770	1.3
287.06772	5.6
297.08841	7.2
312.01266	3.3
315.09882	15.1
316.12195	1.1
317.19843	2.6
344.03534	1.8
359.09088	100.0
359.20544	6.3
360.09280	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	359.0988
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
59.01385	17.5
61.74048	0.8
70.09509	1.3
70.09837	0.9
71.01389	7.1
72.97546	1.6
73.02964	0.9
85.02955	2.1
87.00907	1.1
89.02448	6.9
93.03442	0.7
94.52634	0.8
95.01418	1.3
98.00111	2.4
99.00891	2.9
101.02477	3.4
107.05053	0.8
109.02946	1.1
113.02444	2.4
117.97340	1.7
119.03518	3.1
119.04990	1.7
120.99335	1.1
121.02991	0.9
123.04517	0.8
125.02435	0.8
134.06120	0.8
135.04512	2.0
136.01628	0.8
137.02426	1.4
137.06087	0.9
146.17914	0.9
149.99640	1.0
153.01964	9.0
161.04695	1.0
161.06059	0.7
162.05704	0.9
163.00403	2.1
163.03995	1.4
164.04802	1.4
177.01941	0.9
179.03528	1.3
179.05690	1.6
179.07007	1.3
179.08310	2.6
181.01437	100.0
181.04903	2.3
182.01843	4.0
195.03062	1.5
196.03789	44.8
197.04553	7.7
201.02504	0.8
207.03044	1.4
209.04604	1.8
217.00270	3.3
219.03058	1.2
227.29407	0.7
239.05560	4.5
241.07399	0.7
251.05487	1.1
299.11441	1.4
316.15445	1.1
359.09827	9.3
359.13803	1.2
360.09763	1.1
360.13965	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.30098	0.7
59.01383	37.6
59.24517	0.7
60.34481	0.7
62.56285	0.7
69.23095	3.7
71.01371	2.3
77.87025	0.8
81.53141	0.9
82.09470	0.8
85.02964	1.8
95.01392	3.2
98.22645	1.1
101.02438	1.8
113.02476	1.3
123.00897	50.0
124.01241	0.8
126.87885	0.8
131.21184	0.8
136.92146	0.8
137.02512	1.2
137.06102	19.7
138.03236	56.8
139.03557	2.5
143.11967	0.8
153.05592	18.9
161.04565	3.3
161.49141	0.8
166.99872	12.6
170.60597	0.7
180.56520	0.7
181.01489	0.7
182.02220	46.2
183.02576	1.9
197.04564	100.0
198.05000	4.2
217.00383	0.8
265.76624	0.7
349.88596	0.7
359.09787	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	359.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76691	2.1
59.01386	29.0
63.96223	3.0
69.19856	1.8
69.40557	7.8
69.40973	3.8
71.01379	7.3
71.05029	3.6
77.67987	1.9
85.02947	2.3
89.02441	3.4
98.22588	4.1
99.04532	14.9
101.02436	3.0
115.03981	2.1
117.05597	6.0
117.97322	18.1
123.00883	7.1
124.04037	3.4
128.03543	3.0
130.08701	5.3
135.69751	1.8
138.03235	9.0
141.06706	2.4
143.11858	3.0
153.01945	3.4
153.05539	4.0
161.08212	100.0
162.08575	3.8
166.99881	3.0
174.99246	5.9
179.03531	3.6
179.05647	4.0
181.01445	32.3
182.02248	11.7
196.03783	18.5
197.04572	29.3
201.02563	4.4
214.15971	2.1
217.00290	14.5
219.05110	2.3
253.38853	2.1
254.15103	2.6
268.02570	3.2
298.14087	6.5
316.15158	4.8
359.09683	5.8
360.17862	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	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52924	1.1
59.01387	100.0
60.01710	1.2
69.44998	5.0
71.01398	6.2
73.02953	1.9
84.57713	1.0
101.02457	2.8
106.83815	1.0
113.02470	2.3
119.04982	1.9
123.00907	13.6
137.06105	57.0
138.03241	17.0
138.06459	2.2
153.05547	5.3
159.03032	1.2
161.04593	9.3
166.99878	3.5
182.02232	12.1
185.43430	1.0
197.04564	34.7
198.04942	1.4
280.26596	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1504
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
59.01402	7.6
59.62788	1.3
61.19438	1.1
66.10220	1.0
71.01358	3.0
71.05009	2.0
71.39970	1.1
73.02927	1.2
85.02953	1.3
96.96008	1.1
113.02467	1.2
122.24125	1.2
135.04527	1.5
137.02455	1.7
147.04547	1.3
151.03999	2.4
151.07651	1.7
153.01982	1.4
171.10274	6.7
173.06085	1.2
180.03044	2.3
184.71652	1.3
185.11873	1.5
196.92317	1.2
197.11896	1.5
201.11333	2.9
210.04082	3.5
211.04155	1.9
213.05588	4.7
214.09970	1.1
217.00314	4.2
227.03574	1.7
227.07141	2.4
227.12973	1.7
230.09497	1.8
239.07092	3.9
240.07942	3.2
241.05049	2.5
241.08777	2.2
242.09482	4.1
253.14252	2.2
257.08258	5.2
258.08911	12.4
261.07730	1.4
266.05725	1.7
267.06647	2.2
268.07343	3.5
269.04614	2.5
269.08313	5.9
270.06036	2.0
270.09000	12.7
271.09589	1.8
271.15631	2.0
283.09909	1.7
284.07004	7.2
284.09586	1.3
285.07919	2.7
285.11331	13.5
286.08496	9.1
286.11243	1.5
296.07092	1.7
297.07712	2.3
299.09244	26.2
300.09793	3.0
301.10773	8.4
305.17709	2.2
311.09149	5.5
314.07971	30.9
314.11386	2.4
315.08362	2.8
323.18478	1.6
329.10318	60.1
329.13644	2.1
330.10669	6.5
341.19513	1.5
344.12646	75.0
345.13062	7.3
359.14999	100.0
359.20224	3.1
360.15323	12.5
368.41354	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	92.1
59.34530	24.4
67.75205	26.6
69.47636	100.0
75.31991	25.5
78.16751	31.7
98.22620	55.7
103.87292	26.2
115.53757	31.5
136.65134	28.3
199.13374	44.8
201.08165	30.2
217.00273	75.8
236.29593	33.2
251.12834	44.5
287.16663	34.9
298.19977	30.0
305.17615	58.9
323.18576	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62987	0.7
56.95383	0.7
59.01386	24.6
70.27329	1.5
71.01360	0.8
177.96426	0.7
204.26303	0.8
216.39757	0.8
233.16150	0.7
277.21744	100.0
278.22092	11.9
359.22052	17.1
359.25323	0.5
360.22159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	12.6
59.01397	5.6
69.03455	2.5
71.05028	1.6
71.40134	1.5
83.05022	1.4
111.08164	4.8
113.09767	1.2
127.11293	11.1
130.80528	1.1
137.09758	13.6
153.12901	6.1
155.10805	20.4
157.12361	5.0
165.12885	1.6
171.13857	1.2
174.99188	1.8
178.01590	1.0
182.04619	1.3
183.13876	1.6
186.12617	1.5
201.02548	1.5
201.15010	19.9
210.04042	3.4
217.00299	3.1
230.15234	8.4
231.15921	2.1
231.44809	1.1
324.58853	1.4
341.26923	1.5
359.24307	3.9
359.28055	100.0
360.28433	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	360.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71598	0.5
51.68126	0.5
53.30870	0.6
65.99866	0.5
67.01913	0.6
69.03466	4.3
69.67409	1.2
69.67798	1.0
74.92821	0.6
75.86900	0.6
79.01896	4.0
81.02089	0.7
94.03025	1.1
94.09792	0.5
97.02954	2.3
97.88544	0.5
103.98978	0.6
107.01405	8.0
108.02174	0.9
108.04561	0.9
121.01702	0.7
125.02438	4.0
129.27901	0.6
133.01704	30.4
134.02417	1.8
135.00894	13.9
136.04048	9.0
148.00420	14.9
148.04062	7.9
152.03549	4.1
165.00684	7.0
166.05093	0.6
180.03043	37.3
181.03386	1.6
183.03360	1.0
194.04613	2.0
195.05383	27.1
196.05757	1.0
200.03539	3.0
211.02751	6.4
225.04366	1.0
226.05078	1.0
227.02286	2.3
228.02992	5.0
239.02208	4.6
240.02916	1.0
254.04662	6.1
255.01711	10.2
255.04587	1.1
256.02417	2.0
269.07077	0.7
270.04129	1.6
271.04810	1.4
283.01245	33.1
284.01709	2.9
287.04462	1.0
298.03592	78.9
299.03931	8.6
313.05942	100.0
314.06290	11.1
315.03854	9.5
316.04364	0.8
328.08279	93.2
329.08630	7.6
330.06213	23.6
330.09180	0.6
331.06454	2.1
345.08551	56.7
346.08929	6.0
360.10904	36.9
361.11194	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	361.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71695	0.8
55.24026	0.6
59.01380	7.0
60.26768	0.6
61.98540	0.9
61.98838	7.3
71.01388	2.9
72.00920	2.6
74.02486	3.8
81.71274	0.6
83.92540	0.6
88.04058	0.6
89.02416	1.4
101.02444	1.8
111.04527	1.0
111.89729	0.6
113.02445	0.6
116.05070	14.1
130.06636	63.8
131.06958	2.2
141.98224	6.2
142.06622	3.8
144.04443	0.7
157.07823	0.9
158.06111	1.0
159.09290	1.7
161.04550	1.0
163.03995	1.0
174.99292	1.4
187.98796	3.3
202.98882	0.8
203.08289	7.5
207.03062	0.8
213.03459	5.0
217.00362	1.6
233.12932	4.8
246.04391	3.2
255.04507	4.7
256.02795	1.1
259.03937	3.7
301.05078	100.0
302.05334	7.4
317.15204	1.4
361.07224	0.8
361.14392	4.3
362.19806	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	361.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67805	7.0
52.21131	6.2
59.01378	15.3
61.91802	6.4
97.06616	7.7
106.21806	6.3
122.19664	6.2
123.64556	7.4
125.09740	61.2
137.09691	33.2
142.77142	7.7
169.06108	9.6
202.98746	11.3
307.19162	100.0
308.19409	8.3
325.20309	49.4
361.20673	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	361.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	56.7
59.69837	0.4
60.01722	7.5
61.01813	2.3
61.98836	100.0
70.43617	1.2
77.21509	0.4
88.51650	0.4
132.98233	0.6
133.96796	0.5
136.26094	0.5
157.03648	0.7
160.03674	0.6
161.97263	0.8
174.99269	7.4
175.99611	4.6
176.98698	0.5
176.99959	0.9
177.96808	0.8
177.99001	0.7
178.98546	4.6
201.02583	6.3
202.02780	1.7
202.98792	1.7
203.02293	3.7
203.98222	8.2
204.00145	2.7
204.02705	4.7
205.02736	0.6
214.81749	0.4
217.00314	19.4
218.00656	23.0
219.00845	6.6
219.97792	53.0
219.99843	3.2
220.97581	1.0
220.99640	20.1
252.76337	0.5
253.97653	0.5
254.71169	0.5
271.15521	0.4
362.01755	1.8
363.01007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78685	0.6
65.00335	0.7
65.99871	0.8
68.99844	0.6
69.09195	4.5
109.01710	1.2
126.52902	0.6
133.01709	13.1
134.02072	0.9
136.00383	3.0
137.01207	1.8
141.03380	0.7
143.13724	0.6
147.29381	0.6
148.04073	5.0
160.04102	1.2
161.50142	0.7
163.99930	3.2
165.00705	9.5
172.04117	5.1
173.92545	0.6
184.03993	0.8
185.02626	0.6
188.03545	1.0
200.03505	6.6
201.02022	1.0
201.04024	0.8
212.03668	2.4
213.01996	0.6
216.03073	1.2
227.02304	0.9
228.03059	16.5
228.05295	1.2
229.01411	4.2
229.03400	0.9
231.66911	0.7
240.02982	3.6
256.02524	31.5
257.00818	8.7
257.03046	1.6
271.04852	6.1
272.03482	4.5
284.02048	1.2
287.04358	1.1
300.01505	23.0
300.04913	1.3
301.01843	2.2
315.03870	79.0
316.04092	7.7
330.06201	100.0
331.06540	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	362.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61708	0.8
65.99855	2.5
73.61797	0.6
91.62243	0.6
95.01400	1.4
98.22717	1.1
107.01368	1.1
116.06194	0.7
120.00912	3.6
122.02538	0.9
123.00879	2.8
123.72800	0.7
124.01678	4.7
134.83479	0.7
148.00415	55.6
149.01192	72.1
149.99600	18.4
150.01959	3.8
151.00426	3.2
164.03552	29.9
177.00624	0.8
182.04628	1.9
200.03491	2.0
207.01775	2.0
208.02472	2.8
218.00943	2.0
222.04199	0.8
222.61148	0.7
228.03033	5.3
229.01427	2.1
244.02499	7.6
256.02524	12.9
257.00836	2.6
271.04849	3.1
272.01895	13.8
273.02545	1.8
283.01273	1.7
287.05374	2.7
300.01483	5.6
301.01880	0.7
315.00015	1.0
315.03860	64.4
316.04172	6.1
330.06192	100.0
331.06625	9.8
347.06430	7.1
362.08725	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	362.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01724	1.5
61.98838	1.6
70.76209	1.5
71.01382	10.2
85.02963	1.4
89.02460	11.9
95.01419	0.9
99.74468	0.9
101.02450	4.9
113.02466	4.2
119.03511	5.3
143.03520	0.9
179.05612	2.1
203.98285	1.8
255.65559	1.1
302.12582	1.6
362.19543	1.6
363.16830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03461	4.0
59.01385	100.0
60.01726	1.4
69.63730	0.5
70.97401	0.7
71.01387	24.9
72.99339	1.1
73.02949	5.1
78.55324	0.6
83.01413	1.9
85.02958	6.1
87.00879	1.5
89.02454	23.7
90.02811	0.8
95.01398	1.5
99.00880	0.8
101.02453	16.4
113.02461	9.6
119.03507	10.3
131.03529	0.7
139.11285	0.6
143.03552	1.9
149.04601	1.1
161.04587	2.3
164.03477	0.7
179.05630	4.0
183.10281	5.4
184.10675	0.9
319.17566	0.7
331.13187	0.9
332.24472	1.1
363.16626	63.7
364.16940	7.2
364.27136	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.74716	0.6
57.03457	13.9
57.97765	0.9
59.01386	100.0
60.01708	1.0
61.98836	2.1
69.46392	3.4
69.46758	1.4
71.01386	26.7
72.99340	1.2
73.02957	4.8
75.40057	0.7
83.01400	3.2
85.02955	7.9
87.00903	0.8
89.02453	19.7
95.01409	1.8
95.04987	1.0
99.00883	1.3
99.04556	4.7
101.02459	22.3
102.02790	0.8
113.02464	8.5
113.06133	0.8
119.03500	8.2
121.10287	1.0
123.08126	0.9
131.03546	1.0
134.06082	0.8
139.11359	0.9
140.10875	0.8
143.03564	1.0
149.04503	0.8
161.04596	3.5
163.69891	0.8
178.05128	0.9
179.05669	1.7
183.10266	12.4
184.09822	2.4
185.11845	1.1
201.11377	2.5
202.06303	0.8
219.08791	1.2
247.36467	0.8
303.14606	1.8
308.18198	1.0
311.52826	0.8
363.16626	80.6
364.16873	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	363.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70852	3.2
59.01389	5.6
59.37831	3.1
69.68960	6.0
69.69342	6.5
73.53911	3.5
77.23843	3.4
85.02971	10.4
87.00916	5.0
97.06606	6.7
124.43870	3.5
171.10298	14.2
183.14030	3.9
211.13429	11.3
229.14494	10.3
246.39944	3.4
249.95563	3.5
327.21786	100.0
328.22122	10.1
331.66797	3.6
363.18042	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	363.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12706	8.3
65.86935	7.0
91.28838	8.5
99.07909	7.6
113.09737	10.2
125.09763	12.6
133.28265	7.8
151.00352	13.3
171.10284	16.1
201.11369	41.6
213.11397	15.3
272.77951	8.3
327.21780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.218
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.02040	0.4
57.03461	1.9
59.01376	1.7
64.81408	0.4
67.01903	0.4
69.03461	0.5
69.66647	0.3
70.59882	0.4
71.01395	1.1
71.05021	0.8
73.02956	1.6
76.11451	0.4
77.78851	0.4
81.03441	0.8
81.07131	0.8
83.05006	2.1
85.02946	3.3
86.92119	0.4
87.04551	0.4
93.03469	0.9
95.05041	1.7
97.02990	0.6
97.06602	0.9
99.04525	2.3
107.05035	2.8
108.02188	1.3
109.02998	0.5
109.06593	2.8
110.03711	0.5
111.04531	1.2
121.03008	0.8
121.06578	0.5
122.03777	0.4
122.90228	0.4
123.04545	3.4
125.02414	0.6
125.06119	0.8
127.01490	0.4
127.04006	1.0
130.50313	0.4
133.06667	0.5
135.04549	1.5
136.05290	0.5
137.06093	3.1
138.03223	0.5
139.04068	1.0
140.04814	3.0
144.67604	0.4
147.08159	1.2
149.06102	0.9
149.09749	3.1
151.04030	2.9
151.07663	4.7
152.04846	0.9
153.05592	0.8
157.06638	0.4
165.61185	0.4
169.05080	7.1
170.05614	0.5
172.03796	9.5
175.07625	3.4
178.06381	5.3
193.08687	3.7
195.06688	1.1
197.08214	0.6
211.09827	0.5
213.07712	0.9
345.20831	1.0
363.21799	100.0
364.22125	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	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03452	100.0
58.03790	1.6
59.01385	84.5
60.25075	1.2
69.22986	8.3
71.01381	11.8
72.68789	1.2
73.02960	4.6
73.73490	1.1
81.03444	2.7
83.01405	3.2
85.02972	6.6
87.00869	1.5
89.02449	4.0
99.04529	73.8
100.04891	1.8
101.02453	26.7
112.19775	1.3
113.02451	4.3
122.72832	1.2
125.02473	19.8
161.04582	4.5
205.39099	1.5
221.10327	22.2
263.11307	2.1
321.02579	1.7
365.14420	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	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	100.0
59.01386	74.9
59.01622	1.1
69.40856	3.0
69.41244	3.3
71.01382	8.3
73.02959	3.8
81.03488	1.6
83.01402	4.0
85.02942	8.3
89.02461	1.8
99.00872	2.3
99.04533	67.8
100.04917	2.0
101.02456	31.6
113.02481	6.5
125.02448	14.1
161.04596	4.8
169.96849	1.3
221.10329	28.5
263.11523	1.6
353.19925	1.3
365.14536	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03454	100.0
59.01385	73.4
60.82107	1.3
70.96919	1.2
71.01392	12.9
73.02953	5.4
81.03471	1.6
83.01401	2.9
85.02959	5.6
89.02477	2.2
99.00899	2.5
99.04530	54.5
100.04889	1.8
101.02449	26.9
113.02467	5.5
125.02456	13.2
143.03511	1.8
161.04572	5.3
221.10318	30.9
222.10721	1.9
263.11356	1.6
283.45703	1.2
283.49307	1.4
301.39688	1.4
340.66183	1.3
357.48044	1.2
365.14383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03457	71.0
59.01384	100.0
67.46539	1.5
68.15584	1.6
71.01392	13.4
73.02962	6.9
83.01420	4.1
85.02950	8.1
89.02460	4.9
95.05043	2.3
97.06611	5.9
99.04530	53.0
101.02457	27.7
113.02460	8.0
125.02472	13.3
143.03450	2.3
156.81232	1.6
159.06612	2.2
161.04590	7.7
221.10361	24.6
347.16940	1.9
365.14343	4.6
365.18225	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03448	3.1
59.01385	100.0
60.01710	0.8
71.01389	15.6
71.65047	0.5
72.99318	0.8
73.02950	6.2
83.01385	2.7
85.02956	8.1
87.00896	2.4
89.02450	5.2
95.01422	1.4
99.00906	2.5
99.04544	2.0
101.02454	17.8
113.02475	6.3
118.50924	0.6
119.03569	1.8
125.02495	0.6
143.03519	1.2
159.03015	1.5
159.08121	1.1
160.04036	1.9
161.04561	4.6
185.11861	0.9
204.03085	1.0
204.08769	2.0
207.73369	0.6
221.10297	1.1
263.34641	0.5
305.16168	4.3
347.16891	1.0
365.18185	92.3
366.18536	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03447	1.0
58.00613	0.5
59.01385	15.5
66.80708	0.3
67.82302	0.3
68.83530	0.3
69.38802	1.8
71.01389	9.4
71.05027	0.7
72.99328	0.6
73.02946	3.7
83.01392	2.3
85.02963	5.4
86.00101	0.7
87.00874	1.4
89.02455	3.4
92.37935	0.4
95.01407	0.9
95.55842	0.4
99.00892	0.8
101.02453	8.9
106.75008	0.4
111.00887	0.4
111.57907	0.4
113.02464	4.2
119.03525	1.0
127.11348	0.5
139.11279	0.9
157.12386	2.9
161.04530	0.7
185.11795	3.2
201.09631	0.4
203.12886	6.7
314.09332	0.4
333.63806	0.4
347.17139	1.0
365.18176	100.0
366.18549	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	365.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
93.68726	1.2
98.21923	1.4
105.01939	5.0
127.66768	1.1
255.57506	1.1
276.06497	1.2
277.21741	100.0
278.22159	9.4
343.33331	1.1
344.84427	1.1
365.27118	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
57.05540	1.0
59.01374	3.0
70.94913	1.5
80.20688	1.0
83.32849	1.1
96.96017	1.6
111.08171	9.9
138.53836	1.1
156.70470	1.0
167.10771	2.6
177.12920	1.8
177.33336	1.1
179.10780	1.9
192.89789	1.1
195.13931	8.3
217.69653	1.1
223.13750	1.1
247.20836	1.3
273.18625	1.0
291.19693	100.0
292.20013	10.7
336.88751	1.2
384.40942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08452	74.6
70.76023	100.0
86.16987	66.1
218.59024	65.3
309.07678	69.9
321.78998	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
58.62039	1.1
69.67474	4.3
85.06589	2.8
89.43788	1.0
95.86137	1.0
98.22655	1.9
100.37026	0.9
103.05286	1.0
150.84438	1.1
151.17967	0.9
171.04648	1.0
179.47093	1.0
181.12508	1.0
199.13385	2.6
214.18309	1.0
223.88301	1.3
261.18335	1.4
279.19669	23.2
327.99307	1.2
347.25903	7.6
365.26971	100.0
366.27271	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	366.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
68.90129	1.0
69.82024	3.2
79.95736	15.9
84.97781	1.0
90.03361	1.0
97.93002	1.2
106.03005	11.4
107.03781	4.2
110.79884	1.2
118.03001	52.8
121.02988	1.5
122.02507	1.1
123.00912	1.6
134.02516	9.0
142.94766	1.1
151.02797	11.6
156.71603	1.1
166.05115	71.0
167.05426	2.7
167.09070	1.1
169.94104	1.2
174.66948	1.1
176.03714	1.4
182.06084	1.9
209.04823	23.1
210.05594	14.6
211.03998	2.2
213.98193	4.6
228.07253	1.2
230.08133	1.4
246.00792	81.7
247.01031	5.5
254.04616	71.4
254.07376	1.9
255.04924	4.8
268.06186	49.5
269.06519	5.8
286.07233	77.3
287.07547	7.9
366.02917	100.0
367.03156	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	366.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80250	0.2
57.03455	3.9
57.36600	0.2
59.01387	4.8
61.45084	0.2
65.03440	0.2
69.63419	0.8
70.33916	0.2
71.01372	1.1
73.02966	0.4
85.02968	0.4
99.04530	3.5
101.02461	1.9
113.02458	0.2
116.04321	0.4
116.05069	3.3
125.02468	1.4
159.03285	0.7
160.04059	100.0
161.04419	5.5
204.03053	4.6
223.08235	2.6
265.09442	0.3
302.62503	0.2
316.32239	0.2
366.08322	16.4
367.08588	1.9
374.91159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65022	2.7
53.33460	3.1
57.03456	44.8
59.01388	58.2
61.63462	3.0
67.01892	14.4
70.34200	6.1
71.01386	13.3
73.02954	6.7
79.51478	3.1
83.01399	7.2
85.02951	9.2
87.00879	6.7
89.02434	6.7
93.03445	3.1
98.21995	3.3
99.04526	44.6
101.02456	19.9
108.93774	4.5
111.00894	100.0
111.19927	2.8
112.01250	3.9
113.02442	6.5
119.86432	3.1
123.04510	8.7
125.02454	20.5
141.70313	3.0
143.02304	5.5
143.03484	42.3
150.03206	4.3
151.03984	10.5
154.99883	6.4
159.31854	3.0
160.04012	4.7
161.04494	10.7
168.99944	5.7
176.08427	3.5
184.05309	3.3
187.04045	8.9
199.07553	3.3
202.06404	20.0
202.94377	7.8
217.08722	24.3
223.08250	24.5
261.07669	12.9
265.09247	4.7
280.95804	3.0
301.36700	3.4
304.96213	4.0
313.09256	3.3
367.12781	7.3
368.09897	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	367.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65022	2.7
53.33460	3.1
57.03456	44.8
59.01388	58.2
61.63462	3.0
67.01892	14.4
70.34200	6.1
71.01386	13.3
73.02954	6.7
79.51478	3.1
83.01399	7.2
85.02951	9.2
87.00879	6.7
89.02434	6.7
93.03445	3.1
98.21995	3.3
99.04526	44.6
101.02456	19.9
108.93774	4.5
111.00894	100.0
111.19927	2.8
112.01250	3.9
113.02442	6.5
119.86432	3.1
123.04510	8.7
125.02454	20.5
141.70313	3.0
143.02304	5.5
143.03484	42.3
150.03206	4.3
151.03984	10.5
154.99883	6.4
159.31854	3.0
160.04012	4.7
161.04494	10.7
168.99944	5.7
176.08427	3.5
184.05309	3.3
187.04045	8.9
199.07553	3.3
202.06404	20.0
202.94377	7.8
217.08722	24.3
223.08250	24.5
261.07669	12.9
265.09247	4.7
280.95804	3.0
301.36700	3.4
304.96213	4.0
313.09256	3.3
367.12781	7.3
368.09897	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	367.1037
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
57.03438	2.6
57.44440	0.5
59.01387	12.6
60.99324	1.5
67.01898	5.9
69.03443	1.2
71.01387	7.0
73.02936	0.9
77.76017	0.6
81.03464	0.9
83.05034	1.3
85.02952	8.7
87.00890	8.6
89.02450	4.4
93.03469	31.9
94.03831	0.7
95.50915	0.7
99.00874	1.5
99.04545	1.0
101.02437	3.2
109.02991	1.0
111.04527	4.5
113.02474	2.5
117.03486	1.4
119.03535	1.1
119.05078	1.4
123.04536	0.8
123.08217	0.7
127.04008	1.2
129.01938	0.8
134.03761	16.2
135.04105	0.9
137.02435	1.3
146.03766	1.0
147.02992	1.0
148.71623	0.6
149.06105	1.0
155.03564	0.8
160.01642	1.0
161.04527	0.9
163.04010	1.1
164.04868	0.8
173.04567	22.0
174.04897	1.2
174.06877	0.7
175.04028	1.2
175.07652	1.7
179.07143	0.8
186.06874	0.8
187.07596	0.7
188.04817	3.2
189.05661	1.2
191.01974	2.0
191.05632	100.0
192.05904	3.7
193.05038	6.6
196.05269	0.8
199.07721	0.9
203.07109	0.7
205.08684	0.8
205.14447	0.8
214.06458	0.8
217.08693	5.9
225.09201	0.7
233.11955	1.5
235.11986	1.0
243.10251	2.7
254.80232	0.6
261.11340	6.2
277.10803	0.6
308.30914	0.6
331.08383	0.6
343.85229	0.6
349.09332	2.5
359.85498	0.8
367.10345	9.2
367.19724	2.1
368.10410	0.9
382.23007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25851	1.5
55.01873	1.4
57.03455	88.9
59.01385	100.0
66.88528	1.3
69.98867	3.4
69.99212	2.5
71.01379	16.1
73.02943	6.5
81.03397	1.6
82.88979	1.3
83.01402	3.5
85.02943	7.4
85.22769	1.5
87.00851	1.7
89.02447	2.6
99.04527	64.1
100.04842	2.8
101.02457	37.0
102.05395	1.3
113.02449	6.6
125.02455	34.3
159.03011	1.7
160.04074	8.2
160.25412	1.4
161.04538	22.4
205.07155	2.4
219.24501	1.5
221.19034	1.3
223.08241	49.8
224.08684	2.8
265.09277	8.9
367.08380	2.9
367.12476	5.5
388.63986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03454	100.0
59.01385	97.2
59.01624	1.1
60.18768	1.5
71.01385	20.7
73.02953	7.0
81.03456	2.3
81.73434	1.5
83.01394	3.9
84.48663	1.7
85.02961	7.5
89.02453	3.0
99.04530	68.5
99.05190	3.3
101.02452	40.4
102.02805	1.9
113.02441	7.3
125.02456	28.0
133.18359	1.7
134.35385	1.5
143.03612	3.0
148.58221	1.7
159.03035	2.8
160.04047	14.5
161.04472	33.3
204.85681	1.6
223.08240	45.1
224.08612	2.1
265.09378	10.0
367.08746	3.8
367.12589	6.1
375.38681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53944	1.2
55.01868	2.1
57.03454	89.1
59.01384	100.0
69.36321	6.7
70.36322	1.1
71.01393	17.3
73.02947	8.0
75.00884	1.7
76.50214	1.2
83.01396	3.1
85.02953	9.3
89.02501	1.4
99.00912	2.3
99.04529	68.6
101.02454	39.0
113.02451	7.9
116.81763	1.4
125.02464	26.6
129.21484	1.5
136.26378	1.4
143.03505	3.2
159.03030	2.2
160.04054	16.5
161.04463	32.9
203.59697	1.3
205.07257	1.9
223.06451	1.5
223.08249	44.5
265.09308	11.0
304.80420	1.4
305.12466	1.6
347.88956	1.3
367.08588	4.6
367.12558	3.1
387.02603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	93.6
57.78746	1.6
59.01388	100.0
70.26218	4.5
71.01394	18.1
73.02959	9.8
74.53749	1.5
83.01405	6.1
85.02966	9.6
87.00887	3.2
87.16650	1.8
89.02452	2.8
96.53414	1.7
99.00861	2.7
99.04531	69.8
99.21882	1.8
101.02460	40.1
111.00881	4.2
113.02480	8.4
125.02464	30.7
140.93825	1.7
143.03552	4.7
159.03003	3.4
160.04062	12.7
161.04488	26.9
168.99893	2.0
223.08270	44.5
265.09204	8.7
298.34869	1.9
305.12424	2.0
367.08420	3.7
367.12589	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	367.125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24648	2.3
51.30566	2.4
57.03448	85.1
59.01383	100.0
67.01892	7.5
67.44638	2.8
69.40377	13.6
71.01389	23.8
73.02950	11.7
83.01377	7.5
85.02953	17.1
87.00879	7.5
89.02472	9.4
93.03436	2.9
99.00899	3.5
99.03915	4.6
99.04525	66.6
101.02446	41.1
108.93736	3.5
111.00885	66.5
113.02477	12.6
123.04532	5.2
125.02470	29.0
129.01955	4.8
143.02469	3.5
143.03514	20.4
150.03194	3.5
151.04004	8.4
154.99834	3.2
158.99738	2.8
160.04050	7.8
161.04517	22.7
168.99910	3.6
174.05408	2.7
184.05243	5.2
187.04018	9.9
202.06357	18.4
202.94336	8.6
217.08684	19.4
223.08241	47.3
228.92271	3.2
243.06572	3.5
246.93221	2.8
261.07632	10.9
265.09311	9.2
304.96085	5.7
313.09381	5.3
367.12360	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84274	1.5
55.01894	8.7
57.03432	4.6
59.01387	51.0
59.84691	1.5
64.09029	1.7
69.03466	2.1
69.35635	7.9
71.01389	61.8
73.02954	45.1
77.15966	1.9
80.50049	1.5
83.01398	12.8
85.02962	32.6
87.00871	4.4
89.02455	15.8
90.72150	1.6
94.13937	1.6
95.01385	4.0
96.25320	1.6
97.02940	3.1
98.22627	3.5
99.00890	11.3
101.02460	74.4
102.02806	2.0
109.76004	1.6
111.00813	1.6
113.02461	29.3
115.04006	2.5
119.03529	2.6
125.02500	4.1
131.03496	3.2
139.93863	1.8
141.12727	1.5
143.03456	3.1
159.02997	6.0
161.04581	27.3
165.21599	1.5
167.36046	1.9
233.06816	2.0
235.11884	100.0
236.12325	5.3
241.72594	1.8
266.06683	1.8
350.70566	1.8
367.16113	77.5
368.16470	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	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37114	0.9
53.84053	0.8
55.01880	5.9
57.03437	3.5
59.01384	42.2
61.47157	1.0
63.52391	1.0
70.20100	1.7
70.20422	1.5
71.01390	48.7
72.01723	1.0
72.99348	1.0
73.02953	32.3
83.01394	10.1
85.02470	1.5
85.02962	26.8
87.00873	3.5
89.02451	10.9
95.01379	3.8
97.02956	2.1
99.00894	10.4
101.02453	68.9
102.02776	1.4
108.53506	1.0
111.00877	1.8
113.02466	21.8
115.04001	1.3
125.02462	2.6
129.01941	1.8
131.03581	2.7
143.03508	1.3
149.04620	1.1
159.03050	5.0
161.04593	19.4
204.29874	0.9
233.06642	1.4
235.11882	100.0
236.12189	2.9
268.66287	1.0
272.54926	1.0
367.16107	66.2
368.16428	3.2
391.43552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.8
57.03443	5.8
59.01384	49.5
62.83151	1.1
69.03470	1.9
69.49009	3.2
69.49413	2.0
71.01389	65.7
73.02953	40.3
83.01398	13.1
85.02962	35.8
86.00092	1.2
86.06237	1.2
87.00869	4.2
89.02462	15.1
92.66011	1.2
95.01401	3.0
97.02941	2.8
99.00887	9.6
101.02454	66.8
111.00887	2.5
113.02462	27.1
115.04002	1.8
119.03531	1.6
125.02471	3.2
129.02000	1.3
131.03502	3.4
140.40672	1.1
143.03470	3.1
149.04529	1.2
159.03026	6.1
161.04572	24.0
162.04788	1.3
167.29964	1.1
190.63068	1.0
205.24644	1.3
233.06721	2.3
235.11890	100.0
236.12228	5.1
367.16110	76.7
368.16550	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1656
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01382	2.6
59.66516	1.3
61.54045	1.1
69.97507	1.1
75.00878	2.7
91.05524	2.0
92.05069	43.0
93.05424	1.8
96.96022	1.7
100.07696	48.2
100.08351	2.5
101.70771	1.1
111.28161	1.1
118.03044	1.1
136.04056	62.9
137.04376	3.2
144.04561	2.7
152.08459	1.5
162.09244	1.6
163.11334	1.8
165.12904	3.1
196.67888	1.1
202.12349	1.4
204.13913	6.3
207.10202	1.1
207.98682	1.0
209.11974	1.2
209.15526	1.1
222.09250	48.5
223.09654	3.3
224.34612	1.1
247.20773	2.2
291.19720	15.5
292.20172	2.1
293.21423	2.6
309.17151	1.4
309.20679	19.7
309.24011	1.7
310.21054	2.1
313.17853	2.6
331.18921	18.0
367.16623	100.0
368.16910	11.2
377.63562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.9
60.32097	0.6
63.06190	0.5
64.28609	0.5
71.01383	1.3
89.02456	1.0
103.10390	0.7
117.01922	3.9
118.98885	0.7
135.02988	2.6
142.17592	0.6
205.19637	1.0
231.17519	0.8
249.18604	100.0
250.18944	10.1
295.54681	0.5
367.21109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00988	0.7
59.01381	3.9
69.08935	3.1
69.09342	1.0
70.53971	0.5
71.01395	0.9
80.38358	0.5
83.04990	0.7
98.22700	1.2
121.68261	0.7
135.03050	0.8
174.02756	0.6
178.99553	0.6
180.09680	0.6
186.39790	0.5
193.00963	0.5
202.98697	0.6
205.19669	0.7
215.79416	0.6
231.17567	1.2
249.18622	100.0
250.18980	8.9
282.49484	0.6
367.21228	1.1
385.51941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.06112	0.7
70.65183	1.1
82.41930	0.5
83.01366	0.7
103.83999	0.7
130.69310	0.7
133.06601	10.6
143.91507	0.5
149.09732	98.0
150.10085	4.4
205.15996	54.8
206.16312	3.6
226.13190	0.6
243.99332	0.7
295.17087	3.6
328.16809	2.2
350.93448	0.7
367.26428	100.0
368.26764	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20370	0.3
62.93374	0.3
64.51756	0.4
70.63946	0.5
70.64274	0.4
133.06606	1.4
149.09735	55.9
150.10065	2.9
205.15993	54.9
206.16327	4.5
217.75009	0.4
319.46796	0.4
367.26434	100.0
368.26767	14.7
386.40814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98875	0.9
59.01381	2.2
60.14970	1.1
67.01881	1.0
69.06711	7.2
71.01382	2.7
72.99310	1.2
74.99379	2.5
78.95916	2.1
82.99896	3.8
83.01395	4.8
85.02958	52.5
89.02470	1.8
93.03423	1.3
101.02480	1.2
111.00870	12.6
125.00997	2.4
125.02471	1.5
127.02533	1.2
129.01961	40.2
130.59615	1.2
132.98276	1.5
133.02983	1.9
141.00433	2.2
143.02019	59.8
144.02174	4.7
146.06157	2.2
150.98888	11.6
151.00111	3.7
151.86739	1.2
165.04097	4.8
167.05658	10.0
168.99947	81.0
170.00090	7.5
173.00931	5.9
184.97681	3.1
191.02072	7.1
191.03714	1.3
191.05656	4.2
193.03560	5.5
194.97725	1.7
194.99297	1.5
209.03090	2.1
211.04634	22.9
212.04868	2.5
212.98924	100.0
213.99092	11.7
214.42183	1.0
219.01495	15.7
220.01608	2.6
226.98854	3.5
237.02602	16.4
238.02771	2.1
244.99338	1.9
248.96045	1.8
252.02466	1.2
263.00491	22.0
264.00571	3.1
270.97763	1.5
281.01505	13.9
300.94965	1.1
306.99567	14.0
308.93280	3.3
322.55295	1.0
325.00531	9.6
326.00958	1.4
342.96698	4.5
350.98428	5.1
368.99545	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	368.995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65951	1.6
57.03451	1.5
59.01370	3.2
66.90255	1.4
69.89422	4.1
82.99915	4.0
83.01396	6.6
85.02958	84.2
86.03315	2.5
92.59272	1.3
105.05033	1.4
111.00890	12.8
125.00986	2.8
129.01958	78.8
130.02277	2.0
143.02020	52.2
144.02122	4.9
147.03038	2.3
150.98865	17.6
151.00142	7.6
165.04056	4.4
167.05655	9.6
168.05748	2.0
168.99945	78.1
170.00121	7.2
173.00887	10.3
175.02605	2.3
191.02016	6.1
191.05525	2.4
193.03537	6.5
194.99236	2.2
209.03157	2.1
211.04649	23.6
212.04807	2.7
212.98933	100.0
213.99074	10.8
216.99632	1.5
219.01491	20.2
220.01709	2.0
237.02568	17.7
238.02829	2.0
244.99516	2.7
248.20346	1.3
263.00534	24.0
264.00656	2.5
281.01523	17.0
282.01825	1.9
306.99481	14.2
307.99640	1.4
325.00516	11.8
350.98535	5.4
351.98520	1.7
368.99625	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	369.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
65.18304	0.7
68.99787	0.8
71.01390	1.1
71.41519	1.0
82.00625	0.8
87.00894	6.9
89.03979	1.3
93.03463	3.1
95.01431	1.0
97.06617	6.5
107.05042	4.0
108.02203	2.6
109.02975	1.6
110.00111	2.0
111.00925	3.8
112.05312	4.3
113.82920	0.7
117.03503	1.9
119.05083	1.6
121.02969	24.6
122.03757	2.7
123.00889	2.9
123.04555	1.8
124.04370	0.9
136.01634	0.9
137.02458	14.8
143.05046	1.0
145.02965	4.2
147.04524	9.1
148.05347	1.7
149.02480	1.0
149.06027	1.3
161.02458	6.4
163.04034	5.5
164.04840	2.1
165.05606	1.2
167.05063	1.9
168.05717	1.3
168.15707	0.8
169.06573	1.2
173.02463	1.1
180.05740	0.9
181.06622	0.9
189.01935	9.4
190.02596	0.7
191.03571	2.9
192.04294	1.8
193.05074	1.9
193.06618	6.7
195.04602	2.0
196.05389	1.3
197.06102	2.8
201.05583	4.9
201.09279	1.3
205.06383	1.0
209.06137	4.8
219.04457	1.9
220.05266	0.9
221.06090	14.5
222.06602	1.8
223.03926	1.2
225.05551	0.8
232.05408	0.8
236.04851	1.2
237.05637	9.3
238.06215	2.6
241.44379	0.7
247.04041	3.0
248.04724	2.5
249.05608	3.3
264.04294	3.2
265.05090	58.2
266.05777	20.0
267.06168	2.0
275.03668	0.8
276.04065	1.1
281.08118	1.5
293.04605	8.1
294.05014	1.7
309.09830	4.5
325.07199	100.0
326.07532	9.7
334.45300	0.8
337.03537	1.1
351.10867	3.2
367.20474	0.8
369.06784	1.8
369.11923	33.2
369.22733	3.1
370.12308	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	369.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
56.55323	1.9
57.01595	2.1
57.03439	4.1
59.01388	14.7
60.99296	5.0
61.98838	10.2
67.01889	10.5
69.03467	3.7
71.01382	16.4
71.44227	1.7
72.99312	26.2
73.02920	4.5
75.00881	9.4
81.03457	27.5
83.01388	3.4
84.13873	1.8
85.02954	39.4
87.00889	18.7
89.02456	6.8
93.03469	62.0
95.05033	4.3
97.02928	2.7
99.00883	20.0
101.02442	5.8
105.03481	6.3
107.05026	3.9
109.02954	6.5
111.04556	10.9
113.02460	8.0
114.15621	2.2
115.33560	2.3
117.01933	3.2
117.03483	5.7
119.03526	2.2
119.05060	5.5
123.04530	5.7
125.02460	67.9
127.04032	2.2
129.01949	22.1
133.02975	74.4
134.03377	2.7
135.04524	5.2
143.03506	11.2
145.02954	13.7
147.03027	13.1
147.04063	1.9
147.04413	1.6
149.02428	3.2
150.03236	3.1
151.03967	2.7
151.53706	2.0
155.03450	3.0
161.04578	6.5
163.04016	4.6
169.01398	2.4
173.04567	52.6
177.01942	12.3
190.99947	2.7
191.02054	3.9
191.05629	86.4
192.05989	4.9
195.02945	14.9
205.03549	77.3
206.02190	3.7
206.03874	3.6
207.02946	2.4
207.06517	2.8
215.05629	9.8
223.04604	100.0
224.04921	2.8
258.03146	2.0
307.08276	2.0
320.48804	2.0
351.07166	15.3
369.07959	12.4
369.12012	8.7
370.20270	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	369.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01381	22.7
60.99321	2.5
61.98836	19.7
67.01892	9.6
69.03464	3.5
69.84534	7.0
71.01383	18.6
72.99307	29.4
73.02950	4.8
75.00880	8.6
81.03471	22.0
82.03796	2.3
82.41582	2.1
83.01402	2.4
83.05027	2.7
85.02959	40.3
87.00879	22.0
89.02477	5.8
93.03466	72.7
95.05067	4.0
98.22673	2.2
99.00882	22.9
99.04531	3.4
101.02447	7.1
105.03470	9.2
107.05052	3.0
109.02977	5.7
111.00909	4.1
111.04508	10.0
113.02447	8.0
117.01992	4.3
117.03518	2.6
119.05121	4.8
121.03030	1.9
123.04554	6.0
125.02454	67.5
126.02753	2.4
129.01953	25.3
131.01836	2.3
131.03557	3.1
133.02968	72.8
134.02446	3.2
134.03432	3.2
135.04536	4.9
143.03545	10.3
145.02940	12.5
145.46922	2.4
147.02997	12.8
151.04054	2.9
161.04611	5.6
163.04074	4.9
169.01355	2.5
173.04559	53.2
174.04874	2.4
177.01964	15.4
191.00000	3.4
191.01999	7.8
191.05618	79.2
191.07344	4.3
192.05986	4.1
195.03018	14.6
205.01624	3.7
205.03555	77.1
206.02158	2.9
206.04008	2.7
206.91559	2.2
206.99832	2.6
207.06602	4.6
215.05630	8.3
223.04608	100.0
224.04950	4.6
285.29840	2.2
307.08273	4.4
351.07162	16.1
369.08087	8.5
369.12155	6.9
370.20203	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	369.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.4
57.03442	4.9
59.01382	74.0
59.13468	1.1
61.98830	2.4
65.00324	3.2
67.01881	1.3
68.99815	1.1
69.03441	1.3
70.24953	2.4
70.25310	1.8
71.01386	75.8
72.01732	1.1
72.99315	3.3
73.02949	31.1
73.17032	1.0
75.00885	2.4
78.95897	1.9
81.03474	2.7
83.01385	13.7
85.02958	40.0
87.00891	10.0
89.02450	28.9
90.97150	2.4
95.01407	4.1
97.02954	4.4
99.00880	13.1
101.02450	78.2
102.02801	2.0
109.02935	5.2
110.02504	4.9
111.00891	6.1
112.04053	16.0
113.02457	29.8
114.02847	1.0
115.04035	1.9
119.03516	4.5
121.02948	1.2
122.03781	2.1
123.04539	22.4
125.02472	7.6
129.01958	2.8
130.08733	6.4
131.03485	5.4
132.98213	7.0
133.02968	2.9
136.04050	7.0
143.02022	5.5
143.03535	6.9
149.02498	2.3
149.04597	3.7
150.03233	30.1
150.98878	1.7
151.04021	100.0
152.03543	3.6
152.04517	2.6
156.98235	1.6
159.02968	5.5
161.04576	34.4
164.07173	6.9
168.99922	8.4
173.04655	2.0
174.05627	1.5
174.99313	1.2
179.05577	5.7
182.99846	1.2
184.97673	13.6
189.07568	1.0
190.08783	13.4
191.02136	1.1
191.05663	7.6
193.05019	1.0
198.99312	3.3
202.24763	1.2
205.03568	1.3
206.95021	6.1
207.08734	24.7
208.09627	1.9
211.04689	2.7
212.98987	8.5
219.01517	1.6
223.04712	1.9
226.98749	15.4
232.92992	1.4
233.06749	3.7
237.02449	1.5
237.09805	56.8
238.10161	2.2
248.96089	13.9
263.00546	1.4
270.97806	1.7
272.96008	6.2
274.97696	2.0
281.01572	1.8
282.94974	2.0
288.07751	3.6
293.08887	1.3
296.96072	2.8
298.97592	2.5
300.95551	6.7
308.93222	3.7
308.96707	1.1
313.09305	33.1
314.09775	2.6
314.97189	10.2
315.09830	3.0
316.98697	9.3
322.01541	1.0
330.96744	1.7
331.10117	10.8
342.96616	58.9
343.97192	2.6
368.94412	2.9
369.14066	69.5
370.14877	10.9
390.53323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33211	0.4
66.91387	0.4
69.81881	1.3
70.79887	0.3
93.03445	0.8
103.79359	0.4
108.02185	5.7
109.02235	0.9
109.02965	17.7
110.03277	0.7
115.05562	0.9
119.05043	2.5
119.95287	0.4
121.02967	1.6
122.03746	0.5
123.04549	0.9
125.85394	0.4
129.03445	1.4
130.04239	0.6
131.05060	0.9
133.02922	0.4
134.03700	0.7
136.01675	1.4
145.02951	1.8
146.03748	16.1
147.04541	14.7
148.04881	0.6
151.04019	1.7
158.03745	5.7
159.04530	17.9
160.04945	0.8
174.03197	1.4
175.04025	13.7
197.06062	0.6
198.06921	0.9
205.05060	0.6
211.07677	2.3
212.08136	0.5
219.02989	1.3
221.05962	0.5
223.07776	0.4
225.05606	1.1
239.07158	4.1
240.07863	1.9
249.05722	0.7
250.06276	1.0
251.07118	1.8
252.07880	0.8
253.05025	0.6
266.05704	0.6
267.06635	9.6
268.07419	78.0
269.07742	7.5
283.09775	100.0
284.10129	10.4
327.08762	5.9
328.09198	0.7
355.61279	0.4
371.08014	0.8
371.24539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03428	2.8
59.01384	100.0
59.18836	1.4
60.01725	1.6
61.01830	1.6
70.82582	2.0
71.01386	43.0
72.99323	2.0
73.02956	4.4
74.66650	1.4
75.00877	1.8
83.01380	5.6
84.04551	1.3
85.02959	13.5
87.00883	9.4
88.04056	5.4
89.02449	49.6
90.02816	1.3
95.01393	3.1
99.00903	1.7
99.70322	1.5
101.02445	32.0
102.02774	1.6
102.05617	4.1
105.01956	3.7
108.02264	1.8
109.02927	1.4
111.00888	1.7
113.02457	14.3
116.07187	2.1
119.03513	22.3
119.04969	7.5
121.02969	71.3
122.03293	2.1
122.55762	1.6
124.05251	1.4
127.04029	7.7
128.03548	8.6
129.10342	3.8
130.08716	7.7
131.03528	1.8
135.04533	3.2
137.28439	1.5
143.11911	2.3
144.11459	2.3
146.04601	1.7
147.04506	1.6
150.03369	1.4
153.67468	1.4
159.03148	1.2
159.53458	1.3
161.04608	2.8
162.98381	1.4
165.05626	3.6
178.01382	2.3
179.05688	2.2
191.07185	1.5
191.10878	2.2
193.05090	1.4
209.02957	3.3
209.08275	2.1
210.04147	1.5
225.16046	1.6
237.12340	3.4
243.17174	5.2
249.06149	33.2
250.06471	2.5
328.22543	1.7
371.09735	7.4
371.13269	2.4
371.16925	3.0
371.22733	5.3
371.26956	6.7
372.21527	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23925	1.2
54.25462	0.8
57.03441	4.3
57.61488	0.8
59.01381	25.1
59.83722	0.9
60.01726	1.0
67.01901	1.0
68.99809	1.9
69.03455	1.9
69.31805	1.1
69.48578	1.8
69.48959	2.8
71.01382	19.4
72.99317	5.4
73.02949	2.5
75.00876	17.7
79.05933	0.8
81.03492	1.1
83.01379	1.4
85.02956	21.4
87.00873	5.7
89.02436	3.6
89.79945	1.0
93.03439	1.1
95.01384	4.7
98.21930	1.8
99.00883	11.1
103.00385	2.9
105.23179	1.0
111.00902	1.3
111.04585	0.8
113.02457	23.3
115.00401	2.3
117.01942	2.8
121.02962	100.0
122.03289	3.8
129.01988	1.7
175.02475	3.9
184.12862	0.9
189.04066	1.0
231.05101	6.7
249.06161	70.8
250.06497	3.3
353.08847	1.1
371.09833	48.0
372.10229	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	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01867	2.3
57.03459	3.8
59.01385	22.5
67.01881	1.1
68.99806	0.8
69.03467	1.3
69.24017	1.7
69.24442	3.6
71.01018	1.3
71.01385	16.9
72.99322	6.1
73.02956	3.6
73.99613	0.7
75.00880	18.6
83.01382	1.4
85.02961	24.8
87.00889	9.0
89.02459	3.5
93.03472	0.9
93.15746	1.0
95.01396	5.7
97.02969	1.0
99.00894	11.6
101.02460	2.0
103.00391	3.9
111.00902	1.3
113.02463	31.1
114.02766	1.0
115.00379	1.7
115.47864	0.7
117.01945	2.9
121.02968	100.0
122.03304	4.1
124.02238	1.1
129.01935	3.1
135.04539	2.6
152.01756	1.8
154.94548	0.8
157.01476	1.7
169.05046	0.8
175.02498	4.3
193.03500	1.9
209.06630	7.6
209.34375	1.0
231.05113	3.1
249.06168	25.8
250.06427	1.3
257.20779	0.8
312.12219	1.1
326.21127	0.8
353.08743	1.1
371.09848	59.3
372.10297	6.8
372.21783	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88109	0.5
55.01881	1.2
57.03447	3.1
59.01384	21.7
67.01897	0.9
68.99828	2.3
69.03467	2.0
69.28494	3.5
71.01389	17.4
72.98972	0.6
72.99303	4.2
73.02944	2.7
75.00880	19.3
81.03459	1.2
81.51640	0.6
83.01405	1.8
85.02958	20.3
87.00888	6.2
89.02470	3.9
93.03480	1.0
94.34138	0.5
95.01388	5.0
96.01715	0.6
97.02942	0.9
98.21800	0.9
99.00881	12.6
103.00391	1.7
108.83646	0.6
109.02931	0.9
111.00864	1.3
113.02463	27.1
115.00384	2.4
117.01927	3.5
118.54148	0.5
121.02967	100.0
122.03304	3.9
129.01968	1.8
137.52168	0.6
157.01523	1.0
164.40781	0.6
175.02530	3.1
189.04126	0.9
216.66299	0.6
231.05095	6.0
249.06165	73.1
250.06465	3.2
353.08868	1.4
371.09818	47.4
372.10309	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	371.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47403	0.5
54.08593	0.6
57.03440	0.7
59.01126	0.8
59.01385	9.5
60.99309	0.6
61.98813	1.2
63.00490	0.5
67.01894	3.7
69.03460	1.1
69.44490	2.5
71.01382	3.3
71.73045	0.4
72.99329	0.6
73.02914	0.6
81.03461	1.0
83.05042	1.3
85.02954	10.6
87.00890	5.9
87.47038	0.5
89.02437	0.5
93.03462	20.8
94.03777	0.9
97.74767	0.5
99.00873	0.8
99.04536	0.6
101.02465	0.9
107.05109	0.5
109.02956	1.4
110.95028	0.5
111.00893	1.2
111.04536	4.1
113.02448	0.8
122.00575	0.5
122.03744	0.8
123.04536	1.8
127.04015	2.4
128.13539	0.5
129.01920	1.0
135.04536	29.5
136.01656	0.9
136.04839	2.2
137.02461	2.0
137.06128	0.6
153.05556	2.7
155.03490	1.7
158.00983	0.5
161.02496	1.1
161.04550	0.9
165.05586	0.8
167.03423	0.6
171.02954	0.5
173.04564	41.2
174.04926	1.9
179.03529	2.6
191.05621	100.0
192.05956	4.1
197.04507	2.0
209.03041	1.5
238.51959	0.6
240.92947	0.6
252.95726	0.8
311.13782	0.7
341.08749	5.1
349.98648	0.5
353.08820	3.0
371.09863	24.6
372.10226	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	371.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	98.0
61.98816	16.1
65.86688	7.7
69.80447	25.9
69.90774	9.0
71.01373	21.4
80.34244	8.6
85.02950	25.4
86.51804	7.8
87.00883	29.6
111.00889	9.9
113.02449	11.3
133.39725	8.0
135.04526	38.0
151.04045	12.3
165.05583	10.9
173.04543	23.1
191.05634	100.0
199.69221	8.8
231.45981	9.0
307.30560	8.6
332.76529	8.6
335.13406	12.3
371.09955	69.4
372.09906	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	371.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19879	5.2
57.03451	9.3
59.01392	12.2
69.03456	4.7
69.10420	3.7
71.05022	35.9
73.02949	6.5
81.03454	14.8
83.05024	4.6
86.06828	4.8
95.05053	14.1
97.06593	17.2
105.99088	3.8
109.06608	5.9
110.03725	5.2
111.04536	17.1
123.08181	24.6
125.09734	70.1
127.11282	4.8
128.03595	5.6
133.06573	7.0
137.06125	5.2
139.07655	5.3
151.07690	30.7
167.07132	28.7
171.10217	23.3
177.99730	4.4
187.09798	7.6
201.11369	8.4
202.99234	15.4
205.12331	7.0
213.11343	16.4
215.12903	61.0
216.13089	5.2
223.09882	4.9
249.11284	17.5
254.85382	4.3
265.14346	11.6
279.02460	4.1
285.14929	28.9
303.16119	67.1
304.16489	6.3
321.17130	100.0
322.17465	8.7
339.00912	8.7
339.18182	6.1
371.03506	9.4
371.20627	5.4
371.24484	39.2
372.24908	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	372.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12430	3.1
59.01386	30.0
61.98838	100.0
67.01873	4.6
70.03807	3.8
71.01375	8.1
75.68369	3.5
78.80141	3.5
85.02954	9.5
85.15240	3.3
86.03272	4.7
87.00911	3.8
89.02462	7.1
93.03459	15.1
94.03003	5.2
94.03799	3.7
100.83409	3.4
113.02477	4.1
134.03761	23.4
135.04530	10.4
136.01688	12.9
136.04851	8.3
149.06091	30.3
151.04022	21.1
161.47635	3.3
167.99773	8.5
172.88635	4.5
173.04570	14.7
174.01958	4.1
174.04890	11.4
191.05624	42.6
192.03188	16.1
192.05940	32.1
193.04973	5.4
211.06070	13.4
214.98888	3.7
219.60628	4.1
336.16510	7.3
372.10110	24.8
372.14209	20.7
373.11334	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	100.0
62.58114	46.9
102.51616	44.1
117.77406	43.1
254.84654	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48947	27.6
61.98840	74.5
69.80309	100.0
69.80659	34.4
71.09889	33.4
98.22610	35.3
119.77705	29.4
199.44966	27.7
205.80768	29.7
209.99001	29.4
271.13397	27.5
279.56979	26.1
310.51871	29.6
320.43591	34.0
369.36267	27.2
395.86066	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39542	85.7
50.86691	73.5
70.98889	100.0
91.24305	65.3
91.95225	74.3
179.94348	70.8
184.90074	76.1
240.10847	71.0
246.56496	69.6
317.30493	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1145
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.78930	1.0
52.22544	1.0
55.01881	1.1
58.01549	1.0
59.01384	43.1
70.98746	1.0
71.01393	19.3
71.12770	0.9
72.99319	2.4
73.02964	2.7
73.04033	1.0
74.02462	1.0
75.00863	1.9
82.59624	1.1
83.01402	2.5
85.02959	6.1
85.24418	1.0
87.00883	3.6
89.02466	17.4
94.06631	3.0
95.01363	2.2
96.96004	1.4
97.12405	1.0
101.02452	12.0
103.46355	1.0
107.01453	1.3
109.02959	1.1
111.00883	2.3
113.02448	6.9
119.03510	6.2
123.00891	2.0
123.04520	1.1
124.07656	2.2
125.02467	1.8
129.02029	1.1
129.10329	1.7
132.60332	1.1
137.02451	3.5
138.03239	5.8
139.00365	1.1
139.04076	5.1
150.03168	2.3
151.04019	3.2
152.01198	1.4
152.04787	2.4
153.01949	2.4
153.05583	5.7
161.04568	2.4
163.00601	1.3
165.01982	6.5
165.30904	1.2
167.03458	2.0
168.06691	4.0
177.01924	2.8
178.02733	25.1
179.03412	3.8
180.00658	23.1
180.04272	6.7
181.01422	8.4
182.02170	2.6
185.21143	1.1
193.05067	45.5
194.05399	1.8
195.02995	44.1
195.06612	1.5
196.03770	12.0
197.04539	4.1
209.04468	1.3
211.06126	15.2
212.05765	1.6
225.04085	2.7
254.03674	1.4
330.11935	2.5
343.19669	1.5
358.09027	8.7
373.11392	100.0
373.21451	3.7
374.07410	1.6
374.11609	8.1
374.16275	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	373.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78930	1.0
52.22544	1.0
55.01881	1.1
58.01549	1.0
59.01384	43.1
70.98746	1.0
71.01393	19.3
71.12770	0.9
72.99319	2.4
73.02964	2.7
73.04033	1.0
74.02462	1.0
75.00863	1.9
82.59624	1.1
83.01402	2.5
85.02959	6.1
85.24418	1.0
87.00883	3.6
89.02466	17.4
94.06631	3.0
95.01363	2.2
96.96004	1.4
97.12405	1.0
101.02452	12.0
103.46355	1.0
107.01453	1.3
109.02959	1.1
111.00883	2.3
113.02448	6.9
119.03510	6.2
123.00891	2.0
123.04520	1.1
124.07656	2.2
125.02467	1.8
129.02029	1.1
129.10329	1.7
132.60332	1.1
137.02451	3.5
138.03239	5.8
139.00365	1.1
139.04076	5.1
150.03168	2.3
151.04019	3.2
152.01198	1.4
152.04787	2.4
153.01949	2.4
153.05583	5.7
161.04568	2.4
163.00601	1.3
165.01982	6.5
165.30904	1.2
167.03458	2.0
168.06691	4.0
177.01924	2.8
178.02733	25.1
179.03412	3.8
180.00658	23.1
180.04272	6.7
181.01422	8.4
182.02170	2.6
185.21143	1.1
193.05067	45.5
194.05399	1.8
195.02995	44.1
195.06612	1.5
196.03770	12.0
197.04539	4.1
209.04468	1.3
211.06126	15.2
212.05765	1.6
225.04085	2.7
254.03674	1.4
330.11935	2.5
343.19669	1.5
358.09027	8.7
373.11392	100.0
373.21451	3.7
374.07410	1.6
374.11609	8.1
374.16275	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	373.1508
Annotation	Deoxyloganin
Peak:m/z	Relative Intensity
55.01871	4.1
57.03453	2.0
58.00597	3.8
58.95490	1.3
59.01385	47.3
63.96260	2.8
71.01388	30.3
73.02958	11.8
75.00845	1.2
75.61800	1.2
83.01400	7.0
85.02961	16.3
87.00881	5.9
89.02457	12.2
95.01405	3.8
96.96053	1.5
99.00891	3.4
101.02453	30.6
109.02977	2.3
111.00944	1.4
113.02473	13.0
117.93304	1.0
117.97328	19.2
118.12157	1.1
119.03535	3.6
132.97191	1.2
134.03761	3.8
135.04518	6.8
137.02443	2.6
143.03502	1.4
146.06133	3.5
148.07687	2.7
149.06105	1.2
151.00412	2.6
151.04015	2.0
161.04596	3.6
163.04024	3.9
165.05667	2.7
179.03558	2.5
181.05089	14.5
182.05881	1.4
188.07175	1.1
189.38480	1.4
194.01042	2.4
196.07449	21.3
197.08038	2.1
204.06662	2.1
205.07442	1.7
211.09776	43.7
212.10101	2.6
213.05600	1.3
229.15874	5.4
241.05136	1.6
242.05836	2.1
257.08167	2.7
268.02695	3.9
271.14590	1.8
281.10114	1.7
285.11505	1.4
286.14233	1.2
329.10745	1.9
329.15100	6.3
349.77936	1.2
354.44995	1.4
355.03223	2.5
355.13229	1.1
358.12668	5.4
373.04971	2.1
373.14920	100.0
374.15906	11.0
374.23392	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03457	0.7
59.01383	100.0
60.01701	1.4
67.15974	0.7
67.93211	0.7
69.28498	1.6
69.28911	2.2
71.01388	6.7
72.97552	1.7
73.02958	5.6
83.01387	0.8
85.02986	2.0
87.00900	1.1
89.02450	4.8
95.01405	0.9
98.22623	1.6
101.02453	5.8
108.04611	0.8
113.02477	4.6
119.03471	1.2
134.06165	0.9
153.09244	0.9
168.67865	0.7
169.03372	0.8
229.05177	2.0
358.09409	1.6
373.22681	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50864	0.3
54.81487	0.3
59.01388	13.2
69.75436	1.1
93.03474	2.4
97.06603	0.4
106.04238	0.5
109.06580	0.5
113.06181	0.5
119.05015	0.6
125.06110	0.8
127.07641	0.3
127.11251	0.4
128.66223	0.3
141.09174	0.4
148.08972	1.4
150.10486	1.4
151.11232	0.6
163.11266	0.9
165.12865	23.8
166.13214	1.5
175.11223	0.6
176.12102	0.6
177.12877	0.9
191.14441	0.7
244.10817	4.7
245.19022	0.4
247.20688	13.4
248.21057	1.0
273.18643	6.3
274.18991	0.5
291.19690	100.0
292.20010	11.3
313.17892	11.9
314.18182	2.0
373.19977	11.9
374.20300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
67.26828	13.8
71.01404	31.7
71.87027	13.7
75.00899	15.2
85.16055	13.6
89.02464	30.5
101.02513	17.3
103.94430	13.0
121.02894	13.2
123.04504	13.4
169.48169	12.9
177.02011	15.0
201.00714	15.4
203.84573	14.5
217.14226	14.8
374.19046	21.0
374.23459	75.5
375.16245	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	374.2341
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
55.68415	0.2
57.03449	0.5
57.22724	0.2
59.01388	1.3
61.95949	0.2
69.03456	0.7
70.18465	0.4
70.18803	0.3
71.01379	0.3
89.02428	0.2
95.05041	0.3
100.60796	0.2
101.02436	0.3
105.75938	0.2
113.96124	0.2
114.05621	0.2
189.12869	0.4
207.76581	0.2
217.00281	0.2
217.15964	1.1
226.95235	0.2
229.15976	11.6
230.16420	1.2
273.18719	0.3
274.18860	0.2
274.21805	4.0
275.22156	0.5
310.21768	1.0
312.23389	1.0
313.66809	0.2
327.12338	0.3
330.24515	1.2
356.22388	0.4
374.23386	100.0
375.23730	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
59.89008	0.2
65.01459	0.3
66.44664	0.2
69.25198	0.2
85.97448	0.2
90.41000	0.2
98.22718	0.6
101.06078	0.8
124.07687	0.4
133.01678	0.4
139.95584	0.3
165.10341	0.3
174.99289	0.3
189.10378	0.5
217.00298	2.2
232.10927	8.7
233.11342	0.7
259.77115	0.3
274.16077	0.4
289.17966	1.1
290.18750	2.5
316.16620	1.7
318.18198	0.3
331.18863	1.5
342.06351	0.4
358.21310	0.7
374.24518	100.0
375.24817	12.9
384.85873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49149	0.4
58.45030	0.3
59.01383	67.1
60.01708	0.8
70.84145	0.6
90.97169	0.4
118.10395	0.4
132.98213	1.8
137.75281	0.4
146.24849	0.4
174.99257	28.3
175.99620	0.6
217.00307	100.0
218.00632	3.6
240.05867	0.4
265.35260	0.4
314.98315	0.4
326.23215	0.4
374.99243	4.4
375.99686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86810	0.4
59.01382	73.1
60.01730	1.1
90.97180	0.6
109.02040	0.5
110.61350	0.5
118.96585	0.4
126.70726	0.5
127.94280	0.4
132.98225	2.4
151.03862	0.5
165.05595	0.6
174.99255	30.6
175.99629	0.5
217.00307	100.0
218.00644	4.0
303.03378	0.5
315.03967	0.4
339.13052	0.5
374.99374	4.5
375.10480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55628	0.7
51.00250	0.8
59.01387	5.1
69.06618	6.6
71.01387	2.0
85.02974	1.3
89.02457	1.0
101.02437	1.1
104.48690	0.8
106.91379	0.8
108.02186	1.8
109.02957	21.9
115.81850	0.8
119.04946	0.8
120.71164	0.8
121.02965	2.9
122.03716	2.3
123.00885	1.2
124.01666	1.0
129.01974	1.0
136.01685	15.6
137.02414	2.7
145.02969	2.7
146.03748	4.6
147.04518	3.0
149.04842	0.9
151.04034	12.5
152.04457	1.0
157.15053	0.8
158.03740	0.9
159.04523	2.6
160.05321	2.0
161.06056	4.2
172.05319	6.1
174.03209	1.1
175.04005	10.4
175.07588	1.0
176.04836	7.0
187.04015	1.3
188.04776	1.1
189.05608	10.5
190.06320	7.6
191.07152	8.4
217.00261	1.0
223.07652	1.9
227.52231	0.8
233.06094	1.6
239.07031	2.3
244.85156	0.8
249.05553	1.1
250.06390	2.4
251.07098	4.9
261.05582	2.5
262.06247	1.0
263.07108	1.0
266.05933	2.3
267.06622	11.4
268.07245	1.8
278.05899	3.2
279.06656	13.7
282.09131	4.4
293.08252	2.7
294.09015	6.4
297.07678	4.2
297.11343	15.5
298.11856	1.1
309.11206	1.5
311.09387	1.6
312.10019	18.7
313.10284	1.8
315.12305	2.0
327.12402	100.0
328.12781	9.2
343.51465	0.8
345.13388	1.9
375.10858	1.0
375.15955	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.5
57.03441	4.9
59.01383	99.6
60.01728	1.8
69.03462	1.6
69.88842	3.9
69.89199	1.2
71.01389	52.1
72.96412	1.3
72.99300	1.7
73.02950	13.0
83.01394	8.9
85.02962	23.4
85.39979	1.1
86.00107	1.7
87.00888	5.2
87.69134	1.4
89.02455	41.7
90.02244	1.4
95.01392	3.3
99.00892	3.3
101.02454	45.1
106.86253	1.2
109.02956	4.2
111.04549	1.5
113.02457	22.0
119.02670	1.4
119.03516	22.6
131.61151	1.2
136.01651	3.1
143.03522	2.9
151.04007	4.0
155.13187	1.2
159.03088	1.4
161.04623	9.1
169.12369	2.6
175.04016	2.4
176.04703	1.4
177.09236	10.5
179.05597	6.6
189.05670	1.2
191.07100	2.9
195.10257	2.0
212.08369	4.4
213.11420	1.2
217.00302	2.7
241.07271	2.1
247.90984	1.2
251.07201	1.6
255.08904	19.8
267.06714	2.8
268.07138	1.4
279.06726	3.8
297.11353	3.0
312.10077	4.5
327.12396	19.1
328.12836	2.1
357.15585	30.2
358.16107	2.2
375.16614	100.0
375.23636	7.2
376.16824	9.7
397.49911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02378	0.8
50.03012	1.0
51.61505	0.8
59.01391	6.1
60.40355	0.9
66.31901	0.9
71.01387	10.6
80.91702	1.6
99.92611	3.3
133.01700	1.4
153.01649	0.9
163.99892	1.7
164.08441	1.1
166.03242	0.8
174.99246	3.1
177.09219	3.9
189.03662	0.8
190.10042	2.0
192.11563	8.8
205.12318	2.6
217.00298	7.8
217.08720	1.3
218.09468	2.2
220.14708	39.6
221.15474	100.0
222.15820	6.6
227.02232	1.3
229.15996	1.4
231.17647	1.5
236.10558	79.1
237.10951	6.6
241.89848	0.9
243.02945	2.1
255.01852	4.1
256.00192	1.3
271.02478	3.1
292.11566	1.6
293.17603	35.3
294.17963	3.6
314.03085	13.8
318.09607	4.9
321.15588	2.2
329.05469	5.9
344.07779	11.6
358.08749	2.9
375.17767	6.1
376.17996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88981	0.7
74.22424	0.7
74.98692	0.7
74.99070	2.3
84.11605	0.7
85.86412	0.6
114.11680	0.7
132.84814	0.7
141.17174	0.7
149.00986	0.8
159.08502	9.5
161.06395	3.1
164.62242	0.8
194.62631	0.6
206.99779	0.8
209.01225	1.9
217.07196	0.8
277.07584	3.2
289.07468	1.3
291.09128	95.6
292.09238	12.1
309.10358	0.8
357.13791	2.2
359.15384	100.0
360.15579	15.8
375.18552	7.9
376.18451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39508	0.5
51.47087	0.4
53.82825	0.5
54.00774	0.6
70.62814	0.5
70.63139	0.8
74.99075	2.3
75.89883	0.6
93.00124	1.2
107.66537	0.5
143.05347	0.5
146.20760	0.5
159.08492	11.9
160.08757	0.5
161.06470	2.8
170.40190	0.6
192.98161	0.7
209.01332	2.1
217.07304	0.9
228.86877	0.5
272.07718	0.6
275.05945	1.0
277.07617	2.2
289.07587	1.6
291.09134	99.1
292.09277	12.6
309.10330	0.7
310.21744	0.5
354.41119	0.5
357.13770	2.0
359.15384	100.0
360.15549	15.0
375.18304	2.9
376.83075	0.6
377.16336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07650	0.4
55.01880	1.4
57.03461	1.2
58.00602	0.9
59.01384	63.4
69.72001	1.4
71.01386	25.4
72.01721	0.5
72.99304	0.9
73.02958	2.3
75.53302	0.4
83.01400	2.7
85.02955	7.4
89.02451	23.3
95.01376	2.4
99.00876	0.8
101.02456	15.4
102.02834	0.4
113.02458	7.5
119.03519	7.8
119.04338	0.8
131.03590	0.8
148.55400	0.5
153.01894	0.4
161.04503	0.4
164.45720	0.4
183.13934	0.7
194.13234	0.5
195.05582	0.4
195.13908	9.3
196.14249	0.9
213.14990	4.6
217.00301	1.6
292.50223	0.4
345.26306	0.5
357.18994	0.7
375.20248	100.0
376.06601	0.6
376.16101	0.9
376.20602	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	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20901	0.7
55.01875	1.9
57.03455	1.5
59.01383	21.6
66.67503	0.8
69.63538	2.5
69.63876	1.0
71.01387	12.1
72.99304	0.7
73.02947	4.6
83.01389	3.1
85.02961	5.7
86.00108	0.9
87.00851	1.4
89.02445	5.0
95.01412	1.3
99.00905	1.2
101.02463	7.5
103.81779	0.7
111.00911	0.8
113.02457	3.1
129.01941	1.1
183.13916	4.2
195.13921	4.5
197.15506	4.7
198.82568	0.9
213.14980	24.2
214.15396	0.8
216.34912	0.7
217.00290	1.8
227.12935	4.2
315.11945	0.8
357.19342	2.0
375.20273	100.0
375.27020	5.1
376.06393	0.8
376.20642	10.5
376.27612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85788	1.4
59.01385	29.2
69.87508	4.6
71.36678	1.4
75.63214	1.4
91.54058	1.5
95.05032	31.6
99.92616	2.2
138.46713	1.6
179.14586	2.1
187.69879	1.6
195.13960	11.9
196.14598	2.5
217.00302	10.3
223.13412	10.2
246.12390	29.9
249.06265	1.6
256.13049	2.1
275.20160	6.4
278.08258	3.0
278.11368	68.6
279.11673	5.3
293.21243	100.0
294.21545	9.9
315.19519	19.6
316.19870	2.0
338.12201	4.4
375.21371	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	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26459	2.1
58.82666	2.2
59.01382	58.7
63.65557	2.5
64.16791	2.0
68.65005	2.6
69.72706	8.3
69.91807	2.0
78.28931	2.1
78.53869	1.9
93.03448	2.5
95.05032	3.5
99.92593	4.3
109.06605	2.5
121.10261	32.0
157.75880	2.2
171.10278	65.5
172.10657	5.0
174.99225	2.8
183.13898	5.2
207.09900	2.9
217.00369	14.1
223.13188	3.2
231.21164	2.9
267.21652	2.7
275.20181	96.6
276.20627	12.4
278.11386	14.0
293.21255	100.0
294.21503	10.0
315.19418	60.7
316.19904	5.5
375.13693	2.5
375.21390	36.3
376.21280	4.1
393.31085	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	375.2177
Annotation	Resolvin D2
Peak:m/z	Relative Intensity
57.03438	1.5
59.01383	3.1
69.03457	1.0
71.01376	0.6
75.00874	0.8
81.03448	1.1
83.01410	1.0
83.05029	0.7
85.02960	1.4
93.03485	0.6
95.01414	0.4
95.05030	0.4
108.02194	2.9
109.02357	0.3
109.02979	3.0
109.21597	0.4
110.03796	0.5
111.04541	0.8
113.02494	2.0
121.02968	2.6
122.03752	0.6
123.04537	1.5
124.01669	2.1
134.03732	2.6
136.05298	0.7
137.02484	1.8
138.03258	3.7
148.00142	0.4
161.06038	0.7
168.04268	0.6
170.02202	0.7
174.99245	1.3
188.08450	0.4
200.03316	1.0
217.00272	3.5
218.09448	0.7
269.15619	0.5
285.95157	0.4
309.18253	0.6
315.19724	0.7
317.21078	0.9
327.19513	1.1
345.20728	6.4
346.20944	0.9
375.21780	100.0
376.22159	13.2
376.26935	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
61.98804	0.9
65.99866	2.6
66.67317	0.8
69.23350	2.2
69.23754	4.4
75.90845	1.0
95.01408	1.1
120.00914	3.1
123.00877	2.9
124.01664	5.8
136.04025	1.7
148.00415	57.0
149.01192	70.2
149.99599	18.0
150.01520	2.7
163.02789	2.8
164.03540	28.2
165.00714	1.2
165.03883	2.0
169.35844	0.9
170.40085	1.0
178.05107	6.2
180.03058	2.4
181.03755	1.5
195.05318	1.1
196.06229	1.2
207.01805	1.0
218.00697	1.2
222.04112	3.7
227.02260	6.0
241.03845	0.9
242.04631	1.5
243.01552	4.5
255.01738	3.1
256.00204	1.0
258.03992	5.7
270.04141	9.1
271.00998	6.1
285.06403	2.6
286.03497	14.8
287.04276	1.1
299.00717	1.8
301.06226	4.0
314.03082	10.5
329.05411	73.7
330.05814	6.6
344.07755	100.0
345.08023	7.9
346.05533	3.2
361.07913	4.4
376.10269	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	376.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.9
61.98829	2.3
64.01917	2.8
65.99849	2.4
69.10044	8.5
69.10463	2.5
97.74063	1.4
98.21889	3.4
107.01427	1.5
108.00907	3.1
109.34055	1.7
125.02457	1.8
130.94104	1.4
133.01709	89.4
134.02043	3.5
134.99640	2.5
135.00885	2.6
136.00426	6.6
148.04056	85.2
149.04362	3.3
150.02008	10.3
151.68651	1.5
152.08929	1.5
162.99144	2.1
163.99898	18.9
167.02251	3.2
178.01472	4.1
179.02258	3.5
182.04594	2.4
185.76369	1.8
196.02484	3.6
199.02782	3.0
200.01123	1.9
210.04085	100.0
211.04443	5.7
227.02272	16.8
228.00629	9.3
241.75371	1.5
243.02989	5.8
255.01677	18.3
256.00098	14.4
270.04086	6.4
271.02463	13.0
285.06451	12.5
299.00684	1.8
300.08844	1.9
314.03082	46.0
315.03360	3.5
329.05319	15.3
330.05795	2.2
344.07748	64.2
345.08087	5.7
346.05710	20.7
361.08069	42.6
362.08438	5.7
376.10410	51.3
377.10706	5.8
385.61047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30410	2.0
55.39245	1.6
59.01407	4.2
63.14103	2.0
64.01904	2.1
94.16566	1.9
99.92579	5.1
102.90195	1.8
133.01704	10.1
136.00397	11.4
136.46289	1.9
145.18074	2.3
148.03998	4.5
148.87656	2.0
163.99925	13.2
169.82463	1.9
186.68684	2.0
218.00591	1.7
221.15428	3.4
221.90672	1.9
222.15805	3.5
227.02246	10.4
228.00618	5.9
229.15857	2.3
237.10999	3.7
242.04730	2.4
243.02986	6.1
255.01770	23.9
256.00122	6.2
270.04099	7.1
271.02414	21.6
286.03629	2.5
314.03098	100.0
315.03476	6.9
329.01724	3.0
329.05429	36.1
330.05539	3.2
344.07761	84.5
345.08099	10.2
355.22147	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	376.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
63.05311	0.4
66.71234	0.4
66.87568	0.6
71.41750	0.4
81.09007	0.4
85.98636	0.4
165.12866	0.6
227.50145	0.5
247.38994	0.5
247.65443	0.5
291.19580	3.0
292.20178	1.5
294.20737	0.6
376.17334	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	377.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90586	0.8
55.01880	2.2
57.03453	93.5
58.03772	1.4
59.01384	100.0
60.01728	1.5
70.84763	1.1
71.01386	25.5
73.02955	10.2
75.00866	1.1
81.03459	2.0
83.01385	4.9
85.02960	11.9
87.00876	1.6
89.02459	6.9
95.01369	1.7
97.02940	1.1
98.21781	1.6
99.00890	3.0
99.04526	68.4
100.04855	1.4
101.02451	33.3
102.02758	1.3
109.06589	2.9
113.02472	9.4
119.03527	2.1
125.02447	19.4
127.07650	3.9
129.01883	1.3
135.04512	1.2
143.03476	1.8
146.69510	0.9
153.05727	1.0
159.02983	2.1
161.04581	7.9
171.13580	0.9
197.11786	1.5
198.02602	0.9
215.12964	1.7
233.07986	1.6
233.10313	26.0
234.10814	1.0
257.12897	3.5
275.11392	2.6
277.30823	1.0
377.14349	4.2
377.18115	22.1
378.18488	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03452	98.5
58.03780	1.4
59.01382	100.0
63.05451	1.0
69.33911	3.9
71.01019	1.7
71.01387	21.0
73.02956	9.6
75.00899	2.0
83.01396	4.7
85.02949	12.3
86.03261	1.0
89.02449	5.9
90.19653	1.1
90.89778	1.0
95.01410	1.7
99.00890	2.5
99.04526	71.0
100.04884	1.9
101.02449	37.4
101.03116	2.2
109.06626	3.0
113.02461	9.4
118.21405	1.0
118.63094	1.0
119.03522	1.4
125.02460	23.1
126.02824	1.1
126.87394	1.0
127.07648	3.5
133.03000	1.4
142.27693	1.1
143.03488	2.5
155.36978	1.3
157.08658	1.0
161.04561	7.3
179.03537	1.2
179.26552	1.0
215.12961	1.4
233.10321	24.9
234.10686	2.3
257.13101	1.9
275.11298	1.6
315.14551	1.5
377.14426	2.6
377.18311	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	377.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.6
61.98827	17.7
65.74393	4.8
84.02180	10.6
94.13429	6.4
97.02946	5.6
98.22657	16.0
144.00993	5.3
171.10300	40.6
186.76053	5.6
200.45227	5.2
298.58737	5.5
310.81076	5.7
341.10999	10.4
341.23312	100.0
342.23663	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	377.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03440	1.3
59.01385	13.4
69.03437	0.4
69.66662	0.7
69.67046	0.5
71.01388	10.0
72.99298	0.6
73.02948	4.1
73.04250	0.3
77.93688	0.2
78.95933	0.3
83.01399	3.0
85.02957	5.8
86.00159	0.3
87.00876	2.4
87.04507	0.3
89.02449	1.4
95.01395	1.1
97.02959	0.6
99.00889	1.4
101.02448	7.0
111.00883	1.1
113.02475	2.4
119.03523	0.5
124.01659	0.6
125.02460	0.7
143.03531	0.4
152.99614	0.5
169.15959	1.4
197.15448	1.3
215.16531	31.5
216.16867	2.1
229.18108	0.5
257.17596	0.4
305.17758	0.3
325.56894	0.3
341.10953	0.4
359.20761	3.5
372.93686	0.3
377.21820	100.0
378.22159	10.7
378.27072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2337
Annotation	Dendronpholide E
Peak:m/z	Relative Intensity
57.03452	1.8
58.28417	0.3
59.01388	0.5
61.98829	1.0
63.64818	0.3
64.65850	0.3
68.23649	0.3
68.80547	0.3
69.03450	0.9
69.23458	0.3
70.67505	0.7
71.01382	0.6
72.99328	0.5
75.43680	0.3
81.03465	2.6
83.01391	8.7
83.05031	1.5
85.02958	2.6
86.63485	0.3
89.02444	0.4
91.38136	0.3
93.03458	0.4
95.05009	0.4
97.02947	0.5
98.03712	0.3
99.04536	0.4
107.05067	0.5
108.02172	3.6
109.02960	4.2
109.06535	0.3
110.03745	0.9
111.00928	0.3
111.04530	1.1
112.05358	0.3
113.06098	1.0
121.02969	1.0
122.03751	0.8
123.00883	0.5
123.04542	0.6
124.01693	0.6
125.02464	0.5
127.04024	0.4
134.03743	2.6
135.04587	0.6
137.02443	0.9
138.03217	0.6
139.03967	0.3
140.04782	0.3
141.05606	1.2
142.02725	0.8
151.03969	0.3
153.05666	0.3
154.02660	0.4
161.06030	0.5
166.06303	1.4
169.05064	0.7
186.01720	0.3
193.08720	0.7
199.59874	0.3
219.10152	0.4
219.97714	0.6
230.92351	0.3
245.18932	0.4
257.15488	0.7
269.73953	0.3
309.18466	0.4
318.22009	2.0
318.67770	0.3
327.19525	0.7
343.19345	0.4
344.19995	0.8
345.20633	1.2
355.76141	0.3
359.22391	0.4
377.23337	100.0
378.23654	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.9
61.98836	100.0
66.63071	1.0
69.40767	4.5
69.41188	2.0
71.01392	12.5
71.54478	1.1
72.70654	1.2
80.97482	1.2
85.02949	3.3
87.00900	2.7
89.02451	5.3
93.04384	1.1
96.96024	1.0
98.21764	1.0
99.00926	1.1
101.02436	3.3
103.00393	1.3
106.99079	4.5
111.00907	4.0
112.04017	1.2
113.02428	2.2
114.05611	5.3
119.03513	2.0
125.02454	1.3
127.52867	1.3
135.04549	1.8
136.04025	2.7
156.06650	4.6
160.03801	1.2
173.01289	1.4
174.99239	2.0
178.98592	1.4
179.05710	1.9
196.01381	1.5
213.01706	6.2
215.02556	1.4
216.02734	1.6
216.06593	2.1
217.00275	6.3
217.02821	1.6
219.97774	4.8
220.99567	2.4
262.14816	1.2
275.05676	1.3
318.05902	2.5
330.16977	3.9
341.10901	5.5
342.11188	7.3
378.08270	8.7
378.19113	1.6
379.08203	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	378.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71664	0.6
57.03450	3.5
59.01382	9.4
61.98837	100.0
69.70467	2.2
71.01384	3.2
85.02987	0.6
85.62471	0.6
87.00895	0.7
89.02466	1.7
99.04543	2.2
99.55308	0.6
101.02472	2.3
105.36833	0.6
112.27300	0.6
113.02446	0.9
119.03534	1.3
125.02487	1.4
179.05685	0.7
180.06831	0.8
199.09660	0.8
235.08345	1.0
319.13913	1.0
329.08826	1.0
341.10980	0.9
342.11307	1.1
379.08447	1.0
379.16068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.02110	0.7
54.30999	0.6
55.01885	2.1
57.03460	1.0
57.03977	0.6
57.87122	0.6
58.00603	0.8
59.01384	100.0
59.89355	0.6
60.01729	1.4
63.76477	0.7
69.03489	1.0
69.25595	4.0
71.01389	54.6
72.01747	1.4
72.99324	1.0
73.02952	17.2
83.01401	3.0
85.02952	8.0
87.00904	2.2
89.02453	86.9
90.02805	2.3
95.01427	2.1
97.02959	1.6
98.21839	1.0
99.00894	17.7
101.02452	37.5
102.02840	0.9
113.02457	16.3
115.04029	1.4
119.03516	16.0
125.02499	3.0
131.03522	13.1
143.03542	2.6
149.04576	37.5
150.04953	0.9
161.04602	4.3
170.51953	0.7
179.05605	9.6
191.05627	8.1
217.12674	0.8
221.06715	1.3
233.06654	0.9
247.11964	4.5
247.14223	0.8
251.07823	2.7
379.16129	23.2
379.20679	1.3
380.16568	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43014	0.7
55.01890	1.0
57.03454	100.0
58.03796	1.8
59.01385	73.6
66.33273	0.6
67.43961	0.6
69.22837	3.9
71.01388	12.2
73.02959	5.2
81.03488	1.6
83.01401	2.9
85.02956	6.5
89.02464	2.0
95.01414	1.0
96.44757	0.6
99.00910	1.9
99.04530	64.0
100.04855	1.8
101.02449	27.6
104.10910	0.7
110.40475	0.7
113.02466	7.5
115.02080	0.7
125.02461	18.6
131.45992	0.6
131.91881	0.7
143.03560	1.5
156.45938	0.7
159.03075	1.6
161.04585	5.5
235.11900	30.6
236.12260	1.5
277.13058	1.4
289.06570	0.7
336.15854	0.7
337.46216	0.7
379.16364	2.9
380.36850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71572	1.5
57.03455	100.0
59.01384	81.6
69.69070	5.9
70.96078	1.5
71.01393	12.1
73.02953	5.4
78.52882	1.4
81.03465	2.6
83.01402	3.1
85.02961	7.3
98.22513	2.5
99.00876	1.7
99.04530	81.1
100.04876	2.4
101.02455	30.8
103.13312	1.6
113.02447	4.3
125.02448	18.1
135.48941	1.6
161.04572	5.2
235.11906	34.8
235.14088	3.3
236.12151	1.7
261.30078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03445	2.4
59.01387	100.0
61.28156	1.0
69.44490	2.8
69.44883	1.8
71.01389	38.0
73.02956	20.1
74.71999	1.2
75.00903	1.2
83.01401	8.3
85.02962	19.5
87.00867	2.0
89.02448	12.2
93.18951	1.0
95.01395	3.1
95.08723	1.2
98.21938	2.6
99.00889	6.2
101.02453	36.2
111.19591	1.2
113.02466	21.3
115.04035	1.9
119.03513	3.6
131.03479	2.2
135.04541	2.9
143.03470	2.6
151.94551	1.2
159.03018	2.9
161.04582	15.3
167.43709	1.2
233.06798	1.4
246.27853	1.1
247.11888	56.8
248.12257	3.3
309.61731	1.1
319.14001	18.7
379.16116	61.5
380.16550	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	379.1974
Annotation	JBIR-57
Peak:m/z	Relative Intensity
51.08244	0.7
55.01880	1.3
57.03452	14.4
59.01382	100.0
60.01734	0.8
68.99825	2.7
71.01389	17.3
71.44755	1.0
73.02946	6.2
73.75236	0.7
83.01393	3.2
83.39332	0.6
85.02954	8.8
89.02446	6.4
90.39034	0.7
93.99939	0.7
95.01417	1.5
99.00897	1.7
99.04523	10.1
101.02444	17.8
113.02447	6.8
118.03066	1.1
119.03519	1.7
125.02474	4.1
125.86785	0.9
126.91714	0.7
135.77260	0.7
143.03519	0.7
148.31798	0.6
159.03000	1.3
161.04546	6.4
196.06061	0.8
199.13504	1.6
217.14450	1.2
218.04517	3.6
235.11813	3.9
266.06659	1.0
319.17596	5.2
361.18686	0.9
370.80701	0.7
379.19757	84.3
380.20126	9.0
393.58832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1565
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.68926	0.6
57.03454	5.5
59.01387	30.6
61.98828	1.5
69.67865	1.7
69.68255	1.4
71.01391	40.2
71.05027	8.0
72.65134	0.7
73.02939	2.2
83.01400	1.7
85.02962	4.1
87.00887	0.9
88.04053	6.0
89.02454	9.3
95.01427	0.7
98.21933	1.2
99.04531	9.0
101.02451	10.2
113.02483	5.3
116.07181	1.1
119.03510	3.7
121.02992	0.7
123.04551	8.2
125.02472	2.2
128.07182	2.5
129.05591	1.1
146.08252	56.4
147.08583	1.8
150.03238	11.9
151.04024	32.9
151.05247	1.6
161.04556	2.4
175.69806	0.8
179.05594	1.2
193.05072	1.0
193.35576	0.8
200.09344	1.2
201.64784	0.6
236.77007	0.6
237.09854	2.9
263.11414	1.0
308.13559	5.0
313.09332	19.2
320.14392	0.7
348.24814	0.7
362.14407	1.7
378.33334	0.7
380.15668	100.0
381.15976	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	380.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05316	21.0
59.01389	45.4
61.98830	32.2
63.76080	18.1
69.23339	100.0
76.15806	18.7
96.96029	27.7
132.75452	18.2
152.11674	22.8
178.20692	20.5
193.26358	18.6
217.00331	43.0
289.18076	56.1
342.23950	36.2
344.26996	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	380.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89039	34.2
59.01386	100.0
62.04938	35.1
69.64702	74.4
69.65062	72.8
96.06523	31.8
96.95988	35.2
98.22573	68.1
104.39070	34.4
120.28136	34.4
124.60738	33.0
138.66882	32.5
146.95901	36.7
217.00290	81.7
268.66165	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	37.9
59.01384	69.5
60.01737	1.3
61.98835	3.4
69.66771	2.4
71.01384	19.7
73.02956	5.4
81.03474	1.3
83.01379	3.6
85.02949	7.7
87.00888	5.4
89.02458	10.1
94.63773	1.3
99.00901	2.2
99.04522	35.9
101.02452	22.1
109.02997	2.3
113.02477	7.7
119.03514	2.9
119.46072	1.3
122.03777	2.9
123.04540	22.7
125.02466	16.3
133.02870	1.3
143.03548	2.7
146.08307	1.5
147.08594	1.4
149.02478	2.1
150.02156	2.3
150.03249	27.9
151.04024	100.0
152.04390	4.7
159.03018	2.6
161.04552	8.9
176.03545	17.1
176.61821	1.4
179.05606	1.4
220.02574	2.2
237.09793	17.8
249.09804	4.0
279.10870	2.5
283.80051	1.3
285.81906	1.3
313.09341	47.8
314.09653	4.6
321.15591	2.5
329.08624	1.6
381.17075	4.7
382.07755	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	381.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03400	0.9
55.01910	1.4
57.03450	88.7
59.01381	100.0
61.98810	1.1
71.01388	21.9
71.23977	1.6
72.16328	1.1
73.02953	8.3
75.00887	1.0
83.01385	4.7
85.02958	10.4
89.02452	3.9
90.99914	1.1
95.01402	1.1
99.00849	2.1
99.04525	63.7
100.04881	1.1
101.02451	33.2
102.25405	1.1
113.02456	11.3
119.03503	1.9
125.02460	31.8
126.02812	1.3
126.27454	1.1
143.03500	3.1
159.03038	2.8
161.04572	16.4
175.02776	4.1
176.03531	38.4
219.06485	1.2
219.08722	1.8
220.02559	4.2
237.09810	36.5
237.12219	2.0
238.10051	2.6
279.10886	6.9
381.13562	2.5
381.17883	2.4
382.07779	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	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96714	2.6
61.05885	2.2
71.21931	3.8
74.99075	18.1
91.02217	45.5
92.70001	2.1
93.00117	14.2
100.34557	2.1
140.82417	2.0
159.08478	100.0
160.08707	6.5
161.06404	13.7
299.23300	2.2
381.37552	2.7
391.68753	2.3
404.33417	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03479	0.9
55.01890	6.6
57.03447	4.8
59.01086	2.2
59.01384	41.5
60.13646	0.8
65.12212	0.8
69.03455	1.2
69.32385	4.5
71.01391	59.3
72.01721	0.9
72.99305	1.1
73.02954	33.8
74.03298	1.1
75.00890	1.7
83.01403	11.0
84.67521	0.9
85.02956	34.5
86.00032	1.0
87.00884	3.6
87.08162	1.7
89.02454	11.9
95.01385	4.3
97.02962	4.0
98.21871	1.8
99.00896	10.2
101.02452	62.6
102.02778	1.8
111.00913	1.4
113.02466	28.6
113.03258	1.4
113.27136	0.9
115.04015	2.0
125.02456	3.9
129.01950	1.9
131.03511	2.8
143.03490	3.7
159.03006	4.4
161.03229	1.7
161.04570	29.9
177.01933	2.0
222.61711	0.9
233.06676	2.8
249.13452	100.0
250.13794	5.2
297.48511	0.9
311.22607	0.9
381.17688	97.8
382.18149	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	5.4
57.03442	4.2
59.01386	35.1
64.15028	0.9
66.43391	1.1
69.03441	1.5
69.78448	2.0
71.01387	40.6
72.99303	1.3
73.02954	27.9
75.00880	1.9
83.01396	9.2
85.02957	20.9
85.73069	1.2
87.00871	2.4
89.02451	8.0
95.01404	2.8
97.02958	2.6
99.00877	9.7
101.02454	50.4
108.78982	1.0
113.02464	18.0
115.04028	2.0
115.22992	1.0
125.02484	2.9
128.98123	1.0
129.01996	1.2
131.03525	2.7
143.03520	2.5
149.04529	1.5
159.02998	4.2
161.04578	19.9
180.10219	1.1
214.26062	0.9
214.68855	1.1
226.41614	0.9
233.06567	1.7
249.13446	100.0
250.13744	7.1
269.08759	1.0
357.15723	1.2
381.17697	63.4
382.18042	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.5
55.77724	1.0
57.03446	4.0
58.25216	1.0
59.01384	33.6
62.05437	0.9
65.30239	0.9
71.01385	38.8
73.02562	1.8
73.02951	22.0
75.00912	1.0
78.35859	0.9
79.12522	0.9
83.01395	11.3
85.02958	22.6
87.00876	3.9
89.02463	6.7
95.01406	2.2
97.02950	1.9
98.22675	2.3
99.00883	8.3
101.02452	48.2
102.02818	1.2
111.00878	1.6
112.47691	1.0
113.02462	14.6
115.03940	1.1
125.02450	2.3
129.01883	0.9
131.03485	1.4
141.01921	1.2
143.03540	1.6
146.47783	1.0
149.04523	1.4
153.85847	0.9
159.02966	2.7
161.04584	17.5
174.41196	0.9
233.06927	1.4
249.13443	100.0
250.13736	5.3
272.47891	1.1
372.96545	1.3
381.17703	50.1
382.18039	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.5
57.03452	3.7
59.01385	46.8
61.98833	4.0
64.13246	1.5
69.03445	2.3
69.28652	6.9
71.01389	52.9
72.99318	2.2
73.02959	26.2
83.01386	9.7
85.02957	26.4
87.00872	4.2
89.02458	13.3
95.01383	5.0
97.02953	2.4
98.21838	2.8
99.00904	8.5
101.02457	51.6
111.00846	1.8
113.02464	22.7
125.02462	3.3
129.01979	2.0
131.03531	3.3
143.03542	2.4
149.04558	3.0
159.03003	2.6
161.04573	24.1
201.11316	2.8
233.06659	2.4
237.17938	1.6
249.13455	100.0
250.13794	7.0
289.74011	1.7
381.17691	77.8
382.18018	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	381.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28804	0.9
59.01384	5.0
61.98834	5.6
69.36707	0.9
69.72474	1.2
69.85134	2.8
73.02956	5.0
78.95905	1.1
93.07201	0.9
94.08727	1.0
99.92621	0.9
117.68280	0.9
120.35372	0.8
126.32964	0.9
131.03522	5.1
177.16576	1.1
180.34023	1.0
184.36153	1.0
199.73636	1.2
205.19586	1.0
217.00288	1.7
231.17560	1.2
249.18622	100.0
250.19041	10.5
277.17944	1.3
295.19086	1.1
297.15277	1.4
404.52701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.8
69.03467	1.3
69.40117	1.4
72.74181	0.4
77.06345	0.4
79.01901	1.1
80.96526	1.6
87.00910	0.5
97.02945	0.9
100.51041	0.4
106.03006	0.6
107.01410	1.3
131.52438	0.4
133.01717	4.8
134.02493	100.0
135.00905	1.3
135.02841	3.4
142.14688	0.4
166.05161	0.9
199.04054	0.6
225.04298	0.7
226.05118	5.1
227.03484	2.4
242.04457	0.5
248.79851	0.4
270.04095	69.2
271.04459	5.0
300.05176	2.7
302.06726	55.9
303.07117	4.9
382.02396	11.6
383.02750	1.2
383.13333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0777
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.81117	1.2
61.44609	1.0
61.98829	1.7
62.23884	1.0
68.99809	1.2
69.09990	1.0
69.70322	4.6
75.90794	1.2
102.94261	1.1
121.02969	100.0
122.03302	4.9
147.04497	1.7
149.02461	3.2
173.02345	1.2
181.06587	3.8
182.86435	1.1
191.03519	8.9
221.11552	1.1
225.05635	6.0
251.07135	2.7
276.67502	1.1
279.63614	1.2
295.06143	12.1
296.06400	1.3
311.09271	16.2
313.07217	19.6
314.07227	2.1
339.08698	12.9
383.07755	19.5
384.08215	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	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.3
68.82715	0.5
72.45657	0.5
78.65894	0.5
83.05027	1.6
85.02940	1.0
87.00884	17.5
91.05542	1.1
91.23495	0.5
93.03461	4.2
95.05030	0.8
96.05621	0.6
97.06600	36.1
98.06924	1.5
103.05570	1.0
105.03458	1.6
106.04272	1.4
107.05045	9.7
108.02170	0.8
111.00868	1.2
111.04525	6.5
112.05324	1.9
113.06093	1.0
119.05016	2.5
121.02969	70.7
122.03785	23.9
123.04601	4.9
131.05037	0.6
135.04562	3.3
137.02437	1.7
139.03967	0.6
145.03055	0.7
145.06602	1.1
147.04539	24.5
148.05334	11.6
149.02448	2.2
149.06078	2.2
163.04025	20.7
163.05405	1.2
164.04822	8.3
165.05605	2.8
185.11874	5.1
191.03523	10.1
191.10721	0.7
192.04308	6.4
193.04984	1.6
201.09227	2.5
209.04561	0.7
219.10326	5.1
245.11955	1.1
261.11285	2.3
289.10800	3.8
291.08820	1.5
302.18271	0.7
307.11920	0.8
321.13452	1.9
322.13943	0.7
323.11359	16.6
324.11786	1.4
339.14307	0.9
351.10852	5.8
352.11261	1.0
383.13495	100.0
384.13873	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	383.135
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
59.01382	1.0
59.21058	0.4
71.05028	0.6
79.05553	0.7
83.05044	0.9
84.40655	0.5
85.02971	1.1
87.00884	20.4
91.05539	1.0
93.03456	3.6
96.96069	0.5
97.06599	14.6
98.06951	0.4
101.25608	0.4
103.05566	1.3
105.03493	3.1
106.04253	1.4
107.05038	23.5
108.02198	0.8
108.05384	0.9
111.00890	5.6
111.04522	2.9
112.05315	19.0
113.05648	0.9
119.05032	3.3
121.02968	58.6
122.03802	13.4
123.04607	2.8
130.04276	1.0
130.99884	1.3
135.04520	2.1
137.02475	3.4
139.04018	0.8
143.05081	1.2
145.06580	0.8
146.03735	1.3
146.64757	0.5
147.04541	30.1
148.01651	0.7
148.05331	8.9
149.02438	2.3
149.06027	0.9
161.02454	0.6
163.04024	19.3
164.04829	7.5
165.05650	2.5
172.05357	1.5
175.07658	1.3
183.08157	0.6
191.03517	8.8
192.04285	6.7
193.04979	0.8
194.02246	1.0
201.09230	9.2
202.09613	1.1
215.34991	0.4
219.10313	2.8
220.10616	0.4
224.22331	0.6
254.04190	2.1
261.11417	2.2
289.10825	2.3
291.08731	2.2
323.11389	16.7
324.11777	1.7
351.10864	9.1
352.11353	1.0
365.12277	0.5
383.13492	100.0
384.08890	0.8
384.13821	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	383.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53251	1.2
55.01887	6.2
57.03459	5.5
59.01385	50.1
61.98841	2.1
69.03459	2.5
69.69175	2.4
69.69499	1.5
71.01389	80.0
72.01745	1.3
72.99290	2.1
73.02956	40.5
75.00881	2.1
81.03465	2.2
83.01395	14.9
85.02960	36.3
85.03471	2.5
86.03304	1.4
87.00897	4.4
89.02457	18.7
95.01409	4.6
97.02959	5.0
97.46037	1.1
99.00902	15.6
101.02457	70.5
101.94884	1.2
102.02792	2.3
111.00926	2.2
113.02458	33.6
115.04007	3.4
123.04531	4.2
125.02473	6.8
129.02025	1.1
131.03497	3.4
143.03496	5.0
149.04561	2.0
150.03229	3.4
151.04030	13.2
159.02992	5.8
161.04578	38.8
197.11694	1.1
225.14163	1.1
233.06740	3.7
244.57874	1.2
251.11394	100.0
252.11768	6.0
313.09296	3.6
323.17191	1.5
354.69589	1.1
383.15625	83.0
384.16013	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	383.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.6
57.03444	4.7
57.29192	1.0
59.01385	64.3
61.98829	5.8
69.03458	3.8
70.55079	2.7
71.01389	76.8
71.92869	1.5
72.99316	1.7
73.02567	2.1
73.02953	30.4
75.00876	2.0
79.70207	1.3
81.03482	1.7
83.01384	13.7
85.02955	30.6
87.00887	3.6
89.02455	29.6
95.01392	3.7
97.02967	4.5
99.00896	13.4
101.02454	73.6
111.00908	1.3
113.02466	25.1
115.04021	4.1
119.03515	4.6
125.02460	8.7
129.01859	1.6
131.03517	5.5
134.73755	1.2
143.03523	4.7
149.04556	9.1
159.03021	6.0
161.04568	41.8
179.05659	1.8
191.05579	2.5
201.95128	1.2
221.10283	14.5
233.06670	7.4
251.11375	67.6
252.11797	3.8
293.09171	2.0
333.54364	1.2
383.15616	100.0
384.15952	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	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03200	0.5
57.03461	0.9
58.28359	0.6
59.01380	2.3
61.98852	0.8
62.17972	0.6
68.67529	0.6
83.05025	0.6
83.37331	0.5
85.74900	0.6
91.04053	0.6
111.08172	2.2
127.11333	1.4
129.09270	0.6
137.09650	0.6
153.09251	0.8
153.12831	3.2
155.10829	1.4
158.83023	0.6
165.12791	0.6
167.10852	1.4
179.14449	2.5
181.12389	3.6
197.11855	2.8
197.70259	0.6
199.13437	0.5
207.13927	2.3
215.12941	1.5
227.12898	1.1
233.05672	2.4
247.20694	3.5
273.18585	2.6
281.21207	2.2
291.19699	29.6
292.20120	3.4
309.20749	100.0
310.21078	10.5
310.24393	1.1
347.15430	1.6
383.08926	0.7
383.13065	3.3
383.24319	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	383.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01372	2.6
68.78494	0.5
69.08949	4.0
71.01402	0.9
76.09155	0.6
89.02478	0.5
91.04007	1.8
95.05040	0.9
95.65801	0.6
96.05998	0.5
97.02972	0.7
97.06604	1.9
98.21798	1.0
102.47554	0.5
111.08159	0.9
113.09724	2.0
115.07659	1.6
126.06827	0.8
139.11310	0.7
141.09261	0.9
162.92540	0.9
165.12880	2.7
167.14418	1.7
174.62048	0.7
181.12381	1.9
183.13947	0.9
193.12328	1.8
195.13983	2.7
211.13397	3.2
213.14923	0.7
221.15450	2.6
240.13695	1.2
247.20610	4.5
273.18542	3.3
281.21259	1.3
285.06058	0.6
291.19702	36.3
292.20020	3.9
309.20743	100.0
310.21091	10.8
314.17340	1.3
366.96967	0.6
383.24387	4.0
384.25037	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0728
Annotation	Aristolochic acid IVa methyl ester
Peak:m/z	Relative Intensity
62.96451	0.5
85.55620	0.6
85.75536	0.6
88.54067	0.6
103.14400	0.6
108.02625	0.5
131.01373	0.6
141.55545	0.6
160.01651	0.9
174.01985	4.3
175.02759	13.8
176.03543	19.3
177.04015	0.6
180.60831	0.6
186.01956	0.6
189.01993	1.2
202.01421	1.9
203.02292	3.8
204.03024	100.0
205.03334	5.6
210.05583	1.1
212.63187	0.7
225.04355	0.8
225.33102	0.6
226.05089	3.0
238.05086	4.5
240.03185	0.7
253.03819	2.1
254.04613	19.6
255.04907	1.1
265.03772	1.9
266.04611	3.9
280.02557	1.4
281.03339	5.4
282.04080	23.0
283.04483	1.7
292.02722	0.6
308.02103	0.9
309.02740	1.3
310.03589	8.0
311.04050	1.0
315.93674	0.6
324.04953	0.6
341.05325	1.7
369.04910	98.5
370.05228	12.2
383.19083	1.1
384.07266	82.1
384.18796	3.4
385.07617	10.9
401.62570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18293	1.2
59.01382	4.5
60.31314	1.1
61.98827	1.4
63.71644	1.0
65.67998	1.3
69.36985	6.0
71.01406	2.8
71.83597	1.0
76.06153	1.2
85.02928	1.5
89.02458	1.2
101.02447	1.3
149.02460	2.5
164.04993	1.5
166.31000	1.2
179.03558	1.3
205.05264	2.8
209.04871	13.7
210.05284	1.2
218.06143	4.2
220.04050	16.9
220.10585	1.9
221.04610	3.0
232.04156	2.1
233.04839	45.9
234.05603	34.0
235.06137	3.6
236.03529	20.7
237.04419	7.5
248.03549	97.5
248.07198	20.9
249.03934	10.9
249.07416	1.6
250.04846	1.2
251.05699	1.4
252.02956	5.7
262.05084	4.6
263.05887	33.3
264.03040	8.6
264.06366	6.5
265.03607	3.4
266.04706	4.1
266.08240	13.4
278.08246	100.0
279.02148	1.5
279.05383	7.7
279.08597	9.7
280.02487	6.3
280.05884	2.5
283.06155	1.8
292.02594	2.5
292.06058	3.1
294.04135	8.3
294.07675	4.3
298.08490	3.8
308.09360	9.5
309.06525	2.5
310.07248	2.4
322.07230	18.5
323.07413	2.0
324.08786	10.9
325.09421	3.4
352.08304	1.9
384.13782	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.9
73.66190	0.6
76.99935	0.5
86.41751	0.5
105.76190	0.6
135.32600	0.6
143.72160	0.7
178.81877	0.7
197.39803	0.6
224.31180	0.6
251.03528	2.2
253.05089	1.4
254.05846	2.4
267.02942	1.9
268.06021	0.7
278.04697	0.6
279.02979	1.7
281.04544	0.7
294.05386	0.6
296.05673	9.0
297.06073	0.8
310.07169	1.3
311.08093	5.0
312.08618	0.7
324.05145	83.0
325.05508	8.5
326.10324	1.1
338.06821	1.6
339.03177	1.3
339.07492	69.6
340.07855	7.7
354.09848	100.0
355.10211	11.5
369.12195	71.8
370.12601	7.3
384.14569	78.6
385.14825	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	384.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41092	0.8
59.01383	1.8
61.98833	0.8
85.02956	2.5
93.37157	0.7
93.69406	0.7
101.77979	0.7
103.59451	0.8
111.00898	6.8
112.01231	2.5
123.10338	0.9
137.91898	0.8
251.03571	1.3
253.05124	1.8
254.05867	1.1
267.03027	2.2
268.06070	1.1
279.03091	2.3
281.04465	1.3
296.05649	11.9
310.07220	1.6
311.08087	3.2
324.05151	84.5
325.05511	7.4
326.10501	1.5
338.06741	1.8
339.07492	65.9
340.07816	7.7
354.09860	100.0
355.10251	12.5
369.12207	72.2
370.12540	8.0
384.14572	73.1
385.14966	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	384.9726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18614	1.3
56.38861	1.3
57.03440	3.0
59.01378	9.2
65.00697	1.3
67.01894	3.8
69.89310	3.2
69.89671	2.7
71.01369	6.4
73.02966	1.9
81.03480	2.0
85.02957	81.0
87.00873	3.2
89.02451	2.5
90.97144	6.5
93.03474	2.7
97.06251	1.6
101.02446	5.1
111.00885	30.1
113.02448	2.9
123.04545	1.9
125.02457	1.4
129.01958	44.4
131.32709	1.3
139.79169	1.4
144.98257	1.8
149.02448	2.3
156.98201	5.6
158.99771	48.5
161.04666	1.9
162.05594	2.9
164.04771	2.0
166.96550	2.6
173.00916	13.0
173.04582	2.6
178.08745	1.4
179.07228	2.0
182.53783	1.5
184.97699	100.0
185.97951	3.3
191.01949	2.1
191.05620	5.5
206.99770	27.7
209.01318	3.8
210.96428	2.6
223.04558	4.9
223.06247	3.7
223.08286	4.2
225.00841	6.6
227.02409	18.9
228.96667	27.7
234.99257	10.8
253.00284	28.7
254.00543	2.3
260.97141	1.8
278.98248	58.7
279.98550	4.0
296.99319	26.9
322.97235	8.1
340.98233	11.5
385.07895	2.2
385.13080	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	384.9726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10268	1.0
53.93362	1.0
55.01886	7.7
57.03446	6.0
59.01385	85.3
62.40225	1.1
63.52253	1.0
67.01898	1.7
68.99833	1.4
69.03461	1.6
69.90535	2.3
71.01388	70.0
72.99318	2.1
73.02956	27.3
75.00874	2.2
75.19415	1.1
76.07185	1.0
77.47366	1.0
83.01395	14.5
85.02959	48.8
87.00887	8.4
89.02451	33.5
90.97144	5.7
93.03457	1.1
95.01395	6.4
97.02972	3.5
98.21941	1.8
99.00900	8.2
101.02451	83.6
111.00891	21.2
113.02468	33.5
119.03531	12.4
119.05038	4.4
123.04483	1.6
125.02456	2.8
129.01945	3.8
143.03566	6.6
145.55405	1.3
149.02444	2.2
149.04718	1.3
149.06082	3.7
156.98227	2.9
158.99785	31.1
159.03004	3.8
161.04584	35.6
162.05656	9.8
163.05981	2.4
166.96616	2.8
178.08746	5.2
179.05595	6.9
179.07076	2.5
179.09070	1.3
184.97699	79.5
185.98059	2.1
191.02057	1.3
206.99776	19.8
208.00195	1.5
209.01384	2.6
210.95680	1.8
223.06210	5.7
223.08238	100.0
224.08473	1.8
225.00781	5.5
227.02426	13.0
228.96698	28.6
229.96883	1.6
234.99240	11.1
253.00325	18.8
263.07776	1.6
266.98325	2.3
278.98236	45.0
279.98605	2.4
296.99280	19.5
304.96182	1.5
322.97290	4.3
323.09677	1.3
324.95227	1.7
325.11456	1.7
340.98264	7.6
384.12894	2.0
384.97134	2.4
385.13553	71.6
386.13931	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	384.982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10036	0.9
55.01879	0.9
56.69846	0.8
57.03452	4.4
59.01385	3.2
67.01904	1.8
71.01389	2.7
73.07285	0.8
85.02959	100.0
86.03313	1.6
87.00878	1.2
89.02487	1.4
90.97147	3.9
101.02476	1.3
111.00895	26.1
129.01955	52.8
130.02304	1.5
134.03778	1.9
147.03024	3.3
156.98213	2.4
158.99779	31.8
166.97542	3.9
173.00932	12.5
184.97696	63.3
185.98042	1.7
191.01956	7.5
191.05699	1.2
206.99773	18.5
209.03036	2.4
210.96516	3.6
223.04593	2.9
223.08176	1.7
225.00806	2.8
227.02396	9.8
228.96669	21.7
229.00192	1.4
229.97002	1.3
232.97630	1.4
234.99266	7.4
253.00299	16.6
260.96951	1.3
266.98358	2.0
278.98248	32.0
279.98572	1.4
296.99277	17.2
297.99713	1.3
304.96213	1.7
310.97281	1.6
322.97250	4.1
324.94907	1.2
340.98297	6.7
342.11115	1.0
384.97516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.9817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66254	0.9
52.94971	0.9
59.01377	1.8
67.01875	1.0
70.60306	1.9
71.01369	1.1
72.46832	0.9
75.02827	1.2
83.59692	0.9
85.02956	100.0
86.03263	1.5
87.00861	2.1
90.97128	2.4
98.01767	1.0
106.62744	1.0
111.00886	12.6
129.01955	69.3
130.02249	2.2
134.75543	1.0
149.02393	1.4
156.98227	1.5
158.99782	22.9
162.05576	1.0
166.96562	2.3
173.00929	18.1
184.97691	44.7
185.98064	1.6
190.81918	1.0
206.99760	15.4
209.01344	1.8
225.00760	2.3
227.02391	8.2
228.96646	12.1
234.99271	5.2
241.24464	1.1
253.00287	11.9
254.00334	1.2
278.98257	26.4
279.98508	1.5
296.99207	11.4
297.99640	1.1
322.97147	4.0
340.98029	5.5
352.05310	1.2
366.96475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1146
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.01888	1.3
57.03461	9.9
59.01385	34.9
61.30392	1.0
71.01394	14.0
72.99311	2.5
73.02964	1.0
75.00864	1.6
83.01395	2.9
84.02187	1.4
85.02960	88.8
87.00900	3.4
89.02464	9.6
93.03479	1.6
95.76642	1.1
98.22722	2.5
101.02440	5.7
103.00387	1.4
109.02992	1.5
111.00877	3.5
113.02458	4.3
119.03500	2.4
119.05090	1.1
121.02991	11.3
129.01987	5.6
133.01466	1.3
134.03758	4.2
135.04556	3.3
135.98018	1.2
147.03014	8.5
149.02454	60.8
150.02834	1.7
152.01143	3.0
155.05917	1.2
163.04024	5.2
164.04816	52.4
165.01944	1.4
165.05139	4.3
173.00911	2.1
175.00348	2.6
179.05672	2.2
179.07141	20.6
179.08592	2.2
180.07500	1.4
181.05077	2.5
190.02756	6.1
191.01991	26.9
191.03595	2.2
193.01427	11.9
193.05118	1.5
205.05043	8.6
208.03799	26.5
209.03009	34.0
223.06136	100.0
224.06499	5.7
225.05550	4.3
253.05063	3.3
265.07278	2.4
311.11713	5.7
311.23544	1.0
326.10504	1.1
326.13974	7.3
351.65222	1.3
361.79477	1.2
385.11197	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	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05234	0.4
58.88798	0.4
59.01399	2.8
69.26231	2.6
71.01398	1.2
89.02451	1.8
92.41997	0.5
93.03455	2.7
98.21890	1.1
121.02967	8.5
134.03745	0.8
135.04568	4.1
149.02458	47.6
150.02771	1.9
151.03983	0.7
152.01137	3.5
161.02460	1.0
161.06113	0.6
163.04047	6.7
164.04813	41.6
165.01929	2.6
165.05145	2.2
167.03616	0.6
169.05139	1.2
177.05629	0.6
179.05710	0.6
179.07146	11.4
179.08734	0.6
180.07483	0.9
187.04097	0.5
193.01430	20.4
194.01765	1.0
205.05153	1.0
208.03777	40.3
209.04120	2.4
223.06137	100.0
224.06464	6.6
235.28909	0.4
252.22293	0.5
265.07257	1.2
385.11380	1.2
391.76230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
54.90352	0.4
59.01381	3.1
61.51849	0.4
67.43963	0.4
69.19848	2.4
71.01402	1.1
71.40607	0.4
73.02968	0.4
75.34164	0.5
76.87551	0.5
82.61096	0.4
84.73471	0.5
85.02985	0.6
87.00919	0.6
89.02454	1.6
91.05522	0.8
93.03463	1.7
101.02464	1.0
102.38404	0.4
113.02457	0.7
119.03506	0.9
121.02978	6.3
132.07811	0.5
133.02946	2.0
135.04576	4.4
149.02460	39.2
150.02745	2.1
152.01167	3.3
161.02461	7.2
161.06070	0.6
161.51941	0.4
163.04015	6.4
164.04811	40.3
165.01930	2.0
165.05141	1.9
167.03535	0.6
169.05161	1.2
179.03641	0.7
179.05656	0.9
179.07153	11.4
180.07518	1.0
188.15472	0.4
193.01437	16.3
194.01756	0.7
208.03790	37.9
209.04134	2.1
223.06137	100.0
224.06459	6.3
233.04675	0.5
265.07462	0.7
351.75027	0.5
385.11462	5.6
385.16019	0.8
386.11755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87297	8.6
52.23350	8.0
59.01379	100.0
69.42738	20.4
69.43122	17.3
71.01381	51.0
82.16165	8.4
85.02962	22.5
89.02468	55.1
91.05515	11.2
98.22656	15.6
101.02438	34.4
102.46484	7.0
113.02451	24.7
119.03496	9.8
129.01987	9.8
133.03000	18.8
149.02385	15.8
153.09253	10.8
161.02487	41.1
161.04556	8.7
161.06081	8.6
164.04829	29.2
173.32599	8.0
179.05664	8.7
181.08688	8.9
187.04036	20.3
194.58884	9.0
209.06668	22.7
223.06120	38.3
385.11322	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12325	8.9
59.01388	100.0
69.43219	50.5
71.01382	72.1
85.02954	23.8
87.00887	13.8
89.02444	60.9
101.02453	33.1
113.02437	19.4
117.07065	12.0
119.03519	20.0
121.02991	13.3
149.02446	35.7
161.02431	30.5
161.06200	11.9
163.04007	12.2
164.04776	37.6
179.05688	17.2
181.04836	13.3
189.98419	10.0
205.05034	30.9
208.03786	18.7
209.06702	23.6
223.06163	78.6
325.09305	15.2
385.11523	26.1
385.24683	12.9
397.77338	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	385.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
57.03459	7.7
58.88680	1.1
59.01386	100.0
60.01735	1.4
61.98841	12.6
65.04478	1.1
70.58358	1.1
70.92974	1.9
71.01389	8.5
73.02944	1.9
83.01392	2.2
85.02960	62.1
86.03287	2.8
87.00883	1.6
89.02456	4.0
95.01342	1.4
99.00905	1.1
100.33678	1.1
101.02444	7.3
101.82922	1.1
103.00378	1.6
111.00862	3.2
112.64325	1.3
113.02469	3.5
121.02970	1.8
129.01964	5.5
130.08771	1.9
133.01425	1.2
134.03760	3.3
141.02119	1.3
147.02975	7.0
149.01335	2.0
149.02428	8.8
161.04588	3.5
164.04823	9.9
168.82463	1.3
173.04556	1.2
177.00728	1.4
179.07188	3.3
191.02014	14.6
192.03021	1.7
193.01434	1.8
193.05109	2.0
193.34254	1.2
208.03815	3.3
209.03004	7.2
223.02699	1.3
223.06174	12.3
224.05736	2.6
228.74133	1.3
246.88029	1.2
324.19635	3.6
325.14963	2.3
325.77036	1.2
346.45593	1.3
385.12280	4.2
385.17035	6.0
386.10754	1.4
391.87830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.6
57.03455	4.4
58.00609	1.1
59.01386	71.0
60.01744	1.7
66.84440	0.8
68.99800	0.8
69.17420	4.2
71.01389	67.3
72.01736	1.1
72.83183	0.7
72.99303	1.8
73.02956	11.6
76.76221	0.6
81.03432	0.8
81.77565	0.6
83.01402	5.2
83.05067	1.1
84.02141	0.7
85.02962	21.0
87.00891	2.6
88.01168	0.6
89.02459	32.9
92.17451	0.7
95.01395	4.6
95.05045	1.4
97.02962	5.8
99.00883	4.8
101.02457	32.3
105.07114	1.1
108.05825	1.8
109.06586	2.0
111.04532	1.2
113.02466	24.9
113.06100	3.0
119.03519	12.3
122.03773	1.7
123.08138	4.5
125.06094	6.5
129.93166	0.7
131.03552	1.3
136.05324	3.3
137.06059	2.2
138.06886	19.9
139.07687	7.6
143.03496	2.5
147.08162	0.8
149.02457	1.2
149.04616	1.0
151.07671	17.2
152.04842	2.5
152.08449	39.8
153.09233	100.0
154.09584	4.2
159.02982	4.0
161.02458	1.2
161.04570	15.0
161.05882	1.4
161.09746	1.0
163.11296	3.9
164.04805	1.1
165.09225	1.5
167.07109	1.8
179.05627	2.4
182.71033	0.7
189.09261	1.4
190.10017	1.9
192.03065	3.7
205.12349	27.1
206.12674	2.3
208.03853	0.7
215.23647	0.8
220.98029	0.7
223.06168	2.3
223.13409	11.4
224.05725	1.8
224.13556	0.8
385.11298	1.0
385.18811	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.6
71.42169	2.5
74.20418	1.9
93.54964	1.8
98.55922	1.8
109.21116	1.9
172.15358	2.0
205.19672	2.1
205.97588	1.9
249.18633	100.0
250.18935	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	385.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.5
69.39605	2.3
69.40004	5.3
94.04190	1.3
101.19730	1.4
115.07697	1.3
121.02937	2.4
167.14424	3.1
195.13904	11.5
293.21204	10.6
294.21484	2.0
311.22308	100.0
312.22656	9.7
385.14572	4.0
390.36609	1.5
391.23196	1.3
399.05737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.85428	5.1
79.32724	1.7
120.98949	2.0
124.62180	1.7
126.46863	1.9
141.29428	1.5
169.47478	2.1
185.67628	1.8
194.74489	2.1
214.39436	1.7
257.77197	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	387.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02233	1.0
52.11155	1.1
55.80164	1.0
59.01387	100.0
60.01721	0.9
69.30034	2.7
69.30437	3.9
85.00462	4.3
87.08884	1.0
103.01512	71.8
103.92010	1.2
113.47127	1.2
141.01726	2.3
157.03532	1.6
159.01561	1.3
184.01106	2.1
199.98865	2.1
201.02588	26.0
202.02859	3.1
213.85422	1.4
217.00511	1.0
228.01274	1.2
243.98892	1.9
245.02670	38.4
246.02818	4.4
339.06018	1.1
343.03922	1.4
399.94699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98832	79.2
62.36803	10.4
70.71969	17.3
71.01396	50.9
85.02950	52.0
89.02456	60.6
96.96034	15.6
99.00882	15.5
101.02451	29.4
113.02502	20.6
115.48697	10.3
125.02529	16.3
128.03528	16.3
135.04622	11.6
151.04071	11.2
177.01865	15.4
182.06311	12.1
192.04381	14.6
195.02959	15.5
225.07736	35.6
233.06648	13.7
277.86551	11.8
293.08890	21.5
293.89139	13.2
351.12946	34.0
387.10666	44.0
388.16232	13.0
388.21259	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42852	1.1
55.01878	1.9
57.03455	4.2
58.00583	1.2
59.01385	100.0
61.98835	1.5
68.66505	0.9
69.03471	8.7
69.46329	4.1
71.01389	74.9
72.99309	2.3
73.02956	13.6
74.02472	3.1
74.50643	1.0
74.66946	1.0
75.00874	2.5
81.03461	4.7
83.01381	5.4
85.02952	12.6
87.00897	2.3
89.02452	96.1
90.02789	2.3
93.03467	52.2
93.38799	1.2
95.01395	2.1
97.02968	11.5
99.00896	14.6
99.04532	4.1
101.02449	22.1
103.27945	1.2
107.15224	1.0
110.02473	1.3
111.00909	2.6
113.02464	13.7
115.04031	8.9
115.08807	1.1
119.03479	3.6
123.77194	1.2
125.02461	48.9
126.02764	1.4
127.04018	1.5
131.03514	13.4
137.09692	2.2
143.03482	3.0
149.04572	11.9
150.03200	1.9
161.04521	5.5
164.03491	5.7
165.05603	1.9
173.04628	1.2
177.01991	1.1
191.05592	8.6
207.06589	1.7
215.05641	1.4
218.13631	1.2
225.14972	1.5
233.06670	36.7
234.06949	1.4
293.08804	32.9
294.09000	2.6
343.19809	3.6
380.64227	1.3
387.13062	2.6
387.22656	2.1
388.21271	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.7
57.03458	1.1
57.46136	0.7
59.01384	81.5
60.01716	1.5
69.38903	3.0
69.39244	1.2
71.01389	27.5
73.02960	1.3
73.04045	0.7
74.02473	9.2
77.03994	0.8
83.01408	1.7
85.02946	5.2
86.02521	0.9
87.00874	0.9
89.02452	30.9
93.03480	1.2
95.01408	2.4
95.05067	1.5
95.66393	0.7
96.96025	15.1
101.02456	18.6
104.03555	4.1
112.02787	1.3
113.02463	11.6
119.03518	12.3
121.03000	1.3
129.10353	21.2
130.08774	1.3
131.03513	1.2
138.03230	0.9
139.00443	1.3
143.03471	0.9
143.11896	3.0
146.49327	0.8
149.02472	5.3
153.10353	0.9
155.11922	4.3
161.04504	1.5
163.11305	8.8
164.04858	0.9
169.09819	4.2
177.01949	38.4
178.02478	2.9
179.05699	0.9
184.49382	0.8
186.12488	3.3
187.10896	1.8
192.04301	51.0
193.04813	3.9
200.14000	2.1
207.06644	100.0
208.06937	7.0
209.04462	1.8
212.13957	1.5
238.19287	0.8
239.05672	1.2
282.18420	0.8
300.19437	1.3
313.22757	1.3
325.22281	3.9
343.19867	1.0
343.61539	0.8
357.21490	12.7
358.21765	0.9
369.21933	0.8
387.12973	13.3
387.16693	18.6
387.22504	18.7
388.17023	2.0
388.22415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.5
57.03445	1.3
59.01384	18.3
60.01735	0.6
60.61967	0.4
62.36101	0.3
67.01905	0.5
68.99816	0.6
69.03468	0.5
71.01394	6.8
72.99316	1.5
73.02946	2.5
75.00876	3.1
80.28822	0.4
81.03456	0.7
83.01403	1.2
83.05024	0.5
84.02151	0.5
85.02955	6.3
87.00904	0.7
89.02451	3.7
93.03490	1.4
94.06631	0.7
95.01378	2.0
95.05067	0.6
97.02970	0.6
98.21873	1.0
99.00883	0.6
101.02451	4.0
108.02184	2.0
109.02969	3.4
111.00886	1.0
113.02477	3.8
119.03534	1.9
119.05065	0.4
121.02975	6.0
121.06557	0.4
122.03786	2.6
122.06146	2.3
123.00909	3.9
123.04549	1.0
124.01658	0.7
125.02460	1.4
132.04544	1.4
133.02954	0.7
134.03731	0.9
135.00923	0.4
135.04620	1.0
136.01675	69.6
137.02487	16.4
138.03003	0.6
147.04495	1.0
148.04059	0.5
149.02501	1.4
149.06108	1.3
150.03246	0.9
151.00406	15.5
151.04022	100.0
152.01073	1.3
152.04433	4.0
154.02710	0.5
159.04492	1.3
160.05327	1.5
161.02402	0.8
161.04506	2.0
162.03220	1.9
163.04013	2.1
164.04808	0.5
165.01917	0.9
166.02725	37.7
167.03365	3.1
174.03293	0.7
175.04044	1.6
175.07596	1.2
176.04852	0.6
177.01953	3.8
177.05576	2.1
178.02684	0.6
179.03505	1.2
181.05081	62.3
181.12314	0.7
182.05354	2.8
184.03839	0.7
187.03993	0.8
189.05597	1.2
190.06395	1.3
191.03551	0.9
192.04387	0.6
193.05067	0.9
195.02965	0.9
203.07121	0.6
205.05078	1.4
205.08699	1.3
206.05836	0.5
207.06703	0.7
209.04561	0.5
239.03410	0.6
267.11481	0.6
271.05930	0.9
284.07059	0.5
285.07349	0.5
297.07126	0.5
299.09277	1.1
301.16522	0.8
311.10129	1.4
313.20486	0.5
326.11795	0.5
327.14383	0.7
329.10303	3.0
330.10495	0.7
341.13852	1.3
357.09827	18.9
358.10214	2.1
372.12158	14.4
373.12524	0.7
381.78293	0.5
387.14508	38.1
387.20160	7.6
387.24173	1.8
388.14999	4.6
388.19861	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1668
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.35680	0.5
55.01872	0.6
55.29219	0.6
57.03437	0.7
58.00590	0.6
59.01386	89.1
60.01722	0.8
63.32779	0.5
64.89933	0.5
71.01388	20.7
72.99318	0.7
73.00365	0.5
73.02962	2.2
83.01405	2.2
85.02957	3.9
87.00884	0.9
89.02451	17.7
95.01404	1.4
96.96030	3.0
98.00166	0.6
98.21812	1.1
99.00860	0.7
99.93019	0.5
101.02449	10.8
111.80193	0.5
113.02464	8.3
119.03491	6.7
122.91514	0.6
134.69000	0.5
143.03535	0.9
146.34398	0.5
153.03665	0.6
161.04546	1.0
163.11292	6.1
166.05058	0.8
174.27353	0.5
179.05588	1.2
207.10263	15.9
208.10649	0.9
310.11041	0.6
325.13266	0.8
340.15469	0.7
369.15506	0.8
387.16653	100.0
388.11951	0.8
388.16977	12.2
388.21539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03457	2.6
58.00586	1.4
59.01386	100.0
59.99597	0.7
60.01715	1.4
69.17712	4.2
71.01388	59.4
72.01723	0.8
72.99332	1.5
73.02958	4.9
77.46777	0.8
83.01393	2.3
85.02953	10.5
87.00883	2.5
87.30073	0.7
89.02451	66.9
90.02792	1.6
92.69760	0.6
94.06642	1.7
95.01421	3.2
98.22629	1.6
101.02454	22.3
108.04610	0.9
113.02462	19.8
119.03512	22.3
120.03889	1.0
122.06136	9.3
131.03545	2.2
132.04564	5.5
143.03502	4.0
149.04626	2.1
151.04022	0.8
155.79178	0.7
161.04623	5.7
179.05632	11.5
207.13966	2.2
208.06297	0.8
225.06740	1.1
239.12096	1.2
267.11472	2.5
283.11148	0.8
311.10516	3.6
343.13190	1.2
369.19531	0.9
387.10931	3.3
387.19940	1.3
387.24097	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06720	90.5
57.10223	79.5
71.38404	94.8
91.28776	98.5
92.34713	100.0
118.59650	81.2
172.64925	90.6
176.17830	88.3
228.35606	99.8
260.76776	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46032	30.2
59.01387	41.3
67.80016	29.7
69.92874	100.0
71.98024	29.8
138.15729	28.3
194.91231	32.4
201.74715	31.9
209.32523	38.1
240.33453	32.8
250.47725	30.8
385.33008	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	388.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29378	2.4
61.98835	100.0
69.85502	4.7
72.78473	2.4
78.22861	2.6
98.21970	5.4
101.72543	2.4
269.20264	2.4
288.25412	2.8
311.50632	2.4
340.32193	2.5
351.34271	2.4
358.41833	2.5
388.22952	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	388.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
62.56148	4.1
68.98340	4.4
74.90768	5.1
96.96048	6.6
116.77426	5.1
145.23415	4.6
148.13512	4.7
176.10573	5.1
225.78383	4.6
228.84633	5.5
389.44678	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18689	3.1
50.82810	2.9
52.12356	3.4
55.14037	3.5
61.98837	100.0
65.47984	3.1
69.27675	17.5
70.30669	3.0
78.95886	5.8
87.72144	3.5
105.16269	2.9
145.53139	3.0
176.15636	3.2
177.53317	4.5
264.25708	3.5
368.91946	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87685	18.2
59.01389	18.3
61.98844	100.0
63.60462	15.9
65.55975	14.2
84.36722	14.8
88.72748	15.9
241.01405	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	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08705	3.1
55.98050	3.3
61.98837	100.0
70.74024	4.9
70.87875	3.5
75.97906	3.7
82.19402	3.6
85.26833	3.3
93.93676	3.3
96.95995	3.9
123.05801	3.5
140.10114	3.4
193.40839	3.5
248.69318	3.4
311.96179	4.5
340.22906	3.8
340.81424	3.7
354.24805	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74121	3.4
60.77129	4.1
61.98840	100.0
67.23206	3.4
70.28014	9.5
86.37107	3.4
98.22473	4.3
104.42928	3.7
270.85538	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	388.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.6
59.30883	5.3
61.98834	100.0
78.67947	7.4
78.68534	5.3
101.75050	5.6
120.84970	6.3
184.16121	5.7
184.91768	5.6
190.05133	9.7
242.06651	6.0
286.01318	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	389.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11967	0.4
55.01866	0.5
57.03442	0.6
59.01385	27.1
60.32924	0.3
60.99297	1.5
61.98814	0.6
66.88174	0.3
67.01896	3.1
69.03447	0.4
71.01382	7.8
73.02959	2.3
73.03310	0.4
75.00842	0.4
81.03461	1.3
83.01380	1.1
83.05061	0.8
85.02460	0.7
85.02959	9.4
87.00884	5.0
89.02449	4.3
90.80869	0.3
91.05537	0.5
93.03465	20.9
94.03787	0.5
95.01384	0.5
99.00880	0.7
101.02457	5.5
107.05060	0.9
109.02947	0.6
109.60973	0.4
111.04546	4.4
113.02470	2.6
119.03497	1.5
125.02456	0.5
127.04043	2.3
129.01926	0.6
130.08736	0.4
133.02924	0.7
135.04538	20.6
136.04877	1.1
137.02455	0.6
143.03543	0.4
149.02516	0.5
149.09674	0.5
155.03496	1.4
161.02480	2.8
161.04514	1.1
171.03041	0.7
173.04558	18.9
174.04886	0.7
179.03510	8.3
191.05627	100.0
192.05965	4.3
197.39235	0.3
200.27797	0.4
209.11812	0.5
227.12827	0.7
284.80627	0.4
291.89719	0.4
302.29626	0.4
351.20944	0.5
353.08786	33.9
354.09003	2.8
389.06653	3.0
389.18173	27.0
390.18628	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	389.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02729	1.7
55.01889	8.1
57.03447	7.3
59.01386	93.2
62.03426	1.8
66.08684	1.6
69.03461	1.6
69.41333	5.1
71.01388	100.0
72.99300	2.6
73.02955	41.5
75.00871	3.9
81.03461	2.2
83.01389	16.6
83.05048	9.1
85.02956	41.7
86.00097	1.6
87.00883	4.9
89.02452	16.2
95.01400	6.0
95.65769	1.4
97.02993	2.0
97.06577	2.5
99.00877	12.7
100.95235	1.6
101.02451	82.3
101.06123	1.8
102.02789	1.7
113.02460	41.0
119.03499	6.5
125.02431	2.1
129.01947	2.8
143.03540	4.1
145.05034	1.8
159.03035	10.5
161.04567	43.5
162.04874	1.8
171.10242	3.5
178.09514	1.8
185.11865	2.8
201.11421	1.6
209.11908	2.5
227.03488	12.8
255.02943	4.0
283.02469	3.4
284.03366	2.6
285.04004	2.0
313.12122	2.3
345.11154	18.1
347.17245	7.8
389.18057	28.9
389.25592	18.6
390.18674	2.0
390.23901	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	389.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02729	1.7
55.01889	8.1
57.03447	7.3
59.01386	93.2
62.03426	1.8
66.08684	1.6
69.03461	1.6
69.41333	5.1
71.01388	100.0
72.99300	2.6
73.02955	41.5
75.00871	3.9
81.03461	2.2
83.01389	16.6
83.05048	9.1
85.02956	41.7
86.00097	1.6
87.00883	4.9
89.02452	16.2
95.01400	6.0
95.65769	1.4
97.02993	2.0
97.06577	2.5
99.00877	12.7
100.95235	1.6
101.02451	82.3
101.06123	1.8
102.02789	1.7
113.02460	41.0
119.03499	6.5
125.02431	2.1
129.01947	2.8
143.03540	4.1
145.05034	1.8
159.03035	10.5
161.04567	43.5
162.04874	1.8
171.10242	3.5
178.09514	1.8
185.11865	2.8
201.11421	1.6
209.11908	2.5
227.03488	12.8
255.02943	4.0
283.02469	3.4
284.03366	2.6
285.04004	2.0
313.12122	2.3
345.11154	18.1
347.17245	7.8
389.18057	28.9
389.25592	18.6
390.18674	2.0
390.23901	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	389.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32029	0.6
55.01878	9.2
56.98028	0.8
57.03455	8.7
59.01385	62.4
62.93043	0.6
64.28604	0.6
66.49471	0.7
68.99814	0.8
69.03460	1.9
71.01387	100.0
71.45036	0.9
72.01724	1.3
72.99323	2.2
73.02953	40.6
75.00880	4.1
81.03474	1.2
83.01389	16.6
84.02175	1.0
85.02956	49.8
86.00101	1.6
86.03305	1.3
86.94444	0.8
87.00885	6.1
89.02453	11.9
95.01390	7.7
97.02969	2.2
99.00881	15.7
101.02451	90.8
102.02789	1.1
111.00901	1.6
111.08184	1.1
113.02459	41.6
113.39030	0.8
114.02792	1.0
119.03525	2.3
121.02972	0.8
125.02443	2.8
129.01967	2.2
131.03474	1.3
143.03520	3.8
153.09225	1.3
159.02998	12.5
161.04570	53.2
162.04976	1.6
165.12872	2.4
171.10304	7.7
172.99321	0.7
183.13913	4.1
201.11279	1.8
209.03804	1.1
215.13014	1.0
224.07280	1.3
227.12823	4.4
345.11090	19.2
346.11487	1.8
347.24710	0.9
371.24460	1.9
389.10187	2.6
389.25500	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	389.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	78.3
65.70763	11.0
69.43887	21.6
69.44287	34.6
71.01388	38.6
73.02946	15.4
85.02950	65.6
89.02462	31.8
94.96434	10.4
98.22718	9.8
101.02484	22.3
105.24591	10.3
111.00941	23.6
113.02471	20.3
121.06583	15.2
123.74298	12.1
129.01987	29.3
162.99103	22.1
166.05020	15.3
169.30626	10.8
173.56274	11.1
188.96979	43.8
207.51930	12.2
209.94926	12.3
210.98988	12.4
221.10403	25.3
231.01610	14.9
232.96065	15.7
256.99539	14.1
282.97537	30.1
315.10834	20.6
353.14590	100.0
389.12308	72.4
390.22797	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27121	0.6
53.46344	0.6
59.01386	100.0
60.01722	0.9
61.98830	0.8
69.25439	2.0
69.25829	1.4
71.01395	6.7
73.02966	2.1
81.03476	1.2
85.02963	2.5
89.02463	1.7
95.05070	1.5
96.55366	0.7
96.75544	0.7
99.00932	1.4
101.02454	3.7
113.02480	3.0
121.02953	0.9
122.03780	2.0
122.06194	0.7
138.02161	0.7
152.04807	17.7
159.03018	0.8
161.04597	5.5
166.05121	14.9
167.07156	29.9
168.07524	1.6
191.42174	0.7
197.76665	0.7
206.34932	0.7
250.18233	1.1
326.21396	1.1
389.14938	0.9
389.21906	3.5
390.22916	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53658	1.6
52.35070	1.8
59.01385	100.0
61.92028	1.7
61.98848	11.7
70.53635	2.5
71.01393	14.0
76.98108	1.9
85.02970	3.4
89.02465	9.8
97.02955	4.9
98.93066	1.7
101.02462	6.3
107.05038	4.5
108.02638	1.8
110.84174	1.7
113.02437	3.8
119.03500	5.6
121.06595	2.4
125.02448	1.7
127.55838	1.8
128.03564	2.9
129.86900	1.8
135.04536	54.2
136.04907	2.6
143.04622	2.2
152.01163	2.2
153.05591	2.6
161.04562	5.0
163.03937	2.2
166.05142	2.3
167.03462	3.7
167.07103	5.0
272.09082	2.0
297.09854	2.4
328.22791	2.7
344.22559	2.0
371.10068	2.9
372.21674	2.7
389.11090	6.1
389.21283	2.0
390.22913	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03440	1.2
59.01384	10.4
60.15781	0.4
69.03449	0.4
69.09985	0.7
69.10374	2.8
69.73209	0.4
71.01381	6.2
71.05028	0.4
73.02951	0.4
83.05040	0.7
85.02944	1.8
89.02462	4.3
95.01369	0.9
95.86733	0.4
97.06638	0.5
101.02463	2.8
111.08150	1.5
113.02455	4.8
113.06121	0.4
114.33883	0.4
118.03000	1.2
119.03500	1.3
160.20059	0.4
161.04579	1.0
165.12856	23.9
166.13200	1.8
167.14351	0.6
179.05682	0.6
180.02963	0.5
183.13902	79.6
184.14230	5.4
197.15494	1.1
207.13892	2.7
208.14279	0.4
209.11871	2.0
227.12895	100.0
228.13220	8.4
242.96335	0.4
249.61595	0.4
251.12854	5.0
269.13995	2.8
270.14053	0.5
304.54980	0.5
315.25372	0.4
346.00180	0.5
347.24466	0.5
389.17453	0.6
389.25296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.72634	0.5
54.38997	0.5
55.01884	8.0
57.03453	5.9
58.00602	1.4
59.01383	100.0
60.01731	0.8
67.84988	0.5
68.68118	0.4
69.03468	0.5
69.42066	1.1
69.42449	1.1
71.01386	95.8
72.01735	1.3
72.99309	1.8
73.02951	29.0
75.00883	1.1
76.59422	0.5
81.03491	0.8
83.01388	12.9
84.02168	0.8
84.18121	0.5
85.02956	42.4
86.00120	1.2
86.03313	0.5
87.00878	4.5
89.02451	43.8
90.02798	0.7
95.01395	7.2
97.02960	2.3
98.21906	1.0
99.00889	8.8
101.02451	74.7
102.02820	1.0
111.00889	2.3
113.02460	40.3
114.02778	1.2
119.03514	21.2
125.02483	1.4
129.01942	1.9
131.03557	2.2
131.08688	0.7
134.70010	0.5
137.87897	0.4
143.03517	4.6
147.11801	3.5
149.04559	1.3
159.02991	9.0
161.04573	40.0
162.04913	0.9
179.05594	5.4
198.36459	0.5
209.11717	0.5
227.16510	3.1
389.21826	78.5
390.22220	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	389.2186
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
50.40340	0.5
55.01886	1.3
57.03451	1.3
58.00594	1.6
59.01386	100.0
60.01727	1.1
69.22001	2.9
71.01389	56.1
71.05045	0.9
72.01735	1.1
72.99326	1.5
73.02950	5.5
74.47748	0.4
75.00877	0.5
83.01401	3.4
85.02960	12.9
87.00893	1.9
87.56835	0.4
89.02454	56.7
90.02802	1.0
95.01391	3.8
97.02975	0.6
99.00901	1.7
101.02454	36.1
102.02824	0.7
107.03561	0.6
113.02463	24.1
119.03514	24.9
120.03861	0.7
129.01973	0.8
131.03546	2.0
143.03534	3.6
149.04593	1.9
159.02998	1.3
161.04559	15.8
161.05867	0.9
179.05612	5.7
179.06995	0.6
191.05571	0.6
197.80383	0.5
209.15559	0.9
227.16554	3.8
237.49759	0.5
314.29535	0.5
389.17993	2.4
389.22018	22.0
390.18060	1.4
390.22446	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	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58104	21.0
58.90910	27.6
69.10895	25.3
69.49768	100.0
83.73756	22.9
86.04325	23.4
151.67633	21.3
167.14517	24.9
252.25607	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	390.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57818	0.7
65.99820	1.3
69.22040	0.6
77.38226	1.0
91.40863	0.8
101.13821	0.7
108.02190	37.8
109.02439	1.0
114.84073	0.8
115.03539	1.2
115.04292	15.0
115.05093	0.7
118.02972	3.6
121.10044	0.8
123.00900	1.0
131.03781	3.3
146.02518	1.1
153.05786	0.9
156.05840	1.6
166.06636	1.6
168.04460	0.8
179.07474	5.0
183.34081	0.9
194.06111	6.6
195.06828	2.7
205.85516	0.7
217.77805	0.8
222.05644	6.7
223.06404	100.0
224.06776	6.6
226.68755	0.9
228.98106	1.0
343.08469	1.3
347.07175	1.2
379.06055	1.7
381.13449	0.7
385.82681	0.8
390.12698	76.8
391.13086	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	390.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03451	0.8
59.01385	11.9
68.01608	0.3
69.03465	0.3
69.77151	1.2
71.01385	8.7
71.79373	0.3
72.99302	0.3
73.02965	2.7
78.40952	0.3
83.01390	1.1
84.04543	0.8
85.02966	3.5
89.02451	0.9
94.03020	0.4
95.01392	0.3
95.05042	0.5
97.01705	0.5
97.06614	0.6
99.00890	0.8
101.02458	6.6
110.02489	3.3
112.04062	10.8
113.02471	2.4
113.04385	0.5
122.06131	1.1
123.04549	0.6
124.04052	5.0
129.01917	0.3
129.03951	0.3
138.05624	0.4
140.07181	0.8
143.03511	0.4
143.24930	0.3
151.02808	0.3
159.03012	0.4
161.04591	2.5
166.05115	100.0
167.05472	4.2
182.37607	0.3
184.06151	4.5
204.83728	0.3
211.09747	0.6
223.08282	4.0
224.08623	0.4
247.13171	0.3
271.36716	0.3
349.48203	0.3
372.12350	0.3
390.14493	1.7
390.22885	8.0
391.15918	0.4
391.23315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02993	7.4
50.69223	8.8
59.01368	26.0
61.98837	100.0
79.40429	7.2
102.82684	6.5
107.11098	6.4
118.72782	8.2
123.94913	8.0
162.38528	8.2
193.94635	7.6
390.16153	8.0
391.23514	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	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33158	3.0
56.50912	3.1
59.01363	5.8
61.98835	47.0
65.00325	9.8
77.83515	2.9
81.74587	3.3
98.21865	7.5
109.02938	3.9
110.00099	13.8
132.02917	3.2
134.02530	6.3
136.04057	11.4
136.98856	5.0
137.99608	7.7
153.01955	26.4
164.98331	39.7
165.00645	8.1
178.01495	10.3
180.00639	9.8
180.03027	51.6
181.03387	4.2
195.05403	53.6
240.33354	3.8
300.05127	7.3
332.07550	3.6
358.05814	7.6
375.05994	8.0
390.08347	100.0
391.08588	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	390.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.0
61.98835	100.0
70.51617	5.6
85.99457	5.6
87.00887	6.6
98.21831	14.9
100.35564	6.6
125.09695	6.7
128.09035	5.8
130.31522	6.6
152.62515	6.0
155.10696	5.9
163.98579	5.8
297.00336	5.7
355.18042	10.0
365.86697	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	390.2291
Annotation	Pentagydine
Peak:m/z	Relative Intensity
54.83760	0.2
57.03453	0.5
59.01384	1.4
69.03451	0.3
69.35934	0.7
71.01373	0.7
72.84922	0.2
73.02933	0.3
81.03470	2.1
87.69370	0.2
89.02452	0.2
95.05042	2.7
98.22649	0.4
101.02449	0.4
109.06619	0.2
113.42467	0.2
121.06613	0.4
161.04645	0.4
166.05142	0.5
180.13971	0.2
193.05142	0.2
232.17102	0.5
250.18088	1.5
259.08255	0.5
262.17950	0.3
272.20276	0.4
326.21356	0.8
328.22906	0.7
331.07007	0.3
344.22226	0.4
390.22888	100.0
391.12573	0.5
391.23236	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	391.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03083	1.0
57.03418	1.1
57.06891	1.1
59.01381	18.2
68.44650	1.0
69.63866	2.9
71.01377	4.1
73.02944	1.6
83.02373	1.2
85.02972	1.8
87.45058	1.2
89.02469	2.3
97.06641	1.4
101.02458	2.8
113.02463	1.8
133.03015	1.5
134.03754	54.8
135.04294	2.1
137.02437	3.4
149.06090	15.5
161.04466	1.2
166.14027	1.1
176.03807	1.4
178.02724	26.0
179.03262	1.9
193.05069	100.0
194.05357	5.7
241.98184	1.1
331.13919	2.8
355.10382	5.1
391.15652	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	391.1038
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
51.64910	0.4
55.86452	0.4
56.58295	0.4
56.66467	0.3
59.01382	3.1
69.67458	0.7
69.67836	0.6
71.01390	2.0
73.02930	0.8
73.17085	0.4
85.02958	1.0
89.02447	0.7
94.71015	0.3
98.22582	0.6
101.02457	0.7
108.02181	8.3
109.02962	100.0
110.03317	3.7
113.02448	0.5
130.08455	0.4
133.01427	0.4
141.07176	0.4
150.54730	0.4
185.06090	32.1
186.06422	2.4
192.24419	0.3
194.02809	0.4
229.05077	79.8
230.05450	6.1
391.10315	1.7
391.19534	1.4
391.27301	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	391.1042
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
50.32563	0.2
52.26444	0.2
57.03452	4.9
59.01387	18.2
62.73870	0.2
63.02401	0.6
65.00327	5.8
68.13766	0.3
69.49030	0.6
70.41264	0.3
71.01388	2.2
72.97530	0.9
73.02943	0.6
81.03455	0.2
83.01394	3.6
85.02955	0.9
89.02451	1.1
95.01367	0.2
98.02399	0.2
99.04527	4.0
101.02467	2.5
107.01399	8.9
109.02970	0.2
113.02483	0.8
115.05558	0.3
117.20185	0.2
117.26436	0.2
119.03489	0.5
119.05048	3.3
121.02963	2.4
125.02464	2.3
130.59697	0.3
134.97586	0.3
135.98418	0.2
141.07111	0.6
143.03445	0.2
143.05045	3.9
144.05283	0.3
145.02972	10.6
146.03325	0.4
151.00394	17.8
152.00696	0.5
157.06577	0.8
161.04587	0.9
161.06099	3.2
162.06328	0.3
167.05072	0.3
185.06107	8.0
186.06468	0.5
187.04021	0.4
225.05617	1.3
227.03622	0.3
229.05080	100.0
230.05420	7.3
247.11917	0.6
253.05070	1.2
254.05334	0.2
271.06100	1.7
283.02591	0.4
284.03171	0.3
285.03952	0.3
331.17551	0.9
366.10458	0.3
391.10376	4.6
391.15402	0.4
391.19608	1.0
392.10904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80688	0.7
55.01858	0.7
57.03453	41.5
59.01386	49.1
60.01707	0.8
61.21627	0.7
65.00337	6.2
67.01884	0.8
68.17986	0.6
69.11134	2.0
69.11545	2.7
71.01391	11.3
73.02947	3.1
83.01392	6.4
85.02958	6.2
87.00845	1.0
89.02438	2.5
95.01457	0.8
98.40636	0.7
99.00888	1.8
99.04527	33.0
99.22459	0.9
100.04866	1.1
101.02458	17.7
107.01390	8.5
109.02953	2.5
113.02453	4.4
119.03526	0.7
119.05011	2.4
121.02967	1.7
125.02462	9.3
129.01979	0.9
135.98358	1.0
142.18124	0.7
143.05077	3.4
145.02965	9.9
151.00385	17.5
161.04578	4.4
161.06102	2.6
173.98613	0.8
185.06073	7.4
199.25520	0.7
210.26103	0.7
225.05707	1.0
227.03476	0.8
229.05067	100.0
230.05444	7.4
247.11909	13.0
253.05040	0.9
255.03014	1.4
271.06100	2.1
283.02457	2.2
284.03168	2.4
285.04138	1.3
289.13019	0.9
391.10693	4.4
391.15543	1.6
391.19995	3.4
392.26563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11009	0.9
57.03452	100.0
58.03771	1.2
59.01384	96.6
64.96636	1.0
66.11290	1.0
71.01389	17.9
73.02947	8.9
83.01401	5.6
85.02956	7.7
87.00873	1.1
89.02454	12.4
94.49152	1.0
95.01391	1.9
99.00882	2.2
99.04527	67.5
100.04847	2.1
101.02448	31.1
109.02953	7.7
112.22034	1.0
113.02448	8.6
119.03501	3.0
125.02449	16.7
130.08730	1.1
143.03517	1.4
161.04575	5.3
179.05603	4.1
185.06099	3.9
229.05043	6.9
247.11874	13.6
271.02728	1.3
289.12485	1.0
327.81836	1.1
391.15512	1.9
391.19839	4.5
409.16690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
58.87094	2.1
59.01384	21.4
72.82662	1.9
79.71065	1.9
99.92604	3.7
109.31976	2.3
111.08169	19.8
116.24774	2.4
147.11899	5.0
165.12857	3.1
169.12370	4.2
176.21469	2.3
197.11842	66.7
198.12222	3.8
199.13408	3.9
211.13438	3.9
211.79543	2.2
215.10501	8.1
219.10046	4.4
233.11597	100.0
233.13927	5.2
234.11909	7.8
249.13445	3.2
251.11230	3.9
291.19678	11.1
293.12479	9.7
309.20715	45.4
310.21100	3.1
313.17859	4.2
331.18924	6.0
391.20813	6.6
408.17749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	10.7
69.03461	1.5
69.30987	2.3
69.31378	2.7
78.37929	1.1
91.93890	1.0
91.98405	1.0
93.03480	2.7
97.02953	2.7
99.92586	2.2
107.05048	2.1
111.04488	1.0
125.09731	2.3
127.07520	1.2
137.09773	2.7
152.08438	2.1
161.09782	1.2
163.11281	3.1
165.12825	6.6
166.01225	3.3
166.10007	1.6
171.10292	1.7
179.10695	1.3
179.14423	1.4
181.12390	3.1
193.08553	1.9
193.15991	2.4
197.11890	1.2
203.10500	1.2
207.10081	4.5
209.15405	2.0
210.03923	1.4
219.10143	2.0
223.13356	2.9
231.10107	2.2
244.10904	2.1
245.19147	1.4
247.09515	1.3
247.20717	7.1
248.10263	6.8
262.11835	2.0
278.58276	1.1
279.72894	1.1
280.11514	1.6
291.19705	47.7
292.20071	4.9
294.09479	2.4
309.20752	56.5
310.21060	4.9
313.14551	1.9
313.17899	23.1
314.18320	1.7
331.18945	100.0
332.19299	10.8
391.19977	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2448
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
58.00340	0.5
58.00603	6.0
59.01385	6.4
59.66776	0.4
61.98838	2.8
69.03450	0.5
70.22247	0.8
71.01387	6.5
73.02956	1.1
83.05040	0.7
83.13705	0.3
84.02177	1.7
85.02942	3.0
88.01687	0.6
89.02452	1.7
95.05035	0.7
97.02945	0.8
98.02551	0.4
98.11760	0.4
98.21974	0.4
98.55199	0.4
99.00894	0.4
99.04575	0.4
101.02461	0.8
111.00874	0.5
113.02503	0.4
209.03117	0.4
217.00241	0.5
258.18622	0.9
260.16577	1.3
262.18124	1.6
268.17041	0.4
270.18625	1.1
274.18225	1.5
279.05060	0.4
282.18680	0.5
284.20197	1.2
286.21747	3.9
287.21957	0.6
288.23480	0.5
290.17651	4.6
296.20227	1.9
298.18707	0.5
298.21628	1.9
308.20251	1.1
309.20447	0.5
310.21454	0.6
312.19775	1.1
314.17770	0.6
314.21164	2.9
316.22876	5.0
317.23364	0.7
324.19797	0.8
326.21277	10.4
327.21729	1.9
328.22830	0.8
330.20667	0.9
338.21396	2.4
342.20737	3.1
343.20966	0.5
344.22318	32.3
345.22699	4.6
354.15012	1.5
354.20587	0.7
356.22412	2.9
360.21805	2.3
362.23611	0.6
372.21817	1.6
374.23389	10.5
375.23755	1.5
388.21417	0.5
390.22577	0.4
392.24448	100.0
393.24814	13.7
394.88562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.0
57.03451	3.3
58.00573	0.5
59.01385	32.6
69.03450	1.2
69.33587	1.1
69.34002	1.4
69.78406	0.4
71.01389	49.1
72.01694	0.8
72.99303	0.7
73.02954	35.2
75.00874	1.5
81.03461	0.7
83.01396	11.2
85.02958	27.5
86.00081	0.7
86.03292	0.6
87.00887	3.2
88.52818	0.4
89.02450	9.4
92.30061	0.5
95.01396	4.2
97.02953	2.0
97.06600	0.5
98.21963	0.9
99.00892	8.7
99.08153	1.6
101.02455	53.1
102.02788	1.2
111.00923	1.1
113.02464	20.6
115.04043	1.2
125.02493	2.4
129.01949	1.2
131.03520	2.9
134.63052	0.4
143.03535	2.6
143.04475	0.5
149.04559	1.2
154.61703	0.5
159.02991	4.6
161.04570	24.7
169.08699	0.7
169.15793	0.5
170.53079	0.5
181.86818	0.5
191.05692	1.2
233.06712	2.4
261.13446	84.0
262.13824	6.0
293.08719	0.5
393.17703	100.0
394.17993	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	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98340	1.2
55.01882	1.9
57.03453	100.0
58.03773	1.4
59.01386	76.3
68.40158	1.2
69.80556	4.6
71.01393	13.7
73.02943	5.2
75.00877	3.8
83.01372	3.8
85.02961	8.9
89.02478	3.0
95.01401	5.0
99.00885	1.7
99.04529	74.1
100.04905	1.9
101.02457	34.6
113.02446	6.4
118.46615	1.4
120.43108	1.2
125.02460	19.0
135.03012	6.2
152.74130	1.4
159.03043	1.6
161.04556	5.4
168.41310	1.3
184.61258	1.3
187.07539	1.2
249.13446	29.5
250.13786	3.6
291.14536	1.7
393.17920	4.1
394.07877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01907	1.0
57.03454	100.0
58.03801	1.0
59.01386	94.9
61.98838	1.6
69.03466	1.4
71.01391	15.2
73.02954	9.3
75.00881	2.3
83.01375	5.2
85.02956	11.1
89.02428	3.1
95.01397	4.5
98.22612	2.9
99.00878	2.4
99.04533	73.8
100.04848	2.7
101.02459	34.4
111.00882	2.6
113.02482	9.0
119.03513	1.3
125.02464	19.3
126.02882	1.5
129.01921	1.5
135.02998	6.3
143.03473	2.1
159.03064	1.9
161.04568	5.9
187.07623	1.6
249.13472	32.6
250.13817	1.6
275.09235	2.4
291.14401	1.7
331.17917	1.7
361.58005	1.1
363.17526	2.7
393.16934	2.4
393.21863	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	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03455	100.0
59.01386	87.0
60.01715	1.1
61.98808	1.2
71.01389	12.4
71.42221	1.3
73.02946	6.4
75.00874	1.5
81.03453	1.5
83.01396	5.9
85.02958	9.7
87.00890	1.2
87.04517	2.7
89.02419	1.9
92.09422	1.2
95.01384	3.0
95.56011	1.0
99.00867	2.9
99.04529	69.5
100.04837	2.0
101.02450	33.6
111.00901	2.6
113.02448	5.1
117.01970	1.2
119.03464	1.3
125.02464	18.6
135.03027	5.6
138.36569	1.1
143.03464	1.3
159.03098	1.2
161.04593	7.4
166.05072	2.7
193.05067	1.2
202.75330	1.2
249.13440	29.5
250.13846	1.4
256.03864	2.0
267.01877	1.3
283.02426	2.2
285.03741	1.4
291.14600	2.2
314.06555	2.5
361.02942	1.2
393.16882	1.7
393.21301	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03453	100.0
58.03798	1.6
59.01385	88.6
60.01722	1.0
67.64062	0.7
71.01389	17.7
72.99286	1.0
73.02956	8.6
75.00883	7.9
81.03456	1.8
81.25073	0.6
83.01401	4.1
85.02962	10.0
87.00874	1.3
89.02444	4.1
93.40399	0.5
95.01383	3.5
96.00926	0.6
97.26206	0.5
98.02482	0.7
99.00893	2.4
99.04528	72.3
100.04846	1.7
101.02453	34.9
111.00878	0.9
113.01827	0.6
113.02478	8.0
117.01932	0.7
121.12875	0.8
124.01637	0.7
125.02465	20.3
126.02712	0.9
129.01901	0.9
133.04088	1.3
134.03554	1.2
135.03015	20.2
135.04507	0.8
143.03506	1.7
150.03137	1.3
159.02927	1.7
161.03445	0.6
161.04591	6.6
165.05562	0.8
172.05336	1.2
176.04582	1.9
187.07649	5.3
188.08075	0.7
197.04539	0.7
213.09029	0.8
215.07104	1.2
231.06531	1.6
231.10130	1.8
231.15936	1.3
249.13455	30.5
250.13611	1.7
257.08298	3.4
275.09067	1.2
289.12994	1.2
291.14301	1.7
329.95111	0.6
331.17276	0.8
333.11670	2.0
333.18765	0.8
358.14539	2.7
371.72147	0.6
375.17087	0.8
377.29053	0.7
393.16693	4.5
393.21829	8.8
394.21265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38530	0.5
55.01879	1.7
57.03440	0.9
58.00592	0.9
59.01382	100.0
60.01711	1.3
61.20620	0.5
61.98854	0.7
65.00319	0.6
69.03462	0.7
71.01385	32.3
71.05039	1.5
71.45190	0.5
72.01741	0.7
72.99303	1.4
73.02950	29.3
75.00895	0.9
81.64841	0.5
83.01400	7.2
85.02957	8.1
87.00897	2.3
87.04527	4.8
89.02456	22.5
95.01411	2.4
96.86483	0.6
97.02963	0.9
99.00870	2.8
99.08187	0.8
101.02451	29.6
105.03375	0.6
111.00902	1.2
113.02460	13.0
119.03515	10.4
125.02477	1.4
126.71030	0.6
127.11324	1.4
131.03540	2.2
133.02895	0.7
134.03773	1.0
135.03032	2.6
137.22589	0.6
143.03525	3.5
149.04581	1.1
149.06276	0.6
155.52048	0.5
161.04562	7.7
161.05858	0.7
169.12381	1.0
177.02017	0.6
179.05602	3.4
189.14987	9.2
190.15395	0.7
203.05745	0.9
221.06589	0.5
231.10484	0.9
235.51038	0.6
275.09485	1.3
320.36508	0.6
333.19144	5.5
351.20258	36.9
352.20593	4.5
393.21204	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	394.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36798	0.9
59.01395	1.4
67.01894	8.3
69.18818	1.6
69.19227	5.0
69.99639	0.9
71.01376	1.3
71.55704	0.8
72.02152	2.1
85.02949	8.0
96.03600	0.9
96.04560	20.2
96.96024	1.3
97.06580	3.3
107.05019	0.9
110.06142	1.0
111.00890	100.0
112.01209	3.9
112.07687	10.2
119.85094	1.0
121.38300	0.9
125.05231	1.2
125.06103	15.0
129.01981	3.5
137.71780	1.0
141.09206	4.1
168.06670	1.1
179.03676	1.0
220.13480	1.7
238.14516	30.1
239.14926	1.9
276.09650	1.1
279.31744	1.1
288.16040	1.8
307.19171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
67.01894	5.0
69.45135	3.1
71.01359	1.6
72.02179	1.1
74.06181	0.6
81.50294	0.7
85.02958	45.4
86.03304	0.9
86.06086	1.1
87.43118	0.6
96.04562	17.2
97.06610	2.0
98.80749	0.7
100.66525	0.6
110.06142	0.7
111.00892	100.0
111.08147	0.7
112.01226	1.8
112.07684	7.3
125.06099	12.2
129.01958	22.3
130.02293	0.8
134.03786	0.8
141.09241	3.7
142.54144	0.8
164.10822	0.9
174.12962	0.8
188.14526	0.9
220.13434	2.1
232.27528	0.6
238.12076	1.3
238.14497	25.4
239.14876	2.1
253.10880	1.6
288.16183	1.0
350.16058	5.3
372.23123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01438	23.9
69.22224	66.0
69.22643	100.0
96.95979	30.4
114.06662	24.3
200.35582	25.7
206.40416	31.3
226.06154	28.7
266.47885	29.1
267.93973	31.1
382.16074	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	395.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	34.4
61.98832	50.3
71.13275	12.3
71.40163	15.0
83.70688	11.9
96.96021	63.0
111.00907	20.6
115.57977	12.1
134.58914	11.5
161.97026	13.4
202.72638	12.7
202.97946	12.0
230.08133	12.5
233.11534	18.2
261.91360	12.5
300.02087	11.5
310.52249	12.7
327.21698	22.9
349.19794	33.6
395.15329	100.0
395.20148	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	395.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64640	13.9
61.98835	17.8
69.13474	84.0
85.25692	11.6
89.21071	11.6
96.96028	100.0
101.81562	13.5
122.02464	14.6
126.63946	12.9
140.58501	11.5
166.01459	27.0
174.05609	22.4
181.03839	40.7
192.27382	13.0
196.06139	18.0
196.64536	12.4
230.08218	52.1
241.03780	19.9
249.04439	14.8
269.03290	30.9
276.01761	38.0
284.05533	33.9
300.04568	14.0
301.05927	26.6
307.77829	14.8
316.08276	56.1
387.26270	12.6
395.15564	79.7
396.03824	70.7
396.10886	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03782	2.0
59.01387	77.0
70.97413	1.1
70.97736	1.0
71.01390	15.9
73.02964	7.3
81.03431	0.9
83.00982	0.9
83.01377	4.9
85.02975	6.8
89.02451	2.6
95.01396	1.8
99.00908	2.2
99.04531	66.9
100.04862	2.3
101.02455	31.5
113.02466	6.9
119.03493	0.9
125.02452	18.5
128.55173	0.9
143.03485	2.2
159.03009	2.1
161.04561	7.0
193.73970	1.1
251.11365	23.6
252.11729	1.6
259.43918	0.9
281.03540	1.1
293.12424	2.0
383.59714	1.1
395.15408	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85635	0.8
54.57727	0.9
57.03453	100.0
58.03786	1.4
59.01384	76.7
69.82992	2.1
71.01386	16.1
72.57576	0.9
72.74117	0.7
73.02959	7.6
78.93739	0.8
83.01392	2.5
84.43524	0.8
85.02970	8.2
89.02436	2.0
95.01390	1.9
99.00883	2.3
99.04530	70.3
100.04839	1.5
101.01795	1.5
101.02452	28.1
111.33933	0.8
113.02450	6.9
125.02452	18.0
143.03558	1.3
159.03011	2.7
161.04573	8.0
251.11369	26.3
251.13931	1.4
252.11752	2.0
269.04074	0.8
293.12408	1.7
303.04791	0.9
395.15350	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48140	1.4
55.01869	1.3
57.03455	100.0
59.01384	95.3
60.01674	1.3
67.68315	1.4
69.55640	3.0
69.56056	4.2
71.01389	22.2
73.02943	10.2
76.20937	1.6
83.01384	3.5
85.02951	11.3
89.02454	4.9
95.01391	3.2
97.10049	1.3
99.00885	2.4
99.04529	77.1
100.04906	2.4
101.02455	39.7
113.02469	10.1
125.02454	32.9
134.66393	1.4
143.03511	4.8
159.02951	1.5
161.04570	15.1
203.30862	1.5
219.60855	1.4
233.10309	3.2
247.84848	1.3
251.11377	50.7
252.11572	2.9
252.46223	1.3
293.12411	8.4
333.15472	2.6
339.39166	1.5
394.02634	1.3
395.15845	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	395.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
57.03454	87.1
58.03772	1.7
59.01384	100.0
60.01714	1.6
70.96790	1.9
71.01021	1.7
71.01388	23.2
73.02945	9.0
81.03469	1.2
83.01385	4.6
85.02958	10.1
86.40852	1.1
89.02443	5.0
95.01392	2.2
99.00898	2.6
99.04527	70.7
100.04878	2.2
101.02450	37.0
113.02469	10.6
116.81508	1.2
119.03454	2.2
125.02457	26.4
127.73724	1.2
129.01996	1.6
143.03479	1.8
159.02934	1.8
161.04584	13.7
185.10291	1.2
233.10341	1.3
251.11375	37.6
252.11746	2.3
293.12411	6.9
335.16858	1.2
395.16522	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29686	1.2
52.87685	1.4
57.03453	86.4
58.03786	2.3
59.01384	100.0
70.82397	2.0
71.01389	24.3
73.02954	9.8
81.03465	2.2
83.01375	2.7
85.02951	10.1
87.00914	1.6
89.02459	5.1
99.00900	2.5
99.04527	70.6
101.02455	32.5
113.02454	9.7
115.72841	1.5
125.02460	27.8
143.03496	2.8
145.58107	1.3
158.85634	1.2
159.02986	2.1
161.04570	15.6
191.67953	1.4
233.10399	2.1
251.11374	49.5
252.11620	2.9
293.12347	8.6
333.15146	1.4
395.15576	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	395.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33234	1.5
57.03456	100.0
58.03775	1.7
59.01388	83.5
62.96791	1.6
71.01391	19.4
73.02944	8.1
83.01391	4.1
85.02960	8.7
89.02462	2.6
99.00863	2.1
99.04528	81.4
100.04885	3.1
101.02443	30.7
113.02456	6.1
125.02452	22.8
159.02998	1.7
161.04594	7.1
168.10582	1.8
251.11375	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41061	1.2
55.01879	1.4
57.03453	85.0
59.01384	100.0
62.16868	1.2
64.65059	1.1
69.84119	2.8
69.84467	2.4
71.01387	20.0
73.02943	8.6
75.00903	1.2
75.39117	1.0
81.03482	1.5
82.14528	1.0
83.01402	3.3
85.02966	9.8
87.00922	2.1
89.02438	6.8
93.74909	1.1
95.01389	2.8
99.00884	3.9
99.04528	72.4
100.04854	1.2
101.02447	32.8
113.02469	9.6
118.18748	1.0
119.03530	2.5
125.02469	31.5
126.02809	1.3
128.17435	1.2
143.03503	2.6
161.04565	13.5
174.04533	1.1
183.59625	1.0
202.67981	1.2
251.11383	34.0
252.11682	1.5
293.12317	7.2
333.14993	1.4
335.17084	1.9
357.17960	1.2
395.15195	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	395.1927
Annotation	Creoside IV
Peak:m/z	Relative Intensity
50.76226	0.6
53.61462	0.8
55.01880	6.0
57.03455	3.9
59.01384	40.5
59.23272	0.6
66.60184	0.7
69.03457	1.6
71.01387	53.1
72.01725	0.7
72.99277	0.9
73.02953	32.6
75.00836	1.0
78.95888	3.0
81.03482	0.7
83.00936	0.8
83.01400	12.5
84.33900	0.7
85.02957	28.5
86.00095	1.6
86.03321	0.9
87.00883	3.8
89.02453	11.4
95.01392	4.4
97.02953	2.7
99.00290	0.8
99.00903	11.1
99.04559	0.8
99.08100	0.7
101.02452	61.5
101.09755	0.8
102.02791	1.4
111.00887	2.3
111.48431	0.6
113.02462	21.4
115.04004	2.2
119.03467	1.3
120.40108	0.6
122.07548	0.8
125.02435	3.3
128.13708	0.7
129.01955	2.4
131.03500	3.4
141.01918	0.7
143.03473	2.7
147.02998	1.1
149.04585	1.8
152.99573	2.4
156.96243	0.8
159.03001	4.9
161.04573	25.8
233.06628	2.5
263.15002	100.0
264.15353	6.1
293.09006	1.0
395.19244	87.0
396.19547	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	395.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.9
57.03463	5.3
58.00619	0.8
59.01385	53.4
61.98835	1.8
63.40614	0.8
69.03449	2.2
71.01392	55.1
72.99310	1.3
73.02954	37.5
74.03307	0.6
75.00879	2.4
83.00923	1.1
83.01402	14.3
85.02961	30.1
86.00101	2.0
86.03307	1.0
87.00874	4.1
89.02451	11.3
95.01382	8.7
96.01724	1.5
96.95991	0.9
97.02946	2.9
99.00890	12.6
99.08163	1.3
101.02455	67.3
101.09678	0.8
102.02758	1.4
111.00922	3.6
113.01712	1.5
113.02468	23.1
113.03262	1.3
114.02797	1.6
115.04029	1.4
118.02997	6.4
125.02452	3.0
129.01984	1.5
131.03508	3.1
131.07739	0.7
140.23364	0.8
143.03496	3.2
149.01163	1.2
149.04509	1.3
159.03018	5.2
161.04578	21.5
191.05623	1.4
233.06662	3.1
239.22894	0.8
252.56664	0.8
263.15018	100.0
264.15305	7.4
269.03311	1.1
284.05743	1.8
284.45160	0.8
293.08789	1.1
316.08218	5.3
351.09161	1.2
395.08261	2.6
395.19244	70.4
396.19504	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	395.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.1
57.03456	4.9
58.00579	0.8
59.01384	49.0
60.01716	0.7
61.98816	1.7
65.97561	0.6
67.15912	0.7
68.99833	1.9
69.03464	4.0
69.31252	4.2
71.01387	55.1
72.01739	0.8
72.81844	0.7
72.99317	1.2
73.02954	36.4
75.00860	2.3
75.68875	0.7
79.20616	0.8
83.01394	14.5
85.02955	31.5
86.00095	2.5
87.00883	4.0
89.02455	12.4
95.01396	13.4
96.01736	4.3
97.02956	3.8
99.00893	11.4
101.02454	63.2
101.09759	1.1
102.02753	1.6
105.01948	0.9
111.00892	3.5
113.02459	26.4
114.02808	1.3
115.04043	2.3
118.02972	2.2
119.03530	1.1
125.02429	5.1
129.01910	1.1
131.03503	4.2
132.12849	0.8
143.03534	2.5
157.01440	1.2
159.03004	3.9
160.14836	0.8
161.04572	22.1
180.03069	1.6
181.03423	1.1
195.05403	1.0
196.05766	1.3
221.02879	1.0
223.76231	0.9
233.06685	2.0
263.15012	100.0
264.15323	6.9
316.08368	1.2
322.18536	0.8
330.03885	0.8
351.08972	2.6
352.19617	1.1
395.08490	5.6
395.19244	74.2
396.19543	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	395.2571
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
50.68746	71.4
59.01388	100.0
71.42354	85.3
91.59632	63.2
110.03937	70.8
117.37536	74.5
132.26070	71.0
167.34229	73.9
215.51628	92.0
230.08237	98.6
395.25381	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2593
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
51.50978	0.8
55.37256	0.8
57.03453	31.6
64.13145	0.7
68.10747	0.8
70.82684	1.0
86.96233	0.9
111.21329	0.9
158.98558	0.7
161.26683	0.7
163.11299	100.0
164.11620	6.5
208.20018	0.8
217.38103	1.0
219.13919	34.6
220.14224	2.8
221.44278	0.8
235.42287	0.9
337.21622	3.4
358.39081	0.9
384.99469	0.8
388.52893	0.8
395.25928	96.0
396.26300	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	396.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
57.03441	1.3
59.01381	10.8
65.99834	1.2
68.77184	0.6
69.03449	2.3
71.01019	1.0
71.01392	15.3
72.01721	1.0
73.02946	6.9
76.01960	0.5
83.01389	2.6
83.51818	0.6
85.02960	7.4
87.00890	1.6
89.02464	2.9
94.02991	5.3
95.01428	1.4
95.31719	0.8
97.02937	1.0
98.21827	1.6
99.00877	2.2
101.02445	11.5
102.02777	1.5
107.01397	1.8
109.01671	0.7
109.02962	1.1
113.02439	5.6
115.04025	0.7
120.00910	4.2
121.01678	0.7
122.02474	1.1
124.04044	2.1
125.02437	2.5
129.01982	0.8
131.03467	0.7
133.01711	1.5
134.02458	1.3
135.00891	3.1
146.16649	0.6
148.00423	45.4
149.00812	1.9
152.02280	0.9
152.03542	17.0
157.03003	0.7
159.03024	0.9
161.04564	5.4
165.00682	39.8
166.01070	1.7
173.02458	0.7
177.50409	0.6
180.03035	59.5
181.03442	3.3
184.04031	2.7
185.02461	1.8
188.39444	0.6
201.01875	1.3
211.02675	0.7
212.03542	7.0
213.02016	5.3
228.03008	1.6
229.01472	4.4
240.03050	6.4
241.01425	1.5
256.02554	2.9
257.03241	1.5
263.15015	18.1
264.15366	6.4
284.02014	42.0
285.02441	4.1
288.05151	0.8
298.03555	1.4
316.04630	100.0
317.05017	10.4
373.77505	0.7
395.19156	13.2
396.00085	0.7
396.19730	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	396.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85682	0.4
59.01376	4.4
61.98833	0.7
65.99850	1.6
69.20230	3.0
71.01395	1.8
85.02956	0.9
89.02450	1.3
92.05067	2.9
94.37704	0.4
98.22610	0.9
101.02443	1.2
102.03538	0.5
113.02455	1.0
118.03000	100.0
119.03351	4.2
121.01744	1.1
136.04054	1.4
144.21045	0.4
148.04102	1.1
149.01205	9.1
149.02382	1.2
150.01538	0.5
172.07727	0.6
181.03853	1.6
192.21559	0.6
197.04836	0.5
198.03250	1.9
206.80215	0.5
208.04158	0.5
213.05652	0.7
224.03481	0.7
225.04333	15.1
226.02773	4.4
226.04761	0.9
235.23019	0.4
240.06583	3.0
241.03859	0.6
265.09280	1.0
269.03314	19.1
270.03693	1.4
284.05688	25.8
285.05972	1.6
301.05994	1.6
306.11166	0.7
316.08270	63.7
317.08618	7.0
396.04065	5.2
396.12900	3.7
397.04248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
63.41173	0.5
64.52727	0.5
64.66205	0.5
65.99848	0.8
79.95303	0.8
79.95744	10.4
80.96507	1.3
85.02979	0.8
96.95995	0.6
97.02909	1.1
111.00906	1.0
112.88270	0.5
118.03005	22.6
119.03336	0.8
120.00934	1.2
121.01708	2.0
136.04008	0.6
149.00041	0.9
149.01201	15.0
150.01640	0.8
164.03639	1.0
165.04344	1.1
180.03003	1.0
181.01428	1.1
181.03845	7.8
181.05350	0.9
182.03761	0.7
195.05351	1.3
196.04007	2.0
196.06140	10.2
198.03189	3.2
202.05125	1.1
207.01709	1.4
210.05751	0.6
212.03487	1.9
217.07385	2.5
222.04092	1.5
224.03543	8.0
225.04295	8.0
226.02736	14.7
227.03014	0.9
232.09764	2.0
240.06544	1.0
241.03828	1.9
242.04236	0.5
243.99249	1.6
246.37813	0.5
254.04607	0.6
255.05339	1.6
269.03302	100.0
270.03613	8.1
276.01837	23.3
277.02240	1.5
280.08249	0.8
283.04886	6.7
284.05667	11.7
285.06195	1.5
290.10345	0.5
298.07208	6.9
299.07614	0.6
301.05936	4.6
316.08282	67.2
317.08652	6.8
349.78931	0.6
358.68649	0.6
396.03970	46.2
397.04257	5.9
397.17041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95585	1.5
55.63839	1.5
59.01389	14.2
61.48961	1.4
67.01879	2.0
69.03458	8.1
71.01389	4.1
71.42225	1.8
73.02954	1.6
85.02969	2.9
87.00889	6.9
96.96014	1.4
97.02960	36.6
102.03497	1.7
105.17825	1.5
122.02554	2.6
136.04062	5.0
141.01944	10.2
147.03281	2.8
148.00412	5.6
148.04019	3.0
149.01158	4.6
162.05615	15.1
164.03531	12.9
174.05655	11.1
176.03616	2.4
177.00931	1.8
179.03453	2.7
179.05901	3.6
180.03052	21.1
184.04086	2.1
185.68085	1.5
187.02805	2.3
189.04358	2.3
190.01457	3.1
191.05939	4.7
191.99464	5.1
194.05833	1.9
195.05379	33.7
196.06084	6.8
201.04388	1.9
202.05106	51.9
203.05452	3.9
205.03796	7.2
206.04572	9.5
206.08298	3.0
207.01741	53.0
207.05276	4.6
208.02301	1.9
210.07716	13.1
216.06500	2.0
217.07454	100.0
218.07790	5.6
220.02690	1.9
220.06128	4.4
222.04094	56.6
222.07693	5.5
223.04456	2.4
223.72334	1.6
229.03758	2.1
232.09799	63.8
233.10155	5.9
244.06134	2.8
246.04044	3.7
246.07887	2.4
258.07724	2.3
260.05649	7.1
261.06372	2.7
264.08826	8.1
265.05975	6.4
266.06915	1.9
275.08112	6.2
276.08841	11.0
280.08292	34.6
281.08569	1.5
290.10376	9.3
292.08231	5.0
293.08987	2.1
305.05286	2.3
308.11414	12.7
320.07706	17.1
352.10385	23.1
353.10941	3.5
397.17212	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	396.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.6
56.71364	3.0
57.03452	6.8
59.01381	86.9
60.99372	3.1
61.98850	18.5
67.22478	3.1
71.01384	97.0
73.02955	39.1
80.91670	8.4
83.01380	15.9
85.02952	36.6
85.51736	3.3
87.00886	4.5
89.02455	46.2
93.03445	4.6
95.01398	6.8
97.02946	8.6
99.00883	13.4
101.02451	86.5
111.00816	3.4
113.02458	35.7
119.03492	11.1
123.04546	7.7
125.02460	7.0
131.03525	7.3
133.06584	11.7
134.32169	3.1
135.04527	11.2
143.03473	9.9
145.06612	10.5
149.04579	6.6
153.05595	15.6
159.02995	5.2
161.04568	45.3
173.06088	19.8
189.05547	4.0
190.05945	4.2
191.07162	37.5
193.09889	3.0
194.80267	3.3
197.04657	5.2
221.10239	6.6
233.06662	4.2
234.07707	17.1
235.04495	5.6
251.11264	3.3
265.12921	78.2
271.64307	2.7
315.10931	17.7
329.82822	3.3
337.08868	20.9
396.16043	53.4
397.12094	4.9
397.17130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51089	1.3
59.01386	91.9
61.98828	3.9
65.69032	1.4
69.03454	1.4
71.01390	58.4
71.40778	1.4
72.99330	1.6
73.02947	13.2
75.00864	2.3
76.41068	1.3
78.91882	1.4
80.91688	27.3
82.95423	4.9
83.01391	5.8
85.02964	18.3
87.00884	3.8
89.02452	48.7
93.49241	1.4
95.01389	4.3
97.02971	3.2
99.00902	7.7
101.01041	1.7
101.02453	45.6
102.02821	2.0
111.00948	1.7
112.98821	1.5
113.02464	23.4
115.92079	1.6
119.03519	16.0
121.02959	1.7
123.04532	18.4
125.02465	2.1
131.03552	1.7
135.03508	2.8
135.04538	52.8
141.00444	2.9
149.04579	5.1
150.03214	2.5
152.04800	1.8
153.05586	48.3
159.02998	2.4
161.04593	13.8
163.02521	1.6
172.48540	1.4
173.06062	3.3
175.03870	2.5
191.07123	3.6
193.03482	8.3
193.05023	2.3
197.04547	1.5
205.01195	4.9
207.02747	14.3
217.04913	3.0
219.05128	3.6
235.04366	13.9
245.04321	2.8
263.04077	2.5
265.12927	27.3
266.13254	2.6
315.10864	84.2
316.11157	7.5
337.08746	100.0
338.08945	10.4
381.07993	2.1
397.10138	4.7
397.17148	46.0
398.10141	2.3
398.17401	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	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32003	1.8
55.01884	4.0
59.01385	100.0
69.03458	5.0
71.01385	73.0
72.99306	3.8
73.02954	15.7
81.03460	3.8
83.01395	10.3
83.05100	1.7
85.02968	17.5
86.00110	2.1
87.00894	13.8
89.02452	58.0
90.50224	2.0
91.82892	1.6
95.01405	3.7
97.02968	15.6
98.22701	3.5
99.00876	4.2
101.02454	60.3
111.04514	3.5
113.02456	25.6
119.03522	20.2
125.02472	16.8
131.03523	3.1
133.05048	3.8
143.03517	7.2
149.04575	2.1
155.24773	1.7
161.04634	11.0
169.05066	2.1
179.05600	3.9
221.06689	3.0
229.13405	2.0
235.08238	20.5
249.85803	1.9
250.28297	1.9
263.07675	1.9
397.08710	3.2
397.13577	54.5
398.13879	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26091	1.3
55.01882	9.9
56.86053	1.0
57.03455	8.5
59.01381	71.4
69.03463	2.0
70.28121	2.2
71.01388	94.8
72.99303	1.6
73.02950	35.9
75.00887	1.0
81.80326	1.0
83.01392	18.0
84.02169	1.0
85.02960	46.0
86.03320	1.8
87.00886	4.1
89.01934	1.9
89.02445	20.6
95.01400	5.7
97.02955	3.3
99.00878	12.7
101.02448	100.0
101.09956	1.0
102.02818	1.7
111.00881	2.2
113.02459	42.2
115.03972	1.1
119.03539	5.7
125.02465	5.0
129.01985	1.5
131.03535	1.0
143.03499	5.9
147.06990	1.1
159.02977	8.8
161.04570	46.0
162.04884	1.1
164.24371	1.0
179.05585	1.1
194.73428	1.1
214.68059	1.1
231.53157	1.2
235.11882	61.3
236.12216	3.5
263.89908	1.3
265.12912	8.1
337.06332	1.2
397.17136	49.2
398.17667	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.6
57.03454	7.5
57.78402	1.0
59.01382	72.1
60.01723	1.3
69.03463	2.5
70.28086	2.7
71.01385	97.3
72.01733	2.6
72.99315	2.6
73.02951	36.4
75.00830	1.2
76.41122	1.0
83.01390	19.2
85.02957	46.5
86.03314	1.1
87.00880	3.3
89.02457	16.1
94.21935	1.0
95.01389	7.0
97.02956	3.7
99.00885	13.2
101.02446	100.0
102.02802	2.5
111.00911	1.4
113.02456	42.3
114.02814	1.6
119.03502	6.0
125.02455	4.5
129.01990	1.3
130.58952	1.4
131.03542	1.3
143.03502	5.9
149.04518	1.6
159.03017	9.6
161.04565	40.7
162.04913	2.4
167.44115	1.0
179.05612	2.1
196.42566	1.0
233.06699	2.0
235.11870	55.5
236.12256	3.9
263.07861	1.2
265.12842	6.6
369.09503	1.2
383.33951	1.2
395.68521	1.1
397.17166	46.5
398.17407	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	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.1
57.03447	5.2
58.46756	0.8
59.01383	57.7
61.98839	2.5
69.03455	1.3
69.71345	2.7
71.01386	73.8
72.01703	0.9
72.99313	1.6
73.02950	37.8
75.00871	2.7
83.01389	10.6
85.02956	32.3
86.03307	0.9
86.75159	0.9
87.00883	4.7
89.02452	26.5
90.84374	0.8
90.94227	0.8
93.03456	1.5
95.01371	3.5
97.02953	4.0
99.00880	14.7
100.01261	0.9
101.02454	63.3
102.02777	1.3
103.07670	2.2
111.00886	3.7
113.02455	27.8
114.02761	1.2
115.04031	2.4
119.03515	3.7
125.02444	4.8
129.01941	1.9
131.03525	4.6
133.06596	1.7
135.04501	1.2
141.01964	0.9
143.03526	4.2
145.06627	1.9
149.04558	6.1
159.03006	6.7
161.04565	42.0
162.04900	1.6
169.24319	0.8
173.06053	1.0
191.05589	2.7
191.07185	5.2
233.06801	4.6
250.63019	1.0
265.12930	83.9
266.13284	5.1
270.44888	1.0
293.08859	2.8
299.18372	0.9
397.17166	100.0
398.17639	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	397.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62095	1.0
53.25780	1.1
55.01877	9.5
57.03443	5.7
59.01384	91.6
61.98841	1.5
70.99749	2.1
71.01389	76.2
72.08087	1.1
72.99303	3.1
73.02954	31.4
75.00875	4.1
75.56213	0.9
81.03456	1.2
83.01395	22.2
85.02959	41.3
86.03271	1.4
87.00877	4.9
89.02445	25.0
90.54293	1.0
93.03494	1.4
95.01384	6.4
97.02953	3.0
99.00902	8.8
99.04505	1.9
101.02452	100.0
102.02777	2.9
102.28534	1.1
111.00862	1.5
113.01718	2.0
113.02464	32.0
114.02756	1.4
117.03410	1.6
119.03522	9.7
119.04993	1.7
125.02476	2.0
129.01956	3.3
131.03442	1.7
133.02881	1.1
133.06636	7.2
134.03767	1.8
135.04559	6.1
143.03500	5.0
145.02974	4.2
145.06569	1.6
147.04477	2.5
147.88647	1.1
149.06068	1.0
159.02979	4.9
160.01639	2.5
161.04570	27.0
162.04959	1.7
163.03992	1.5
163.07672	1.6
170.09567	1.4
173.06055	4.1
175.04025	3.8
176.04817	1.2
179.05605	3.2
191.07132	6.9
193.05132	1.8
217.05092	2.4
217.08728	1.4
235.06166	4.2
235.11877	61.8
236.09273	9.1
236.12135	3.4
265.12860	3.9
277.31775	1.0
303.07269	3.6
308.56271	1.1
337.18552	3.6
338.18820	1.6
353.12411	2.5
372.03836	1.4
397.11609	6.6
397.17087	29.1
398.17731	2.1
408.74942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58699	0.7
55.86093	0.8
57.17251	0.8
59.01393	4.3
69.03477	1.1
69.24000	4.4
71.01394	1.0
71.05025	1.3
80.02702	2.2
81.03454	2.2
83.01429	0.8
83.05027	6.6
84.02173	1.2
91.04022	1.2
95.05026	1.8
97.02979	1.1
97.06607	5.5
99.04538	1.0
107.05048	22.4
109.06600	2.2
110.03748	2.1
113.06118	0.9
123.04553	2.2
123.08213	2.2
125.02462	3.5
125.06095	15.7
125.09752	9.9
126.06561	0.9
135.08171	6.6
136.08528	0.9
137.06131	1.1
149.09790	0.9
149.26987	0.8
153.09227	19.6
154.09540	1.2
163.11281	7.0
165.12823	3.1
174.05602	2.5
176.08430	2.4
178.10030	1.7
179.10782	1.2
181.12349	1.5
185.11861	4.7
187.09824	1.6
191.10786	7.6
197.11847	11.8
207.10266	6.3
209.11845	100.0
210.12198	5.9
217.12367	2.9
225.11324	3.7
227.12943	1.0
230.08188	9.0
236.10573	1.7
243.17604	2.7
245.15317	1.1
250.04915	0.9
253.10721	1.7
259.14130	1.0
261.18658	3.9
263.16333	1.4
268.39920	0.8
277.18088	3.8
279.19717	5.7
279.22272	1.0
287.16565	15.7
288.16937	2.1
295.19293	1.4
299.15054	1.6
305.17606	93.0
306.17947	9.5
310.13968	1.0
323.18683	13.8
324.19067	0.9
327.14505	1.7
328.15210	1.1
366.09854	7.4
379.21320	36.8
380.21732	4.6
397.22272	18.0
398.22516	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	397.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92813	14.1
59.01382	51.5
69.30095	100.0
71.59074	14.4
78.32239	17.9
85.02952	29.5
91.34194	17.0
96.96008	20.9
97.08268	17.7
381.28452	24.6
397.17221	37.4
397.27277	29.8
398.04919	35.3
415.78488	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	398.019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46787	0.3
57.68633	0.3
59.01385	3.9
65.99850	0.4
69.03455	0.5
69.14627	2.4
71.01376	1.1
71.43988	0.3
73.02928	0.8
75.00857	0.4
78.95892	0.4
79.01926	0.4
80.96502	1.1
83.01387	0.4
85.02937	0.9
87.00848	0.4
89.02408	0.4
93.03481	0.6
94.02984	0.4
95.01395	0.5
98.01050	0.3
98.97712	0.4
101.02431	1.1
102.21762	0.3
105.34827	0.4
107.01373	1.6
109.02953	0.5
110.97607	0.5
111.00897	0.5
113.02415	0.5
116.37234	0.4
122.02490	4.5
123.00892	0.7
125.02380	0.7
131.25142	0.3
133.01680	0.6
134.02501	6.4
134.03577	0.7
135.00870	0.9
148.00395	1.3
149.00992	0.5
150.00784	0.9
150.01981	15.2
160.01695	2.1
162.01938	0.4
165.00632	1.1
168.04501	0.6
170.06078	0.5
171.04527	0.5
171.10220	0.5
172.07101	0.4
175.04007	2.8
180.03029	1.5
182.04640	2.7
186.05629	3.5
191.02080	0.4
193.05042	0.5
196.04041	0.8
197.04794	0.4
198.05621	0.6
212.03496	0.8
213.01958	0.4
213.04269	1.8
214.05128	6.3
215.03513	0.5
216.02982	0.7
224.03511	1.6
225.04297	3.4
229.01477	0.4
240.02988	1.2
241.03812	12.8
242.04596	48.2
243.02908	1.4
243.05055	3.0
258.04047	0.5
284.02072	1.5
286.03586	100.0
287.03931	7.4
316.04651	2.1
318.06192	65.0
319.06552	5.6
398.01926	4.4
399.12808	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	398.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54490	0.3
59.01372	0.8
65.99845	0.3
69.42079	1.6
79.01920	0.4
94.02989	0.5
101.03986	4.8
119.04992	0.9
121.01720	0.7
122.02493	5.7
123.03281	0.5
128.48831	0.3
129.03493	1.8
131.05072	0.4
145.02962	1.6
146.03751	0.3
147.04482	1.0
148.00458	2.3
149.01190	2.8
150.01987	2.4
150.87637	0.4
151.02715	1.0
156.04565	0.7
157.02959	22.6
158.03282	1.0
160.01614	0.9
163.04021	4.5
164.03493	0.6
165.04294	0.7
166.01462	5.1
171.03267	2.5
172.04056	6.0
173.02451	7.6
174.03107	0.5
174.47081	0.3
175.04018	2.9
181.03825	12.4
182.04391	0.7
196.06148	6.4
197.06357	0.4
199.02733	3.2
200.03537	100.0
201.01932	9.6
201.03879	5.3
202.02403	0.7
207.01715	2.3
208.02432	0.6
219.02982	1.2
222.03960	0.6
236.04816	0.4
238.44020	0.3
250.05139	1.0
251.03545	0.8
251.05861	0.6
252.04247	1.3
263.05905	0.4
278.04639	3.7
279.02948	0.5
279.05435	5.2
280.03760	5.8
281.04358	0.4
291.05356	0.8
294.03928	0.8
306.04291	0.8
307.05023	4.5
308.03156	7.5
308.06146	0.4
309.03622	0.7
322.03491	1.9
322.07285	2.1
323.05484	4.4
324.05222	0.9
336.01419	0.4
351.03854	7.9
352.04214	0.9
354.06143	1.4
365.05307	2.6
366.06189	84.0
367.06540	10.2
380.07913	2.3
383.06503	1.0
398.08829	18.2
399.09003	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1247
Annotation	Cathaformine
Peak:m/z	Relative Intensity
52.71261	1.4
54.33209	1.4
59.01378	2.9
60.23341	1.5
69.07330	12.7
85.31299	1.6
93.13250	1.3
94.78902	1.5
104.04589	1.4
116.92915	1.6
127.07650	2.3
133.01743	3.3
134.02457	2.3
134.03590	1.5
134.98560	1.5
140.42107	1.4
146.02420	1.5
158.02472	1.5
159.03217	5.6
159.10745	1.4
162.01933	5.9
166.05069	2.2
174.05609	30.0
175.05946	2.1
186.05573	15.7
187.06340	5.8
188.04791	1.7
197.11865	1.7
202.08710	3.8
209.11821	5.8
210.12198	3.5
225.04237	3.7
230.08218	100.0
231.08545	6.0
279.08841	2.1
281.03418	1.8
293.06985	3.9
294.11340	2.0
305.17529	2.7
306.18152	3.8
307.18881	1.7
322.07062	3.6
322.10718	3.0
325.20230	2.2
338.10309	2.2
366.09848	98.5
367.10165	11.2
398.12442	18.7
399.12662	2.4
424.78131	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	399.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	100.0
59.01385	65.5
61.98814	2.8
63.49751	2.1
66.71275	2.5
70.62875	2.5
71.01389	18.0
73.02948	7.6
73.81129	2.1
74.02462	5.2
83.01397	3.5
85.02953	12.2
87.00877	9.9
89.02443	7.9
93.03458	2.5
99.04529	67.7
101.02440	31.3
111.00883	6.8
113.02444	8.1
117.50906	2.6
119.03464	5.5
123.04507	3.3
125.02463	34.3
132.02164	9.7
134.03749	8.9
137.02454	2.6
143.03464	3.0
145.02905	3.1
152.99643	3.2
160.01677	36.4
161.04541	8.0
165.05576	3.9
175.00398	3.6
175.02521	2.7
175.04016	44.2
177.01917	2.7
190.02707	5.1
192.00674	2.4
193.05124	12.0
205.05051	7.2
224.04776	4.2
310.10800	6.4
325.13077	11.6
340.15408	10.7
357.15485	3.4
363.16690	5.7
399.13010	37.3
399.20786	3.8
399.25790	5.0
400.13156	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
59.01382	21.5
69.51150	2.8
69.51549	1.6
71.01395	7.2
73.02950	3.4
76.46655	0.7
78.94669	0.7
78.95892	1.0
83.01396	2.7
85.02948	3.5
87.00877	1.7
88.08061	0.7
89.02412	1.8
91.23077	0.7
101.02439	5.9
101.35463	0.6
111.00893	3.0
113.02461	2.7
119.05067	1.0
132.02187	15.9
133.02945	3.0
134.03754	15.9
147.04495	0.9
149.06111	2.8
152.99580	1.3
160.01674	81.9
161.02026	4.3
161.04553	1.6
162.03192	1.5
175.04021	100.0
176.04359	6.4
177.01981	1.1
177.05612	2.9
178.02722	0.8
179.03514	0.9
193.05052	16.2
223.16251	0.7
224.04794	11.4
239.07161	1.9
240.90421	0.8
252.04285	9.8
267.06686	6.3
282.11496	4.8
310.10873	35.8
311.11749	1.2
325.13181	36.2
326.13998	3.5
337.11392	0.8
340.15543	53.2
384.10703	1.4
399.12952	64.0
400.13242	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	399.1297
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01870	0.5
57.03446	0.9
59.01383	4.6
61.98829	0.6
64.21211	0.4
69.11455	2.9
71.01385	5.0
73.02944	2.4
75.00864	0.6
83.01389	1.5
85.02955	3.4
87.00878	0.7
89.02465	0.6
95.01432	0.5
98.02499	0.5
99.00877	0.8
101.02441	4.2
105.03467	0.7
111.00890	0.4
113.02441	2.3
117.03482	0.4
132.02173	16.6
133.02974	4.6
134.03755	13.2
135.04431	0.4
137.02437	0.8
142.38492	0.4
149.06027	2.3
159.02863	0.5
160.01666	82.3
161.01999	3.7
161.04587	1.0
162.03291	0.4
175.04013	100.0
176.04349	4.1
177.01921	1.0
177.05579	0.5
178.02693	0.6
179.03491	1.2
193.05067	19.9
194.05405	0.7
210.50075	0.4
223.08282	0.8
365.50870	0.4
384.10684	1.8
399.12979	66.0
400.13324	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	399.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21923	0.3
54.96961	0.3
55.01883	0.6
55.62057	0.3
57.03445	1.1
59.01386	6.8
61.98824	0.4
71.01021	0.5
71.01391	6.7
72.28516	0.3
73.02950	2.3
75.00870	0.6
78.95903	0.7
80.39683	0.3
83.01402	1.3
85.02960	4.2
87.00886	1.0
89.02456	1.2
89.46443	0.3
95.01397	0.5
98.02465	1.7
99.00903	1.0
99.02789	0.3
101.02451	6.0
105.03487	0.6
111.00901	1.0
113.02460	2.3
117.03493	0.8
119.03528	0.4
119.05053	0.5
121.03003	0.3
123.04503	0.4
128.04985	0.3
130.75366	0.3
132.02187	18.6
133.02983	5.8
134.03758	14.3
135.04533	0.5
137.02457	1.1
139.03981	0.4
143.03481	0.4
149.06078	1.8
152.99602	1.1
160.01674	85.4
161.02003	4.8
161.04587	0.9
162.03259	0.6
175.04021	100.0
176.04350	5.8
177.01949	0.7
177.05516	1.0
178.02715	1.2
179.03505	1.4
191.05582	0.4
193.05080	17.7
194.05411	0.9
196.87688	0.3
221.04506	0.4
223.08224	0.9
291.82367	0.3
384.10684	1.2
399.12979	56.2
400.13257	6.2
405.49207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.7
57.03459	1.7
57.35964	0.6
59.01388	26.2
61.92073	0.6
62.10312	0.5
62.10682	0.6
62.19736	0.7
69.23654	3.1
71.01391	23.4
73.02958	9.5
75.00901	0.6
83.01398	4.9
85.02963	11.9
87.00886	2.1
89.02449	6.2
95.01408	2.7
95.05037	0.6
99.00911	3.2
101.02459	24.0
111.00894	1.0
113.02466	9.2
117.03444	0.6
119.03512	2.0
121.02965	6.4
129.02039	1.0
132.02194	17.0
133.03011	5.0
134.03770	14.7
135.02829	1.3
135.04410	0.5
143.03532	1.8
146.19926	0.6
149.04442	0.7
149.06090	1.8
159.03017	3.1
160.01683	79.6
161.02017	3.9
161.04585	15.6
162.05057	0.6
166.14163	0.8
171.10341	0.8
175.04025	100.0
176.04395	5.9
178.02769	1.1
179.01743	1.3
179.03490	0.9
193.03322	1.2
193.05078	19.4
194.05431	1.3
251.11369	34.9
251.93732	0.8
252.11749	1.8
301.26761	0.7
384.10660	1.4
399.12994	66.5
400.13260	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31386	0.5
55.01884	1.0
59.01382	6.7
69.51134	1.6
71.01388	6.6
72.99310	0.5
73.02952	3.7
83.01397	1.8
85.02962	3.5
87.00886	1.0
89.02456	0.7
95.01425	0.7
98.22598	0.5
99.00871	0.9
101.02459	6.6
105.03472	1.0
109.98422	0.4
111.00888	1.6
113.02492	2.8
113.03123	0.4
117.03426	0.5
117.10419	0.5
132.02184	17.7
133.03009	5.1
134.03755	14.7
135.04236	0.4
137.02473	0.7
149.06081	2.8
160.01672	85.0
161.01988	4.2
161.04565	1.2
171.10252	0.9
175.04018	100.0
176.04350	5.1
177.01927	1.1
178.02698	1.2
179.03577	1.1
193.05067	17.7
194.05385	0.9
223.08235	0.6
238.32848	0.4
243.04910	0.8
251.11337	1.6
267.72885	0.4
273.45621	0.4
287.03876	1.2
319.06433	0.9
384.10648	1.4
399.12967	63.6
400.13379	7.2
405.19443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.32680	0.5
57.03453	36.4
59.01385	18.9
67.01869	0.5
69.68226	2.2
71.01385	6.1
73.02961	3.0
83.01406	1.2
85.02978	2.9
93.03466	100.0
94.03806	2.3
98.22663	1.0
99.00912	0.8
99.04527	25.5
100.04860	1.2
101.02460	11.4
111.00880	0.9
113.02465	2.7
121.03014	0.6
121.70259	0.7
125.02457	14.1
126.02793	0.7
129.02171	0.5
129.10382	0.8
133.38602	0.6
143.03526	1.6
160.01663	2.4
161.04552	4.4
171.10316	0.8
175.04002	1.7
177.05605	0.7
190.06007	0.6
202.32207	0.5
203.05658	1.3
242.04411	1.0
243.05002	1.4
243.08714	1.3
251.11270	3.1
255.08760	2.4
278.46112	0.7
286.03467	1.1
287.03879	2.6
297.09720	1.8
298.71973	0.7
300.46982	0.6
304.15741	0.6
319.06378	2.0
399.12833	3.1
399.20956	0.6
399.26141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
56.02242	0.9
57.03450	1.5
57.41045	0.8
59.01383	69.1
69.57084	1.7
69.57460	2.1
71.01387	35.9
73.02940	4.9
78.54360	0.9
83.01392	2.9
83.05028	5.1
83.27011	0.9
85.02953	12.0
87.00922	2.1
87.04524	1.5
89.02453	26.6
89.06095	2.3
90.50465	0.9
91.05566	1.6
93.07116	3.6
93.89661	0.9
95.01398	2.8
96.96017	2.2
99.00886	1.4
101.02447	22.2
111.00882	6.7
113.02466	12.7
119.03526	10.2
119.05005	1.9
121.02964	3.7
132.02177	3.7
133.02963	1.6
133.10262	5.0
134.03735	3.6
135.02855	1.4
145.06630	6.6
157.10265	2.0
158.07272	1.7
159.08154	5.3
160.01666	21.0
160.08954	43.5
161.02029	1.6
161.04585	5.7
161.09309	2.8
171.10309	1.8
173.09738	9.2
175.04025	22.3
175.11302	84.0
176.04417	1.5
176.11624	3.5
179.05737	1.4
193.05093	4.7
219.10286	100.0
220.10652	6.8
237.07675	2.8
251.11397	18.6
252.11716	1.0
287.03876	1.6
299.05084	1.0
399.12741	10.6
399.16623	42.6
400.17242	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	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93024	0.6
57.03454	1.2
58.00591	0.7
59.01377	3.0
69.35217	2.9
69.35625	1.0
71.01389	4.2
71.05018	2.0
73.02953	1.8
78.67959	0.7
80.02673	1.6
81.03489	1.3
83.05030	4.3
84.02160	2.8
85.02968	2.6
89.02441	1.2
91.03999	1.4
95.05043	1.6
96.96011	2.0
97.02949	0.7
97.06613	3.4
99.04522	2.2
99.08167	4.3
108.02205	0.7
109.06568	1.4
111.08163	1.3
112.05314	2.3
113.50616	0.7
115.07639	2.9
123.04497	1.1
123.08148	1.1
125.02416	0.9
125.06107	0.9
125.09733	8.0
127.07661	16.0
133.01717	0.9
134.02483	3.7
135.08142	3.8
137.09709	1.5
138.06850	0.9
139.07605	3.6
141.12849	1.1
151.00363	1.5
153.09218	37.3
154.09549	1.9
155.10773	3.2
159.04507	0.7
163.11299	5.7
165.12827	2.0
167.58293	0.7
171.04535	0.9
171.10295	11.4
176.68781	0.7
178.10054	4.3
179.10757	1.2
181.08798	0.9
181.12389	0.8
185.11824	17.3
186.12202	1.2
191.10809	3.9
191.14493	1.0
193.12381	0.7
197.11824	10.8
207.10274	1.2
209.11841	61.0
210.12132	6.3
211.13318	1.1
216.48701	0.7
225.11342	0.9
227.03497	10.4
227.12856	1.0
236.10573	1.9
237.11273	1.5
238.11942	3.4
239.16483	3.2
241.03995	0.8
245.19147	3.0
251.16508	2.3
254.98535	0.7
255.03012	15.5
256.03445	1.6
256.13199	1.4
263.20197	0.9
265.18127	2.4
269.04602	1.6
279.19626	1.2
281.17743	0.7
281.21158	1.3
283.02356	1.7
284.03275	8.5
285.04062	21.6
286.04404	1.9
289.18106	15.3
290.18451	1.4
297.04141	0.8
297.20737	2.5
300.05225	2.5
307.19159	100.0
308.19452	9.3
312.15829	11.5
313.16190	1.2
325.20215	63.6
326.20572	7.0
332.07922	3.3
340.03384	0.8
344.72699	0.9
381.22760	11.0
382.23175	1.2
399.07166	12.5
399.18402	16.7
399.23828	8.7
400.07135	1.6
400.18869	2.9
400.24008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03426	2.0
59.01380	4.4
60.99606	1.4
61.54129	1.4
70.76402	1.4
71.01394	4.7
73.02957	2.6
79.95786	1.7
80.36306	1.4
81.54983	1.7
83.01376	1.9
83.05041	4.7
84.02170	2.3
85.02962	4.0
91.04003	1.9
93.03489	2.3
95.05054	2.9
96.96033	6.2
97.06564	2.2
99.04526	2.8
99.08190	1.9
102.96614	1.6
107.01369	1.7
112.05297	2.1
125.09733	8.7
127.07674	15.7
133.01714	2.2
134.02495	4.8
135.08182	2.7
137.09714	2.6
139.07642	2.1
151.00377	3.4
153.09235	34.5
155.10730	2.5
163.11313	4.1
165.12842	3.4
171.10278	8.1
175.03955	1.8
178.09995	5.2
185.11859	15.3
191.10774	3.0
197.11845	11.4
209.11858	61.7
210.12219	3.3
227.03537	19.9
231.08391	2.4
236.10513	1.7
238.11987	2.9
239.16478	2.5
245.19112	3.9
251.16557	1.7
253.18153	2.2
255.03026	24.0
256.03595	2.9
269.04480	3.7
271.16901	1.6
283.02499	4.2
284.03290	15.4
285.04053	43.5
286.04260	3.6
289.18134	14.0
290.18365	2.4
297.04266	1.7
307.19183	100.0
308.19528	10.2
310.36920	1.5
312.15833	12.2
325.20248	66.7
326.20444	7.3
332.07797	4.3
381.22675	12.1
399.07321	21.8
399.18387	43.1
399.23761	8.1
400.07193	3.4
400.18851	5.8
410.92148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.91417	0.4
57.03460	0.6
59.01372	1.8
61.32486	0.4
71.01392	1.1
71.05029	0.5
71.41847	0.6
73.02940	1.4
74.38732	0.5
78.25320	0.5
80.02664	1.7
81.03452	1.7
83.01378	0.6
83.05032	6.7
84.02184	1.0
91.04017	1.5
95.05025	1.4
97.02970	0.5
97.06585	1.4
99.08164	0.8
100.74102	0.5
109.06617	0.8
111.08144	0.5
112.05334	1.1
115.07653	5.9
118.89994	0.9
121.02990	0.8
125.06065	1.0
125.09712	2.7
127.11280	1.4
135.08154	1.6
137.09743	1.8
147.11815	0.6
155.10802	7.0
163.11304	8.0
164.11522	0.8
165.12837	3.1
171.10291	0.7
177.50029	0.5
178.10013	6.0
179.10608	0.9
181.12379	1.1
185.11847	1.1
191.10745	4.9
197.11966	0.7
207.10306	3.5
209.11847	100.0
210.12219	6.2
225.11366	1.7
227.12944	0.8
236.10574	1.2
245.19115	1.4
253.18102	1.5
260.79980	0.5
263.20224	1.4
265.18185	0.8
279.19711	2.7
280.19989	0.5
281.21243	1.9
289.18097	8.6
297.20782	0.9
299.15036	1.4
307.19174	98.7
308.16153	0.9
308.19531	10.4
325.20227	10.5
326.20544	1.4
381.22858	31.3
382.23172	4.2
399.23846	10.4
400.24045	1.2
400.92587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28834	6.3
57.03460	10.1
58.74905	6.6
59.01387	100.0
61.11448	5.9
69.07100	53.2
70.85302	6.8
71.01383	53.2
73.02950	17.1
73.89407	6.8
82.02975	8.9
85.02971	20.1
87.00913	8.1
89.02440	38.0
94.27206	7.0
101.02463	47.2
113.02461	23.4
119.03516	25.1
161.02019	9.2
161.04555	52.7
167.49245	6.6
176.04340	8.9
176.20992	6.7
177.09282	13.8
179.05612	9.7
181.01425	18.6
219.10043	7.7
224.04829	16.2
252.04234	10.8
299.06219	7.1
310.10828	25.5
325.13144	20.7
326.13611	8.2
340.15424	46.6
357.15729	34.2
392.72937	8.2
400.12848	11.5
401.14908	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.62271	0.7
59.01384	44.7
66.94816	0.7
70.77242	1.3
70.77798	0.6
71.01389	25.6
71.01788	1.4
72.01720	0.8
73.02951	1.2
75.00865	0.8
82.12125	0.6
83.01417	1.2
83.44154	0.7
85.02956	4.9
87.00880	2.0
89.02448	33.4
90.02797	0.7
95.01407	1.7
98.21967	0.7
99.00896	3.2
101.02448	13.7
113.02459	10.1
117.01900	1.6
119.03506	14.3
121.02964	100.0
122.03316	4.2
131.03526	2.2
135.04529	0.9
142.91328	0.7
143.03493	2.3
149.04579	1.2
159.02985	1.1
161.04584	3.1
162.66995	0.7
179.05618	7.2
229.20746	0.7
243.09483	0.7
267.82819	0.7
279.07184	9.2
280.07690	0.9
340.39456	0.7
401.10983	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	49.7
61.98829	4.1
68.99803	1.4
69.27721	6.7
71.01393	30.3
73.02937	5.3
75.00860	2.9
83.01374	2.7
85.02969	8.5
87.00882	30.2
89.02453	31.0
95.01353	1.6
99.00870	4.0
101.02443	20.9
101.52119	1.7
107.05056	2.6
109.02941	1.7
113.02464	12.1
114.61948	1.5
119.03523	16.3
121.02971	100.0
122.03290	3.2
123.00864	2.0
131.03424	2.4
135.04541	4.4
140.23053	1.5
147.04480	1.5
149.02419	2.9
161.02397	4.9
161.04570	5.2
163.04018	8.5
164.04822	7.3
165.05453	2.6
166.02658	3.7
175.04053	2.2
176.04776	4.8
177.01959	2.9
177.05536	3.9
178.06364	8.9
178.07652	1.6
179.03476	5.8
179.05630	8.0
179.07159	15.6
181.05014	4.8
187.03986	2.0
191.03615	9.4
191.05011	1.9
191.07259	4.1
193.05029	3.6
193.08679	1.9
194.05829	4.6
203.03493	2.9
205.05040	4.7
206.05818	5.2
209.08212	3.8
221.08144	4.3
231.97536	1.7
247.02449	3.3
247.06195	1.7
249.07765	2.8
262.04831	4.9
265.07211	29.3
266.07596	3.2
273.34814	1.4
277.07138	13.7
279.07224	6.4
295.08252	33.5
296.08453	3.5
341.10733	2.7
355.10388	8.7
383.09573	1.9
401.10898	46.4
401.15509	1.6
402.11346	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16621	0.8
54.33211	0.8
55.57742	0.7
58.00571	0.9
59.01382	53.7
62.62486	1.0
70.13055	1.7
70.13386	1.0
71.01386	29.1
73.02959	1.4
75.00879	1.2
76.21142	0.9
78.38588	0.8
83.01408	1.9
85.02937	3.9
87.00896	1.4
87.03429	0.9
88.04018	1.1
89.02449	33.1
93.03468	2.1
95.01359	1.0
99.00873	4.3
101.02449	13.9
113.02462	12.0
119.03502	13.5
121.02967	100.0
122.03334	4.1
131.03517	1.0
137.02473	4.4
143.03505	3.0
149.04541	1.3
159.62485	0.7
161.04550	3.5
179.05611	6.0
279.07266	5.1
401.10721	4.0
402.11664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67070	12.5
52.93718	13.0
59.01384	93.5
68.29273	16.5
70.31968	34.0
71.01385	60.6
75.40757	17.3
89.02460	78.1
96.55500	15.8
101.02480	24.7
111.00949	14.3
113.02473	15.9
119.03509	28.8
148.67027	15.5
179.05713	32.1
185.79054	16.7
226.63652	17.3
341.10919	100.0
371.45111	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	401.1457
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.60739	0.9
55.01887	1.5
57.03453	2.9
58.00607	2.1
59.01384	100.0
60.01703	1.5
69.03466	9.7
69.06328	6.4
71.01387	90.4
72.99314	1.7
73.02953	15.2
75.00873	3.2
81.03061	0.9
81.03460	6.0
83.01385	6.7
85.02956	13.9
87.00872	3.2
89.02453	99.5
90.02835	1.1
93.03494	1.1
95.01390	2.9
96.96023	1.3
97.02959	13.5
99.00892	17.5
99.04543	3.0
101.02454	18.1
107.05039	71.5
108.05360	3.9
109.02963	1.9
111.00902	2.1
113.02462	10.3
115.04015	7.9
119.03501	2.2
125.02454	46.5
126.02764	1.9
127.04025	1.1
131.03513	12.0
143.03488	4.0
149.04578	14.1
153.01935	2.2
159.03064	1.5
161.04610	6.2
173.04599	1.1
179.03464	3.1
181.01428	13.2
190.06279	1.3
191.05650	9.2
196.03790	4.0
219.10385	1.7
221.11848	1.3
233.06685	41.4
234.06984	2.5
257.10077	1.5
269.10394	1.1
275.08151	1.0
275.11142	1.1
293.08823	36.2
294.09070	1.8
365.76776	1.3
401.14236	2.3
401.18604	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	401.1456
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01886	10.1
57.03439	7.1
57.28411	1.6
59.01386	59.2
69.03455	2.7
69.46874	5.7
70.35254	1.5
71.01390	92.9
73.02955	45.4
75.00835	2.4
81.03465	2.3
83.01398	16.7
85.02957	47.4
87.00875	6.9
89.02462	17.2
95.01401	6.0
97.02964	6.7
99.00889	18.8
101.02453	82.4
111.00876	2.3
113.02467	40.6
115.04054	4.1
125.02480	7.9
131.03502	5.1
141.52518	1.9
143.03532	7.6
149.04517	2.6
159.02986	7.1
161.04576	56.0
198.10196	1.6
233.06711	6.9
269.10330	100.0
270.10590	5.3
293.08804	4.0
341.15707	2.5
401.14569	85.9
402.14767	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	401.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71200	0.3
59.01385	1.8
62.96198	0.3
64.42075	0.3
69.37171	1.5
71.01388	0.9
79.95744	0.8
89.02436	0.5
96.96020	3.7
101.02482	0.6
101.73815	0.3
108.04656	0.3
108.36680	0.3
149.18843	0.3
169.25850	0.3
176.01175	0.5
177.01926	0.3
198.04195	0.3
201.12947	0.3
202.99232	1.6
209.07210	0.3
212.07184	1.1
225.06705	0.6
226.03903	1.5
227.08217	0.5
239.04604	1.0
239.08289	0.4
240.05322	0.9
241.06140	1.3
251.08229	0.5
253.06160	0.4
253.09775	0.4
254.06973	0.8
255.07794	2.6
256.08487	0.3
265.09711	0.5
266.06815	0.5
267.04117	2.7
267.07690	1.2
268.08383	0.5
281.05865	0.6
281.09314	1.9
282.06467	0.8
282.99481	1.0
283.07233	2.0
293.05710	0.6
294.06570	0.6
295.07404	2.1
309.08859	3.3
310.00497	0.3
310.98795	2.3
315.09885	1.3
325.08075	0.5
326.09763	0.3
337.08313	2.0
341.11646	0.4
353.99713	0.5
369.01724	0.6
369.10910	8.0
370.11276	0.9
370.91776	0.3
383.18982	1.4
386.02133	0.8
401.04568	2.8
401.13617	23.2
401.19989	100.0
402.05228	0.6
402.13940	2.7
402.20322	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	401.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04553	18.4
64.18337	16.2
77.30371	19.0
85.51955	15.5
118.02991	31.6
121.02959	100.0
198.31856	17.5
209.50157	17.7
284.05634	18.9
313.07239	37.1
341.10391	17.9
372.15347	18.7
380.93802	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	401.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.5
61.98843	1.2
67.17771	0.9
71.01414	0.9
71.05032	1.3
73.02962	4.0
83.05025	1.1
91.03998	2.5
94.90565	1.0
97.06606	3.2
98.03730	1.8
98.94011	0.8
99.08140	1.3
112.05309	2.6
113.09776	1.3
115.07649	2.3
121.02969	20.8
125.09739	2.1
127.07671	2.9
127.11301	2.6
129.09233	27.0
129.10197	1.6
130.09505	1.4
141.09248	11.4
141.12894	1.6
151.76970	0.9
155.10803	47.6
156.11142	2.5
165.61365	0.9
166.19742	0.9
171.10287	9.0
185.11845	46.3
186.12209	3.0
188.61143	1.0
197.11852	35.7
198.12196	1.7
209.11842	7.0
211.13280	1.4
227.99446	0.8
238.12125	1.1
247.20761	3.1
291.19708	22.6
292.19995	2.0
299.22287	1.4
309.20743	41.0
310.21191	5.0
313.07248	5.9
327.21790	100.0
328.22083	7.1
357.06119	1.8
383.24338	1.5
401.08765	4.4
401.19943	2.7
401.25034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75079	0.5
59.01370	1.4
61.98838	100.0
69.10904	3.4
71.01397	0.7
73.44264	0.5
83.05090	0.5
85.02981	0.6
105.72575	0.6
111.08182	0.9
121.02956	0.7
125.09776	0.8
133.03004	0.8
137.02513	0.5
167.07217	0.7
203.99678	0.7
215.12988	0.8
220.80530	0.6
285.15021	0.7
288.65637	0.6
303.16119	1.7
306.07532	0.7
311.99237	1.1
338.13086	0.5
402.04538	2.9
402.20432	9.5
402.25284	1.0
403.04178	0.7
403.20108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60435	0.3
59.01390	1.9
63.78215	0.3
65.99850	0.6
67.27248	0.3
68.67417	0.3
69.22391	2.0
71.01386	0.4
89.02454	0.4
92.01440	0.4
98.21540	0.3
98.21851	0.7
103.67525	0.3
110.38055	0.3
113.02457	0.4
115.00487	0.3
120.64848	0.3
136.99423	0.6
138.00183	1.1
149.01198	1.3
160.08281	0.3
162.99734	9.6
163.01068	0.6
164.00029	0.5
164.01678	0.5
164.98915	4.2
171.02014	2.6
172.02815	3.5
177.20018	0.3
177.99643	0.5
180.01276	0.7
189.98445	5.4
191.99411	1.3
197.11766	0.9
201.99539	0.4
205.00790	100.0
206.01108	5.6
207.01772	1.3
213.35347	0.3
214.02121	0.5
215.00479	0.7
231.10352	0.4
239.26079	0.3
241.10797	1.0
242.01570	1.4
242.99976	1.3
251.02243	0.4
252.03043	1.2
270.01129	3.6
280.02457	1.3
284.00241	5.5
285.00671	2.2
285.03757	2.3
297.98160	0.5
312.02246	0.5
313.00491	4.8
327.04486	1.1
356.01117	4.5
371.03442	29.1
372.03818	2.7
388.03229	0.5
403.06113	10.9
403.11319	0.8
403.23563	1.0
404.06259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11312	0.4
59.01374	1.0
59.22371	0.5
61.98800	0.6
75.26608	0.4
88.34058	0.4
90.80452	0.4
98.22639	0.9
113.02473	0.6
122.02473	4.1
123.03246	0.8
138.00200	3.9
146.02525	0.6
148.00404	2.1
149.01190	1.1
150.00197	0.8
151.02754	2.0
162.00281	0.5
162.99734	14.4
164.00085	0.6
164.03534	1.0
164.98900	10.2
166.01497	2.4
171.01990	4.3
172.02794	5.4
177.99699	1.2
179.00516	0.6
180.01253	1.6
180.02919	0.7
181.03804	3.3
189.98448	7.4
191.99316	0.8
205.00774	100.0
205.99216	0.6
206.01051	5.2
207.01759	3.1
208.02414	1.1
237.02985	1.1
242.99843	1.1
252.03009	1.0
257.01422	0.9
280.02444	0.8
284.00247	1.0
285.00983	3.4
312.02069	4.5
313.00522	5.8
328.02783	2.3
329.02594	0.5
356.01117	1.0
371.03436	83.4
372.03751	10.6
403.06064	27.9
403.23309	0.6
404.06122	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1252
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
50.60615	0.8
57.03461	1.0
59.01385	35.6
61.98834	21.1
71.01385	18.5
71.40978	1.1
72.39757	0.8
72.99297	3.0
81.03488	1.1
83.01380	2.6
85.02957	5.3
87.00827	1.1
89.02454	15.3
93.03476	2.1
95.01434	3.9
101.02455	11.8
108.02174	6.2
109.02952	2.2
111.00866	2.9
113.02447	6.5
115.61787	0.8
119.03527	6.9
121.02978	2.3
123.00916	13.1
123.04518	3.2
125.02389	1.0
127.00356	2.4
136.98792	1.8
137.02423	5.8
138.03230	15.1
139.00374	6.9
141.01938	0.9
149.02417	0.9
152.01178	11.9
152.04811	2.3
153.05568	3.1
161.04602	1.1
165.01930	13.0
166.02623	1.9
167.03500	22.5
179.03447	2.7
179.05588	1.4
179.07069	0.9
180.04327	7.4
193.01421	21.0
194.01765	1.4
195.06606	3.5
207.02957	2.8
208.03780	41.9
209.04137	2.5
223.06126	100.0
224.06508	5.7
230.31363	0.8
241.07263	4.5
241.14218	1.2
241.53888	0.8
342.20682	2.1
386.19327	1.3
403.12070	8.2
403.16766	2.0
403.23346	1.8
404.20737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.6
59.01385	39.9
61.98834	11.6
64.39468	0.8
67.01877	0.9
71.01387	17.7
73.02935	1.6
76.07439	0.8
81.94647	0.7
83.01407	2.8
85.02966	5.0
87.00884	1.8
89.02454	16.2
93.03467	1.3
95.01382	2.8
99.00918	1.3
101.02459	11.3
108.02188	10.5
109.02992	1.5
111.00893	2.8
113.02464	5.7
119.03515	8.4
119.04984	1.1
121.02997	1.8
121.06044	0.8
123.00899	15.6
123.04556	5.4
127.00398	3.2
131.03529	1.5
136.98799	1.5
137.02429	5.4
138.03238	12.9
139.00415	6.8
141.01936	1.0
143.03513	0.9
148.53276	0.9
151.00348	1.9
152.01170	20.5
152.04797	1.7
153.01735	1.1
153.05621	2.7
161.04640	1.5
165.01956	11.2
166.02707	2.0
167.03517	36.9
168.03917	1.8
179.03548	1.1
179.07243	0.9
179.95105	0.9
180.04344	4.4
193.01424	22.4
194.01831	1.1
195.06647	2.1
207.02914	0.9
208.03796	39.9
209.04187	2.1
223.06139	100.0
224.06464	7.8
313.88647	0.9
342.20245	1.0
367.15692	1.5
401.21811	1.3
403.11823	10.5
403.16443	4.1
403.23477	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	92.5
71.01390	34.3
73.02992	4.1
78.87450	3.1
85.02967	7.6
87.00895	18.1
89.02454	47.9
95.05042	3.3
101.02456	16.4
109.02935	5.0
110.06136	2.9
113.02457	11.0
116.97245	6.1
119.03490	19.9
123.00961	3.6
123.04536	21.7
126.55439	3.3
128.03548	3.3
130.08730	2.9
141.05547	3.4
148.90977	3.8
149.04593	3.5
150.03279	18.3
151.04024	73.4
152.04399	4.3
153.05724	3.3
161.04546	4.2
165.01932	21.1
165.30428	2.8
167.03485	8.7
171.05806	3.3
176.99394	5.7
179.05614	7.3
180.00714	5.4
180.04320	4.6
181.05078	21.4
223.06131	10.6
265.03970	3.4
268.14984	3.4
313.09381	24.4
314.09827	3.5
315.10852	4.1
330.13608	4.6
343.10455	7.0
344.15088	4.9
371.05054	12.7
373.11475	7.8
385.17773	4.0
399.92419	3.4
403.11948	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	403.14
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
54.44880	0.7
57.03452	1.5
58.00595	0.8
59.01385	9.3
61.98826	3.0
67.01901	1.5
71.01398	4.5
73.02952	2.5
74.58957	0.8
83.01407	3.1
83.05054	0.8
85.02956	2.4
87.00881	1.9
89.02468	1.4
91.17780	0.8
93.03484	1.5
95.01389	3.7
96.95985	0.8
97.30934	0.7
101.02437	2.8
107.05042	2.0
108.02199	1.2
109.02978	4.4
111.00900	3.3
112.98829	1.4
113.02477	2.3
119.05025	1.3
121.02985	1.8
123.00892	7.0
123.04506	2.3
124.01717	6.0
125.02489	3.7
127.00355	4.5
130.25479	0.8
131.05017	0.8
135.04572	5.0
136.01715	2.8
136.98825	3.1
137.02443	5.3
137.99594	0.8
138.03247	12.9
139.00388	21.4
139.04021	6.3
140.00833	0.8
141.01952	1.3
145.02979	2.5
146.03728	2.0
147.04527	17.8
148.01704	2.3
148.05325	1.7
149.02551	1.6
149.46812	1.0
151.00409	2.3
151.04041	3.8
152.01173	1.3
153.01955	3.8
153.05566	1.9
154.02802	1.2
159.04520	3.5
160.05287	1.9
161.02524	1.5
161.04556	1.2
162.03220	1.1
162.06850	1.6
163.04074	4.4
165.05579	1.3
166.02724	6.2
166.50829	0.8
167.03493	1.9
173.02455	2.8
174.03255	3.4
175.04036	3.0
176.01173	5.4
177.01952	3.2
177.05589	3.0
178.02713	3.5
179.03432	1.2
181.05103	2.0
183.10327	1.1
185.02477	1.4
188.04820	11.7
189.01909	2.2
189.05565	3.3
190.02678	1.8
191.03555	2.8
192.04321	1.3
192.34622	1.0
193.05077	6.0
203.03546	3.2
204.04395	1.9
205.05067	1.1
205.89424	0.8
214.06538	1.3
219.06691	1.1
221.04494	1.9
226.06317	1.3
241.05247	0.9
253.05202	1.0
254.06041	2.2
255.03085	1.1
269.08191	1.7
270.05331	1.8
281.04712	0.9
282.05362	1.2
283.02490	1.1
285.07724	1.9
293.04648	1.2
294.05530	1.1
295.06137	1.6
298.04880	0.9
309.04202	0.9
310.04904	1.9
310.08316	1.6
313.07217	9.7
314.07385	0.9
314.83899	0.9
325.07089	4.2
327.08685	1.5
328.09537	32.0
329.09796	3.2
340.09634	4.3
343.11877	81.7
344.12262	8.5
355.08102	1.4
355.11884	7.5
359.24316	1.1
361.22461	1.4
373.09201	10.5
373.13040	19.6
374.09378	2.0
374.13385	2.2
380.07202	0.9
385.22244	1.1
387.10867	0.9
388.11694	19.9
389.12036	2.5
403.14056	100.0
403.18665	3.4
403.23322	6.1
404.14389	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	403.1977
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
52.18882	0.8
55.01883	1.2
57.03442	2.1
59.01385	73.6
60.01714	0.9
61.98820	2.5
71.01386	25.5
71.05006	1.1
72.99287	0.9
73.02951	11.8
81.50923	0.8
83.01389	2.2
85.02966	7.5
87.00874	2.9
89.02451	20.5
95.01382	1.2
97.06573	1.2
99.04522	2.3
101.02461	15.1
105.06554	0.9
111.08165	1.3
113.02457	10.0
119.03522	6.7
131.03571	1.1
132.04567	2.5
135.11765	1.7
137.09743	1.1
140.93498	0.9
143.03505	1.4
160.04013	1.5
161.04576	2.2
163.11308	2.0
176.03499	1.5
179.10785	8.0
190.05125	2.1
197.11847	2.4
197.15646	1.0
205.00786	1.4
211.12367	1.7
223.09814	16.0
223.13387	6.1
224.09755	2.4
239.11980	3.9
241.10609	3.0
241.14487	5.6
253.06252	3.4
267.07639	1.4
268.08554	1.2
283.10947	11.0
287.15033	3.8
309.08865	3.4
327.09933	12.2
328.10391	1.5
343.17474	1.1
365.17065	1.0
371.04242	1.7
371.08795	10.5
372.09509	1.3
403.11194	3.9
403.19727	100.0
404.20166	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	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84421	3.6
61.98831	7.4
69.59438	14.6
87.12563	3.8
94.91891	5.2
94.92515	100.0
122.79689	3.9
127.82553	3.8
151.41463	4.1
164.83626	6.0
221.11667	5.9
289.17981	6.3
307.19254	9.2
318.08621	4.1
329.17285	8.6
367.14481	4.6
403.12326	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	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15609	0.3
50.65502	0.2
59.67467	0.3
61.98835	100.0
69.67776	0.9
69.68158	0.6
75.82898	0.3
85.37643	0.3
86.29369	0.3
106.31431	0.3
122.35003	0.2
124.25334	0.3
200.42039	0.3
345.75122	0.3
351.25171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64242	10.0
59.01362	9.5
61.98842	100.0
69.69582	34.5
72.89906	7.8
77.18316	8.1
85.24062	7.8
98.22584	13.8
121.68082	7.9
204.00305	7.9
205.68350	9.7
274.23492	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	404.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28029	3.6
61.98838	100.0
71.13010	4.5
98.22606	13.1
98.86366	4.0
115.80534	3.8
150.58229	4.1
228.71083	6.2
267.68274	4.3
330.32272	4.6
375.63553	4.2
405.22739	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	404.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
61.98839	100.0
71.01385	1.6
71.41525	1.0
90.03382	1.0
107.68430	1.0
124.47316	1.1
126.10436	1.3
133.02927	1.3
148.83946	1.3
150.96854	1.1
177.01917	1.4
178.02658	1.3
404.13303	1.9
404.17984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2081
Annotation	Icacine
Peak:m/z	Relative Intensity
53.43739	0.3
55.24503	0.4
57.03454	2.0
59.01387	20.9
61.69995	0.3
65.23882	0.3
70.09595	0.7
71.01390	10.6
73.02954	0.9
81.20388	0.3
83.01402	0.5
83.05042	0.4
85.02946	2.1
89.02450	11.0
89.75106	0.3
93.03473	2.0
95.01419	0.8
101.02454	6.4
107.05033	0.4
113.02470	3.8
118.69930	0.3
119.03506	4.1
121.02953	0.6
122.03290	0.5
128.03575	0.6
134.07397	0.6
135.08194	0.6
139.07648	0.8
143.03545	0.4
143.04622	0.8
149.04550	0.4
149.09735	5.6
149.41089	0.4
153.09245	2.7
156.13921	0.3
161.04588	1.4
166.05110	0.9
167.10796	9.3
179.05664	1.0
209.11952	0.4
224.62758	0.3
225.14925	0.6
230.47960	0.3
235.11685	0.4
243.16016	1.8
270.18680	1.1
272.20047	0.4
280.17163	0.8
296.16611	1.2
298.18173	4.6
300.19724	0.7
329.07230	0.3
344.18683	100.0
345.18997	11.5
362.19849	2.2
367.15967	1.3
368.16492	1.3
404.20798	42.5
405.13394	0.7
405.21237	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	405.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63825	1.1
59.01387	14.0
61.98846	1.5
68.99825	18.8
69.20136	7.1
71.01389	4.8
81.03469	1.6
83.01356	1.3
85.02952	1.4
89.02447	2.3
94.62347	1.2
95.01375	2.0
97.02915	2.0
101.02448	4.2
107.01421	1.9
108.02188	30.8
109.02985	9.1
111.00881	1.5
113.02478	1.2
116.68745	1.3
117.03475	3.7
121.02941	3.4
122.03790	6.8
123.00905	17.7
123.04539	37.0
125.02468	1.5
129.10338	2.4
132.02208	4.7
133.02966	4.0
135.00899	1.3
135.04515	2.0
136.01639	1.7
138.03250	32.5
147.03032	1.5
147.04530	2.8
148.01648	1.8
149.02451	1.4
150.03232	23.9
153.01967	1.7
153.05560	2.6
161.02457	16.8
161.04503	1.6
162.03233	50.0
163.04019	22.3
164.01219	2.6
164.04744	4.3
164.99283	1.9
165.05519	2.2
175.03967	1.3
176.04802	1.8
177.05580	80.9
178.01173	2.1
178.02728	42.8
178.05928	4.4
179.03448	10.8
181.05081	21.8
181.06560	2.3
181.08733	1.2
193.05075	100.0
194.05826	53.3
195.06126	3.4
196.07428	17.6
199.05322	18.6
207.00203	6.4
211.09776	12.3
373.03336	7.8
375.14413	3.9
376.18958	3.2
405.09842	4.8
405.15497	49.1
405.21179	14.6
406.15472	5.9
406.20410	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	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16778	7.1
51.88620	6.8
57.03442	34.4
59.01389	100.0
69.09385	45.3
71.01396	47.7
73.02940	16.6
75.00878	20.8
77.21788	7.2
83.01392	8.9
85.02949	21.0
88.38882	7.8
89.02482	9.9
98.21928	12.6
98.63655	6.7
99.04530	28.8
101.02463	47.6
113.02437	13.3
134.49590	6.5
159.02921	8.8
159.15210	8.5
161.04535	11.6
181.46873	7.2
187.11371	11.3
192.05902	8.1
193.05118	18.7
223.08249	8.7
235.06171	15.3
252.78714	6.9
255.02864	9.4
261.13361	14.6
285.07669	9.3
295.08237	16.3
326.90457	7.4
329.06763	11.1
372.04886	9.5
387.07166	24.4
405.16840	14.1
405.25247	17.0
406.28348	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	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59788	0.6
55.01875	1.5
57.03453	6.2
58.00603	0.8
59.01385	63.3
60.01715	0.7
61.98830	1.1
71.01391	26.9
73.02953	13.4
83.01395	2.5
85.02959	8.9
87.00906	0.8
87.04513	0.9
87.62998	0.6
89.02456	26.0
91.44574	0.7
95.01397	1.7
98.22725	0.9
99.00892	7.4
99.04530	3.3
99.27033	0.6
101.02454	19.9
101.31207	0.7
111.00925	0.8
113.02465	9.1
119.03509	2.7
125.02458	2.7
131.03510	3.5
139.11304	21.7
140.11644	1.1
143.03525	1.6
149.00986	0.8
149.04585	11.6
159.03027	1.3
159.99840	0.6
161.04604	7.3
163.07678	2.5
163.11250	1.6
167.10713	0.8
181.12361	10.3
183.10286	22.7
184.10675	1.1
187.09738	1.8
191.05591	2.1
199.13403	4.4
207.10281	0.9
210.08958	0.7
211.07750	0.9
225.11374	6.8
228.74039	0.7
229.08743	2.1
241.26262	0.6
243.12398	100.0
244.12766	8.1
249.11383	1.6
261.13306	1.0
267.12021	0.7
285.13376	3.0
345.15390	1.7
357.13495	1.1
387.24234	1.1
405.17242	3.1
405.22610	1.4
405.25760	5.3
406.28238	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96581	0.8
55.01863	1.8
57.03451	100.0
58.03787	2.0
59.01384	81.8
60.01704	1.2
63.62477	0.8
65.04629	0.8
68.19688	0.8
69.12416	2.5
69.12845	3.7
71.01390	17.9
73.02953	11.2
73.31820	0.8
75.00874	3.0
81.03445	1.3
83.01388	6.2
85.02962	10.7
87.00895	1.6
87.04565	1.2
89.02455	1.8
95.01392	1.5
98.22614	1.6
99.00900	2.9
99.04526	69.4
99.07251	0.8
100.04848	1.3
101.02448	36.6
111.00922	1.2
113.02448	9.6
125.02461	17.3
143.03517	2.3
159.02992	2.2
161.04582	9.8
183.83221	0.9
187.11198	1.1
201.11322	1.4
205.74051	0.8
210.59969	0.8
225.11169	1.1
231.12462	1.4
231.68280	0.9
243.12405	1.4
247.70599	0.9
261.13446	32.0
262.13718	1.5
293.54797	0.8
303.14413	1.8
343.17538	1.0
376.83832	0.9
387.24033	2.0
405.16635	4.3
405.21725	0.9
405.25293	6.9
406.28116	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46919	0.9
55.01884	1.1
56.02801	0.8
57.03453	12.7
58.00572	1.9
59.01384	100.0
60.01715	1.2
61.98830	7.5
71.01388	64.3
71.43359	1.0
72.01749	1.1
72.99320	2.5
73.02937	2.2
78.95924	1.1
83.01369	1.5
83.05044	1.0
85.02954	12.9
85.05433	0.9
87.00891	2.3
89.02453	77.5
90.02760	1.5
95.01394	3.6
101.02448	30.8
112.05284	1.9
113.02466	25.1
115.41866	1.0
119.03516	29.6
131.03540	3.0
131.08595	1.1
134.07397	5.5
137.09746	2.5
143.03490	4.3
143.04460	1.0
145.09874	1.9
149.04553	2.0
149.08519	2.2
149.09732	38.7
150.10027	1.8
159.03049	1.5
161.04567	5.5
161.05940	1.1
164.28912	0.9
167.10786	71.2
168.11096	3.6
168.32336	1.1
168.33875	1.0
179.05650	9.7
190.95146	0.8
207.13936	1.1
225.14963	2.2
243.16023	1.6
319.07092	2.1
343.09964	1.1
405.21152	3.3
406.22314	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	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03455	5.2
58.00601	0.8
59.01383	100.0
60.01716	1.5
61.01804	0.4
61.98838	1.4
68.09555	0.4
69.03461	0.4
69.18298	1.7
69.18706	1.0
71.01386	51.7
71.05025	0.7
72.01720	0.8
72.99315	1.7
73.02942	4.3
73.03251	0.4
75.00887	0.5
81.03440	0.7
83.01389	2.7
83.05041	1.3
85.02957	11.6
87.00879	3.5
87.04515	0.6
87.33645	0.4
89.02451	56.6
90.02808	0.9
95.01416	3.0
97.02957	0.6
97.06580	0.5
99.00912	1.5
99.04539	2.2
101.02453	29.2
102.02814	0.9
109.06667	1.2
112.04099	0.4
113.02459	19.6
114.02818	0.8
116.92881	0.7
117.31274	0.4
119.03509	24.3
120.03897	0.7
121.03027	0.4
123.08198	0.6
125.02519	0.7
125.09749	1.1
127.00423	1.0
127.07697	1.3
131.03514	2.6
134.07362	0.7
137.09747	1.3
139.07680	0.8
143.03510	4.4
143.47885	0.4
145.03021	0.4
145.06224	0.5
147.08224	0.4
149.04588	2.3
149.09731	9.9
149.10864	0.7
150.10127	0.8
151.07700	0.4
151.11252	0.4
153.09241	0.6
156.01311	0.7
159.03029	0.9
161.04590	7.7
161.05862	0.7
163.11366	1.4
167.10780	13.4
168.11186	0.6
171.10323	0.6
179.05618	7.6
181.12407	1.6
191.05702	1.0
193.05200	0.6
199.80305	0.4
207.13898	0.7
225.11404	0.5
225.14865	2.1
243.16064	5.2
248.00082	0.5
387.20328	1.3
391.39517	0.5
397.12994	0.4
405.21600	16.8
406.17493	0.4
406.21844	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39207	0.6
52.94932	0.5
55.01894	1.2
57.03455	13.2
58.00612	1.0
59.01385	100.0
60.01721	1.1
70.96107	1.0
71.01388	52.8
71.05038	0.6
72.01756	1.1
72.99323	1.4
73.02961	3.6
74.52750	0.6
75.93924	0.5
78.68808	0.5
80.85037	0.6
81.03483	0.6
83.01399	2.5
83.05038	1.9
85.02951	10.2
87.00896	2.4
87.04552	1.1
89.02452	61.3
90.02817	1.2
95.01393	3.8
99.00928	1.4
101.02456	27.4
102.02838	0.8
112.05365	1.6
113.02457	20.7
114.02825	1.4
119.03514	24.4
120.05854	1.0
121.64373	0.6
126.14388	0.6
131.03551	2.7
131.08675	1.0
134.07416	4.2
135.08179	4.1
137.09766	2.3
139.07652	5.8
139.11324	1.1
143.03551	3.0
149.04591	1.8
149.09735	37.4
150.10129	1.9
152.08464	0.7
153.09224	21.7
159.03038	1.2
159.19925	0.6
160.69482	0.6
161.04561	6.4
167.10791	62.3
168.11125	4.0
171.10342	0.9
179.05664	5.9
207.13988	1.5
209.11894	2.8
225.14885	3.2
243.16003	11.0
244.16423	0.7
345.19159	1.4
405.21463	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03453	10.8
58.00607	1.3
59.01385	100.0
60.01730	1.2
69.30989	1.6
71.01389	53.3
72.01703	0.7
72.99313	1.3
73.02966	1.2
80.89104	0.6
83.01399	1.7
85.02956	9.6
87.00896	2.0
89.02454	62.8
95.01408	3.7
95.05045	0.7
98.21902	1.2
99.04522	0.8
101.02453	19.5
101.03111	1.1
112.05347	1.8
113.02466	18.9
119.03513	22.4
125.02502	0.7
125.09766	0.8
131.03535	2.5
134.07407	3.7
137.09718	1.0
139.11264	0.5
143.03481	3.9
149.04564	1.6
149.09732	32.9
150.10089	1.9
161.04541	3.2
161.68474	0.6
167.10786	51.4
168.11151	2.4
179.05617	7.2
191.05692	0.6
205.77400	0.6
207.13934	1.2
225.14980	4.3
243.16086	2.4
306.14673	0.6
321.78607	0.5
405.17108	0.7
405.21707	5.2
406.21802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01891	1.0
57.03453	1.3
58.00611	1.4
59.01384	85.9
60.01740	1.1
68.56419	0.7
69.14665	1.3
69.15066	3.7
71.01387	49.8
71.05031	1.3
72.01722	1.3
72.99320	1.0
73.02972	1.8
79.95744	6.3
83.01390	2.6
85.02949	9.0
87.00880	0.9
89.02452	38.5
92.40030	0.6
95.01421	2.1
95.95290	0.9
96.96032	2.6
101.02453	23.8
113.02458	14.1
119.03509	16.8
119.04326	1.0
131.03531	1.6
143.03520	1.9
143.07152	7.2
149.04584	1.3
153.12878	5.6
161.04570	1.2
179.05615	3.9
191.36768	0.6
225.14905	4.0
268.31335	0.7
273.61777	0.7
377.34427	0.7
378.17343	1.3
387.19952	0.7
405.21301	100.0
406.20749	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03461	1.3
58.00600	0.8
59.01385	91.0
60.01737	1.1
61.98833	1.2
68.32890	0.6
71.01387	61.4
71.05032	1.7
72.01721	0.9
72.99316	1.4
73.02961	2.7
83.01406	2.2
85.02955	8.2
86.01609	0.5
87.00886	1.6
88.37367	0.4
89.02454	39.3
90.02792	0.9
95.01392	3.1
99.00958	0.7
101.02457	27.0
101.33331	0.5
113.02460	13.8
119.02656	1.2
119.03514	17.7
125.06126	0.7
131.03520	1.5
143.03519	2.2
143.07161	7.9
149.04611	1.2
153.12851	2.9
161.04585	1.7
163.11385	0.5
168.92274	0.6
177.03549	0.5
179.05618	3.6
181.15942	0.6
207.13930	1.0
225.15027	2.2
243.08589	0.5
244.09633	0.6
277.42413	0.5
387.20102	1.3
405.21304	100.0
406.21634	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.36155	0.7
50.94267	0.7
55.01873	1.7
55.58801	0.7
57.03453	9.1
58.00613	1.0
59.01384	100.0
60.01718	1.5
61.98828	2.2
63.94407	0.8
69.10543	2.0
69.10961	3.2
71.01389	54.2
72.99304	2.6
73.02947	11.1
75.00881	5.6
83.01405	5.3
85.02963	15.9
87.00870	3.4
89.02453	53.7
91.59282	0.8
95.01400	4.7
97.02970	1.0
97.06596	1.9
97.73580	0.8
98.22688	1.5
99.00885	3.6
99.04540	4.0
101.02454	44.2
107.51548	0.8
111.00888	1.5
113.02457	25.2
118.03001	21.4
119.03510	21.6
122.99111	2.8
123.00842	1.2
123.04527	1.0
125.02471	1.8
129.01942	1.2
131.03510	2.8
138.00198	1.7
138.03207	1.4
139.11304	0.9
143.03535	5.5
149.04572	2.3
150.03209	1.0
153.05612	0.9
159.02948	2.7
161.04564	13.6
165.12862	5.2
165.99677	11.4
177.05519	2.0
178.02751	0.9
179.05627	18.3
181.05199	1.1
182.06134	4.7
187.09779	1.1
187.11255	1.2
188.74130	0.8
193.05028	2.6
195.14264	0.7
198.02174	1.3
201.11249	4.6
204.01367	0.9
207.14105	0.9
209.04768	1.6
210.05647	4.5
214.03368	2.4
221.06706	1.8
226.05185	1.9
227.12775	1.7
242.02806	14.6
243.03194	1.0
243.12404	2.1
243.16013	8.5
286.01828	64.9
287.02139	6.1
287.14908	3.9
318.04425	30.5
319.04816	1.7
329.11273	1.6
344.49905	0.9
405.21176	34.2
405.25061	3.6
406.21683	4.3
406.28040	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	1.1
57.03450	6.4
58.00588	1.3
59.01385	100.0
60.01725	1.6
61.98850	0.9
69.89904	1.4
69.90250	0.5
71.01388	50.3
71.05034	2.2
72.01717	0.6
72.99323	1.5
73.02946	5.1
74.02476	0.5
83.01391	3.0
83.05013	0.9
85.02962	10.7
87.00876	3.0
89.02454	57.4
95.01409	3.1
97.06612	1.0
98.22636	0.6
99.00904	1.2
99.04530	5.0
101.02455	29.8
102.02807	0.8
111.08160	2.4
113.02464	19.5
113.03268	1.0
114.02831	0.8
119.03519	30.1
123.08197	1.2
124.01221	0.4
125.02456	2.6
125.06104	0.8
128.03537	0.5
131.03535	3.7
137.09761	0.6
143.03532	4.5
143.04610	1.1
147.08238	0.9
149.04588	2.0
149.09792	0.8
151.11311	1.0
161.04568	9.3
163.11317	1.5
165.09254	0.7
167.10797	0.9
179.05644	14.1
181.12369	7.1
189.12833	0.7
207.13922	7.1
225.11473	0.7
225.14999	4.5
243.16025	15.1
244.16418	1.1
307.08255	0.5
328.19043	0.7
345.19073	1.1
357.13422	0.7
387.20300	6.1
388.20703	0.8
405.21378	41.0
406.22208	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	405.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25860	16.0
59.01377	22.8
60.82602	15.7
61.98823	31.4
65.11205	16.1
69.47212	100.0
71.73628	16.6
87.31808	20.2
94.92527	21.9
96.95992	22.5
111.90888	17.4
129.85068	17.3
309.46735	21.1
361.23956	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	405.2648
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
81.03442	11.5
85.41761	8.3
87.38533	8.7
95.05011	9.9
97.06577	11.1
98.19476	9.2
107.05036	85.0
111.00922	9.4
125.06092	33.0
125.09712	27.1
135.08144	17.7
135.71736	9.5
153.09215	43.3
163.11314	22.0
174.93500	9.1
183.21301	9.7
191.10770	26.2
207.10263	45.0
207.69167	8.9
209.11815	79.7
217.12306	12.3
225.11363	26.3
287.16504	13.4
297.27991	12.2
305.17590	55.5
333.55539	10.5
336.19403	100.0
387.25488	71.8
405.26382	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	3.1
57.03454	56.2
59.01385	100.0
60.01712	2.4
69.27179	8.8
71.01385	33.6
72.01714	2.4
73.02962	13.3
79.62311	2.0
83.01394	4.7
85.02966	14.4
87.00860	4.8
89.02454	22.3
93.03471	2.3
95.01444	2.0
99.00880	3.0
99.04530	45.7
101.02457	36.9
102.02761	1.9
111.00864	3.2
113.02460	16.5
115.00377	2.2
119.03535	10.5
119.05019	9.0
119.75632	1.6
123.04527	2.5
124.05032	1.8
125.02448	15.9
129.01997	1.8
129.05542	2.6
137.02458	2.5
143.03491	5.0
149.04549	1.9
159.02954	1.7
161.04568	15.4
163.03976	2.2
167.10724	1.7
175.02489	5.3
179.05577	3.9
185.02194	14.6
189.50623	1.7
191.05690	2.0
263.11368	26.6
287.64120	2.0
287.67990	1.6
305.12589	4.4
308.07327	2.1
344.18585	2.4
345.18982	6.4
346.19260	15.2
347.17136	2.1
363.16589	3.2
368.16470	11.6
369.16501	2.0
405.21042	2.2
406.13943	9.3
406.21667	12.9
407.14709	7.8
407.19449	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
70.97649	11.0
78.95900	21.7
105.69131	9.1
108.02213	14.1
163.75780	7.2
257.67343	7.3
297.30328	7.8
312.08951	19.6
349.10010	20.6
367.43103	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	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77731	3.1
59.01382	9.7
61.98839	100.0
66.04855	4.0
69.55804	15.2
79.63317	4.0
81.94998	4.3
97.02940	7.8
127.40553	3.8
227.99661	4.4
283.15433	3.8
338.10452	80.4
349.10135	6.7
363.12698	7.3
410.97977	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	406.2062
Annotation	Crystal violet
Peak:m/z	Relative Intensity
59.01368	0.5
69.25646	0.7
71.01379	0.2
79.95743	17.6
80.96523	1.1
83.05042	0.4
87.00861	0.1
89.02496	0.2
95.95240	5.7
96.31477	0.1
96.96021	8.3
98.22682	0.2
101.02425	0.4
113.02465	0.1
119.03502	0.2
124.94675	0.1
130.41315	0.1
150.03204	0.2
163.00720	1.3
165.05620	0.3
187.00694	0.5
195.06720	0.1
326.24850	0.4
378.17474	3.3
379.17926	0.3
406.20575	100.0
407.20886	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	406.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.4
57.03447	8.7
58.00593	2.0
59.01384	71.7
60.01720	1.8
69.03445	1.6
69.31773	2.9
71.01388	100.0
72.01727	1.6
72.99313	3.5
73.02950	44.8
75.00875	3.0
83.01392	20.7
84.02171	0.8
85.02956	54.2
85.72015	0.7
86.00105	2.7
86.03294	1.1
86.41284	0.7
87.00886	9.1
87.04494	0.8
89.02453	11.7
93.03465	2.6
95.01397	7.6
97.02969	4.0
97.06562	0.9
99.00893	14.5
100.01176	0.8
101.02450	93.1
102.02834	1.5
108.02171	1.9
111.00890	8.1
113.02452	46.4
114.02787	1.2
119.03497	3.5
125.02470	2.0
129.01959	3.4
131.03540	1.9
134.03702	0.9
137.18956	0.7
141.01970	1.2
143.03555	4.1
149.00928	11.6
159.03021	13.2
160.01576	0.7
161.04572	46.0
162.04893	1.4
171.10263	2.3
175.03966	0.8
179.05583	1.3
185.11826	0.7
187.07680	4.5
187.09297	0.8
193.25105	0.7
201.05565	3.5
205.03551	0.9
213.09210	1.2
225.11307	0.8
226.11714	0.9
231.10324	4.2
242.21312	2.1
244.22847	3.6
245.04544	1.1
257.08157	1.0
275.09323	3.9
275.15054	8.3
388.24396	1.3
406.28183	83.0
407.09821	3.1
407.19211	10.9
407.28421	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	407.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
69.03419	1.0
78.95911	14.5
85.02930	1.6
93.03451	1.5
95.01369	2.1
96.96004	2.1
96.96967	2.2
99.65866	0.9
108.02180	48.9
109.02964	100.0
110.03297	2.5
123.00854	1.8
150.99527	2.1
152.99588	11.7
165.04808	2.4
171.00667	7.5
174.99245	1.6
183.04495	1.3
184.05141	1.2
185.06097	19.6
186.06392	1.5
192.36287	0.9
198.23505	0.9
211.04031	2.8
211.13438	1.7
213.05434	1.2
229.05003	2.4
249.18706	1.6
271.08673	0.9
379.11142	6.2
380.60010	1.0
389.09503	3.2
404.60519	1.0
407.10492	77.5
407.17334	14.0
408.10873	10.4
408.16550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35937	0.5
57.03461	0.7
59.01388	9.2
63.33652	0.6
66.32417	0.6
69.09095	2.8
69.09523	1.7
71.01387	2.1
73.02970	1.0
77.86642	0.6
79.95739	1.1
85.02964	1.3
85.38992	0.6
87.00903	1.5
89.02460	1.7
93.03469	2.6
98.22694	1.3
101.02444	2.1
103.04029	1.4
113.02445	1.2
117.03539	0.9
119.03510	0.8
121.02959	3.5
122.03751	12.9
124.98044	0.6
133.02997	3.4
134.03786	2.9
135.04543	1.4
136.01706	0.7
137.02380	0.7
146.43958	0.7
149.00763	0.5
149.01196	0.5
149.02452	18.2
150.03238	87.7
151.03574	3.1
161.02460	0.7
161.04515	0.7
162.03206	0.7
164.04842	4.1
165.05579	100.0
166.05927	6.7
171.10266	0.8
177.01936	1.8
178.02733	0.9
178.06300	0.6
180.04309	5.9
181.05084	2.1
195.06638	64.6
196.06987	4.0
211.09770	1.8
231.10298	1.4
275.09265	4.5
328.98752	0.6
344.12646	0.7
359.14923	3.2
402.04745	0.6
407.09250	1.1
407.21274	4.7
408.21201	1.0
419.64938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.0
57.03468	5.6
59.01383	61.4
69.03465	1.8
69.27994	4.2
71.01389	62.2
71.05027	1.3
71.38792	0.9
72.01755	1.9
72.99311	4.6
73.02952	34.1
74.62917	0.9
75.00867	3.3
81.80621	1.0
83.01402	13.4
85.02958	35.5
87.00877	10.5
89.02450	14.3
90.20267	1.1
95.01391	4.7
97.02923	5.1
98.22676	1.9
99.00891	13.6
99.04547	2.4
101.02452	69.4
102.02749	1.7
103.00391	1.8
104.52966	1.0
106.95744	1.0
108.02127	1.3
111.00948	1.4
113.02459	30.4
113.09681	1.0
114.02819	1.0
115.04033	7.6
119.03490	2.2
125.02447	3.8
129.01958	2.2
131.03477	2.9
133.02977	1.1
143.03491	3.2
149.00937	21.6
149.04556	3.0
159.03058	5.4
159.04308	1.2
161.02505	1.8
161.04567	28.4
162.04832	1.8
165.01869	2.9
165.05586	1.3
170.23483	1.1
171.10281	8.1
172.05273	2.5
173.06154	1.3
177.01845	1.2
180.04277	1.3
185.11858	2.3
187.07686	12.3
189.05606	1.0
195.06592	3.1
201.05588	2.7
202.06371	4.1
213.08971	1.5
215.07266	1.1
225.05612	1.2
225.07710	2.8
231.10225	6.6
233.06778	2.0
246.11314	1.4
273.11362	1.1
275.09225	6.2
275.15030	99.7
276.15408	7.3
300.03052	1.2
317.10464	2.2
319.13519	1.2
407.19186	100.0
408.19583	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	407.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.5
57.03459	4.5
59.01385	50.1
69.03463	1.7
71.01389	58.4
72.01717	1.1
72.99319	2.1
73.02955	32.1
75.00878	1.8
81.03456	1.0
83.01402	13.3
85.02959	30.2
86.03290	1.1
87.00882	6.2
87.39540	0.7
89.02453	13.4
95.01392	3.8
95.75809	0.8
97.02957	3.3
99.00894	10.2
99.04511	1.2
101.02456	57.6
101.06073	1.4
102.02777	1.7
111.00873	1.5
113.01714	1.5
113.02464	22.5
113.09766	1.2
115.04030	1.7
119.01456	1.0
121.02991	1.4
124.01678	1.7
125.02451	4.2
126.75000	0.9
129.01982	2.3
131.03516	3.3
135.00914	0.8
137.02432	1.5
143.03500	3.3
149.00963	4.1
149.04524	1.4
153.01941	1.1
154.02780	1.7
159.03029	4.9
161.04576	23.5
164.01257	0.8
165.01949	6.0
166.06305	1.2
169.05008	1.5
171.10294	9.6
179.03517	6.1
180.04353	4.0
185.11848	1.8
187.07628	1.5
191.05664	1.1
194.05914	1.2
195.06630	4.6
201.05626	1.0
225.07584	4.2
231.10207	1.7
233.06696	2.1
245.12746	1.3
275.15045	74.7
276.15405	5.5
293.08942	1.6
301.10712	1.4
329.10242	7.9
344.12662	4.9
347.07581	1.2
359.15018	15.9
360.15317	1.7
407.09976	5.5
407.19217	100.0
408.10825	0.9
408.19595	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	407.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.3
59.01367	10.4
62.05542	4.1
71.01372	5.0
80.91688	21.8
83.01376	9.0
83.05016	4.2
94.38575	4.3
97.06558	5.6
99.92603	33.7
100.93364	11.3
115.92071	12.2
120.30098	4.6
123.00456	4.3
123.04587	5.8
123.08134	7.9
125.09713	25.3
127.11232	7.8
137.09700	4.8
141.09282	10.2
144.93239	4.4
151.11319	5.1
171.10255	18.4
183.10037	5.7
193.08412	19.3
201.11354	49.6
209.07921	6.7
213.11328	28.3
219.10056	7.4
223.09544	100.0
224.09879	6.7
235.09482	32.0
241.09349	12.1
249.10867	6.7
260.10251	23.0
278.11398	39.9
289.18192	8.8
307.19046	29.3
321.04324	6.5
325.20197	85.6
326.20264	6.5
329.17337	59.1
330.17657	5.6
347.17868	27.1
391.44925	4.9
403.08176	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	407.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.4
61.51070	2.1
62.37827	2.4
71.01391	23.3
76.35197	2.2
78.15131	2.4
80.91695	11.2
82.53760	2.3
83.05027	2.4
95.05046	6.2
99.92580	17.2
100.93372	2.5
115.92115	3.2
121.02934	4.8
123.04553	4.9
127.07677	10.8
139.07661	2.3
144.07706	2.4
153.09280	3.2
163.11227	2.4
165.01715	2.8
171.10286	5.8
181.12256	2.9
185.11885	5.1
197.11842	6.7
207.10054	16.5
209.11833	25.5
219.10059	5.8
221.07971	8.5
231.10085	2.5
260.10349	24.4
268.08270	2.7
278.11398	100.0
279.11728	4.5
289.18057	3.1
307.19165	37.3
321.04349	5.0
325.20224	19.8
329.17355	44.7
330.17642	3.5
338.12088	2.7
347.17987	20.0
371.93478	2.4
372.10233	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	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
78.95908	100.0
96.96968	9.1
105.10249	0.8
118.53640	0.8
150.98030	1.0
152.99597	84.6
153.99939	1.2
171.00648	65.6
186.16251	0.8
325.18503	1.5
407.22031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17976	0.4
59.01391	3.7
61.98834	100.0
63.91622	0.5
69.46897	1.8
71.01403	1.3
73.02943	0.7
89.02463	1.1
92.76521	0.5
101.02435	0.7
117.16979	0.5
120.11476	0.5
159.08214	1.1
202.70036	0.5
280.30713	0.5
307.88599	0.6
320.70499	0.5
358.20273	4.4
382.79736	0.6
387.83951	0.6
390.22839	4.4
408.15106	0.8
408.23972	8.5
409.24097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20031	7.2
59.01368	6.5
59.73432	6.5
61.83493	6.7
61.98838	100.0
69.64938	19.2
75.98888	6.9
99.92605	22.6
101.59318	6.8
115.92058	7.6
116.92878	14.8
124.48743	6.9
125.09696	7.6
187.09764	13.9
258.82486	8.1
267.45529	6.7
295.49396	6.7
408.06775	7.4
408.12195	8.6
409.13467	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	408.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25620	7.6
58.37630	8.0
59.24186	6.8
60.38705	6.9
61.98840	100.0
64.90132	7.1
65.01600	7.1
65.02713	7.4
71.37489	8.0
71.39931	8.0
78.95929	26.6
139.42314	8.7
408.28683	10.0
409.19061	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	408.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	18.0
61.98840	17.7
69.06500	100.0
71.13393	11.8
98.21909	36.3
99.92593	39.3
101.05936	11.5
115.06319	12.4
116.92853	51.8
130.53278	11.8
133.34215	12.1
137.09830	14.0
150.02861	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.3
57.03464	3.8
58.00593	0.9
59.01384	100.0
60.01718	0.7
69.03447	2.0
69.46532	2.0
69.46930	2.6
71.01387	74.3
72.99304	1.9
73.02957	24.9
75.00879	2.4
77.35494	0.8
81.03443	1.2
83.01389	8.6
83.21330	0.8
85.02464	1.5
85.02959	20.6
87.00874	3.0
89.02454	80.2
90.02776	1.5
95.01380	3.3
97.02947	2.0
99.00897	12.7
99.04528	1.6
101.02450	57.3
111.00850	1.2
113.02452	25.0
114.02834	0.9
115.04018	2.0
115.07651	1.7
119.03497	12.2
125.02464	6.5
131.02545	1.2
131.03497	13.8
143.03532	3.9
149.04570	26.7
150.04910	1.2
159.03018	2.6
161.04562	20.4
165.05722	0.8
179.05608	3.3
191.05638	6.6
199.41208	0.7
215.72205	0.8
226.64066	1.0
233.06693	5.2
245.29799	1.1
251.07886	0.9
261.97406	0.9
277.12949	50.5
278.13306	3.9
293.08823	3.5
379.97928	0.8
409.17163	54.1
410.17673	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03445	1.9
58.00602	1.8
59.01385	89.8
60.01727	1.4
70.18431	0.8
70.32847	0.8
71.00000	1.4
71.01389	58.7
72.01738	1.4
72.99335	1.3
73.02954	24.0
83.01385	3.6
84.48087	0.9
85.02947	10.0
89.02455	100.0
90.02779	1.1
95.01398	2.1
97.02988	2.3
99.00272	1.7
99.00893	28.4
99.04535	1.4
101.02457	43.3
113.02474	13.0
115.04073	0.9
119.03516	6.3
125.02456	6.3
131.03528	16.0
143.03485	2.5
149.04573	56.2
150.04887	1.3
153.16490	1.0
159.02977	1.4
161.04561	12.7
179.05586	1.8
191.05650	13.9
213.89204	1.0
233.06677	1.5
251.07698	3.1
277.12943	21.6
278.13388	1.0
346.85483	1.1
373.34583	0.9
409.17169	24.1
410.17310	2.7
412.35483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03442	2.2
58.00589	1.4
59.01384	89.7
69.03452	1.5
69.91733	3.0
71.01389	68.4
72.01725	1.1
72.99313	1.3
73.02950	27.6
75.00855	0.9
83.01409	3.4
85.02959	11.4
87.00872	1.9
89.02452	100.0
90.02786	1.0
95.01402	2.0
96.96043	1.9
97.02961	2.9
99.00893	30.3
99.04496	1.1
101.02451	48.7
102.02767	2.2
113.02461	16.9
115.07703	1.0
119.03509	7.4
125.02457	5.2
131.03517	16.5
143.03516	2.6
149.04567	54.6
150.03175	1.1
150.04968	1.9
151.16393	0.8
159.02972	2.3
161.04565	14.3
161.05846	1.1
165.05611	1.3
179.05630	0.9
191.05644	13.6
198.22432	1.0
216.81584	1.1
221.06683	1.9
233.06778	2.1
251.07800	2.6
263.89996	1.0
277.12967	26.8
278.13065	2.0
293.08929	1.2
357.38953	1.0
409.11935	1.8
409.17206	31.9
410.16855	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03447	1.8
59.01383	100.0
60.01717	1.1
61.98833	1.1
62.47740	0.6
69.40907	2.9
71.01385	16.0
71.01787	0.8
73.02950	3.6
83.01408	1.7
85.02950	4.8
87.00884	1.2
89.02451	12.2
95.01408	1.2
98.21872	1.1
99.00895	1.5
101.02448	13.1
113.02454	8.0
114.31009	0.6
119.03492	5.4
125.02439	0.6
131.03510	0.6
134.03661	0.7
135.03036	0.7
141.09224	1.2
143.03540	1.8
159.03027	0.7
160.01772	0.7
161.04549	6.2
161.13782	0.6
179.05650	3.9
203.07143	0.8
210.27020	0.6
229.08762	0.8
305.16061	16.4
306.16550	1.0
331.17587	4.1
349.18750	1.1
355.48834	0.7
409.16367	1.5
409.21283	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	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15853	0.6
55.01879	7.9
57.03445	4.9
58.00590	0.7
59.01383	56.5
61.98828	3.7
65.34092	0.5
68.99821	0.7
69.03442	2.4
71.01385	64.1
72.01716	0.9
72.99292	1.2
73.02950	38.4
74.03284	0.8
75.00852	1.8
77.37289	0.6
81.03448	1.0
83.01392	16.8
83.01885	0.9
85.02953	36.3
86.00076	2.8
86.03264	0.9
87.00864	4.6
89.02452	11.2
95.01387	5.6
96.96003	0.8
97.02963	3.9
99.00882	12.6
99.04469	0.8
101.02448	77.4
102.02787	1.6
111.00890	2.7
113.02456	27.1
115.04049	3.1
115.11249	1.0
119.03507	1.0
125.02466	3.9
129.01917	1.7
131.03532	3.0
132.09270	0.6
143.03500	3.7
144.04781	0.7
149.04555	1.9
159.02982	5.1
161.04570	24.3
162.04849	0.9
185.11748	0.9
191.05640	0.7
233.06677	2.8
277.16565	100.0
278.16849	5.9
298.76764	0.6
409.20807	88.6
410.21149	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	410.096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84034	1.1
61.28709	1.0
75.37344	1.2
78.95928	2.3
95.90788	1.1
96.96023	21.1
96.96957	1.6
99.92592	68.6
100.92620	2.6
100.93359	3.8
111.75703	1.1
113.80330	1.3
115.92089	9.3
116.92100	1.9
116.92857	9.5
118.89989	100.0
119.89999	3.1
119.90787	5.4
134.87569	1.2
134.89487	6.7
135.89287	2.1
135.90268	21.9
136.90372	1.6
138.40697	1.0
141.93619	1.8
150.89001	1.7
175.01280	1.2
240.15108	0.9
306.05743	1.2
336.51715	1.1
339.90851	1.1
341.02631	2.2
374.11914	17.3
375.11969	2.1
410.09610	63.1
411.09799	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	410.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40455	4.6
57.03453	37.8
58.03791	10.4
59.01391	100.0
60.01685	4.9
61.98803	5.8
63.96878	5.7
69.03452	5.6
71.01389	62.8
71.20815	10.4
73.02963	35.6
75.00886	6.1
83.01397	9.5
83.72155	6.0
85.02959	32.8
87.00873	10.4
89.02436	25.8
95.01409	6.8
96.96015	8.0
96.96999	5.6
99.00919	13.3
99.04555	24.7
100.04883	10.3
101.02464	67.7
102.02782	7.8
113.02479	26.2
125.02473	18.9
125.07236	5.9
135.22801	5.1
143.03424	6.1
161.04582	31.2
235.11856	44.6
266.13254	9.8
279.14560	31.0
367.16132	96.5
368.16788	7.6
411.18777	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.8
55.02302	4.4
55.10042	4.1
57.03444	5.7
59.01385	78.1
60.64875	4.9
69.75628	10.5
69.75993	10.6
71.01382	70.3
72.68005	4.1
73.02953	37.0
75.00880	7.1
83.01394	11.3
85.02956	42.4
89.02464	33.2
91.62714	4.4
99.00890	10.2
101.02462	63.6
106.11866	4.8
113.02458	24.4
118.05108	6.9
127.99152	5.1
140.90906	4.9
161.04549	26.2
235.11916	43.3
279.14514	42.3
332.31116	5.3
367.16080	100.0
368.16452	11.4
410.17548	6.6
411.18777	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.43192	29.9
69.60250	8.1
73.94568	6.7
99.92577	13.6
100.92619	6.3
108.68473	6.1
115.92054	11.7
116.92863	16.0
117.92854	10.4
178.60919	6.9
216.37360	7.0
260.10074	8.3
335.39694	7.0
341.07928	40.4
374.11462	13.5
403.28024	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	411.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88631	1.5
55.01877	1.8
57.03453	85.3
57.40638	1.8
58.03772	2.2
59.01385	100.0
62.73911	1.6
65.83036	1.6
69.44469	7.6
71.01391	39.0
73.02953	18.9
81.03471	2.2
83.01377	5.7
85.02955	16.5
85.25753	1.6
88.54794	1.8
89.02464	23.4
95.01401	2.7
96.96023	2.1
99.00887	14.0
99.04529	66.7
99.64932	1.6
101.02451	51.6
101.03114	3.3
105.05562	9.0
113.02459	22.1
119.03509	6.4
125.02465	38.5
131.03569	3.9
143.03516	4.7
149.04575	3.0
161.04559	24.4
191.05724	2.3
235.16844	2.0
249.00909	3.7
249.09789	20.9
267.10880	79.7
268.11179	4.2
279.99164	2.8
309.11935	21.0
338.67029	1.9
349.15009	3.3
351.03943	2.9
411.14960	25.9
412.03320	2.4
412.15265	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	411.1663
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01878	1.4
57.03455	0.9
58.00597	0.8
59.01382	78.8
60.01714	1.6
66.70065	0.8
69.22224	2.3
69.22649	1.9
71.01386	31.8
72.99314	1.2
73.02953	1.1
83.01391	2.8
85.02944	6.9
87.00930	0.6
89.02447	26.9
95.01382	2.8
98.22611	1.4
101.02440	19.3
102.02852	0.7
113.02454	9.9
119.03517	10.4
123.02389	0.7
133.01743	1.0
134.02492	19.3
134.03586	1.2
143.03514	1.0
146.03752	1.7
147.04547	0.8
149.04617	0.9
158.03722	1.6
159.04524	4.1
161.04500	1.0
172.05309	2.5
173.06088	8.3
174.06720	2.0
175.04041	1.0
175.07623	0.8
179.05609	1.2
187.04018	4.6
187.07645	29.4
188.08047	2.6
201.05595	8.4
202.06366	39.4
203.06757	3.7
203.10851	1.5
213.09198	1.7
214.02542	0.8
216.07938	2.8
219.10185	0.7
231.10266	61.6
232.10568	3.9
241.03879	4.9
249.11296	1.9
256.06204	0.8
285.02774	1.6
300.05185	3.9
332.07733	13.1
382.12823	1.1
411.16602	100.0
412.03366	2.1
412.16895	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	411.1665
Annotation	Pteroside S
Peak:m/z	Relative Intensity
55.01888	1.7
57.03460	0.9
58.00602	1.5
59.01386	93.0
60.01719	1.2
69.12051	4.5
71.01390	38.8
72.01702	0.7
72.78230	0.7
72.99317	1.4
73.02956	1.3
83.01392	2.4
85.02957	7.5
87.00873	1.3
89.02457	37.7
95.01382	2.7
101.02460	23.9
102.02756	0.7
113.02461	12.2
119.03515	15.2
131.03503	1.3
134.02631	1.4
134.03757	9.1
143.03522	1.7
148.05327	3.2
149.04561	1.0
151.04007	1.9
161.04553	1.5
174.06981	1.0
179.05595	5.4
188.04791	1.1
199.95024	0.8
203.10825	21.7
204.11084	1.8
231.10281	15.1
269.98175	0.8
270.13724	0.8
302.97433	0.8
313.09219	1.0
314.10049	1.5
332.07898	1.6
383.17178	6.9
384.17865	1.3
411.16660	100.0
412.17014	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	411.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43534	4.1
59.01381	25.6
69.35653	20.7
71.01353	7.5
73.02938	5.5
76.81470	5.2
77.59813	4.8
85.02970	9.0
89.02481	4.3
96.95995	4.3
101.02373	6.0
103.31237	4.5
104.65245	4.6
111.00882	55.5
133.02974	8.0
134.02489	47.0
134.03748	12.6
152.64485	4.2
153.01903	4.7
165.42290	5.2
172.80772	4.8
177.01932	6.4
178.02759	8.1
181.03819	16.9
213.14977	100.0
214.96550	7.5
254.83008	4.7
268.09540	4.5
275.09216	5.7
286.27130	4.7
289.18915	6.4
293.10211	6.6
299.18622	9.1
300.05197	40.2
332.07767	67.8
411.14853	6.6
412.03470	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	411.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43534	4.1
59.01381	25.6
69.35653	20.7
71.01353	7.5
73.02938	5.5
76.81470	5.2
77.59813	4.8
85.02970	9.0
89.02481	4.3
96.95995	4.3
101.02373	6.0
103.31237	4.5
104.65245	4.6
111.00882	55.5
133.02974	8.0
134.02489	47.0
134.03748	12.6
152.64485	4.2
153.01903	4.7
165.42290	5.2
172.80772	4.8
177.01932	6.4
178.02759	8.1
181.03819	16.9
213.14977	100.0
214.96550	7.5
254.83008	4.7
268.09540	4.5
275.09216	5.7
286.27130	4.7
289.18915	6.4
293.10211	6.6
299.18622	9.1
300.05197	40.2
332.07767	67.8
411.14853	6.6
412.03470	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	411.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91139	1.2
55.01884	11.0
57.03452	6.3
58.00587	1.6
59.01382	78.3
61.98828	3.5
69.03464	2.6
69.50861	3.8
71.01386	99.9
72.01736	1.6
72.99303	2.4
73.02949	40.7
74.03271	1.3
75.00898	2.2
78.50001	1.1
81.03470	0.9
83.01387	17.1
85.02955	51.2
86.03280	1.5
87.00892	4.8
89.02444	17.0
93.45451	0.8
95.01391	9.2
97.02962	3.8
99.00883	12.5
99.04490	0.9
101.02448	100.0
102.02793	1.3
107.86687	0.9
111.00892	1.5
113.02454	46.9
119.03516	5.8
125.02484	4.7
128.95593	1.0
129.01938	2.8
131.03477	1.0
134.02478	3.0
143.03508	5.5
159.02989	8.9
160.01662	1.3
161.04572	40.9
162.04874	2.2
175.03955	1.4
179.05659	3.2
188.07132	1.7
207.11922	0.9
214.96532	3.2
221.06688	1.5
241.03871	1.5
249.13445	59.3
249.52124	0.9
250.13754	2.4
263.07721	1.1
279.14569	3.0
282.45117	0.9
332.07693	2.2
351.20294	1.8
378.48221	0.9
411.18738	46.9
412.03561	1.1
412.18832	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	411.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34350	0.6
55.01887	10.0
57.03459	5.3
58.00602	1.3
59.01386	61.4
61.02938	0.7
61.98832	1.1
69.03460	3.8
69.35873	1.6
69.36263	1.6
71.01390	83.0
71.05038	0.7
72.01704	0.9
72.99311	1.4
73.02957	43.8
75.00871	2.7
81.03455	1.8
83.01396	17.4
85.02961	43.3
86.00099	1.6
87.00874	3.8
89.01939	1.2
89.02457	15.9
93.03463	0.6
93.40237	0.6
95.01393	5.9
97.02964	7.0
97.75316	0.6
99.00893	14.5
99.04520	1.3
101.02460	79.1
102.02836	1.4
111.00885	2.7
112.00388	0.8
113.02465	30.9
115.04020	3.8
119.03487	0.8
125.02479	6.4
129.01978	1.7
131.03540	3.6
134.02554	5.2
143.03516	2.9
149.04579	1.4
159.03021	6.5
161.04578	31.6
162.05731	1.1
191.05539	0.8
197.69551	0.6
214.96568	7.8
215.05710	0.6
231.10353	0.7
233.06728	5.3
241.03827	1.2
279.14523	100.0
280.14795	7.0
293.08856	2.0
300.05167	1.0
332.07870	3.0
411.18768	84.3
412.03348	3.4
412.19217	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	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71140	0.9
55.01874	5.8
57.03459	3.9
59.01385	46.6
69.03461	1.0
69.34457	4.1
71.01390	53.3
73.02951	30.7
73.03369	1.0
73.67191	0.7
75.00877	1.6
81.03471	0.8
83.01394	10.5
85.02957	26.8
87.00874	3.6
89.02459	16.3
92.62245	0.8
95.01390	3.2
96.16792	0.9
97.02952	2.4
99.00895	9.5
99.33912	0.9
101.02456	56.1
102.02786	1.2
111.00900	3.6
113.02454	20.6
115.04001	2.5
117.09231	2.7
119.03500	2.9
125.02444	3.0
129.01945	1.4
131.03534	3.9
143.03519	2.5
149.04521	3.2
159.03008	5.7
161.04582	23.5
162.04901	1.3
187.09886	0.9
191.05627	1.3
214.93810	0.9
233.06670	4.8
279.14514	83.5
280.14798	4.8
293.09082	1.0
411.18741	100.0
412.19067	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	411.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.22784	5.2
62.46152	4.2
63.90893	4.5
72.66070	5.0
77.89832	4.5
99.92604	5.5
100.83888	4.8
114.75758	4.9
133.61902	4.9
135.78296	4.6
172.99794	4.2
219.60037	5.2
411.31049	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	412.0347
Annotation	918505-84-7
Peak:m/z	Relative Intensity
50.83743	0.4
59.01373	2.0
61.98816	1.3
69.03461	18.0
69.07243	1.8
69.07645	1.1
71.01386	1.7
73.76120	0.5
79.01897	10.4
79.95725	3.1
80.96504	2.6
87.67578	0.6
95.01394	2.0
97.02959	10.7
101.02481	0.7
107.00723	0.7
107.01406	9.5
111.26456	0.4
113.02450	0.8
117.34103	0.5
118.02982	0.9
121.58018	0.4
122.02460	1.8
123.00904	6.4
125.02457	6.0
134.02478	0.7
151.00388	0.7
152.01180	1.4
158.97549	0.7
161.04523	0.9
166.01486	3.8
175.03979	0.5
186.97099	3.9
188.98613	3.5
212.97446	1.1
214.96576	100.0
215.96852	4.6
222.04074	0.5
255.01717	0.6
257.03387	0.5
279.14487	0.6
283.01224	1.8
320.99496	0.6
336.01828	0.7
378.87216	0.5
380.00974	0.8
397.01157	0.7
412.03452	47.8
413.03839	4.7
429.93246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94812	0.7
59.01379	2.6
65.99831	0.9
69.03462	11.2
69.62951	2.2
77.62085	0.6
79.01900	4.3
80.96530	3.8
82.02978	1.3
84.04524	1.1
85.02962	1.1
89.98605	0.6
95.01377	1.4
97.02962	5.9
98.22568	1.0
100.04053	1.4
101.02429	0.7
107.01391	5.2
123.00947	3.1
125.02442	1.9
128.03488	0.7
133.01724	4.8
134.02492	100.0
135.00966	0.7
135.02835	2.9
149.01198	4.0
158.03804	1.3
181.03854	0.9
185.04793	1.4
186.03181	0.9
186.97130	2.0
188.98688	0.9
191.99263	0.7
212.03532	2.4
213.04306	3.8
214.02783	1.4
214.96573	54.6
215.96925	2.1
224.03494	0.9
229.05128	1.8
232.09808	1.8
240.03008	3.3
241.03816	28.2
242.02219	3.8
242.04359	1.4
250.10818	0.9
256.06161	4.0
285.02820	12.1
300.05161	25.5
301.05566	2.3
314.65860	0.6
330.06219	2.5
332.07782	70.3
333.08081	6.4
412.03445	30.3
412.16003	7.0
413.03812	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	412.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00544	0.5
62.57460	0.4
69.03472	0.5
69.83864	0.9
69.84222	0.9
80.96520	1.7
82.74368	0.4
97.02991	0.5
98.21986	0.7
107.01434	0.4
107.15619	0.4
117.09668	0.4
117.31458	0.4
133.01711	5.6
134.02498	100.0
135.00908	1.0
135.02858	3.3
149.01228	3.8
152.72293	0.4
158.03719	1.4
160.01701	0.5
180.03050	0.4
181.03850	0.4
185.04778	1.4
186.03235	1.2
197.04817	0.5
198.03288	1.0
202.06433	0.5
207.01663	0.6
212.03499	2.6
213.04317	4.1
214.02736	2.0
224.03726	0.6
229.05124	1.6
240.02985	2.9
241.03830	26.5
242.02177	3.0
242.04265	1.4
256.06137	3.1
285.02820	13.6
286.03036	0.6
300.05167	25.8
301.05472	2.6
317.05582	0.7
330.06171	2.7
331.06616	0.6
332.07785	69.9
333.08118	6.6
412.03473	9.9
413.03864	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	412.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
70.67709	0.6
71.01382	0.6
71.56483	0.4
77.40865	0.4
89.02464	0.6
95.87264	0.5
96.95977	0.7
101.03979	6.1
110.14148	0.5
119.05044	0.9
122.81558	0.5
129.03459	2.0
136.04028	1.3
145.02943	1.1
147.04530	1.1
148.00418	5.1
157.02965	32.5
158.03273	1.7
163.04037	8.4
165.00737	0.9
171.03276	3.0
172.04079	6.2
173.02463	9.4
173.03960	0.4
175.04013	1.2
180.03009	2.6
189.01894	0.5
195.05411	1.0
199.02786	3.5
200.03549	85.6
201.01936	16.3
201.03886	4.7
202.02303	0.7
219.03041	2.3
230.56039	0.5
232.27869	0.5
235.03983	1.4
244.51057	0.5
250.02713	0.7
250.05142	1.7
251.03461	2.1
252.03069	0.5
263.03430	1.1
277.01422	0.5
278.04639	3.3
279.02921	5.1
280.03607	0.7
281.04007	0.5
290.02115	0.8
291.02695	0.6
293.04279	0.5
294.04080	1.1
306.04248	4.5
307.02423	3.5
309.04028	0.5
318.91519	0.6
321.03879	1.8
321.07022	0.7
322.04379	5.9
336.08752	0.6
337.07224	6.2
338.07037	1.5
347.01962	1.0
350.03067	6.6
363.05167	1.2
364.04837	0.5
365.05453	15.1
366.05853	1.1
380.07782	100.0
381.08124	11.4
381.12872	0.4
412.10431	14.9
413.10648	1.8
413.16571	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	10.8
59.01387	100.0
61.61910	6.6
69.54564	7.8
71.01398	37.0
78.95898	10.0
79.45561	6.2
85.02981	8.4
89.02441	31.6
101.02401	17.8
107.05074	13.7
109.02986	9.2
113.02443	14.2
119.03492	14.5
134.02504	69.2
152.99600	10.0
166.12135	8.5
177.83688	7.6
179.05608	8.1
227.47139	9.2
283.02155	9.7
300.05099	33.2
332.07742	54.6
412.02945	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	412.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70492	19.7
62.92247	20.2
67.77609	20.7
69.42265	100.0
74.33906	22.1
108.62160	21.3
109.84934	22.6
127.36999	18.7
292.83350	22.3
297.84247	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	412.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	2.8
68.78503	0.6
69.64541	2.7
98.21910	0.9
110.02518	0.8
112.04070	1.1
144.26483	0.7
153.12857	2.0
171.13870	0.8
180.17592	1.7
194.15535	1.5
224.16556	100.0
225.16884	7.3
238.14450	1.8
238.54608	0.6
244.11664	0.6
279.78946	0.7
290.44724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.9
57.03452	3.4
58.00634	0.8
59.01388	24.9
61.98862	2.7
67.01916	1.0
68.99861	1.4
69.03471	1.0
71.01392	23.4
72.79937	0.7
72.99319	5.0
73.02984	2.9
75.00880	14.8
81.03496	0.9
83.01424	1.4
85.02963	24.6
86.05430	0.8
87.00893	7.9
89.02454	8.9
89.02950	0.9
95.01417	6.1
99.00890	10.1
101.02480	1.8
103.00431	2.5
111.00919	1.7
113.02463	31.1
114.02829	0.9
115.00419	1.6
117.01993	3.0
117.03457	3.9
119.05041	42.9
120.05423	2.0
122.06160	2.4
123.03691	0.8
127.43188	0.8
127.93496	0.7
129.01999	2.5
132.02219	1.1
134.02530	1.9
135.02872	0.9
135.24796	0.7
145.02968	19.2
149.04643	0.6
160.01686	6.1
161.02393	0.7
163.04027	36.8
164.04459	0.9
168.06749	0.7
175.02504	1.9
175.04059	6.0
187.06425	2.4
193.05179	1.2
202.08809	3.8
205.07213	0.9
207.05199	1.2
231.05028	1.6
237.07733	3.2
249.06171	22.5
250.06656	1.3
267.07230	100.0
268.07581	4.8
270.52319	0.8
299.82376	0.8
304.52621	0.8
333.08124	1.9
351.10880	1.2
369.14764	0.7
395.09604	0.8
413.10782	42.5
414.10968	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	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
57.03454	100.0
59.01383	97.7
60.98970	1.3
69.17550	5.7
69.17963	1.8
71.01389	22.0
73.02950	10.4
78.95905	11.2
83.01399	5.0
85.02964	11.2
89.02448	4.6
89.32730	1.2
91.44088	1.3
95.01359	1.3
96.97013	1.6
97.02987	1.5
99.00877	2.4
99.04525	75.3
100.04876	3.0
101.02449	33.5
111.00925	1.6
113.02456	8.8
116.32240	1.2
119.03510	2.0
125.02457	28.2
129.10344	1.2
130.08751	1.4
132.02194	8.1
133.02991	1.4
134.03763	6.0
143.03516	3.0
149.06064	1.4
152.99605	19.3
160.01680	32.2
161.02097	2.1
161.04605	9.8
165.34134	1.3
175.04025	39.9
176.04330	1.6
179.07127	1.6
193.05072	5.9
207.06670	2.1
269.10324	26.8
277.12613	1.3
337.44791	1.3
381.13226	3.6
413.14542	27.8
413.27719	3.4
414.14847	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	34.9
59.01383	11.8
69.11803	0.9
69.12222	1.5
71.01383	4.7
73.02950	1.5
81.03459	0.6
83.01379	0.5
85.02981	2.4
95.01431	0.6
99.00867	0.5
99.04526	23.8
100.04874	0.7
101.02451	8.4
104.13947	0.3
107.05035	100.0
108.05376	3.2
113.02474	1.6
125.02454	10.8
126.02818	0.4
143.03517	0.8
149.04260	0.7
150.25447	0.4
161.04561	4.3
179.99200	0.3
184.82722	0.3
193.03386	0.4
203.05600	0.5
205.21213	0.4
243.08775	0.7
269.10422	0.9
311.11407	1.1
413.14655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1643
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
59.01384	2.5
71.01379	0.4
71.41838	0.2
72.81123	0.1
73.02937	0.3
79.95753	0.6
80.96531	0.9
85.02946	0.3
88.20437	0.1
89.02458	0.4
95.95268	0.2
96.96024	6.6
101.02441	0.2
104.21288	0.1
108.70010	0.1
112.41086	0.1
113.02464	0.2
155.37424	0.1
175.04024	0.1
178.76895	0.1
275.76215	0.1
301.18158	0.4
303.19675	0.2
327.12732	0.4
331.19107	0.3
367.12619	0.1
369.17493	0.3
385.64532	0.1
395.15405	0.6
396.15585	0.2
413.16425	100.0
414.16757	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.1
61.10771	0.5
61.98830	0.7
62.28202	0.6
64.09680	0.5
71.01392	1.6
73.02986	0.6
83.18925	0.6
85.02965	0.6
88.48660	0.5
89.02466	1.5
93.84763	0.5
96.96008	1.3
98.70414	0.5
101.02486	0.7
101.63966	0.5
111.00894	2.9
112.01231	0.6
113.02478	1.1
123.44098	0.6
136.76637	0.5
168.44048	0.6
178.44928	0.5
209.08218	0.8
413.16431	20.6
413.21524	1.5
414.16806	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.1
61.10771	0.5
61.98830	0.7
62.28202	0.6
64.09680	0.5
71.01392	1.6
73.02986	0.6
83.18925	0.6
85.02965	0.6
88.48660	0.5
89.02466	1.5
93.84763	0.5
96.96008	1.3
98.70414	0.5
101.02486	0.7
101.63966	0.5
111.00894	2.9
112.01231	0.6
113.02478	1.1
123.44098	0.6
136.76637	0.5
168.44048	0.6
178.44928	0.5
209.08218	0.8
413.16431	20.6
413.21524	1.5
414.16806	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87748	1.1
59.01379	1.1
65.32170	1.2
67.93892	1.2
68.70871	1.0
72.99329	3.2
84.23802	1.0
91.04005	1.2
97.06598	6.0
98.22609	3.4
125.06100	14.2
143.07159	58.0
151.11302	17.9
169.12357	100.0
170.12686	5.3
173.38853	1.1
195.10281	4.0
213.11328	17.4
287.15027	68.8
288.15295	4.9
303.62897	1.2
413.21689	7.4
414.22415	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56414	1.7
54.79731	2.1
59.01377	4.1
65.20145	1.7
66.03506	1.9
69.03456	1.6
69.09557	9.7
69.09961	4.1
70.44108	1.6
75.00872	2.4
81.99347	2.2
82.03001	4.0
83.02502	2.2
84.00906	2.7
84.04559	4.1
84.08204	2.0
85.04084	10.8
87.05618	4.0
91.05524	16.6
96.03309	2.4
97.04090	4.9
98.22693	3.4
101.07222	15.5
102.05625	28.0
105.01944	7.2
107.60465	1.7
111.05655	7.9
111.76616	1.7
112.02753	2.7
113.03590	54.7
116.05077	14.9
123.05675	10.0
125.07207	1.9
127.05140	6.9
128.05057	5.5
132.08238	13.5
141.06718	100.0
142.07002	2.6
143.11931	2.2
151.05145	2.3
153.10352	6.2
153.13945	1.9
154.06245	31.0
156.06906	2.0
158.06180	6.7
160.07745	3.9
166.06236	3.4
167.04619	4.1
167.11908	1.9
171.05681	2.2
171.09290	2.7
172.06519	2.3
175.08812	5.4
180.11389	9.9
181.13486	4.2
184.06512	2.4
185.07184	2.8
186.05542	2.3
186.07925	3.1
187.08723	4.0
189.10396	5.2
195.07877	2.3
197.07187	2.0
201.06679	4.8
203.08304	5.0
207.09003	2.1
209.06065	17.7
213.06723	3.8
214.07448	26.2
215.08281	48.0
216.08580	3.1
217.09860	16.7
225.12515	4.2
236.13939	2.0
243.14935	4.8
246.12492	77.9
247.12846	5.9
252.07730	3.8
253.08615	2.4
254.15117	5.8
255.15181	3.9
256.12207	4.9
271.14517	42.0
272.14893	4.9
277.16904	2.8
280.13000	3.7
284.14127	2.3
295.13367	17.0
296.13992	12.9
296.17502	3.6
299.15140	6.6
310.15704	14.5
339.18289	15.1
340.18655	2.0
354.20401	11.0
369.22961	79.3
370.23126	8.4
382.09360	7.9
413.21957	71.9
413.27554	3.4
414.22360	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	413.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90392	0.7
58.25931	0.6
59.01381	1.3
59.07265	0.5
61.98819	0.6
72.99290	0.7
82.02989	2.2
83.02490	0.9
84.04536	3.1
85.04086	2.9
91.05539	2.4
95.02486	0.5
101.07208	2.6
102.05621	4.9
102.07473	0.6
105.01952	12.4
110.02471	2.0
111.05674	3.5
113.03604	6.8
116.05077	2.8
117.03459	0.6
123.05687	3.4
124.02762	0.7
127.05142	2.6
128.05110	1.6
132.08226	2.0
138.07918	0.7
141.06718	100.0
142.07043	1.6
148.00508	0.8
150.01965	1.6
153.10379	4.7
154.06250	3.8
158.06142	1.2
160.07759	0.8
167.04642	5.8
171.09200	1.1
172.03928	0.7
175.08783	0.8
180.11452	2.9
182.04640	1.5
185.07217	0.7
186.08008	2.3
203.08234	2.2
213.06732	0.8
214.07504	20.5
214.09581	1.1
215.08257	13.4
216.08566	1.1
217.09874	2.1
228.09032	1.0
241.03810	2.2
243.15068	5.7
246.12485	6.8
254.15123	3.0
256.12155	1.6
259.10901	1.9
266.04703	3.1
271.14542	33.1
272.14838	3.2
294.07709	0.9
295.13272	1.5
296.13934	2.9
299.15256	1.0
310.03546	1.8
310.15622	1.6
328.96606	0.7
338.10403	1.1
338.18921	1.1
339.18210	3.0
354.20456	1.4
356.19611	0.7
369.23047	8.2
370.23145	1.0
382.09384	12.6
413.10419	1.1
413.21942	31.0
413.27536	1.5
414.12146	3.7
414.22455	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	414.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32621	1.2
59.01381	1.7
59.11107	1.2
61.98834	1.8
67.07192	1.2
69.03444	4.5
71.47546	1.0
79.01903	1.7
95.01414	2.0
96.95962	2.4
97.02958	2.0
107.01385	3.2
122.02530	2.3
125.02454	2.7
132.80386	1.7
133.01721	9.4
134.02498	100.0
135.00879	3.4
135.02808	3.1
150.01984	2.0
151.02766	1.7
161.01186	3.0
166.01488	3.5
181.03818	10.1
182.04616	3.2
186.00569	1.6
196.06007	1.5
203.00598	1.6
212.03513	4.1
213.04266	2.1
214.02751	2.6
232.01027	5.1
240.02989	5.3
241.03831	17.5
242.02202	4.2
242.08963	1.6
264.03595	3.0
265.65250	1.5
281.01736	2.4
285.02838	11.0
288.93939	1.2
300.05142	65.9
301.05551	5.0
317.05383	2.1
321.01572	2.7
323.02887	1.4
332.07751	83.2
333.08395	6.4
345.54407	1.3
354.05869	5.3
367.01688	3.6
367.05713	2.8
382.09274	7.5
395.56592	1.7
400.05106	6.3
414.06836	13.0
414.11957	2.6
415.06857	3.1
415.18069	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	414.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76737	0.6
59.01384	6.6
59.73752	0.7
61.98837	100.0
69.53634	2.7
71.01392	7.2
73.02962	2.0
80.01665	0.7
85.02939	1.2
87.00894	1.3
89.02460	6.3
97.03002	0.9
98.02528	0.8
99.00921	0.7
101.02461	2.5
106.20525	0.7
108.63008	0.6
113.02463	2.4
119.03607	0.9
122.03763	0.6
125.02514	0.8
145.05128	1.9
149.04553	1.1
152.07251	1.3
161.04593	1.8
166.52933	0.7
193.07500	2.2
208.09911	1.9
209.10368	0.6
247.65460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01379	3.5
61.98836	100.0
69.44617	0.7
69.45019	1.0
71.01391	2.6
72.97897	0.4
73.02957	1.1
85.02982	1.0
87.00890	0.9
89.02456	2.4
90.53416	0.4
95.01428	0.5
98.02475	3.4
99.00885	0.7
99.04521	0.5
101.02467	1.5
113.02513	1.0
119.03495	0.4
119.05029	0.5
120.05350	0.8
125.02476	0.8
137.02498	0.5
141.41998	0.4
152.07190	0.8
161.04576	0.9
163.03979	1.0
164.04395	0.5
205.08768	0.7
216.96127	0.5
217.77406	0.5
227.56297	0.4
232.18388	0.4
234.07848	1.0
235.08305	0.6
252.08752	3.1
350.56842	0.4
374.54800	0.4
414.14197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
61.98837	100.0
69.29877	3.7
71.01388	7.8
73.02953	2.9
84.81796	0.8
85.02959	1.9
87.00880	2.8
88.04026	0.8
89.02445	6.8
97.02957	1.1
98.02486	1.2
101.02449	1.9
104.27905	0.8
108.04570	1.3
108.87880	0.8
113.02488	1.9
118.03027	4.2
119.03348	2.8
119.05023	2.7
120.05418	1.0
135.04590	0.9
144.04549	3.2
145.04987	5.0
149.04538	0.9
152.07127	1.8
159.55959	0.8
161.04529	2.6
162.05621	3.7
163.04042	2.5
163.06027	4.1
164.04404	0.8
169.72458	0.7
188.03560	5.1
189.03868	5.9
192.94820	0.9
233.05777	1.4
235.08269	1.1
367.12421	0.8
414.12222	7.2
414.23550	1.1
415.12347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04480	6.1
59.01382	100.0
60.01708	7.2
71.01385	29.8
71.72357	5.2
73.02956	5.9
79.16750	4.6
83.01368	6.7
83.05030	5.9
85.02987	7.4
89.02448	19.6
96.95958	9.1
101.02449	17.9
113.02454	18.8
125.02447	8.8
149.99635	5.9
164.42477	5.2
168.00772	6.2
172.04117	8.3
199.13483	6.7
222.16470	6.3
226.58972	6.1
262.24246	6.7
365.99957	5.7
415.18091	50.2
415.23123	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	414.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09459	16.2
59.01377	100.0
60.41238	17.0
69.28084	85.5
71.01374	45.0
71.18127	14.4
73.50447	21.1
74.75476	16.8
86.03318	15.2
89.02463	18.4
99.62272	17.0
101.02431	24.6
109.02946	50.3
131.29305	15.4
132.89186	15.5
134.03642	22.7
140.84953	13.9
145.96416	14.6
153.01970	38.7
175.03967	25.7
180.92929	16.7
186.13480	15.6
202.71582	14.9
250.00862	17.3
284.02176	23.9
297.79382	17.0
316.04620	30.6
415.19385	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	415.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	75.1
59.45257	4.5
69.30936	4.7
70.41315	8.1
71.01387	22.8
73.02949	42.3
75.00885	14.0
82.52859	5.3
89.02467	5.6
94.81696	4.4
101.02455	12.1
122.96841	5.2
126.99568	8.2
167.06331	100.0
168.06738	4.7
171.10271	7.8
181.00595	9.8
185.07198	64.6
209.07288	5.6
211.05356	15.8
225.06889	55.2
242.09448	26.1
253.06364	17.9
265.06348	13.5
280.92551	4.9
283.07516	12.0
308.97980	5.8
310.05341	6.4
341.23300	18.7
346.02948	7.0
371.15427	25.1
415.05972	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	415.1611
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.30949	0.7
55.01878	6.7
57.03443	6.1
58.00603	1.0
59.01383	57.3
62.20543	0.7
69.03462	2.1
69.17173	1.1
69.17579	3.4
71.01385	100.0
72.01731	1.4
72.99298	1.8
73.02950	42.7
75.00885	2.1
81.03464	2.2
83.01386	12.5
85.02957	44.4
86.03307	1.0
87.00906	4.2
89.02450	26.3
95.01411	6.5
97.02965	6.1
99.00885	15.4
101.02447	66.0
102.02785	1.4
111.00911	1.7
113.02458	33.3
115.04037	3.2
119.03513	3.0
125.02460	7.7
127.04073	0.9
129.01915	2.2
131.03497	6.0
134.02492	3.5
135.02823	2.7
135.04544	1.1
143.03531	5.6
149.04556	5.0
159.03006	8.1
161.04576	57.9
162.04939	1.9
179.05511	0.9
191.05634	3.1
203.10475	0.7
203.87851	0.7
230.48573	0.8
233.06673	6.8
242.04190	1.0
283.11890	64.5
284.12164	5.5
293.08832	2.1
328.81815	0.8
333.08081	2.2
335.08688	1.3
415.16113	86.1
416.16446	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74748	1.1
55.01879	9.9
57.03456	7.4
58.00594	1.4
59.01384	62.4
61.98819	1.3
69.03456	3.1
69.41258	5.0
71.01385	98.1
72.01716	1.1
72.99313	1.5
73.02949	49.9
75.00861	2.8
77.60503	1.0
81.03443	1.9
83.01391	16.5
85.02954	46.3
86.00101	1.4
87.00882	6.1
88.00301	1.1
89.01945	1.6
89.02451	23.9
93.47282	1.2
95.01395	8.2
97.02950	6.2
99.00889	19.8
101.02449	85.8
109.02973	1.3
111.00872	1.6
113.02458	39.4
114.02830	1.2
115.04012	5.0
119.03518	2.4
125.02460	7.6
129.01921	2.6
131.03491	5.2
143.03503	5.7
149.04543	5.1
151.03944	1.3
159.02991	8.2
161.04568	56.0
162.04924	1.7
180.03026	1.1
191.05609	2.7
210.55103	1.2
211.49832	1.2
233.06633	10.0
283.11884	100.0
284.01877	1.3
284.12283	8.2
285.02301	2.7
293.08746	3.4
316.04575	1.5
317.04953	5.3
415.16086	87.6
416.16394	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.21343	0.7
51.62807	0.6
56.99812	0.6
57.03445	1.6
58.00599	1.6
59.01382	99.4
60.01731	1.1
69.03465	0.8
69.33864	3.9
71.01385	58.3
72.01718	1.0
72.99296	1.2
73.02949	21.9
83.01390	2.3
85.02956	7.7
87.00879	0.8
89.02451	100.0
90.02792	1.4
95.01344	1.7
97.02947	1.9
99.00890	30.3
101.02450	34.6
102.02790	0.9
109.02982	6.6
113.02452	10.9
119.03508	6.2
125.02476	4.4
131.03513	16.9
134.02473	1.0
135.02824	1.3
143.03485	1.4
149.04572	44.9
150.04910	1.2
156.02682	0.7
161.04564	2.8
179.05554	1.9
180.06197	0.8
191.05635	13.5
221.06583	1.6
225.75156	0.8
251.07600	2.4
259.17822	0.7
283.11853	1.6
304.38947	0.8
415.16125	6.1
416.16031	0.8
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	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	2.5
57.03451	2.9
58.00595	2.3
59.01384	100.0
60.01717	1.4
61.98839	1.4
66.25295	1.3
69.03456	7.8
71.01388	90.3
71.44976	2.0
73.02952	14.6
74.54307	1.2
75.00866	4.0
81.03458	4.8
83.01392	7.8
85.02965	15.0
87.00893	3.9
89.02453	99.7
90.02782	2.7
95.01412	3.2
97.02958	12.3
99.00896	15.6
99.04525	2.6
101.02449	23.2
106.04292	2.2
106.07138	1.5
111.00850	2.2
113.02470	12.7
115.04021	9.8
119.03491	4.3
121.03019	1.8
121.06612	68.3
122.06896	2.2
125.02460	43.5
127.04006	1.9
129.83313	1.3
131.03517	14.2
141.19928	1.4
143.03488	5.2
149.04568	14.1
158.55478	1.3
161.04601	6.4
164.03568	1.6
175.05945	1.7
186.46506	1.4
191.05568	8.6
233.06680	36.7
266.46924	1.6
293.08801	34.7
294.09088	2.8
299.64807	1.4
322.83737	1.6
415.18668	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	415.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03451	2.9
58.00595	2.3
59.01384	100.0
60.01717	1.4
61.98839	1.4
66.25295	1.3
69.03456	7.8
71.01388	90.3
71.44976	2.0
73.02952	14.6
74.54307	1.2
75.00866	4.0
81.03458	4.8
83.01392	7.8
85.02965	15.0
87.00893	3.9
89.02453	99.7
90.02782	2.7
95.01412	3.2
97.02958	12.3
99.00896	15.6
99.04525	2.6
101.02449	23.2
106.04292	2.2
106.07138	1.5
111.00850	2.2
113.02470	12.7
115.04021	9.8
119.03491	4.3
121.03019	1.8
121.06612	68.3
122.06896	2.2
125.02460	43.5
127.04006	1.9
129.83313	1.3
131.03517	14.2
141.19928	1.4
143.03488	5.2
149.04568	14.1
158.55478	1.3
161.04601	6.4
164.03568	1.6
175.05945	1.7
186.46506	1.4
191.05568	8.6
233.06680	36.7
266.46924	1.6
293.08801	34.7
294.09088	2.8
299.64807	1.4
322.83737	1.6
415.18668	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	415.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.5
60.79870	0.3
61.98829	0.3
71.01389	0.6
73.02945	0.5
79.95734	1.3
85.02958	0.6
89.02460	0.6
96.96027	5.5
101.02453	0.6
113.02465	0.5
141.06766	0.3
142.02049	0.3
152.98634	0.5
158.38153	0.4
163.87497	0.3
171.10223	0.6
205.05063	0.6
211.13405	0.8
237.68221	0.3
240.97766	0.3
320.75027	0.3
327.21793	1.7
383.09750	0.4
389.31607	0.3
397.16977	0.3
415.17999	100.0
416.18307	12.3
416.22946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98825	0.2
65.47186	0.2
69.17355	0.4
69.17758	0.7
71.01422	0.2
79.95745	1.2
80.96512	0.4
90.10339	0.2
95.95238	0.4
96.96016	5.9
98.22838	0.1
126.85649	0.2
128.67450	0.2
133.21132	0.2
133.74330	0.2
152.98654	0.2
165.33907	0.2
327.21823	0.2
365.07941	0.2
383.09732	0.3
397.16937	1.4
415.17975	100.0
416.18298	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	415.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.2
59.01382	2.5
61.98842	1.0
62.70713	0.1
71.01380	1.0
73.02961	0.4
79.95747	0.7
80.96507	0.3
83.08804	0.1
85.02975	0.5
87.04528	0.2
89.02448	0.7
96.96011	3.1
99.86370	0.2
101.02441	0.8
113.02456	0.5
119.03559	0.3
150.00867	0.2
152.98624	0.3
161.04578	0.3
190.99304	0.2
191.14662	0.2
254.94850	0.2
255.02997	0.5
276.44843	0.1
283.02466	0.8
355.15698	0.2
369.14120	0.2
397.17242	0.5
415.17978	100.0
416.18283	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	415.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00659	1.5
58.02978	3.6
59.01371	5.7
62.72734	1.5
66.03499	1.5
69.41187	6.2
69.41546	2.4
71.01377	3.7
73.04066	2.9
74.02478	31.4
82.02995	3.6
82.06631	2.1
84.04561	2.0
87.00933	1.6
88.04073	2.9
89.02477	1.9
94.44521	1.4
101.02453	1.9
101.07222	21.2
109.04097	10.7
112.02799	5.9
112.04041	2.3
113.03603	1.6
115.08800	1.6
116.07193	4.6
120.30386	1.4
125.03531	2.8
126.05614	4.2
127.05151	44.6
127.26765	1.5
128.03528	1.9
129.10359	28.9
139.08757	3.1
140.07185	5.8
141.06737	4.3
145.06207	49.5
155.08318	4.2
167.27740	1.4
173.09325	10.9
180.10315	6.7
183.15131	2.0
195.11421	1.9
197.12935	3.2
207.15021	2.0
211.14606	1.7
214.19205	1.4
222.12482	3.1
223.10965	3.5
240.13521	2.2
242.18765	16.0
251.14063	2.2
278.18793	3.5
340.18704	4.4
353.21909	4.9
397.20932	48.4
398.21265	6.9
415.22006	100.0
416.22235	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	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26017	0.2
74.99104	6.2
77.00674	73.8
78.01014	0.6
82.38396	0.3
93.24502	0.2
98.21819	0.5
147.08174	2.1
149.09770	1.5
160.08931	0.4
161.09737	0.9
163.11322	2.5
187.11293	2.2
203.10843	0.4
216.82619	0.2
219.07648	0.3
265.12186	0.7
279.13907	1.0
280.14670	0.8
307.17044	0.5
309.22263	2.4
310.22763	0.3
321.18542	0.6
322.19354	0.7
337.21753	100.0
338.17999	0.6
338.22110	12.6
354.69397	0.3
363.45578	0.3
415.23166	12.6
416.23367	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	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01383	100.0
60.01705	1.1
61.46894	0.4
63.18961	0.5
71.01386	4.0
73.02950	1.4
83.15286	0.5
85.02979	1.5
89.02458	2.6
89.66463	0.4
94.07988	0.5
96.96027	0.7
98.22707	1.1
101.02460	2.7
111.00916	0.5
113.02477	1.8
113.61305	0.5
119.03524	0.7
161.04607	0.9
207.01778	0.6
222.04179	0.6
272.54037	0.5
364.59079	0.5
373.22534	1.1
377.86658	0.5
415.17883	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	415.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52312	2.2
56.27390	2.2
59.01381	7.4
61.98841	2.7
77.42860	2.1
82.06612	3.7
84.02177	3.1
85.04076	6.4
87.05630	2.9
89.02425	2.4
91.05566	3.7
98.81879	2.2
101.07217	7.5
102.05670	2.8
112.02813	7.4
113.03572	10.1
113.06516	2.4
116.02089	2.4
127.05189	4.3
141.06731	24.7
143.11903	19.3
146.06143	4.6
156.07785	9.1
160.07668	2.6
169.09843	6.8
172.10938	5.7
174.36565	2.4
186.05605	6.8
188.07199	2.4
194.31206	2.6
197.12987	4.2
201.10350	3.0
203.08270	3.2
217.09810	10.1
228.17224	26.5
248.14088	4.9
265.16711	3.9
271.10873	11.1
273.15991	12.9
279.18323	2.7
341.19748	3.1
341.23428	8.9
359.05652	2.3
362.97174	2.3
371.24515	9.4
415.23471	100.0
416.23914	11.9
431.91290	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07931	1.9
62.78549	1.6
69.38621	7.3
74.78467	1.4
77.00635	2.1
88.93312	1.7
98.22572	3.2
142.25195	1.9
152.12459	1.7
169.33334	1.9
279.26953	100.0
280.27222	8.8
281.89786	1.8
282.27615	2.0
297.28021	2.8
323.22107	2.8
323.25940	51.2
324.26208	4.9
337.21674	3.3
341.27008	99.8
342.27271	10.4
415.30673	43.3
416.31091	7.2
434.09610	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	416.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.8
60.13828	0.6
61.98835	100.0
69.30041	2.4
69.30448	1.4
73.98287	0.6
91.49745	0.6
93.96143	0.6
99.18153	0.7
110.41915	0.6
119.46877	0.6
120.57343	0.6
150.62497	0.7
164.47528	0.6
191.29666	0.6
269.03708	0.7
282.39798	0.7
297.24442	0.8
309.72632	0.7
404.78201	0.6
417.10739	1.0
418.49289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56358	14.9
53.68349	13.5
54.76762	13.5
59.01382	100.0
60.67020	15.4
61.14890	14.4
64.15276	14.0
71.01386	53.0
71.41479	14.4
71.41956	16.3
73.02946	17.6
85.02978	24.8
89.02448	36.1
95.46843	15.7
97.03001	15.9
98.06292	13.9
101.02456	29.1
119.67810	15.0
143.03015	14.5
145.48604	15.5
167.06161	21.4
226.83755	17.9
236.08368	16.5
252.06995	17.9
263.72391	16.0
266.09332	24.8
294.08844	38.6
356.08902	71.7
416.20688	19.7
417.19864	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
69.22526	2.3
76.92766	0.4
108.56375	0.4
112.77933	0.4
118.02953	0.8
120.00890	0.5
126.90514	0.4
136.04053	2.5
138.00246	3.3
146.02486	1.8
148.00420	14.2
152.03482	2.0
162.99741	11.4
164.98911	7.5
165.00659	2.7
171.02013	2.4
172.02817	5.0
177.99725	2.1
180.01292	1.6
180.03038	6.7
182.53517	0.5
189.98451	5.7
194.04721	0.5
195.05383	4.0
205.00786	93.6
205.99142	3.5
206.01083	3.9
222.04082	1.0
242.31712	0.4
283.01907	1.4
284.00140	2.4
294.04044	2.1
298.01691	2.3
299.02408	0.9
311.01401	2.6
311.99680	0.9
326.03662	1.8
327.02222	2.6
327.06058	0.4
328.01584	0.5
342.04410	5.0
343.04391	0.5
355.00357	4.2
370.02692	6.1
371.03275	0.9
385.05026	100.0
386.05331	11.0
387.02954	1.5
402.05362	2.1
403.05579	0.5
417.07654	26.7
418.07944	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	417.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
59.22665	0.9
69.13755	5.9
102.61864	1.1
136.98970	1.0
139.31400	1.1
151.00398	3.5
166.02742	4.1
181.05107	5.9
183.04526	1.1
226.96982	1.0
227.03525	78.6
228.03905	6.0
255.03012	97.1
256.03598	13.1
257.04236	1.4
284.03299	82.3
285.04004	30.7
286.04449	1.5
387.10748	2.2
402.12946	1.3
417.08316	100.0
418.08649	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	417.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
68.05037	0.5
69.68657	1.8
69.85922	0.6
71.01384	2.4
73.02959	1.3
79.27779	0.5
85.02953	0.6
89.02437	0.8
98.22690	0.6
108.02180	60.8
109.02982	25.3
109.03570	0.4
110.03292	0.7
123.04565	0.8
135.79688	0.5
144.24619	0.6
151.04034	1.8
152.01164	100.0
153.01718	3.8
163.04013	3.2
179.03598	0.7
201.73129	0.6
241.07220	4.3
285.06290	1.0
340.16263	0.5
342.81943	0.6
390.36166	0.7
417.10413	94.4
418.10779	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	417.1557
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
53.15445	0.1
59.01371	0.7
60.43425	0.2
67.01901	0.2
68.99792	0.2
69.03444	0.2
71.01385	0.6
79.01907	0.2
81.03499	0.3
84.02180	0.4
85.02985	0.4
89.02471	0.3
90.06364	0.2
93.03485	0.3
95.01391	1.1
95.05009	0.5
97.02965	0.2
101.02423	0.2
107.05046	0.4
108.02174	0.3
109.02963	3.8
111.00877	0.5
113.02411	0.2
121.02963	0.9
121.06622	0.3
122.03733	0.2
122.99992	0.3
123.00896	4.3
123.04524	0.8
124.01687	0.6
125.02442	1.3
127.26644	0.2
131.05034	0.4
132.90532	0.2
133.02936	0.5
133.06607	0.2
134.03818	0.2
136.01700	0.5
137.02458	14.2
138.03108	0.6
139.00380	0.3
139.04039	0.8
145.03000	0.3
147.04535	0.5
149.02457	1.7
149.06097	0.4
150.03242	0.5
151.00383	27.9
151.03973	1.6
152.01180	2.5
152.04817	4.4
153.05522	0.5
159.04546	0.6
160.05321	0.3
161.02434	0.4
161.04649	0.2
162.03239	0.5
163.04013	0.7
164.04814	0.3
165.01910	1.2
166.02728	67.4
167.03416	5.0
174.03145	0.3
175.04016	1.5
175.07669	0.2
176.01219	0.3
176.55330	0.2
177.01938	3.6
177.05493	0.3
178.02652	0.6
179.03497	0.8
179.07089	0.3
180.04413	0.2
181.05080	100.0
182.05414	5.2
184.03793	0.4
188.04843	0.4
189.05579	0.3
190.02739	0.7
190.06351	1.3
191.03488	1.3
192.04314	1.7
193.05077	0.9
195.03006	1.0
202.02679	0.2
203.03508	0.5
204.04222	0.3
205.05118	1.2
205.08713	1.9
206.05838	0.2
206.08743	0.2
207.06644	1.6
209.04494	0.3
210.77452	0.2
217.05145	0.3
218.05988	0.2
219.06621	0.6
220.07419	0.4
221.04742	0.2
230.09579	0.2
233.08240	0.3
243.06717	0.2
249.07632	0.2
255.10402	0.3
258.08997	0.2
271.06152	0.2
301.07181	0.9
314.07895	0.3
316.09619	0.3
329.10391	0.5
339.08899	0.3
356.12604	0.5
357.09872	0.6
359.11380	2.5
360.11676	0.3
369.09854	0.3
371.14966	0.9
372.08508	0.3
377.85248	0.2
387.10873	15.9
388.11160	1.7
402.13217	13.9
403.13611	1.5
414.56308	0.2
417.15576	29.8
418.15881	4.1
418.20575	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	417.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
81.04285	1.7
103.01513	88.1
125.87401	3.4
129.06351	1.6
214.67133	1.6
272.14948	1.9
291.19717	6.0
319.15598	2.2
402.76443	1.8
417.07013	7.5
417.19797	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	417.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46141	23.4
54.44078	24.4
55.45516	25.5
55.46664	25.3
55.47905	22.2
59.01371	33.8
69.88045	56.9
166.01433	27.0
171.10397	50.5
192.03136	27.1
225.14890	25.9
225.91591	24.9
234.32321	24.0
236.81189	24.4
250.59134	27.1
254.59215	25.9
309.57510	27.2
331.78986	25.0
343.24789	100.0
390.08282	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01457	0.7
67.67153	0.9
69.55089	1.6
69.55475	1.5
72.99313	6.3
74.34884	0.7
75.97459	0.7
97.06596	7.2
98.21886	1.4
125.06096	53.8
126.06386	1.6
143.07150	79.6
144.07460	3.0
150.10486	1.4
165.12849	22.2
166.13191	1.2
174.29811	0.8
191.14314	1.2
247.20729	11.4
259.68472	0.9
273.18573	5.3
291.19669	100.0
292.20026	9.2
417.26523	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	418.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04303	1.1
57.03447	11.8
59.01386	100.0
61.98836	3.1
62.62294	0.9
71.01389	9.7
71.41322	1.2
73.02960	2.8
85.02962	4.6
87.00918	1.5
88.01231	1.0
89.02465	5.0
93.03471	2.1
97.70376	1.0
99.00868	2.1
99.04521	5.6
99.47700	1.0
101.02459	7.6
108.02224	1.3
111.00878	2.5
111.86350	1.1
112.04070	20.9
113.02482	10.0
119.03542	1.6
125.02454	3.9
149.01212	17.7
159.03000	1.6
161.04628	7.9
162.19513	0.9
181.03816	13.2
191.05635	2.2
196.06187	29.2
233.35771	1.1
239.09309	1.5
275.07751	1.5
287.10654	1.1
337.09344	2.1
348.83435	1.2
375.16647	1.2
418.10620	1.5
439.44080	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	20.7
59.01386	100.0
61.98821	5.3
71.01391	13.5
71.42326	1.8
73.02943	4.9
73.04079	1.9
83.01378	2.3
85.02957	6.9
89.02438	7.8
99.00900	2.9
99.04534	13.8
101.02466	9.4
109.03002	2.0
111.00894	6.0
112.04058	42.8
113.02475	15.3
119.03464	3.2
125.02455	6.9
129.06383	2.1
149.01195	14.3
152.01149	2.2
161.04591	10.4
179.05673	2.5
181.03853	13.2
193.41364	1.9
196.06160	29.3
277.78741	1.8
366.91028	1.9
369.94449	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	418.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.7
58.03763	0.9
59.01387	9.2
71.01396	4.7
73.02958	2.8
85.02963	1.4
86.15667	0.7
89.02435	1.4
99.04529	3.8
100.04871	1.0
101.02498	3.6
113.02458	2.2
124.04020	0.7
125.02406	0.9
127.99640	0.6
131.01431	0.8
132.73981	0.6
135.67645	0.6
152.03526	1.3
161.04642	0.8
188.95779	0.7
200.08467	0.7
203.62474	0.7
211.04112	0.7
213.05641	1.2
225.05544	0.7
228.24315	0.7
229.05022	0.9
239.03571	4.2
241.05049	1.7
242.02245	4.7
243.06575	0.9
254.05879	2.2
255.06665	1.3
256.03696	1.2
256.07422	1.7
257.04559	6.4
259.09738	2.4
269.04590	12.5
269.08057	1.1
270.04944	1.5
271.06076	2.3
272.06937	6.2
273.07599	1.1
283.06143	1.6
284.06949	10.7
286.07294	0.9
287.09262	7.3
288.09692	0.8
296.05511	1.0
299.09259	20.5
299.12482	1.4
300.09299	2.0
311.07965	0.8
314.06726	23.6
314.11823	1.2
315.07047	2.8
326.10361	1.0
328.08435	1.5
328.98227	0.7
329.09100	14.5
329.13742	0.9
329.14490	0.9
330.09521	0.8
344.11404	100.0
345.11740	9.8
359.13766	81.5
360.14090	9.1
374.16101	41.5
375.16461	4.4
418.21521	3.6
419.22864	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03784	1.5
59.01384	44.4
61.98823	1.7
69.37980	6.3
71.01392	19.0
72.99324	1.7
73.02953	4.4
75.00862	1.7
76.42107	1.3
76.75733	1.1
79.39647	1.2
81.03461	1.5
83.01421	2.5
85.02953	16.7
87.00892	2.2
89.02464	10.2
92.78683	1.3
98.21999	2.7
99.00906	3.0
99.04531	57.3
100.04824	1.5
101.02453	21.6
111.00901	8.2
111.01938	1.4
113.02463	82.2
114.02727	1.9
118.98106	1.2
119.03542	2.8
124.17876	1.4
125.02460	19.0
127.08811	1.1
133.10274	2.3
149.04601	1.7
155.03511	2.3
161.04568	15.1
171.07744	2.0
183.06717	1.2
196.13336	1.2
196.41553	1.1
203.05725	1.9
221.73186	1.2
239.09285	9.7
257.06735	3.7
275.07770	11.5
307.05627	1.1
317.08926	5.7
357.11951	1.6
375.16895	2.8
385.74860	1.3
389.70218	1.3
419.19858	5.7
420.20044	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	419.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
58.03786	2.0
59.01382	21.2
60.78786	1.1
69.37966	5.0
71.01389	13.5
73.02961	3.8
83.01392	1.4
84.12012	1.0
85.02963	8.9
89.02450	2.8
99.00903	1.7
99.04530	44.1
101.02452	19.1
106.19099	1.0
111.00901	3.2
113.02461	77.7
114.02779	2.1
122.03735	1.1
125.02460	15.0
143.03459	1.2
155.03493	3.5
161.04576	9.7
179.03566	1.3
180.18170	1.0
184.40833	1.0
203.05658	1.6
239.09248	2.2
243.08623	1.3
257.06735	3.3
271.70523	1.1
275.07785	12.9
276.07925	1.1
317.08875	6.6
357.11844	1.1
419.19238	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	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45484	0.7
55.01871	1.0
57.03451	1.7
59.01384	100.0
69.27576	2.1
69.27985	2.0
70.54540	0.6
71.01387	42.8
71.05027	12.2
72.66113	0.7
72.99298	1.1
73.02956	6.0
73.13260	0.8
83.01402	2.9
85.02944	7.5
87.00895	1.5
89.02445	10.2
93.03466	10.3
95.01421	1.3
97.69135	0.7
98.22729	0.8
99.00841	1.5
101.02448	16.3
102.02831	0.7
113.02461	7.8
113.06110	2.6
118.38522	0.7
119.03498	3.4
125.02583	0.7
125.06106	3.5
131.07164	4.2
137.02452	14.4
143.07150	69.6
144.07521	2.3
155.03508	2.5
159.03015	1.2
161.04602	2.9
198.05615	1.6
213.05527	1.1
215.12878	2.1
228.05409	1.8
243.07684	1.6
266.07001	1.0
273.04675	1.0
275.11313	3.6
281.09311	0.9
283.96777	0.9
293.12457	18.5
299.10349	4.0
305.16022	2.3
316.79233	0.8
347.17163	18.5
348.17334	2.2
359.17218	4.6
366.47018	0.8
375.20306	1.2
377.18204	30.8
378.18713	3.0
401.17877	1.6
419.19266	53.6
420.19571	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	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03449	2.0
59.01386	100.0
60.01720	1.9
61.98846	3.3
67.96143	0.5
69.36411	1.2
69.36799	2.7
71.01389	33.6
71.05029	11.7
72.01743	0.8
73.02949	4.9
83.01405	2.8
83.05038	0.8
85.02955	6.9
85.06612	0.7
87.00904	1.5
89.02456	17.7
93.80986	0.6
95.01395	1.1
95.12302	0.6
99.00896	5.2
99.04495	0.9
101.02459	15.2
113.02463	9.0
113.06117	0.8
119.03524	7.4
125.06074	3.3
131.03523	1.1
131.07164	2.1
137.02417	1.4
142.04085	1.0
143.07158	73.4
144.07495	1.9
147.03249	1.2
148.04044	1.6
149.04825	1.5
159.03107	0.7
161.04549	4.8
176.03606	1.2
179.05708	1.2
197.11812	2.3
212.04726	1.2
215.12923	1.8
239.12927	2.7
240.09154	0.9
241.09822	1.0
271.11026	1.0
275.11362	1.7
281.09381	2.8
293.12463	9.2
299.10345	1.6
305.16269	0.8
319.17581	3.4
347.17157	14.0
348.17197	0.9
359.17029	4.3
370.48901	0.7
375.11499	0.8
377.18225	27.8
378.18463	3.4
401.18121	1.3
419.10925	8.1
419.19193	35.4
420.11322	1.7
420.19504	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	419.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05323	78.9
50.49003	87.1
51.30267	84.4
51.60321	61.1
55.46373	83.3
56.29668	70.6
59.01361	84.3
62.85543	78.8
71.15321	71.4
73.93416	75.8
77.31253	77.8
77.61370	71.2
77.86121	75.8
112.19533	76.8
129.85712	73.3
150.05951	79.9
210.15930	80.4
419.10971	93.4
419.17059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87930	1.7
53.28449	1.6
54.17123	1.9
59.01385	100.0
61.98824	3.5
67.31789	1.7
69.60480	7.5
71.01404	2.9
86.99557	1.5
96.96008	1.8
97.02991	1.6
101.02426	2.6
118.60294	2.0
153.12889	1.9
155.10739	2.3
169.56071	1.8
227.00021	2.1
359.23761	3.2
359.28030	37.5
360.28311	3.1
373.04810	2.3
419.26596	2.3
425.07791	1.9
442.17538	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	420.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.66677	1.3
71.40359	1.6
90.88644	1.6
104.14243	1.5
111.00875	2.2
113.45778	1.4
119.72460	1.6
172.44646	1.5
184.39275	1.6
374.02481	1.5
421.15530	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	420.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01729	0.6
61.98844	0.7
62.81375	0.4
69.69810	1.0
69.70202	0.8
71.01398	1.2
73.02976	0.5
83.80072	0.4
89.02451	0.8
95.16707	0.4
96.24519	0.4
99.00846	0.5
101.02496	0.6
113.02447	0.6
118.98126	0.4
135.08185	0.4
137.42842	0.4
150.84236	0.4
153.09277	0.7
159.87952	0.4
164.54919	0.4
165.09250	0.4
181.80270	0.4
259.15637	1.0
266.15649	0.4
312.16125	1.5
330.17239	0.4
360.18271	0.8
361.18692	0.4
383.15631	0.6
384.16254	0.5
420.20135	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	421.1145
Annotation	Amburoside A
Peak:m/z	Relative Intensity
57.03456	0.9
59.01386	6.2
59.32488	0.8
62.94220	0.7
65.03930	1.1
67.01904	1.5
69.22476	5.4
69.22813	0.9
71.01392	4.0
73.02957	2.9
83.01395	1.6
85.02963	2.5
85.39049	0.9
89.02460	1.2
91.01892	3.2
93.02870	1.5
93.03468	30.5
97.06587	0.8
98.21919	2.2
101.02467	3.7
109.02962	62.7
110.03285	1.9
113.02447	1.9
115.07668	2.1
121.02972	28.8
122.03333	0.9
135.00905	18.8
153.01961	6.7
161.04524	1.3
173.06107	2.5
193.62105	0.9
197.06120	3.0
213.05716	1.1
215.07143	21.7
241.05104	12.8
242.05678	1.0
258.05368	2.6
259.06104	7.9
286.30719	0.9
289.16653	3.6
303.71957	1.0
403.10266	2.5
414.96051	1.0
421.11432	100.0
421.20749	4.6
422.11838	9.3
422.19965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1635
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
57.03447	4.4
59.01373	18.9
67.77769	4.3
69.39220	21.2
71.01395	11.9
73.02943	5.4
78.55514	4.2
82.10146	4.1
85.02992	4.7
91.72708	4.7
98.21878	6.6
98.76949	4.4
101.02406	5.0
115.14018	4.5
133.07355	4.4
155.10825	5.2
263.88318	4.4
340.18817	4.7
421.16284	100.0
422.16473	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	421.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14677	1.5
52.40759	1.1
55.01880	1.9
55.45547	1.1
57.03451	50.1
57.34278	1.2
58.02967	2.6
59.01383	80.0
67.00828	1.3
69.03442	1.8
69.63218	5.1
70.02985	12.6
71.01388	27.6
71.05025	15.9
73.02956	11.9
74.02505	1.3
75.33727	1.2
80.45968	1.2
81.03483	1.9
83.01393	8.4
85.02956	9.2
85.06602	2.7
87.00867	1.5
87.05651	5.7
89.02454	18.2
90.26662	1.1
91.03436	1.2
95.01397	2.3
96.04559	4.2
97.06588	2.7
99.00924	2.0
99.04528	45.7
101.02446	37.1
113.02466	12.8
115.05122	1.6
116.07162	2.7
119.03516	5.6
123.04543	4.8
125.02460	12.6
129.05676	1.8
130.03342	7.7
130.08740	2.5
131.03595	1.5
143.03561	3.5
146.08244	72.8
147.06003	3.9
147.08618	2.4
161.04608	8.0
164.04823	1.7
171.13850	1.3
179.05640	1.5
187.09750	1.6
215.12912	6.0
216.06734	4.9
217.11974	17.6
223.06177	3.1
230.08148	1.2
241.14542	3.8
250.15738	1.2
277.12289	100.0
278.12653	4.5
282.74277	1.3
289.13071	2.2
319.13766	2.7
325.13504	1.3
340.15314	2.0
377.18155	15.3
404.18552	2.4
404.24448	5.2
421.20914	53.5
422.20480	7.4
422.27258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
57.03454	68.1
58.02979	2.0
59.01385	84.6
69.73617	1.3
70.02991	10.5
71.01389	33.2
71.05021	14.8
71.41352	1.5
72.99308	1.2
73.02956	15.0
73.98302	1.3
81.03480	1.4
83.01381	7.1
85.02948	8.9
85.06571	1.4
87.00899	1.6
87.05643	5.8
89.02452	15.1
95.01374	2.1
96.04568	3.0
99.00871	2.6
99.04527	56.9
99.05175	2.8
101.02453	42.6
108.09184	1.4
113.02460	11.9
115.05134	1.2
116.07175	2.0
117.86720	1.5
119.03505	5.1
123.04520	6.6
125.02470	18.5
129.05580	2.4
130.03325	9.2
143.03505	2.3
143.07123	2.2
146.08250	76.0
147.05989	3.1
147.08577	1.8
149.02367	1.4
149.04613	1.7
152.58000	1.3
161.04555	6.1
165.05576	2.2
177.99078	1.2
187.09764	1.9
208.03622	1.9
215.12848	6.0
216.06602	4.9
217.11926	18.9
223.06213	2.1
227.32697	1.2
277.12308	100.0
278.12561	5.8
289.12775	1.9
319.13834	2.5
361.14618	1.6
377.18207	19.0
378.18402	1.8
404.24203	3.3
421.21011	39.7
422.21042	3.7
422.26691	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06337	0.9
55.01880	8.9
57.03173	1.0
57.03452	7.0
59.01383	52.1
69.03446	3.1
69.21745	4.9
69.22150	2.1
71.01386	100.0
72.01703	1.3
73.02950	52.1
74.03309	1.0
75.00852	3.0
80.81325	0.9
81.03445	1.6
83.01390	14.7
85.02954	49.7
86.03287	1.0
86.37503	0.9
87.00878	4.2
89.02450	26.3
95.01396	8.8
97.02956	6.7
99.00275	1.5
99.00888	23.7
101.02449	73.1
103.37544	1.0
111.00865	2.0
113.02460	36.4
115.04006	3.0
125.02454	8.7
127.11279	2.5
129.01970	2.2
131.03526	6.3
140.61395	1.1
141.06693	1.0
143.03503	5.3
149.04538	3.8
159.03018	8.9
161.04568	44.6
162.04887	1.7
191.05637	2.3
233.06677	8.5
289.16583	75.1
290.16943	6.5
293.08759	3.5
342.64926	1.2
421.20743	83.4
422.21051	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	421.2082
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.66241	0.8
55.01872	9.0
57.03457	4.7
57.03711	1.2
58.00582	0.9
59.01383	63.1
60.01686	1.1
61.38161	0.8
68.73165	1.0
69.03456	2.0
71.01387	79.3
72.01709	1.3
72.99303	1.6
73.02953	42.2
75.00873	2.9
81.03438	1.2
83.01391	16.3
83.22808	0.9
85.02958	40.7
86.00106	1.9
86.03287	0.8
87.00883	3.4
87.04545	0.7
89.02452	21.3
95.01399	6.9
97.02949	4.5
98.22741	1.2
99.00884	15.3
101.02450	73.2
102.02860	0.8
111.00883	1.9
113.02460	31.5
115.04020	2.4
119.03501	2.2
125.02439	4.8
129.01901	1.9
131.03531	4.2
141.01933	1.3
143.03485	3.3
149.04556	2.1
159.03003	7.1
161.04570	31.7
162.04976	0.9
186.67377	0.9
191.05675	1.1
200.57144	0.8
233.06699	3.0
289.16583	100.0
290.16928	7.7
347.04324	0.8
366.35690	0.9
421.20786	80.5
422.21243	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	421.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08484	0.7
55.01885	2.8
57.03448	3.7
59.01386	52.3
70.76006	1.1
70.76340	1.0
71.01392	33.2
71.05032	5.7
73.02964	6.5
83.01382	2.7
83.05043	1.0
85.02974	7.5
87.00868	0.8
89.02462	7.9
95.01374	1.7
97.02963	0.8
99.00890	2.1
99.04520	1.6
101.02452	22.4
111.00877	1.0
113.02470	7.6
119.03500	2.9
123.04528	1.0
125.02469	1.2
125.06108	2.0
143.07155	54.6
143.10733	1.9
144.07469	1.5
149.02443	1.0
161.04536	3.8
172.70898	0.7
176.36754	0.8
177.05540	1.1
179.05611	0.8
193.05072	1.3
197.11852	0.9
211.15630	0.8
215.12837	4.3
216.06647	2.2
241.14532	0.8
319.17487	1.0
355.45682	0.9
359.16974	3.3
361.18680	1.3
377.18192	100.0
378.18521	11.3
404.24579	5.9
421.20856	10.1
422.21515	1.4
422.27603	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	421.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14200	0.4
55.01873	1.4
57.03453	5.2
58.00577	0.5
59.01381	46.0
60.01705	0.5
61.98831	4.8
69.03474	0.5
69.46391	1.8
71.01382	23.6
71.05016	1.6
72.99308	0.5
73.02953	5.6
74.98141	0.4
77.09187	0.4
83.01385	3.4
83.97142	0.4
85.02955	8.5
85.06591	5.8
85.84741	0.4
87.00870	1.6
89.02451	13.0
95.01374	1.8
97.06581	0.8
99.00874	6.6
99.01463	0.6
99.04510	1.4
101.02446	15.0
101.03114	1.0
111.00875	0.5
111.08155	1.6
113.02453	8.1
113.09703	0.6
119.03516	5.6
125.02434	1.0
125.09780	0.5
131.03502	0.7
135.04457	0.5
138.85976	0.5
159.02965	1.6
161.04581	1.3
169.12315	1.0
171.13901	3.2
179.05641	1.1
197.11865	0.6
197.15462	0.5
215.12883	13.5
215.14915	0.9
216.13179	0.4
241.14487	5.3
259.04544	1.7
340.99219	0.4
359.17072	0.7
377.18170	16.4
378.18552	1.0
403.19626	0.7
421.20813	100.0
422.21170	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
53.10413	0.6
55.01829	1.5
56.38860	0.6
57.03370	2.4
59.01307	32.6
59.01641	4.3
61.27141	0.6
69.03384	0.6
71.01303	25.2
71.01733	2.5
71.04950	1.7
71.05316	0.6
72.99263	0.8
73.02869	4.5
83.01312	3.7
83.51476	0.6
85.02959	6.3
85.03413	1.2
85.06522	1.1
87.00818	0.8
89.02453	6.7
95.01332	1.5
99.00826	1.5
99.04479	1.1
101.02451	12.3
109.47560	0.6
111.00785	0.8
113.02457	6.5
116.92709	0.7
119.03525	3.2
119.04172	0.9
125.02402	0.8
131.03386	0.7
143.07149	6.6
143.10658	0.7
157.31438	0.6
161.04483	1.6
169.12212	0.9
197.11766	1.7
215.12901	6.2
273.88605	0.6
359.17007	2.5
377.18179	100.0
378.18475	9.2
403.19662	1.5
421.20871	22.0
422.21103	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	421.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62695	0.2
59.01382	0.3
60.79109	0.3
61.98814	0.3
67.01895	6.6
71.91734	0.3
78.95917	0.3
80.32754	0.3
85.02959	24.3
86.03316	0.3
89.17446	0.3
97.06629	0.4
111.00892	100.0
111.08153	0.4
112.01236	2.3
115.07649	0.4
121.02979	0.4
124.15005	0.3
129.01962	9.5
130.02234	0.3
165.12856	0.8
181.12390	0.7
183.14030	0.3
185.02184	0.4
197.11850	0.3
210.12459	0.4
221.11823	0.3
247.20679	0.8
251.16652	0.6
273.18735	0.4
279.16272	0.3
291.19717	9.8
292.20114	0.6
309.20740	30.0
310.20999	3.0
311.20059	0.3
315.23340	0.8
341.21228	0.3
359.22275	2.1
360.22513	0.4
410.94528	0.3
421.22305	1.6
421.27582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
59.09807	0.2
67.01894	7.1
67.46172	0.3
82.30221	0.2
85.02956	16.1
86.44885	0.3
96.96033	0.5
111.00893	100.0
112.01225	2.3
112.82781	0.3
113.09729	0.4
116.95535	0.3
126.06854	0.4
129.01964	7.7
138.38820	0.3
139.11230	0.5
141.09230	0.4
153.39456	0.3
163.11305	3.1
165.12906	0.7
167.10918	0.3
170.49025	0.3
170.98155	0.3
181.12408	0.7
195.13699	0.3
211.13400	0.8
238.08571	0.4
246.18637	1.5
247.20653	0.6
273.18564	0.7
281.21194	0.3
291.19678	7.9
292.19821	0.6
307.15564	0.8
309.20746	31.9
310.21133	2.9
315.23355	2.3
332.63312	0.3
341.21451	0.4
359.22171	3.1
371.19962	0.3
385.19968	0.3
421.22464	0.7
422.30850	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	421.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
60.45655	0.2
61.98831	0.3
67.01897	6.8
69.31046	0.8
83.05009	0.2
85.02955	4.2
88.98816	0.9
89.02481	0.2
96.96049	0.3
97.02936	0.4
109.06590	0.3
111.00888	100.0
112.01243	2.4
124.10657	0.3
129.01936	1.4
138.03233	0.3
149.06099	0.4
153.12843	1.1
177.10915	0.2
179.10866	0.2
179.14395	0.5
181.12312	0.6
197.11798	0.6
207.10225	0.4
207.13846	0.3
215.12894	0.4
247.20697	0.9
259.05438	0.2
262.11978	0.9
273.18729	0.4
285.93488	0.2
291.19672	5.8
292.20215	0.4
293.95041	0.3
309.20734	25.5
310.21072	2.3
315.23260	1.3
331.18185	0.4
333.24219	0.3
341.21161	1.1
359.22327	4.4
360.22690	0.7
409.48618	0.3
421.22256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00449	0.5
56.82599	0.6
61.98858	0.9
67.01572	0.7
67.01900	5.6
69.50404	1.7
85.02966	3.6
95.12852	0.6
111.00891	100.0
112.01242	2.8
121.02965	1.5
121.33521	0.6
122.31266	0.6
129.01958	1.8
165.12920	0.9
179.14415	0.7
223.17056	0.9
245.12505	0.7
267.16064	1.5
273.18747	0.7
291.19672	11.6
292.20148	0.9
309.20740	20.3
310.21075	2.0
333.24371	2.5
377.23380	0.6
421.22641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
62.09014	0.6
67.01892	6.5
71.44904	1.0
76.24567	0.7
85.02957	14.6
88.98836	1.3
91.91953	0.7
96.96017	1.1
111.00890	100.0
112.01211	2.5
113.09756	0.8
121.02977	2.7
122.03332	1.0
129.01950	6.6
159.65317	0.6
165.12886	1.1
181.12383	1.1
189.58432	0.8
203.02814	0.6
247.20598	0.8
262.11838	1.1
291.19681	10.2
309.20737	32.6
310.21259	2.6
315.23477	3.3
333.24603	0.8
359.22327	3.4
421.22647	1.3
421.28000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
62.09014	0.6
67.01892	6.5
71.44904	1.0
76.24567	0.7
85.02957	14.6
88.98836	1.3
91.91953	0.7
96.96017	1.1
111.00890	100.0
112.01211	2.5
113.09756	0.8
121.02977	2.7
122.03332	1.0
129.01950	6.6
159.65317	0.6
165.12886	1.1
181.12383	1.1
189.58432	0.8
203.02814	0.6
247.20598	0.8
262.11838	1.1
291.19681	10.2
309.20737	32.6
310.21259	2.6
315.23477	3.3
333.24603	0.8
359.22327	3.4
421.22647	1.3
421.28000	1.2
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
62.61344	2.3
65.27480	2.6
71.43929	2.6
80.96521	2.9
135.35147	2.7
163.11290	100.0
164.11681	5.1
166.66563	2.9
185.02235	3.2
270.09653	2.6
339.23294	68.8
340.23560	8.4
358.02319	2.9
385.60345	2.5
421.22235	3.7
441.36172	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	421.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31883	6.5
63.71786	5.4
74.30942	5.3
96.96024	7.2
98.22681	14.8
98.99893	5.4
113.06110	55.8
125.09756	11.0
153.09204	11.1
163.11339	8.0
171.10225	9.5
185.11865	18.0
191.14429	6.6
197.11862	8.2
204.90060	5.4
209.11809	20.5
230.49203	5.2
245.19109	23.5
289.18164	89.5
290.18430	8.6
307.19165	100.0
325.20267	30.5
359.25726	14.2
365.07959	5.8
383.01834	5.5
403.25125	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	422.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41133	0.7
61.98841	0.9
62.84937	0.8
69.61614	3.0
74.95425	0.7
79.95735	0.7
92.02561	8.2
99.50056	0.8
117.04594	8.3
118.02995	16.2
119.03387	0.8
121.02996	0.8
123.36137	0.7
131.23788	0.8
133.02974	1.7
141.04614	4.1
142.04128	81.4
143.04468	3.5
144.05699	9.2
145.06082	1.1
150.03232	1.3
164.02974	0.8
165.05612	1.2
168.05698	78.0
169.06110	4.0
183.45758	0.8
190.57297	0.9
212.04683	100.0
213.05016	5.8
311.71011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80520	1.0
54.92931	0.9
56.96198	0.9
57.03438	2.5
59.01384	100.0
60.01712	1.9
61.98832	3.8
66.78132	1.0
69.03476	1.2
70.93409	1.0
71.01400	7.8
72.11404	0.8
73.02963	2.8
77.89716	0.8
78.37481	1.1
79.95744	7.0
80.96571	1.1
83.01427	1.0
83.05025	2.9
85.02975	2.4
87.00899	2.1
89.02444	7.0
90.83409	0.9
95.01357	1.0
95.95245	5.5
96.96016	14.1
97.01710	0.8
97.02980	1.0
99.00882	2.0
99.04543	2.2
101.02444	5.2
102.98595	3.6
110.02546	0.9
112.04057	3.2
113.02487	2.3
114.05616	61.0
115.05992	1.3
125.02474	1.8
138.05624	4.0
149.04582	1.2
156.06668	81.9
157.07022	3.2
161.04564	3.0
163.00714	2.3
179.05617	1.0
201.01657	1.3
217.05038	0.9
222.72388	0.8
283.04941	2.3
387.10709	3.0
390.23199	1.2
390.64691	1.0
422.20154	61.4
422.24884	2.2
423.08347	5.5
423.15005	6.4
423.19650	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	422.2007
Annotation	Latrunculin S
Peak:m/z	Relative Intensity
52.36048	0.2
57.03446	0.6
58.99598	0.4
59.01383	9.3
61.98824	0.8
61.99950	0.2
64.66647	0.3
69.63944	0.9
71.01393	2.4
73.02959	0.7
79.95746	10.2
80.96532	1.3
83.05029	3.8
85.02958	0.8
87.00881	0.4
89.02463	1.5
95.01321	0.2
95.95239	8.5
96.96018	28.5
99.00891	0.4
99.04530	0.4
101.02441	1.5
102.98595	2.0
105.11880	0.2
112.04064	1.2
113.02466	0.7
114.05612	2.9
119.03518	0.4
119.09771	0.2
125.02511	0.4
135.04515	1.1
137.36594	0.3
143.03552	0.4
149.04546	0.5
156.06656	4.3
157.06934	0.4
161.04604	0.8
163.00739	3.2
172.04459	0.3
178.02742	0.3
201.01628	0.6
246.18674	0.5
258.18680	0.5
272.20215	0.6
274.18073	0.4
279.72980	0.3
283.04990	1.2
292.25574	0.3
324.23291	0.6
342.24344	0.6
376.15814	1.2
390.22870	0.4
394.17041	0.6
404.24432	0.4
422.20102	100.0
423.15228	0.8
423.20389	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	422.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03444	2.0
58.00584	0.3
59.01383	20.9
60.01713	0.5
61.42932	0.3
65.03971	1.1
66.54996	0.3
69.03450	0.7
69.60486	0.8
71.01386	17.1
72.01720	0.3
72.99311	0.4
73.02951	6.8
74.03281	0.4
76.30623	0.3
81.03466	0.9
83.01389	2.3
83.05028	5.3
84.05394	0.3
85.02953	8.3
86.43213	0.3
87.00900	0.9
87.04484	0.3
89.02450	8.4
90.02795	0.3
93.03477	3.4
95.01389	1.7
96.04554	1.7
98.06144	0.4
99.00896	2.6
99.04562	0.5
99.26635	0.3
101.02451	14.0
102.02821	0.4
106.04245	1.0
107.05049	3.3
109.02992	0.6
111.00881	0.6
113.02458	7.8
119.03503	2.4
119.05035	1.0
121.06593	0.5
124.07688	1.0
125.02461	0.9
131.03557	0.6
134.03743	0.4
135.04524	2.2
137.06096	0.9
143.03520	1.0
145.06573	2.4
146.09804	0.4
147.69458	0.3
148.11327	1.0
149.02423	0.7
149.04575	1.6
150.00244	0.3
150.03156	0.5
157.06641	0.7
159.03015	1.4
159.08167	0.4
161.04576	6.5
163.38258	0.3
165.05527	0.3
179.05630	0.4
182.07362	0.6
183.08145	0.8
191.05573	0.5
195.06686	0.6
202.12384	2.7
216.06721	2.5
223.11176	0.3
234.15045	1.9
237.11629	0.4
240.14032	0.6
246.14986	1.2
260.22403	1.5
265.12219	0.5
266.15506	2.8
274.49710	0.3
278.17581	0.9
284.16608	0.7
291.14557	2.2
298.18085	0.9
310.18298	0.4
316.19241	0.6
324.19775	0.4
326.21292	0.4
328.19144	1.9
329.19540	0.5
331.11835	0.5
336.20105	0.5
342.20734	0.9
344.22159	0.4
354.20734	5.6
355.21222	0.4
358.23923	0.4
360.21716	2.0
370.20316	0.8
372.21814	7.4
373.22031	0.7
378.18597	3.5
379.16147	1.5
386.23373	7.1
387.23541	1.0
402.22906	1.4
404.24442	100.0
405.24792	15.3
405.28821	0.2
422.26178	17.5
423.18869	3.7
423.25616	2.6
429.34921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74191	1.7
57.97109	1.6
59.01376	5.8
61.98837	100.0
69.46002	6.8
73.02960	1.9
108.52306	1.7
118.03000	2.1
129.80345	2.0
142.04117	9.8
147.64511	1.9
168.05699	7.2
204.35806	2.0
212.04707	8.1
243.21060	1.8
394.16119	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	422.927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49774	0.9
59.01386	3.0
65.95577	1.1
67.01878	3.8
71.01393	2.4
71.39722	1.3
76.28196	1.1
80.91692	4.7
85.02956	50.0
89.02451	2.5
90.97145	4.9
94.92568	1.0
96.96996	1.1
98.99452	1.4
106.73396	1.2
111.00889	40.3
112.01208	1.3
129.01950	43.7
141.00426	3.6
156.98216	5.1
158.99753	9.1
166.96642	4.0
173.00909	11.8
173.98436	9.3
176.09454	1.0
184.97697	29.6
195.01457	1.8
199.96413	3.8
221.98476	2.6
222.93311	5.8
224.00099	2.8
226.01636	7.5
228.96686	4.6
233.98322	1.7
240.94205	3.3
243.03625	8.0
251.99542	29.8
252.62917	1.2
253.00267	1.4
258.94391	3.5
262.96362	4.3
264.94327	1.8
266.92209	3.0
280.97308	3.2
282.95764	2.2
282.99036	10.6
283.98608	7.2
288.94278	7.6
290.95929	14.4
296.96844	3.0
298.97775	1.6
306.95438	12.8
308.96976	88.3
309.97235	3.0
316.93820	6.8
322.94769	3.4
324.95496	3.0
326.97034	4.3
334.94907	100.0
335.95200	6.0
341.10892	2.4
352.95053	11.2
360.92831	69.0
361.93005	4.9
378.93716	9.0
422.92789	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	423.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77386	1.7
53.53536	1.8
59.01381	3.4
61.98825	8.7
66.30096	1.8
69.48428	6.7
84.05215	2.0
84.93873	4.0
99.92597	86.0
100.92652	5.0
100.93364	32.2
101.93391	2.2
115.92091	56.8
116.92872	100.0
117.92884	8.0
119.56506	2.2
150.26912	2.1
164.71619	2.3
192.95964	3.6
193.96712	2.3
196.88576	2.3
216.11092	2.1
343.10452	2.5
355.06470	3.5
363.58340	2.2
369.07956	4.4
387.09064	39.2
388.09412	5.5
401.06885	9.6
405.10178	12.0
406.10605	4.0
423.10776	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	423.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49302	2.3
55.01896	5.0
56.19028	1.9
57.03434	7.1
59.01386	91.9
61.98832	6.4
69.03461	4.6
69.51946	6.2
71.01390	100.0
71.05023	6.3
72.01715	3.5
73.02954	33.2
75.00867	6.3
80.91669	4.0
81.03462	3.7
83.01402	7.5
83.05061	2.4
85.02964	28.4
87.00896	4.7
89.02455	75.2
95.01395	3.0
96.96035	5.4
97.02962	12.7
99.00883	25.2
99.04543	4.3
101.02460	48.0
111.00876	4.0
111.14085	2.5
113.02467	26.9
115.04016	8.1
119.03515	6.0
125.02451	22.0
129.05585	3.9
131.03506	9.7
143.03516	4.8
147.06656	12.7
149.04547	17.8
156.06677	4.8
161.04573	31.5
176.51642	2.0
191.05710	10.6
198.01205	2.3
201.07712	6.3
233.06651	18.5
291.10876	5.0
293.08841	28.5
341.11121	5.6
377.48593	2.3
423.09195	4.7
423.14954	64.3
423.19928	8.3
424.15051	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.2
59.01384	100.0
61.98829	12.6
62.26358	4.6
71.01387	63.8
71.42516	6.6
73.02959	11.1
75.00906	6.5
76.18570	4.9
80.76983	5.4
85.02958	13.1
85.42743	5.5
89.02464	49.8
99.00828	6.1
101.02457	26.6
110.72243	4.8
113.02469	14.9
115.00406	6.1
120.99621	5.3
125.02480	11.5
129.09216	81.9
131.03523	8.8
131.23886	5.4
146.96681	6.1
149.04617	9.9
161.04582	7.1
165.04028	10.3
191.05620	6.5
229.08887	6.0
293.08835	18.0
335.14120	8.2
423.17667	16.9
423.26224	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	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92841	2.2
55.01857	2.1
56.81686	2.3
57.03458	20.1
59.01384	28.0
71.01387	16.9
73.02950	6.8
80.68123	2.2
84.07079	2.2
85.02953	9.5
87.00868	3.5
89.02455	5.4
90.95126	2.1
92.46955	2.0
96.96031	6.6
98.22637	4.5
99.04534	12.3
101.02437	15.2
113.02456	5.2
118.03002	100.0
125.02434	7.5
161.04657	3.1
188.27710	2.3
197.05974	2.4
236.38722	2.3
239.05841	2.6
243.16313	2.5
251.07185	5.2
340.90967	2.6
423.20117	11.3
423.26123	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	423.1795
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03442	55.9
59.01386	100.0
69.39648	71.9
71.01392	20.7
98.22607	32.9
99.04512	50.0
176.52298	13.4
244.77295	14.2
266.61017	14.8
295.64374	14.3
361.24561	15.4
423.17929	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
58.03787	1.5
59.01384	74.1
69.22116	4.9
71.01386	14.9
71.33969	0.7
71.45306	0.6
73.02943	6.6
73.77151	0.6
81.03486	1.7
83.01397	4.9
85.02959	7.2
89.02464	2.1
95.01415	1.4
97.02973	1.1
99.00919	2.7
99.04527	67.5
101.02450	31.5
101.03101	1.7
102.34769	0.7
113.02470	6.6
120.46970	1.0
125.02449	20.6
125.03309	1.4
133.28271	0.8
142.89621	0.8
143.03499	1.7
159.03059	1.5
161.04587	5.2
176.88326	0.7
210.64606	1.0
248.45143	0.9
279.14511	19.3
279.17365	1.2
280.14984	1.2
361.18915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14231	0.8
55.01878	7.6
57.03451	6.2
58.00587	1.4
58.45918	0.9
59.01384	47.7
69.03438	1.7
69.27704	3.8
71.01385	60.7
73.02950	40.1
83.01395	16.0
85.02953	34.6
85.03474	1.7
86.00091	2.2
87.00854	4.4
89.02460	10.8
95.01381	4.1
95.95046	0.9
97.02962	3.5
99.00877	12.1
101.02451	69.3
102.02731	1.0
104.43646	0.9
111.00850	1.8
113.02454	23.3
115.04032	2.0
125.02463	4.7
127.11298	1.2
129.01949	1.7
129.12817	1.1
131.03520	4.7
143.03499	3.6
159.02997	5.6
161.03229	1.4
161.04567	26.6
162.04865	1.1
191.05571	1.1
233.06660	3.2
236.59723	1.0
291.18149	100.0
292.18524	7.5
423.22385	97.9
424.17102	1.4
424.22711	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87648	0.6
55.01884	7.5
57.03444	5.7
58.00599	1.0
59.01385	45.4
69.03448	1.8
69.28803	3.3
71.01387	63.9
72.01736	1.1
72.99334	1.3
73.02952	36.8
75.00864	2.1
83.01392	13.7
85.02959	38.4
86.00112	1.3
87.00889	3.0
89.02451	14.1
95.01395	4.6
97.02947	3.4
99.00884	12.6
101.02450	66.2
102.02771	0.9
111.00893	1.9
113.02460	28.4
115.03972	3.3
125.02451	3.2
127.11249	1.0
129.01952	1.4
129.12874	1.0
131.03546	3.5
143.03465	3.3
149.04585	1.3
159.03026	5.2
161.04568	30.0
162.04849	0.7
233.06657	2.6
254.12184	0.7
291.18152	100.0
292.18524	6.0
349.37646	0.7
396.79187	0.7
423.22391	90.6
424.22809	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	424.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59088	0.4
55.01873	0.5
57.03454	17.0
59.01386	6.6
61.98814	0.6
69.66186	1.8
71.01383	6.8
71.45886	0.4
73.02959	3.1
81.81856	0.4
83.01373	1.1
85.02951	3.1
87.00916	0.9
89.02462	1.9
90.03506	0.8
97.02974	0.6
98.21888	0.5
99.00874	0.7
99.04530	13.2
99.05183	0.7
101.02459	9.2
101.49194	0.5
105.10267	0.5
112.98738	0.4
113.02421	2.3
118.03003	100.0
119.03332	3.2
125.02465	7.5
129.01962	0.8
134.03824	1.0
135.02989	1.0
135.04510	0.7
143.03548	0.7
149.00945	0.7
159.03111	0.5
160.04042	0.5
161.04558	3.6
231.10211	0.7
245.54868	0.6
279.49820	0.5
293.10587	1.0
293.16110	6.6
305.08408	0.5
424.19849	0.7
424.26462	0.7
425.20380	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	424.2497
Annotation	Lythranidine
Peak:m/z	Relative Intensity
60.10583	1.3
65.59001	1.2
86.02485	51.5
147.08234	2.0
163.11293	4.3
187.11282	3.6
277.21786	1.5
277.60138	1.7
277.63144	1.6
297.59598	1.4
309.22095	3.3
337.21744	100.0
338.22095	14.0
424.24908	60.2
425.25269	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	425.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76630	1.0
59.01384	1.8
61.98843	5.0
71.01382	1.1
74.19302	1.0
76.57060	0.9
83.93121	1.0
84.93869	3.3
98.21883	2.3
99.92597	73.8
100.92636	3.1
100.93365	31.7
101.93404	1.4
115.92090	53.5
116.92875	100.0
117.92896	4.5
209.11887	1.7
240.00974	1.0
248.05150	1.7
267.03543	1.1
276.04657	1.3
279.03458	1.5
292.04037	1.1
307.15826	1.0
307.19073	1.5
320.03476	1.8
321.04202	2.0
338.04697	2.6
341.08514	1.0
357.07907	2.7
359.09601	2.5
371.09552	2.7
375.09131	1.3
377.10507	1.6
385.07455	2.9
389.05539	1.9
389.10623	37.6
390.10767	6.5
403.08490	11.0
404.08914	2.0
407.11978	4.7
408.12036	1.8
411.09238	1.7
421.09680	3.9
425.12790	18.0
426.12683	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32459	1.3
56.98041	1.6
57.03452	52.4
59.01383	100.0
61.98826	5.0
69.21375	3.2
69.21785	7.4
69.43122	1.3
71.01389	27.1
73.02953	8.6
82.03013	2.1
83.01390	3.5
85.02939	7.2
87.00882	2.0
89.02447	23.7
95.01398	3.0
99.00904	3.5
99.04524	52.5
100.04094	1.7
100.04857	2.7
101.02448	33.2
101.64385	1.4
103.02982	1.3
113.02452	13.2
116.92858	1.4
119.03513	8.6
119.07154	3.7
125.02448	25.9
131.03569	2.3
131.07178	2.0
136.07726	1.6
143.03510	4.1
149.04553	3.4
161.04578	9.6
179.05675	4.3
220.09784	2.6
263.11465	9.9
281.12442	40.9
282.12698	2.7
323.13528	13.3
363.89175	1.6
365.18060	4.6
371.21320	1.5
425.16330	17.2
426.14203	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	425.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82799	9.0
56.25675	6.8
59.01373	15.6
69.75943	25.7
80.91685	13.3
99.92561	15.0
101.39944	7.9
105.62572	7.2
111.00803	9.1
116.97276	9.8
118.90006	20.8
123.04475	10.1
123.08112	9.1
132.77599	7.5
186.79402	7.2
199.13417	16.4
221.11560	40.9
260.10327	61.9
289.18192	44.7
307.19153	65.1
316.18674	8.3
329.17444	100.0
365.15021	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23625	7.5
51.85624	6.7
54.51214	5.1
59.01379	9.7
61.98835	10.4
65.08064	5.9
69.06670	27.2
69.07081	15.2
80.37398	6.9
80.91700	9.7
84.73531	5.6
96.96022	7.7
98.22684	14.4
99.92575	6.5
116.97292	8.3
117.14825	7.0
118.90022	11.7
133.26212	6.1
137.09631	6.2
149.45999	5.3
171.10324	9.7
207.10112	12.8
223.16504	6.0
247.09604	9.0
260.10205	7.2
289.18207	16.7
299.34244	7.8
307.19281	17.4
329.17389	73.9
330.17291	6.8
365.15045	100.0
366.15491	7.9
444.33347	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	425.1823
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
51.76820	1.2
59.01385	68.4
69.03429	1.3
71.01392	27.6
73.02964	1.3
77.09755	0.9
83.01382	1.3
83.05057	3.4
85.02961	5.0
89.02448	26.9
94.69170	1.1
95.01400	2.0
98.21896	2.9
101.02468	14.3
103.00407	1.4
113.02465	9.4
117.07121	3.7
119.03517	12.4
119.08687	2.6
130.04277	1.5
134.03775	2.6
143.03416	1.2
145.06609	2.4
149.00885	1.5
159.11790	4.9
171.08171	11.1
172.08484	1.0
179.05656	2.9
183.11797	2.2
185.09731	4.9
186.10530	33.9
186.12173	1.8
187.10985	1.9
199.11307	4.2
201.12868	100.0
202.13225	6.9
233.29106	1.1
245.11845	79.7
246.12247	5.5
281.39111	1.2
417.85666	1.1
425.18207	42.9
426.18747	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	425.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01384	84.2
60.01718	0.9
61.56451	0.7
61.98832	0.9
62.57647	0.8
65.76766	0.9
69.03461	17.5
70.05659	1.7
70.06026	1.8
71.01388	40.4
72.01723	0.9
72.99303	2.0
73.02952	1.9
78.95918	1.8
79.01907	6.7
79.95735	1.2
80.96526	2.8
83.01384	2.0
83.05016	2.3
85.02960	7.5
87.00875	3.1
89.02452	39.1
91.05542	1.1
95.01382	3.2
97.02953	9.3
98.21891	1.0
101.02451	18.5
103.00362	1.4
107.01389	6.7
111.00873	1.6
113.02460	13.7
117.07104	2.2
119.03505	18.1
119.04996	0.7
119.08653	2.0
120.03899	1.1
123.00899	5.8
124.74056	0.9
125.02453	6.8
130.99803	0.8
131.03517	1.5
131.37447	0.9
133.02925	1.5
134.03778	7.1
135.03026	1.2
135.04518	2.2
137.02541	1.3
141.12405	0.9
143.03528	2.3
145.06572	3.3
149.00896	3.7
149.04564	2.2
151.00339	1.4
152.99617	2.7
159.11806	4.7
160.01700	1.8
161.04501	1.7
171.08182	8.7
175.04018	1.8
177.01907	1.0
178.02661	2.0
179.03561	1.3
179.05588	3.0
185.09760	3.9
186.10504	30.0
186.97131	1.6
187.10941	0.9
188.98596	1.9
193.05042	1.1
199.11288	4.7
201.12862	77.8
202.13257	5.8
214.96577	100.0
231.10170	1.3
245.11829	69.8
246.12132	5.6
275.09241	1.4
282.23083	0.9
293.10419	1.5
388.63327	0.8
425.09372	0.9
425.18149	27.4
426.05017	34.8
426.18677	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.8
57.03454	5.6
58.34446	1.1
59.01385	58.8
61.98833	2.8
68.99796	1.1
69.03454	1.8
70.01176	3.2
71.01390	78.7
72.99326	1.6
73.02953	41.8
75.00875	3.9
81.03491	1.4
83.01394	12.5
85.02962	40.2
86.00069	1.2
87.00883	6.8
89.02458	20.1
95.01392	5.0
97.02963	5.2
99.00894	13.4
99.04546	2.1
101.02454	70.7
102.18896	1.1
109.02937	2.2
111.00886	2.6
113.02467	30.7
115.04008	3.3
119.03490	2.9
119.05057	1.3
123.04538	1.2
125.02427	6.4
129.01897	1.3
131.03491	3.9
134.03764	6.6
135.03014	3.4
136.01654	1.4
137.02454	1.3
143.03514	3.6
149.00900	2.2
149.04568	3.5
159.02992	8.7
159.04184	1.3
160.05318	1.2
161.04582	41.0
177.27187	1.1
187.07643	1.8
231.10321	3.5
233.06683	4.6
246.08023	1.2
275.09265	1.2
293.10367	5.8
293.16095	100.0
294.16357	6.3
340.71677	1.3
425.15057	3.6
425.20325	89.6
426.14844	2.2
426.20691	10.7
443.71149	1.1
447.14960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35769	1.0
55.01877	7.4
57.03452	8.2
59.01382	57.4
64.19756	0.9
64.24251	0.9
69.03467	1.7
71.01385	82.6
71.41932	1.1
72.01733	1.8
72.99326	2.1
73.02954	44.3
75.00880	4.6
81.03461	1.1
83.01390	15.3
85.02957	45.9
86.00101	1.0
87.00876	4.0
89.02457	17.4
93.74601	1.2
95.01387	6.8
97.02971	5.0
99.00885	16.3
99.04506	1.3
101.02450	78.1
102.02821	1.2
111.00840	1.4
113.02461	31.4
115.04003	2.5
119.03481	1.2
122.81570	1.1
125.02473	5.1
129.01949	1.6
131.03511	5.4
134.03757	2.9
135.03009	4.4
142.98383	1.0
143.03506	4.2
144.04005	1.3
149.04576	2.2
159.03004	6.3
161.04573	40.0
162.04951	1.1
175.04121	1.6
180.22105	1.0
187.03893	1.1
189.91890	1.1
191.05521	1.4
231.10274	3.3
233.06673	5.4
275.09177	1.7
293.10541	2.7
293.16083	100.0
294.16400	5.7
425.20313	86.8
426.20724	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	425.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
61.58757	1.2
71.01384	26.9
72.99328	7.5
81.33093	1.2
83.21197	1.2
111.08227	1.9
115.00362	4.4
127.11279	1.4
142.18399	1.1
150.81339	1.2
153.12892	3.1
155.10793	1.2
162.06918	1.2
165.12749	1.8
167.10780	2.0
181.12358	1.9
197.11810	2.6
199.13351	1.7
247.20598	2.6
273.18423	1.6
291.19662	19.6
294.65845	1.2
302.53949	1.2
309.20731	100.0
310.21127	8.8
365.91864	1.3
376.18872	1.2
407.21033	1.2
438.03894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25408	1.6
59.01380	1.8
71.01388	30.3
72.99298	7.1
90.60471	1.8
92.92818	1.6
94.43557	1.5
107.78283	1.4
115.00383	13.4
118.89440	1.5
133.01418	5.2
136.03906	1.7
165.12866	4.0
166.81662	1.4
178.80933	1.7
194.15918	1.5
211.13486	2.4
247.20592	2.1
291.19635	17.8
309.20743	100.0
310.20959	7.7
338.87570	1.7
407.20746	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01702	1.7
61.98840	2.9
68.09288	1.4
69.31750	5.6
71.01385	19.0
72.99323	3.9
83.75126	1.2
115.00398	5.6
116.92872	1.7
133.01422	4.8
139.11339	2.0
165.12914	1.6
167.10812	1.8
213.11406	1.5
291.19653	13.6
309.20746	61.9
310.20874	3.0
332.06812	1.6
369.84970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18211	0.8
52.12281	0.9
57.03444	2.1
59.01385	53.0
61.98822	1.9
69.03471	1.3
71.01381	7.6
73.02952	5.4
83.01403	1.6
85.02955	4.1
87.00903	2.3
89.02457	3.7
94.32612	0.8
97.02968	1.1
101.02471	5.3
111.00877	4.7
113.02480	2.9
119.03524	0.9
119.05055	1.6
133.01711	40.5
134.02116	1.5
134.03757	2.2
137.02510	1.1
142.15964	0.9
148.04060	71.0
149.01178	5.2
149.04372	2.6
161.04483	1.1
163.11295	4.0
175.04039	2.3
180.03046	42.8
181.03537	1.1
181.12357	10.2
187.11308	1.5
190.10022	1.2
195.05305	1.2
205.12314	1.9
212.03471	4.7
213.02010	2.9
223.13318	1.6
238.05084	1.4
240.03073	7.1
241.01552	6.0
247.09842	1.0
255.05324	9.0
256.03708	2.0
270.07690	1.9
278.20700	1.2
284.01990	6.8
287.07932	1.0
299.04324	18.0
300.04773	1.8
314.06754	29.6
315.07190	2.3
316.04663	15.4
317.04831	1.1
331.06982	19.1
346.09338	100.0
347.09735	9.5
368.87985	1.1
426.04846	13.1
427.05032	1.5
427.15738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89182	1.8
57.56868	1.7
58.96346	1.5
61.98837	52.7
71.40627	1.9
79.95741	14.7
120.00979	3.4
122.02508	13.1
133.01727	3.7
136.04054	2.1
141.29922	1.8
148.00447	4.4
149.01207	7.7
151.02724	9.1
160.99913	1.8
165.04369	3.0
166.01454	22.2
180.03000	9.1
181.03822	71.5
184.04060	3.7
195.05380	4.0
196.06174	22.7
212.03600	4.3
226.05096	4.4
240.03073	3.5
243.99174	2.5
255.05463	2.9
256.02710	2.5
271.04877	8.5
272.05551	2.3
276.01834	27.8
283.99298	2.1
284.01889	11.9
298.03607	3.8
299.04379	56.1
300.05035	12.3
303.51236	2.2
313.05841	9.2
314.06650	18.9
315.07416	2.1
328.08081	4.0
331.07034	32.6
346.09366	100.0
347.09662	12.1
368.07816	2.7
411.09509	8.7
426.05048	73.2
426.20612	3.3
427.05212	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	426.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85780	0.3
57.03436	0.7
58.06617	0.4
59.01383	9.5
59.04443	0.4
60.01715	0.4
64.41625	0.4
64.64188	0.4
65.30187	0.4
69.03463	17.1
69.25864	0.7
69.26266	1.7
71.01390	3.5
73.02929	0.5
76.57758	0.4
77.63313	0.3
79.01897	7.1
79.95734	0.6
80.96503	2.9
83.01420	0.6
85.02943	0.9
89.02456	3.5
95.01383	2.0
96.57913	0.4
97.02954	10.6
98.22654	0.6
99.04570	0.5
101.02455	2.7
107.01394	7.9
113.02444	1.1
119.03483	1.6
123.00897	5.5
125.02457	5.4
130.06880	0.4
151.00395	0.8
160.01649	2.0
175.04062	3.6
186.10451	1.3
186.97096	2.8
187.10851	1.0
188.98611	2.8
193.05144	0.6
201.12883	3.3
202.13242	2.6
212.97369	0.6
214.96570	100.0
215.96834	4.0
223.13335	0.4
245.11803	2.3
246.12207	2.4
291.58359	0.4
407.29425	0.4
425.17999	0.9
426.05032	31.4
426.17795	2.0
427.05426	3.1
427.15881	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	426.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.2
57.03420	0.2
59.01382	10.5
60.01699	0.5
61.98809	0.5
69.03458	18.3
70.03759	0.3
71.01382	4.4
72.01711	0.4
73.02935	0.9
74.01899	0.2
79.01889	6.5
79.95709	1.1
80.96508	2.4
83.01365	0.4
85.02956	1.5
87.00886	0.3
89.01957	0.3
89.02455	3.8
90.02757	0.5
95.01395	2.3
97.02953	11.1
98.03259	0.2
101.02427	2.3
103.52952	0.2
107.01395	7.7
107.35954	0.2
107.50565	0.3
108.02235	0.3
109.02937	0.4
111.00884	0.4
113.02435	1.4
119.02750	0.2
119.03496	1.4
123.00898	6.6
123.08228	0.2
125.02451	6.1
131.03554	0.4
132.02205	0.5
133.02969	0.3
134.03719	0.5
151.00346	0.7
158.97546	0.4
159.11786	0.4
160.01675	1.6
161.02449	0.6
161.04538	0.3
166.99934	0.5
171.08163	0.5
172.08411	0.4
175.04013	1.9
179.05580	0.4
185.09518	0.3
186.10477	2.0
186.97090	2.8
187.10806	1.1
188.98662	3.0
193.05025	0.5
201.12856	5.0
202.13206	3.1
212.97345	0.3
214.96564	100.0
215.96872	4.3
245.11813	3.6
246.12138	3.2
255.03168	0.3
394.02414	0.7
411.02383	0.4
425.18250	0.9
426.05023	31.7
426.17780	1.9
427.05353	3.3
427.15854	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14098	1.0
57.03452	67.9
58.00592	1.8
59.01383	18.3
61.98835	100.0
71.01390	17.9
73.02949	2.5
79.11610	1.0
81.03448	2.2
83.01402	1.5
85.02966	3.6
89.02464	4.4
91.23320	1.0
99.00941	1.6
99.04527	60.0
100.04852	1.4
101.02451	20.7
113.02458	2.9
116.04897	1.2
119.03516	1.4
125.02460	34.1
125.09748	3.7
133.02957	2.9
143.03548	1.9
147.04517	1.0
160.01682	4.0
161.04579	23.1
162.04915	1.7
163.03943	1.4
175.04019	4.7
180.19112	0.9
191.05577	1.4
201.11295	2.0
203.07155	2.5
232.03806	1.5
233.06764	1.3
249.13332	1.1
338.08606	1.6
381.17715	1.8
426.12665	1.2
426.20346	1.7
427.15906	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	426.1412
Annotation	Pemetrexed
Peak:m/z	Relative Intensity
59.01390	3.9
61.98839	1.4
66.09014	0.8
69.31374	4.3
71.01391	2.2
72.04554	10.7
73.02951	1.1
82.02995	53.7
83.01387	1.3
83.03332	0.9
85.02996	1.3
89.02451	1.0
89.67844	0.7
98.02490	39.2
98.22664	1.3
100.04064	17.0
101.02438	2.5
101.04324	0.8
107.05036	2.9
113.44055	0.8
119.05040	45.9
119.78501	0.7
120.05376	1.9
126.01986	2.6
136.07697	72.6
137.08035	2.5
163.03876	0.8
176.10919	0.8
192.10327	3.0
202.08748	1.3
218.08260	8.3
220.09814	61.5
221.10146	3.2
235.11705	1.0
246.07724	2.2
264.08746	8.0
264.48978	0.7
367.16113	3.4
408.12906	2.1
426.14093	100.0
427.14340	10.7
427.97360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18457	29.0
61.98824	61.3
69.36645	64.2
69.37048	100.0
76.97383	27.7
84.29671	31.2
96.96008	39.9
98.22670	49.3
282.71631	30.7
291.19653	50.1
309.20779	95.3
426.13007	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69038	20.7
64.96988	25.4
70.94727	27.8
87.00560	22.3
96.96033	63.9
97.78832	22.1
99.40398	23.9
99.92607	100.0
110.49273	22.5
115.92155	27.1
118.89993	52.6
134.89491	59.1
176.43837	24.3
233.95940	24.9
280.03601	23.8
390.11215	46.4
391.11932	26.4
394.09360	49.2
440.09164	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17625	1.8
51.29618	1.9
57.03453	51.9
59.01384	79.8
62.43258	1.9
70.26917	2.6
70.27269	4.5
71.01389	42.6
73.02954	12.0
79.73022	1.9
83.01398	6.0
85.02957	12.2
89.02449	30.9
95.01379	2.5
97.02947	2.4
99.00928	2.4
99.04527	39.5
101.02453	48.3
113.02474	16.9
119.03524	16.5
120.96951	2.0
121.05083	20.8
125.02456	29.1
130.16302	1.9
143.03505	5.4
149.04578	2.2
161.04610	14.2
163.06148	2.3
179.05602	4.8
187.06078	4.9
265.09277	25.6
283.10355	100.0
284.10504	5.9
325.11356	19.9
335.77905	2.1
365.14328	3.1
376.34119	2.1
427.14636	18.3
428.14679	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	427.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
57.03175	2.0
57.03453	47.8
59.01385	59.0
61.60220	1.3
61.73179	1.3
69.26404	1.4
69.35249	1.3
69.82270	3.2
69.82662	3.4
71.01392	34.4
73.02950	10.5
75.00882	2.0
81.03464	1.4
83.01395	3.9
85.02959	11.0
89.02453	26.9
89.02956	2.5
95.01416	1.9
97.02972	1.5
98.22726	1.3
99.00865	1.7
99.04530	33.0
101.02454	40.5
113.02462	18.1
119.03488	13.2
121.05084	21.0
125.02467	24.8
131.03555	2.2
135.66435	1.3
143.03479	4.0
159.03125	2.0
161.04593	10.6
179.05641	7.6
187.06140	6.4
265.09326	27.9
266.09579	1.9
283.10367	100.0
284.10721	4.3
325.11429	17.0
326.11862	1.7
345.10715	1.4
365.14560	3.3
427.14713	15.5
428.14987	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
57.03453	100.0
58.03803	1.7
59.01384	90.9
60.01728	1.2
63.16701	0.9
69.03454	2.2
71.01384	19.5
73.02959	7.3
74.02636	0.8
81.03471	2.1
83.01389	4.6
85.02954	8.8
87.00925	1.0
89.02475	4.2
95.01385	1.4
97.02959	2.1
98.22654	3.2
99.00897	3.1
99.04527	73.0
100.04850	1.8
101.02450	31.2
113.02460	9.1
120.03942	1.2
125.02451	22.1
143.03534	1.4
159.03038	1.1
160.01631	1.7
161.04559	10.7
175.04112	1.6
214.96590	9.4
215.96840	5.4
216.96236	1.0
225.73247	0.9
283.11902	19.6
284.12253	1.3
427.05402	4.2
427.16296	2.0
431.18259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04484	0.5
50.63762	0.4
57.03453	35.9
57.33213	0.5
59.01384	12.2
65.94318	0.6
69.23112	1.0
69.23499	1.9
71.01391	4.8
73.02960	1.7
83.01395	1.2
83.17567	0.5
85.02965	1.8
94.79127	0.6
95.01427	0.8
98.22702	1.0
99.04527	22.9
99.29926	0.5
101.02454	7.5
111.00889	2.2
113.02444	2.2
121.06608	100.0
122.06950	3.2
125.02460	13.1
133.82018	0.5
143.03566	0.8
161.04605	3.8
192.60600	0.5
203.05682	0.9
241.72610	0.6
243.08922	1.0
325.13110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68059	0.8
55.01893	0.8
57.03454	100.0
58.03795	0.9
59.01384	81.5
60.01717	1.1
69.03451	0.9
71.01387	22.6
73.02952	23.9
79.05548	1.6
79.93024	0.7
81.03465	2.9
83.01392	6.1
83.56496	0.7
85.02974	4.3
89.02457	17.2
95.01389	1.3
97.02911	1.0
97.06573	1.2
99.04529	65.6
100.04871	1.5
101.02454	36.1
113.02468	10.6
113.06107	2.8
119.03523	5.6
123.04543	8.7
125.02464	22.7
125.34203	0.8
126.02768	1.0
126.20741	0.9
131.03508	2.2
134.03700	1.6
141.05621	2.3
143.03514	4.5
149.04561	2.8
153.05585	1.3
160.01651	5.0
161.04570	5.6
175.04034	6.9
179.05640	2.6
193.05049	0.9
355.03171	0.8
427.15518	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	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36306	1.0
56.51648	1.1
57.03447	1.9
59.01384	62.0
69.18671	3.9
69.19078	4.0
71.01385	22.7
73.02954	2.8
83.01406	1.5
85.02962	21.0
89.02451	21.4
96.96027	1.7
99.04577	1.6
101.02447	14.0
109.10316	1.2
111.00895	12.9
113.02453	9.5
119.03518	9.0
121.03008	1.3
133.01695	18.6
134.02077	7.8
134.03735	7.1
137.02516	1.6
148.04063	23.2
149.02516	2.4
149.04424	14.5
152.07201	5.1
160.01723	4.5
163.03920	1.5
170.07408	2.2
175.00313	1.4
175.04068	4.6
179.05644	1.8
179.10858	1.3
180.03027	16.0
181.03326	8.0
185.09747	3.7
190.02711	4.3
190.33449	1.2
203.10793	85.3
204.11122	5.7
205.05048	3.4
211.13470	1.5
218.15552	1.2
223.07253	3.8
240.03073	1.6
241.03477	1.8
247.09766	100.0
248.10104	7.5
255.05263	1.5
256.05743	2.8
285.02402	2.5
299.04391	3.6
300.04733	10.4
314.06738	4.6
314.10178	2.3
315.07098	13.6
315.10742	3.0
317.04959	6.2
331.07117	1.6
332.07251	6.8
346.09293	7.6
347.09625	44.2
348.09830	3.8
383.20651	3.4
427.05487	2.6
427.15936	27.8
427.20947	2.3
428.16388	1.7
428.26456	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.5
69.56300	2.5
70.28007	4.3
71.01393	28.7
72.87837	2.4
73.02941	15.6
83.01416	6.6
85.02959	14.9
89.02480	2.8
94.62902	2.7
99.00916	3.9
101.02460	34.9
113.02451	17.0
161.04570	17.2
173.55751	3.0
191.61299	3.2
235.11905	100.0
236.12126	6.9
249.06398	3.2
367.16080	60.1
368.16528	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	427.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03461	3.8
59.01385	100.0
61.98843	1.1
69.03449	1.3
71.01385	13.6
71.40427	1.0
73.02953	12.7
83.01400	2.6
85.02975	5.8
87.00888	2.6
89.02442	3.2
95.01383	2.0
101.02450	10.8
105.45429	1.0
111.00877	4.8
111.08195	1.1
113.02446	4.5
119.03485	1.8
134.03780	1.3
137.09752	0.9
138.17607	0.8
151.11281	0.8
160.01692	2.5
161.04594	1.2
163.11314	10.0
165.09230	1.7
175.04037	3.9
175.96771	0.8
179.10817	5.6
181.10771	1.8
181.12355	23.9
182.12680	1.4
187.11284	3.4
189.12831	3.8
190.10033	5.1
203.10851	1.2
205.12335	8.9
217.08910	0.8
223.13411	3.1
247.13464	1.8
263.95462	1.0
427.15762	2.8
427.20230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89129	0.7
55.01878	2.1
55.28537	0.7
57.03456	2.3
59.01384	100.0
59.97309	0.7
60.01743	1.0
61.98830	1.5
67.86127	0.7
69.03464	1.2
70.12202	1.4
71.01389	39.7
71.37295	0.5
72.01733	0.9
72.99320	1.1
73.02950	18.7
75.90606	0.9
80.05989	0.7
83.01394	5.9
83.01743	0.5
83.05047	1.0
85.02956	14.9
87.00900	2.1
89.02452	18.4
95.01407	1.9
97.02967	1.6
99.00884	5.6
99.04562	0.7
101.02448	21.8
101.03102	1.2
113.02458	17.4
115.05511	3.5
119.03500	4.4
125.02503	2.0
129.10478	0.8
131.03535	3.1
143.03569	2.6
149.02498	0.7
149.04579	3.2
151.04175	0.9
159.03006	1.4
160.01736	2.3
161.04567	11.7
175.04092	2.8
176.69827	0.7
179.05707	0.9
191.05611	1.1
205.12402	1.5
223.13440	4.0
233.06699	1.4
237.15048	2.1
265.14603	1.2
269.70816	0.8
289.14474	0.9
293.08957	1.2
293.16153	1.1
295.11893	17.3
296.12344	1.7
335.12030	0.8
413.11179	0.8
427.15787	18.8
428.16479	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98836	36.0
65.83953	1.3
69.45903	5.7
71.01383	3.2
91.04016	2.4
95.01402	1.9
98.21860	2.7
99.92592	4.3
109.02931	1.6
116.92887	1.3
118.76682	1.2
118.90014	2.6
119.94711	10.2
139.94600	1.5
152.10959	1.2
153.89879	1.2
177.14970	1.3
221.11578	4.9
230.08353	1.8
260.10294	3.8
275.20169	2.0
282.53549	1.3
289.18106	3.6
293.21201	14.3
307.19150	7.3
311.22302	5.1
329.17197	5.6
339.13986	1.5
357.29709	1.7
367.14792	3.7
396.10995	1.6
428.13980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.1
70.00845	18.7
70.01228	22.5
70.68395	9.4
71.39818	12.5
76.13792	9.3
77.69482	9.0
82.04090	8.8
85.08850	8.8
93.22730	9.7
99.92587	11.8
115.92083	25.0
116.92878	38.0
117.22131	10.1
180.03017	15.0
186.05595	14.2
220.14662	13.8
221.15469	41.0
230.08235	53.9
309.20770	17.3
347.43439	10.4
391.11972	11.4
396.10989	100.0
427.27283	27.5
428.13358	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44069	23.2
65.42808	22.0
69.36103	46.9
69.36505	76.8
71.01412	36.2
98.22552	51.4
116.92894	24.5
120.72501	27.2
186.05556	32.9
309.20663	100.0
406.96729	24.3
427.27121	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33720	1.0
69.71053	2.4
69.71416	2.1
94.39320	1.2
108.02190	1.1
122.02522	3.3
133.01724	4.0
134.02562	2.0
134.03741	1.4
146.02504	2.9
148.00381	1.5
149.01100	1.4
150.01920	2.6
151.02791	1.6
158.02493	2.9
159.03242	5.6
162.02002	5.7
162.03127	1.2
164.03613	1.3
166.01497	2.3
172.04141	1.3
174.03352	1.5
174.05609	25.4
180.03098	2.3
181.02388	1.2
181.03780	6.4
182.04675	2.7
182.32242	1.1
186.05615	22.4
187.06371	4.5
188.04829	2.7
196.06073	2.2
202.06566	2.5
202.08702	2.4
203.07185	3.1
230.08237	74.3
231.06595	2.0
231.08614	6.6
279.05365	1.6
280.06293	2.8
280.09744	1.4
284.02097	1.6
291.08737	1.5
294.07709	3.2
296.01990	5.1
299.04367	4.6
308.09369	1.7
309.10046	3.2
310.03540	3.0
314.06784	1.6
319.08301	1.6
323.07980	1.9
324.05066	1.4
331.07040	1.5
336.08853	2.4
337.09644	3.2
338.06924	5.7
340.08356	3.3
346.09518	1.4
352.08264	3.6
352.12131	2.3
353.09296	1.5
384.10645	1.6
396.10907	100.0
397.11249	11.8
428.13516	41.4
428.19183	2.4
429.13910	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	428.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	2.0
69.85213	0.9
69.85516	1.6
77.64608	0.8
82.02983	1.3
83.39346	0.8
95.01402	2.3
96.96003	0.9
98.22701	0.9
105.02216	1.1
108.02199	4.9
109.02952	2.7
111.79516	1.0
121.01722	1.1
121.02956	3.0
122.02502	11.5
122.03785	2.1
123.03259	4.1
132.46196	1.1
133.01712	3.2
135.00880	1.2
136.04062	2.2
137.04832	2.5
145.02974	1.2
146.02493	6.7
146.03629	1.9
147.04558	1.7
148.00424	3.5
148.01576	1.4
149.01187	6.7
150.01987	3.9
151.02805	5.8
151.03833	1.0
158.02580	1.7
158.03746	5.4
159.03267	8.7
159.08147	2.7
160.01642	6.6
161.01207	3.6
161.02414	1.4
162.01933	2.3
162.03223	1.2
166.01448	8.9
169.06589	6.9
171.04497	1.4
172.04027	1.3
172.05330	4.0
173.01207	2.8
173.02458	4.0
173.04820	1.8
174.01915	1.3
174.03278	9.4
174.05612	10.6
175.02751	1.3
175.07660	4.1
176.01138	4.2
176.03540	2.4
177.09209	6.5
178.09511	1.1
180.03029	6.8
181.03833	23.0
182.04512	1.5
185.06113	3.4
186.01981	1.1
186.05592	6.5
187.04051	1.2
187.07707	7.7
188.01216	4.7
188.04803	1.6
195.05421	3.1
196.04320	1.9
196.06157	22.0
197.06386	1.5
198.03223	2.4
199.06334	1.8
200.07158	3.7
201.01910	1.4
201.07968	9.7
202.02727	21.3
202.06429	6.4
202.08740	24.9
203.02173	1.2
203.07214	17.6
203.09045	2.3
204.03020	12.7
205.08696	3.0
207.01741	4.0
210.05602	1.0
213.05574	3.8
218.08517	1.1
222.04117	2.2
227.05925	3.1
228.06679	2.2
229.07501	1.0
230.06316	1.4
230.08229	60.8
231.06631	100.0
231.08281	4.0
232.07005	6.2
240.03073	2.0
246.07805	2.1
252.02884	1.8
254.04581	1.0
262.05084	1.4
266.04474	4.8
268.02481	2.1
279.05457	1.7
280.02756	2.2
280.06073	4.3
280.10159	0.9
281.03220	1.1
282.04202	1.4
284.02127	2.3
290.08252	2.0
293.03522	1.0
293.07150	1.0
294.04056	3.7
294.07413	2.1
296.02029	16.4
297.02686	2.2
299.04306	2.9
307.04907	1.7
308.02158	1.3
308.05600	4.5
308.09329	4.2
309.10117	5.4
310.03555	13.8
311.04309	9.7
320.09207	1.6
323.04504	1.5
323.11505	2.1
324.01700	1.7
324.05127	5.5
324.12488	3.2
325.05801	2.6
331.07050	4.8
334.03549	10.8
335.04117	1.1
335.08096	1.2
336.08957	1.9
337.09589	5.9
338.03125	1.5
338.07922	1.7
352.08228	1.7
352.11945	9.8
353.12552	1.4
363.07321	4.2
368.11368	31.5
369.11707	3.3
370.05612	3.4
371.06509	5.9
378.09930	11.6
379.09790	2.0
381.08594	3.2
396.10883	72.6
397.11133	6.9
400.13986	4.2
413.11133	1.6
428.13522	54.8
429.13889	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	428.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.8
69.03465	5.6
78.08009	2.7
97.03049	2.7
100.23787	2.6
125.02462	4.4
133.01712	9.0
135.00897	8.1
136.04083	8.6
148.00443	9.5
165.00648	5.5
180.03012	34.9
180.63962	3.2
195.05385	30.0
206.93933	2.9
213.01933	3.4
240.03088	4.3
241.01424	3.2
284.02060	18.8
299.04300	11.6
316.04697	8.3
331.06995	100.0
332.07266	8.5
334.49310	3.0
350.86279	3.8
383.08170	2.8
427.27179	5.0
428.14029	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	428.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35554	0.4
57.03432	0.5
59.01382	7.0
61.98834	100.0
69.28373	1.6
71.01388	5.3
73.02948	1.6
78.95940	0.5
83.01398	0.7
85.02953	2.2
87.00893	0.7
89.02455	2.8
94.31046	0.3
95.01399	0.5
97.02982	0.3
98.21932	0.5
99.00880	0.6
99.04540	0.4
101.02462	3.0
105.72767	0.3
108.02179	0.3
109.02962	0.4
111.00906	0.3
113.02462	2.0
119.03548	0.8
125.02470	0.4
131.03522	0.6
133.02956	0.5
134.03754	0.9
134.66302	0.3
135.04568	0.8
149.02438	0.3
149.06091	0.4
159.06619	0.4
161.02408	1.0
161.04622	1.2
175.00349	0.6
175.04083	0.5
176.04453	0.4
177.02005	0.4
178.03064	0.3
181.05135	0.7
190.02722	1.5
192.04320	0.5
193.05115	0.5
205.05153	1.2
207.06668	0.8
219.62949	0.3
233.91808	0.3
249.09885	1.0
341.10229	0.4
381.14102	0.6
394.18802	0.4
428.16412	0.6
428.25095	0.8
429.13419	1.2
429.18723	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36669	5.1
59.01384	100.0
60.56334	5.1
61.08910	4.9
69.08804	34.9
69.09203	12.3
71.01385	39.0
71.15147	5.2
72.44142	5.3
89.02447	54.9
98.64957	5.0
101.02454	35.1
110.23266	5.2
113.02460	14.0
119.03516	26.3
141.23715	4.8
179.05615	21.8
180.03098	9.7
223.13394	7.4
226.85559	5.3
300.19131	6.3
316.04709	10.1
428.19742	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	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
66.92859	11.6
66.93215	8.7
69.09032	56.8
69.09437	19.4
71.01381	52.0
75.52616	8.3
75.87837	8.3
85.02960	18.7
89.02454	78.9
101.02473	34.3
107.58973	8.9
113.02494	28.6
118.80775	10.5
119.03532	35.1
153.09227	10.9
158.44127	9.0
179.05623	46.3
393.18073	19.1
429.15341	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04796	10.5
61.98804	14.3
70.63251	15.2
84.52123	9.3
96.96019	20.9
99.92580	36.2
118.89981	100.0
134.89452	30.3
135.90279	11.8
196.65399	10.7
230.08173	25.7
241.55856	11.1
293.21423	16.6
392.13019	16.8
396.10925	54.2
428.13638	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	428.9668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.2
57.15645	0.9
57.36676	0.8
59.01382	10.9
63.27075	0.8
65.00324	1.3
69.80164	1.9
69.80521	1.8
71.01385	5.8
73.02952	1.3
85.02969	2.3
87.00909	1.7
89.02457	6.4
90.97143	2.1
99.00900	1.1
99.04538	1.6
101.02462	4.7
111.00916	2.4
113.02472	2.0
119.03526	1.5
125.02486	1.1
130.08752	11.0
132.98207	7.4
143.89421	0.9
149.04567	1.9
151.03960	1.2
156.98204	3.2
160.97791	1.2
161.04637	1.0
166.96657	1.9
172.97688	1.2
174.99318	2.5
179.05626	1.1
182.99825	3.0
184.97693	13.6
190.02893	0.8
198.99274	3.4
205.05070	1.6
206.95052	6.3
208.97697	1.6
217.00314	2.3
226.98753	20.7
227.99141	1.3
230.95061	3.1
232.96515	1.1
237.10004	1.1
245.52986	0.9
248.96060	20.5
254.95053	1.9
258.94415	0.9
264.95493	1.7
272.09921	1.1
272.96121	11.3
274.94513	1.4
274.97614	4.7
276.95551	0.9
282.94498	1.6
284.10815	1.6
288.07587	4.9
290.97260	2.3
296.32013	0.9
296.96140	3.6
297.11835	1.1
298.97614	5.6
299.00589	1.0
300.95584	9.6
314.97131	20.4
316.98703	20.0
324.95557	1.5
330.96664	2.9
342.96625	100.0
343.96918	4.5
368.94547	44.5
369.14090	2.7
369.94824	2.2
386.95871	1.6
419.57071	0.9
429.15573	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	429.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46235	1.0
55.01863	1.0
59.01126	1.0
59.01387	11.2
61.98816	3.6
65.00306	1.0
69.54446	4.6
71.01389	11.5
73.02950	3.3
75.99944	1.1
77.46479	1.0
83.01386	2.5
85.02959	6.0
87.00856	1.2
87.57625	1.1
89.02443	3.4
93.03431	1.8
96.95980	1.2
99.00869	1.2
101.02454	8.5
113.02427	3.7
119.01391	4.7
119.03469	1.5
121.02925	3.3
134.03754	12.5
135.04485	2.5
147.00873	7.3
149.02451	11.7
149.06039	3.1
152.01128	1.6
160.07649	4.3
161.02429	2.0
161.04521	2.3
162.03200	1.4
163.03986	3.7
164.04836	10.5
165.01959	1.6
166.08733	1.0
173.54521	1.1
175.00377	40.5
176.00729	2.4
178.02658	4.6
179.07188	2.4
189.02002	1.8
190.02734	92.3
191.03102	4.3
193.05072	5.5
202.08681	4.4
205.05070	100.0
206.05373	5.7
208.03853	2.7
209.04486	1.7
223.06142	16.0
223.08215	2.2
399.09155	3.2
414.11444	3.9
429.13907	95.8
430.14200	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	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51221	0.6
55.01890	0.6
57.03446	0.6
59.01126	0.7
59.01383	6.4
61.98832	10.0
68.75894	0.6
69.83310	1.4
69.83665	1.2
71.01392	5.5
71.06458	0.6
73.02943	3.2
75.00838	0.9
76.13168	0.6
83.01386	1.6
85.02956	4.0
87.00848	1.1
89.02466	1.5
91.01878	1.7
93.03452	1.3
99.00847	0.7
101.02442	6.0
104.52768	0.6
106.15756	0.6
107.05042	0.8
113.02448	2.6
119.01385	4.6
119.16111	0.7
121.02969	2.8
127.75232	0.7
134.03738	1.9
134.12875	0.6
135.04517	2.5
147.00896	6.8
147.04514	0.8
149.02466	9.7
150.03270	0.8
161.02452	1.0
161.04529	1.3
163.04002	3.0
164.04808	11.9
165.01917	1.2
165.05328	0.6
175.00375	31.0
176.00780	1.4
176.04819	0.7
179.07112	2.0
189.01857	1.0
190.02727	83.0
191.03162	4.2
191.38004	0.6
194.02197	0.9
205.05067	100.0
206.05408	5.8
207.03006	1.1
208.03748	2.1
209.04498	2.4
223.06139	17.0
223.08218	1.4
224.06528	0.8
251.05673	0.6
265.06979	0.7
324.52454	0.6
385.14972	1.3
399.09293	2.7
414.11566	4.2
429.14014	80.9
430.14359	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	429.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21446	1.1
54.89875	1.1
57.79845	1.2
59.01388	26.0
60.44060	1.0
61.98839	25.0
69.31508	4.6
70.43196	1.0
71.01394	17.5
72.61949	0.9
73.02928	3.0
74.02490	1.4
75.00848	1.0
75.49254	1.0
76.03275	1.0
79.87682	1.3
83.01364	2.5
85.02975	5.4
87.00875	1.4
87.83093	1.0
88.04047	1.6
89.02450	7.7
93.03429	1.3
95.01357	1.6
96.96014	1.8
101.02456	11.3
101.23342	1.2
107.05007	1.7
109.02898	3.7
113.02460	5.9
119.01343	2.5
119.03457	1.8
119.04974	1.3
121.02927	3.2
129.10355	1.3
130.08725	1.4
133.02864	2.1
134.03757	53.6
135.02956	1.2
135.04396	4.7
137.02411	2.0
145.06133	1.6
147.00853	3.6
149.02496	7.1
149.06104	19.0
153.01846	5.0
161.02396	1.6
161.04503	2.8
163.03934	1.5
164.04855	5.5
174.99031	1.3
175.00385	20.0
178.02740	15.9
190.02740	47.3
191.03008	1.8
192.04271	2.1
193.05067	29.1
194.02010	1.1
194.05287	2.1
202.08693	2.3
205.05072	52.6
206.05348	3.3
223.06158	11.5
299.20709	1.4
399.09283	1.4
411.22275	1.9
414.11642	2.7
429.13660	100.0
429.23239	3.2
430.14316	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.89668	0.6
59.01383	15.1
61.98806	0.7
64.22588	0.6
65.21077	0.6
66.52048	0.7
71.01382	8.8
73.02959	4.3
75.00864	0.8
80.26109	0.8
83.01390	2.3
85.02970	4.9
88.04038	0.7
88.97105	0.8
89.02446	3.1
91.01885	1.2
93.03491	1.2
95.01353	0.9
96.00934	1.6
98.02489	1.3
99.00893	1.0
101.02460	9.0
107.05029	0.9
113.02495	3.7
119.01390	5.9
119.03510	0.9
121.02975	4.0
130.08778	3.4
134.03738	2.5
135.04547	3.6
147.00905	6.9
149.02455	12.7
150.03157	0.8
151.00377	1.3
152.01140	1.4
161.04565	2.6
163.03999	3.1
164.04817	10.5
165.01979	1.6
175.00372	35.6
176.00822	1.0
179.05453	0.6
179.07109	2.2
189.01974	1.3
190.02727	89.5
191.03159	4.3
205.05063	100.0
206.05429	4.7
208.03778	2.4
209.04565	2.2
223.06128	18.3
229.05040	6.8
230.05490	1.0
255.02962	2.4
267.12106	1.0
283.02551	3.0
283.11725	1.3
384.95901	0.7
391.10327	1.8
393.17801	1.5
394.19965	4.9
399.09259	2.7
404.89096	0.8
414.11765	3.6
429.14026	76.0
429.23444	1.9
430.09052	1.6
430.14291	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	429.1407
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
50.46317	0.5
55.01872	0.6
57.03437	1.0
59.01384	26.0
61.98833	1.4
67.29960	0.5
69.03471	0.6
69.28467	3.0
70.19444	0.5
71.01019	0.9
71.01386	10.3
72.99324	0.7
73.02950	8.4
75.00876	1.0
83.01395	2.0
83.69904	0.5
85.02956	5.7
87.00870	1.9
89.02464	4.2
91.01903	1.3
91.05568	1.3
93.03476	1.3
98.02459	0.7
99.00876	1.1
101.02456	13.4
103.04015	2.0
103.30021	0.6
107.05051	0.8
113.02457	3.7
113.03620	0.6
115.04021	1.3
118.24344	0.7
119.01397	5.3
119.03508	1.1
119.04996	0.6
121.02946	3.5
125.02439	1.2
130.08743	2.0
131.03548	1.2
134.03758	2.4
135.04544	39.5
136.04861	2.3
142.43001	0.6
143.03555	1.3
143.11906	0.6
147.00894	7.9
149.02455	10.6
150.03110	1.1
152.01216	1.0
158.77113	0.5
161.02440	0.6
161.04559	1.6
163.04074	3.6
163.06099	2.8
164.04819	10.2
165.01918	1.6
169.05141	0.5
175.00380	33.8
176.00694	1.8
177.01959	0.6
179.07184	2.2
189.01973	1.1
190.02734	90.7
191.03111	4.8
205.05078	100.0
206.05403	5.4
208.03784	1.9
209.04535	2.1
223.06136	17.7
223.08057	1.0
224.06432	0.8
234.02509	0.7
307.96658	0.6
394.19772	2.9
399.09366	2.3
411.22513	0.7
414.11838	3.8
429.14032	80.8
430.14417	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	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54192	0.3
55.01869	0.6
57.03462	0.6
58.63054	0.3
59.01121	0.6
59.01387	6.6
61.98836	6.8
69.43425	1.6
71.01020	0.5
71.01391	6.5
73.02962	2.8
75.00861	0.7
75.74619	0.3
77.73263	0.4
83.01395	1.4
85.02960	4.1
87.00893	0.9
89.02424	0.7
91.01888	1.3
93.03473	1.1
95.01379	0.4
98.21803	0.5
99.00873	1.0
101.02456	7.2
101.25976	0.4
107.05037	0.6
113.02440	2.3
118.98031	0.4
119.01391	4.6
121.02984	2.6
128.03592	0.6
134.03743	1.4
135.04558	2.2
147.00902	4.9
147.04575	0.6
148.39650	0.3
149.02455	9.8
152.01143	1.0
159.02998	0.6
161.02435	0.5
161.04565	1.3
161.05769	0.4
162.03204	0.4
163.04044	3.2
164.03442	0.8
164.04810	10.4
165.01906	1.1
165.05339	0.7
166.69003	0.3
175.00388	29.1
176.00723	1.3
177.01964	0.5
177.22789	0.4
179.07202	1.7
189.02025	0.8
190.02740	79.3
191.03128	5.0
192.04253	0.4
193.01445	0.4
201.55510	0.4
205.05075	100.0
206.05408	5.9
207.02937	0.6
208.03773	1.6
209.04607	1.6
223.06151	16.3
223.08241	1.2
224.06514	0.9
251.05638	0.7
305.99841	0.4
342.39807	0.3
346.35538	0.4
385.14819	0.6
399.09323	2.3
414.11725	4.1
415.12036	0.5
429.14035	74.6
430.14407	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	429.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84937	3.4
57.03436	4.1
59.01385	100.0
61.98835	11.3
64.89082	3.6
69.28108	20.8
69.40907	3.8
71.01393	33.9
73.02951	12.1
78.12854	3.8
83.01420	5.2
85.02966	9.2
87.00880	4.0
89.02441	36.1
98.02459	4.0
99.00902	4.9
101.02448	21.3
109.02940	4.8
113.02456	12.1
119.03501	8.7
130.08736	11.3
131.03532	3.7
149.04538	8.6
149.38353	3.6
153.01852	5.3
161.04570	5.9
175.00319	5.7
190.02751	12.9
205.05122	20.4
205.12283	4.3
223.06120	3.4
257.95142	4.1
283.11844	7.2
318.68643	4.5
393.17752	28.9
394.19482	7.6
424.51166	3.9
429.14291	30.9
430.15573	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.2
57.03454	4.5
59.01385	77.4
60.01715	0.9
60.25263	0.8
61.98821	1.0
69.03451	3.3
69.76443	1.3
69.76807	3.0
70.86690	1.0
71.01388	98.3
72.01694	0.9
72.99299	1.4
73.02952	34.6
73.04066	1.1
75.00874	2.1
81.03463	2.0
83.01402	11.1
85.02957	37.0
85.03479	2.0
87.00880	5.0
89.02454	35.4
95.01385	5.4
96.96031	1.4
97.02974	3.4
99.00891	14.7
99.04512	1.6
101.02450	59.4
111.00842	1.0
113.02464	34.4
115.04008	2.0
119.03483	6.0
119.07307	0.8
124.07626	0.9
124.29974	0.9
125.02456	7.0
126.48442	0.8
129.01962	1.4
130.08763	2.7
131.03499	4.4
135.04546	2.1
140.07259	1.2
143.03542	4.6
149.04584	6.5
153.53749	0.8
159.03012	6.6
161.04573	54.4
162.04910	2.0
179.05598	1.7
190.78119	1.0
191.05650	2.5
205.12299	1.5
207.13792	1.1
233.06696	5.8
249.11276	1.5
251.08093	1.0
293.08926	1.6
297.10086	2.1
297.13446	39.4
298.13858	3.5
299.60471	1.0
387.20300	1.7
392.17130	0.9
400.43637	1.0
429.17648	100.0
430.17957	10.9
443.02545	1.1
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
54.92128	1.5
57.03454	1.8
59.01385	84.2
62.83500	1.4
68.85546	1.7
69.04053	12.0
71.01022	2.4
71.01387	34.5
73.02948	4.7
83.01378	2.1
85.02941	7.0
89.01945	2.9
89.02454	38.4
96.95998	4.6
99.04505	6.7
99.96810	1.5
101.02451	19.2
105.86897	1.4
112.88956	1.6
113.02454	11.0
119.03516	15.2
121.02963	13.7
134.03664	2.0
137.05833	1.4
143.03418	2.4
161.04657	2.0
161.13393	19.1
179.05605	2.8
187.11258	2.0
188.09148	1.5
205.12375	34.0
223.13361	2.7
249.11342	69.3
250.11633	3.9
283.02478	4.5
391.38992	1.7
429.15994	100.0
430.09305	1.7
430.16199	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	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51740	0.6
57.03454	0.9
59.01385	100.0
60.01728	0.7
63.69427	0.5
71.01385	26.8
73.02973	2.4
81.07124	0.8
83.01392	0.9
85.02959	5.9
87.00900	1.2
89.02452	33.9
93.07123	1.2
95.01419	1.6
97.02979	0.6
98.21862	1.9
99.00916	0.6
99.04546	2.4
101.02450	14.0
112.03207	0.6
113.02451	11.0
113.03161	0.9
119.03510	12.4
131.03519	1.2
137.09720	1.1
140.14224	0.7
143.03546	2.1
149.04594	1.3
161.04594	3.6
161.13356	3.6
179.05588	5.7
192.85158	0.7
205.12369	4.3
249.11320	32.0
250.11723	1.9
297.13611	2.1
429.17282	5.4
438.69037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81577	1.1
55.27220	1.0
57.03452	3.2
59.01386	100.0
69.44559	4.6
69.66325	0.9
71.01389	34.6
71.84478	1.0
73.02950	3.0
73.04077	1.6
75.26278	0.9
81.07093	1.3
83.01421	1.5
85.02951	8.7
87.00888	1.1
89.02457	42.9
89.46523	1.0
95.01383	2.5
95.77409	0.9
99.04507	6.2
101.02463	21.7
113.02471	16.0
119.03524	19.3
130.08743	1.6
131.03481	1.7
143.03539	2.8
149.04597	1.2
161.04524	4.1
161.12105	2.0
161.13377	18.8
162.13612	1.4
179.05653	6.6
187.11259	2.0
191.70235	1.1
205.12346	42.1
205.14272	2.4
206.12659	3.0
249.11334	51.3
250.11690	4.1
255.02788	1.1
267.12396	2.0
335.10995	1.1
399.22540	2.0
429.17569	9.7
429.22989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48521	0.5
65.30516	0.4
67.81196	0.4
69.51553	2.1
71.64408	0.5
82.56812	0.6
97.77055	0.5
99.00880	0.6
99.92590	6.4
100.93372	48.0
101.93377	2.9
112.31146	0.5
115.92085	100.0
116.92102	3.9
116.92876	6.8
117.86180	0.5
120.92032	0.5
126.75473	0.5
132.92348	1.3
141.87079	0.4
155.95204	0.6
172.95499	7.0
185.86826	0.4
255.23318	1.1
355.15808	0.9
381.17386	1.1
411.19205	0.5
414.05240	0.5
429.19589	5.6
430.19812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1957
Annotation	Ptilosteroid C
Peak:m/z	Relative Intensity
67.88432	0.4
75.70819	0.4
79.95747	2.0
80.96559	0.4
89.20885	0.4
91.93228	0.3
95.95205	0.6
96.96021	8.7
96.96617	0.6
98.22684	0.9
201.18912	0.4
231.76514	0.4
353.27698	0.5
397.11237	1.0
411.18607	1.9
429.19559	100.0
430.19843	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26829	0.3
57.03453	0.5
58.00596	0.4
59.01383	100.0
60.01709	0.8
62.37148	0.4
66.54028	0.3
67.24252	0.4
69.49626	1.7
69.49955	0.4
71.01387	20.4
73.02959	1.6
83.01406	0.6
85.02953	4.1
85.80533	0.3
87.00892	0.6
89.02450	25.4
89.20200	0.4
95.01414	1.3
98.47559	0.5
99.00890	0.4
99.04543	1.5
101.02454	10.8
113.02459	8.7
119.03509	9.5
122.02478	0.6
131.03540	1.2
137.09731	2.4
143.03520	2.3
149.04575	1.1
161.04578	2.2
161.13397	3.2
179.05623	4.5
187.11272	0.8
205.12376	4.2
249.11340	16.7
250.11859	1.1
429.17249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26829	0.3
57.03453	0.5
58.00596	0.4
59.01383	100.0
60.01709	0.8
62.37148	0.4
66.54028	0.3
67.24252	0.4
69.49626	1.7
69.49955	0.4
71.01387	20.4
73.02959	1.6
83.01406	0.6
85.02953	4.1
85.80533	0.3
87.00892	0.6
89.02450	25.4
89.20200	0.4
95.01414	1.3
98.47559	0.5
99.00890	0.4
99.04543	1.5
101.02454	10.8
113.02459	8.7
119.03509	9.5
122.02478	0.6
131.03540	1.2
137.09731	2.4
143.03520	2.3
149.04575	1.1
161.04578	2.2
161.13397	3.2
179.05623	4.5
187.11272	0.8
205.12376	4.2
249.11340	16.7
250.11859	1.1
429.17249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01711	1.9
59.01387	100.0
59.58350	1.6
61.98835	3.7
69.91093	2.4
69.91423	4.4
91.04035	2.2
109.55454	2.0
129.30132	1.8
149.81252	1.7
152.70738	1.8
226.39734	1.8
275.14587	1.9
295.22946	11.5
314.81699	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	430.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87878	0.9
55.08488	1.0
59.01373	3.8
61.98830	2.2
69.21017	6.6
71.01382	9.4
73.02954	3.5
85.02947	3.9
89.02434	1.7
93.02199	1.3
94.02988	1.8
99.00903	1.1
101.02451	7.2
113.02436	4.7
121.01662	2.6
122.02474	9.0
125.89720	1.0
136.04050	17.6
149.01147	3.6
152.03510	2.9
160.72986	1.1
161.04584	10.9
163.02885	1.1
164.03555	1.2
164.73640	1.1
165.00684	6.8
165.12276	1.1
166.01463	15.4
166.02750	3.2
167.01810	1.2
169.45380	1.2
170.36530	1.4
180.03033	37.8
181.03806	46.9
182.04144	2.4
195.03731	2.0
195.05377	26.6
196.06158	100.0
197.06480	3.7
206.04514	1.3
214.36209	1.0
238.07199	1.7
342.66852	1.1
358.11176	1.3
395.15634	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	430.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19513	0.7
55.87765	0.8
57.49631	0.7
59.01384	4.3
61.98840	4.3
62.25046	0.7
69.36930	4.0
71.01390	7.5
72.00912	3.6
73.02943	2.5
85.02961	2.8
87.00887	1.4
89.02457	2.3
93.03461	5.1
99.00922	1.4
101.02460	5.1
102.51594	0.6
113.02459	3.1
115.06662	0.7
115.58947	0.8
115.75441	0.8
120.00956	1.0
122.02526	1.2
137.02441	7.1
147.04543	10.0
148.00401	2.3
149.01193	48.5
150.01520	1.8
156.11084	0.8
159.03035	1.1
160.04089	3.5
161.04564	6.3
163.02768	0.9
164.03564	5.4
164.07176	29.6
165.07420	1.2
166.02734	4.0
174.01965	1.4
178.05202	1.0
180.03038	53.6
181.03815	31.7
181.05142	1.9
182.04269	1.9
183.38683	0.8
192.03023	1.2
195.05365	9.1
196.06161	100.0
197.06541	4.7
203.02228	1.0
209.89163	0.7
227.93587	0.6
228.77385	0.7
238.07281	1.5
268.09781	1.6
386.20471	1.0
395.15680	4.1
430.22073	0.9
431.12540	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	430.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03444	3.4
59.01386	100.0
61.98827	1.6
69.07944	7.2
69.08344	4.3
71.01027	2.7
71.01390	42.3
73.02945	3.2
83.01395	3.2
85.02953	7.8
87.00885	2.1
89.02454	52.0
95.01395	2.8
101.02449	23.4
113.02454	17.3
119.03518	19.5
120.74923	1.6
120.99625	1.6
121.02927	1.8
123.04530	4.2
125.02513	1.8
125.34736	1.9
131.03545	2.5
143.03506	2.4
147.03308	3.0
151.16423	1.8
161.04567	3.8
175.02797	8.9
176.03505	11.5
179.05635	3.6
190.05083	5.6
203.02255	27.3
203.99182	1.7
204.02997	5.2
218.04591	14.4
220.02531	2.8
235.04907	23.4
250.07240	55.9
251.07645	2.8
267.35583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01389	3.8
61.98838	100.0
71.01385	2.5
75.77320	0.4
85.02966	0.8
89.02457	0.6
95.01437	0.5
97.02984	0.6
99.00866	0.6
99.04570	0.9
101.02470	1.6
113.02512	0.9
125.02485	1.7
125.89968	0.4
156.93008	0.4
161.04599	0.9
167.47775	0.5
190.02901	0.5
191.03081	0.6
206.05452	0.5
430.14325	0.9
431.15848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05503	0.5
59.01382	1.2
61.98838	100.0
67.81506	0.5
69.91982	1.5
71.01411	1.1
73.02956	0.7
80.45814	0.5
84.97530	0.5
89.02476	0.8
98.22556	0.9
101.02442	0.8
115.86213	0.6
125.02469	0.7
161.04633	0.9
166.28270	0.6
187.13849	0.5
419.57709	0.6
430.14694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27271	13.5
56.03615	14.8
59.01381	100.0
66.56184	12.6
69.39185	53.1
69.39587	37.8
71.01376	58.3
75.61372	13.9
85.02972	26.9
89.02474	88.8
101.02448	32.0
113.02496	24.4
119.03494	26.6
161.04536	15.2
179.05638	54.4
256.03757	15.2
385.18210	14.5
393.81332	15.9
394.17963	24.0
436.58173	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.96835	3.7
69.08352	29.2
71.01386	34.7
72.01704	4.4
83.01405	4.3
85.02950	16.5
89.02458	27.4
98.22612	8.8
101.02486	19.7
113.02451	16.5
117.75589	4.2
119.03506	12.3
153.00690	11.8
154.01491	34.7
161.04539	16.0
161.20290	4.1
163.01950	4.6
163.11276	6.0
176.20760	4.1
179.05666	6.8
196.02544	5.0
203.14432	6.3
241.01363	13.3
242.02173	13.2
268.84460	4.3
270.01669	12.1
271.02478	7.4
298.01208	5.4
298.13617	4.4
299.02094	7.8
430.09732	5.8
431.05951	27.7
431.23346	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	430.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76738	4.7
51.05540	4.7
58.86432	4.7
59.01388	100.0
65.57747	4.5
69.51791	21.3
71.01386	40.2
73.02946	14.3
83.01412	4.6
85.02962	11.8
89.02433	19.4
99.00912	4.6
101.02484	33.1
113.02456	17.7
125.09724	8.9
127.32336	5.0
161.04565	17.2
162.04848	5.7
170.44194	5.2
196.63528	5.6
269.08481	5.4
273.98010	5.9
283.06061	12.7
311.05603	17.1
387.20175	7.0
395.19165	10.6
430.17575	24.3
431.10120	7.3
431.18549	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	431.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.6
59.01390	6.3
68.76974	0.5
71.01383	2.3
73.02968	0.7
77.03974	3.1
79.01915	2.1
89.02453	1.3
93.03471	3.2
101.02469	0.8
105.03490	1.4
107.01384	0.7
113.02462	0.8
117.03483	13.9
119.03497	0.5
119.05038	2.4
121.02973	3.6
131.21129	0.5
135.04544	4.0
137.02455	0.7
145.03014	0.8
147.04448	0.7
148.01707	0.6
149.02461	2.5
153.40752	0.6
159.03336	0.5
159.04475	2.7
161.02457	5.8
163.00354	1.2
163.04027	5.0
164.04308	0.6
165.01912	1.0
173.02420	0.6
173.06177	0.8
175.00348	0.7
183.04617	1.2
190.02757	0.7
191.03564	1.6
193.01497	1.0
196.05270	1.0
197.06090	1.7
199.04102	0.6
203.03557	1.6
205.05061	0.6
209.05902	0.6
211.07707	1.6
215.07068	0.6
217.01147	0.5
224.04878	1.2
237.05467	0.6
239.07130	2.9
243.06679	1.1
253.04851	0.8
267.06580	0.6
268.03818	3.4
269.04504	4.1
281.04559	4.1
282.05295	3.6
283.06143	65.4
284.06506	5.5
293.04541	2.1
295.06049	2.0
309.04123	0.7
311.05640	100.0
312.05988	7.1
323.05661	5.5
341.06686	10.9
342.07001	0.8
353.06573	1.2
431.09872	52.5
432.10251	5.9
455.82297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
59.01387	8.8
61.98831	0.7
65.03987	0.6
69.25655	2.5
71.01389	8.2
73.02956	2.9
83.01373	0.6
85.02966	2.4
87.00893	0.5
89.02456	3.5
90.02822	0.5
93.03468	62.1
94.03815	1.4
95.01363	0.9
98.05917	0.4
99.00904	3.4
101.02461	3.8
108.02125	0.6
109.02959	0.6
112.34313	0.4
113.02467	3.1
119.03517	0.7
121.01746	0.5
125.02442	1.3
131.03529	0.6
137.02460	100.0
138.02782	3.0
138.05635	1.3
143.03554	0.6
152.01149	0.6
161.04581	3.5
175.02702	0.8
179.85028	0.5
191.05550	0.6
203.02122	0.8
204.02632	1.2
218.04663	0.7
250.07253	1.4
251.07573	2.2
253.53317	0.5
267.18951	0.5
269.10300	0.7
271.11731	0.5
299.07782	1.5
311.39828	0.4
431.11966	74.1
432.12192	7.5
436.06421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62670	0.9
52.16553	1.0
55.01881	1.6
57.03451	76.4
58.06535	0.9
59.01381	56.3
61.98823	1.2
69.03461	3.0
69.53220	0.9
71.01384	33.9
73.02945	8.6
80.01174	1.1
81.03458	1.6
83.01399	3.5
85.02948	7.1
89.02452	32.1
90.02758	1.1
93.03459	1.8
95.01413	2.4
97.02956	18.8
98.22705	1.9
99.00887	11.4
99.04522	48.7
101.02445	33.8
108.02161	2.8
111.00900	1.1
113.02464	10.4
115.03951	1.2
119.03478	6.6
121.02979	1.4
123.04520	1.1
125.02453	100.0
126.02774	2.8
128.03517	2.1
131.03513	4.3
138.01974	36.2
143.03493	3.2
149.04568	10.4
161.04579	9.1
165.05670	1.3
179.05641	2.0
191.05617	3.9
205.05104	1.6
206.05415	1.4
207.05473	1.4
233.06734	2.7
293.08701	1.5
299.11450	9.2
324.19760	1.2
326.21365	5.9
372.21786	74.0
431.15469	22.8
432.15500	2.3
432.23941	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	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17554	1.1
57.03455	79.2
58.03766	1.8
58.14486	1.2
59.01385	14.6
69.03466	3.0
69.27168	7.2
71.01388	8.5
73.02935	2.4
82.26745	1.3
83.01420	1.7
85.02946	4.0
89.02469	6.4
95.01378	2.1
97.02966	14.4
99.04530	44.9
101.02460	17.1
102.97146	1.4
108.02185	2.2
113.02431	2.8
115.86814	1.2
119.03490	1.3
121.02996	1.4
125.02462	100.0
126.02821	3.4
128.13123	1.2
132.02072	1.3
138.00990	1.8
138.01988	21.8
138.05598	9.4
149.04601	1.6
161.04565	5.2
162.05629	22.0
162.85674	1.2
203.05659	2.4
248.21031	1.5
270.11407	15.6
293.08823	2.2
329.08893	1.4
372.21732	5.0
431.15637	1.6
432.15039	2.5
432.24527	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
50.33340	0.9
55.01886	1.5
57.03452	8.9
59.01384	83.5
60.01715	1.5
61.98832	17.6
69.03463	2.4
69.05124	7.1
69.13876	1.1
69.25591	1.0
71.01387	63.0
72.01746	1.0
72.99290	1.3
73.02952	22.2
75.00886	1.0
77.48344	0.9
81.03483	1.1
83.01420	3.1
85.02962	14.1
87.00884	3.7
89.02453	80.2
91.53303	0.9
93.03467	3.7
95.01395	2.6
97.02970	4.2
98.02464	1.0
99.00894	25.9
99.04532	5.1
101.02454	43.0
108.02200	1.4
109.02955	1.5
111.00883	1.3
113.02466	18.9
115.04050	2.4
119.03551	9.2
119.05039	21.1
119.48798	1.0
124.95234	1.0
125.02478	12.9
131.03510	12.5
135.04503	3.2
137.02480	7.3
137.06102	2.3
138.05614	5.1
143.03479	2.7
149.04572	32.9
152.01199	2.9
161.02477	1.2
161.04579	12.7
162.05583	1.0
178.05099	2.4
179.03650	1.3
179.05524	4.1
191.05624	11.9
195.06810	1.1
233.06660	4.8
251.07787	1.9
267.07303	1.8
268.07794	1.4
269.07693	1.1
293.08820	1.9
299.11359	17.2
300.11774	1.1
301.18979	1.2
345.92358	1.0
431.15680	100.0
432.15881	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	431.2208
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
52.19160	0.3
62.96421	0.3
71.49893	0.2
78.52931	0.3
78.95912	55.1
96.96971	6.5
98.22707	0.6
150.98051	1.6
152.99602	100.0
153.99915	1.5
171.00659	3.7
176.63687	0.3
277.21829	0.8
282.99664	0.5
306.88809	0.3
339.27289	0.3
431.22098	4.0
432.22229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.34276	0.3
59.01385	100.0
60.01720	0.7
67.26946	0.3
71.01391	6.0
73.02951	1.0
76.73991	0.3
83.01406	0.6
85.02944	1.7
87.00900	0.6
87.05646	0.7
88.48650	0.3
89.02449	4.8
95.01420	0.4
98.22677	0.7
101.02452	4.0
113.02465	3.0
119.03513	3.3
129.06723	0.5
129.41602	0.3
131.03546	0.4
143.03523	0.9
148.04303	0.6
161.04620	1.7
179.05637	1.7
199.04236	0.4
214.06425	0.3
241.44768	0.3
242.05920	1.7
257.08194	4.8
257.10474	0.4
263.14993	0.4
272.10660	1.3
304.09686	0.7
344.15277	0.8
356.11581	1.3
371.21021	0.7
387.20587	0.4
388.14075	1.7
395.19598	0.4
431.19681	2.2
432.13159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.34276	0.3
59.01385	100.0
60.01720	0.7
67.26946	0.3
71.01391	6.0
73.02951	1.0
76.73991	0.3
83.01406	0.6
85.02944	1.7
87.00900	0.6
87.05646	0.7
88.48650	0.3
89.02449	4.8
95.01420	0.4
98.22677	0.7
101.02452	4.0
113.02465	3.0
119.03513	3.3
129.06723	0.5
129.41602	0.3
131.03546	0.4
143.03523	0.9
148.04303	0.6
161.04620	1.7
179.05637	1.7
199.04236	0.4
214.06425	0.3
241.44768	0.3
242.05920	1.7
257.08194	4.8
257.10474	0.4
263.14993	0.4
272.10660	1.3
304.09686	0.7
344.15277	0.8
356.11581	1.3
371.21021	0.7
387.20587	0.4
388.14075	1.7
395.19598	0.4
431.19681	2.2
432.13159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.03456	0.6
59.01384	100.0
60.01714	0.4
61.53981	0.3
63.02088	0.3
69.20272	1.2
69.20676	0.8
69.42941	0.4
71.01389	5.7
73.02968	0.9
75.00892	1.6
83.01396	0.9
85.02950	2.6
87.00920	0.6
89.02457	4.2
99.00899	0.4
101.02455	3.6
113.02452	2.5
118.66666	0.4
119.03495	2.3
129.05646	0.3
143.03552	0.5
159.03040	0.5
161.04585	2.6
179.05707	1.4
213.53677	0.4
255.02979	0.9
269.13724	0.4
310.60663	0.4
354.84146	0.4
371.20651	1.9
431.09995	1.0
431.22919	3.7
432.23495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.93319	0.7
55.01877	3.0
57.03444	2.9
58.00584	0.8
59.01386	45.0
61.98831	1.3
69.17847	1.5
69.18256	1.9
71.01389	31.4
72.99300	1.4
73.02953	10.4
74.64396	0.7
83.01401	7.4
85.02958	16.7
87.00871	2.0
87.04514	3.5
89.02453	13.7
94.03065	0.8
95.01396	3.0
98.21884	1.5
99.00901	3.8
99.04514	0.8
101.02453	26.3
102.02810	1.1
113.02463	11.9
119.03517	3.6
125.02496	1.0
143.03488	1.4
147.08223	1.3
159.02986	1.4
161.04578	4.4
164.13782	0.6
179.05650	0.9
183.05861	2.5
194.09746	0.7
249.02751	0.7
251.16614	1.1
269.17709	0.8
377.33838	0.6
431.22855	100.0
432.23138	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	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01381	5.3
64.31590	0.4
71.01387	3.8
73.02937	0.7
85.02956	0.8
89.02441	4.6
97.02955	0.5
98.22647	0.7
99.00887	1.5
99.04519	1.4
101.02457	1.9
104.81791	0.4
108.02184	11.0
112.27898	0.4
113.02456	1.0
122.60374	0.5
123.03282	3.4
125.02451	3.1
126.05677	1.3
128.73335	0.4
138.01987	100.0
138.05617	36.0
139.02332	3.0
139.05994	1.5
143.03448	0.5
149.04544	1.0
157.69713	0.4
160.04012	0.9
162.05624	40.4
163.05971	1.7
173.47829	0.5
191.05560	0.6
233.06731	1.5
270.11368	28.0
271.11761	1.9
293.08813	1.6
326.21292	1.2
372.21835	23.0
373.22256	1.4
390.22977	0.5
432.15353	5.3
432.23828	7.3
433.15753	1.2
458.31393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.1
59.01382	11.6
61.98829	0.8
62.72897	0.6
66.95869	0.6
68.01414	0.6
69.03442	0.7
69.12971	2.8
71.01391	8.3
72.49012	0.6
73.02953	1.7
85.02932	1.0
87.67618	0.6
89.02449	11.0
93.03445	0.6
97.02972	1.4
99.00897	2.4
99.04528	1.8
101.02454	3.5
108.02174	11.1
113.02456	2.3
121.02946	0.8
123.03275	9.2
125.02441	5.1
126.02784	0.6
126.05636	2.3
128.24561	0.5
131.03482	1.5
135.04521	1.1
137.17090	0.6
137.52391	0.6
138.01993	100.0
138.05624	97.1
139.02362	2.8
139.06010	3.6
149.04565	1.7
161.04529	1.4
162.05634	72.0
163.05962	2.6
180.06628	1.9
191.05734	1.3
233.06714	4.4
270.11380	45.6
271.11707	4.3
293.08853	3.2
300.10928	0.7
324.19632	1.0
326.21295	2.2
362.65555	0.6
372.21802	29.9
373.22211	2.4
390.22940	0.9
432.15399	13.1
432.23993	9.0
433.15466	1.8
433.24258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42291	0.3
54.43705	0.2
57.03439	0.8
59.01384	10.7
61.98832	3.4
63.99253	0.6
68.01408	0.5
69.03443	0.9
69.80733	0.7
71.01022	0.5
71.01388	8.0
73.02943	2.2
75.00876	0.5
81.03468	0.3
83.01392	0.5
85.02960	1.6
87.00849	0.5
89.02451	11.4
93.62187	0.3
95.05056	0.4
96.96043	0.3
97.02953	1.2
99.00890	2.5
99.04492	0.7
101.02455	3.6
111.00874	0.4
113.02460	1.6
115.04012	0.7
119.03479	0.4
122.02464	0.3
123.03282	9.3
125.02463	5.0
126.02789	0.4
127.04001	0.4
131.03511	2.1
138.05624	100.0
139.05978	3.9
143.03549	0.5
149.04579	2.7
152.01170	0.7
152.07204	0.7
153.01541	0.7
161.04626	1.0
161.08199	0.5
161.74712	0.3
162.05627	0.9
167.03520	0.3
174.17809	0.4
180.06708	2.0
180.35368	0.3
182.08214	0.3
191.05621	1.7
216.07167	0.3
233.06702	4.6
293.08798	4.1
294.09259	0.4
300.10959	1.2
343.72418	0.3
358.12900	0.4
377.58832	0.3
397.17264	0.8
432.15268	15.9
433.15549	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04999	0.3
59.01386	2.0
61.78835	0.3
61.98833	1.0
70.64471	0.3
70.64808	0.4
71.01391	1.2
73.02940	0.5
78.91898	1.8
87.00900	0.5
87.55075	0.3
89.02442	0.6
98.22601	0.3
99.00900	0.3
101.02444	0.5
111.02020	1.2
125.02434	0.8
133.02988	0.3
135.04535	2.3
135.85397	0.3
138.05632	1.5
147.03311	1.6
162.05629	100.0
163.05978	4.5
168.00656	0.5
188.07224	2.0
270.11383	50.4
271.11685	3.9
300.09833	1.0
326.88202	0.3
390.22556	0.4
397.16986	0.5
432.14728	0.4
433.09802	1.5
433.15005	0.4
433.26904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95800	1.4
52.96100	1.3
54.78099	1.4
55.01870	1.6
57.03440	1.4
59.01386	88.8
60.01730	2.2
61.01814	2.5
61.98835	100.0
67.34100	1.4
71.01392	31.2
71.42337	1.7
73.02947	4.0
83.01410	2.0
85.02952	9.7
87.00951	1.4
89.02457	25.0
95.01415	2.8
99.00929	2.2
101.02440	18.1
113.02460	10.3
119.03512	12.5
125.02551	1.6
131.03528	1.9
135.04613	1.3
137.06071	2.3
143.03531	1.7
159.03000	2.3
161.04617	7.2
179.05661	4.3
241.05048	1.6
270.04163	2.4
271.19138	2.8
328.11975	1.9
372.21173	1.6
432.18036	1.7
432.23410	2.7
433.15363	1.7
433.24847	9.8
439.14767	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.82119	4.6
71.01394	46.2
72.01704	5.3
73.02945	17.6
73.89117	4.4
79.28064	4.4
85.02957	13.5
89.02444	25.2
98.21909	15.5
99.68404	4.4
100.19710	4.7
101.02439	33.5
113.02460	13.9
119.03500	7.9
125.02475	6.0
134.02548	6.7
161.04558	9.8
162.05739	6.7
244.51120	4.7
270.04077	8.8
372.21814	16.3
389.21759	13.0
433.20822	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	82.0
63.06797	15.3
71.01398	38.6
73.02932	17.4
84.13794	16.4
89.02435	24.9
101.02460	21.8
113.02483	15.7
119.03442	18.4
139.99431	15.3
161.04492	17.2
236.71077	16.4
250.01642	16.2
305.31235	19.6
312.85294	20.5
389.21860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	2.1
59.01386	100.0
59.44497	2.0
61.98833	5.0
71.01381	10.3
71.40932	2.1
73.02966	2.9
80.56075	2.0
85.02975	3.8
87.00909	3.3
89.02459	7.3
93.03468	10.6
94.03757	3.6
95.01382	3.2
97.02950	2.0
97.91685	1.7
99.00889	3.5
101.02471	3.4
109.02944	2.6
113.02503	2.6
120.01257	3.0
123.00883	8.4
123.51624	1.8
124.01221	3.6
125.02488	3.8
128.11470	1.6
132.60452	2.5
135.04538	2.7
137.02472	17.6
138.02803	6.6
138.05630	11.7
149.06067	6.7
150.05589	2.7
161.04604	3.3
162.05663	25.0
181.04915	2.0
221.04572	1.9
229.82094	1.8
270.11386	10.7
372.21872	8.5
390.23132	2.3
397.17245	8.4
432.12051	17.7
433.09882	4.6
433.14984	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	432.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.6
58.03795	0.7
59.01388	4.0
59.63937	0.2
61.56003	0.3
61.98868	0.2
69.31163	0.6
69.31570	1.0
71.01394	1.1
73.02950	0.3
80.69967	0.3
80.70451	0.2
89.02451	1.2
97.03013	0.3
99.04510	1.7
100.04876	0.4
101.02463	1.0
107.05052	0.4
108.02187	2.4
114.02827	0.3
119.05070	0.7
125.02462	3.0
125.03214	0.3
125.48432	0.3
126.02846	1.2
133.10300	0.9
138.01988	18.9
138.05653	1.0
139.02341	0.8
144.10956	0.3
147.37659	0.2
149.04565	0.6
161.04648	0.4
162.44588	0.2
186.85255	0.3
196.23773	0.3
263.66922	0.2
298.21823	1.0
300.23404	0.6
307.72507	0.2
308.20270	0.3
324.19757	1.5
326.21280	6.7
327.21573	0.6
328.22861	0.4
344.22003	0.3
372.21811	100.0
373.22153	10.1
389.77527	0.3
390.22952	2.0
391.23288	0.3
427.03479	0.2
432.23926	35.5
433.24335	4.2
448.67487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0781
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
52.05418	0.6
57.03452	1.0
57.15766	0.6
59.01382	34.2
60.66445	0.6
60.99292	0.7
63.02414	0.7
65.00333	1.5
69.19797	4.6
71.01379	11.2
72.99340	0.7
73.02948	1.5
83.01397	1.8
85.02966	3.7
85.88288	0.7
89.02442	8.7
95.01399	0.7
97.33031	0.7
99.04525	1.4
101.02447	8.6
106.55402	0.6
107.01408	2.8
108.02205	1.4
109.02957	2.4
113.02465	4.4
119.03534	4.6
121.02918	1.1
125.02477	1.4
135.00858	1.2
143.03529	0.9
148.01674	1.4
151.00381	11.6
155.71541	0.8
161.04536	3.2
162.44247	0.7
163.00394	2.6
164.01167	0.9
178.99849	5.8
179.05595	1.0
183.04617	1.1
185.06114	0.7
187.03911	0.9
199.04042	0.8
211.03926	0.9
215.03520	1.6
216.04370	0.7
226.02742	2.4
227.03568	4.3
229.05090	5.1
239.03537	0.7
243.03043	13.4
244.03262	1.4
245.04546	1.6
254.02345	3.2
255.02991	24.6
256.03500	1.7
271.02496	65.5
272.02872	4.9
273.03909	1.1
283.02499	1.5
299.01840	0.9
300.02771	100.0
301.03494	65.2
302.03952	4.1
433.07761	64.0
433.20224	2.3
433.25159	1.3
434.08145	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	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03447	0.9
59.01385	22.9
69.47970	2.0
71.01025	0.8
71.01389	12.3
73.02956	2.5
83.01403	1.5
85.02968	4.2
87.00863	0.6
87.04500	0.9
89.02452	8.1
95.01392	1.4
99.00894	0.8
101.02452	7.5
107.01394	1.0
108.02165	1.4
109.02959	0.6
111.00893	0.6
113.02465	5.8
119.03540	3.4
121.02975	1.1
125.02446	0.7
135.00948	0.7
135.98790	0.5
143.03532	0.9
147.00786	0.4
148.01643	1.6
151.00366	5.4
159.02927	0.5
161.04601	4.2
163.00386	1.6
164.01158	0.8
178.99892	2.8
179.05605	1.2
199.03804	0.5
210.69559	0.4
211.03995	0.5
215.03645	0.5
226.02704	1.4
227.03523	2.2
233.10410	0.9
243.02998	9.1
244.03270	0.7
245.04556	0.9
254.02188	1.1
255.03012	20.1
256.03427	2.0
270.85489	0.5
271.02505	47.2
271.19186	1.9
272.02939	5.0
283.02353	0.5
299.02051	0.8
300.02777	100.0
301.03455	26.4
302.03943	1.1
343.04514	0.6
355.62152	0.4
433.07800	58.5
433.24567	6.0
434.08185	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	433.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09332	3.1
58.27816	3.0
59.01384	35.4
61.88984	2.9
62.58887	3.5
69.44217	5.7
69.44624	9.7
71.01391	21.8
73.02952	35.7
77.89838	2.6
80.54541	2.9
85.02959	4.2
89.02451	41.4
97.02985	4.4
99.00867	4.6
101.02457	15.8
103.04021	100.0
109.02980	6.9
125.02454	22.0
131.03514	5.1
149.04576	36.8
153.05531	3.2
162.05661	4.1
163.04189	3.3
181.05052	6.9
187.06091	3.2
191.05640	3.0
192.95795	4.5
221.06905	3.5
221.19955	3.0
233.06662	3.5
275.07684	11.6
293.08829	25.3
329.06473	26.6
346.95859	3.6
433.11288	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	433.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.0
61.98813	6.2
67.38242	4.7
71.01394	13.8
71.12874	6.2
73.02975	10.0
75.16959	5.1
78.91902	23.3
83.52228	5.9
85.02954	7.5
89.02471	9.4
99.00943	6.1
101.02444	18.4
123.90605	5.7
134.03777	9.3
149.06099	12.9
150.28496	5.2
158.85310	5.3
159.33513	5.6
161.04585	13.2
162.05583	12.5
192.95911	5.7
207.07637	7.0
264.83627	5.9
265.13013	9.6
271.11887	9.4
383.62335	5.3
397.17169	100.0
398.17624	7.1
401.68060	5.3
402.81223	5.4
433.14789	59.1
434.15567	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	433.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03439	1.0
59.01385	87.0
60.01694	1.6
61.01810	1.3
61.98832	14.1
65.00336	1.2
66.01369	0.8
67.01907	1.0
67.95222	0.9
69.03446	1.0
69.34465	0.9
71.01386	11.1
71.40382	0.9
73.02953	4.1
83.01394	3.5
85.02968	3.6
87.00883	1.4
87.74901	0.7
89.02447	5.0
93.03480	1.4
95.01400	15.3
97.02946	1.0
99.00894	1.8
99.04537	1.1
101.02454	10.6
102.98602	1.6
107.05016	1.0
108.02207	1.4
109.02948	2.2
111.00883	2.9
113.02458	5.3
119.03527	1.0
123.00893	14.4
123.04525	1.7
124.01711	5.7
125.02477	3.9
127.00362	3.0
131.03545	1.5
135.04517	1.5
136.98857	2.4
137.02472	2.8
138.03232	10.9
139.00381	13.9
139.04022	6.0
140.01233	1.0
141.01965	1.2
145.02972	2.0
147.04558	1.7
149.02498	1.9
151.00378	2.1
152.01175	6.2
153.01912	4.8
153.05562	2.6
154.02707	1.4
159.02975	1.1
159.04460	1.2
161.02463	2.7
161.04591	3.0
162.03214	5.4
163.03995	2.5
163.99811	1.0
165.02106	0.9
166.02715	8.6
167.03529	5.1
168.00607	1.1
173.02486	1.2
175.04076	2.5
176.01181	3.0
177.01970	5.3
177.05577	5.4
178.02708	13.5
180.04317	1.9
181.05042	6.2
189.01892	2.5
189.05559	1.7
190.02794	1.0
191.03510	5.9
192.04279	5.7
193.05087	17.1
194.05692	1.0
197.11757	4.4
203.03494	4.2
204.04294	3.9
205.05084	2.0
205.08794	1.1
207.06618	6.7
209.04634	1.5
218.05832	5.9
219.03166	1.2
219.06470	1.5
221.04549	1.7
223.06143	1.6
228.06587	1.0
234.05408	1.9
249.07794	1.4
283.05264	1.4
299.09219	1.1
301.16705	5.6
301.19934	1.2
315.08780	1.5
325.07184	1.2
327.08801	1.0
340.06067	1.2
343.08255	6.2
344.08621	1.4
355.08301	3.5
357.09882	1.2
358.10562	14.3
359.11234	2.6
359.51849	1.0
370.10306	1.2
373.09387	3.6
373.13031	45.6
373.21896	1.5
374.13510	4.8
385.08917	1.5
385.13034	3.1
387.10724	1.1
391.23334	1.7
399.10501	1.0
403.10199	10.4
403.14822	16.5
404.10403	1.3
404.14905	1.2
417.11951	1.1
418.12741	19.5
419.13144	1.6
433.15128	100.0
433.20621	7.8
434.10318	1.6
434.15561	12.6
434.21045	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	35.2
61.98835	1.8
70.12305	1.1
71.01382	11.3
73.02950	3.4
83.01398	3.4
85.02962	3.2
89.02450	6.9
93.88199	1.0
95.01406	4.3
97.02982	1.5
99.00928	1.3
99.19929	1.0
101.02462	7.2
107.05032	3.6
109.02929	1.1
111.00911	2.4
113.02470	5.1
119.03516	2.9
119.05028	1.3
123.00885	8.3
123.04590	1.3
124.01688	8.7
125.02470	3.6
127.00390	2.5
135.04527	5.1
136.98798	2.5
137.02446	3.7
138.03230	14.4
139.00388	17.0
139.01402	1.4
139.04027	9.4
143.03493	1.1
145.02988	4.2
146.03731	1.1
147.04530	4.0
148.01764	1.6
151.00424	2.4
152.01184	2.8
153.01912	3.4
153.05580	3.1
154.02635	1.3
161.02534	1.7
161.04520	1.6
162.03218	7.2
163.04016	6.4
166.02722	6.8
167.03577	2.7
173.02429	2.4
174.03267	2.3
175.04056	3.6
176.01135	2.5
177.01965	2.1
177.05615	7.9
178.02809	3.2
178.06308	1.8
181.05051	3.5
182.45551	1.0
183.08508	2.3
188.01183	1.5
189.02002	4.8
190.02753	2.2
191.03522	4.1
192.04295	2.8
192.08018	1.7
193.05096	4.7
197.11890	2.8
201.01875	1.6
203.03546	7.2
204.04280	5.8
205.05055	2.5
207.06749	1.6
217.05038	1.2
218.05876	12.5
219.06628	3.2
220.03755	1.2
235.06067	1.4
269.04489	1.2
271.05917	1.1
293.04706	1.4
315.08627	1.5
325.03717	1.4
325.07196	2.2
328.05914	1.6
343.08282	11.0
355.08221	6.6
358.10651	21.9
359.10941	3.0
370.10590	2.6
373.12967	78.2
374.13324	9.7
385.13168	6.0
403.10202	10.9
403.14883	14.5
404.10425	1.2
418.12799	13.8
419.12836	1.6
433.15112	100.0
433.20404	6.0
433.24774	3.4
434.15515	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	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33658	0.5
55.01907	0.6
57.03461	1.0
58.00609	0.5
59.01385	100.0
60.01711	1.2
61.98833	0.7
63.45252	0.4
65.94864	0.4
69.04339	1.2
69.04765	2.0
71.01389	17.6
71.01791	0.9
73.02961	5.3
83.01395	2.1
85.02958	5.5
87.00895	0.9
87.04537	0.6
89.02452	16.5
95.01424	1.2
97.02977	0.5
98.22701	0.8
99.00887	0.9
101.02454	13.7
101.03106	0.8
110.33901	0.4
113.02467	9.1
119.03512	8.2
121.59169	0.4
128.50215	0.4
131.03508	1.1
134.03802	0.8
143.03557	1.6
149.04532	0.6
149.06114	0.5
161.04553	4.4
176.93492	0.4
179.05608	2.8
179.69115	0.4
193.05058	0.6
197.11882	0.5
205.00813	0.9
250.81218	0.4
271.02512	0.6
271.19235	1.4
296.61740	0.5
300.02612	0.8
301.05945	0.7
359.09677	1.0
361.19028	1.0
373.22372	1.0
374.11969	1.2
389.14059	0.7
416.48395	0.5
433.15961	0.6
433.24722	6.2
434.24951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.9
57.03458	1.9
59.01386	100.0
61.98839	34.7
71.01392	53.8
72.99320	2.2
73.02956	18.2
83.01412	4.1
85.02967	14.4
87.00896	3.1
89.02452	76.3
90.02821	1.5
95.01391	1.9
97.02978	2.2
97.06550	1.4
98.21829	3.3
99.00897	23.6
101.02452	38.2
113.02460	16.4
119.03511	12.8
121.69834	1.2
125.02470	3.6
131.03525	10.7
143.03534	3.9
149.04562	36.0
153.84431	1.6
161.04614	4.4
175.03951	1.7
179.05678	4.8
191.05663	11.1
228.82205	1.5
251.07887	3.0
300.02640	1.7
301.16522	5.5
311.06860	1.4
373.22296	2.1
433.15027	2.9
433.20261	7.0
433.25446	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	433.2362
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
70.95139	0.6
78.95908	55.5
86.98767	0.5
93.45555	0.4
95.91095	0.4
96.96961	5.9
121.02958	4.2
141.85606	0.4
150.98041	1.9
152.99597	100.0
153.99954	0.9
167.02750	0.7
171.00642	4.0
213.03537	0.9
213.05577	16.5
246.12866	0.4
273.15314	0.4
279.23337	1.3
407.10782	0.9
433.23572	6.5
434.23740	0.7
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
55.01883	6.0
57.03452	4.2
58.00594	1.4
59.01385	100.0
60.01733	0.9
61.13542	0.7
69.03466	1.4
69.51566	3.9
71.01389	86.4
71.05032	0.8
72.99286	1.3
73.02950	22.6
73.08701	0.9
75.00891	1.2
81.03465	3.4
83.01392	9.0
83.04999	1.1
84.02190	1.6
85.02959	35.6
86.03295	1.2
87.00906	3.0
87.04537	2.6
89.02454	49.8
90.02820	1.2
95.01402	7.1
97.02983	1.9
99.00878	7.2
99.04552	3.7
99.51643	0.7
101.02456	61.0
102.02774	0.8
112.58957	0.8
113.02463	38.3
119.03516	20.1
125.02464	2.2
125.07203	0.8
129.02002	1.0
131.03511	2.8
143.03525	7.6
149.04597	1.2
159.03032	6.7
159.06520	0.9
161.04575	33.3
171.13861	1.3
176.15817	0.8
177.80724	1.0
179.05634	8.4
267.01907	0.9
271.19220	6.5
308.33478	0.8
309.26093	0.8
310.88193	0.8
333.19333	2.8
336.53946	0.8
415.23441	4.0
416.24075	0.8
433.24557	41.7
433.31735	3.4
433.94119	0.8
434.24698	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	433.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36629	0.8
55.01883	4.5
57.03453	4.2
59.01385	100.0
60.01702	1.0
61.98840	1.1
69.69080	3.0
71.01389	59.5
71.05042	1.3
72.01707	1.0
72.99300	1.4
73.02953	12.3
77.76041	0.7
81.03455	1.8
83.01393	5.9
85.02959	22.9
87.00879	2.6
87.04534	2.3
89.02451	42.1
95.01398	3.8
99.00898	3.1
99.04520	1.4
100.66343	0.7
101.02449	38.3
107.01392	1.1
113.02461	26.5
119.03510	19.0
125.02483	1.7
131.03590	1.7
133.76802	0.8
137.47620	0.8
143.03511	4.2
149.04575	1.6
151.00426	1.2
159.03021	2.7
161.04575	17.0
173.61830	0.9
173.84773	0.9
179.05655	7.6
203.03711	0.8
209.15842	0.8
243.02951	1.9
255.03040	4.7
271.02457	11.1
271.19141	9.0
290.09726	0.7
300.02786	17.8
300.05936	1.5
301.03494	5.2
333.19312	1.0
433.07913	9.2
433.14963	1.4
433.24573	39.2
434.08160	1.3
434.24841	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	433.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03440	1.7
58.00599	0.7
59.01382	100.0
60.01712	1.3
61.98839	0.9
66.33267	0.4
69.13843	1.0
69.14246	1.9
71.01386	33.4
72.99311	0.9
73.02948	9.1
83.01384	3.0
85.02954	12.0
86.00098	1.3
87.00887	3.5
87.04530	1.8
89.02450	18.5
95.01388	2.6
97.02959	0.5
99.00894	2.7
101.02449	22.5
101.06112	0.4
108.50402	0.5
111.00841	0.7
113.02457	14.0
119.03518	8.3
119.04333	0.6
125.02491	0.9
127.70280	0.4
129.01897	0.7
130.08743	0.6
131.03535	1.7
143.03491	2.7
147.11819	3.0
149.04581	1.0
151.00371	0.5
159.03014	2.0
159.06630	4.5
161.04567	16.6
162.04895	0.8
177.31993	0.5
178.99936	0.6
179.05609	4.6
221.06725	2.0
249.09798	2.6
250.10255	0.5
253.18031	0.8
271.02521	1.6
271.19247	1.7
300.02856	1.6
301.03491	4.9
327.65952	0.5
357.79321	0.4
373.22360	7.3
374.22900	0.5
415.23438	1.5
433.07977	1.5
433.15540	0.7
433.24591	14.5
434.24969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03456	1.3
58.00609	0.8
59.01387	100.0
60.01715	1.0
61.98835	1.1
69.43868	2.2
71.01392	29.9
71.05024	0.6
72.01726	0.8
72.99323	1.0
73.02956	5.0
75.00878	0.6
81.03486	0.8
83.01411	2.8
85.02970	9.5
87.00906	1.9
87.04549	1.2
89.02459	26.5
95.01411	2.9
98.22636	0.8
99.00895	1.9
99.04549	0.7
101.02457	21.5
102.02798	0.6
105.43121	0.4
111.00900	0.5
113.02464	12.9
119.01301	0.5
119.03522	10.9
119.04327	0.8
125.02467	0.6
131.03549	1.2
134.03702	0.8
137.09738	0.5
143.03540	3.0
149.04634	1.0
149.06053	0.7
151.04070	0.4
159.03029	1.1
160.11110	0.5
161.04587	7.5
161.05846	0.6
179.05598	4.4
197.11887	1.1
205.00835	1.0
224.88876	0.5
255.02911	0.6
271.02692	0.7
271.19235	2.5
328.82523	0.6
343.49609	0.5
359.09647	0.6
361.18881	1.1
373.18204	0.6
373.22601	1.6
389.14114	0.5
391.23575	1.0
403.23203	0.6
415.06137	0.5
433.19711	1.0
433.24847	9.5
434.24432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75453	0.2
53.52757	0.2
55.01889	0.3
57.03437	0.3
59.01383	4.2
59.10576	0.2
59.63892	0.2
61.98833	100.0
64.06758	0.2
71.01385	2.0
73.02961	0.9
83.01427	0.5
83.05097	0.2
84.89001	0.2
85.02964	0.8
87.04523	2.5
89.02440	1.0
99.00896	0.3
101.02455	1.7
103.04031	0.8
109.02981	0.4
111.00907	0.2
113.02464	1.1
119.03579	0.2
127.55981	0.2
146.03770	0.6
147.04530	0.4
149.04622	0.2
158.03789	0.3
159.03020	0.3
159.04489	0.5
161.04572	0.7
175.04079	0.5
213.15048	0.6
267.06683	0.4
268.07547	2.1
283.02533	0.3
283.09760	3.8
303.18182	1.4
311.06537	0.3
327.08850	0.5
371.07770	0.7
390.06723	0.2
433.24384	0.8
434.24872	0.4
435.22086	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	434.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00643	0.3
69.03466	0.3
70.19097	0.7
78.95908	6.0
80.45271	0.3
96.95995	0.3
96.96986	0.7
108.02183	46.0
109.02377	0.6
109.02956	1.5
111.98978	0.3
125.06088	0.7
126.99634	1.5
131.08669	0.6
143.07120	1.1
151.03210	0.7
152.99590	9.9
153.99928	0.6
157.06593	2.4
158.03775	1.7
159.04494	0.7
163.07672	0.3
165.04851	0.6
167.02731	0.6
167.06337	14.2
168.06674	0.9
169.06573	0.9
171.00711	0.4
171.04523	1.8
185.06100	7.4
190.31490	0.3
208.07703	0.8
211.05336	2.5
212.04764	2.3
213.05586	100.0
214.05927	7.5
247.98438	0.3
291.19614	0.5
309.20728	1.4
407.10599	6.9
407.15887	0.3
408.10754	1.0
434.24051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40166	2.4
78.95908	26.1
82.60323	2.0
87.53737	2.0
90.56582	1.8
91.01877	4.9
92.27000	1.6
95.34251	1.9
105.65562	2.2
108.02179	20.6
109.02972	8.2
115.99465	1.8
117.41753	1.8
121.02982	4.5
136.60011	1.8
152.99597	41.1
153.99933	2.9
163.11314	5.0
164.23575	1.9
167.06332	12.8
213.03529	4.7
213.05602	100.0
214.05978	6.9
222.05510	3.6
227.58800	2.2
435.25436	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.9
57.42089	0.6
59.01386	19.9
59.37952	0.5
60.49433	0.5
61.98815	0.8
65.69492	0.6
71.01385	6.6
73.02939	1.5
75.00874	0.8
83.01382	0.9
85.02955	2.1
85.94121	0.6
89.02449	4.3
92.02558	4.2
99.00901	0.8
99.04567	3.5
101.02446	4.0
113.02477	2.3
117.04577	3.7
118.02994	9.3
119.03477	1.4
125.02462	1.4
141.04605	2.3
142.04124	60.6
143.04436	2.1
144.05678	6.6
158.13072	0.6
160.01656	2.0
161.04567	1.3
168.05688	59.0
169.06053	2.9
175.02689	0.6
175.03990	3.5
179.05614	0.5
191.05644	0.8
212.04666	100.0
213.05028	5.3
249.83951	0.5
291.14481	1.2
320.71991	0.6
399.12897	4.4
434.15109	1.7
434.20679	1.0
435.22681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.81519	0.2
57.03443	0.3
59.01386	9.1
60.46378	0.2
63.81015	0.2
69.03455	0.6
69.76197	0.4
69.76555	0.4
69.93969	0.2
71.01389	7.7
73.02956	1.9
73.54787	0.2
73.73367	0.3
75.00884	0.3
81.03470	0.5
83.01405	0.5
85.02964	0.9
87.00855	0.3
89.02454	12.9
90.08564	0.2
97.02955	1.0
99.00892	3.6
99.04544	0.5
101.02459	3.9
104.03578	0.2
111.05652	0.3
111.87183	0.2
113.02464	1.3
115.03993	0.5
119.03536	0.5
125.02461	5.2
128.03575	0.8
129.05565	0.3
131.03516	2.4
140.07193	100.0
141.07574	3.4
143.03598	0.4
143.04610	0.4
149.04584	3.3
153.04399	0.5
154.08684	0.3
161.04588	0.9
173.05725	0.4
182.08269	1.4
191.05617	3.2
200.09331	0.6
207.04619	0.2
233.06686	5.6
234.07083	0.4
259.11975	0.3
293.08829	8.1
294.09268	0.6
302.12491	0.7
303.14481	0.2
318.07587	0.3
336.08664	1.1
386.63132	0.2
434.11243	0.3
434.16791	3.9
434.23730	0.7
435.18420	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00442	7.0
65.79045	6.9
68.27292	7.0
82.07632	7.8
92.31403	8.2
93.03476	13.8
96.37179	8.5
111.08120	15.4
125.06097	56.0
143.07158	87.7
159.09380	8.0
164.43924	9.9
184.09247	9.4
197.11864	61.8
224.29460	10.0
291.19760	9.7
309.20755	100.0
419.11868	10.8
435.15076	43.8
435.27835	8.7
436.15509	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	435.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49215	0.7
55.01894	1.2
57.03452	3.7
59.01385	23.6
59.59979	0.6
61.75231	0.6
61.82362	0.7
67.91695	0.7
68.67805	0.6
69.12212	1.4
69.12615	4.0
71.01389	14.4
72.99292	0.8
73.02954	5.6
77.65856	0.7
79.27834	0.7
81.03455	0.7
83.01425	1.7
83.05057	1.4
85.02959	4.0
87.00913	1.2
89.02454	10.1
89.02933	0.8
93.93626	0.6
95.01426	0.7
97.13224	0.6
98.21867	1.0
99.00913	2.2
99.04541	2.3
101.02454	11.8
102.26815	0.7
111.08200	1.3
113.02458	6.1
119.03506	2.4
125.02454	2.4
132.64883	0.7
137.09747	11.6
143.03508	0.9
155.10793	100.0
156.11116	5.1
157.08710	0.6
159.03035	1.2
161.04547	4.8
179.05559	1.4
181.08720	3.0
191.05600	1.1
199.09778	24.2
200.10051	1.7
201.11411	0.8
214.47760	0.7
216.50043	0.7
235.08217	1.2
253.09314	8.5
255.15843	0.7
256.09738	1.9
271.02423	1.0
272.02811	0.8
273.03079	1.5
300.02704	1.0
301.03098	1.7
302.03290	2.4
303.06601	1.3
303.14566	2.4
337.08920	0.7
435.08923	2.3
435.18509	66.6
436.18985	7.0
453.75977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.216
Annotation	Unknow
Peak:m/z	Relative Intensity
77.34708	62.7
98.21866	100.0
131.41588	64.5
132.75865	80.4
136.29028	64.0
136.51981	57.4
325.20026	78.1
374.36179	66.6
423.21500	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.49893	15.0
82.53541	20.1
111.00884	100.0
137.26178	18.6
137.90677	17.7
138.93352	16.3
209.11887	24.5
216.68379	18.2
228.76604	21.5
305.17526	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23768	1.8
72.99309	4.6
78.95903	4.3
83.83791	1.4
97.06573	7.3
97.46313	1.6
112.25838	1.8
123.02176	1.4
125.05210	3.0
125.06094	37.6
143.07150	67.3
144.07460	3.3
152.99583	5.0
165.12840	3.2
181.12401	2.3
191.87280	1.4
193.12320	1.8
202.95514	1.7
211.13374	4.0
221.15549	1.8
240.13638	1.7
242.08179	2.6
247.20624	4.0
273.18658	1.7
291.19611	26.0
292.19931	2.1
309.20734	100.0
310.20981	8.2
391.06052	1.9
435.27740	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	435.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.2
60.12598	2.0
71.40022	2.2
72.99323	4.2
81.03471	2.1
92.20518	2.0
92.21348	2.1
96.96019	4.3
97.06613	6.0
125.06097	33.8
138.43329	2.1
139.07796	2.2
143.07152	67.2
149.12828	2.1
163.11284	5.0
165.12865	7.5
181.12413	2.4
220.30106	2.3
247.20613	7.4
291.19672	57.4
292.20010	7.3
309.20737	100.0
310.21048	6.0
347.32501	2.4
388.86313	2.3
435.27499	12.5
436.28201	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	436.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.0
61.98837	100.0
69.32590	9.0
71.01395	9.0
73.02945	4.1
75.00892	1.8
79.46820	1.5
79.95750	7.0
80.96523	2.9
85.02959	2.6
87.00894	4.0
89.02467	6.9
95.95229	8.4
96.33108	1.5
96.96017	5.0
99.00906	1.9
101.02466	3.0
111.00883	5.0
113.02452	3.9
131.03506	1.6
143.03532	2.1
149.04562	3.9
161.04623	3.2
172.81812	2.0
176.25604	2.0
183.00632	3.3
199.03773	2.0
230.11972	2.8
241.04819	5.4
274.10751	2.7
294.09607	3.1
309.08200	4.3
345.05927	7.1
346.19843	2.8
353.11212	2.3
377.07971	2.2
398.17307	2.2
436.08389	6.2
436.18057	64.4
436.23141	2.2
437.08575	1.8
437.18326	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	436.1801
Annotation	Latrunculone B
Peak:m/z	Relative Intensity
56.31104	0.2
56.31403	0.3
59.01375	0.8
59.38866	0.2
61.21155	0.2
69.03448	0.3
69.94717	0.5
69.95052	0.7
79.95739	11.2
80.32133	0.3
80.96521	2.9
95.95238	12.3
96.96017	8.6
96.96497	0.1
182.29465	0.3
212.76044	0.3
285.85193	0.3
356.22360	0.8
369.32959	0.3
410.63858	0.3
436.17993	100.0
437.18317	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	437.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
57.03446	5.1
58.19364	1.1
58.79023	1.7
59.01383	64.6
62.20289	1.3
68.05040	1.4
71.01389	50.5
71.44871	1.7
72.99313	1.6
73.02953	14.4
83.01384	6.2
84.93811	2.1
85.02960	23.6
87.00884	4.1
89.01936	2.4
89.02447	30.1
93.03451	5.2
95.01380	3.9
96.96004	2.3
97.02966	3.0
99.00900	10.8
99.04523	3.1
99.92584	18.4
100.93365	57.9
101.02449	40.5
101.93404	2.6
111.00833	1.9
112.04066	4.1
113.02470	17.2
113.06001	1.4
115.92089	48.3
116.92132	2.9
116.92872	38.2
117.03480	7.9
117.92889	2.1
118.02993	2.4
119.03552	6.9
119.05029	26.7
125.02447	5.2
126.94927	2.6
129.01942	1.6
131.03482	5.2
134.03745	3.8
135.04523	2.2
136.04051	3.8
137.02455	5.4
142.94411	5.0
143.03494	3.2
145.02962	10.7
145.04004	2.2
149.04561	8.3
152.96490	5.0
159.02971	3.2
161.04570	22.4
163.04016	19.9
168.95993	6.3
173.04750	1.5
188.07207	12.3
191.05611	4.1
192.95903	2.1
194.93370	1.4
200.96535	1.4
201.11305	5.3
202.98024	5.7
210.97041	27.4
211.97141	3.3
217.96771	2.1
218.97546	6.1
228.98015	2.8
230.97511	3.8
232.06154	14.1
233.06577	3.3
234.97064	2.7
246.97038	15.5
247.97044	1.7
262.96515	5.6
276.05081	11.8
278.96057	2.3
291.08746	4.2
305.16074	39.2
306.16495	1.4
357.00732	100.0
358.00922	12.9
436.23416	5.7
437.19540	40.8
437.25006	6.4
438.10214	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1457
Annotation	Fortuneanoside B
Peak:m/z	Relative Intensity
52.86574	0.3
57.03427	1.1
59.01388	11.0
61.98812	0.6
63.65657	0.3
69.90288	0.5
69.90662	0.6
71.01391	4.8
73.02945	2.0
75.00835	0.3
83.01373	0.9
85.02954	3.2
87.00825	0.4
89.02490	1.8
89.02920	0.4
94.89252	0.3
95.01330	0.4
99.00857	1.0
99.04510	0.6
101.02447	4.9
111.00850	0.8
113.02449	2.4
119.03485	0.7
119.89676	0.3
125.02423	0.4
129.01923	0.5
133.49428	0.3
137.02454	0.5
145.02910	0.8
147.04509	0.6
149.04532	0.4
157.02985	0.4
159.03015	0.5
160.01711	1.9
161.04610	1.5
173.02473	2.6
175.04013	2.2
179.05685	0.4
188.04811	5.9
193.05034	0.4
201.01949	3.1
202.02638	1.2
215.03563	0.6
216.04288	7.6
217.04979	1.3
219.02905	0.4
219.48792	0.3
229.01425	17.1
230.01825	1.1
231.06479	1.6
237.07744	0.5
244.03777	62.5
245.04257	4.7
254.54585	0.4
259.06122	100.0
260.03943	0.6
260.06482	7.6
272.06967	0.9
273.08054	0.3
274.08487	69.5
275.08859	5.5
305.15921	2.0
338.83496	0.4
399.12894	2.3
400.13568	0.5
407.09869	1.7
419.23019	0.9
422.12296	4.8
423.12482	0.6
431.29749	0.4
437.14633	37.7
437.24127	13.9
438.14825	3.7
438.19370	0.2
438.24438	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03453	2.8
59.01382	8.4
60.51218	0.5
61.98827	1.5
70.74680	0.8
71.01390	5.0
73.02950	1.8
83.01390	0.6
85.02950	1.7
87.00880	0.8
89.02453	1.8
93.03474	1.0
99.00899	0.9
99.04532	2.2
101.02449	3.7
108.04601	0.8
111.00883	0.7
113.02467	1.0
114.05629	0.8
125.02423	1.0
129.01988	0.8
134.16656	0.5
136.01617	0.5
137.02446	1.9
155.10789	1.0
161.04538	1.6
173.02400	2.5
179.11206	0.6
188.04793	4.7
201.01938	2.3
215.03519	0.6
216.04286	6.2
229.01430	17.2
230.01762	1.0
231.06644	1.2
244.03781	60.1
245.04192	4.2
259.06128	100.0
260.06430	5.9
264.80756	0.5
272.06796	1.5
274.08496	82.5
275.08832	6.3
293.16165	1.4
304.70309	0.5
305.15820	0.7
330.94830	0.5
341.43985	0.6
347.53897	0.7
352.13037	0.6
403.29678	0.7
422.12296	1.6
437.14532	24.0
437.23975	4.2
438.14673	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	437.2031
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
55.01876	6.1
56.18352	0.9
57.03456	7.0
58.00583	0.9
59.01386	76.1
69.03466	2.8
70.53961	0.9
71.01389	100.0
71.05013	2.2
72.01705	1.7
72.99294	1.1
73.02953	41.7
73.76990	1.0
75.00872	2.3
81.03460	1.7
83.01398	12.0
85.02962	46.0
87.00874	5.2
89.02454	50.8
95.01399	7.3
97.02962	6.7
99.00885	20.5
99.04528	2.3
101.02454	68.1
110.56789	0.9
111.00888	2.2
113.02467	33.6
113.03261	1.8
115.04016	3.2
119.03507	4.3
125.02459	11.0
129.01964	1.8
131.03510	8.6
137.02386	1.1
143.03578	5.5
143.10799	6.7
149.03499	1.4
149.04576	16.5
159.03006	8.3
161.03218	1.8
161.04572	36.3
179.05617	1.3
184.47993	0.9
191.05687	5.3
233.06650	10.5
242.00693	1.0
246.36409	0.9
293.08905	5.9
305.16071	52.0
306.16415	3.4
437.20294	90.6
438.20422	9.6
438.25558	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	8.1
56.30238	1.2
57.03439	5.0
58.00564	1.2
58.19476	1.1
59.01387	91.7
61.98828	2.6
69.03465	2.6
69.30624	2.3
69.31027	4.8
71.01392	89.9
72.99295	1.3
73.02954	41.1
75.00869	2.2
80.27629	1.2
81.43816	1.1
83.01391	13.8
85.02959	43.1
87.00879	4.8
89.02457	50.1
90.70327	1.1
95.01387	6.5
97.02984	6.5
99.00891	18.9
99.04520	1.7
101.02457	73.0
102.02801	2.6
111.00887	3.7
113.01714	2.3
113.02463	34.9
115.04020	2.9
119.03510	9.6
125.02448	10.0
129.01921	1.8
131.03493	8.6
136.90771	1.1
137.64609	1.2
143.03491	5.2
143.10780	5.6
149.04587	15.1
159.03001	6.5
161.04578	32.1
170.59361	1.2
175.27754	1.2
179.05566	1.9
191.05649	4.7
201.11510	1.7
233.06619	7.8
293.08749	3.5
305.16095	66.6
306.16458	4.3
437.20276	100.0
438.20734	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	437.2031
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
50.45003	0.8
51.77552	0.8
55.01884	5.4
57.03176	1.4
57.03456	31.9
59.01387	62.7
61.98843	5.1
62.82640	0.6
68.99792	0.7
69.03454	2.6
69.09811	2.9
69.10239	2.5
71.01390	74.9
72.01723	1.1
72.99308	1.9
73.02953	39.5
75.00858	2.2
81.03452	2.4
83.01393	12.9
85.02959	36.1
87.00887	4.6
87.04533	1.1
89.02460	18.0
95.01395	6.1
97.02964	5.3
99.00893	13.8
99.03915	1.2
99.04529	20.1
101.02454	67.1
102.02799	1.0
111.00873	2.6
113.02466	31.2
113.09655	0.8
114.02759	1.2
115.04030	4.0
119.03513	1.1
123.04489	2.7
125.02456	14.2
129.01967	1.3
131.03514	2.7
143.03470	4.7
149.04608	3.6
153.05576	1.2
159.03001	7.3
160.01654	2.7
161.04573	49.6
165.01973	4.4
175.04048	3.8
179.03497	2.1
180.04279	2.3
181.08447	0.7
191.05617	1.9
195.06607	2.3
215.12909	0.8
225.07683	2.0
233.06784	5.3
262.40195	0.9
293.08875	1.8
293.15979	4.4
301.30185	0.9
305.16089	53.3
306.16333	2.3
389.16037	2.2
399.12936	4.3
437.20215	100.0
438.15137	1.4
438.20499	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	437.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01382	1.7
61.98823	0.7
67.01902	5.7
85.02959	43.1
86.03305	0.7
88.98812	1.1
107.05058	0.8
110.03789	0.7
111.00893	100.0
111.08202	1.1
112.01221	2.2
123.04572	0.8
123.08172	1.1
125.09747	3.2
129.01959	37.9
130.02287	1.1
153.09285	0.8
156.24823	0.5
171.10284	2.5
177.21545	0.6
199.13377	1.4
201.11349	4.2
213.11385	2.8
225.28291	0.5
227.12912	1.8
238.12061	0.8
245.19106	1.7
259.42831	0.6
278.11407	0.8
289.18106	7.9
307.19196	10.7
308.19626	1.3
325.20203	12.6
326.20615	1.5
331.22739	1.0
387.02383	0.5
437.21854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07531	0.2
57.03444	0.6
59.01384	0.8
66.10200	0.2
67.01898	8.2
70.70808	0.3
71.05035	0.2
71.37666	0.2
73.02946	0.3
83.05012	0.3
85.02959	21.1
86.03308	0.3
97.06610	0.4
107.05045	0.4
109.06582	1.1
111.00893	100.0
111.08180	1.8
112.01229	2.5
123.08204	0.6
125.06137	0.3
125.09747	3.6
127.11320	0.5
128.03534	0.3
129.01958	19.4
130.02290	0.4
135.04507	0.2
135.08278	0.2
137.09753	0.8
140.15454	0.2
141.09282	0.4
151.04016	0.3
151.11316	0.2
153.09219	0.6
155.10811	0.2
159.11751	0.2
163.14949	0.3
165.09180	0.2
171.10260	1.9
195.10335	0.4
199.13399	0.2
201.11317	4.1
202.11678	0.5
203.10771	0.4
205.12363	0.6
207.13950	0.3
209.11879	1.3
213.11322	3.4
213.13182	0.4
216.24239	0.2
217.15962	0.2
219.13954	0.5
227.12941	2.7
231.10338	0.8
233.15495	2.4
235.17136	1.0
245.19186	0.7
247.09673	0.2
251.12988	0.4
261.15024	0.2
262.15924	0.2
263.12939	0.3
263.20117	0.3
269.22742	0.2
277.14435	1.3
279.16135	2.0
279.19022	0.4
287.23932	0.4
289.18134	2.2
290.18500	0.4
295.12006	0.3
305.13974	0.2
306.14673	0.5
307.19147	8.6
308.19659	0.6
313.21738	1.2
314.21884	0.3
325.20230	12.8
326.20544	1.7
331.22821	6.7
332.23199	0.8
357.20813	1.4
375.21826	1.7
376.22507	0.3
401.20032	0.3
437.21713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15851	19.0
59.01384	40.2
61.98834	21.6
84.12339	24.1
87.24766	20.0
87.34041	21.3
111.00889	100.0
130.60922	20.4
131.71790	21.9
137.66663	24.2
147.02821	20.0
173.06108	28.2
187.04124	25.9
187.07652	29.0
305.11902	43.4
327.21643	35.5
349.14343	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.7
61.98836	100.0
69.01602	1.4
71.01379	3.9
83.01364	2.3
95.42767	1.4
101.02486	2.1
109.18936	1.7
111.00826	2.3
137.30347	1.5
142.93152	1.5
207.68834	1.6
223.24226	1.5
238.32883	1.6
241.09808	1.8
267.28073	1.6
375.20132	2.7
386.26440	2.0
402.00076	1.5
438.08286	4.6
438.20718	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37238	0.3
59.01371	1.6
62.53423	0.3
66.01462	0.3
71.01391	1.1
78.95909	46.2
79.95724	0.3
89.02457	1.1
96.96053	13.7
96.96967	100.0
109.40944	0.3
118.96655	1.5
132.98210	0.9
156.98199	1.4
160.97701	1.0
210.99258	0.4
217.00293	2.3
229.00372	0.4
259.01273	1.1
341.10693	1.1
439.08591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98837	0.5
69.17464	0.8
69.17873	0.7
71.01376	0.8
79.95744	11.3
85.02960	0.8
89.02457	0.4
95.95222	2.0
96.96018	100.0
101.02436	0.8
110.97591	9.4
111.00883	0.5
121.02950	0.5
134.03766	0.6
137.02504	0.3
141.80421	0.3
142.48181	0.3
160.01711	0.8
161.04555	0.4
166.16852	0.2
175.04001	1.1
179.07173	0.5
180.07814	0.3
185.48305	0.3
193.04979	0.4
198.79346	0.3
201.43303	0.3
208.07510	0.3
223.09807	0.6
231.11906	0.4
260.03625	0.9
269.08167	2.5
270.08652	0.3
273.04468	0.5
281.08411	0.4
283.09802	0.5
299.09204	2.1
300.09918	0.4
311.09268	0.8
313.10846	0.4
314.11639	7.2
315.12155	1.2
326.11624	1.7
329.14038	3.9
330.14203	0.7
341.13834	0.6
379.04974	0.4
394.07236	2.7
409.09637	9.9
410.09933	1.2
417.69363	0.3
421.09677	1.9
424.08554	0.4
439.10690	62.2
440.11050	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.6
61.98835	0.4
68.48569	0.2
71.01387	0.8
71.43525	0.2
72.05784	0.2
73.02940	0.2
79.95741	7.7
83.01385	0.3
83.52345	0.2
85.02951	0.4
87.00871	0.4
89.02464	0.2
95.95261	0.3
96.96018	100.0
97.95949	0.3
99.04517	0.3
100.23698	0.2
101.02431	0.6
110.97601	0.6
111.00909	0.6
113.02473	0.2
121.02975	0.5
132.02136	0.3
134.03737	0.5
135.04535	0.2
137.02448	0.9
139.24011	0.2
147.04593	0.4
160.01675	1.4
161.04672	0.2
175.04027	1.6
193.05112	0.3
230.99770	0.2
240.04263	0.3
255.02692	0.2
269.08191	1.8
278.59369	0.2
281.08081	0.3
299.09280	1.5
300.10065	0.3
314.11594	2.1
315.12100	0.4
329.13806	0.2
396.07343	0.4
438.03113	0.2
438.29962	0.3
439.10696	37.4
440.11060	4.3
440.16879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10312	0.2
57.03442	0.7
59.01389	2.4
61.98830	0.6
67.01899	0.2
71.01389	0.9
73.02975	0.5
78.85754	0.2
79.95747	7.6
82.80680	0.2
85.02953	0.7
89.02458	0.4
93.03469	0.3
96.96024	100.0
97.95917	0.2
99.04558	0.3
101.02445	0.8
108.02198	0.3
110.97606	0.7
111.00920	1.1
113.02481	0.4
119.05031	0.3
121.02972	0.6
132.02223	0.2
134.03781	0.5
137.02464	0.7
151.04007	0.3
152.62711	0.2
160.01682	1.4
175.04044	1.3
193.04988	0.4
221.04573	0.2
245.01268	0.3
249.04216	0.3
269.08179	2.2
281.08246	0.3
293.35843	0.2
299.09390	1.4
301.23776	0.3
306.01563	0.3
314.11649	2.2
315.12125	0.4
329.14127	0.3
350.02887	0.3
351.92963	0.2
396.07391	1.2
424.08328	0.3
439.10736	35.8
440.11087	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	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04936	0.6
55.01878	6.2
57.03461	3.8
59.01383	47.5
59.48293	0.6
60.01713	1.0
61.98805	0.9
68.99806	0.6
69.03448	2.5
69.20732	1.2
69.21133	3.4
71.01385	58.1
72.01699	0.7
72.99310	1.4
73.02950	32.9
74.03313	0.6
75.00868	1.6
83.01387	14.0
85.02954	34.2
86.00122	1.6
87.00877	3.6
88.42245	0.7
89.02451	17.5
93.03487	1.1
95.01379	4.2
96.96006	1.6
97.02948	4.1
99.00883	13.5
99.04577	0.8
101.02448	59.8
102.02769	1.1
111.00892	4.8
113.02458	25.4
115.04008	2.1
119.03514	1.9
124.16778	0.7
125.02465	4.4
129.01942	1.6
131.03493	4.4
140.64680	0.6
141.01906	0.9
143.03494	3.0
145.12338	1.9
149.04552	3.2
159.03011	5.4
161.04567	23.6
162.04950	0.8
191.05617	11.2
221.26616	0.8
233.06610	4.1
237.86829	0.8
261.13541	1.7
293.08829	0.8
307.17630	81.9
308.18057	4.6
360.22028	0.8
393.17581	1.9
439.21838	100.0
440.22144	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	439.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.6
57.03457	5.9
58.00583	0.9
59.01383	48.4
61.98801	0.6
67.36346	0.5
69.03453	2.4
69.45547	1.1
69.45947	1.8
71.01385	64.1
72.24480	0.4
72.99317	1.6
73.02948	33.3
75.00875	1.8
78.74960	0.5
81.03454	0.7
83.01393	13.8
85.02954	34.4
85.48584	0.5
86.00095	0.7
86.03278	0.7
87.00874	4.5
89.02447	17.2
93.03481	0.7
95.01389	4.2
96.96026	0.6
97.02953	3.7
99.00886	11.2
99.04536	0.7
101.02449	64.0
102.02795	1.4
109.02929	0.5
111.00916	3.7
112.04023	1.0
113.02453	26.5
114.02789	0.6
115.04008	2.7
119.03465	1.7
122.45165	0.5
125.02460	5.4
129.01967	2.5
131.03505	4.4
137.02451	0.6
143.03468	4.0
145.08688	0.9
145.12387	1.1
149.04565	2.6
159.02991	6.0
161.04562	28.2
162.04880	0.6
173.04585	0.7
179.19231	0.4
187.03891	0.5
188.07211	0.9
189.07535	1.1
191.05620	1.8
215.05731	0.5
232.06152	1.2
233.06650	6.0
276.05042	0.6
277.05499	1.5
293.08884	1.5
307.17630	76.7
308.18011	5.6
343.30194	0.4
344.95404	0.6
359.01114	0.5
395.91791	0.5
439.21881	100.0
440.16348	0.6
440.22284	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	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.3
57.03456	3.4
59.01382	43.7
60.01711	0.6
69.03449	2.2
71.01386	62.7
72.01707	1.2
72.99313	1.2
73.02953	26.7
75.00873	2.4
81.03449	1.0
83.01392	7.2
85.02955	26.3
87.00888	4.1
89.02450	19.2
89.03017	0.7
89.07092	0.6
90.02788	0.6
95.01395	4.3
97.02955	4.4
98.22689	1.6
99.00883	13.4
99.04510	1.0
101.02448	49.1
102.02750	0.5
109.02995	0.6
111.00887	1.5
113.02456	24.9
113.03260	1.2
113.09719	0.9
115.04035	2.8
119.03490	1.3
125.02451	7.4
129.01913	1.3
130.65050	0.5
131.03511	3.9
143.03519	3.6
145.12338	2.4
149.00883	2.8
149.04553	6.0
150.61351	0.5
159.02994	4.6
161.04572	32.7
162.04863	0.8
173.06017	0.6
191.05687	2.9
192.05942	0.5
202.06238	0.7
211.00543	0.6
231.10216	0.6
233.06691	6.3
244.03835	0.8
246.04601	0.9
259.06146	1.4
260.06372	0.7
261.06641	1.0
272.08252	0.6
274.08411	1.3
275.08618	0.8
276.08994	1.4
293.08835	5.5
294.09042	0.7
307.17642	46.0
308.17868	3.7
315.19110	0.6
315.26202	0.6
416.84485	0.6
438.23846	0.6
439.21854	100.0
440.22189	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	439.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24889	0.2
57.03463	0.4
59.01375	0.7
61.75251	0.2
61.98817	0.6
67.01897	7.5
69.03441	0.5
70.52759	0.3
71.98426	0.2
85.02962	9.2
86.03305	0.3
89.04687	0.3
96.96038	0.4
97.02950	0.7
111.00896	100.0
112.01245	2.4
129.01962	4.0
137.09711	0.5
171.10284	4.8
193.47073	0.2
201.11310	0.3
211.13463	0.8
229.14703	0.3
253.08691	0.7
254.09372	0.3
291.19644	0.4
309.20786	0.9
327.21802	20.7
328.22119	1.6
439.23459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	44.9
57.81115	0.5
58.03777	0.8
58.20876	0.6
59.01386	11.9
59.70077	0.6
61.98838	100.0
64.70224	0.6
71.01383	9.9
71.42343	0.8
73.02955	1.3
81.03454	0.9
83.01405	0.6
85.02980	1.3
87.00900	0.7
89.02464	1.6
91.28609	0.6
95.52909	0.6
97.02995	0.7
99.00889	1.5
99.04531	38.4
100.04879	0.8
101.02450	11.7
108.43736	0.6
113.02444	0.9
117.05582	0.7
118.98110	1.7
125.02466	20.7
126.02805	1.1
134.03809	1.6
137.02466	0.8
143.03511	1.4
149.00957	0.8
149.04579	0.8
160.01733	0.7
160.37872	0.6
161.04581	19.1
174.99240	0.6
175.04065	1.6
178.02632	0.9
192.03169	1.1
193.05156	2.2
202.37585	0.7
215.05640	0.9
228.61980	0.7
231.09949	0.7
236.40018	0.7
245.44179	0.6
263.14987	0.7
321.02469	0.7
338.08408	0.8
348.32245	0.7
395.19083	1.3
405.17654	0.8
440.14392	1.1
440.22244	1.2
441.17889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12130	13.6
57.72729	14.4
61.98832	26.3
69.35639	66.5
78.96012	15.4
94.35868	16.1
153.09315	15.8
163.11310	26.0
167.05135	14.3
181.37108	13.6
191.06938	13.7
209.11903	90.5
227.12769	17.0
246.11003	15.4
260.05612	22.9
277.17938	18.9
287.16647	20.3
299.15024	17.1
305.17737	100.0
328.15207	17.0
379.21286	53.1
397.22290	21.6
425.07553	41.6
440.09921	57.2
451.53091	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	441.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94660	1.0
56.71112	0.9
57.03439	1.2
59.01390	8.2
61.43879	1.0
61.91515	1.0
68.77263	1.1
71.01410	6.6
73.02947	3.3
75.67266	1.1
83.01365	1.8
85.02959	5.2
89.02442	1.6
90.64520	0.9
90.99325	0.9
93.03475	1.6
98.22651	1.9
101.02443	6.7
104.85036	1.1
108.27330	1.1
112.76573	1.1
113.02464	3.3
114.05634	1.8
115.04042	5.5
119.05039	93.5
120.05402	4.1
129.10324	1.5
133.05072	4.6
145.03003	4.5
159.02979	1.0
161.04556	2.6
163.04027	100.0
164.04375	4.5
194.62263	1.3
214.45355	1.1
249.13509	7.0
279.08783	1.9
296.93637	1.3
325.09317	9.4
326.09656	1.3
381.17734	16.2
382.18030	1.5
397.24402	1.1
441.13971	24.0
442.14438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.4
59.23246	1.0
61.99702	1.0
64.51633	0.9
66.20168	0.8
69.09768	0.9
71.01400	6.2
71.34286	1.0
73.02950	3.4
85.02974	3.5
89.02455	1.9
89.63551	1.0
97.02954	1.4
101.02456	7.7
113.02470	2.1
115.04051	5.5
119.05043	82.3
120.05385	2.7
125.02341	1.1
126.99606	0.9
133.05074	4.7
139.07651	2.1
145.03001	2.9
161.04521	2.5
163.04030	100.0
164.04373	3.9
188.34135	1.0
205.12447	1.0
249.13388	5.6
279.08868	1.6
279.12125	1.3
325.09424	9.9
375.15570	1.2
381.17783	15.6
382.18085	1.9
441.13977	23.7
442.14313	3.0
457.10532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25864	1.4
51.94368	1.3
57.03453	64.4
59.01385	100.0
64.63487	1.4
69.65330	3.9
71.01018	3.0
71.01389	41.7
72.99316	1.8
73.02954	27.0
81.03481	4.3
82.03021	1.7
83.01398	6.6
85.02956	14.0
87.00885	6.0
89.02450	44.0
95.01400	3.6
99.00901	2.2
99.04527	40.7
101.02451	47.6
101.03109	2.7
104.60573	1.5
113.02473	22.1
114.15827	1.5
117.05578	2.5
119.03512	18.3
123.04519	4.4
125.02460	27.0
127.04049	2.2
131.03520	2.9
135.06647	28.0
143.03505	5.8
149.04475	2.1
149.08652	1.6
161.04572	12.8
179.05612	13.9
200.90323	1.7
201.07730	6.9
221.06648	1.9
236.09370	1.9
279.10928	23.5
297.11917	92.7
298.12216	6.6
328.67706	1.6
339.12982	26.0
379.15952	4.6
441.16150	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	441.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.9
59.01384	97.6
60.88282	4.9
61.98842	7.7
69.04693	6.2
70.12252	5.3
70.78631	10.4
71.01389	57.0
72.99319	9.2
73.02943	17.4
75.00885	8.5
81.77297	5.1
83.01419	8.0
85.02959	25.4
89.02431	28.7
93.03448	5.7
96.96017	9.6
97.02961	5.7
99.00877	13.4
101.02449	49.7
104.50018	5.1
111.00883	7.9
113.02446	23.3
119.05035	40.7
129.48686	5.2
161.04576	23.6
163.04018	40.8
189.05565	31.4
219.06670	38.6
309.15503	33.1
404.72122	5.9
441.19406	100.0
442.13632	7.3
442.19403	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1897
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
51.01457	4.8
53.10989	5.6
54.94414	5.1
56.20636	5.3
57.03451	4.7
59.01394	35.8
59.62240	4.4
61.98824	7.1
67.02406	5.3
69.69759	17.9
71.01390	17.2
71.12140	4.7
73.02943	5.9
85.02965	5.3
85.10333	5.4
89.02457	12.5
96.95988	9.7
99.00885	5.3
101.02425	16.4
107.40177	5.2
113.02441	6.8
123.04626	5.6
127.50511	4.9
141.81660	5.4
149.04701	5.1
150.08914	4.6
161.04549	5.6
279.01938	5.4
309.15524	9.0
441.19284	100.0
442.19476	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	441.1891
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
52.93541	4.6
55.01859	6.7
57.03443	6.3
57.18135	4.5
59.01381	77.2
61.98820	15.6
69.29356	32.0
71.01384	65.0
73.02948	22.8
83.01377	11.0
83.32053	4.3
85.02947	27.1
89.02467	40.4
93.71531	4.8
96.96024	8.8
97.02954	5.1
97.38677	5.1
99.00861	9.8
101.02449	57.3
111.00873	34.3
113.02446	23.8
119.03506	8.2
119.05050	11.6
123.04549	5.6
125.02482	9.5
127.00449	5.6
133.03000	5.7
143.03511	5.6
151.04002	16.7
161.04587	18.3
163.04077	11.0
179.05632	5.8
179.70131	4.9
228.64594	5.1
279.14496	16.7
293.08759	5.5
309.15472	20.5
329.08783	16.9
441.10446	7.2
441.19595	100.0
442.19299	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	441.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33784	2.6
55.01865	4.2
57.03434	5.8
59.01385	87.5
69.47771	12.2
69.87213	2.8
71.01392	49.3
73.02954	26.8
75.00897	4.0
83.01392	13.5
85.02951	25.4
87.00862	4.4
89.02450	11.3
92.92223	2.5
97.02935	3.3
99.00881	5.6
101.02453	47.0
113.02454	17.5
125.02464	5.0
159.02907	5.5
159.72765	2.9
161.04539	18.8
163.04045	7.5
180.20499	2.7
235.11877	88.9
242.80229	3.0
244.94341	2.9
248.05428	2.9
270.42926	2.8
300.50415	2.8
309.15460	9.1
349.81720	3.0
381.17654	100.0
382.17950	9.8
441.19232	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	442.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.6
61.38785	2.5
64.93625	2.4
71.01394	7.3
89.02476	4.4
91.86054	2.4
92.04338	2.5
101.02473	7.2
101.03947	3.9
113.02464	3.2
122.02516	3.8
149.01132	3.2
157.03004	23.9
163.04079	5.5
166.01476	3.5
172.04068	5.5
173.02486	8.0
175.04028	2.6
181.03827	11.8
196.06165	7.3
199.02727	4.3
200.03554	100.0
201.01981	9.2
201.03909	6.5
201.62389	2.9
278.04684	3.1
279.05301	3.2
280.03653	3.7
307.04889	5.5
308.03186	4.0
311.14929	2.9
323.05197	4.1
351.03961	12.9
365.05234	3.0
366.06241	81.3
367.06534	10.3
398.08865	41.3
399.09048	5.8
405.21487	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	442.151
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97890	0.8
85.52507	0.9
86.91260	0.9
90.84450	0.8
109.59458	0.9
133.01721	2.2
134.02469	1.0
134.03755	1.1
136.04062	2.2
146.02478	1.1
148.00426	14.1
152.03586	2.6
158.02536	1.6
159.03252	4.8
162.02011	3.2
165.00639	2.3
166.01389	1.5
174.03267	1.2
174.05623	21.5
180.03059	9.7
181.03763	3.0
186.05614	19.5
187.06313	2.3
188.04842	1.2
195.05347	4.6
196.06129	3.1
202.06343	2.5
202.08315	0.9
203.07188	2.9
230.08240	55.7
231.06615	2.5
231.08603	3.3
279.05219	1.2
293.07108	1.5
294.07867	0.9
295.01044	1.0
298.03745	1.7
306.07883	1.0
307.05008	0.8
307.08453	1.0
308.09299	6.9
309.02841	1.1
310.03497	1.3
313.05960	2.6
323.04245	1.1
323.11441	2.0
325.06006	2.0
336.08655	5.7
337.05865	2.0
345.08450	1.0
351.11224	2.1
352.08194	6.0
354.09897	2.4
366.05896	1.1
366.09946	3.8
380.07831	2.2
384.10892	1.3
395.10229	5.5
396.10880	1.1
410.12482	100.0
411.12854	11.3
412.10480	1.7
427.12701	2.6
442.15106	34.0
443.15363	4.1
451.87241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83098	1.6
59.01363	1.6
60.50553	1.5
61.47767	1.4
61.63057	1.4
61.98827	1.8
77.23312	1.4
92.94183	1.4
127.37531	1.4
133.01717	1.4
135.53743	1.4
143.11732	1.7
145.83351	1.6
161.57578	1.5
175.02715	3.0
176.03531	2.1
200.03532	3.7
228.06578	3.3
229.07410	4.2
230.08208	25.8
237.04298	1.8
265.03879	10.6
267.63376	1.4
278.04593	6.8
279.05362	10.6
280.09811	2.3
281.03293	3.8
290.04578	1.5
292.09677	2.1
293.03259	8.9
293.06512	2.9
295.04788	2.5
298.24908	1.5
306.03769	2.2
306.07626	2.0
307.04932	13.7
308.09326	11.9
320.46469	1.6
321.06400	2.0
332.39124	1.6
334.03738	2.1
336.08817	8.5
337.09546	1.6
363.07501	2.6
378.10059	2.1
395.10120	88.8
396.10306	8.2
410.12491	100.0
411.13000	9.6
442.15189	11.8
443.15234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	2.6
66.32346	2.1
71.44049	2.8
75.13168	2.1
76.49124	2.2
94.62048	2.4
98.88922	2.3
108.02216	3.3
121.02972	3.8
122.03729	6.1
133.01691	3.4
136.04060	5.7
146.02501	2.9
148.00446	5.5
152.07216	15.0
158.03737	3.9
159.03253	4.7
160.01678	7.3
161.01276	2.7
165.00778	4.4
169.06599	6.5
169.22295	2.2
169.25984	2.1
172.05348	4.5
174.03214	7.4
175.07649	2.7
176.01144	3.5
177.09242	6.9
180.03049	22.7
187.07695	8.7
188.01112	4.9
195.05397	25.3
201.07942	7.8
202.02782	20.8
202.06427	4.2
202.08760	14.0
203.07217	11.1
205.08879	2.8
210.07776	5.8
230.08217	24.6
231.06645	100.0
232.07079	4.6
267.01862	2.4
280.09799	3.4
294.08032	2.5
295.01389	4.8
306.35345	2.0
308.09219	4.8
309.02838	4.1
310.03598	5.9
313.06064	4.6
324.05103	5.9
325.05762	6.9
333.02902	3.9
336.08749	13.0
336.32816	2.4
338.06818	3.8
351.11075	6.8
353.95135	2.3
366.13495	6.4
382.12961	25.5
385.08008	3.9
392.11465	8.8
410.12537	47.7
411.12833	5.5
414.15552	4.7
439.82614	2.4
442.15179	31.1
442.25830	4.2
443.15182	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	442.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13590	0.6
53.55074	0.6
57.03455	5.3
59.01386	9.0
61.98834	100.0
69.13683	3.6
71.01375	5.4
73.02962	2.0
85.02990	1.6
87.00854	0.7
89.02476	2.9
98.21907	1.3
99.00903	1.5
99.04543	5.5
101.02461	3.9
111.00876	1.3
113.02464	1.4
117.34248	0.6
119.05009	0.9
120.05350	1.0
125.02475	1.7
132.02196	1.6
134.03738	1.8
137.06107	1.8
143.03407	0.6
160.01686	5.5
161.04703	0.7
163.04033	0.8
173.08195	0.7
174.35413	0.5
175.04019	7.5
176.04335	0.6
193.05115	2.7
207.42647	0.6
235.11974	1.6
277.13199	0.7
345.08762	0.7
379.16187	2.9
442.18048	1.4
443.15469	4.8
456.46429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
61.98835	100.0
67.36311	0.4
69.37519	0.4
71.01398	1.8
71.40977	0.6
72.83668	0.4
74.30489	0.4
75.00880	0.5
75.80119	0.4
85.02998	0.7
89.02480	1.0
99.00912	1.4
101.02477	0.7
113.02434	0.5
119.05058	1.8
132.02251	0.7
134.03716	0.9
136.04094	0.6
142.24271	0.5
160.01695	1.6
163.04054	2.1
175.04016	2.4
180.81509	0.5
193.05037	0.5
195.14532	0.4
199.28339	0.4
267.07248	0.7
443.15799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91110	0.3
57.03455	3.2
59.01383	7.9
61.98837	100.0
69.53519	1.1
69.53924	0.8
71.01385	5.3
72.01758	0.4
73.02957	1.8
75.00869	0.5
83.01414	0.5
85.02972	1.0
87.00883	0.7
89.02459	3.2
92.21243	0.4
99.00906	0.8
99.04546	3.4
101.02451	3.7
105.27293	0.4
113.02473	2.0
117.97079	0.4
117.97878	0.4
125.02482	1.3
127.12627	0.4
128.03629	0.9
134.03743	0.7
135.04640	0.4
137.58270	0.4
160.71078	0.4
161.04590	1.0
167.03500	0.5
174.03297	0.7
175.03880	0.6
181.05034	0.7
183.73051	0.4
190.02777	0.9
202.06491	0.6
203.07179	0.7
205.05241	1.0
230.09227	0.5
231.10287	0.6
235.12013	0.9
247.09383	0.9
262.94238	0.4
263.11310	0.5
311.11255	0.4
379.16367	1.4
392.03296	0.4
395.15536	0.4
411.16937	1.2
441.22559	0.5
442.22678	1.1
442.28021	0.4
443.15976	1.5
443.24954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	9.9
57.48863	0.7
57.51956	0.6
59.01389	13.9
61.98836	100.0
67.05573	0.7
68.22580	0.7
71.01399	4.5
71.07092	0.6
73.02956	2.3
85.02973	1.4
89.02457	4.2
97.85870	0.8
98.21813	1.6
99.04527	8.5
101.02462	6.5
105.00864	0.8
108.82376	0.6
113.02451	1.6
119.03510	0.8
125.02468	2.2
145.02992	1.6
167.03455	1.2
181.93500	0.8
187.07729	1.8
202.06406	2.3
203.07101	1.1
231.10342	2.7
235.11980	2.6
263.11636	0.7
266.15753	0.8
277.12894	1.0
292.79877	0.9
379.16226	4.9
382.18045	1.4
411.16592	4.6
443.15726	1.8
443.21329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58696	4.4
54.48774	4.4
59.01371	9.9
70.21999	4.1
71.01389	12.6
78.39773	4.5
85.02940	6.3
94.81536	4.6
96.96030	5.4
97.10969	4.6
115.00446	5.1
119.25784	5.1
127.07652	13.2
142.46417	4.1
153.09229	17.0
168.24326	5.4
171.10254	16.7
180.58597	4.4
181.03903	4.5
185.11858	16.0
207.01819	5.0
209.11877	35.3
210.04044	6.0
277.80865	5.4
284.02737	5.9
289.18134	14.8
307.19150	100.0
308.19363	8.2
312.15717	18.0
325.20224	59.2
327.21732	43.2
334.52896	4.8
381.22998	18.4
410.04855	7.2
442.07706	18.2
443.17630	40.1
443.22809	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	442.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58696	4.4
54.48774	4.4
59.01371	9.9
70.21999	4.1
71.01389	12.6
78.39773	4.5
85.02940	6.3
94.81536	4.6
96.96030	5.4
97.10969	4.6
115.00446	5.1
119.25784	5.1
127.07652	13.2
142.46417	4.1
153.09229	17.0
168.24326	5.4
171.10254	16.7
180.58597	4.4
181.03903	4.5
185.11858	16.0
207.01819	5.0
209.11877	35.3
210.04044	6.0
277.80865	5.4
284.02737	5.9
289.18134	14.8
307.19150	100.0
308.19363	8.2
312.15717	18.0
325.20224	59.2
327.21732	43.2
334.52896	4.8
381.22998	18.4
410.04855	7.2
442.07706	18.2
443.17630	40.1
443.22809	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	443.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	67.5
60.01698	1.0
69.64335	1.3
69.64717	1.7
89.38721	0.7
89.39376	0.5
98.89037	0.6
102.23339	0.5
102.30565	0.6
115.02541	7.4
117.00450	7.5
118.00550	0.6
128.60576	0.5
141.00438	0.9
157.03586	2.1
159.01509	87.2
160.01624	5.9
174.99202	1.2
176.69382	0.5
201.02568	22.8
202.02802	2.4
205.12019	0.6
215.16299	0.7
217.00397	3.9
236.72128	0.6
241.00500	0.8
259.01596	4.1
283.01617	1.1
285.01465	0.8
301.02679	100.0
302.02832	17.0
317.00739	0.8
359.01840	0.8
361.01230	0.8
401.02899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	7.3
71.20830	4.1
74.66707	3.3
82.32554	3.4
96.96001	8.1
99.91979	7.6
99.92596	100.0
100.92662	5.1
100.93367	25.6
115.92091	37.2
116.92082	7.6
116.92869	88.5
117.85633	4.1
118.89978	46.9
163.04881	3.5
190.76089	4.2
320.03598	5.3
371.09561	18.0
385.07541	10.1
389.10721	21.4
403.08475	9.2
425.08401	15.5
443.09088	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93195	0.9
55.01873	1.5
55.25624	0.8
55.71081	0.9
57.03468	4.6
59.01386	26.8
61.98822	2.1
67.01871	1.2
68.99802	2.7
69.03443	1.6
69.20968	6.2
71.01389	27.6
72.99320	6.0
73.02943	1.9
75.00874	18.9
76.01266	1.0
81.03465	1.1
85.02471	1.6
85.02961	29.0
87.00889	11.5
89.02447	9.9
89.03961	2.4
91.04002	1.7
91.62854	0.9
93.03445	1.0
95.01418	7.0
99.00278	1.2
99.00897	16.2
99.04511	1.2
101.02426	2.9
103.00354	2.7
113.02464	37.9
114.02789	2.0
115.00378	2.5
117.01923	2.8
117.03477	7.1
129.01947	3.2
132.02177	1.9
133.02979	1.7
134.03761	79.7
135.04480	3.8
149.06090	7.3
157.01482	2.8
160.01695	6.1
161.02403	4.5
175.00417	1.6
175.02487	2.4
175.03986	11.5
179.03416	1.7
190.02737	3.6
193.05078	46.6
194.05350	2.2
205.05064	5.3
207.05063	2.1
249.06166	38.5
250.06516	1.3
252.06438	1.8
253.07214	1.7
267.07196	100.0
268.07495	3.4
381.11963	1.9
411.09738	1.8
425.10782	5.6
443.11853	72.3
444.12433	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
60.54410	0.3
61.79811	0.3
68.35040	0.3
68.93850	0.3
68.94331	0.3
69.64655	0.3
70.76226	0.8
71.01389	1.1
73.02959	0.4
75.00876	8.5
79.10413	0.3
79.36685	0.3
83.77448	0.3
87.86846	0.3
89.02461	0.5
93.03475	0.7
94.86168	0.3
113.96867	0.4
117.01985	0.7
119.05037	100.0
119.59927	0.4
120.05373	4.2
134.03772	0.7
135.02995	2.6
160.01714	0.4
163.04022	99.7
164.04353	4.3
175.03961	0.4
193.05025	1.0
281.06717	1.0
297.08066	0.4
325.09277	8.0
443.11856	10.7
444.12332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93195	0.9
55.01873	1.5
55.25624	0.8
55.71081	0.9
57.03468	4.6
59.01386	26.8
61.98822	2.1
67.01871	1.2
68.99802	2.7
69.03443	1.6
69.20968	6.2
71.01389	27.6
72.99320	6.0
73.02943	1.9
75.00874	18.9
76.01266	1.0
81.03465	1.1
85.02471	1.6
85.02961	29.0
87.00889	11.5
89.02447	9.9
89.03961	2.4
91.04002	1.7
91.62854	0.9
93.03445	1.0
95.01418	7.0
99.00278	1.2
99.00897	16.2
99.04511	1.2
101.02426	2.9
103.00354	2.7
113.02464	37.9
114.02789	2.0
115.00378	2.5
117.01923	2.8
117.03477	7.1
129.01947	3.2
132.02177	1.9
133.02979	1.7
134.03761	79.7
135.04480	3.8
149.06090	7.3
157.01482	2.8
160.01695	6.1
161.02403	4.5
175.00417	1.6
175.02487	2.4
175.03986	11.5
179.03416	1.7
190.02737	3.6
193.05078	46.6
194.05350	2.2
205.05064	5.3
207.05063	2.1
249.06166	38.5
250.06516	1.3
252.06438	1.8
253.07214	1.7
267.07196	100.0
268.07495	3.4
381.11963	1.9
411.09738	1.8
425.10782	5.6
443.11853	72.3
444.12433	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	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.55531	1.1
53.94518	1.0
55.01860	1.4
57.03442	1.9
59.01382	50.3
59.40992	0.9
61.98830	12.4
63.89527	1.0
69.94981	1.1
71.01389	31.1
72.99295	1.3
73.02940	5.9
75.00841	1.2
83.01392	4.0
85.02953	10.9
85.29358	1.0
87.00887	2.6
89.02448	20.7
95.01383	4.0
96.96021	1.2
99.00876	2.7
101.02457	23.6
109.02960	2.1
113.02455	12.6
116.05104	1.2
119.03600	6.7
119.04242	1.9
119.05038	33.7
120.05353	1.3
122.67297	1.2
130.06619	4.5
135.04521	11.1
149.06100	1.8
161.02451	3.9
161.04565	3.6
163.04021	41.2
164.04340	3.1
175.04071	1.4
189.12856	1.3
193.04973	1.5
213.03481	1.0
217.00339	1.6
219.06567	1.3
221.04591	4.2
235.06030	1.4
237.14842	2.0
251.11375	9.0
281.06668	2.2
282.09714	1.8
301.05087	13.4
313.43945	1.1
325.09207	4.7
383.10031	1.3
383.15536	3.8
443.12491	6.4
443.19223	100.0
444.19720	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.31326	0.7
55.01878	2.1
57.03435	2.1
59.01385	56.4
59.73407	0.9
69.48563	3.4
71.01389	29.8
72.99312	0.8
73.02948	6.1
75.00882	8.8
83.01372	3.6
83.05036	1.0
83.83508	0.6
85.02958	12.9
86.67036	0.7
87.00864	0.7
89.02458	20.6
92.28411	0.8
95.01392	3.6
99.00861	1.9
101.02454	22.8
111.04522	1.1
113.02469	13.0
119.02763	1.0
119.03526	9.2
119.05016	5.6
123.04527	0.9
123.08225	1.2
144.16577	0.8
145.03044	0.7
148.20139	0.6
159.03030	0.8
161.02417	0.7
161.04500	1.8
163.04031	6.4
189.12852	2.2
193.05228	0.8
194.80684	0.7
213.53424	0.7
219.13802	0.8
220.05081	0.8
237.14987	1.6
256.42688	0.7
263.05423	0.8
278.41083	0.7
305.30750	0.8
443.19263	100.0
444.19601	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	443.1961
Annotation	Aurantiamide acetate
Peak:m/z	Relative Intensity
55.79683	0.2
59.01389	2.9
60.47704	0.2
61.98822	0.2
65.35336	0.3
69.57070	0.5
69.57477	0.7
71.01401	1.2
73.02976	0.3
79.95751	5.0
81.00019	0.3
84.99577	0.2
85.02956	0.6
89.02456	0.7
95.95245	1.4
96.96024	100.0
97.94326	0.2
97.95950	0.4
101.02451	0.6
113.02467	0.7
133.03008	0.5
157.03117	0.3
177.01953	1.9
200.03528	0.7
201.03905	0.5
221.08562	0.8
263.13248	8.8
264.13565	0.8
281.14285	4.6
282.00623	0.3
282.14505	0.3
323.15457	0.7
352.04913	0.3
367.06247	1.5
399.09436	0.4
443.19604	95.7
444.19888	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	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39937	0.5
69.41721	0.5
70.10740	1.5
71.75023	0.6
159.08516	3.8
161.06419	0.8
173.57716	0.5
184.20375	0.6
217.07195	0.9
223.02550	0.6
277.07483	1.8
345.13730	1.0
357.13794	2.1
358.13828	0.7
359.15359	100.0
360.15567	13.4
420.41165	0.5
427.21606	49.8
428.21777	7.9
443.24899	5.5
444.25015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.42297	4.7
82.11633	1.2
93.21926	1.1
98.21848	2.6
99.92599	1.3
108.45548	1.2
125.06305	1.3
127.02819	1.2
130.57709	1.2
165.12834	1.9
178.18068	1.2
181.12547	1.3
217.16504	1.3
231.08630	1.5
291.19717	27.8
309.20737	32.6
310.20844	2.9
337.09207	1.3
352.70291	1.4
411.12857	3.9
439.79279	1.3
443.15942	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	444.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92777	3.9
57.03460	24.4
59.01384	100.0
61.98816	6.2
69.29778	14.5
69.30183	7.3
70.64168	4.0
71.01394	56.3
71.35387	4.7
72.61784	3.7
73.02956	22.0
75.00865	6.2
75.83390	4.5
78.91880	4.2
83.01395	8.4
83.05073	6.1
83.27346	4.2
85.02971	20.3
85.66924	4.5
89.02459	32.5
92.44124	4.7
97.02956	5.9
99.00880	13.2
99.04524	8.5
101.02457	47.5
104.93539	4.5
105.19041	5.0
113.02463	29.3
119.03487	5.1
119.05048	10.4
120.05352	10.9
125.02481	8.2
128.03555	5.8
135.36298	4.6
138.05606	32.3
143.03523	7.8
146.11728	4.1
149.04488	4.7
160.01624	5.7
161.02119	5.0
161.04561	19.7
163.04022	9.5
164.04393	9.8
167.07132	10.7
175.04018	6.4
176.04367	4.3
179.05608	5.5
200.89717	4.1
265.10773	8.5
269.10349	37.0
395.43945	4.8
401.14557	76.7
412.12646	8.0
444.15408	10.7
444.25226	8.9
445.15726	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	444.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	41.2
58.03772	0.4
59.01381	5.0
60.55337	0.4
61.98828	0.7
63.31580	0.4
69.23009	1.6
69.54594	0.3
71.01382	1.3
73.02927	0.5
83.01398	0.5
85.02946	0.4
89.02445	0.5
97.02954	0.4
99.04524	19.0
101.02450	7.2
102.98589	0.5
113.02470	0.7
123.03269	5.7
125.02453	8.6
138.05620	100.0
139.05972	3.2
143.03441	0.5
161.04581	1.0
177.01865	0.6
192.06685	0.9
207.01814	0.8
222.04141	0.9
235.80447	0.4
282.09854	3.5
300.10922	5.2
324.23102	0.4
342.11896	1.0
369.88275	0.4
382.15030	1.3
407.42560	0.4
444.27423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92205	0.5
53.43160	0.5
57.03452	43.9
59.01385	11.5
59.06490	0.6
61.98834	44.3
69.89266	0.7
69.89594	1.4
71.01389	6.3
72.01714	0.7
73.02950	0.9
75.00867	1.4
81.03452	1.0
83.01400	1.0
85.02951	2.5
87.00889	1.4
89.02450	3.5
90.72734	0.6
99.00876	1.1
99.04527	22.6
101.02449	8.6
113.02448	2.9
114.02782	0.9
117.03502	0.8
119.03517	0.7
121.02969	26.1
123.03282	6.2
125.01638	0.9
125.02469	11.6
134.03763	3.1
135.04070	1.1
138.05624	100.0
139.05966	2.5
161.04562	1.8
175.04071	0.6
192.06657	1.0
193.05135	2.1
194.05484	0.7
203.74603	0.6
244.03722	0.6
249.06177	2.0
250.06500	1.1
267.07184	2.9
268.07645	2.9
282.09866	4.8
283.09851	0.7
300.10822	4.8
327.08884	1.9
342.11969	1.2
379.87570	0.6
444.11862	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	444.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47289	0.8
51.73002	0.8
55.59343	0.9
57.03453	40.4
59.01384	22.6
61.98837	18.3
71.01395	8.3
71.12664	1.1
73.02951	2.5
75.00879	1.1
83.01399	1.6
85.02949	2.3
87.00884	1.7
89.02448	8.3
93.03442	0.8
99.00870	1.5
99.03928	0.7
99.04526	18.9
100.38707	0.8
101.02444	11.5
101.03094	1.0
111.00909	0.8
113.02452	4.7
119.03527	2.5
119.05005	0.8
121.02975	24.0
121.03854	1.4
123.03284	6.0
125.02461	11.2
125.54958	0.7
128.03561	5.6
130.08784	1.5
131.03557	1.0
135.04532	1.5
138.05624	100.0
139.05945	3.5
143.03517	0.8
149.02420	0.9
149.04636	1.4
161.04514	4.4
175.00386	1.0
176.00679	1.3
176.04341	1.2
179.05603	1.4
190.02721	3.4
191.03099	2.9
205.05046	3.3
206.05423	3.0
209.11748	1.0
232.10631	1.2
282.09973	3.9
300.10916	5.2
313.13092	1.6
327.08621	1.2
339.20242	0.9
342.12054	1.3
382.15140	0.9
412.16656	1.4
443.24963	1.0
444.15915	6.6
444.25391	4.1
445.16736	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	444.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03464	6.2
58.00577	0.6
59.01386	94.3
61.98836	100.0
69.03452	1.7
69.33554	3.2
71.01392	25.2
72.99313	1.2
73.02940	3.4
75.00875	1.5
79.26653	0.7
79.42126	0.6
81.03437	1.0
83.01411	1.4
85.02971	7.3
87.00912	1.5
89.02455	27.5
95.01393	2.0
97.02963	3.3
99.00880	2.4
99.04523	4.0
101.02459	13.6
106.06636	1.3
107.05038	1.0
113.02466	12.2
119.03513	9.7
119.04918	0.9
120.05419	0.8
121.02933	3.0
123.04551	3.9
123.08133	0.8
124.07700	0.8
125.02435	2.3
125.06071	1.3
128.03558	0.9
130.08746	0.6
130.25883	0.7
131.03513	1.4
133.02910	0.6
134.03705	2.7
135.04065	2.0
138.05634	11.8
138.06688	1.1
139.07693	0.8
143.03465	2.8
145.05174	0.6
146.40762	0.7
149.04510	1.8
151.03973	1.0
151.07639	1.6
152.08408	2.9
153.09235	9.6
161.04584	9.7
166.94287	0.8
167.07068	2.7
168.06625	2.4
179.05638	10.2
179.10706	0.7
190.02687	0.7
191.03017	0.9
191.05562	0.9
193.04993	1.3
194.05283	1.4
203.10770	1.5
205.04939	1.1
205.12396	3.7
206.05295	1.8
209.11757	1.4
221.67155	0.6
223.13429	4.9
247.09567	0.7
250.06361	1.4
253.32370	0.8
265.10812	14.5
267.07065	2.6
268.07355	2.4
300.10699	1.8
327.08295	0.7
380.97137	0.7
385.18747	8.3
412.16605	0.7
444.11676	2.5
444.24393	1.5
445.17172	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	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70194	0.6
57.03453	44.4
58.03785	1.1
59.01382	16.5
61.26505	0.6
61.98834	59.2
66.28703	0.6
71.01391	5.0
71.44984	0.8
72.01721	0.6
75.00864	1.4
75.31158	0.7
81.03447	0.7
83.01381	0.7
85.02950	2.4
86.03278	0.8
87.00877	1.4
89.02464	4.4
91.51829	0.6
93.38592	0.7
95.01396	0.7
99.00896	0.6
99.04521	20.0
100.04839	0.8
101.02448	8.0
107.86047	0.6
113.02485	2.9
114.02737	0.6
119.03541	1.8
119.05067	0.9
121.02968	20.0
121.28963	0.6
123.03288	4.8
125.02457	7.9
134.03796	3.8
134.34274	0.7
135.03127	0.7
135.04112	2.4
138.05621	100.0
139.05966	2.8
149.06055	0.6
161.04549	1.6
167.17484	0.6
175.03976	0.6
179.05655	1.1
193.05116	1.6
194.05356	1.7
249.06172	1.1
250.06424	1.4
267.07132	4.1
268.07541	3.5
273.78925	0.7
279.15198	0.6
282.09769	3.8
299.59677	0.7
300.10904	5.4
327.08890	1.7
342.12076	1.3
382.15262	1.2
444.11609	4.4
456.68869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44550	0.6
57.03460	4.9
58.39441	0.6
59.01385	44.6
60.47495	0.6
61.98836	100.0
69.03460	0.8
69.22401	0.7
69.60015	1.4
69.60374	1.6
71.01390	15.3
73.02974	1.3
75.00883	0.9
85.02959	3.9
87.00878	1.4
89.02450	13.0
95.01400	0.8
97.02981	3.1
98.21938	1.4
99.00924	2.0
99.04564	2.2
101.02438	6.8
106.06704	0.8
107.05058	0.7
109.06607	0.7
113.02456	6.5
119.03510	4.3
119.05060	1.8
120.05386	0.8
121.03014	1.3
123.04588	3.8
123.08208	0.7
124.07711	0.8
125.02486	1.6
128.03625	0.8
133.02992	0.8
134.03741	1.3
138.05650	7.0
138.06746	1.1
143.03545	1.5
149.04604	0.8
151.07701	0.8
152.08467	1.5
153.09244	4.4
159.11908	0.8
161.04567	3.8
163.04015	1.4
167.07118	3.0
168.06738	2.0
177.12892	0.9
179.05597	3.9
190.02811	0.8
191.03029	1.2
193.05147	0.9
203.10880	1.4
205.05109	1.1
205.12512	1.3
206.05464	1.0
222.04170	0.7
223.13525	1.9
226.28410	0.8
251.39166	0.8
265.10849	12.9
267.07443	1.5
268.07822	0.7
282.09656	0.8
299.21017	0.7
300.10876	1.3
309.92825	0.7
385.18933	2.5
412.16898	0.8
444.16040	2.6
444.25049	1.6
445.16931	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70194	0.6
57.03453	44.4
58.03785	1.1
59.01382	16.5
61.26505	0.6
61.98834	59.2
66.28703	0.6
71.01391	5.0
71.44984	0.8
72.01721	0.6
75.00864	1.4
75.31158	0.7
81.03447	0.7
83.01381	0.7
85.02950	2.4
86.03278	0.8
87.00877	1.4
89.02464	4.4
91.51829	0.6
93.38592	0.7
95.01396	0.7
99.00896	0.6
99.04521	20.0
100.04839	0.8
101.02448	8.0
107.86047	0.6
113.02485	2.9
114.02737	0.6
119.03541	1.8
119.05067	0.9
121.02968	20.0
121.28963	0.6
123.03288	4.8
125.02457	7.9
134.03796	3.8
134.34274	0.7
135.03127	0.7
135.04112	2.4
138.05621	100.0
139.05966	2.8
149.06055	0.6
161.04549	1.6
167.17484	0.6
175.03976	0.6
179.05655	1.1
193.05116	1.6
194.05356	1.7
249.06172	1.1
250.06424	1.4
267.07132	4.1
268.07541	3.5
273.78925	0.7
279.15198	0.6
282.09769	3.8
299.59677	0.7
300.10904	5.4
327.08890	1.7
342.12076	1.3
382.15262	1.2
444.11609	4.4
456.68869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.4
59.24958	3.0
60.97430	3.4
61.98833	69.0
69.66474	12.9
71.01388	14.6
71.35172	3.0
78.95918	11.0
85.02950	6.5
87.00881	3.6
89.02470	11.3
93.03460	85.3
96.96019	14.5
96.96985	14.0
98.22602	4.3
99.92578	7.5
100.93340	5.4
101.02459	12.5
102.02764	3.8
113.02512	3.3
115.92093	9.5
119.03545	3.8
119.05044	19.6
120.05371	17.5
123.04527	5.7
128.03549	18.3
129.05577	38.8
135.04562	6.0
137.02451	100.0
150.03293	4.4
151.03979	8.3
163.03954	20.9
164.04361	17.6
188.13391	4.0
192.08202	3.1
245.02190	3.8
282.09750	6.7
315.10965	11.5
326.09589	4.5
379.04007	3.6
384.15881	4.9
444.14197	6.2
444.20703	40.0
445.04208	6.9
445.13559	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	444.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30750	3.6
59.01378	22.2
61.98838	100.0
71.01392	7.9
73.02953	3.8
78.95911	4.0
82.27534	3.0
88.04053	3.5
89.02454	8.5
101.02430	4.4
104.06404	3.2
111.00858	6.2
149.04483	5.5
156.54001	3.8
163.04002	8.9
193.05054	5.5
318.27167	4.8
338.48035	3.6
383.09689	3.5
408.24081	4.2
415.96619	4.0
444.21350	25.0
445.11227	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	444.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41505	10.0
59.01384	16.1
61.98813	12.0
70.15475	22.2
76.72205	9.4
87.00908	14.8
89.58105	9.7
92.94431	7.7
96.96052	9.1
115.48954	9.3
121.02960	15.8
158.73549	9.1
175.07619	12.8
185.11771	10.8
197.11890	31.0
203.07263	11.1
209.11806	23.8
217.08646	18.3
247.06053	24.0
258.92624	9.8
260.10657	13.9
273.04010	9.5
291.19550	12.4
309.20694	51.0
327.21805	100.0
370.65140	10.3
444.13174	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	445.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58971	1.0
57.95772	0.8
59.01384	29.3
69.07080	5.2
71.01388	26.2
71.01786	1.1
73.02954	21.8
83.01421	1.4
85.02961	10.9
89.02454	30.6
89.83727	0.7
95.01408	3.2
99.00888	100.0
100.01228	1.5
101.02456	12.9
113.01717	1.8
113.02464	26.4
114.02809	1.3
116.27249	0.9
119.03496	1.4
131.03520	9.3
143.03493	1.7
148.73135	0.8
149.04567	23.1
151.03900	0.9
161.04581	11.6
191.05632	28.3
192.06023	1.0
201.02109	0.8
214.38185	0.9
233.06718	3.5
269.10214	1.8
274.79550	0.8
321.73026	0.9
360.31821	1.0
401.14807	1.1
405.83530	1.0
445.13495	81.0
446.13818	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	445.1355
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01871	0.9
58.94709	0.6
59.01080	0.9
59.01384	27.6
71.01389	26.5
73.02954	28.2
83.01373	0.8
85.02956	12.1
89.02452	27.4
95.01398	5.0
96.66528	0.7
99.00889	100.0
100.01204	2.2
101.02448	10.3
105.11911	0.7
113.02464	26.1
119.03532	0.9
131.03514	9.6
149.04567	15.3
161.04572	9.6
173.95818	0.6
176.10966	0.7
191.05646	19.9
233.06682	3.0
269.10303	1.0
291.93408	0.7
328.62985	0.7
344.90332	0.7
445.13535	73.7
446.13852	6.4
455.01868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1484
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
50.26076	8.5
59.01382	74.6
71.01395	50.9
73.02954	16.1
89.02457	59.0
99.00890	24.0
101.02443	31.5
123.18520	10.2
149.04562	57.8
151.03972	15.1
161.04543	11.0
171.00664	8.8
191.05576	14.6
221.06596	9.5
251.94312	10.9
371.39816	9.9
409.17224	87.7
445.14676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1907
Annotation	Estrone 3-glucuronide
Peak:m/z	Relative Intensity
54.86653	0.2
55.01878	0.3
57.03435	0.3
59.01384	4.7
61.98831	0.4
69.56193	0.8
71.01392	2.6
73.02957	1.2
79.95747	1.6
80.96525	0.3
81.96885	0.2
83.01383	0.2
85.02965	0.9
87.00874	0.4
89.02440	2.1
95.01378	0.3
95.95233	0.4
96.96020	6.7
98.95594	0.4
99.00877	0.5
101.02457	1.9
113.02460	0.8
117.03441	0.3
119.03500	0.5
119.04986	0.2
131.03441	0.2
135.02986	0.2
145.02945	0.8
149.04556	0.7
161.04568	0.5
163.04004	0.3
187.07646	0.3
191.05652	0.2
198.04117	0.3
210.49007	0.2
215.07146	0.3
233.06958	0.2
241.08566	0.3
248.44383	0.2
297.12372	0.2
301.11169	1.4
303.12448	0.2
313.16556	0.6
331.12161	1.9
339.15924	0.2
369.17459	2.1
387.14926	0.5
413.16370	0.7
427.18100	1.4
445.19058	100.0
446.19403	10.5
459.07675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.37452	0.4
57.03452	2.0
59.01382	100.0
60.01718	0.9
69.54209	1.0
69.54598	0.7
71.01386	16.0
72.99316	0.4
73.02954	1.3
83.01410	1.6
85.02949	2.8
87.00900	0.8
89.02453	21.1
90.02789	0.6
94.15842	0.4
94.45728	0.3
95.01403	0.6
97.06588	1.0
101.02453	15.0
108.02200	0.6
113.02462	4.7
113.17664	0.3
119.03519	12.1
121.06630	0.5
125.48563	0.4
131.03534	1.0
143.03535	1.8
159.02953	0.5
161.04552	3.5
163.11316	0.9
165.09167	0.7
179.05634	7.3
194.41211	0.5
205.12321	0.5
221.11821	0.6
223.13402	6.7
224.13782	0.7
229.12363	0.9
235.13492	1.5
237.15067	1.4
241.85060	0.5
247.13443	1.6
265.14471	4.2
327.08725	0.6
445.21332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32789	0.8
57.43474	0.8
59.01377	2.2
73.02933	1.4
78.95907	6.5
85.02957	1.8
87.04513	2.3
102.02766	0.7
110.98563	4.1
126.16129	0.7
128.70778	0.8
143.07161	2.2
160.89233	2.5
167.01141	2.2
169.89874	0.8
185.02142	4.1
209.08202	1.0
225.22215	2.2
226.22618	1.9
270.24463	1.1
272.23218	1.4
277.21756	100.0
278.22125	7.6
361.15433	1.3
393.12271	0.9
429.21292	1.5
445.23779	5.6
445.33600	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.5
61.98827	2.0
71.01393	1.0
89.02443	0.9
90.97140	1.8
91.99251	0.5
99.00919	0.8
105.01958	1.0
109.02950	0.8
111.00868	0.9
112.45883	0.6
115.99586	0.5
130.08749	100.0
131.09085	2.5
132.98201	3.5
141.98216	1.5
146.40181	0.7
152.01128	1.3
152.03423	0.6
153.01901	0.6
160.67615	0.6
160.97733	0.9
166.99799	0.8
174.99265	7.9
176.03554	6.5
182.02126	0.6
187.98746	1.5
208.95186	0.7
217.00322	20.3
242.36737	0.6
244.05011	5.3
246.06618	3.7
248.09541	0.6
266.08224	1.3
272.45120	0.6
284.09421	2.7
284.13004	1.5
288.07684	91.6
288.95599	1.1
289.08041	4.2
289.11023	0.6
295.60135	0.7
393.83258	0.6
430.25018	0.6
446.06653	20.2
446.14386	2.9
446.19904	0.9
447.06616	1.3
447.12079	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	446.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.6
61.98837	100.0
62.62989	0.3
62.98545	0.5
71.01396	2.2
73.02950	0.9
77.38747	0.4
85.02960	1.1
89.02442	1.9
95.01436	0.6
99.00915	0.7
99.05640	0.5
101.02465	1.4
108.02186	8.3
109.02965	4.6
113.02460	1.0
113.03615	1.1
119.03542	0.5
123.00934	1.1
130.08745	5.5
131.03476	0.4
135.00894	0.6
138.02875	0.4
149.04616	0.5
152.01169	15.5
152.02377	0.8
153.01930	2.7
161.04614	0.5
163.04041	0.6
164.07283	0.7
166.99884	3.1
176.03606	1.5
176.07132	0.7
177.02185	0.4
179.03606	0.4
179.05666	0.7
182.02240	1.9
189.05710	0.8
198.86024	0.4
223.04393	0.6
227.10402	0.7
284.09430	0.9
284.13086	1.5
307.62421	0.4
327.16907	1.1
343.08118	0.6
382.62747	0.4
447.11478	21.5
447.21307	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	31.9
59.01381	12.2
71.01388	2.5
83.01395	0.5
83.05060	0.4
85.02978	0.5
87.26767	0.4
89.02441	2.7
91.73771	0.4
98.22636	1.5
99.04522	15.1
100.04825	0.5
101.02447	6.7
113.02476	0.7
119.03500	0.9
121.94575	0.3
122.03745	0.8
125.02458	8.8
137.69507	0.4
140.07185	100.0
141.07529	3.9
143.03510	0.5
146.53235	0.4
148.25694	0.4
152.03561	3.4
161.04628	1.0
180.10277	1.0
223.13481	0.4
235.10562	0.5
255.03067	0.6
283.02625	1.5
284.11530	0.8
302.12390	2.8
344.13458	0.5
387.20187	0.7
408.67096	0.4
446.16956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1824
Annotation	Glycoerysodin
Peak:m/z	Relative Intensity
57.03450	1.3
59.01379	2.2
59.83909	0.5
61.32170	0.5
61.98838	53.8
63.72438	0.6
69.39497	2.5
71.01396	1.0
74.55425	0.6
85.02972	0.7
88.26579	0.5
89.02468	0.8
93.03467	1.9
94.03786	0.6
98.22636	1.2
101.02433	0.8
106.04248	1.3
107.05038	13.1
108.02175	1.5
109.02963	4.9
111.00884	1.4
123.04524	0.7
125.02401	0.6
131.62878	0.5
137.02481	2.7
138.02792	0.6
141.01952	3.4
149.02400	0.5
149.06102	0.6
151.04042	0.7
152.01192	2.8
153.01967	2.1
160.04050	5.4
161.04823	7.7
162.05597	2.6
166.99785	0.5
174.05589	1.5
176.07179	26.9
177.07538	1.6
178.05106	1.0
179.06528	0.5
182.02238	1.1
194.08260	1.8
207.26324	0.5
233.25153	0.5
236.42799	0.5
239.53851	0.5
274.65793	0.6
284.12955	100.0
285.13266	7.3
342.08426	0.8
446.13593	0.9
447.11469	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	446.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63004	1.9
59.01371	4.6
61.98837	100.0
67.80126	1.8
71.42282	2.6
78.95872	2.6
81.38544	2.0
98.23531	2.0
125.02410	2.2
126.98922	2.0
131.15048	1.9
133.01764	3.1
135.00894	3.0
143.46942	2.2
152.99608	2.1
180.03050	7.6
195.05373	5.7
196.59677	2.4
240.02931	2.4
240.56775	2.1
275.53467	2.2
284.02094	4.0
296.92047	1.9
299.04419	5.7
316.04587	3.4
331.07034	23.1
447.13254	2.2
447.33228	2.1
468.26025	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41976	0.5
54.42098	0.5
57.03455	1.3
59.01385	27.5
63.56905	0.5
65.04850	0.5
69.83631	1.5
71.01376	4.4
73.02946	2.9
83.01401	0.8
85.02961	2.1
87.00911	0.7
89.02451	3.7
93.03445	0.9
94.54079	0.5
98.22587	0.7
99.00909	0.8
101.02451	3.1
107.01393	0.7
113.02464	2.0
113.77247	0.5
119.03528	1.4
143.03430	0.8
151.00409	2.4
153.02014	0.6
161.04588	1.9
163.00340	0.5
174.03348	0.6
178.99814	0.7
183.04494	1.3
185.06290	0.5
187.04013	1.0
187.67050	0.6
191.05658	5.3
194.24571	0.5
211.04030	1.7
213.05568	0.6
227.03520	70.0
228.03899	4.4
229.05142	1.4
243.12413	0.5
255.03004	87.2
256.03616	13.6
257.04401	1.7
284.03293	74.4
285.03992	23.6
286.04395	1.0
327.04968	1.6
387.20322	2.0
447.09332	100.0
448.09616	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53506	0.3
59.01382	3.6
61.98834	0.5
62.86274	0.4
63.02406	0.5
69.98279	0.9
69.98648	0.7
88.81699	0.4
89.02435	0.7
90.85091	0.3
93.03461	0.4
93.05983	0.3
93.55330	0.4
94.51305	0.3
98.21909	0.6
101.02479	0.5
107.01400	1.1
112.08070	0.4
118.59082	0.4
125.02459	0.8
135.00909	0.5
151.00374	2.7
153.01959	0.5
160.03812	0.4
163.00455	0.5
171.04744	0.4
174.03232	0.8
175.04089	0.4
178.99899	0.7
183.04530	1.6
185.06102	0.6
187.04063	0.9
196.05356	0.4
199.04086	0.5
201.05611	0.5
211.04044	1.7
213.05531	0.7
215.03575	0.4
227.03514	79.9
228.03864	4.8
229.05060	2.6
239.03484	0.7
243.12442	0.4
255.02998	98.5
256.03629	12.7
257.04547	2.1
263.92365	0.4
284.03284	78.6
285.04010	29.1
285.07288	0.5
286.04385	2.0
291.85016	0.5
327.05206	1.5
329.86609	0.4
441.78555	0.4
447.09338	100.0
448.09714	9.3
448.94812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23279	0.9
57.03449	2.5
59.01394	5.7
69.71156	4.1
71.01383	6.4
72.99306	1.3
73.02978	2.8
75.00867	3.3
85.02961	5.8
89.02457	2.3
99.00861	2.8
101.02437	3.4
105.01941	54.4
108.02183	52.1
109.02981	15.5
111.00875	3.2
113.02488	1.8
128.29340	1.0
129.02010	1.1
141.01939	5.9
141.02855	1.0
152.01158	77.5
153.01938	6.6
160.04033	1.7
161.04588	1.9
163.04013	2.9
182.02213	1.3
286.32083	1.0
308.69293	1.1
315.07166	1.2
332.95575	1.9
358.93732	1.5
447.11441	100.0
448.11853	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01387	4.4
61.71041	0.6
61.98821	0.6
62.94897	0.5
65.29462	0.5
68.15063	0.5
69.57874	2.5
69.75531	0.6
71.01389	7.0
73.02946	2.6
73.30216	0.5
73.45452	0.5
79.01915	0.6
83.01406	0.9
85.02947	2.5
89.02461	1.9
95.01393	1.1
99.00917	2.7
101.02467	3.5
107.04998	0.6
108.02185	56.8
109.02974	19.7
110.03308	0.8
113.02438	1.8
123.04521	1.1
134.03755	0.8
135.04532	0.9
151.04033	1.6
152.01167	100.0
153.01765	4.9
161.04567	1.6
163.04051	2.7
166.99785	0.6
177.01837	0.9
179.03731	0.7
207.02933	0.6
241.73257	0.5
257.77072	0.7
271.08240	0.8
285.13281	0.9
315.07141	1.1
447.11462	83.5
448.11853	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	447.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	42.3
61.66605	3.5
61.98827	13.8
62.06831	3.3
65.99844	5.9
66.18833	3.4
71.01390	29.3
71.32069	5.0
73.02950	33.5
78.28727	3.1
78.95919	4.2
80.92505	3.1
85.02954	9.5
89.02457	20.8
95.01387	4.0
96.95997	5.1
99.00877	5.9
101.02419	15.9
103.04022	100.0
105.02000	5.3
108.02171	10.7
108.93732	3.9
109.02972	11.5
111.00851	6.3
113.02457	9.5
119.03505	6.0
123.00908	8.8
123.04550	4.2
125.02428	3.9
127.80271	3.9
131.03574	4.1
135.04536	7.3
136.33784	3.4
141.01907	3.2
144.04549	62.9
145.05161	3.2
149.04546	8.7
152.01149	27.3
153.01964	17.6
160.04056	84.7
161.04593	7.0
162.05605	12.1
163.06128	11.8
165.99699	6.7
166.99872	19.6
177.04022	4.3
178.05133	6.7
178.54222	3.4
179.05600	6.2
182.02229	20.5
210.99164	3.3
235.04816	3.6
242.01357	3.8
249.10164	3.9
257.94867	3.6
259.01398	4.6
260.02423	11.7
266.97739	4.2
268.09784	14.1
286.00327	24.3
286.10840	9.4
293.08820	6.4
321.82358	3.4
328.01645	3.4
343.07895	8.1
367.12433	7.5
388.97546	3.9
404.06442	11.1
411.15051	7.9
430.15451	5.6
447.11682	76.3
448.11688	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	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70058	0.3
59.01374	1.0
61.98827	1.1
62.33550	0.3
62.96414	1.2
70.36983	0.8
78.95911	45.6
83.95223	0.3
96.96974	2.3
149.00114	20.8
152.99614	0.5
158.92564	1.7
179.01163	2.5
181.81618	0.3
205.15984	1.4
240.96693	0.4
267.11621	0.8
279.59842	0.4
347.08096	0.4
396.44119	0.3
409.06958	0.3
417.12512	0.8
431.10477	2.9
447.13461	100.0
448.13794	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	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.5
61.98838	0.6
67.47489	0.4
69.09389	0.4
72.99314	2.3
75.00880	4.7
105.01941	100.0
106.02273	1.8
108.02187	1.3
152.01173	1.8
195.89265	0.5
225.02679	0.4
292.52213	0.5
435.55640	0.5
447.11411	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03449	1.8
59.01385	100.0
60.01715	1.3
60.62415	0.5
61.98830	1.8
69.07723	4.3
71.01388	26.0
72.01720	0.7
73.02960	4.6
73.99439	0.6
75.00903	0.5
83.01408	2.1
85.02953	6.9
87.00904	1.5
89.02454	24.3
90.02819	0.7
94.38699	0.6
95.01447	1.3
97.06644	0.7
98.22632	1.5
99.00900	2.0
99.04571	1.7
101.02457	16.9
102.02813	1.3
111.28809	0.7
113.02464	9.3
119.03508	8.6
120.03858	0.6
125.02504	1.8
131.03561	1.7
140.07182	3.8
141.07527	1.8
143.03549	1.2
149.04607	1.8
152.03581	1.8
153.03937	0.9
159.03166	0.8
159.04524	1.4
161.04549	4.4
172.05305	1.1
173.06128	1.7
179.05675	2.2
187.04044	1.4
187.07668	11.7
201.05678	1.8
202.06366	16.4
202.08170	0.9
203.06873	1.0
207.13913	1.2
213.09312	0.7
216.08035	1.8
225.11392	0.8
225.15059	1.6
231.10258	17.0
231.12349	1.1
232.10625	1.0
234.42804	0.6
240.61272	0.7
257.31967	0.7
284.03192	0.9
285.04114	1.0
293.08813	1.1
315.14548	1.2
327.64590	0.7
387.20316	14.5
411.16623	66.1
412.16925	7.3
447.08994	1.4
447.18628	2.8
447.22949	2.4
460.78015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
57.03450	16.9
57.90428	0.9
59.01382	100.0
60.01717	0.9
69.18922	4.6
70.10796	0.9
71.01385	32.9
71.05023	24.9
73.02948	6.3
78.13278	1.0
83.01363	3.2
83.05016	1.3
85.02966	8.0
87.00832	1.3
89.02450	29.0
95.01363	3.4
97.02937	1.0
97.06555	2.8
99.00874	1.5
99.04521	11.9
101.02454	19.7
107.92416	0.8
109.06553	1.5
111.08121	3.7
113.02448	11.6
115.80167	1.0
118.31434	1.0
119.02780	0.9
119.03510	11.0
121.06559	2.6
125.02443	4.5
143.03438	2.1
149.04515	1.2
149.05974	2.2
150.15251	0.9
161.04485	4.1
161.09584	0.9
163.11238	1.8
166.08954	0.9
179.05542	3.3
179.14429	26.9
191.05605	0.9
205.12212	1.4
218.13683	0.8
223.13400	40.6
224.13712	2.7
267.12396	55.7
268.12573	2.9
285.13358	2.1
313.38040	0.9
387.19977	2.1
447.18393	34.1
448.18652	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	447.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11541	1.2
55.01880	1.5
57.03451	17.7
59.01386	100.0
71.01392	36.0
71.05030	24.8
73.02943	8.6
73.05292	1.7
83.01391	2.7
83.05000	1.3
85.02959	8.1
87.00906	1.8
89.02451	29.2
95.01418	2.1
97.06618	1.7
99.04520	10.0
100.48181	1.3
101.02450	22.1
106.12043	1.3
111.08167	4.5
113.02467	13.8
119.03522	12.8
119.04955	1.6
121.06612	3.7
123.08156	2.7
125.02467	4.1
143.03505	1.9
149.06093	3.2
161.04544	6.3
163.11287	2.1
179.05609	2.7
179.14430	28.2
223.09993	1.8
223.13408	42.2
224.13713	1.9
267.12393	60.3
268.12692	3.8
344.87408	1.5
447.18048	30.3
448.18735	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	447.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78492	25.9
55.66946	26.5
58.95835	27.8
59.01398	54.1
61.98808	44.3
65.89082	27.8
69.69595	100.0
73.40044	27.4
79.11399	27.2
100.21585	28.7
116.92836	48.5
132.96358	27.8
167.86490	33.8
171.32480	30.9
183.13925	47.1
249.18663	52.1
255.23013	32.3
279.23151	46.3
291.19513	35.1
427.25424	29.3
447.36026	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70810	8.3
59.01378	20.8
61.43899	10.2
63.70727	7.4
71.01392	19.1
98.21819	22.9
121.05899	9.0
133.11345	9.0
141.23720	8.9
149.41757	10.7
152.99609	10.0
226.60605	10.1
228.22986	10.2
249.18613	100.0
279.23337	25.6
291.19611	31.9
402.78690	10.5
468.14688	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92805	0.5
54.63820	0.5
55.01873	3.6
57.03457	2.4
59.01383	28.7
59.51855	0.5
60.01720	0.8
64.21453	0.6
65.21880	0.5
69.03474	1.0
69.21007	3.1
71.01389	45.2
72.01695	0.5
72.99311	0.9
73.02953	19.7
75.00864	1.3
83.01389	8.8
85.02957	21.4
86.00101	0.5
87.00888	4.0
89.02451	10.0
95.01402	3.4
97.02966	2.3
99.00893	7.8
101.02452	40.2
102.02818	1.1
111.00846	0.6
113.02460	18.5
115.04029	1.6
119.03513	0.8
125.02451	2.7
129.01913	1.0
131.03506	2.5
132.88069	0.5
143.03471	1.9
149.04572	2.5
153.12869	1.1
159.03085	3.7
161.04585	22.0
162.04861	0.7
166.05522	0.5
191.05650	2.3
211.13368	1.1
227.03749	0.5
233.06740	1.0
244.19142	0.5
271.13385	2.2
284.03326	0.7
315.18158	41.9
316.18521	2.7
358.61575	0.5
369.13641	1.0
447.17035	4.5
447.22327	100.0
448.16907	0.7
448.22705	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13703	0.2
57.03452	0.6
58.00567	0.3
59.01386	100.0
60.01741	0.5
61.98842	0.8
69.16801	1.6
71.01394	4.3
73.02967	0.9
78.67663	0.3
83.01410	0.5
85.02944	1.4
87.00903	0.4
87.29809	0.3
89.02456	3.1
91.35709	0.3
95.01420	0.3
95.12161	0.2
96.02897	0.3
99.00917	0.3
99.04572	0.3
101.02449	3.6
112.38927	0.3
113.02463	2.6
119.03506	1.5
127.70220	0.3
137.09741	0.3
143.03584	0.4
159.02933	0.4
161.04584	3.2
179.05713	0.6
210.98468	0.3
223.13509	0.3
267.12363	0.3
387.20258	5.2
388.20825	0.4
401.40396	0.3
447.17972	0.5
447.22739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
53.67082	0.5
55.01884	5.2
56.52646	0.5
57.03453	4.3
58.00591	0.9
59.01383	47.3
61.98841	0.6
69.03444	1.3
69.25325	3.2
71.01386	69.7
72.01733	0.8
72.99317	1.6
73.02954	33.0
75.00883	1.1
81.03477	1.0
83.01392	9.6
84.19804	0.5
85.02954	30.3
86.00070	0.8
86.03273	0.7
87.00887	2.7
89.01879	0.6
89.02025	0.4
89.02451	22.6
95.01397	5.9
97.02969	3.3
99.00889	9.7
101.02449	45.9
111.00902	0.9
113.02459	27.3
115.04005	1.4
119.03518	4.3
125.02461	4.4
129.01952	1.1
131.03510	3.8
143.03523	3.3
149.04546	3.6
159.02995	5.1
161.04570	37.6
162.04958	1.2
163.90837	0.6
191.05600	0.9
194.49275	0.5
223.30273	0.6
233.06644	1.7
315.18140	49.2
316.18549	3.0
344.93738	0.5
360.69855	0.6
397.22925	0.6
447.22357	100.0
448.22675	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56303	1.1
55.01882	8.6
57.03452	5.9
59.01384	62.7
69.03461	2.2
70.92018	1.8
71.01388	100.0
72.01725	1.3
73.02951	44.3
75.00878	2.8
81.03467	1.2
83.01394	12.5
83.82687	0.9
85.02959	46.9
87.00883	4.1
89.02452	30.8
89.07016	0.9
95.01395	5.9
97.02956	5.3
99.00891	18.6
100.01691	1.1
101.02449	62.3
111.00884	1.3
113.02458	36.1
114.02785	1.4
115.04003	3.2
119.03496	4.4
125.02459	5.4
129.01953	1.3
131.03516	5.7
143.03477	5.6
149.04572	4.9
159.03044	7.2
161.04575	60.8
162.04849	1.6
191.05624	2.4
211.13364	1.3
233.06564	5.5
237.15280	1.1
261.57977	1.0
315.18140	45.5
316.18451	3.3
444.71176	1.1
447.22369	96.1
448.22525	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01868	1.6
56.99834	0.4
57.03457	0.9
58.00591	1.2
59.01384	94.2
60.01715	0.8
69.03461	0.7
69.23874	1.5
69.24280	0.8
71.01387	53.7
72.01729	0.8
72.99318	1.0
73.02952	17.5
75.00885	0.5
76.87201	0.3
81.03465	0.5
83.01391	2.1
85.02961	8.9
87.00886	1.9
89.02451	100.0
90.02788	1.4
94.63117	0.4
95.01392	2.1
97.02969	1.8
99.00889	22.1
99.04523	0.4
100.01201	0.6
101.02451	38.1
102.02792	0.6
113.02460	15.9
114.02784	0.6
115.04011	1.2
119.03512	16.5
125.02464	5.0
131.03513	15.5
137.67958	0.3
143.03528	3.2
149.04567	52.0
150.04922	1.2
161.04565	4.2
163.07593	0.3
179.05612	5.9
191.05627	14.7
192.05952	0.9
200.38774	0.3
206.30121	0.4
221.06682	1.5
233.06633	1.3
251.07718	3.1
272.18466	0.4
277.27072	0.4
293.08667	0.5
315.18036	0.7
447.17337	0.7
447.22379	18.4
448.22647	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	448.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03433	0.3
59.01384	9.2
60.01705	0.5
61.98822	0.9
62.72303	0.2
64.01910	0.2
65.99847	2.3
67.01878	0.3
69.49577	0.7
69.49989	0.4
71.01025	0.3
71.01391	4.9
72.01711	0.5
73.02962	1.6
77.94284	0.2
82.12952	0.2
83.01365	0.3
85.02946	1.4
87.00870	0.8
89.02451	6.7
90.02775	0.5
93.03471	1.6
95.01395	1.5
97.02955	0.3
99.00897	1.2
101.02454	3.6
102.02788	0.3
107.01395	1.7
113.02469	1.3
119.03543	1.5
120.03826	0.3
121.01724	0.3
123.00900	0.4
131.03525	1.5
134.02570	0.3
134.03726	0.5
135.04518	1.0
139.05534	0.3
143.03517	0.3
149.01233	1.0
149.04553	2.2
150.04947	0.3
159.04538	1.3
160.01605	0.2
161.04521	0.2
170.06122	0.5
173.04590	1.2
179.03528	0.3
179.05571	0.4
191.05632	3.0
198.05585	0.7
211.04022	0.5
225.04353	2.1
226.05122	3.0
252.03081	0.3
253.03737	0.5
254.04601	100.0
255.04930	6.2
286.07227	48.2
287.07562	3.2
308.09222	0.3
437.84760	0.2
447.22519	0.8
448.12433	4.2
448.22183	1.4
449.13992	0.9
449.27997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1616
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01389	1.7
61.77769	0.2
61.98837	0.4
68.59793	0.3
69.98829	0.5
69.99160	0.5
71.01382	1.0
73.02947	0.7
83.08103	0.2
85.02940	0.4
89.02448	0.5
93.03454	0.4
93.54021	0.2
101.02479	0.4
103.04011	0.8
103.74552	0.2
107.05082	0.3
117.01960	1.0
130.08746	1.0
132.04529	1.3
132.98206	0.9
133.05096	1.4
133.05940	0.2
135.04544	0.7
144.04649	0.2
147.03267	2.3
150.03265	1.2
156.38362	0.2
160.04060	100.0
160.97743	0.2
161.04420	4.7
162.05632	16.9
163.05988	0.6
165.05577	2.2
174.99261	0.8
178.05113	5.6
179.05476	0.5
192.95856	0.3
198.35574	0.2
214.98807	0.3
217.00407	0.4
220.12784	0.2
224.35992	0.2
231.01894	0.3
241.05112	0.3
242.11887	1.4
248.96089	2.4
255.12625	0.2
268.09793	23.9
269.10147	1.8
286.10870	9.0
287.11227	0.7
288.07742	0.5
289.07837	0.3
290.07892	0.3
290.97153	6.3
344.98172	0.5
362.99112	0.7
388.21484	0.4
389.00662	1.9
413.16855	0.6
430.15152	5.2
431.15457	0.9
448.16434	3.3
449.15387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56665	0.4
52.56900	0.6
58.20148	0.4
59.01382	30.7
60.01724	3.1
60.55613	0.4
61.01819	0.7
61.98834	100.0
63.21842	0.4
69.11725	3.0
69.12121	0.7
71.01391	2.2
85.02989	0.8
89.02440	2.8
101.02463	1.7
110.13423	0.5
113.02451	0.7
119.03624	0.4
137.50180	0.4
161.04616	0.7
179.05676	0.6
190.13115	0.5
248.39609	0.4
258.12213	0.5
358.96423	0.4
388.20639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20544	3.7
57.03450	10.5
59.01089	6.2
59.01386	100.0
60.01731	6.6
68.30713	3.8
69.35952	9.7
69.36368	14.4
69.87376	4.2
71.01387	28.5
73.02953	5.1
89.02452	29.3
98.21890	4.7
99.00866	4.9
101.02422	20.8
103.05155	3.5
113.02483	10.0
118.02985	4.4
119.03510	15.4
142.94405	4.6
149.09795	7.2
153.09299	4.4
161.04536	12.8
166.05070	5.9
167.10800	16.7
172.60399	3.8
179.05621	8.1
243.15985	7.7
388.21121	18.7
405.21362	11.8
442.75394	4.1
448.23315	6.8
449.20560	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	448.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82726	14.4
69.93111	51.0
70.62151	15.8
76.49687	14.5
77.49192	13.4
78.95852	17.9
92.89019	16.3
96.96024	17.2
100.38628	14.4
107.22459	15.8
153.02048	15.4
213.58727	15.3
279.23334	19.6
280.23608	100.0
321.41989	14.5
366.49789	15.7
448.25513	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	449.1094
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
55.01892	0.5
57.03460	3.3
59.01387	15.9
61.98838	1.2
63.02398	1.4
65.00324	10.2
71.01384	6.9
73.02948	2.5
83.01389	5.5
85.02973	4.0
87.00893	1.1
87.04531	1.4
89.02456	2.6
93.03473	2.5
95.01402	0.5
99.00900	0.9
99.04497	2.2
101.02454	5.1
107.01401	16.8
108.99353	0.5
109.02968	1.6
111.00870	0.6
111.04494	0.5
113.02447	2.6
114.81461	0.4
119.03485	1.1
123.04503	0.4
125.02448	5.2
127.04023	0.7
132.23666	0.3
133.02959	0.7
134.03769	1.9
135.04541	74.2
136.01648	0.5
136.04851	2.8
137.02414	0.5
151.00385	100.0
152.00703	3.4
160.04015	1.0
161.02464	1.6
161.04601	1.3
164.01166	1.0
165.01836	0.7
169.01427	1.6
173.04591	1.8
177.01924	1.2
178.02715	0.6
183.13921	0.9
184.71376	0.4
185.11841	1.5
187.07701	1.7
191.05624	15.2
192.05971	0.4
193.05103	1.1
205.05667	0.4
231.10316	0.6
245.14032	1.3
257.08105	2.2
269.04584	0.8
275.09296	0.7
285.04358	0.4
287.05646	72.0
288.05984	4.8
297.09860	1.7
305.15945	0.7
333.19122	0.5
389.21661	0.6
413.25580	0.5
436.08252	0.4
449.10846	21.2
449.27997	4.7
450.11063	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	449.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01384	11.7
60.01693	0.3
61.98541	0.5
61.98834	5.1
67.01895	0.4
69.09217	1.5
71.01389	4.2
73.02949	1.4
74.10609	0.3
81.03456	0.5
83.01392	0.5
85.02960	8.7
87.00880	2.6
87.04521	0.6
89.02469	1.1
93.03464	4.1
95.01405	0.6
99.00883	0.4
99.04513	1.1
101.02460	2.3
109.02969	0.7
111.04517	1.2
113.02440	1.1
119.03436	0.5
127.04012	2.5
127.73884	0.3
135.04480	0.4
155.03467	0.3
159.04648	0.3
160.04050	4.2
161.04581	1.3
171.02980	0.6
172.05341	1.5
173.04567	1.7
183.04597	0.5
187.07668	10.8
188.08029	0.4
191.05632	100.0
192.05966	3.3
199.03998	1.2
200.04736	0.7
201.05531	0.4
204.03093	0.4
211.07570	0.4
213.09242	1.1
215.07179	2.0
227.03528	1.4
228.04289	2.2
229.08688	0.8
231.10295	1.1
257.08209	13.0
258.08481	0.8
269.14087	0.4
275.09283	1.0
389.22076	0.5
449.14743	3.6
449.28412	1.9
450.14301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61794	0.2
57.03445	0.7
59.01386	3.0
62.01186	0.2
67.01907	0.4
67.14182	0.2
69.19335	1.2
71.01391	1.3
73.02950	0.6
85.02959	9.2
86.03237	0.3
87.00878	1.9
93.03473	4.2
98.21891	0.4
99.04553	0.6
101.02471	0.5
109.02966	1.0
111.04510	1.1
113.02428	0.3
125.02467	0.3
127.04025	2.5
143.03500	0.3
155.03511	0.4
160.04063	1.8
171.03023	0.5
172.05292	1.7
173.04582	1.7
183.04485	0.5
187.07668	12.4
188.07916	0.5
191.05634	100.0
192.05975	3.5
199.04106	1.2
200.04791	0.8
200.16422	0.2
201.05392	0.2
201.55734	0.2
202.06352	0.2
211.03899	0.2
213.09206	1.3
214.06383	0.3
215.07173	2.2
227.03529	2.0
227.30034	0.2
228.04251	1.8
229.08707	0.5
231.10341	0.6
257.08221	13.7
258.08481	0.6
275.09201	1.1
449.14548	2.7
450.14630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1502
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.10452	0.8
59.01364	1.8
61.98822	0.7
62.96415	28.5
71.41776	0.8
78.95911	67.7
80.97473	35.6
91.13261	0.7
96.96046	1.0
99.16558	0.8
105.04363	0.8
107.81781	0.8
125.87345	2.6
130.68698	0.8
148.99008	1.4
149.00113	16.7
160.84192	3.9
162.30927	0.8
163.81993	0.9
179.01151	1.8
205.16016	7.5
206.16229	1.1
208.95628	0.9
211.14305	0.8
242.98285	5.2
244.93230	1.8
267.27335	0.9
285.12653	2.4
288.44687	0.9
355.16803	18.9
356.17133	2.0
385.17896	20.5
386.18295	2.6
421.47845	0.9
426.55972	0.8
449.15045	100.0
450.15463	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	449.1865
Annotation	Terpentedienyl diphosphate
Peak:m/z	Relative Intensity
55.88255	1.3
59.01382	19.8
61.98825	2.2
69.60345	5.3
71.49769	1.5
78.95924	1.9
93.03468	5.3
97.92213	1.4
103.96833	1.5
105.47975	1.5
109.79988	1.7
113.48004	1.4
146.38715	1.5
152.99622	1.5
158.84676	9.1
165.12878	13.9
170.60484	1.5
174.02328	1.5
174.99181	1.9
224.00089	1.8
236.00136	3.4
247.20712	6.0
249.18565	1.5
252.87691	1.5
261.65704	1.8
263.02408	4.1
273.18689	4.1
291.19644	13.6
320.09470	15.8
321.10156	3.4
352.08328	6.0
367.51276	1.5
389.16479	41.5
390.16934	3.6
449.18634	100.0
450.04398	3.0
450.19147	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08263	0.8
56.07573	0.9
57.03448	3.2
57.25443	0.9
58.25920	0.8
59.01385	100.0
60.01699	1.1
67.53409	1.0
69.25930	4.4
71.01017	1.7
71.01388	20.9
79.82761	0.9
85.02439	0.8
85.02936	4.9
89.02452	18.5
95.01398	1.7
99.04529	7.1
101.02446	7.1
113.02475	6.6
119.03508	5.6
148.57904	1.1
161.04630	1.6
165.12869	4.0
207.13974	8.4
209.11859	27.6
210.12161	1.3
219.47572	0.9
225.15019	11.4
239.17567	0.8
251.12852	5.6
269.13962	88.8
270.14279	5.6
419.35403	1.1
421.54425	1.1
449.20325	65.8
450.20184	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	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
59.01387	100.0
60.01711	1.2
61.98837	2.5
69.20297	4.3
71.01392	31.6
72.01723	0.8
72.99316	1.1
73.02949	10.0
79.70181	0.6
83.01398	2.0
85.02966	6.4
87.00919	1.1
88.14954	0.7
89.02455	52.8
89.30265	0.7
90.02821	0.9
95.01427	1.1
96.19894	0.8
97.02997	1.3
99.00883	10.6
99.04536	1.0
101.02453	22.8
108.00191	0.7
113.02469	8.4
115.63194	0.7
119.03518	7.7
125.02479	2.3
128.90858	0.9
131.03488	7.0
143.03545	1.5
149.04582	23.9
161.04572	8.6
179.05695	2.9
191.05641	6.0
221.06703	1.5
247.07008	0.8
251.07864	1.6
257.52866	0.7
317.16159	1.9
389.21878	13.8
390.22220	1.1
411.18973	1.7
449.20477	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	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03462	0.9
57.55187	0.3
59.01386	100.0
60.01711	1.0
61.98821	0.5
69.03464	0.3
71.01390	12.5
73.02959	3.8
83.01421	1.1
85.02962	3.8
87.00893	0.8
89.02461	10.7
89.03012	0.4
93.03503	0.3
95.01396	0.8
96.39207	0.3
97.02963	0.4
99.00889	2.6
99.04520	0.4
101.02458	9.8
101.03105	0.5
109.48136	0.3
111.00894	0.3
112.29021	0.3
113.02465	5.0
119.03503	2.4
121.53663	0.3
125.02367	0.5
131.03531	1.2
135.25346	0.3
137.02419	0.4
143.03560	0.7
149.04568	2.7
159.03072	1.1
161.04570	5.5
179.05676	1.0
181.06729	0.7
191.05681	1.8
199.07738	0.8
202.43297	0.3
225.05696	0.6
243.06703	1.7
248.56096	0.3
251.08043	0.4
287.05853	0.9
317.16003	0.6
389.21829	17.6
390.22101	2.1
449.10776	0.5
449.20483	1.6
450.27219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
59.01384	100.0
60.01719	7.8
60.75541	0.5
60.88459	0.5
61.01807	7.4
61.98833	10.8
69.84392	1.7
71.01389	12.0
72.01714	0.6
72.41425	0.6
73.02958	1.9
83.01393	1.2
85.02951	3.2
87.00929	0.5
89.02453	11.9
95.01412	1.2
99.00916	0.5
100.70710	0.6
101.02442	8.1
113.02464	5.5
119.03507	4.9
121.05772	0.5
123.08192	0.8
125.02439	1.2
131.03580	0.6
131.24390	0.6
143.03522	0.9
149.04655	0.5
159.02960	1.0
159.06659	0.9
161.04559	7.0
161.05684	0.7
162.05014	0.6
163.04936	0.7
163.11382	0.6
166.12354	0.6
167.07220	0.8
179.05698	1.7
189.12868	0.7
195.52029	0.5
207.14011	1.1
208.14253	0.9
209.14565	1.0
227.16563	0.8
269.04636	0.9
284.12897	0.5
317.16110	0.7
389.21780	13.2
390.22110	1.3
449.24655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.2
57.03458	2.1
58.00596	1.0
59.01385	100.0
60.01727	1.2
61.97440	0.6
61.98839	2.0
62.75661	0.6
64.37205	0.6
71.01389	33.1
72.99325	1.1
73.02952	5.4
83.01409	2.7
85.02955	10.9
86.00094	0.7
87.00895	1.9
87.04543	2.2
89.02453	31.6
91.84972	0.7
93.03515	0.9
94.82123	0.7
95.01430	2.2
99.00883	1.3
99.04535	1.6
101.02458	21.3
101.03117	1.3
101.06095	0.9
113.02468	13.6
119.03511	13.5
125.02415	0.9
143.03528	2.6
149.04601	1.5
154.01514	4.9
155.01851	2.9
159.03030	1.8
159.06660	2.0
161.04576	12.2
175.03981	0.6
179.05606	6.7
187.13484	2.2
227.16574	0.9
242.02791	0.8
249.09822	0.8
259.06232	0.7
287.14169	1.0
287.18604	3.3
349.18753	4.6
371.21030	1.8
386.40250	0.7
389.21841	14.6
390.22348	1.6
449.24957	11.9
450.24655	1.9
455.32452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27609	3.2
59.01368	4.9
62.85040	2.8
63.39224	3.1
69.17226	14.7
69.74966	3.4
69.91486	3.0
71.07867	3.0
72.99303	8.9
78.95963	4.0
83.05033	5.5
96.96030	4.3
97.06580	5.7
98.22616	8.2
102.04919	3.2
107.05074	6.9
125.06088	51.1
125.09744	7.0
125.54565	3.2
125.89490	3.2
127.54203	3.3
132.33661	3.6
135.08173	4.1
143.07156	92.6
144.07585	3.5
153.09203	7.9
164.56528	3.3
165.12849	4.1
197.11844	12.1
207.10303	6.1
209.11835	86.2
209.13719	5.5
210.12277	3.7
221.49384	3.4
225.11275	5.5
245.15399	3.6
287.16571	5.1
305.17627	100.0
306.17859	5.7
323.18643	43.6
327.76428	3.4
389.16281	5.4
449.25522	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	450.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07580	1.2
59.01380	10.1
60.10907	1.4
61.98834	100.0
62.66476	1.1
66.30996	1.2
69.75851	4.4
71.01409	7.0
73.02952	3.8
85.02963	2.0
87.00872	2.7
89.02458	9.5
97.02959	1.5
99.00900	2.8
101.02428	3.3
113.02485	3.1
116.92861	1.7
131.03537	1.8
135.06664	2.8
145.05086	1.7
149.04546	4.8
161.04607	2.7
163.06079	2.9
169.02739	2.4
171.04288	2.6
183.00703	9.2
199.03853	3.3
216.68390	1.1
233.06798	2.7
239.43739	1.5
241.04845	3.0
265.01938	1.2
271.06277	1.5
294.09561	7.8
309.08359	2.1
345.05917	6.4
362.06174	3.0
367.12469	2.4
376.21381	3.9
408.24149	3.2
450.09872	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
58.26547	1.3
59.01384	70.7
59.66644	1.3
60.01720	8.9
61.01807	6.6
61.98837	100.0
71.01389	16.3
72.01749	1.7
73.02954	4.1
85.02953	4.5
87.00892	1.9
89.02452	14.5
90.02789	2.1
99.00858	2.5
101.02456	10.5
102.02785	1.8
113.02470	5.3
119.03532	3.8
120.95701	1.3
121.02966	9.7
125.02509	1.6
145.99258	1.5
161.04575	5.3
162.04942	1.6
163.03986	2.3
179.05559	2.2
180.06047	1.3
185.08238	1.4
197.09834	1.5
228.94778	1.3
253.07256	1.9
389.21317	2.0
390.22125	3.9
450.24539	3.9
451.21912	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	450.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79913	47.1
57.87354	60.6
59.01367	62.3
66.99637	51.1
71.39838	56.0
75.42484	60.6
76.89332	55.3
77.11740	57.6
87.00874	100.0
91.27163	78.2
97.04433	58.0
102.68973	53.0
108.22643	58.9
108.80363	59.4
114.74068	63.7
140.76968	61.0
190.95561	54.6
201.40578	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03444	2.1
58.00584	1.3
59.01385	60.5
60.01716	0.7
61.98819	1.2
69.03447	1.4
71.01389	38.7
72.01711	0.8
72.99324	1.5
73.02953	14.4
81.03462	0.9
83.01382	3.1
85.02956	9.0
87.00886	2.0
87.04525	0.8
89.02452	46.2
90.02796	1.0
95.01407	2.0
95.08634	0.7
97.02951	2.1
99.00266	1.4
99.00883	19.2
99.04509	1.2
101.02454	26.1
113.01718	0.9
113.02463	10.2
115.04018	1.5
119.03508	8.1
125.02444	2.8
131.03508	4.9
132.25688	0.6
139.07690	1.5
143.03540	1.1
147.30598	0.6
149.04564	8.5
157.08714	2.2
157.19893	0.6
160.04074	12.1
161.04570	3.6
167.10799	1.7
179.05571	2.2
191.05687	6.5
194.36734	0.6
229.09677	1.0
233.06679	1.2
271.11105	0.8
293.08804	1.2
319.14017	31.6
319.17810	1.5
320.14221	1.6
323.09897	0.7
405.21182	1.7
406.21265	0.8
424.12357	0.8
451.18137	100.0
452.11893	3.6
452.18448	9.3
452.23117	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19192	7.4
59.01377	20.4
59.21843	5.7
69.07460	47.6
71.01376	9.8
79.21972	6.8
85.02969	9.2
97.02963	6.5
98.22714	13.4
101.02479	14.3
107.05042	10.9
111.00899	15.1
113.02487	10.5
113.42381	6.0
125.09675	9.3
135.08179	9.3
141.06683	11.4
153.09290	10.6
161.04568	8.3
168.10132	6.6
176.03777	8.1
191.10956	9.3
197.11951	10.5
207.10294	25.7
209.11852	100.0
210.12131	10.2
225.11275	14.4
227.12729	10.2
251.60568	7.1
277.18237	10.2
287.16644	11.5
295.19223	11.8
299.14828	9.0
305.17648	54.3
310.14340	8.6
319.21161	8.5
328.15323	81.6
398.23727	6.6
451.25565	7.7
462.65149	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	451.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	77.1
60.11038	13.6
66.48088	14.0
68.46712	13.1
69.07790	100.0
71.01374	83.8
71.63730	11.5
73.02933	41.8
80.06086	14.3
83.01339	20.8
85.02969	49.2
89.02432	15.8
89.11272	14.2
96.96010	17.5
99.00907	23.9
101.02441	73.0
113.02454	34.2
123.19642	12.8
127.07673	20.2
139.07664	35.0
141.09232	17.6
161.04530	31.6
169.08733	29.8
171.10226	21.1
171.86470	14.8
176.03616	18.8
206.37885	15.8
319.21210	76.9
413.22141	35.6
427.12115	14.0
449.36490	13.6
451.25351	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.32135	0.9
57.03454	87.7
58.03799	0.9
59.01384	100.0
60.01717	1.4
61.98842	4.6
65.85011	0.9
71.01387	25.9
73.02950	8.6
75.00833	0.9
78.12322	1.0
81.03448	2.2
83.01377	5.2
85.02959	14.6
87.00907	2.1
89.02462	10.5
93.03469	1.3
95.01424	1.1
97.02967	0.9
99.00888	4.4
99.04533	71.4
100.04863	1.6
100.49390	1.0
101.02459	37.7
102.02795	1.8
104.71630	0.9
111.00890	3.2
112.79761	1.1
113.02439	9.3
119.03510	2.0
121.02965	11.0
125.02466	23.0
131.03494	1.1
132.65120	0.9
143.03500	3.8
149.04591	1.5
159.02989	2.4
161.02446	1.1
161.04558	9.1
163.04015	2.2
191.05678	1.7
193.05037	1.7
196.50586	1.0
253.07120	1.1
287.14603	1.1
307.17648	23.1
308.17804	1.5
319.17551	4.7
349.18625	4.3
372.72546	1.0
392.65033	0.9
405.26401	1.1
451.20728	10.8
451.26089	3.1
452.21826	2.0
470.56448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84529	23.5
56.08625	25.7
59.01377	100.0
62.55914	24.2
65.62587	31.2
71.01370	31.0
81.03544	25.0
101.02440	37.0
108.47759	29.1
122.98282	25.1
141.06726	54.9
206.71388	28.7
209.11934	36.8
230.99661	31.7
305.17413	34.6
328.15320	35.2
413.22040	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55507	0.7
58.68195	0.6
59.01365	0.9
61.98833	6.1
69.31233	1.6
69.31618	1.0
71.01385	0.8
72.99307	2.5
78.95914	1.0
79.28255	0.6
83.05025	1.7
86.84052	0.7
95.05044	1.0
97.06611	4.1
98.21889	1.3
99.08162	0.9
105.55445	0.7
112.97479	0.6
125.06091	16.0
125.09714	1.5
125.64584	0.7
125.87287	1.4
126.88101	2.6
127.07670	4.2
135.21283	0.7
139.07668	0.7
141.05763	0.7
143.07153	31.7
144.07465	0.8
152.99562	1.6
153.09230	2.6
158.84717	3.1
160.84227	100.0
162.38541	0.7
163.11282	1.8
165.12852	1.1
171.10277	3.0
178.10112	0.7
185.11853	5.5
197.11787	5.1
209.11850	22.4
210.12154	1.0
238.12083	2.4
245.19130	1.1
256.13284	0.8
269.07101	0.6
279.19733	0.7
281.21130	0.7
289.18057	3.4
307.19162	26.6
308.19403	1.8
325.20224	32.8
326.20532	2.7
383.39484	0.7
417.06778	1.6
451.04776	1.3
451.18954	2.2
451.26917	6.8
452.03836	43.0
452.16373	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88589	0.1
58.02983	0.3
59.01382	1.3
62.58574	0.1
71.01396	0.9
72.04558	0.1
73.02944	0.3
77.48098	0.1
80.05061	0.2
81.03464	8.1
82.03793	0.2
82.06626	0.7
83.05034	24.1
84.05366	0.6
85.02962	0.3
89.02446	0.7
90.91514	0.1
99.00900	0.3
100.07677	0.2
101.02447	0.9
103.01563	0.2
107.06158	0.7
108.04575	0.9
113.02487	0.3
125.07224	2.7
125.08105	0.2
126.05605	0.7
135.15526	0.1
143.08289	1.3
152.03809	0.1
161.04575	0.4
183.15007	0.2
189.74625	0.1
207.15062	2.8
208.13420	0.2
208.15398	0.1
224.17702	4.3
225.16095	11.9
226.16405	0.8
242.18761	1.6
250.15633	0.3
268.16714	0.2
272.56232	0.1
290.22595	0.2
306.21927	0.2
307.24158	0.2
307.58505	0.2
309.21918	0.6
311.80304	0.2
319.17560	0.8
324.26550	1.5
333.22977	4.2
334.23080	0.2
339.27643	0.3
341.29141	0.2
351.24057	1.2
367.27118	1.3
385.28174	0.2
433.31836	6.1
434.32571	0.7
451.32910	100.0
452.33243	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	452.097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01390	5.8
61.98837	100.0
63.86013	0.4
64.43587	0.4
69.18245	0.5
69.18651	1.7
71.01384	2.6
73.02977	0.8
83.01410	0.6
83.05048	0.4
85.02946	1.8
87.00899	0.7
89.02467	1.6
93.03512	0.4
96.63040	0.3
96.96059	0.4
99.00902	0.4
99.04533	1.1
101.02466	2.0
111.00914	1.3
113.02493	1.0
125.02514	0.5
127.43951	0.4
157.06641	0.8
158.07027	0.4
161.04620	0.6
176.03604	0.6
183.05826	5.8
191.05627	12.4
191.07323	0.7
192.05992	3.9
193.06189	0.5
312.50525	0.4
452.19028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01386	100.0
60.01735	1.3
61.98838	25.9
66.03394	0.8
69.03463	0.9
71.01385	7.8
73.02953	3.6
76.62079	0.9
83.01385	1.3
85.02978	4.1
87.00894	1.9
89.02457	8.2
96.96002	0.9
99.00880	1.7
100.93333	0.9
101.02450	5.0
111.00913	1.8
113.02460	2.6
116.92874	4.3
117.92928	1.9
119.03464	1.3
126.71313	0.8
131.03572	1.0
135.04506	2.4
137.02484	0.8
143.03528	0.9
149.04573	3.4
153.15225	0.8
157.96056	0.8
160.04060	5.1
161.04573	2.5
177.01822	1.0
181.03851	0.8
181.08626	0.9
191.05643	1.7
192.78354	0.8
201.03481	0.9
206.94978	0.8
220.28889	0.8
243.04515	0.9
277.12915	1.3
291.14703	1.3
321.15536	1.8
347.05768	1.8
374.23416	4.6
392.24506	6.8
409.17181	1.0
420.20364	1.3
434.22073	3.4
452.05209	1.9
452.10889	2.5
452.25027	1.8
453.10074	1.2
453.19849	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	452.2788
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
69.61649	1.1
78.95913	20.6
79.26984	0.3
101.27747	0.3
122.00146	1.0
133.76100	0.3
134.98511	0.3
140.01204	5.1
149.66455	0.2
152.99622	1.9
155.73245	0.3
196.03821	8.9
214.04874	1.5
255.23312	100.0
256.23657	7.0
433.11826	0.3
452.27844	22.3
453.27753	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	453.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03454	88.3
58.03787	1.4
59.01385	47.3
61.98830	6.5
71.01393	16.6
71.42713	2.0
73.02955	29.4
73.09005	1.4
78.17416	1.1
79.05534	1.5
81.03468	4.1
83.01402	4.9
83.05051	1.7
85.02973	5.5
86.75361	1.3
87.00895	2.7
89.02454	5.6
95.01405	1.5
97.02988	1.4
99.00893	2.5
99.04532	56.8
100.04855	1.7
101.02455	32.9
102.98634	4.0
105.80683	1.3
107.21143	1.3
111.00914	3.1
113.02477	8.4
113.06096	2.8
115.05556	1.9
119.03481	1.3
123.04530	11.6
125.02470	30.3
131.05031	3.7
133.06696	3.2
134.03743	1.4
141.05569	2.1
141.74165	1.3
143.03493	3.2
147.04538	100.0
148.04910	3.9
149.04529	1.3
152.99408	1.2
159.03003	2.0
159.31345	1.2
160.01678	1.6
161.04582	9.4
161.06107	13.0
175.04054	2.7
189.05637	5.7
195.05260	1.2
195.53143	1.2
197.18613	1.2
203.05692	3.0
231.13840	1.4
283.04999	3.8
305.08728	6.4
321.19293	1.9
453.17822	3.4
453.23215	3.4
454.18967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	16.3
59.01384	42.2
61.07820	2.4
61.64157	2.4
61.98808	3.3
65.64486	2.4
71.01390	41.5
73.02960	21.5
81.57602	2.9
83.01389	6.8
84.33038	2.4
85.02958	16.1
89.02440	8.9
91.01923	3.9
95.01391	5.9
98.22706	5.0
99.00894	4.7
99.04521	15.4
101.02455	35.2
108.02187	32.4
109.02970	31.3
113.02448	17.2
114.05621	7.3
118.03026	5.8
143.03436	3.8
152.01207	19.2
153.01967	22.8
161.04575	15.3
162.02043	3.9
179.03397	3.6
261.13446	27.3
263.78107	2.8
270.14127	3.4
290.09766	5.0
393.17682	100.0
394.18079	8.1
424.92929	3.0
435.11237	9.8
453.12610	4.1
453.18997	4.8
453.23785	4.7
454.13791	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	453.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71070	5.6
59.01387	12.2
71.40739	7.6
101.02477	6.2
110.41015	6.8
111.00883	23.0
115.07596	8.0
120.79076	5.6
132.87605	6.8
155.10712	10.7
163.11313	9.8
166.01631	6.9
171.10312	13.4
181.03851	11.5
181.12283	6.8
187.87433	6.9
196.06169	7.3
196.96027	6.7
207.10294	10.7
209.11848	100.0
210.07970	32.3
225.11334	14.6
255.11400	42.6
307.19189	86.3
325.20175	14.3
374.08118	6.7
401.17670	6.5
421.14249	44.0
453.07120	7.9
466.77536	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	453.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52031	0.6
55.01883	5.4
56.80071	0.6
57.03452	5.0
59.01384	46.6
60.01730	0.8
61.98824	2.0
69.03474	1.7
71.01387	58.8
71.23360	0.5
72.99312	1.3
73.02952	38.1
74.69657	0.5
75.00889	1.4
77.98573	0.6
81.03461	0.8
83.01398	12.7
84.02177	0.9
85.02959	29.7
86.00106	2.5
86.03294	0.8
87.00893	4.2
89.02451	19.1
95.01392	4.2
97.02962	2.7
99.00897	12.7
99.04523	1.3
101.02453	59.6
102.02784	0.8
109.02968	5.4
111.00891	4.6
113.02464	21.4
113.03259	1.1
114.02811	0.7
115.04059	2.3
119.03519	1.9
125.02438	4.7
129.01924	2.0
131.03517	4.6
135.00917	0.6
141.01974	1.2
143.03531	3.9
149.04565	2.8
153.01990	3.4
157.12379	0.8
159.03015	6.2
159.13919	0.9
161.04572	20.1
162.04903	0.7
179.05676	0.9
191.05617	1.2
233.06718	3.2
293.08731	2.2
307.17578	0.8
321.19205	85.0
322.12897	0.9
322.19464	5.9
453.23450	100.0
453.33667	2.7
454.17630	1.6
454.23584	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	453.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52031	0.6
55.01883	5.4
56.80071	0.6
57.03452	5.0
59.01384	46.6
60.01730	0.8
61.98824	2.0
69.03474	1.7
71.01387	58.8
71.23360	0.5
72.99312	1.3
73.02952	38.1
74.69657	0.5
75.00889	1.4
77.98573	0.6
81.03461	0.8
83.01398	12.7
84.02177	0.9
85.02959	29.7
86.00106	2.5
86.03294	0.8
87.00893	4.2
89.02451	19.1
95.01392	4.2
97.02962	2.7
99.00897	12.7
99.04523	1.3
101.02453	59.6
102.02784	0.8
109.02968	5.4
111.00891	4.6
113.02464	21.4
113.03259	1.1
114.02811	0.7
115.04059	2.3
119.03519	1.9
125.02438	4.7
129.01924	2.0
131.03517	4.6
135.00917	0.6
141.01974	1.2
143.03531	3.9
149.04565	2.8
153.01990	3.4
157.12379	0.8
159.03015	6.2
159.13919	0.9
161.04572	20.1
162.04903	0.7
179.05676	0.9
191.05617	1.2
233.06718	3.2
293.08731	2.2
307.17578	0.8
321.19205	85.0
322.12897	0.9
322.19464	5.9
453.23450	100.0
453.33667	2.7
454.17630	1.6
454.23584	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	453.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
58.02982	11.3
59.01369	1.6
62.20675	0.5
66.03469	1.0
72.71696	0.4
82.06631	2.0
83.05085	0.5
84.08175	0.8
86.99385	0.5
87.05637	4.7
87.47544	0.5
96.04565	0.8
97.04085	0.9
98.06117	2.1
98.22601	1.4
98.76272	0.6
99.04537	0.9
101.02440	0.6
111.05632	1.0
113.07198	2.4
114.05627	5.0
114.09284	1.5
117.85174	0.5
122.09795	2.1
125.02470	1.1
129.06706	3.2
130.08749	22.2
131.78806	0.5
138.09285	0.8
140.07182	2.5
147.04524	2.3
155.11911	5.1
156.06615	0.8
157.13466	2.5
166.08751	9.5
166.12369	1.2
181.13498	4.5
182.13005	1.1
183.11397	2.0
183.15034	23.6
200.14104	1.4
209.12979	4.5
224.14052	1.4
225.12582	0.8
227.14021	64.8
228.14378	3.0
254.18864	0.7
270.21826	1.4
296.23450	0.9
367.27145	1.9
453.27203	100.0
454.27557	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	454.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
58.52381	0.4
59.01384	4.9
60.01740	0.5
61.98837	100.0
65.00329	0.5
69.55267	1.1
71.01384	3.4
73.02956	1.0
73.44829	0.4
83.01418	0.8
85.02969	1.1
87.00903	0.5
87.04520	0.6
89.02451	2.0
95.98781	0.3
99.00906	0.7
99.04541	1.6
101.02449	2.7
106.45915	0.4
107.01439	0.8
111.00890	0.4
113.02485	1.1
114.05631	1.0
116.92870	0.6
119.05080	1.0
121.02964	2.5
125.02458	0.4
127.76642	0.4
135.04582	0.6
143.05061	0.6
145.02962	0.9
148.04150	0.8
149.78166	0.4
151.00375	1.8
152.45020	0.4
153.01923	0.4
161.04643	0.9
161.06104	0.4
162.93227	0.4
163.04094	0.8
185.06151	1.0
204.85732	0.4
229.05070	12.6
230.05603	1.0
248.05618	0.8
258.16040	0.3
310.09344	0.8
322.19821	0.5
334.93546	0.4
391.10394	4.2
392.10507	0.4
394.18292	0.7
395.19467	0.5
454.13647	1.0
454.23618	1.1
455.19583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94788	0.6
55.24191	0.6
59.01387	6.1
61.98827	2.0
70.02985	11.2
70.56911	1.5
71.01397	2.4
75.00887	4.3
78.95934	3.4
83.87151	0.8
85.02966	1.1
89.02454	2.0
91.91763	0.7
96.00923	15.0
96.96994	4.9
99.04506	0.9
101.02463	2.5
101.06008	0.7
108.02171	1.9
109.02962	0.8
110.02494	12.8
111.00947	1.0
112.04059	71.3
113.02463	0.9
113.04458	1.1
119.05038	1.4
123.04604	2.1
136.04044	3.0
138.01993	5.8
152.01143	1.2
153.01929	1.9
156.03047	61.1
157.03366	2.4
163.04033	2.7
206.08189	1.7
230.08209	1.3
232.06152	7.0
246.07727	11.3
248.09251	1.7
272.09354	0.9
274.07245	10.5
292.08307	100.0
293.08575	8.7
300.31668	0.7
454.13583	43.8
455.14191	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	454.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03451	0.9
57.45982	0.4
59.01382	8.8
60.01700	0.5
61.32393	0.3
61.98829	3.4
65.03970	7.4
67.01881	3.0
67.05730	0.3
69.03456	0.7
71.01390	8.3
71.41951	0.4
72.01740	0.8
73.02950	5.1
74.03292	0.8
75.00890	0.6
83.01395	1.7
85.02957	4.4
86.03314	0.6
87.00888	0.6
89.02461	2.2
90.02767	0.5
91.01924	0.6
93.03500	0.6
95.01366	0.5
97.02969	0.9
99.00886	1.5
101.02444	8.1
102.02785	1.4
109.02960	100.0
110.03292	3.3
111.00897	0.8
113.02442	2.6
114.02796	0.7
114.05619	14.6
119.05039	6.3
125.02415	0.6
129.05594	0.7
131.03493	0.4
133.02991	0.5
135.00883	4.9
145.02975	0.7
147.06744	0.6
149.04535	0.4
153.01949	69.1
154.02290	2.5
156.06673	11.0
157.06781	0.4
160.01691	0.5
161.04561	2.2
163.04021	7.4
175.03973	0.5
179.05574	0.5
187.07610	0.5
259.51468	0.4
263.14905	0.6
321.19193	4.1
322.19556	5.4
327.26678	0.5
350.30930	0.5
391.16284	0.4
395.19205	1.2
453.23340	3.6
454.13614	16.4
454.23590	10.2
455.15274	2.6
455.23917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10197	1.4
59.01390	12.4
61.98839	100.0
66.91244	1.4
71.01389	5.4
79.42395	1.5
85.02957	1.9
89.02454	4.4
101.02441	4.1
103.36588	1.4
113.02445	2.4
119.03533	2.4
135.11949	1.4
211.29585	1.5
291.19409	2.5
292.20013	6.9
435.89899	1.8
455.26468	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72210	0.6
61.98834	100.0
62.59798	0.6
65.86741	0.5
70.94457	1.1
86.54840	0.7
92.41228	0.6
99.56998	0.7
140.54419	0.7
224.89832	0.7
284.00955	0.7
415.28662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03456	52.8
59.01387	21.5
61.98842	11.0
69.39342	2.7
69.39729	1.5
71.01395	7.9
73.02949	2.3
74.79985	0.6
81.03471	1.2
83.01393	1.0
85.02950	2.5
89.02462	6.9
90.24823	0.7
99.00887	1.0
99.04530	34.5
101.02456	12.7
107.05038	2.4
111.00892	2.7
113.02467	3.2
119.03584	0.9
125.02458	16.0
129.01926	0.9
131.03528	1.1
134.03760	90.7
135.04100	2.7
143.03505	1.0
149.06099	100.0
150.06454	4.3
161.02388	0.7
161.04518	3.5
175.03970	1.1
178.02635	1.0
179.05579	1.2
191.05675	0.8
275.09305	0.7
304.04767	0.8
323.15018	4.2
367.65356	0.9
455.19418	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	455.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.8
57.03457	4.7
59.01385	44.4
60.01719	1.0
68.81462	0.9
71.01392	56.6
73.02566	1.7
73.02953	22.8
75.00878	1.1
82.35533	0.9
83.01394	9.7
85.02960	27.5
86.00102	1.6
87.00888	3.3
89.02457	12.8
95.01395	4.1
95.56015	0.9
97.02962	2.6
98.22637	2.1
99.00890	6.3
99.04498	2.0
101.02453	56.5
108.07761	0.9
111.00896	6.7
113.01716	1.6
113.02462	24.8
114.63647	0.9
119.03519	4.9
121.02962	16.1
125.02377	1.2
129.01926	1.2
143.03506	4.1
145.12350	1.7
159.02983	8.7
161.04576	47.2
170.25644	0.9
180.56985	0.9
221.06342	1.1
244.16745	0.9
307.17642	100.0
308.17966	6.7
334.13171	1.1
340.94559	1.2
343.21194	1.6
344.96979	1.1
455.19067	13.1
456.19278	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.2
57.03446	4.4
59.01385	43.1
67.01887	1.2
69.17163	7.9
71.01387	53.2
72.99332	2.0
73.02951	21.8
75.00899	1.1
78.02573	1.0
78.91872	1.4
80.47879	1.0
83.01401	10.0
85.02958	29.3
86.00105	1.5
87.00889	1.7
89.02452	11.7
95.01394	5.6
98.21878	2.4
99.00896	4.7
101.02454	51.4
111.00150	2.4
111.00887	23.7
113.02460	23.1
119.03516	3.6
121.02970	26.4
125.02492	1.6
129.01999	1.2
143.03517	3.2
143.07132	1.6
159.03036	5.0
161.04575	36.8
206.99051	1.4
239.19733	1.1
282.12253	1.2
299.18723	3.5
307.17651	100.0
308.17844	4.2
343.20987	2.4
440.17981	1.4
455.19177	35.7
456.19211	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	455.242
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23724	0.7
65.91972	0.7
69.80060	2.4
76.07185	0.6
78.95907	6.9
85.44910	0.6
114.19252	0.6
135.24023	0.7
152.99599	15.4
154.51456	0.7
167.51497	0.6
171.00676	1.2
227.03218	3.8
227.20178	100.0
228.20561	5.5
245.04309	1.3
313.74533	0.7
328.74014	0.7
335.09308	0.7
455.24216	20.2
456.24628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98356	48.9
57.81182	45.7
69.85216	42.3
70.22456	100.0
98.22652	72.0
137.02083	52.0
141.11624	46.4
174.92888	51.4
205.65768	53.8
224.16808	84.9
455.36395	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98833	100.0
62.09034	0.4
69.03457	0.6
69.61435	1.5
71.01060	0.3
71.01402	2.3
73.02969	0.5
75.00887	0.9
76.76220	0.4
83.01401	0.4
85.02970	1.5
87.00862	0.5
87.04513	0.8
89.02467	1.2
90.16907	0.3
93.97737	0.3
96.28608	0.4
97.02950	0.8
98.22594	0.6
101.02476	1.0
106.04276	0.6
111.00951	0.5
113.02496	0.7
115.96614	0.3
119.03609	0.3
119.05044	2.2
119.17395	0.4
124.01668	0.6
125.02469	2.5
131.04735	0.4
133.03004	0.8
133.05109	1.1
134.03729	0.4
135.04573	1.1
143.03497	1.0
150.09247	7.9
151.09634	0.4
154.13390	0.4
160.01714	1.2
161.02458	4.6
161.04515	0.4
163.04018	2.0
175.04030	1.2
179.03568	1.6
205.05202	0.4
262.07355	0.4
295.08032	0.4
323.07721	2.5
401.17917	0.4
456.14926	0.7
457.17538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	14.2
59.01393	79.2
59.78948	7.0
61.98812	7.3
69.25497	25.5
69.25906	16.9
70.84127	7.5
71.01390	33.9
73.02949	21.3
75.80750	7.0
79.01203	7.3
85.02949	12.1
89.02447	13.5
101.02435	36.0
113.02467	17.3
118.02997	13.3
121.77207	8.3
125.02480	14.7
152.03558	62.7
161.04553	12.1
254.04594	13.5
289.16730	18.4
318.27316	7.4
421.20905	100.0
422.21109	14.0
457.18298	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32255	5.0
59.01390	56.2
61.98833	29.0
62.40315	3.9
69.37803	4.5
69.38129	18.9
71.01073	5.6
71.01395	56.1
72.67370	4.1
73.02948	16.2
73.57785	3.7
75.17194	3.9
75.23518	4.7
83.01397	9.9
85.02949	20.8
87.00914	7.0
89.02460	20.0
95.01381	6.7
99.00884	9.1
101.02465	58.6
111.00883	8.4
113.02451	24.8
117.47513	4.0
119.05033	10.1
131.03482	5.8
134.03690	5.4
161.04564	25.3
163.04013	6.7
170.21082	4.7
179.03558	5.5
235.11946	24.8
251.09103	7.0
265.12927	8.2
291.51868	5.0
295.08154	6.3
397.17169	100.0
398.17691	7.1
470.96823	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	457.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32626	4.0
52.93280	4.0
58.02966	4.3
59.01382	53.2
61.98828	40.1
66.90812	4.2
70.74886	8.8
71.01389	32.8
73.02937	10.1
75.00874	13.2
83.01373	8.3
85.02938	8.7
88.04002	5.5
89.02458	15.3
93.03439	9.7
95.01376	5.3
96.00944	4.6
96.96021	6.0
96.96998	6.5
101.02448	38.6
111.00848	5.0
112.42133	4.3
113.02457	14.2
117.38612	4.5
119.05023	35.5
131.03630	5.6
132.78545	5.0
133.01462	5.5
133.06587	7.1
135.04550	11.8
149.02422	4.3
149.06070	5.2
161.04555	18.1
161.06085	15.6
163.03999	14.6
167.63943	4.8
174.99274	11.0
179.03477	14.6
179.05292	6.6
184.99376	4.1
191.07182	8.5
197.04536	7.9
200.54642	5.5
205.05070	13.1
217.00203	26.7
233.08296	7.8
233.16640	4.5
237.07762	4.7
252.09726	4.1
265.12903	26.0
276.12323	5.6
277.12808	9.0
295.08139	6.9
316.78531	4.8
341.08694	8.7
374.99060	16.4
397.17163	100.0
401.39056	5.0
403.38498	4.9
457.18893	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	457.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63322	0.8
71.01347	0.4
75.01269	0.3
83.93055	0.3
84.93877	1.2
89.32195	0.3
98.95449	0.6
99.92596	14.7
100.93375	89.8
101.93391	4.4
114.79908	0.3
115.92091	100.0
116.92097	4.3
116.92882	12.5
117.92811	0.6
130.75008	0.4
132.92384	1.0
172.95474	2.7
211.01491	0.4
214.96440	0.4
283.26373	0.5
293.28055	0.4
376.70126	0.4
409.20801	0.4
426.55652	0.4
457.22620	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	458.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01312	3.9
56.02926	3.4
59.01377	17.1
61.98837	100.0
69.20695	6.4
69.21109	15.7
71.01380	6.8
73.02927	4.0
83.99953	3.5
89.02435	7.9
101.02451	11.1
119.05028	4.9
128.03546	6.1
135.03023	8.8
135.04518	7.9
145.02925	4.7
154.03650	4.0
161.02316	4.2
179.03503	6.4
250.83426	3.6
323.08047	6.3
341.08658	5.4
390.22775	5.2
398.17468	9.3
407.21045	4.2
428.29202	5.0
458.21783	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	458.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68796	6.4
55.60667	7.1
59.01387	100.0
62.90980	7.5
69.64500	6.3
71.01380	26.8
85.02962	14.5
89.02449	18.2
98.21898	17.2
101.02457	18.5
113.02465	10.3
119.03487	7.0
177.62376	7.4
279.16125	8.2
295.08527	6.6
316.57382	6.7
363.83920	7.4
391.00516	7.2
408.41797	7.2
458.24591	8.3
459.22202	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	459.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23423	0.6
55.57740	0.7
59.01382	95.1
60.01693	1.2
64.42318	0.7
90.54892	0.7
97.94801	0.7
115.02521	10.3
117.00459	10.7
118.00568	0.7
119.45082	0.7
122.01987	0.7
127.93742	0.7
132.98209	3.1
143.80200	0.7
156.99939	2.1
157.03624	1.8
159.01500	92.0
160.01637	6.0
173.86484	0.8
174.99255	22.2
201.02560	16.9
202.02736	1.0
217.00313	43.4
232.98343	1.9
256.98264	0.9
259.01596	2.9
274.99399	5.6
298.99503	1.0
301.02676	56.3
302.02875	8.4
314.98962	1.1
317.00433	100.0
318.00623	8.3
374.99448	0.8
417.00452	2.1
459.01462	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.9
69.10189	1.2
69.10592	3.5
76.93739	0.6
83.01369	0.9
85.02955	0.7
89.02430	1.0
95.01405	0.7
98.21803	1.1
101.02473	0.8
107.01389	1.0
115.51891	0.7
132.02170	0.9
151.00438	0.8
183.04559	1.6
211.04010	1.4
213.05994	0.8
227.03517	76.7
228.03864	3.2
235.60664	0.6
255.03012	100.0
256.03607	10.8
284.03290	82.6
285.03952	14.6
286.04453	0.8
327.05142	1.2
368.94986	0.8
421.20981	1.5
423.21634	0.8
459.09366	98.7
460.09720	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13024	0.4
59.01384	3.7
59.59716	0.4
60.59510	0.4
69.22318	1.6
69.22736	1.0
71.31284	0.4
83.01402	0.5
93.03471	0.8
98.21796	0.9
107.01405	1.9
117.03454	0.6
132.02110	0.8
135.00859	0.7
151.00359	1.7
154.04497	0.4
159.04558	0.8
163.00371	0.7
164.01250	0.6
167.05074	0.8
183.04553	1.8
185.02463	0.5
187.04005	0.6
190.99846	0.5
199.04016	0.6
211.04019	2.6
214.02808	0.5
227.03514	42.9
228.03969	1.9
229.05066	1.5
239.03600	0.8
255.03000	77.3
256.03552	9.1
257.04343	1.2
269.04510	1.8
281.04297	0.5
283.02481	5.9
284.03278	100.0
285.03995	35.3
285.07339	0.8
286.04349	2.2
297.03864	0.8
399.07233	8.1
400.07813	0.5
423.22394	0.7
459.09351	27.4
460.09561	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	459.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29095	0.6
59.01386	6.8
61.98859	1.3
71.01382	3.6
72.99324	1.3
73.02998	0.9
75.00883	24.3
89.02459	6.9
92.28009	0.7
99.00916	0.9
101.02473	1.8
107.05070	0.9
109.84438	0.7
113.02509	0.9
117.01969	1.7
117.03514	2.3
119.05032	1.3
132.02190	3.5
133.02948	7.8
134.03799	5.4
135.03035	74.3
135.04556	100.0
136.03346	0.9
136.04886	3.1
147.04552	2.3
149.04520	1.8
149.06226	0.8
157.01462	0.8
160.01668	10.3
161.02469	57.8
162.02878	2.2
165.05594	1.3
175.04027	9.5
179.03517	97.4
180.03854	3.1
193.05046	3.5
226.80412	0.8
235.06195	0.9
297.05981	6.6
323.07761	46.9
324.07892	3.1
341.08792	29.4
342.09195	1.6
386.14850	0.8
459.11124	40.6
460.11298	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	459.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.0
61.98814	3.6
69.39428	3.4
71.01402	3.7
72.99280	2.4
73.02943	1.1
75.00877	33.3
78.91843	1.5
87.00832	1.2
89.02032	0.7
89.02457	7.1
96.00864	1.0
98.22634	1.9
99.00856	2.8
101.02422	2.1
107.04945	1.2
110.54940	0.8
112.99626	0.8
113.02413	1.4
117.01895	3.1
117.03423	3.1
119.05042	1.5
132.02129	2.5
133.02982	12.2
134.03671	3.3
135.02954	82.9
135.04477	92.6
136.03278	1.2
136.04848	2.8
145.02884	2.2
160.01688	3.9
161.02457	70.8
161.21082	0.8
162.02748	3.2
163.03856	0.8
177.05521	1.0
179.03508	100.0
180.03760	3.6
205.04967	1.0
207.31401	0.8
234.09785	0.8
291.96252	0.8
297.06171	7.5
323.07718	52.7
324.07898	3.5
327.08539	1.2
341.08771	46.8
342.08960	3.1
459.11166	28.0
459.24377	1.1
460.11343	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88761	1.2
55.27308	1.1
56.27590	1.2
59.01379	15.3
61.98818	6.5
67.50223	1.2
69.52215	4.1
71.01389	10.8
72.99313	1.9
73.02955	3.8
75.00880	28.4
83.01382	1.5
85.02967	3.1
87.00893	3.2
89.02448	10.8
92.26749	1.3
95.01359	1.5
99.00894	9.9
101.02465	7.6
107.05055	2.9
113.02464	4.6
117.01953	6.5
117.03474	1.2
119.03525	1.7
119.05070	1.2
121.05091	1.8
128.27737	1.1
132.02197	2.2
133.02983	4.5
134.03763	11.9
135.03017	40.4
135.04538	100.0
136.04887	3.7
147.04576	1.6
149.06039	2.0
160.01665	17.3
161.02467	27.6
161.04527	2.8
163.04115	1.3
175.04018	19.0
179.03511	76.9
180.03925	3.0
193.05089	9.0
204.82248	1.2
235.05853	1.6
237.06129	15.9
272.88269	1.4
279.07129	1.7
297.08313	74.4
298.08655	3.0
323.07715	22.9
324.08212	1.4
341.08804	14.9
341.35605	1.2
423.19122	1.8
459.11426	14.1
459.16061	6.3
459.24969	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	459.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16984	3.1
57.08432	3.6
57.21757	3.5
58.25547	2.9
59.01382	52.5
59.16008	3.4
61.98836	49.0
70.64794	7.0
71.01385	36.9
73.02953	11.2
75.00883	21.6
79.09527	3.2
85.02975	5.0
89.02454	83.8
99.00883	22.9
101.02458	41.9
113.02480	7.1
116.92930	5.6
125.23681	3.7
130.06648	3.8
131.03525	15.3
133.02950	7.8
135.03021	37.7
135.04541	42.0
137.41638	3.7
143.03540	6.1
149.04572	100.0
153.83559	3.3
161.02470	29.5
161.04532	4.0
179.03513	51.1
191.05627	17.2
221.06676	16.8
235.01219	4.1
251.07765	15.4
270.19656	4.0
293.08835	10.0
301.05057	7.7
311.09970	19.7
323.07816	22.4
341.08774	19.6
423.15356	7.4
431.38025	4.4
459.12686	75.8
460.12811	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	459.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03448	1.2
59.01083	0.9
59.01384	18.0
69.24288	0.5
71.01392	11.2
72.26361	0.5
72.99310	1.0
73.02937	2.5
73.90892	0.5
74.02482	2.1
75.00893	0.6
77.73757	0.5
83.01382	0.8
85.02962	3.5
87.00852	0.6
89.02451	8.1
89.03973	0.6
95.01401	0.8
96.00936	0.6
99.00860	1.4
101.02453	6.8
108.87549	0.4
111.00911	0.9
113.02452	3.7
115.03993	0.5
117.03468	1.8
118.96018	0.5
119.03516	2.1
119.05030	1.1
121.03008	0.6
121.05088	3.5
125.02427	1.2
130.08743	0.9
131.03510	0.8
132.02187	17.8
133.02937	1.7
134.03755	30.7
135.04495	2.0
143.03561	0.7
147.04539	0.6
149.04662	0.9
149.06082	4.0
153.05592	1.2
160.01671	83.9
161.02039	3.8
161.04561	1.7
175.04015	100.0
176.04312	4.3
177.01929	0.8
178.02679	1.2
179.03438	0.9
191.05663	0.6
191.07182	2.3
193.05070	44.1
194.05449	1.9
207.06570	0.9
233.06636	0.6
235.06171	6.2
283.10419	1.1
293.08627	0.7
295.08237	0.6
327.08862	0.6
327.14612	0.8
337.09265	0.9
380.18152	0.8
424.20947	1.0
444.13107	0.6
459.15060	73.8
460.15335	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	459.1513
Annotation	Paeonolide
Peak:m/z	Relative Intensity
55.01878	1.4
55.88242	0.8
57.03441	2.8
58.65730	1.0
59.01386	45.0
61.98835	1.5
69.03442	1.2
71.01392	32.8
73.02575	1.9
73.02956	28.0
74.03349	1.0
78.91879	2.0
83.01369	2.5
85.02959	11.7
87.00896	1.9
89.02453	37.1
91.05521	3.3
95.01379	3.7
96.96014	1.1
99.00892	100.0
100.01241	1.5
101.02451	15.6
111.00894	1.2
113.02460	31.8
119.03482	3.7
125.02439	2.3
128.03528	1.2
131.03500	10.7
135.04543	22.5
136.04874	1.1
143.03488	1.6
149.04564	23.9
160.01689	1.0
161.02428	1.5
161.04564	15.0
175.04054	1.0
179.05647	1.1
190.02684	1.1
191.03934	1.6
191.05629	22.4
205.05122	1.3
223.09831	1.6
233.06737	4.7
354.78912	1.1
459.14999	85.0
460.15332	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.5
59.01385	20.6
61.98838	4.7
69.68702	1.4
69.69088	1.3
71.01387	14.5
71.01735	0.9
72.59893	0.8
73.02973	2.6
75.00895	3.1
81.03456	0.7
83.01418	1.5
83.05047	1.4
84.95831	0.6
85.02967	5.5
87.00886	1.6
89.02464	10.4
89.03991	0.8
95.05046	1.2
98.21872	0.8
99.00915	2.0
99.04546	0.9
101.02445	8.9
111.04533	1.6
113.02458	4.2
113.74275	0.6
116.92896	0.8
117.03490	2.6
119.03533	2.8
119.05061	1.3
121.05093	3.8
121.06623	1.5
128.03578	1.6
132.02194	16.6
132.03177	1.1
133.02982	2.2
134.02692	1.6
134.03752	32.3
135.03047	3.9
135.04558	12.5
137.02448	0.9
139.07748	1.2
141.05458	0.7
147.04562	1.7
147.08173	1.3
149.06068	4.5
149.09766	1.1
160.01674	71.3
161.02409	5.1
161.04556	1.2
161.08153	1.3
165.05573	1.5
175.04019	100.0
176.04370	4.0
177.09204	2.8
178.02776	1.1
179.03514	10.1
180.03853	1.0
191.05727	1.7
191.07234	2.2
193.05070	44.2
194.05336	1.5
217.12335	1.8
235.06183	5.5
235.13336	1.0
265.07080	1.1
279.12378	2.8
295.08337	1.2
297.08389	6.0
298.14267	1.3
323.07709	1.9
337.09195	1.5
341.08749	2.2
370.11395	1.0
459.14874	65.9
460.15305	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.3
59.01370	11.7
71.01396	19.9
73.02953	12.4
80.92925	5.5
83.01389	64.0
87.00884	30.6
98.22717	8.4
99.00896	15.7
111.00890	74.6
112.98746	13.1
129.01973	12.1
145.01436	11.0
150.79961	5.3
154.99884	44.1
158.30988	5.5
245.19196	6.9
249.18602	100.0
250.19037	9.0
263.20178	12.3
291.19595	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	459.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18343	0.9
57.01371	0.9
57.03455	1.7
59.01383	21.5
61.98830	2.8
69.12990	2.3
69.13399	4.7
71.01373	7.7
73.02951	2.9
77.78185	0.8
79.95758	1.5
81.03461	4.5
82.35622	1.0
83.01357	0.8
85.02956	4.1
87.00893	1.3
87.68204	1.2
89.02461	5.2
92.25584	1.2
93.03466	4.5
95.01381	1.3
95.05051	1.2
96.96021	19.6
99.04531	5.8
101.02451	6.2
113.02457	2.8
117.03467	1.9
119.03506	1.5
119.05029	1.6
121.02963	6.6
122.03748	14.7
123.04519	1.9
133.02966	2.1
134.03726	7.1
135.04532	1.7
136.01729	1.3
141.85809	0.9
145.02982	5.7
149.02454	34.5
149.06116	2.3
150.03239	83.9
151.03757	2.5
161.02443	1.7
161.04572	1.3
162.28160	1.0
162.46344	0.9
163.03984	1.9
164.04774	5.2
165.05580	100.0
166.05920	3.4
175.03963	1.3
180.04309	5.9
193.05052	4.7
195.06638	42.1
196.06929	1.6
207.03009	1.4
227.03560	5.0
232.58670	1.2
236.74742	1.1
255.03108	6.4
263.01941	1.5
265.07263	1.3
284.03238	6.9
285.04163	2.5
297.13800	2.3
307.08243	1.6
314.11661	1.7
329.14005	12.0
330.14093	1.3
355.39478	1.1
371.23111	1.6
396.15634	1.2
411.18106	9.1
459.09097	4.9
459.18329	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	459.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18343	0.9
57.01371	0.9
57.03455	1.7
59.01383	21.5
61.98830	2.8
69.12990	2.3
69.13399	4.7
71.01373	7.7
73.02951	2.9
77.78185	0.8
79.95758	1.5
81.03461	4.5
82.35622	1.0
83.01357	0.8
85.02956	4.1
87.00893	1.3
87.68204	1.2
89.02461	5.2
92.25584	1.2
93.03466	4.5
95.01381	1.3
95.05051	1.2
96.96021	19.6
99.04531	5.8
101.02451	6.2
113.02457	2.8
117.03467	1.9
119.03506	1.5
119.05029	1.6
121.02963	6.6
122.03748	14.7
123.04519	1.9
133.02966	2.1
134.03726	7.1
135.04532	1.7
136.01729	1.3
141.85809	0.9
145.02982	5.7
149.02454	34.5
149.06116	2.3
150.03239	83.9
151.03757	2.5
161.02443	1.7
161.04572	1.3
162.28160	1.0
162.46344	0.9
163.03984	1.9
164.04774	5.2
165.05580	100.0
166.05920	3.4
175.03963	1.3
180.04309	5.9
193.05052	4.7
195.06638	42.1
196.06929	1.6
207.03009	1.4
227.03560	5.0
232.58670	1.2
236.74742	1.1
255.03108	6.4
263.01941	1.5
265.07263	1.3
284.03238	6.9
285.04163	2.5
297.13800	2.3
307.08243	1.6
314.11661	1.7
329.14005	12.0
330.14093	1.3
355.39478	1.1
371.23111	1.6
396.15634	1.2
411.18106	9.1
459.09097	4.9
459.18329	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03445	0.9
59.01384	100.0
60.01730	0.9
61.98834	0.7
69.03488	0.5
69.18839	2.6
71.01389	8.5
72.99326	0.7
73.02966	2.9
79.63628	0.4
83.01394	1.2
85.02971	2.2
87.04527	1.0
89.02449	4.8
95.01420	0.5
99.00870	0.9
101.02461	6.4
101.06101	2.4
113.02467	3.8
119.03526	2.0
125.02500	0.5
143.03557	0.6
161.04582	2.2
179.05666	0.9
227.03633	1.6
239.39452	0.4
255.02982	3.5
255.19878	0.9
280.72110	0.4
284.03308	3.5
285.04205	1.0
297.17191	3.3
297.20502	0.9
399.23914	2.5
417.24951	4.4
418.25238	0.9
423.22577	1.6
459.09451	2.2
459.22229	6.9
460.22366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2908
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
69.14023	0.6
70.84853	1.3
95.51974	0.6
107.05038	31.3
108.05405	1.2
163.11299	100.0
164.11624	4.2
192.65370	0.7
202.44888	0.6
259.99255	0.7
283.17059	26.7
284.17392	2.6
286.11346	0.6
295.13885	1.0
295.17038	15.2
296.17148	0.9
459.29062	72.6
460.29532	9.1
467.80688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30917	1.0
59.25263	0.9
61.98833	2.5
62.07346	1.0
69.03449	4.3
69.29304	5.5
77.00253	0.9
79.01901	2.1
91.56396	1.1
97.02984	2.7
107.01382	3.4
110.01334	1.0
120.15839	1.1
125.02432	4.9
133.01721	9.3
135.00868	9.9
136.04047	9.5
148.00438	9.2
152.03540	3.6
154.89014	1.0
165.00719	6.8
165.98618	1.0
180.03026	32.4
181.03630	1.2
185.17917	1.1
195.05374	27.5
199.32509	1.1
209.11841	2.5
210.12102	1.3
211.64021	1.1
212.03539	2.5
213.01970	3.2
229.01486	1.6
240.02989	7.2
256.02472	1.2
284.02032	21.5
298.03458	1.3
299.04343	23.1
300.05017	1.4
306.17941	1.5
316.04721	13.0
331.06982	100.0
332.07245	7.0
348.09000	1.4
359.06271	1.1
428.13522	2.8
460.16199	14.4
461.16260	1.2
470.35626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98841	2.2
74.25714	0.8
108.02203	1.1
109.02939	0.9
121.02966	1.8
122.02532	4.2
122.03725	1.4
123.03288	2.8
124.51760	0.9
125.38798	0.8
133.01698	4.3
134.02510	1.0
134.03735	1.2
135.00914	0.9
136.03983	0.9
148.00415	2.9
149.01170	1.8
150.01985	2.2
151.02754	1.9
152.07195	9.5
152.99628	1.0
158.02451	1.5
159.03282	3.9
160.04140	1.4
161.06137	1.2
162.02014	5.3
166.01471	3.2
172.04037	0.9
174.03233	3.7
174.05618	22.4
175.03996	0.9
180.03053	5.1
181.03806	6.7
182.04605	2.4
186.05614	19.2
186.06967	1.2
187.04112	1.2
187.06348	4.4
187.07816	1.1
188.04791	3.2
191.99609	0.9
195.05371	2.6
196.06183	2.7
200.07176	1.1
201.08000	1.9
202.02705	1.2
202.06438	8.4
202.08769	4.7
203.07204	6.2
207.01747	1.7
208.02434	1.0
213.05614	1.4
222.04105	1.3
230.08234	80.5
231.06615	6.5
231.08575	2.9
240.02927	1.6
250.72478	0.9
251.06035	0.8
252.06804	1.1
253.07526	2.5
262.05081	2.5
262.10931	9.1
263.05783	1.2
264.17453	1.0
266.04596	1.2
266.08270	1.3
279.05386	1.5
280.06168	6.6
280.09061	1.3
281.06946	2.7
281.10077	0.8
284.02115	2.5
290.04486	1.3
291.05664	1.0
291.08954	2.2
293.06894	2.6
294.07605	7.2
295.08408	3.7
296.01971	8.7
297.02466	1.8
299.04419	6.5
307.19012	1.5
308.05652	2.9
308.09271	4.1
309.10208	5.8
309.20828	5.1
310.03702	4.9
311.04431	4.0
319.08389	3.0
320.09482	1.3
323.07974	2.1
324.05310	1.9
331.07098	2.7
336.08743	4.0
337.05875	1.5
337.09518	5.5
338.07007	5.2
339.07883	1.1
340.08286	8.6
350.10681	1.2
352.08276	5.6
352.11923	2.7
353.09909	1.0
368.11304	2.5
381.08417	2.7
382.09006	1.4
384.10886	2.3
384.19592	1.1
396.10910	100.0
397.11203	8.5
401.30573	0.9
410.11990	1.2
428.13528	94.5
429.13904	8.2
460.16782	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65167	0.5
59.01386	9.5
61.98835	100.0
69.30271	2.3
71.01388	6.5
73.02956	0.7
75.00874	1.1
85.02974	1.5
87.00890	0.7
89.02453	8.4
89.02954	0.8
93.03446	1.1
95.01446	0.8
99.00874	0.9
101.02489	3.0
108.02206	2.2
113.02472	2.1
119.03534	2.0
119.05084	1.8
123.00900	1.5
123.04565	1.4
131.03555	0.8
134.03725	0.6
135.02975	1.3
135.04547	1.6
136.04855	0.9
137.02484	1.3
143.03580	0.8
149.04588	2.1
152.01190	5.2
154.07222	0.5
161.04591	1.2
167.03539	7.4
179.03568	2.1
179.05655	2.1
180.03923	1.6
236.55898	0.5
254.04681	1.4
277.43201	0.5
298.03879	0.6
298.11176	0.8
298.44952	0.5
299.11423	5.3
321.57108	0.5
333.38181	0.5
340.03775	0.5
342.09195	0.5
442.04886	0.4
460.12680	1.2
461.12848	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	460.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25870	0.4
53.53616	0.4
57.03456	0.4
58.02008	0.3
59.01382	7.8
61.98835	100.0
71.01381	4.3
71.44291	0.4
73.02956	0.8
75.00871	0.7
83.01413	0.5
85.02965	1.8
89.02444	3.9
93.03471	1.6
99.00911	1.3
101.02467	3.0
106.04253	1.1
108.04561	2.4
110.62066	0.4
113.02453	2.6
119.03511	1.0
119.05021	0.5
121.02969	1.0
132.03055	0.4
134.02481	0.5
135.03036	2.9
135.04547	4.6
136.04039	1.1
136.04901	2.3
137.02460	2.5
143.03542	0.6
149.04507	0.7
161.04607	1.3
167.03526	0.7
179.03557	6.3
179.05620	1.3
180.03867	4.7
297.08508	0.7
298.14511	2.0
342.09082	0.5
400.17859	0.9
460.11850	0.6
460.15018	0.4
461.13071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	21.5
64.04668	14.0
65.28771	15.7
81.17497	16.8
95.14819	15.6
98.21863	34.1
187.38867	16.5
190.51173	14.2
195.05415	19.2
206.81342	15.5
217.25262	18.3
230.08186	50.4
232.05357	15.2
331.06830	20.2
410.12646	100.0
416.58820	16.1
442.15179	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2113
Annotation	(R)-bitolterol
Peak:m/z	Relative Intensity
53.38017	3.6
59.01379	8.6
61.98830	20.7
69.43672	18.6
89.02444	4.5
93.03463	8.4
106.40603	3.7
109.02942	5.2
111.00132	3.4
111.00891	7.1
135.04630	4.6
137.02422	11.9
138.10457	4.5
163.32907	3.6
207.01733	3.9
211.44865	3.8
232.13077	3.9
259.47543	3.6
460.21146	100.0
461.21155	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	460.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20464	0.3
56.02611	0.3
59.23233	0.3
61.98833	100.0
64.29632	0.3
72.49638	0.3
72.86763	0.3
77.13608	0.3
77.48046	0.3
85.77525	0.3
89.08154	0.3
98.22717	0.7
169.35678	0.4
194.14322	0.3
205.31906	0.4
375.52341	0.4
410.12683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1305
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
50.43829	0.8
52.96770	0.9
58.00611	1.1
58.81980	0.8
59.01387	51.8
60.62480	0.9
61.98837	6.4
66.63550	0.8
70.70347	1.6
71.01389	29.8
73.02951	4.2
75.00872	1.0
83.01382	1.8
85.02960	6.4
87.00892	1.6
89.02457	38.0
93.03465	2.3
95.01409	2.0
99.00877	3.6
101.02449	19.2
101.15633	0.9
108.01465	1.9
108.02188	35.3
109.02928	2.6
113.02465	14.7
119.03519	15.8
119.05019	14.8
123.00906	0.9
123.04536	14.8
125.02460	3.0
131.03497	2.2
135.03030	0.9
137.02507	4.2
137.06102	3.9
138.05600	4.1
143.03519	3.7
149.04543	3.3
152.01176	73.9
153.01740	2.8
160.04083	1.2
161.04633	4.2
163.04010	2.0
167.03517	100.0
168.03844	3.4
179.05647	8.0
191.05626	1.8
208.59982	1.1
221.06642	1.1
299.11374	36.7
300.11514	2.0
329.08749	2.1
423.15021	1.6
425.16638	1.0
461.13010	44.4
462.13480	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	461.1458
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
50.12796	0.2
55.01865	0.3
57.03442	0.6
58.82106	0.2
59.01383	13.4
63.94655	0.2
71.01385	5.1
71.45200	0.2
73.02947	1.4
83.01388	0.5
85.02959	1.8
87.00872	0.4
89.02448	4.1
93.03443	0.3
94.12417	0.2
95.01420	0.4
99.00864	0.3
99.04520	0.6
101.02444	3.7
109.06601	0.4
113.02460	2.5
117.03474	18.5
118.03808	0.5
119.03564	1.5
119.05032	7.5
120.05421	0.2
121.02987	0.3
123.04503	0.8
124.62045	0.2
131.03555	0.2
132.05800	0.2
133.06609	1.1
134.03691	0.2
135.04539	6.7
136.04903	0.3
145.02962	100.0
146.03314	4.4
149.02411	0.3
150.03210	0.5
151.03566	0.2
153.05536	0.3
155.07132	0.2
157.00969	0.2
160.54060	0.2
161.02534	0.2
161.04730	0.4
161.06110	2.8
163.04016	6.2
163.11307	0.4
165.05536	0.5
166.05963	0.2
176.57857	0.2
177.05623	1.0
179.05550	0.2
180.01224	0.2
181.12328	0.3
181.92371	0.2
187.04062	0.3
191.97133	0.2
196.07024	0.3
205.05087	2.1
207.10242	1.1
225.11296	1.3
235.06151	0.5
241.01538	0.2
253.09242	0.4
265.07205	1.0
270.01703	0.2
281.17593	1.7
285.03931	0.2
297.09946	0.5
308.23709	0.2
315.10870	5.2
316.11307	0.3
401.21780	0.4
443.23026	0.6
447.71613	0.2
461.14560	21.2
461.24048	6.3
462.14963	2.2
462.24280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03440	1.5
59.01384	100.0
60.09143	1.2
61.98836	7.1
68.56297	1.6
70.27630	2.8
70.28003	2.6
71.01387	51.5
73.02962	4.0
75.00868	2.5
79.94861	1.4
83.01395	2.6
85.02961	10.2
87.00906	4.1
89.02451	69.9
93.03465	1.9
95.01400	6.4
99.00895	4.5
101.02453	30.3
108.02182	27.4
109.02986	3.3
113.02455	23.6
119.03519	31.1
119.05027	31.9
120.46526	1.3
123.04522	11.8
125.02480	2.7
131.03528	3.6
135.03004	6.6
135.04514	2.6
137.02454	6.0
137.06104	4.8
138.05609	14.8
143.03540	4.9
144.33943	1.5
149.04559	4.8
152.01164	56.9
153.01720	1.4
161.04591	9.8
163.04028	2.2
167.03510	82.1
168.03827	1.7
179.05626	15.8
227.96364	1.6
252.56596	1.4
263.07639	1.3
299.11380	62.5
300.11746	4.0
329.09006	2.3
419.27722	1.5
461.13007	32.9
462.14145	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	461.1669
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
55.01868	2.0
57.03455	2.1
59.01383	100.0
61.98838	10.0
69.24110	5.9
71.01389	65.7
72.99300	3.1
73.02955	14.1
77.42657	1.0
81.30272	1.1
83.01394	5.4
85.02957	15.0
87.00877	6.4
89.02452	65.3
93.03447	2.5
95.01405	3.8
97.02982	1.6
99.00890	3.8
101.02455	48.3
113.02464	26.9
114.03593	1.3
119.03526	31.2
119.05005	16.5
125.02461	2.6
131.03506	6.2
137.02475	3.6
137.06102	1.6
138.02014	4.8
138.05638	1.3
139.07706	2.8
143.03539	6.6
149.04584	3.4
153.05600	1.2
159.03091	1.5
161.04573	17.1
168.07951	1.7
179.05618	29.4
191.05632	1.1
191.10823	1.6
221.06718	9.9
239.12822	2.4
299.11398	18.4
300.11740	1.8
337.53030	1.1
371.17401	1.3
378.76071	1.0
401.18314	2.5
442.61502	1.2
450.01807	1.2
461.16721	90.8
462.17056	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	461.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	74.6
61.98828	27.8
71.01385	27.2
71.92928	5.2
73.02964	10.5
78.95917	19.5
85.02956	7.8
89.02431	28.4
99.00886	10.3
101.02467	16.0
105.03414	5.5
113.02471	12.7
120.82853	6.6
121.02950	42.2
149.04552	12.9
152.07176	18.2
152.99614	24.1
165.12872	19.4
191.05630	6.8
207.10202	7.9
208.83661	5.5
219.17494	6.8
225.05501	5.9
263.16516	100.0
264.16977	6.9
292.20078	7.4
309.20682	10.9
310.21130	17.6
328.99994	6.3
397.10608	5.1
401.08902	16.9
403.09445	9.5
425.00137	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	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	42.6
58.00615	1.1
59.01385	100.0
59.59846	0.9
60.01735	0.9
61.98868	1.2
65.99832	1.0
69.10188	5.7
71.01390	29.8
71.01788	1.7
71.05027	3.6
72.99324	1.1
73.02951	15.4
81.03471	1.6
83.01405	4.6
85.02957	6.2
87.00853	1.6
89.02451	25.6
95.01403	2.4
97.02934	1.8
98.21954	1.8
99.00883	4.7
99.04528	36.2
100.04922	0.9
101.02454	28.1
109.06622	1.3
111.00890	1.3
113.02469	9.3
113.06085	1.2
115.11474	0.7
119.03530	4.5
120.89781	0.7
123.04519	1.9
125.02471	17.1
126.10387	0.9
131.03523	3.2
133.02945	1.1
137.02451	1.0
143.03519	3.5
143.07158	22.2
145.02979	0.9
149.04564	4.7
154.01515	1.8
155.01820	1.7
155.03624	1.1
161.02469	2.5
161.04549	4.5
167.10791	1.6
168.03047	2.0
168.29729	0.8
170.02585	1.3
179.05658	2.3
191.05713	2.0
200.03690	1.3
207.10248	3.0
212.03497	0.9
224.03436	1.2
225.11374	3.4
226.11623	0.7
233.06668	4.4
240.10373	3.2
241.01465	3.3
242.02254	2.9
253.09361	1.2
263.13028	1.3
267.01727	1.7
268.02533	1.1
270.01682	3.1
271.02545	1.9
275.11475	0.8
286.01764	1.8
293.08801	7.3
298.01160	1.9
299.02008	3.3
300.05157	8.9
317.16013	1.5
318.04526	1.2
326.02646	0.8
329.16193	0.9
335.13528	3.7
359.17505	1.2
377.18256	1.2
389.18240	3.5
419.19101	8.4
430.07541	1.3
461.06845	3.9
461.14053	1.6
461.19449	8.7
462.10785	1.5
462.20819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01616	1.2
57.03407	1.4
58.00599	2.8
59.01384	100.0
61.98830	3.0
64.36223	1.2
69.03448	5.1
69.05188	1.8
69.05592	7.3
71.01389	71.9
72.99322	2.2
73.02953	20.3
74.02459	1.9
75.00872	3.1
76.62399	1.2
81.03471	3.0
83.01395	4.3
85.02956	10.1
87.00884	3.4
87.04511	1.5
89.02453	92.7
90.02784	1.6
93.90630	1.2
95.01398	1.7
97.02953	11.9
99.00901	22.8
99.04513	2.1
101.02445	29.6
113.02455	8.9
115.04002	5.0
119.03461	1.8
125.02462	35.3
131.03534	12.1
143.03522	4.3
149.04578	27.0
161.04605	2.3
167.10802	15.8
191.05637	9.6
191.10818	2.4
209.11920	1.7
221.11937	2.5
231.08664	1.5
233.06680	17.5
293.08810	25.1
299.18695	4.2
378.79758	1.4
461.14606	1.6
461.23483	14.8
462.27194	1.6
486.06064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
58.00573	1.2
59.01385	100.0
61.98837	26.6
64.41816	1.3
71.01387	48.6
71.41301	1.4
72.99328	3.2
73.02943	3.3
81.03477	1.3
83.01385	1.9
85.02952	6.4
87.00875	3.5
89.02453	65.7
93.03477	6.2
95.01386	2.8
99.00889	3.5
101.02453	21.9
105.59968	1.2
108.02181	4.9
112.93864	1.4
113.02464	18.0
119.03506	25.1
123.04588	1.6
125.02445	2.3
129.80904	1.3
131.03479	3.2
131.07195	1.2
135.04532	3.8
137.02455	14.7
138.01965	20.3
138.05634	2.3
143.03485	4.1
149.02486	2.0
149.04584	4.0
153.05568	2.5
161.04572	7.6
166.05167	1.7
167.03517	3.6
179.03433	1.6
179.04001	2.2
179.05617	27.4
179.07166	1.8
191.05576	1.7
200.20499	1.4
221.11713	2.1
223.01149	1.8
228.37344	1.3
238.03661	2.3
268.04587	1.8
281.06653	2.1
285.91599	1.4
383.62369	1.3
401.18326	1.9
430.10068	2.2
461.12070	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	462.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53296	0.5
57.03440	0.5
59.01385	11.8
60.01696	0.7
65.99857	0.7
69.03453	1.9
69.82487	1.7
71.01389	5.3
73.02956	2.8
77.27730	0.6
79.01903	1.8
80.76708	0.5
85.02953	1.5
87.00852	0.5
89.02457	8.7
94.02969	0.7
95.01371	0.6
96.95988	0.6
97.02973	1.3
99.00880	3.0
101.02423	2.7
107.01405	3.4
108.02184	1.1
109.02975	0.8
112.07599	0.6
112.19883	0.5
113.02460	2.0
118.98036	0.5
119.03512	0.8
121.01666	0.5
121.02933	0.8
122.02511	2.3
123.03284	18.2
124.03570	0.6
125.02461	1.6
131.03532	1.4
133.01726	8.0
134.02502	100.0
135.00903	7.0
135.02838	3.7
149.01201	1.4
149.04590	4.0
150.02008	0.7
152.03557	1.0
157.02982	0.9
161.04564	1.1
164.03653	0.8
166.01474	1.1
168.03043	1.5
186.03297	0.7
191.05687	1.0
212.03563	1.2
213.01973	11.4
214.02716	2.2
228.03062	0.5
229.05002	1.1
238.56062	0.5
240.02989	2.4
241.01448	13.3
241.03864	12.5
242.02171	2.1
242.04482	1.4
256.06155	4.1
257.03326	1.9
257.06439	0.7
258.04034	3.4
259.02072	1.0
259.04868	20.1
260.05219	1.3
272.05640	1.0
273.06424	1.4
274.07236	28.6
275.07538	2.0
279.11719	0.6
284.02231	0.7
285.02829	6.8
286.03366	0.8
299.04199	0.6
300.05164	64.3
301.05569	4.8
318.06235	1.2
350.31369	0.6
418.11502	0.5
447.08157	1.1
462.11472	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	462.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.29165	0.3
57.03437	1.1
59.01385	24.0
64.05392	0.3
68.01405	0.5
69.45427	1.3
71.01392	10.8
72.99308	0.5
73.02954	2.3
79.05531	0.3
83.01399	1.1
85.02972	2.9
87.00886	1.1
89.02452	11.6
94.98132	0.6
95.01385	0.9
97.02993	0.7
97.06606	0.4
99.00899	1.3
99.04530	1.1
101.02452	9.2
107.71930	0.3
108.02198	0.6
111.00868	0.4
112.04076	2.2
113.02458	5.2
116.92890	0.5
119.03517	6.6
122.02457	0.7
123.03278	11.1
123.04579	0.5
123.06543	0.3
125.02461	3.0
131.03519	1.1
136.07675	0.3
137.04828	0.5
138.02031	3.1
138.05626	100.0
139.06003	2.9
140.07187	0.8
141.01984	0.4
143.03531	1.5
149.04596	1.1
152.07196	0.4
154.05075	0.9
161.04590	3.0
166.05112	4.9
179.05611	3.9
180.06657	2.2
184.06151	0.9
191.05630	0.4
221.06703	3.1
245.06621	0.8
263.07782	1.3
283.11972	1.4
300.05142	0.4
300.10828	1.9
302.12372	0.3
305.16217	0.4
323.09949	2.5
357.16528	0.3
437.59286	0.4
462.16226	11.6
463.17224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01386	12.7
61.98825	1.0
68.01428	0.5
69.87621	1.0
71.01386	8.0
72.99332	0.4
73.02953	1.5
81.03461	0.4
83.01405	0.9
85.02950	2.3
87.00880	0.9
89.02453	8.2
91.70950	0.3
95.01396	0.5
96.96048	0.4
97.02991	0.5
99.00890	1.1
99.04536	0.4
101.02454	8.2
103.36310	0.3
103.37061	0.4
110.67496	0.3
112.04054	0.8
113.02453	4.2
113.03156	0.4
119.03513	4.7
122.35419	0.3
123.03279	11.3
125.02450	2.3
131.03491	1.0
137.04872	0.6
138.05626	100.0
139.05991	2.5
140.07153	0.5
143.03531	1.1
149.04590	0.6
152.07178	0.7
161.04593	2.5
162.77382	0.3
165.04271	0.4
168.00543	0.4
179.05630	2.2
179.07132	0.6
180.06670	1.7
221.06670	2.4
245.06758	0.5
256.13507	1.1
257.09293	0.3
263.07788	1.1
300.10898	1.5
323.09897	2.2
462.16278	10.6
463.16602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.4
57.03456	2.1
57.26961	0.3
58.00599	0.4
59.01386	26.2
60.01723	0.3
68.01402	0.5
69.03458	0.4
69.45935	1.2
71.01390	11.3
72.99319	0.3
73.02951	2.3
75.24659	0.3
79.05579	0.3
83.01398	0.9
85.02956	2.6
87.00882	0.7
89.02454	12.6
94.98096	0.5
95.01411	0.8
97.02950	1.0
97.06612	0.4
98.22682	0.4
99.00878	1.6
99.04520	1.0
101.02454	10.2
103.28414	0.3
108.02202	0.4
112.04059	2.6
113.02464	5.9
116.92846	0.4
119.03521	6.7
122.02531	0.3
123.03281	11.2
124.07670	0.3
125.02478	3.0
131.03523	1.1
134.02528	0.5
137.04837	0.4
138.02094	1.5
138.05627	100.0
139.05937	3.2
140.07207	0.7
143.03537	1.3
147.40768	0.4
149.04575	1.1
152.07161	0.8
154.05125	1.1
154.08754	0.5
161.04570	4.4
166.05092	3.1
167.03508	0.3
176.29851	0.4
179.05672	3.7
179.07204	0.4
180.06670	1.8
184.06160	0.8
187.61769	0.3
210.07787	0.4
221.06656	2.9
245.06682	0.5
245.88405	0.3
252.22452	0.4
263.07687	1.0
274.09372	0.4
283.11786	1.7
285.44525	0.3
300.05389	0.4
300.10858	2.1
323.09869	2.4
340.88504	0.4
460.25644	0.3
462.09622	0.4
462.16208	10.6
463.17120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45314	0.6
59.01387	4.5
61.98836	100.0
68.33337	0.7
69.34567	3.4
71.01382	1.1
78.95930	2.0
85.79532	0.7
101.02498	0.8
115.65174	0.8
151.36861	0.6
152.99585	1.6
227.13013	1.0
265.98724	0.7
332.43832	0.6
349.17960	0.7
350.04749	0.6
463.15897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98835	100.0
71.01386	0.6
71.44366	0.8
82.41207	0.5
152.45108	0.6
155.98210	0.5
205.97070	0.6
227.83125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.14314	0.9
81.76397	0.9
82.99000	0.9
91.20173	0.9
97.98521	1.0
101.18075	0.9
130.58823	0.9
152.99567	2.5
273.62119	1.0
280.18625	0.9
384.82416	1.2
407.96021	0.9
421.78140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57212	0.5
57.03451	0.6
59.01381	11.1
63.02399	0.7
65.00329	1.7
71.01389	7.9
73.02955	2.4
78.14590	0.5
83.01387	1.6
85.02961	2.4
87.18045	0.6
89.02460	8.5
91.01893	0.7
99.00885	2.3
101.02444	6.5
107.01380	4.3
108.02188	1.8
109.02933	1.7
113.02492	2.6
119.01392	0.9
119.03526	1.3
121.02969	2.2
125.02456	1.2
131.03517	1.5
135.00888	1.3
148.01675	2.9
149.04575	3.9
151.00375	13.8
159.03087	0.6
159.04532	0.9
161.04544	2.5
163.00412	3.2
164.01161	1.0
178.99875	4.8
179.05576	0.6
183.04529	0.7
190.99944	0.6
191.05556	0.8
199.04028	1.4
200.04855	0.6
201.05670	0.5
211.03979	1.0
215.03525	0.8
216.04340	0.9
226.02740	2.1
227.03519	4.5
229.05029	0.6
243.00629	1.1
243.02991	13.7
244.03665	0.7
245.04482	1.4
254.02272	3.2
255.02998	29.7
256.03467	1.6
271.02509	72.8
272.02872	4.8
273.04034	0.8
283.02557	1.2
291.19781	0.6
292.98056	0.6
299.01993	1.7
300.02774	100.0
301.03522	56.5
301.07175	0.8
302.03824	2.6
331.17661	2.8
463.08868	75.1
463.21613	4.2
464.09125	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	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
58.51176	0.8
59.01385	9.1
61.98825	2.0
63.40042	0.8
69.03468	1.0
71.01387	5.0
71.41527	0.9
73.02940	1.1
82.96833	0.8
83.01392	1.5
85.02957	1.3
89.02435	4.6
95.01379	1.3
96.95989	1.0
97.02946	1.1
99.00863	1.6
101.02437	3.4
108.02220	1.2
113.02454	2.7
114.05584	0.9
119.03524	1.3
122.65094	0.8
123.00918	7.6
123.04471	1.0
124.01683	26.8
125.02472	27.0
139.03833	1.2
139.49103	0.8
140.07164	1.3
149.04576	1.2
149.99600	36.3
150.94727	0.8
151.00235	2.4
155.31845	0.9
160.04123	1.0
161.04547	0.9
162.05588	0.8
167.03566	2.1
168.00659	100.0
169.01358	6.6
172.96342	0.8
179.03658	0.9
187.24596	1.1
225.03937	1.6
233.72151	0.9
243.26833	1.0
259.98645	1.2
273.96713	1.7
278.20102	0.9
279.10971	1.2
283.11588	1.6
295.10757	0.9
300.98004	1.1
317.03452	1.0
319.10059	1.5
331.06735	2.9
361.11133	1.3
363.02420	0.8
404.02951	2.0
425.16275	0.9
427.17755	1.0
445.09625	1.9
463.10947	88.8
464.11328	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	463.1098
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
55.62673	0.5
57.03453	8.0
59.01381	7.7
61.09539	0.5
65.00330	5.6
67.85228	0.5
71.01380	4.0
73.02948	1.2
75.00906	0.5
78.91847	0.7
80.91680	0.9
81.03457	1.0
83.01394	5.9
85.02951	1.1
89.02458	3.0
99.00878	2.0
101.02457	2.0
107.01398	10.1
109.02927	0.5
111.00897	1.2
113.02454	2.5
119.03485	1.0
121.02942	0.7
123.00873	1.2
123.04502	0.8
124.01664	3.8
125.02457	61.6
126.02801	2.3
139.04024	2.4
140.07240	0.7
143.03503	0.5
146.86676	0.8
149.02458	1.4
149.04530	0.6
149.99489	0.6
151.00383	51.2
152.00700	1.8
161.04576	1.2
167.03494	1.0
168.00653	6.1
169.01448	11.8
175.00452	1.3
179.23819	0.5
193.01398	1.0
235.02567	0.7
239.86804	0.6
241.07098	0.6
257.13925	0.9
273.35806	0.5
290.97043	0.8
295.04517	0.6
301.09320	1.0
301.12598	0.9
318.00983	0.5
343.00165	0.6
343.06833	1.0
427.09042	1.1
427.17764	1.4
445.09833	2.4
455.88861	0.6
463.10938	100.0
464.11285	10.2
464.17380	0.9
464.24496	0.7
474.90073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2108
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
55.17661	0.4
59.01377	1.1
61.47675	0.4
61.98837	3.4
70.98447	0.5
71.62920	0.4
78.95912	57.0
81.61353	0.4
87.00904	0.6
96.96000	0.5
96.96973	6.1
101.02419	0.5
128.14780	0.4
128.37518	0.5
150.97995	1.6
152.99602	100.0
153.99936	1.1
160.04106	0.4
171.00679	5.0
209.11832	0.9
217.00273	0.5
242.22191	0.5
277.49216	0.4
337.72125	0.5
360.57751	0.5
463.20993	15.0
464.21136	1.6
469.98770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
57.03450	4.0
58.00597	0.6
59.01385	31.4
60.01723	0.5
64.50483	0.4
69.03463	1.6
71.01388	42.4
71.05034	0.6
72.99312	1.3
73.02951	19.8
75.00866	2.4
80.91677	0.8
81.03458	0.9
83.01398	6.6
85.02959	20.5
86.00107	0.5
86.03258	0.5
87.00890	2.6
89.02456	14.7
93.03463	0.6
95.01389	2.7
97.02960	2.6
99.00892	9.0
99.04529	1.0
101.02456	39.3
102.02788	0.5
111.00880	1.1
113.02460	20.2
115.04019	2.2
119.03538	2.0
119.05002	0.9
125.02481	3.5
129.01971	0.7
130.26183	0.4
131.03517	3.1
133.01753	0.4
134.02502	2.0
143.03496	2.9
143.07161	0.9
146.06116	0.5
148.35707	0.4
149.04547	3.3
159.02997	3.9
159.89450	0.4
161.04575	21.6
162.04938	0.5
163.04076	0.6
165.12898	0.5
169.00174	0.8
179.05618	1.0
191.05626	1.8
209.11861	7.8
227.12949	1.6
233.06683	1.9
239.12984	0.5
241.03838	0.7
253.09428	1.1
271.02554	0.5
293.08795	1.0
301.03619	0.7
302.10406	0.5
329.15128	0.8
331.17639	29.0
332.07718	1.4
332.18036	1.8
343.13205	0.4
359.17166	0.5
373.13983	3.6
377.18387	0.7
381.18008	0.7
403.15155	0.5
403.19891	0.8
419.19202	2.0
423.69144	0.5
463.21930	100.0
464.10535	1.3
464.22241	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01383	100.0
60.01709	0.7
70.02032	1.6
70.02385	0.7
70.71603	0.5
71.01385	13.6
71.01740	1.0
73.02952	1.3
79.05588	1.1
81.27534	0.5
83.01400	0.9
83.21377	0.6
85.02962	2.4
87.00903	0.6
89.02450	22.5
94.98096	1.3
95.01408	0.7
99.04582	0.6
101.02452	8.1
112.04083	0.6
113.02458	6.6
118.50605	0.5
119.03505	9.3
123.04602	0.7
131.03505	0.7
141.05634	0.8
143.03537	1.9
149.04565	1.1
154.28523	0.5
161.04581	2.6
167.07190	0.8
179.05621	7.6
283.11896	3.1
299.05304	0.6
305.16174	2.9
312.46979	0.6
403.20328	0.6
463.22485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2188
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
51.89881	0.5
54.87177	0.5
55.01889	2.2
56.02494	0.5
57.03453	2.7
58.00594	1.5
59.01382	100.0
69.03464	1.8
69.47810	0.8
69.48205	1.2
71.01385	68.7
72.01733	0.6
72.99307	1.6
73.02946	22.5
75.00887	1.5
80.06323	0.5
81.03468	0.9
83.01389	5.2
85.02951	13.9
86.97853	0.4
87.00883	1.9
89.02448	96.2
90.02789	1.3
95.01389	2.9
97.02977	3.1
99.00882	25.7
99.04516	1.0
100.01240	0.6
101.02448	50.5
102.02779	0.9
108.58907	0.5
111.00924	1.0
113.02454	21.4
115.04031	1.5
115.92442	0.5
119.02659	0.8
119.03508	15.3
125.02457	6.9
129.01970	0.5
131.03514	16.6
143.03494	3.0
149.04565	57.9
150.04924	1.3
159.02983	1.0
159.79836	0.5
161.04567	8.6
179.05623	5.0
191.05641	14.3
209.11815	0.5
210.50166	0.5
221.06604	2.4
233.06676	3.0
251.07782	4.5
284.58221	0.5
293.08826	1.3
331.17606	4.9
385.13303	0.5
403.19696	0.8
419.19034	0.5
463.21872	41.4
464.22061	3.8
473.73993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32738	0.9
52.91599	0.8
55.01894	5.1
57.03439	4.5
58.00606	1.4
59.01385	100.0
69.03455	1.6
69.24567	2.4
69.24971	2.7
71.01389	97.0
71.19672	0.9
72.99313	2.2
73.02953	34.7
75.00882	2.4
83.01407	7.7
85.02960	29.8
87.00875	3.1
89.02451	93.4
90.02824	1.2
95.01398	5.2
97.02950	5.9
99.00890	26.7
99.04486	1.1
101.02457	59.8
113.02464	30.4
115.04011	2.7
115.64343	0.9
119.03526	12.8
124.52422	0.9
125.02464	7.7
129.01976	1.3
130.74139	0.8
131.03517	13.3
143.03506	2.9
149.04568	39.6
159.02998	2.9
161.04576	35.1
161.30721	0.8
162.04796	1.0
179.05612	2.5
191.05630	10.6
198.43088	0.9
209.12033	0.9
233.06659	3.5
249.19437	1.1
251.07764	2.0
293.08789	1.7
305.86172	0.9
331.17624	30.0
332.17978	2.3
385.40372	1.0
463.21906	99.3
464.22244	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03440	1.6
59.01385	89.7
69.03463	1.3
71.01389	57.9
72.99329	1.1
73.02568	1.4
73.02958	21.7
77.69983	0.9
83.01394	2.7
84.02220	0.9
85.02968	9.6
87.00839	1.1
89.02453	100.0
90.02781	1.6
95.01389	2.7
97.02955	1.9
98.12160	0.9
99.00893	29.7
99.73999	0.9
101.02458	41.7
107.01353	2.1
111.06232	0.9
113.02453	12.8
115.04000	1.7
119.03506	10.2
120.91564	1.3
125.02447	4.2
131.03526	15.3
134.02509	6.0
135.02802	2.5
143.03493	3.1
148.00374	1.1
149.04572	56.9
151.00397	4.9
161.04596	5.2
178.99855	1.8
179.05652	4.6
191.05623	13.1
215.03210	1.2
221.06747	2.0
227.03595	1.3
243.02985	5.5
245.31075	0.9
251.07683	3.0
255.02942	8.5
271.02509	23.0
272.02985	1.9
300.02734	39.1
301.02988	11.6
302.03705	1.6
318.05743	1.0
319.06186	1.0
331.17654	3.8
394.94064	1.0
463.08826	21.6
463.21906	29.6
464.08942	1.9
464.22424	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	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32266	0.5
55.01902	1.0
57.03452	2.3
59.01384	16.7
59.01663	1.0
60.63314	0.4
61.98833	0.8
69.04590	0.4
69.72295	0.6
69.72647	2.0
71.01387	8.6
73.02959	3.6
81.53522	0.5
83.01409	1.8
84.39112	0.5
85.02976	2.1
87.00879	5.0
89.02453	6.4
90.13437	0.4
97.06567	0.6
98.22532	1.0
99.00922	0.7
99.04540	1.2
101.02453	9.0
103.90468	0.6
111.08160	1.6
113.02462	4.4
119.03536	1.8
125.02493	0.8
130.20407	0.5
149.04565	0.6
161.04558	2.9
165.12859	21.0
166.13214	1.1
179.05595	1.0
183.13905	100.0
184.14240	3.9
187.07776	0.5
203.67647	0.5
209.11929	3.0
227.12889	26.9
228.13277	1.1
235.08162	0.8
253.09280	9.2
301.03305	0.8
313.14496	0.7
463.21683	84.3
464.22144	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	463.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.1
55.60463	0.5
55.85706	0.5
57.03443	2.3
59.01385	24.5
61.98823	0.7
66.96235	0.4
69.03452	0.8
69.65523	0.7
69.65891	0.9
71.01391	13.2
71.05034	0.8
72.99327	2.8
73.02956	4.3
83.01370	2.3
83.05029	1.8
85.02955	5.6
85.06596	0.6
86.00072	0.8
87.00890	1.6
89.02454	6.5
95.01392	1.3
99.00876	1.4
99.04536	1.4
101.02457	11.7
107.92422	0.5
111.04528	1.4
113.02455	4.6
115.07663	1.4
119.03522	1.3
122.97719	0.5
125.02443	1.2
129.09300	0.6
131.03490	0.7
137.02460	0.4
149.04597	1.3
159.02921	0.5
161.04553	1.5
191.05553	0.6
209.11902	1.3
214.55289	0.4
237.18687	1.1
255.02931	0.7
271.02457	1.2
283.19193	1.1
300.02719	2.5
301.03445	1.8
301.20233	8.8
302.20615	0.6
310.30908	0.6
445.24686	1.1
463.25552	100.0
464.25909	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	463.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03456	2.3
58.00574	0.5
59.01385	16.6
69.03468	0.7
71.01389	12.3
72.99307	0.6
73.02958	5.3
83.01390	1.9
85.02960	5.5
87.00877	1.1
89.02453	5.8
95.01392	0.9
97.06622	1.3
98.11098	0.4
98.22672	1.3
99.00888	2.8
99.04533	1.6
101.02455	11.4
111.00878	0.8
113.02448	3.3
119.03515	1.2
125.02432	1.5
125.06100	0.6
128.29063	0.6
131.03499	0.5
134.02528	2.4
139.76036	0.4
149.04547	3.3
161.04562	1.2
163.10799	0.5
199.13432	0.8
209.11876	0.8
227.12900	1.9
235.41151	0.5
237.18680	1.0
242.98132	0.5
252.45117	0.4
253.09261	0.6
253.15910	0.5
270.04047	2.1
271.02597	0.6
283.19174	1.5
300.02637	1.1
301.20218	4.4
302.06781	1.5
309.56198	0.5
445.24649	2.2
463.25577	100.0
464.11859	1.5
464.25894	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	463.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
57.03446	2.0
58.00596	0.4
59.01386	23.3
59.81638	0.4
60.01707	0.5
61.98826	0.4
69.03451	0.7
69.14826	1.7
69.15231	0.6
71.01391	15.2
71.01791	0.7
72.99317	4.1
73.02951	6.4
75.00893	0.8
81.03503	0.5
83.01402	3.2
83.05031	2.0
84.57304	0.3
85.02958	7.0
85.06598	0.4
86.00097	0.9
86.03283	0.3
87.00886	3.1
89.01936	0.6
89.02458	8.8
95.01398	1.2
99.00903	3.1
99.04542	0.8
101.02449	14.7
111.00909	0.9
111.04504	2.1
113.02460	5.5
114.02797	0.4
118.03009	1.3
119.03514	1.7
124.09209	0.3
125.02468	1.3
129.02008	0.5
129.05605	1.0
131.03506	1.3
143.03531	0.5
149.04594	2.2
159.02977	0.4
161.04515	2.6
171.13896	0.5
191.05594	0.7
219.17639	0.5
221.06680	1.0
224.36301	0.4
226.05118	0.4
233.06636	0.4
237.18610	0.7
255.19794	0.7
265.18042	0.4
270.04120	2.2
271.02539	0.4
283.19315	1.1
284.03186	0.4
300.02689	0.4
301.20294	3.9
302.06750	0.7
331.17542	1.2
419.17142	0.4
427.97229	0.4
445.24417	1.9
463.25583	100.0
464.25946	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	464.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03273	0.7
57.03453	1.4
59.01386	9.8
61.98836	15.3
70.96095	1.2
71.01388	6.5
73.02959	0.8
78.94212	0.7
85.02951	0.9
87.00890	1.3
89.02441	2.6
96.96020	34.3
99.04517	1.0
101.02463	2.5
102.22830	0.7
111.00851	1.0
113.02435	1.5
118.96626	4.2
119.03491	1.1
124.01700	0.9
125.02462	2.3
126.02781	1.0
128.39728	0.8
130.42279	0.8
132.98213	1.4
134.59938	0.8
140.07201	2.7
149.99568	1.5
151.00031	0.9
155.74182	0.8
156.98206	2.4
158.99734	2.7
160.04041	22.3
160.97716	2.4
161.04498	1.1
162.05588	0.9
168.00668	5.2
169.01003	2.2
170.99776	2.0
177.00810	1.7
182.99728	1.3
186.99297	0.8
198.99385	2.2
201.00781	0.9
204.03084	1.1
214.99051	2.2
215.99779	16.1
217.00249	2.2
223.08194	1.7
229.00290	1.6
230.98523	2.7
233.00133	3.1
241.97690	14.9
243.01880	1.1
243.99417	1.0
258.00867	1.4
258.04507	0.8
258.97919	2.3
259.01343	4.4
259.98776	55.8
260.99109	2.2
261.02853	4.4
273.96716	78.4
274.97043	4.4
283.98761	4.8
286.00302	1.5
290.96869	1.0
300.05688	1.0
300.99033	3.3
301.99817	7.0
302.06668	1.2
303.04016	16.2
303.97693	3.3
313.99817	3.1
321.05069	15.4
323.00974	1.0
356.01031	1.7
363.06122	2.9
366.08295	6.8
367.12561	1.6
386.01782	3.6
404.03009	100.0
405.03333	6.5
427.18100	1.0
464.10928	4.7
464.17230	1.1
464.23529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17392	1.6
57.03446	4.5
59.01385	45.4
61.98835	100.0
62.75654	1.8
66.90395	1.7
69.17793	12.0
71.01391	26.7
72.99310	4.1
73.02979	9.3
82.95397	1.8
83.01385	2.7
85.02954	9.4
85.05785	1.8
87.00876	7.7
89.02448	22.5
94.21561	1.7
97.02889	1.7
99.00890	5.6
99.04530	4.4
100.01659	2.9
101.02462	14.4
111.00905	9.5
113.02447	13.7
119.03451	3.1
122.02569	2.2
123.03293	10.5
125.02455	2.7
131.03532	2.4
135.06612	2.0
144.60699	1.6
145.05083	8.8
149.04544	5.5
160.04056	3.6
161.04526	6.7
162.14789	1.6
167.07129	2.0
167.10756	3.5
169.02719	2.8
170.00919	2.6
171.04366	2.5
183.00624	7.2
186.05629	2.4
191.05527	3.3
199.03772	3.3
202.05339	2.3
212.03453	3.7
214.04993	5.1
230.04610	4.2
233.06662	5.5
240.03053	25.6
243.05431	9.2
258.04074	23.4
258.07632	14.0
272.09210	3.5
285.13391	10.0
294.09656	9.4
302.10718	2.2
309.08221	6.2
332.17798	3.0
333.15701	2.0
345.05887	12.0
358.12860	2.5
362.05899	2.8
405.21115	3.5
463.22086	3.1
464.07312	14.8
464.17673	3.8
464.22314	8.4
465.08414	3.0
465.19540	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	464.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.3
57.03444	7.0
59.01381	70.4
60.01706	2.1
61.98829	4.6
69.03454	3.5
69.20158	10.3
70.15820	1.5
71.01385	51.2
72.31483	1.6
73.02953	17.0
75.00868	2.5
75.68862	1.6
83.01391	6.5
85.02951	20.5
86.03300	2.1
87.00885	3.1
89.02454	22.4
89.30361	1.6
95.01397	4.0
97.02940	4.3
98.22626	3.9
99.00894	12.1
101.02446	38.1
102.02790	3.8
107.01380	2.0
111.00876	2.3
113.02459	22.5
117.01927	2.0
119.03510	5.6
119.05037	17.2
120.84251	1.6
122.02544	2.4
123.04566	2.1
125.02444	15.3
131.03548	3.7
133.01695	6.9
134.02489	100.0
135.02797	3.2
137.02480	2.1
143.03508	3.4
148.00476	1.8
149.01202	2.3
149.04565	4.7
151.00406	3.3
152.01193	2.0
161.04581	18.3
162.04898	2.8
163.03984	11.9
166.01468	3.1
175.03952	2.6
177.01886	3.1
179.05632	2.6
180.03041	19.7
191.05627	3.2
202.35461	1.7
202.63127	1.6
204.63139	1.7
209.11856	3.9
210.12389	1.8
212.03589	3.8
213.01723	1.7
213.04317	4.8
214.02727	2.1
241.01454	3.4
241.03772	21.4
241.09891	1.5
242.02126	1.9
256.06195	5.0
270.04092	3.4
284.01801	3.0
285.02737	10.2
285.12439	3.1
300.05133	37.6
303.05148	7.9
316.04617	4.0
321.15515	24.4
331.07101	3.3
331.17719	8.2
332.07776	69.0
332.17978	6.9
333.07813	3.7
404.19843	2.6
463.21597	11.5
464.09470	2.8
464.22214	32.4
465.10349	7.5
465.21124	3.7
465.27014	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	464.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01386	15.7
60.01694	1.0
61.98817	0.7
62.94659	0.4
66.20899	0.4
69.03437	0.7
69.19977	2.3
71.01391	12.1
72.01717	1.2
72.99302	0.4
73.02941	4.8
74.03278	0.6
78.74384	0.5
81.03463	0.6
81.07071	0.5
82.07282	0.5
83.01379	1.3
85.02947	3.0
86.00101	0.9
86.03249	0.7
86.63875	0.5
87.00885	0.8
89.02453	13.5
90.02794	1.1
93.03426	1.0
93.24011	0.5
94.02949	1.0
95.01380	1.1
97.02932	0.7
98.22683	0.9
99.00902	4.4
99.04525	0.6
100.01215	0.6
101.02450	8.9
102.02772	0.8
107.01379	1.8
113.02461	4.0
114.02824	0.8
115.03994	0.8
118.02999	27.9
119.03478	2.1
119.04993	0.6
120.00932	0.5
121.01714	1.6
122.02503	6.2
123.03282	0.6
124.01691	0.7
124.04043	1.2
125.02444	1.6
131.03497	2.0
134.02399	0.6
136.04050	1.0
137.02454	0.6
143.03494	0.7
149.01202	4.6
149.04562	5.1
150.01988	15.0
150.04866	1.1
159.06625	0.7
161.04558	3.0
163.04106	0.5
170.06119	4.0
179.05690	0.6
182.04564	3.9
182.06039	1.2
191.05630	2.8
192.05840	0.6
194.36885	0.5
197.04811	1.1
198.03368	3.6
198.05612	6.4
199.04152	0.8
199.05934	0.8
204.77011	0.5
208.04099	0.9
209.04808	1.9
209.11859	0.8
210.12151	0.7
224.03520	0.5
225.04305	8.4
226.05101	60.5
227.03476	1.4
227.05472	2.6
242.04517	0.8
244.06160	1.0
269.03378	4.6
270.04092	100.0
271.04465	5.3
302.06732	38.8
303.07031	3.0
331.17764	1.0
332.18036	1.3
333.19058	0.7
381.14163	1.0
382.14481	0.8
432.09375	35.8
433.09717	3.1
463.21744	1.1
464.12036	24.5
464.21683	4.5
465.12488	2.2
465.23236	1.8
474.90253	0.5
483.80908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94322	1.0
55.01892	1.3
57.03442	3.7
59.01387	35.4
60.01689	1.1
60.73406	0.8
61.98824	2.9
69.03469	8.0
69.46246	2.2
69.46639	1.7
71.01389	21.1
72.01714	1.4
73.02954	8.8
78.03495	1.8
79.01897	2.7
79.55024	0.9
81.03496	1.1
83.01397	3.9
85.02966	8.2
87.00901	1.3
89.02451	20.4
93.03474	1.0
95.01408	2.2
97.02973	4.3
99.00881	6.8
99.04505	2.6
101.02454	18.7
102.02799	1.0
106.02985	10.2
107.01418	7.6
109.02969	3.0
113.02467	7.7
118.02976	1.7
119.03534	4.3
121.03014	1.1
123.00925	1.3
125.02454	8.2
131.03528	3.6
133.01706	40.3
134.02499	41.0
134.03535	2.1
135.00908	12.8
135.02870	1.6
143.03526	1.0
145.03014	2.0
147.03310	1.0
149.04619	6.4
150.01984	21.6
150.04849	1.6
151.02739	2.0
151.04022	1.3
159.03004	1.7
161.04601	5.9
163.04057	1.6
165.04320	30.9
166.05112	9.3
175.03979	1.0
177.00613	1.2
179.05577	1.5
191.05647	2.9
192.02956	5.2
197.04810	1.3
198.05539	1.4
209.11836	5.5
210.12198	2.8
225.04341	10.9
226.02916	1.4
226.05119	9.3
227.03543	3.4
242.04553	1.6
243.05373	3.5
245.56389	1.2
255.02783	1.1
269.03323	51.2
270.04099	83.7
271.04504	4.0
284.05685	10.6
285.55374	1.1
293.09088	1.0
301.02582	1.1
301.05957	29.9
302.06717	100.0
303.06967	7.3
332.17761	1.3
333.19174	13.2
432.09378	51.4
433.09756	5.0
463.26114	6.0
464.12070	40.6
464.26511	7.0
465.12595	3.2
465.23080	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	464.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14199	0.3
59.01355	0.7
59.53343	0.2
61.98817	1.1
62.68470	0.3
70.43376	0.4
85.20856	0.3
94.03006	0.5
118.02209	0.4
118.02993	4.6
122.02495	5.4
123.00896	0.7
131.05046	0.3
134.02486	0.5
142.36729	0.2
150.01982	15.4
151.02675	0.4
166.01468	0.5
170.06137	3.9
180.03023	0.3
181.03835	0.9
182.04614	5.0
182.06122	0.9
184.04156	0.3
194.18750	0.3
196.03967	0.4
197.04816	1.2
198.05630	8.2
208.04083	1.3
209.04823	2.5
224.03470	0.3
225.04323	5.4
226.05112	69.2
227.03484	0.8
227.05452	3.2
257.87341	0.3
269.03427	0.4
270.04092	100.0
271.04474	6.5
302.06723	85.0
303.07101	5.3
345.33835	0.3
464.11914	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	464.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
60.76260	0.3
61.98838	0.5
63.49519	0.3
69.44009	1.6
88.50227	0.3
95.01406	0.4
108.08686	0.3
118.03008	3.2
122.02480	5.7
123.00916	0.7
131.05038	0.3
134.02477	0.8
143.64851	0.3
150.01984	18.6
151.02577	0.6
166.01436	1.2
170.06136	3.9
180.03127	0.5
181.03865	2.1
182.04593	12.1
182.05994	0.6
183.04962	0.4
197.04845	1.4
198.03326	0.6
198.05632	6.5
200.87810	0.3
208.04053	0.4
209.04874	1.9
213.04291	0.5
224.03526	0.4
225.04341	4.2
226.05115	56.6
227.03482	0.7
227.05450	4.0
241.03912	1.8
265.33258	0.4
269.03336	3.7
270.04099	100.0
271.04453	6.0
281.40701	0.4
301.06076	0.4
302.06726	48.1
303.07068	3.0
344.09869	2.9
352.20718	0.4
432.09332	5.2
433.09741	0.8
464.11981	30.2
465.12271	3.1
465.17960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01381	2.4
61.98835	100.0
69.26235	1.8
71.01395	1.2
73.02946	0.5
77.26720	0.3
85.02938	0.6
89.02473	1.1
99.11929	0.3
101.02476	1.1
113.02445	0.5
123.03264	0.7
160.04140	0.5
161.04764	1.1
162.05191	0.5
191.05681	0.4
243.05408	0.6
258.07779	0.9
283.11023	0.5
284.11264	1.2
333.15677	0.4
409.55084	0.3
465.19791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	29.9
58.00587	1.9
59.01386	19.3
61.98838	20.4
71.01403	5.8
73.02940	4.1
75.00891	1.7
83.01373	1.0
85.02961	2.6
89.02439	7.8
90.02830	1.1
99.00892	1.8
99.04533	21.8
101.02460	11.8
110.02573	1.0
113.02471	2.9
115.56584	0.9
119.03519	1.9
123.04545	1.5
125.02460	12.0
140.07193	100.0
141.07498	2.4
143.03523	1.8
146.06223	1.4
149.04529	1.2
153.04332	7.3
154.07704	1.0
154.08737	6.3
161.04601	12.0
162.05150	2.2
167.05922	3.3
179.05666	1.6
182.08247	23.8
182.09776	1.6
183.00668	1.1
191.05652	1.6
200.09367	4.8
222.52196	0.8
247.40817	1.0
270.03998	1.0
272.14813	1.7
283.10782	1.5
284.11322	7.4
294.09473	1.8
302.12552	6.8
309.30176	0.9
320.13568	1.9
330.15274	2.0
342.15646	1.0
344.13660	2.6
373.13953	1.5
374.10120	1.2
374.14417	12.3
375.14752	1.2
386.14526	1.1
404.15311	1.2
446.16553	5.0
464.11786	1.7
464.17261	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	464.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
56.88132	0.2
57.03440	0.6
59.01384	13.5
61.91563	0.2
61.98837	5.7
63.08168	0.2
69.03464	0.2
69.20768	0.3
69.21176	0.9
71.01390	9.1
73.02959	1.7
79.72629	0.2
81.03471	0.4
81.36860	0.2
83.01380	0.8
85.02964	2.1
85.40714	0.2
87.00885	0.8
89.02453	10.7
95.01385	0.6
96.96008	0.2
97.02953	0.7
99.00887	0.7
101.02454	8.2
102.02822	0.2
110.02487	0.3
111.00819	0.3
113.02463	4.2
116.92929	0.2
119.02652	0.3
119.03518	5.9
125.02463	3.8
131.03510	1.1
136.01622	0.2
136.07663	0.3
138.05602	0.2
139.04033	0.3
140.07191	100.0
141.07545	2.7
143.03523	1.7
149.02577	0.2
149.04596	0.5
151.15878	0.2
152.07179	0.2
159.03029	0.3
161.04567	2.8
166.05164	1.2
167.03494	0.3
179.05646	2.8
182.08246	0.7
221.06667	3.4
242.08275	0.2
245.06680	0.6
263.07733	1.2
270.08749	0.2
302.12552	0.6
323.09830	3.5
405.21158	0.3
464.17319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79858	0.6
56.66285	0.7
57.69905	0.6
59.01393	1.3
60.27691	0.6
61.98836	100.0
69.07661	3.2
69.08070	1.2
71.62511	0.6
78.95917	2.5
87.00903	2.1
98.21893	1.4
136.98990	0.6
147.08209	0.6
152.99611	2.1
165.54842	0.6
173.06110	0.8
176.06578	0.6
267.65491	0.7
442.80405	0.8
447.17029	1.4
465.17706	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	465.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.4
59.01382	33.9
61.98830	4.6
61.99501	1.4
69.41682	1.4
71.01389	29.0
73.02951	4.4
80.91685	2.4
83.01403	2.7
85.02958	4.0
87.02010	1.3
89.02450	6.6
90.97148	2.8
96.96018	60.4
99.00892	3.2
99.04541	13.1
101.02448	9.8
111.00906	2.5
113.02489	3.2
116.98700	3.3
118.96642	21.3
125.02441	6.2
129.88631	1.5
132.98212	10.5
140.98709	4.1
143.03522	1.8
147.06676	1.8
149.04559	2.0
156.98224	18.3
158.99779	18.4
160.04045	2.7
160.97705	17.2
161.04515	3.5
162.38841	1.6
168.98180	3.6
170.99753	12.2
174.99275	2.5
177.00818	11.6
182.99780	11.5
184.97696	2.6
185.01358	2.0
186.99269	5.1
189.00819	5.4
198.99245	14.5
201.00790	6.0
202.98769	2.1
210.99171	6.9
214.98688	3.0
215.99730	2.3
217.00250	4.9
223.08220	9.1
227.99614	2.8
229.00314	7.7
231.01888	1.7
242.98003	1.7
243.01917	3.4
259.01355	28.0
259.98804	2.7
260.01968	1.5
260.99210	8.2
261.02921	22.9
265.09265	4.8
273.96722	7.2
274.97131	8.0
274.99686	1.5
279.03989	1.7
301.14606	1.6
303.03998	100.0
304.04385	4.1
305.02057	1.8
321.05054	95.3
322.05560	2.7
326.05432	1.8
363.06125	25.7
367.12543	7.6
404.03110	2.3
405.03412	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	465.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
58.00593	1.5
59.01385	100.0
60.01718	1.0
61.98839	5.3
69.62252	2.6
69.62599	1.5
71.01389	51.1
72.01720	1.1
72.99342	1.2
73.02956	17.7
78.95921	2.4
83.01380	2.3
85.02970	5.7
87.00925	1.8
89.02451	98.5
90.02811	1.3
90.71571	0.7
93.03495	1.0
94.44050	0.8
95.01370	0.9
96.96004	2.3
96.96948	4.2
97.02959	1.3
99.00890	24.1
99.04522	2.2
99.92599	1.9
100.01263	1.1
101.02451	35.0
107.01432	0.9
109.02953	0.7
113.02476	10.2
114.02921	0.9
115.04003	1.0
116.92863	11.6
117.92911	1.0
119.03503	5.7
125.02462	14.2
131.03514	18.2
137.02411	1.2
139.03999	1.0
140.07179	1.0
143.03506	3.3
149.02521	2.6
149.04568	64.7
150.04880	1.6
151.00426	2.2
152.09059	0.9
153.01926	3.2
160.04056	1.4
161.04564	5.3
175.03989	0.8
177.01927	2.0
178.99876	2.2
179.05637	3.7
181.01454	0.9
191.05634	14.7
201.39732	0.7
221.06694	2.8
251.07703	3.1
259.10748	1.3
275.05728	2.2
284.12390	0.9
285.04080	3.6
285.12851	1.1
293.08752	0.8
299.05792	1.1
303.05142	6.4
333.15555	1.3
341.05234	1.2
405.21362	6.4
465.06750	1.6
465.19397	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	465.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29408	0.6
55.01864	0.7
58.00597	1.6
59.01383	93.4
61.75463	0.7
61.98831	1.7
66.03152	0.6
68.58367	0.6
69.00398	0.6
69.47034	3.0
71.01385	48.2
73.02950	19.9
78.95908	4.7
83.01399	1.7
85.02956	6.0
87.00877	1.4
89.02449	100.0
96.96008	2.5
96.96966	6.2
97.02956	1.8
99.00883	24.3
99.01534	1.3
99.04519	1.3
101.02451	38.9
110.18319	0.7
111.00910	1.0
113.02456	8.7
115.04020	1.0
119.03512	4.8
125.02474	4.8
128.03558	0.9
131.03505	16.5
139.03969	1.3
141.21307	0.8
143.03484	2.4
143.04547	1.5
149.04564	58.7
150.04929	1.1
154.05275	0.7
161.04510	3.1
179.05603	1.5
191.05623	13.2
221.06598	2.5
229.41824	0.7
233.06506	0.8
251.07666	4.3
285.04163	1.1
285.13254	2.1
293.08771	0.9
328.32587	0.8
333.08167	0.8
405.21393	4.8
465.13330	1.6
465.19366	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	465.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42602	0.5
54.23879	0.5
57.46434	0.5
59.01384	0.7
60.33833	0.4
61.98862	0.5
67.01901	7.7
69.83752	1.6
72.46782	0.4
83.01399	1.2
85.02963	12.1
90.74467	0.6
93.49679	0.5
95.63649	0.4
96.96049	0.5
111.00893	100.0
112.01218	1.7
118.34198	0.5
129.01941	2.7
149.06064	0.4
151.11449	0.5
153.12900	1.1
154.99867	1.8
155.10872	0.6
157.01431	0.5
158.84529	0.5
179.10857	0.9
181.12323	0.8
197.11859	1.4
231.52827	0.5
247.20738	0.6
265.69949	0.6
291.19687	6.0
292.20026	0.6
309.20743	23.7
310.21051	1.5
315.23239	1.2
359.22235	1.9
383.08032	0.9
421.22366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.01385	100.0
60.01764	1.8
67.44553	1.4
68.56086	1.3
71.01386	40.5
71.24332	1.9
73.02952	10.8
78.95930	3.3
79.55681	1.5
83.01395	1.7
83.05025	1.8
85.02973	6.5
89.02454	62.7
95.01394	2.0
96.96016	5.9
96.96946	6.9
99.00900	12.8
99.04496	1.7
101.02451	26.2
113.02455	12.3
119.03509	12.8
125.02473	3.1
131.03493	7.6
134.07416	1.5
142.31346	1.4
143.03542	2.2
149.04578	18.9
149.09735	14.5
161.04568	5.8
167.10799	25.9
167.12099	2.5
179.05638	9.2
191.05605	5.1
211.42639	1.5
224.56697	1.5
225.14940	3.4
243.15993	2.3
251.07869	1.6
333.08701	2.6
352.46841	1.6
371.83932	1.6
405.21298	23.0
465.12808	3.8
465.19897	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	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03451	5.5
58.00607	0.7
59.01386	100.0
60.01713	1.1
66.91475	0.5
69.04259	2.6
69.04668	0.9
71.01390	23.8
73.02943	3.3
78.95917	3.8
82.84512	0.5
83.01414	1.2
83.05042	0.9
85.02947	4.5
86.10314	0.5
87.00900	1.5
89.02456	29.9
90.97198	0.5
95.01428	1.6
96.96037	7.7
96.96965	6.8
97.02926	0.6
99.00916	2.4
99.04510	0.7
101.02453	14.5
101.03104	0.9
109.06614	1.3
111.00892	1.0
113.02460	8.9
115.04040	0.8
118.96632	0.6
119.03513	10.5
120.03849	0.5
123.08209	0.7
125.02470	1.7
131.03523	2.4
134.07381	1.3
135.08188	1.8
137.09763	0.9
139.07722	1.0
143.03528	3.0
149.04591	3.7
149.09738	9.8
150.10159	0.7
153.09244	4.8
156.98297	0.6
159.03093	0.6
160.97696	0.8
161.04584	7.2
167.07181	0.6
167.10785	22.4
170.99855	1.0
179.05627	8.2
191.05759	1.1
191.63196	0.5
198.99243	0.7
207.13943	0.9
221.06448	0.6
225.14920	4.1
233.06662	0.8
243.16023	3.5
245.45399	0.6
259.01437	0.7
285.13052	1.9
293.08939	2.1
333.08850	1.4
353.10779	0.6
405.21326	17.6
405.26700	0.9
406.21851	1.9
465.13165	2.2
465.19876	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.9
57.03456	8.7
58.00579	1.4
59.01387	100.0
60.01699	1.0
61.98812	2.8
69.03439	2.8
71.01392	86.2
72.99286	1.8
73.02957	31.6
74.03343	0.8
74.88462	0.8
75.00868	1.9
81.03444	1.5
83.01007	0.9
83.01395	10.1
85.02961	30.8
87.00899	5.8
88.15491	0.8
89.02456	50.0
90.02769	1.1
90.98647	0.9
93.03481	1.0
95.01397	4.9
97.02956	4.2
97.28645	1.0
99.00893	15.4
99.04544	4.8
101.02456	61.2
111.00894	1.6
113.02461	28.1
114.02772	0.9
115.03989	2.3
119.03506	13.2
119.04944	0.9
125.02464	7.5
129.01900	0.8
129.22205	0.9
131.03520	7.3
133.01695	1.7
134.02473	1.9
135.02855	2.0
136.36748	0.9
143.03525	6.9
149.04576	10.2
155.64815	0.8
159.03036	3.8
161.04578	28.7
162.04799	0.8
171.13835	2.3
175.03920	1.4
179.05577	3.1
191.05621	4.7
208.45419	0.8
209.11740	0.9
211.11949	0.8
233.06737	4.3
253.97675	0.8
268.03683	0.8
270.03769	3.5
271.04398	4.3
281.10571	0.8
293.08667	1.3
302.06305	3.7
303.06836	3.9
303.21564	1.1
333.19235	73.0
334.19553	4.8
368.85281	0.9
433.09311	2.5
447.26004	1.8
465.12134	2.3
465.23138	80.2
466.23300	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	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	5.5
56.09169	0.8
57.03453	19.4
58.00611	1.4
59.01385	100.0
60.01724	1.0
61.98833	2.9
67.74718	0.8
68.42099	0.9
69.03466	1.6
69.35404	4.0
71.01389	68.7
72.01738	0.8
72.99316	1.1
73.02953	27.7
75.00861	1.2
81.03461	1.7
83.01397	8.8
85.02959	25.7
87.00869	3.7
87.04525	2.7
89.02449	56.1
95.01397	5.3
97.02942	3.9
98.21935	1.3
99.00895	14.0
99.04531	15.1
101.02450	61.4
102.02796	1.3
108.81655	0.8
111.00875	1.3
113.02451	28.3
115.04038	1.8
119.03503	12.2
119.04926	0.9
123.04515	0.8
125.02467	10.9
129.01956	1.5
131.03496	5.9
143.03510	4.0
149.04576	12.4
153.01836	0.8
159.02982	3.5
159.10243	2.1
161.04565	25.1
162.04843	0.9
171.13881	2.4
179.05600	3.0
191.05576	3.8
229.13383	0.8
233.06680	3.9
258.01495	1.3
293.08783	1.8
302.00613	0.9
303.21909	1.1
321.19324	3.7
333.19189	53.6
334.19553	4.4
465.23108	66.4
466.09558	0.8
466.23489	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29795	0.9
57.03441	2.2
58.00602	1.0
59.01383	87.9
60.01712	0.8
66.99979	0.9
71.01385	47.9
72.99290	1.3
73.02951	20.1
73.03365	1.0
75.81561	0.8
83.01405	1.9
83.56845	0.7
85.02962	6.3
86.74976	0.8
89.02452	100.0
90.02782	1.7
97.02944	2.2
98.22721	1.7
99.00886	29.2
100.32916	0.7
101.02451	41.0
113.02472	8.4
115.04021	1.0
119.03505	2.0
120.22552	0.9
125.02448	3.6
131.03517	17.6
143.03523	2.6
149.04565	54.1
150.04893	1.0
150.38942	0.8
160.07663	0.8
161.04500	5.3
191.05627	15.9
220.84174	0.8
221.06694	2.3
223.64415	0.7
251.07790	1.9
328.21490	0.8
439.07312	0.9
465.27094	27.9
466.27524	1.4
483.75839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55090	0.9
57.03455	4.3
59.01382	100.0
61.98827	4.0
69.56949	2.5
71.01382	18.8
85.02939	3.2
89.02450	33.4
95.01391	1.1
101.02457	8.3
112.05257	0.9
113.02456	10.7
119.03504	13.4
131.03523	1.4
133.25786	0.9
134.07439	1.3
140.07156	1.3
143.03482	4.0
149.04610	1.2
149.09737	17.3
161.04564	4.2
167.10779	31.9
179.05627	14.2
182.14044	1.0
223.19125	0.9
225.14897	4.4
308.82974	0.8
405.21158	11.3
406.21500	1.4
472.76819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.1
57.03453	4.5
58.00607	1.5
59.01385	91.5
61.76152	1.4
61.98839	3.4
71.01388	48.8
72.01694	1.7
73.02955	25.8
79.57841	1.4
83.01402	4.5
85.02967	11.2
87.00877	4.5
89.02453	100.0
92.86044	1.6
97.02968	3.8
99.00887	26.6
99.04545	3.6
101.02453	42.2
102.09929	1.7
110.00240	1.6
111.00932	1.5
113.02476	13.4
119.03526	4.5
125.02469	5.0
131.03503	16.5
143.03465	1.9
149.04564	50.5
157.06581	1.8
161.04562	4.9
191.05638	13.1
221.06715	2.7
243.10356	1.5
251.07574	1.4
257.21072	1.5
287.16962	1.7
315.16125	1.8
321.24274	3.3
363.25565	2.7
447.16602	4.0
462.41519	1.7
465.17596	5.5
465.27185	41.1
466.18359	1.9
466.27365	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	465.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.2
59.01388	100.0
61.98833	22.7
69.06770	20.3
71.01389	27.9
73.02953	5.7
85.02978	9.6
89.02448	35.5
92.70116	3.3
99.04504	8.4
101.02446	17.1
104.55894	3.5
113.02440	13.9
119.03479	8.2
131.03458	5.0
145.05096	8.5
149.09763	8.5
156.02420	3.3
161.04597	4.7
167.07118	6.2
167.10794	9.2
170.98531	3.6
176.71159	3.5
179.05588	5.3
186.67296	3.4
191.05551	4.1
193.43272	3.5
207.10258	4.4
285.13452	20.8
295.33942	3.4
404.24200	4.2
405.21332	12.0
422.27740	6.0
465.08490	4.2
465.19226	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	465.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36823	2.9
59.01388	100.0
60.01732	3.7
61.98834	30.6
71.01398	36.5
73.02962	9.9
75.00900	3.3
82.95438	4.1
85.02940	10.5
87.00885	6.7
89.02460	48.0
96.95967	4.7
99.00880	7.7
101.02481	27.7
111.00916	3.9
113.02472	21.5
116.92889	5.6
119.03523	21.6
120.39282	3.3
124.14861	3.1
125.02419	4.9
126.48670	3.2
130.82640	3.7
136.01639	7.1
140.07188	52.6
140.23708	3.7
141.07549	31.1
143.03522	6.5
149.04541	10.4
151.04010	9.6
161.04610	12.6
167.10851	6.4
179.05641	12.1
191.05646	4.9
290.43466	3.4
324.10052	4.9
405.21524	19.7
465.19821	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	465.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
56.36760	0.3
57.03455	6.3
59.01386	31.9
60.01728	0.5
60.34125	0.4
61.98832	4.0
64.54844	0.4
69.03467	0.4
69.37532	1.1
69.37930	1.1
71.01389	14.9
72.94216	0.4
72.99314	1.4
73.02955	5.5
75.00875	0.5
83.01390	3.5
85.02961	7.2
86.00121	0.7
87.00884	2.3
89.02454	7.4
91.30282	0.4
95.01412	1.3
97.02969	1.0
99.00893	2.2
99.04530	5.1
101.02457	13.4
111.00867	0.7
111.35326	0.4
113.02452	5.2
113.06107	1.0
119.03504	1.3
125.02470	1.6
125.40663	0.4
129.02005	0.4
129.09296	0.6
131.03545	1.0
149.04561	1.9
161.04607	1.7
191.05655	1.0
237.18639	0.7
257.21307	2.1
271.13480	0.6
278.76929	0.4
285.20847	1.9
293.09018	0.5
303.21823	6.2
321.19312	1.1
333.19174	1.6
345.22751	0.6
379.49673	0.5
447.16727	1.2
447.26022	3.1
465.27109	100.0
466.27484	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	465.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57016	0.5
55.01876	2.0
57.03450	4.9
59.01384	27.6
61.01823	0.4
61.98830	2.8
62.45257	0.4
71.01385	14.8
72.99320	1.0
73.02946	6.7
83.01398	4.2
85.02961	7.7
86.00116	0.8
87.00887	1.6
89.02455	7.2
92.36661	0.5
93.03443	0.7
95.01390	1.3
97.02979	0.8
99.00894	2.4
99.04538	2.8
101.02449	13.1
102.02774	0.8
111.00872	1.0
113.02460	4.9
113.65025	0.5
119.03521	1.6
119.04964	0.6
121.02928	0.5
122.02542	0.6
125.02458	1.4
131.03517	0.5
134.02504	0.6
135.04489	0.6
149.04562	0.7
156.32574	0.4
161.04572	1.8
175.03908	0.6
176.18089	0.5
191.05594	0.8
204.29089	0.6
212.15263	0.5
215.05301	0.9
221.00580	0.5
226.05122	0.7
227.05400	1.2
257.21228	1.9
270.04022	1.3
271.04456	2.6
271.13388	0.7
285.20798	1.4
302.06824	0.7
303.07010	1.5
303.21719	5.4
321.19263	1.4
333.19177	1.7
422.21292	0.5
447.16730	0.8
447.26208	2.0
465.27112	100.0
466.27539	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	466.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03455	100.0
58.03793	1.5
59.01385	95.1
60.01708	3.4
61.20389	1.5
61.98837	11.0
67.01884	1.3
69.03467	2.1
71.01021	2.7
71.01392	44.0
72.01700	1.7
73.02949	19.0
81.03465	3.1
83.01403	5.8
85.02965	25.0
87.00879	5.0
87.04490	1.3
89.02454	37.1
93.03463	11.1
95.01369	2.7
97.02946	1.5
97.06522	1.3
99.00899	4.1
99.04528	57.1
100.04873	1.6
101.02453	59.5
102.02784	2.4
111.00854	1.9
111.04453	1.7
113.02465	22.1
114.02695	2.0
119.03525	11.7
123.04520	1.8
125.01646	2.0
125.02467	22.8
131.03496	1.9
132.85109	1.5
134.03726	5.9
135.04514	2.2
142.06668	3.2
143.03508	5.1
143.10809	1.9
149.04472	2.5
160.07666	4.7
161.04536	9.5
165.05656	1.7
173.04584	14.0
177.01952	1.7
178.02644	3.0
179.05562	2.9
191.01999	2.5
191.05634	24.0
209.03020	1.9
257.08066	1.7
293.10321	1.8
304.11981	19.6
305.12326	2.4
322.12985	58.1
323.13342	4.3
333.18802	1.6
334.19476	3.1
335.20850	3.0
347.04309	1.7
364.14069	14.9
386.39536	1.6
404.17023	3.9
448.26517	1.9
449.14432	5.4
465.27133	8.7
466.17160	4.3
466.27832	19.8
467.15662	4.6
467.25079	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	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.7
59.01384	39.7
60.01719	2.1
60.80358	0.6
61.01799	0.7
61.03341	0.7
61.98835	100.0
70.32056	0.6
71.01388	9.0
71.40917	0.6
72.01720	1.4
72.31071	0.6
73.02935	0.9
75.20580	0.6
85.02963	2.1
87.00900	0.9
89.02450	11.6
89.02963	0.6
90.02800	1.5
96.96006	1.1
101.02454	6.4
102.02788	0.9
106.58080	0.6
108.02090	0.6
113.02480	3.0
114.02806	1.4
119.03526	4.7
120.03807	0.8
125.02425	1.0
131.03539	0.7
137.02444	0.7
140.07184	1.5
141.07513	0.8
149.04556	1.6
149.09702	3.7
150.10092	1.8
161.04597	1.6
167.10771	6.7
168.11102	4.3
179.05602	3.7
180.06012	1.3
225.15036	1.1
226.15416	1.1
242.05957	1.2
257.08270	1.1
406.21671	4.0
466.13669	0.8
467.17325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72769	1.4
59.01384	100.0
61.98829	5.7
63.97425	1.3
68.89341	1.5
69.24018	1.4
71.01382	5.4
71.42654	1.7
79.22487	1.3
81.01411	1.4
82.95378	1.8
85.02935	1.8
89.02432	3.4
93.03464	5.3
99.00832	2.0
101.02443	2.4
137.02477	9.3
146.83768	1.5
160.04001	3.7
161.04579	2.4
166.77290	1.5
231.29109	1.4
270.94858	1.5
327.35260	1.6
346.20453	3.3
362.19684	4.4
364.21442	12.4
388.21326	3.2
404.21133	2.2
406.03784	2.2
406.22330	32.5
407.22836	2.8
415.52313	1.6
431.11948	3.6
467.11377	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	467.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
57.03456	45.8
59.01387	100.0
61.98836	9.3
69.36063	9.1
71.01388	43.4
73.02957	22.1
76.77111	1.6
78.91896	6.5
83.01389	3.9
84.95113	2.1
85.02959	22.9
87.00875	5.9
89.02454	36.1
93.03463	12.0
95.01408	3.4
99.00884	23.2
99.04538	36.1
101.02452	41.2
113.02454	15.9
117.01946	20.8
118.98135	2.1
119.03507	16.0
125.02457	15.1
128.93721	1.9
131.03564	2.5
132.06842	1.9
133.28505	1.9
143.03528	5.3
146.03828	2.5
149.04570	4.6
160.04082	13.7
161.04532	12.2
161.11858	3.1
173.04565	10.5
175.07576	2.8
176.04729	2.7
177.09222	3.5
179.05551	2.4
187.07547	1.8
189.13924	1.9
191.05643	43.3
205.08702	3.9
205.14423	3.5
249.11330	7.5
275.09421	2.0
277.28235	1.9
305.16083	6.3
323.17105	27.1
335.16714	4.1
365.18253	6.1
367.19772	99.8
368.19971	8.5
368.24060	2.1
407.23264	2.0
467.15076	16.0
467.21509	18.5
468.15155	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	467.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
57.03453	13.5
59.01388	77.4
61.98828	7.2
67.01900	1.7
69.17878	9.5
71.01390	41.4
72.01723	1.6
72.99312	1.9
73.02964	12.8
83.01397	3.3
85.02964	22.7
87.00882	7.0
87.04533	2.4
89.02453	33.5
93.03474	14.0
95.01388	4.2
99.00895	15.5
99.04538	9.3
101.02453	25.4
108.02187	22.3
111.04535	2.3
113.02464	14.7
114.05593	3.5
117.01955	14.2
119.03558	12.0
119.05074	1.6
123.04527	7.1
125.02454	6.5
131.03490	2.7
133.28929	1.5
136.07675	1.7
137.02434	3.0
140.01176	4.4
143.03517	3.7
143.04927	1.7
148.34500	1.7
149.04601	2.9
152.01173	16.9
155.03485	9.2
157.06627	3.7
160.04056	4.6
161.04477	10.4
163.04010	2.4
167.03532	46.3
173.04572	13.1
175.07637	1.9
176.04782	2.1
177.09259	3.8
179.05684	2.9
187.07713	4.9
191.05655	76.0
192.06058	2.6
195.06662	3.1
203.07188	2.4
205.08702	2.2
205.14438	7.2
223.06076	1.6
228.04277	3.7
229.05078	5.0
231.10312	6.2
249.11359	7.6
261.07822	3.0
275.09253	4.7
305.16116	3.6
323.17059	5.5
350.57062	1.6
367.19754	100.0
368.20074	5.6
382.87769	1.8
391.10321	2.5
467.15707	30.0
467.21835	6.8
467.26315	1.9
468.15479	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	467.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78965	4.0
55.38853	4.2
56.33612	4.8
57.35689	4.2
59.01376	7.8
59.45990	3.7
61.98815	4.4
69.08681	31.0
71.01385	5.3
72.99310	11.8
75.00883	5.9
83.48289	4.4
94.67103	5.0
99.00900	5.8
111.00890	7.9
112.98817	6.0
135.02991	11.9
139.05234	4.2
142.99870	18.3
156.00661	7.7
173.00943	7.1
174.00200	5.7
174.01711	100.0
175.02368	8.1
192.03229	4.2
240.75880	4.3
293.21289	20.4
305.21231	11.0
345.20557	6.5
349.20004	12.9
382.13068	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	467.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.99873	0.8
69.87526	0.9
71.40189	1.3
72.98603	0.8
78.95909	15.2
96.96954	1.3
100.93379	2.0
115.92068	5.7
139.29269	0.8
152.99599	23.1
171.00613	2.8
223.60187	0.8
227.03296	4.1
239.20183	100.0
240.20511	5.7
245.04321	11.3
348.96375	0.9
467.24176	28.1
468.24548	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56433	1.6
70.87127	1.7
78.95435	2.5
78.95906	49.9
96.96956	6.0
98.22699	4.0
98.99687	1.8
152.98352	3.8
152.99599	71.0
171.00642	18.5
176.47397	1.8
199.13556	1.8
227.03290	7.1
239.20192	86.1
240.20503	6.1
245.04332	100.0
246.04649	3.3
467.24216	47.7
468.24673	2.3
494.07858	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	467.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42847	0.6
55.01884	4.7
57.03453	5.7
59.01383	78.1
61.98828	2.1
67.01897	1.0
69.03454	1.8
69.20722	3.5
71.01387	88.3
71.05030	0.6
72.01739	0.9
72.99320	2.1
73.02952	33.6
75.00890	2.1
81.03472	1.5
83.01395	10.4
84.02164	0.6
85.02956	32.7
87.00886	4.3
89.02450	47.9
90.02775	0.8
90.54878	0.5
93.03469	5.0
95.01392	5.9
97.02959	5.5
99.00885	20.8
99.04508	1.0
101.02449	66.8
102.02781	0.8
111.00910	1.5
113.02457	27.3
115.04037	4.9
116.01127	0.6
119.03517	7.7
125.02448	9.2
127.04030	1.0
127.11243	0.8
128.97757	0.7
129.01904	1.5
131.03519	6.6
134.03741	1.2
135.04536	0.7
137.02533	0.9
143.03490	5.3
149.04564	11.1
159.03023	5.6
161.04572	44.6
162.04941	1.1
173.04533	2.9
173.15498	2.7
176.32018	0.6
178.02705	0.7
179.05698	0.8
191.05644	11.6
209.45303	0.6
221.06793	0.6
233.06685	9.5
257.08325	0.8
293.08694	6.9
335.20764	45.7
336.21222	3.2
449.14520	1.9
467.24997	100.0
468.25302	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	467.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97715	0.7
53.94714	0.7
55.01888	4.5
56.49873	0.6
57.03461	7.4
58.00605	0.9
59.01386	58.1
60.01704	1.3
61.98840	4.5
64.46593	0.9
65.54987	0.9
67.01894	1.8
68.82732	0.7
69.03457	1.6
70.29321	0.9
71.01391	67.1
72.01750	1.0
72.99300	1.2
73.02957	29.4
75.00880	2.3
81.03471	0.8
83.01402	11.9
83.05032	1.2
85.02962	35.8
86.00116	1.8
87.00877	7.6
89.02458	22.7
93.03479	10.6
95.01402	5.0
97.02966	3.8
97.60421	0.7
98.21812	1.6
99.00894	12.2
99.04513	2.5
101.02452	56.0
102.02757	1.1
109.02971	3.1
111.00904	5.3
111.04521	1.7
113.02467	25.3
114.93474	0.9
115.04050	2.1
119.03512	3.3
125.01681	1.0
125.02456	5.7
129.01981	2.2
131.03528	6.5
134.03758	2.9
135.04532	2.1
136.01625	0.9
137.02458	3.0
141.01927	1.2
143.03510	3.4
143.05046	2.9
149.04587	3.7
155.03543	0.8
159.03004	6.0
161.04576	23.2
162.04869	0.8
169.39560	0.7
171.04579	1.2
173.04561	10.6
173.15440	1.5
178.02643	0.8
179.05640	2.0
191.01991	1.3
191.05634	26.6
192.05954	1.2
231.10248	1.0
233.06657	3.0
249.11389	2.9
257.08267	2.9
271.02594	2.1
275.09277	1.2
335.20779	68.7
336.21097	4.2
407.19302	0.9
407.28632	2.0
429.17725	0.8
449.14474	2.8
467.15692	4.9
467.24997	100.0
468.15506	0.8
468.25159	8.2
468.30780	1.2
493.54291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97715	0.7
53.94714	0.7
55.01888	4.5
56.49873	0.6
57.03461	7.4
58.00605	0.9
59.01386	58.1
60.01704	1.3
61.98840	4.5
64.46593	0.9
65.54987	0.9
67.01894	1.8
68.82732	0.7
69.03457	1.6
70.29321	0.9
71.01391	67.1
72.01750	1.0
72.99300	1.2
73.02957	29.4
75.00880	2.3
81.03471	0.8
83.01402	11.9
83.05032	1.2
85.02962	35.8
86.00116	1.8
87.00877	7.6
89.02458	22.7
93.03479	10.6
95.01402	5.0
97.02966	3.8
97.60421	0.7
98.21812	1.6
99.00894	12.2
99.04513	2.5
101.02452	56.0
102.02757	1.1
109.02971	3.1
111.00904	5.3
111.04521	1.7
113.02467	25.3
114.93474	0.9
115.04050	2.1
119.03512	3.3
125.01681	1.0
125.02456	5.7
129.01981	2.2
131.03528	6.5
134.03758	2.9
135.04532	2.1
136.01625	0.9
137.02458	3.0
141.01927	1.2
143.03510	3.4
143.05046	2.9
149.04587	3.7
155.03543	0.8
159.03004	6.0
161.04576	23.2
162.04869	0.8
169.39560	0.7
171.04579	1.2
173.04561	10.6
173.15440	1.5
178.02643	0.8
179.05640	2.0
191.01991	1.3
191.05634	26.6
192.05954	1.2
231.10248	1.0
233.06657	3.0
249.11389	2.9
257.08267	2.9
271.02594	2.1
275.09277	1.2
335.20779	68.7
336.21097	4.2
407.19302	0.9
407.28632	2.0
429.17725	0.8
449.14474	2.8
467.15692	4.9
467.24997	100.0
468.15506	0.8
468.25159	8.2
468.30780	1.2
493.54291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97715	0.7
53.94714	0.7
55.01888	4.5
56.49873	0.6
57.03461	7.4
58.00605	0.9
59.01386	58.1
60.01704	1.3
61.98840	4.5
64.46593	0.9
65.54987	0.9
67.01894	1.8
68.82732	0.7
69.03457	1.6
70.29321	0.9
71.01391	67.1
72.01750	1.0
72.99300	1.2
73.02957	29.4
75.00880	2.3
81.03471	0.8
83.01402	11.9
83.05032	1.2
85.02962	35.8
86.00116	1.8
87.00877	7.6
89.02458	22.7
93.03479	10.6
95.01402	5.0
97.02966	3.8
97.60421	0.7
98.21812	1.6
99.00894	12.2
99.04513	2.5
101.02452	56.0
102.02757	1.1
109.02971	3.1
111.00904	5.3
111.04521	1.7
113.02467	25.3
114.93474	0.9
115.04050	2.1
119.03512	3.3
125.01681	1.0
125.02456	5.7
129.01981	2.2
131.03528	6.5
134.03758	2.9
135.04532	2.1
136.01625	0.9
137.02458	3.0
141.01927	1.2
143.03510	3.4
143.05046	2.9
149.04587	3.7
155.03543	0.8
159.03004	6.0
161.04576	23.2
162.04869	0.8
169.39560	0.7
171.04579	1.2
173.04561	10.6
173.15440	1.5
178.02643	0.8
179.05640	2.0
191.01991	1.3
191.05634	26.6
192.05954	1.2
231.10248	1.0
233.06657	3.0
249.11389	2.9
257.08267	2.9
271.02594	2.1
275.09277	1.2
335.20779	68.7
336.21097	4.2
407.19302	0.9
407.28632	2.0
429.17725	0.8
449.14474	2.8
467.15692	4.9
467.24997	100.0
468.15506	0.8
468.25159	8.2
468.30780	1.2
493.54291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71434	1.0
58.02981	13.9
58.73999	0.8
59.01370	2.5
59.45997	0.9
61.98825	3.3
66.03477	4.4
71.01389	1.7
78.08905	0.9
80.05074	1.6
82.06629	29.5
84.08191	4.9
85.02946	1.0
87.00877	1.0
87.05646	8.1
88.04082	1.2
93.05749	0.9
94.06598	1.1
96.96031	1.1
111.05591	1.0
112.04050	2.2
113.07218	2.5
114.05626	1.4
115.07645	3.3
122.09760	3.2
128.10849	1.0
129.06683	6.8
129.10359	5.4
130.05113	2.2
131.85654	0.9
136.11299	2.8
140.07202	4.5
153.10364	1.0
155.08342	1.2
155.11897	3.0
165.10309	1.7
165.13988	8.5
166.08760	20.4
167.09030	1.1
169.09790	1.3
179.11894	1.7
181.13477	45.7
182.12939	14.9
183.11411	2.1
184.10875	1.3
191.11922	4.0
192.10353	4.4
200.14043	19.0
209.12965	100.0
210.13326	4.3
224.14078	26.1
225.12450	11.0
228.88268	1.1
241.15593	39.4
242.15118	37.5
243.13403	2.6
243.15521	1.6
278.22342	8.2
313.91507	0.9
322.21359	1.4
322.24982	1.1
349.26135	6.6
354.77408	1.1
359.63565	1.0
391.27176	9.1
393.24820	4.1
425.27609	2.6
435.26120	51.0
436.26483	4.9
462.65332	0.9
467.28757	10.5
468.28888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06447	0.3
55.02125	0.3
57.03450	0.6
59.01388	4.6
61.98849	0.9
71.01391	2.0
72.99305	0.3
80.02702	0.6
81.03477	0.4
83.01411	0.4
85.02966	1.1
87.00895	0.8
89.02454	2.4
93.03447	0.5
99.04467	0.3
101.02447	0.9
108.02186	35.2
109.02482	0.6
111.04512	0.5
113.02454	0.8
113.97302	0.3
114.05621	7.4
119.03550	0.5
119.04941	0.3
123.04539	15.0
125.02523	0.4
126.02026	0.8
134.03746	0.4
136.04073	1.4
138.05626	0.8
145.03001	0.3
152.01170	47.6
153.01527	1.2
156.06728	2.0
167.03511	100.0
168.03874	3.7
173.04526	1.3
174.04881	0.4
175.04019	0.4
177.01955	0.4
191.05656	2.2
192.05963	1.0
209.04590	0.3
216.04195	0.3
248.06860	0.7
263.09164	0.9
306.06085	0.4
323.09915	4.0
434.90192	0.4
465.31354	0.4
468.15350	4.6
469.15945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.4
57.03456	0.8
59.01385	14.5
60.01715	2.2
61.01815	1.8
61.98836	100.0
62.02156	0.4
71.01394	4.3
71.41521	0.5
72.01698	0.5
73.02940	1.5
85.02973	0.7
86.10831	0.4
87.00907	0.5
89.02454	4.6
90.02800	1.1
91.02899	0.5
92.80667	0.4
99.00924	0.8
101.02464	2.7
102.02791	0.6
113.02474	1.6
116.85412	0.5
119.03535	1.0
119.05024	0.8
125.02491	0.4
131.03542	0.6
137.48293	0.4
137.77458	0.4
138.05704	0.6
142.05177	0.7
148.05351	1.1
149.04601	1.0
149.09758	0.9
150.10123	0.9
161.04581	1.1
163.03992	0.9
163.07675	1.9
165.01987	2.0
167.10838	1.3
168.11147	1.7
169.11424	0.6
180.04340	1.5
191.05688	0.8
195.06633	3.0
225.07811	1.0
245.08290	0.9
263.09332	1.1
313.23892	0.4
337.18805	0.8
361.13382	0.5
368.20172	0.5
408.22217	2.3
458.12738	0.4
468.15829	0.5
468.21652	0.7
469.23035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89758	0.2
55.11318	0.2
57.03455	0.8
59.01380	4.2
60.01730	0.4
61.98836	100.0
71.01395	2.4
71.44292	0.4
73.02962	0.6
78.32965	0.3
80.91660	0.3
85.02968	0.9
89.02453	1.8
95.01397	0.3
99.00891	0.4
99.04537	0.6
101.02457	2.2
108.02209	0.4
109.02996	0.3
111.00859	0.3
113.02472	1.0
114.05634	0.4
119.03538	0.5
119.05087	0.3
123.04524	0.6
125.02518	0.3
128.03616	0.3
138.01982	6.4
142.49632	0.3
149.02512	0.4
151.04066	0.3
160.04065	1.4
161.04491	1.1
162.05774	0.3
167.03525	1.2
191.05672	0.5
192.05983	0.4
204.99608	0.5
205.02939	1.1
220.02113	0.3
235.04405	0.7
241.00232	0.6
242.00934	0.3
252.02963	1.8
305.05505	0.9
307.17773	0.4
312.05313	0.3
324.17462	0.4
342.06241	0.3
368.11264	0.3
432.11407	1.3
436.08780	0.5
468.15100	1.2
469.22897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85613	0.5
59.01386	22.6
60.01720	0.7
61.98837	100.0
66.74003	0.5
69.50291	2.4
71.01400	2.7
73.02950	0.6
75.10318	0.6
79.94183	0.5
85.02972	0.9
89.02428	3.4
98.22604	0.6
99.00920	0.9
101.02466	2.1
113.02485	0.6
119.03516	0.7
148.90997	1.2
149.04611	1.6
150.02037	1.4
160.84276	1.1
162.05685	1.0
178.01459	1.1
179.03493	0.9
205.85500	0.5
270.11691	0.6
305.91568	0.6
306.06400	1.5
356.18692	0.9
358.20380	0.7
390.23193	1.1
400.21503	0.6
406.22760	0.8
408.23880	4.0
409.17654	0.9
418.22577	0.9
432.23981	1.2
450.24966	4.2
465.66556	0.6
467.97101	2.0
468.11679	1.6
468.26242	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	468.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22097	0.5
59.01386	100.0
60.01718	1.1
61.98851	0.7
69.29678	2.8
69.34619	0.5
72.04557	0.8
78.76805	0.5
80.18112	0.5
80.50465	0.4
89.02464	0.5
136.55592	0.5
140.13739	0.5
140.31354	0.5
148.94879	0.6
159.08250	0.9
162.05667	1.5
212.46344	0.5
218.58170	0.5
269.89224	0.7
270.11484	1.3
292.80017	0.5
294.86325	0.5
358.20206	4.5
359.20502	0.6
372.21811	0.9
390.22711	5.8
391.22949	0.8
408.23935	19.7
409.24371	2.1
461.89777	0.6
468.26324	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88876	5.7
58.57304	5.5
59.01388	98.0
69.46928	11.7
69.47279	22.4
70.51321	5.8
71.01383	56.1
73.02953	18.8
85.02959	15.3
89.02447	100.0
91.93584	6.7
99.00889	19.3
101.02455	40.9
113.02451	17.7
113.96719	5.6
131.03526	19.2
135.04527	16.6
149.04575	81.0
161.04616	11.5
178.17146	6.3
179.03499	12.9
180.04236	9.3
191.05670	11.9
195.06596	7.9
277.12897	11.1
307.08249	6.1
409.17343	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2211
Annotation	acetyl-andilesin A
Peak:m/z	Relative Intensity
57.03459	14.6
59.01394	86.2
61.98832	41.5
67.13876	10.1
71.01392	50.5
72.80308	10.8
73.02926	18.1
80.72787	11.1
82.68731	12.0
85.02957	22.2
89.02467	38.1
99.00851	12.1
101.02471	37.1
111.00888	26.5
113.02473	25.3
119.03504	23.0
123.15485	10.9
129.01976	17.8
134.48701	10.5
157.60367	13.3
160.01738	20.1
161.04578	15.4
175.04047	12.7
179.05624	13.3
409.21143	14.0
433.24481	25.9
469.16763	10.9
469.22311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2211
Annotation	Neokurarinol
Peak:m/z	Relative Intensity
59.01382	77.8
61.98828	46.7
71.01385	53.8
73.02957	26.5
83.52409	12.6
85.02919	14.8
85.96273	13.8
87.00883	12.5
89.02449	34.8
99.04541	18.7
101.02460	30.6
113.02452	23.9
119.03585	18.4
141.16730	13.4
160.01735	12.2
179.05637	15.2
187.21629	12.1
193.05092	16.2
222.79248	13.4
304.69263	12.7
433.24380	15.7
469.21964	100.0
470.22568	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64029	7.4
57.03450	7.9
59.01386	62.7
61.98836	100.0
69.13656	54.7
71.01400	40.1
73.02960	11.5
78.95911	13.0
85.02957	26.7
87.00903	11.7
89.02442	27.3
93.03426	8.9
99.00829	9.1
101.02449	16.4
111.00876	16.8
160.01685	18.7
161.04477	8.9
175.04012	14.5
193.05034	11.5
233.48759	7.5
241.29344	7.2
256.03018	7.5
307.09341	8.7
426.08472	10.2
433.24475	30.8
469.22058	64.9
470.32346	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.9
57.03451	7.2
59.01387	76.6
60.01733	1.7
61.87239	1.2
61.98840	4.6
65.87859	0.9
69.03465	2.5
71.01390	74.8
72.01762	1.2
72.99332	2.1
73.02953	33.2
75.00864	2.3
81.03487	1.1
81.38940	1.0
83.01388	10.7
85.02956	34.2
87.00883	10.2
89.02453	46.4
95.01415	3.8
97.02964	4.9
99.00895	16.5
99.04566	2.4
101.02454	59.7
102.98637	4.6
108.02183	1.5
110.02501	3.3
111.00910	3.1
111.83379	1.1
113.02471	29.7
115.04042	2.0
119.03523	8.6
119.05049	2.1
120.99664	13.9
123.04473	1.3
125.02458	6.9
128.01018	1.0
129.01994	2.4
131.03529	7.3
134.03769	3.5
135.04576	3.8
137.02531	1.5
143.03560	2.4
143.07234	1.2
148.05322	22.8
149.04582	13.2
149.05780	1.5
159.03044	4.0
161.04585	23.3
161.05940	1.9
163.07675	28.1
164.08072	1.7
165.01976	2.7
171.04646	1.1
174.03271	8.5
175.13423	4.5
176.04836	1.5
179.03506	3.5
179.07224	1.5
186.06845	1.3
187.04036	4.6
188.04854	2.1
189.05664	2.5
191.05647	4.4
191.07199	1.4
195.06688	3.5
201.05565	1.9
202.06413	3.5
203.03702	1.5
203.07228	2.4
204.07957	2.2
214.06412	2.2
217.08800	1.2
219.10315	3.2
221.08344	1.7
221.97189	1.1
229.05087	3.7
229.08844	2.7
230.05829	6.8
233.06750	5.0
244.07590	1.1
245.08234	12.7
247.06126	1.5
263.09238	17.9
264.09488	2.1
271.10580	1.2
283.04919	5.3
293.08817	3.0
307.08292	2.3
337.18713	55.8
338.19019	4.0
364.61639	1.3
409.17429	2.3
425.14639	7.7
426.14951	1.2
469.13101	4.4
469.23056	100.0
470.23264	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	469.2574
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
69.14677	2.5
72.96940	0.4
72.99319	0.4
78.95904	7.6
96.96964	0.9
125.06071	2.0
143.07152	4.6
152.99609	15.2
169.64717	0.5
171.00664	1.5
227.03304	3.1
233.14481	0.4
241.21747	100.0
242.22105	6.4
245.04308	1.5
289.18115	2.2
291.90961	0.3
306.61340	0.5
306.73383	0.4
307.19147	3.2
433.26300	0.6
469.25745	24.0
470.26102	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	470.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03440	1.3
59.01123	0.8
59.01390	11.8
61.98843	5.2
68.66728	0.6
68.99811	1.3
69.03462	5.7
69.18864	3.6
70.03780	0.7
71.01395	9.1
72.38952	0.6
72.99307	0.7
73.02966	2.8
75.00872	1.5
79.01864	0.5
81.03459	2.3
83.01384	3.4
85.02962	6.6
87.00889	3.1
87.04509	1.6
88.95695	0.6
89.02473	4.6
95.01395	2.2
96.96022	0.6
97.02961	6.6
98.13398	0.5
99.00888	1.6
99.04514	0.7
101.02448	5.8
106.04265	5.9
107.01391	2.6
108.02183	1.7
109.02981	1.0
113.02476	3.0
114.05623	17.9
116.92892	0.8
118.98090	0.6
119.03516	1.7
123.00903	7.5
123.04556	0.8
124.01683	22.5
125.02465	63.4
126.02815	1.6
128.03564	0.8
131.03607	0.6
135.04529	1.6
137.02455	4.6
139.03877	0.9
143.03531	6.6
145.02972	0.6
147.06749	0.7
149.02420	0.8
149.99606	30.3
151.00249	2.1
151.04045	0.7
156.06689	4.2
161.02457	2.5
161.04550	3.0
164.10823	42.0
166.05118	0.8
167.03545	1.4
168.00661	56.6
169.01448	5.9
175.04102	0.8
179.03516	1.7
211.59019	0.6
211.75984	0.6
272.13058	1.3
279.62064	0.7
305.08688	1.2
313.05679	5.1
323.07639	1.9
333.55075	0.8
452.12100	2.6
470.13068	100.0
471.13370	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02791	0.6
59.01387	16.2
61.40788	0.5
61.98819	2.4
63.57447	0.6
71.01392	9.2
71.35593	0.7
73.02958	0.9
74.75719	0.5
85.02968	2.2
87.00886	0.9
89.02470	1.3
93.25954	0.5
101.02448	1.5
109.04993	0.6
113.02481	0.8
115.00381	6.8
119.05061	1.0
121.02997	1.2
125.02447	0.6
129.01991	0.6
133.02991	1.1
134.03760	49.0
135.04083	0.9
137.02455	2.6
139.04019	0.9
149.06099	14.4
150.06445	0.9
160.01637	3.1
163.04010	1.8
175.04016	4.1
177.01930	1.3
178.02731	28.9
179.03050	0.7
193.05074	100.0
194.05435	5.0
204.04276	12.3
205.04654	0.7
215.42796	0.5
219.06630	9.4
221.12102	0.8
235.06161	1.8
249.07706	19.2
250.07996	0.7
265.07278	0.9
295.08243	0.9
355.10367	14.6
356.10690	0.7
397.11414	3.1
411.18686	1.3
446.75797	0.6
459.69461	0.6
471.13229	0.8
471.19522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	2.1
59.01386	33.0
61.98828	6.0
64.74195	1.7
68.72427	1.6
71.01394	11.5
71.40056	1.8
73.02954	45.1
74.03342	1.5
76.53192	1.6
85.02952	8.5
87.00926	1.8
87.04531	2.9
87.06188	1.7
87.89749	1.6
88.72450	1.5
89.02436	10.2
96.96991	4.3
97.59679	1.5
98.10333	1.9
101.02463	15.2
103.04027	100.0
111.00901	3.2
115.00378	1.7
115.04018	3.4
119.03486	3.5
123.04530	2.3
125.02454	3.3
129.02019	1.9
131.03459	1.9
134.03754	17.0
135.61548	1.6
136.01694	9.5
143.03516	3.5
145.05086	3.8
149.06129	12.6
151.04051	12.6
163.06142	19.6
170.91154	2.4
174.99222	3.9
178.02737	4.1
193.05057	14.2
196.13910	1.8
205.07178	5.2
221.08395	1.8
230.99724	4.0
232.00571	2.0
235.02745	1.9
249.01564	3.8
267.01816	3.0
275.99591	3.0
291.01923	20.5
305.43109	2.0
309.02966	12.6
351.04153	1.8
411.06335	4.1
413.10709	2.2
471.12292	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03455	2.0
59.01386	100.0
60.01714	0.7
61.93682	0.6
61.98848	7.1
68.61795	0.6
69.28048	0.6
70.49530	0.6
71.01389	13.0
72.51801	0.6
72.99323	0.7
73.02956	3.0
73.12678	0.6
75.00885	1.7
83.01405	1.2
83.05023	1.3
85.02952	4.9
87.00894	1.6
87.53815	0.5
89.02454	9.8
95.01421	0.6
99.00890	1.0
99.04541	1.2
100.93332	0.6
101.02459	8.0
101.03095	0.6
105.35921	0.6
113.02459	5.4
119.03513	2.9
131.03474	0.6
134.03757	0.7
137.09781	0.6
143.03525	1.8
149.04616	1.0
152.08496	1.5
153.09225	3.8
156.87794	0.7
159.03030	1.2
160.01762	1.4
161.04584	11.8
162.12128	0.6
175.04073	1.8
179.03984	0.5
179.05595	3.0
187.11392	1.0
191.05617	0.9
193.05148	1.2
205.12480	1.0
231.13811	3.0
249.14999	5.0
251.07321	0.7
291.12262	1.2
305.54980	0.7
344.48727	0.6
411.20270	1.3
471.18857	1.9
472.28958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54530	5.1
59.01382	9.5
71.01417	6.5
71.39935	8.4
98.92786	4.9
110.51405	5.1
113.02507	7.0
181.12436	6.2
291.19830	27.6
309.20749	100.0
310.21072	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	472.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22172	0.3
58.19147	0.4
59.01385	6.4
61.66925	0.3
61.98837	100.0
64.66599	0.3
69.41202	0.7
69.41594	0.6
71.01390	1.2
75.00835	0.4
85.65752	0.3
89.02428	0.6
101.02473	0.4
101.67967	0.3
119.05054	0.5
134.03784	0.7
135.04541	1.0
149.04655	0.5
149.06100	0.6
176.04893	0.6
191.07257	0.4
193.05121	1.5
194.05505	0.4
206.06747	0.4
207.45215	0.4
221.04659	1.1
221.08220	1.1
232.06183	0.8
236.07069	0.4
243.99033	0.3
251.09215	2.4
252.67085	0.3
311.07870	0.8
390.22974	1.5
472.14114	0.4
473.13458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56481	0.6
59.01381	5.1
61.98834	3.7
70.91965	1.5
71.01379	1.7
73.02905	0.8
74.56547	0.6
75.00874	4.4
85.02952	1.9
87.00886	2.1
89.02432	1.1
97.02982	1.8
99.04526	2.2
100.27327	0.7
101.02460	0.8
106.81420	0.6
107.05016	0.7
109.02964	26.1
111.00880	3.1
113.02441	1.3
119.05042	0.8
121.03024	1.5
133.02963	1.5
133.06682	0.7
134.03734	4.3
135.04541	100.0
136.04839	2.5
143.05058	1.3
147.04549	1.4
148.05318	2.2
149.00923	1.6
149.06091	33.2
150.06432	1.0
151.04066	0.7
151.07664	2.3
159.04539	2.5
161.02457	3.4
161.06079	4.5
162.03291	3.4
163.04007	2.7
163.07590	0.8
164.04752	0.8
165.05519	1.2
171.04527	1.4
172.05402	0.7
173.06116	5.6
174.03197	0.6
175.04045	5.3
176.04810	1.3
177.05585	15.6
178.02689	0.8
179.03523	15.3
188.04842	1.3
189.05586	14.0
191.03514	1.4
191.07196	6.0
193.05095	4.3
195.06656	2.0
203.03668	1.1
203.07169	3.6
205.05017	0.8
205.08736	1.1
207.06628	11.0
219.06671	4.3
221.04585	36.1
222.04922	1.5
223.06172	0.7
231.06651	14.2
233.91931	0.8
235.06145	14.6
236.06294	1.1
239.05637	11.0
249.07657	8.3
253.07220	2.9
267.08865	0.9
271.08359	0.7
281.06650	1.6
293.06668	1.9
297.09894	3.3
311.04300	0.8
311.07782	22.6
311.11313	3.2
312.08072	2.3
312.12012	0.7
316.49252	0.7
341.08835	7.8
369.11938	2.2
383.09882	4.9
384.55396	0.8
393.12009	1.3
397.11490	2.3
401.10910	8.0
402.11514	0.7
411.12912	2.5
413.10928	4.2
415.12598	4.9
431.42224	0.7
443.11832	5.3
455.12054	1.8
473.13095	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	473.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30812	1.8
57.03442	2.4
57.84832	2.0
59.01382	100.0
61.98827	7.4
69.99738	1.9
70.51402	3.7
71.01385	31.0
73.02967	10.7
75.00877	3.1
83.01424	2.4
85.02941	6.2
89.02449	46.6
93.24857	2.1
97.02927	2.5
99.00880	7.0
101.02459	14.6
110.00334	2.0
111.00850	2.9
113.02460	6.6
119.03467	2.8
125.02457	17.1
131.03491	7.1
136.63759	2.2
143.03484	2.8
143.10832	15.2
149.04567	24.2
160.66968	2.1
161.04486	4.2
161.09711	4.4
175.03954	2.2
176.40767	1.9
186.75238	2.5
187.11269	5.2
189.09254	2.7
191.05646	6.5
193.04918	2.5
197.42409	2.0
233.06558	11.0
242.02269	2.6
263.12827	2.7
270.01688	2.7
293.08780	72.0
294.09134	4.0
299.02051	2.5
329.06522	31.6
366.51999	2.4
437.20551	2.2
473.07373	3.2
473.17834	20.1
473.24619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03453	2.0
59.01386	100.0
59.34357	0.3
60.01709	0.6
61.98840	0.6
69.09015	1.6
71.01389	9.7
71.01787	0.6
72.99319	0.5
73.02957	3.2
78.91826	0.3
83.01398	1.0
83.05049	0.4
85.02959	4.4
86.00150	0.4
87.00890	1.0
87.04578	0.3
89.02457	6.8
95.01427	0.7
97.02980	0.5
98.21893	0.8
99.00907	1.0
99.04569	0.9
101.02460	6.4
101.06142	0.4
111.00867	0.5
113.02459	5.5
119.03506	2.7
125.02513	1.1
131.03502	0.4
134.03897	0.3
135.04544	0.7
135.98451	1.1
143.03529	0.8
149.06139	0.6
150.03238	0.8
159.06706	1.1
161.04601	3.0
163.11320	3.3
164.04810	3.4
165.05629	0.5
179.05646	1.3
179.07211	3.1
181.12341	0.4
195.06638	0.4
203.14503	1.0
231.08821	0.4
249.09828	0.7
269.17743	1.0
285.70139	0.3
346.61444	0.4
383.20862	0.7
413.21838	2.6
431.22968	4.7
432.23526	0.4
473.23822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26117	0.5
56.85745	0.6
57.03452	2.0
59.01382	100.0
60.01714	0.6
61.98833	1.4
71.01392	11.1
72.99319	0.8
73.02952	4.7
75.00882	0.8
76.68404	0.5
77.81449	0.5
83.01401	1.8
83.05008	0.8
83.08856	0.6
85.02962	4.0
86.00119	0.7
87.00900	1.3
87.04533	0.7
87.14645	0.5
89.02452	9.0
92.50910	0.5
95.01407	0.7
98.21858	0.8
99.00923	1.1
99.04508	1.2
101.02451	7.8
111.00906	0.7
113.02452	5.9
113.03154	0.6
119.03517	3.8
125.02441	1.2
129.01973	0.6
134.03712	0.6
135.04555	1.7
135.98337	0.8
149.04639	0.6
159.06619	0.9
161.02455	1.3
161.04526	3.4
163.11287	3.7
163.50714	0.6
166.05090	3.0
168.03069	0.5
177.01949	0.6
179.05670	2.1
203.14413	2.0
221.09807	0.8
285.04117	1.1
383.21204	0.8
413.21936	2.4
431.22842	3.1
473.14960	2.2
473.23141	1.1
473.29321	1.5
474.22910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.4
61.98837	100.0
69.35107	4.4
71.01385	3.5
75.00829	1.1
85.02982	1.0
89.02442	2.0
98.22717	1.6
101.02473	1.4
102.15151	1.0
109.02946	1.1
118.96474	0.9
119.05056	2.1
133.02921	1.0
134.00032	0.8
135.04521	5.0
136.04846	3.4
149.04515	1.3
150.02818	0.9
151.04076	1.0
151.64410	0.9
161.02245	1.0
162.02776	1.3
162.05653	6.4
163.03998	2.7
179.03458	1.3
193.05125	1.3
204.03442	1.0
235.08263	1.2
235.69623	1.0
270.11356	2.7
312.08182	1.6
312.12320	2.1
347.36948	1.3
434.48761	1.0
474.12878	2.0
475.14258	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	474.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01936	0.4
59.01396	1.7
61.98837	100.0
62.62714	0.4
69.17268	1.8
71.01405	1.5
73.02966	0.5
85.02927	0.4
85.94194	0.4
89.02457	1.1
99.00937	0.4
113.02470	0.7
131.03517	0.4
135.04565	1.8
135.44704	0.5
136.04916	0.8
143.25586	0.4
151.04021	0.4
152.03642	0.4
153.05617	1.2
162.05617	5.5
174.89374	0.4
179.03465	0.5
225.05844	0.4
235.08630	0.4
270.11380	1.9
474.17746	0.8
474.25275	0.6
475.14801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10467	1.1
59.01384	1.3
61.98835	2.8
65.75292	1.1
65.79908	1.1
69.52317	4.2
74.21331	1.2
78.95914	96.6
79.39124	1.2
79.39574	1.0
93.47166	1.2
96.96980	6.2
109.57468	1.1
122.00188	1.2
127.87103	1.7
140.01201	4.9
152.99625	14.1
162.83810	2.2
164.83595	9.4
171.00685	12.0
196.03799	11.8
214.04840	2.5
277.21765	100.0
278.22134	7.1
474.26294	65.6
474.33224	2.7
475.26874	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	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26011	0.3
51.28267	0.3
52.18066	0.3
59.01384	0.9
66.00343	0.3
69.21231	0.3
71.01366	0.3
71.25494	0.5
74.38114	0.3
78.95916	13.0
81.81250	0.3
96.96953	0.4
108.29494	0.3
114.96338	0.3
127.07673	0.5
140.01190	3.0
152.99637	1.8
160.79878	0.4
171.00612	0.6
183.50188	0.3
196.03825	1.5
214.04860	3.6
233.22754	0.6
261.83392	0.3
269.19897	0.4
277.21744	100.0
278.22070	6.0
287.93094	0.3
356.38086	0.4
474.26279	9.6
475.27100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61174	0.3
61.98832	6.3
62.96407	0.3
69.17838	0.6
69.18253	1.5
74.98308	0.3
78.95910	100.0
86.77428	0.3
96.96967	7.1
102.74874	0.3
107.29982	0.4
107.54773	0.4
115.33523	0.3
140.01184	0.5
152.99603	15.2
162.83887	0.8
171.00665	14.9
277.21780	1.6
348.15436	0.3
400.22662	2.0
442.35986	0.4
474.26285	49.3
475.26578	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.5
59.01387	12.6
61.98834	0.6
63.02404	0.5
65.00326	1.5
69.65501	0.3
71.01387	3.2
71.42685	0.4
73.02961	1.6
74.08247	0.3
83.01400	0.9
83.29552	0.3
85.02981	1.4
87.00885	0.6
89.02454	2.0
91.01859	0.4
91.72282	0.3
93.03459	0.5
93.31396	0.3
95.01454	0.4
99.00900	0.5
99.04532	2.4
101.02452	2.6
102.02789	0.3
106.26270	0.3
107.01408	2.3
108.02169	2.0
109.02967	1.5
111.00900	0.4
113.02457	1.6
119.03522	0.7
119.05032	0.5
121.02949	1.6
125.02464	1.2
131.03490	0.3
135.00938	1.0
138.02103	0.3
143.03517	0.4
147.00926	0.3
148.01680	2.0
151.00381	9.6
152.01099	0.3
160.01665	0.6
161.02441	0.3
161.04601	1.0
163.00414	2.2
164.01189	0.9
169.01472	0.6
175.04022	0.6
178.98326	0.3
178.99844	4.6
179.05568	0.4
183.04596	0.6
187.04050	0.4
190.99977	0.3
193.05051	0.4
198.03197	0.6
199.04051	1.5
201.02069	0.3
201.05621	0.6
203.03448	0.6
211.03963	1.5
215.03564	0.9
216.04509	0.3
226.02673	1.7
227.03535	3.5
229.05051	0.6
239.03455	0.6
243.02989	12.3
244.03577	1.1
245.04596	1.2
254.02205	2.5
255.03017	27.9
256.03329	2.0
271.02512	60.1
272.02969	4.9
273.04044	1.1
283.02554	1.4
299.01999	1.8
300.02780	100.0
301.03516	47.3
302.03964	3.0
331.17639	0.7
415.06570	1.6
415.23407	1.2
433.07690	2.0
475.08844	47.5
476.09213	4.3
476.15710	0.4
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
57.03453	3.5
59.01386	12.2
69.08170	2.2
71.01396	1.9
73.02953	0.7
76.82105	0.4
83.01379	0.5
85.02972	0.6
87.21194	0.4
89.02448	0.7
94.49493	0.4
99.04533	3.1
101.02464	2.2
107.01397	1.1
108.02207	1.3
110.55378	0.4
113.02447	0.9
117.05736	0.4
119.05031	0.4
125.02458	1.2
134.03745	0.5
137.02405	0.4
138.38980	0.4
147.00909	0.5
148.01709	1.7
151.00363	3.1
160.01625	0.6
161.04613	1.1
163.00432	0.5
164.01161	0.6
165.05589	0.5
165.26869	0.4
169.64960	0.4
175.04024	1.1
178.99904	1.3
187.04083	0.5
190.30255	0.4
198.03203	0.5
199.04076	1.1
201.01993	0.4
209.06375	0.4
211.03923	0.5
215.03513	0.9
216.04330	0.6
221.65643	0.4
226.02774	0.9
227.03535	2.8
243.02992	10.1
244.03534	0.7
254.02284	2.1
255.03001	24.8
256.03448	1.5
271.02505	56.6
272.02866	3.8
294.51791	0.4
299.02023	6.2
300.02768	100.0
301.03262	10.4
331.17770	1.3
415.06720	3.4
433.07785	0.9
439.16107	0.6
465.21057	0.5
475.08856	28.9
476.09250	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	475.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86245	0.3
57.03437	0.8
59.01385	8.1
65.00316	0.4
65.72008	0.3
69.13134	2.3
71.01384	1.5
73.02934	0.4
73.83514	0.4
85.02958	0.7
89.02454	0.7
98.24110	0.4
99.04510	1.0
101.02422	0.9
107.01368	0.9
108.02193	1.4
109.02942	0.4
113.02449	0.7
117.03453	0.5
119.03481	0.5
125.02474	0.5
132.02184	3.3
133.02946	0.8
134.03758	3.6
135.00865	0.7
148.01671	1.5
151.00345	2.2
151.61505	0.4
160.01668	13.2
161.02484	1.7
163.00418	0.7
164.01135	0.6
175.04016	13.9
176.04623	0.7
178.99863	1.2
179.03400	0.9
183.04558	0.4
193.05019	3.3
199.04074	1.1
211.04044	0.7
213.97163	0.5
214.66594	0.3
215.03476	0.8
216.04266	0.6
226.02702	1.6
227.03624	2.1
235.06070	0.7
243.02997	8.8
244.03615	0.9
246.83371	0.3
254.02200	1.4
255.02992	21.0
255.60349	0.4
256.03394	1.4
262.88562	0.4
271.02505	49.4
272.02957	4.3
299.02039	4.5
300.02777	100.0
301.03235	9.7
351.13492	0.4
415.07019	1.9
433.07520	0.9
466.21912	0.5
475.08878	29.4
475.16165	14.0
476.09247	3.0
476.16632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32154	0.5
51.96402	0.5
57.03451	2.0
59.01385	10.9
60.14722	0.6
61.98848	0.7
65.00347	1.5
71.01382	3.7
73.02962	1.4
83.01398	1.6
85.02962	1.4
89.02471	1.9
98.22673	1.5
99.04522	1.4
101.02456	3.2
107.01384	2.6
108.02205	2.5
109.02983	1.6
109.06674	0.6
113.02464	1.4
119.01430	0.6
120.73674	0.5
121.02953	3.1
124.18477	0.6
125.02467	1.1
134.03654	0.6
135.00890	1.3
145.65814	0.6
148.01695	2.5
151.00395	11.3
160.01680	0.9
163.00400	2.9
164.01154	0.8
167.33000	0.6
175.04034	1.8
178.99910	4.3
183.04543	0.7
187.04059	0.8
190.99919	0.9
199.04048	1.9
211.03972	0.9
215.03513	1.4
226.02769	1.6
227.03513	3.7
229.05083	0.9
240.17126	0.5
243.03020	11.4
244.03769	1.2
245.04446	1.4
254.02176	2.8
255.03009	26.9
256.03424	2.3
271.02499	59.3
272.03040	5.5
273.04037	1.1
283.02551	1.3
299.01947	2.2
300.02780	100.0
301.03516	56.0
301.07147	1.1
302.03888	3.1
331.17709	0.7
381.78021	0.6
415.06638	2.1
415.23102	0.7
433.07800	1.8
474.22943	0.8
475.08853	49.2
475.23712	1.9
476.09119	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	475.146
Annotation	Polygalatenoside D
Peak:m/z	Relative Intensity
55.01878	2.6
58.96954	2.4
59.01377	24.7
61.98838	15.6
62.25386	2.3
68.71740	1.9
71.01390	61.1
73.02962	19.8
74.74737	2.2
75.59254	2.4
78.91913	3.1
83.01397	5.8
85.02957	28.9
86.81318	2.4
87.00877	5.1
89.02442	10.4
93.03481	3.0
95.01414	4.1
96.96070	2.1
99.00883	8.7
101.02444	34.6
106.04260	9.7
107.05041	100.0
108.02173	3.0
108.05384	2.5
108.93747	8.9
111.00891	3.2
113.02467	25.7
119.03539	3.7
119.05068	5.5
123.04533	2.3
125.02460	2.7
133.02972	6.2
135.04579	4.0
138.01961	6.5
143.03450	2.7
147.04506	4.7
149.06073	7.4
151.04019	97.7
159.02972	5.6
161.02454	4.3
161.04599	38.7
161.05928	3.5
164.07181	5.5
165.05611	4.3
175.03972	3.4
192.95734	2.9
193.05061	9.5
211.19167	2.4
215.02278	3.0
217.00386	3.0
223.06107	9.8
251.09091	2.9
270.11404	6.2
313.09366	22.3
313.12527	3.9
355.10434	3.0
377.07611	3.6
439.18600	4.1
475.04932	3.0
475.14435	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63501	1.0
57.03469	1.1
59.01385	21.9
59.16495	0.7
61.98849	1.8
62.79071	0.8
69.93705	1.3
71.01380	9.7
73.02958	3.2
83.01410	1.5
85.02964	3.7
87.00908	1.4
89.02454	7.2
93.03477	1.0
98.21913	0.9
99.00891	1.5
101.02435	5.7
113.02460	3.9
117.03485	2.8
119.03534	2.1
119.05027	4.4
129.01938	0.9
129.83322	0.7
131.03496	0.8
132.02180	21.1
133.02997	6.9
134.03748	31.4
135.04543	4.3
137.02446	1.0
137.06181	1.1
147.04491	1.0
148.04123	0.8
149.06055	4.3
160.01668	100.0
161.02457	12.0
161.04601	2.4
175.04013	93.1
176.04367	5.1
177.01939	8.3
177.05608	1.5
178.02623	1.8
179.03557	4.1
191.07155	2.1
193.05078	23.7
207.06589	1.0
209.88582	0.8
221.04474	1.3
235.06120	5.0
281.06610	1.6
295.08109	0.8
307.17307	1.3
313.89886	0.8
357.09747	2.0
406.66400	0.8
415.23480	0.8
439.21872	16.4
440.21811	1.7
460.13028	0.9
475.15808	91.8
476.16159	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	475.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93486	0.5
57.03445	4.3
59.01385	19.0
61.98826	0.9
71.01391	6.3
73.02948	2.0
83.01389	1.5
85.02963	2.1
87.00875	0.9
89.02457	5.0
89.03946	0.6
92.39986	0.5
95.01398	0.7
98.22637	1.5
99.00936	0.9
99.04527	4.0
101.02441	5.1
107.01413	1.1
108.02175	0.8
113.02476	2.8
113.57129	0.5
117.03481	1.6
119.03533	1.6
119.05029	4.2
123.04647	0.5
125.02469	1.9
132.02177	20.3
133.02986	5.2
134.03749	28.1
135.04562	2.8
137.02426	1.0
137.06114	0.7
144.98526	0.5
147.04562	0.7
148.01669	0.8
149.06094	3.8
150.03230	0.7
151.00398	1.7
158.03784	0.5
160.01671	93.8
161.02467	12.2
161.04552	0.9
163.00438	0.7
163.04073	0.7
165.05627	1.0
166.05026	1.2
175.04015	100.0
176.04417	4.4
177.01964	0.6
177.05525	0.7
178.02745	1.2
178.99818	0.7
179.03520	4.1
187.03944	0.6
191.07104	3.0
193.05072	22.9
194.05453	0.6
207.06615	0.6
207.95581	0.5
221.04588	1.6
226.02718	1.0
227.03630	1.3
235.06142	5.7
243.02972	7.0
251.05646	0.5
254.02286	1.5
255.03008	12.5
256.03430	1.2
265.07245	0.7
271.02484	31.9
272.02945	3.0
281.06625	1.4
295.08081	1.2
299.01941	2.0
300.02771	54.9
301.03293	7.5
331.17636	1.0
391.89307	0.5
415.06677	2.2
469.85303	0.7
475.08887	24.4
475.16083	97.5
476.09219	2.2
476.16440	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	475.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50373	0.4
52.57342	0.4
59.01376	3.4
66.89724	0.3
67.99293	0.3
69.41628	2.0
71.01385	12.8
73.76256	0.4
76.94772	0.4
83.34281	0.4
85.02940	0.7
87.00888	6.3
87.04522	2.5
89.02453	7.3
91.93453	0.4
92.94288	0.5
99.63242	0.4
101.02444	0.9
103.68858	0.4
108.93758	14.9
109.50310	0.4
111.00890	0.9
113.02446	0.7
115.00376	0.9
119.03554	0.7
120.59194	0.4
132.93759	4.0
132.94678	4.0
133.01436	1.3
133.05083	100.0
134.05440	1.6
135.04517	0.7
136.93256	1.4
138.01971	0.9
138.03203	0.5
141.50510	0.4
143.03476	0.5
149.06088	0.5
161.02393	0.5
162.48936	0.4
162.94843	0.7
174.94801	0.8
179.05595	0.5
182.02338	0.6
186.94847	1.8
192.95872	7.8
197.04546	1.8
202.94289	0.7
204.95874	1.8
207.55258	0.4
215.87555	0.4
222.96927	0.6
234.96922	4.5
252.97934	1.3
294.98981	1.0
320.92361	0.4
324.95020	0.4
325.00327	0.5
341.10904	3.8
377.08554	2.7
415.03516	2.5
475.14453	0.8
487.90314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16117	2.2
50.49505	2.4
52.78593	2.1
55.01881	3.4
57.03448	5.1
59.01383	87.1
60.80069	2.6
60.99311	3.0
61.98805	4.8
70.09693	7.9
71.01015	4.9
71.01389	59.5
71.01787	3.8
72.04147	2.5
73.02954	26.7
75.00906	2.9
83.01392	15.2
85.02961	25.5
87.00874	7.2
88.98811	14.1
89.02457	23.1
95.01375	3.4
97.02933	3.2
99.00884	9.6
99.04494	5.0
101.02451	58.1
103.04003	4.9
110.95946	2.5
111.00914	2.5
113.02457	27.8
118.00763	2.9
125.02455	8.6
126.93557	2.9
134.03725	4.1
135.02995	5.9
142.34030	2.3
143.03502	3.7
149.04611	2.8
154.12517	2.4
156.25140	2.5
159.03047	6.3
160.21567	2.6
161.04565	31.4
162.20662	2.5
163.06134	3.1
180.04227	5.1
223.24275	2.8
269.10318	76.2
270.10617	5.0
357.09775	11.6
415.16135	100.0
416.16440	8.5
433.34015	2.9
439.21573	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05918	4.4
59.01385	100.0
62.05866	4.4
63.59549	4.3
64.81464	4.4
68.61980	4.1
71.01383	88.3
71.44566	4.6
72.99290	4.3
73.02944	45.2
75.00896	6.5
83.01385	10.9
85.02956	33.3
87.00883	6.4
89.02461	58.6
95.01398	4.9
99.00910	20.6
101.02456	68.4
113.02459	30.5
115.98421	4.6
125.02479	8.1
131.03519	7.6
134.03729	12.7
135.03011	20.0
138.03290	4.3
147.03456	5.4
149.04570	30.3
153.05583	16.1
159.03021	6.8
160.01698	12.0
161.02498	8.7
161.04572	36.9
164.03615	8.0
175.04120	6.4
176.04781	11.0
181.12508	4.3
188.51682	4.3
191.05576	9.9
191.07155	13.9
193.05136	5.3
194.00311	5.4
225.05891	33.8
245.94138	4.8
251.07394	7.9
283.11865	34.5
293.08868	9.7
357.09949	29.2
368.26889	4.7
387.11267	10.6
415.16080	96.1
416.16196	7.1
475.17636	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	475.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81828	1.8
50.83255	1.5
55.01883	2.5
57.03447	1.6
58.42950	1.6
59.01384	86.3
61.98837	14.4
71.01383	48.6
73.02962	12.3
79.37845	1.7
83.01381	4.4
85.02957	12.7
87.00893	3.0
88.98685	1.7
89.02446	39.7
95.01382	3.3
99.00887	7.8
101.02444	33.5
104.04971	2.2
109.02933	3.0
113.02453	19.0
113.70312	1.9
119.03487	5.4
119.04980	2.4
131.03508	5.3
134.03745	4.3
134.06136	26.0
135.03047	3.6
137.96027	1.8
147.04515	7.9
147.39885	1.9
148.04053	29.9
149.04564	18.1
154.40198	1.9
159.03091	2.4
160.04044	12.2
161.04547	13.7
174.05659	8.7
179.05646	2.6
191.05664	3.4
191.34203	2.1
251.07666	2.7
267.11450	9.2
269.08301	2.7
278.03268	1.8
283.11868	32.3
295.10907	43.6
296.11099	3.0
357.09821	12.4
415.16110	30.1
416.17004	2.2
447.17679	4.0
475.17258	100.0
476.17691	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	475.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63919	0.6
55.01867	0.8
57.03450	54.9
59.01382	100.0
60.01711	0.8
61.98838	1.9
68.33913	0.6
69.03473	0.7
69.10646	2.3
69.11050	2.2
70.91988	0.7
71.01385	20.9
73.02949	8.0
81.03471	1.0
83.01383	3.5
85.02946	7.3
87.00900	1.5
87.04508	1.6
89.02449	16.6
89.69359	0.7
95.01418	1.8
96.01900	0.6
99.00903	1.5
99.04527	44.4
100.04859	0.7
101.02451	25.4
106.11400	0.7
113.02456	10.3
119.03492	6.4
125.02451	15.0
125.03320	1.2
131.03484	1.4
143.03491	3.3
149.04562	1.3
152.01164	0.6
159.06674	1.9
160.01692	1.6
161.04579	7.2
167.73566	0.7
175.04095	1.3
179.05664	4.1
186.65193	0.7
301.03745	0.7
304.49677	0.7
331.17722	3.3
346.22192	0.7
373.18796	1.4
397.22592	0.9
415.23349	4.2
428.42740	0.7
433.24643	2.0
475.16187	1.6
475.22137	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	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27979	0.4
55.01885	0.6
57.03453	60.4
58.00589	0.5
58.03787	0.7
59.01384	100.0
60.01713	0.5
62.38631	0.4
69.03452	0.9
71.01390	20.3
71.05029	0.6
72.99296	0.6
73.02953	11.3
81.03455	2.3
83.01405	3.9
83.63652	0.5
84.08589	0.4
84.89811	0.4
85.02952	5.2
85.66871	0.5
87.00882	2.2
89.02451	17.0
92.01844	0.5
94.00980	0.4
95.01411	1.8
97.02964	0.9
97.99368	0.5
98.22648	0.9
99.00896	1.7
99.04525	56.8
100.04892	1.3
101.02448	27.2
101.06091	0.6
113.02458	11.0
113.06102	0.8
119.03505	6.4
123.04578	1.2
123.69308	0.5
125.02456	21.0
131.03539	1.0
133.01753	0.7
134.02477	4.2
141.05559	0.5
142.78427	0.5
143.03528	4.0
149.04648	1.6
161.04581	4.7
166.05197	0.5
169.03387	0.6
177.78612	0.4
179.05641	4.0
241.01515	0.5
271.19202	1.1
273.06442	1.0
299.04459	1.8
313.16544	0.8
314.06723	7.3
315.18018	0.6
327.18262	0.8
330.06281	1.2
331.17584	4.2
332.07791	1.4
343.18018	0.5
373.18555	2.5
413.21844	0.9
415.23401	3.9
433.24350	2.7
475.21490	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	78.6
58.03796	1.8
59.01382	100.0
61.98843	1.9
64.38176	1.1
69.58497	1.0
69.58871	4.6
71.01383	23.3
73.02953	18.8
75.00915	1.1
81.03465	2.1
83.01383	5.9
85.02953	10.3
86.00098	1.1
87.00877	2.8
89.02450	18.6
93.03462	2.9
95.01346	2.8
95.24828	1.1
97.06610	1.8
98.22594	1.6
99.04525	75.5
100.04945	1.3
100.86489	1.0
101.02450	42.6
109.06541	1.3
113.02456	15.2
113.06094	1.8
119.03526	9.2
123.04520	12.3
123.05280	1.5
124.04990	1.0
125.02457	35.4
131.03574	1.2
132.02170	3.6
132.16034	1.1
134.03780	4.2
141.05606	1.2
143.03543	5.2
149.04523	2.8
153.05650	2.9
160.01651	13.3
160.03865	1.2
161.02484	1.5
161.04544	8.6
173.04605	1.1
175.04016	13.4
179.05640	3.9
184.45561	1.1
191.05624	30.3
191.07338	1.7
193.05096	4.2
208.17497	1.2
221.06573	1.2
300.02740	2.1
313.16620	2.4
327.33505	1.2
331.17514	12.0
373.18588	1.9
415.23273	1.7
475.07318	1.9
475.16113	11.6
475.21658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65239	0.5
55.01884	1.2
57.03455	51.6
58.00603	0.5
59.01387	100.0
60.01721	1.1
60.67122	0.5
61.98846	1.1
69.82765	1.8
69.88047	0.5
71.01389	20.1
72.99354	0.6
73.02953	6.9
81.03466	2.4
83.01397	3.0
85.02958	6.1
85.21291	0.5
87.00887	1.7
87.04533	0.6
87.53660	0.6
89.02454	14.5
95.01404	2.9
99.00904	1.0
99.04531	44.8
100.04882	1.0
101.02457	24.4
101.06108	1.2
113.02454	11.0
119.03508	6.6
123.04588	0.7
125.02466	12.9
125.03333	1.0
131.03555	1.4
143.03517	2.7
149.04523	0.8
159.03104	0.7
161.04584	5.8
161.37697	0.6
179.05637	3.4
191.05727	2.2
213.14848	0.7
213.34795	0.6
271.19186	1.3
315.18207	1.4
331.17615	4.3
373.18790	2.1
397.22446	1.3
413.22064	0.7
415.23450	7.1
433.24402	5.4
439.22073	0.7
475.22006	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	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18434	31.6
55.13885	27.2
61.52431	26.0
69.20133	73.5
69.20542	100.0
78.95918	35.1
105.83878	36.8
111.57030	28.7
182.38268	29.0
190.83397	29.7
288.40118	34.2
321.88428	30.7
352.09998	30.3
361.31281	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18808	23.5
56.22023	22.8
57.13765	19.4
71.40061	25.9
88.80933	22.8
99.82885	20.4
147.10083	21.3
151.07594	29.5
164.62166	23.6
201.19716	22.6
277.21548	100.0
319.22781	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	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
57.03456	10.3
58.00609	0.5
59.01385	100.0
60.01708	0.8
61.98841	1.5
62.29466	0.4
69.03471	0.6
71.01389	24.4
71.05026	0.9
72.99316	0.5
73.02956	8.1
75.00878	0.7
81.03477	1.6
83.01397	3.4
85.02957	8.0
87.00880	2.6
87.04533	1.3
89.02457	14.3
95.01392	2.2
97.02982	0.5
98.21799	0.7
99.00894	2.3
99.04532	9.6
99.05183	0.6
101.02454	17.2
101.06079	1.8
108.02254	0.5
111.00892	0.8
113.02464	11.7
119.03518	5.0
119.16277	0.4
123.04583	0.5
123.08210	0.4
125.02464	4.1
131.03531	1.1
139.97899	0.4
143.03526	3.1
149.04597	0.8
158.46828	0.4
159.02995	0.8
161.02580	0.5
161.04587	7.2
175.04042	0.9
175.87428	0.4
179.05653	2.4
182.04715	0.4
199.02107	0.5
213.15062	0.7
253.18115	0.5
271.19315	1.5
287.95050	0.5
300.02625	0.6
315.18094	2.2
327.18243	2.1
331.17780	0.6
397.22189	2.2
415.23404	11.3
416.23911	0.8
433.24500	8.5
434.25171	0.7
475.25903	3.5
476.26340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
55.88200	0.4
57.03447	6.1
58.00596	1.1
59.01382	100.0
63.70585	0.4
69.19678	3.0
71.01385	27.9
71.05025	1.3
72.99313	1.0
73.02951	9.0
81.03466	2.2
83.01394	3.4
85.02953	8.9
87.00894	3.3
87.04533	2.1
89.02451	17.1
95.01376	2.3
97.02982	0.7
98.21909	1.1
99.00877	2.6
99.04533	6.9
101.02446	19.4
101.06099	2.8
108.02209	0.6
111.00920	1.2
113.02455	17.5
116.92878	0.5
119.03510	7.6
123.04600	0.6
125.02473	3.3
131.03561	1.9
143.03525	3.3
149.04576	1.5
151.00372	0.7
158.46144	0.7
161.04594	7.8
165.12822	0.5
175.03961	0.9
178.99858	0.8
179.05640	5.0
181.12398	0.7
182.04662	1.4
191.05609	0.7
213.15067	0.7
220.71693	0.5
225.04385	0.8
227.03493	0.5
240.20316	0.5
243.03036	1.8
255.03021	4.8
256.03448	0.6
256.21008	0.5
267.11475	1.1
271.02499	12.3
271.19266	2.0
272.03040	1.1
283.10977	1.5
295.11011	3.1
298.13367	1.5
300.02740	18.8
301.03381	2.8
315.18173	5.6
316.18698	0.8
327.18375	0.6
333.98434	0.5
343.17725	1.4
397.22244	0.8
401.50278	0.6
415.23398	13.7
416.23785	0.8
433.24500	10.9
434.24869	1.1
460.16537	1.2
475.08801	10.9
475.19290	2.3
476.09161	1.7
491.37399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03452	13.7
59.01383	100.0
60.01731	1.2
61.98832	2.0
65.51099	0.4
69.03469	0.7
69.19041	2.7
71.01386	23.2
71.05032	1.1
72.99335	0.6
73.02953	9.0
75.00880	0.9
81.03485	1.8
81.62373	0.4
83.01386	2.7
85.02954	8.1
87.00874	3.9
87.04534	1.2
89.02449	14.5
91.47008	0.4
95.01402	1.7
97.02983	0.9
99.00877	2.2
99.04530	11.2
101.02450	20.6
101.06112	1.6
108.02173	1.2
111.00919	1.2
113.02451	10.7
113.60244	0.4
117.03515	1.1
119.03519	4.7
119.05005	0.4
123.04556	1.5
125.02454	5.2
131.03535	1.4
135.03027	1.6
135.27769	0.5
137.02579	0.5
143.03535	3.5
143.05096	0.7
145.02954	3.9
147.11790	0.5
149.04593	1.0
152.01180	2.6
159.03029	1.1
161.04565	6.4
161.05667	0.5
165.01913	0.5
167.03474	3.4
175.04010	0.6
179.05679	1.7
182.04660	0.6
183.13904	0.5
191.05667	1.0
233.06767	0.5
255.03218	0.7
260.28864	0.4
271.02493	0.6
271.19162	2.4
275.23935	0.4
283.69357	0.4
293.08701	0.8
300.02954	0.5
307.08240	2.4
315.18210	1.6
327.18179	1.8
331.17792	2.0
345.19547	0.6
374.19067	0.6
397.22571	2.4
415.23361	13.7
416.23746	1.2
433.24405	10.0
434.24997	0.7
475.25735	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	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03452	3.8
58.00607	1.0
59.01384	100.0
60.01721	0.5
69.03460	0.5
71.01387	27.5
71.05043	0.6
71.44957	0.3
72.99317	0.9
73.02948	7.2
75.00922	0.4
81.03461	0.6
83.01385	2.3
85.02956	7.3
87.00884	2.5
87.04525	1.6
89.02451	24.8
95.01382	2.8
97.02973	0.9
99.00363	0.3
99.00876	2.2
99.04520	3.4
101.02451	18.0
101.06073	1.8
102.02747	0.3
111.00912	0.7
113.02462	16.5
114.02750	0.3
115.03989	0.6
119.03517	9.5
125.02454	2.4
125.09746	0.4
131.03531	1.1
134.03822	0.5
143.03519	3.5
147.11824	0.7
149.04498	1.9
151.00404	0.5
160.01663	0.5
161.02477	0.6
161.04562	7.4
163.04015	0.4
169.08696	0.4
175.04080	1.1
178.04924	0.7
179.05632	5.5
182.04620	0.9
191.05704	0.8
202.26991	0.3
224.69420	0.5
227.03728	0.4
243.02977	0.5
253.17915	0.4
255.03162	0.6
271.02582	1.0
271.19220	1.6
283.11060	0.6
298.13364	1.5
300.02795	2.2
301.03595	0.5
311.02750	0.4
315.18057	2.1
328.99426	0.4
343.17740	0.8
355.21463	1.2
387.07639	0.5
397.22385	0.8
415.23340	8.3
416.23184	0.5
433.24316	6.0
433.29294	0.4
434.24744	0.4
460.17026	0.8
475.08865	1.1
475.20117	0.4
475.29727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06276	0.3
57.03451	8.4
59.01385	100.0
60.01719	0.4
61.98834	0.7
69.34806	1.6
71.01385	3.2
73.02964	1.8
74.95534	0.3
83.01419	0.5
85.02973	1.2
87.00887	0.3
89.02450	2.9
99.04528	8.8
101.02455	4.3
113.02464	1.6
119.03530	1.1
125.02457	3.1
131.03535	0.4
143.03583	0.6
144.55882	0.3
161.04625	0.9
178.13609	0.3
179.05763	0.6
189.27666	0.4
191.05630	0.7
195.85190	0.3
239.43814	0.3
263.26016	0.4
331.17773	0.6
373.18762	0.5
475.21719	0.8
485.04501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03453	4.5
59.01384	100.0
60.01753	0.5
61.98837	2.3
69.44495	1.8
69.79414	0.5
71.01388	31.6
72.99322	0.9
73.02950	10.8
74.02489	1.3
75.00899	0.5
79.77336	0.5
81.03479	1.9
83.01394	3.2
84.66351	0.5
85.02957	10.7
86.00079	0.6
86.59534	0.5
87.00883	3.7
87.04531	1.6
89.02457	16.1
89.03026	0.9
95.01412	1.9
97.02950	1.4
99.00880	4.5
99.04528	3.6
101.02449	21.1
103.00318	0.6
111.00906	1.3
113.02465	12.7
115.04018	0.9
119.03528	5.5
125.02475	3.6
129.01944	0.6
131.03503	1.1
132.35307	0.5
134.03751	1.2
134.06152	3.0
135.03079	0.7
135.98395	0.6
137.02451	0.7
137.09660	0.6
138.05849	0.5
143.03552	2.3
145.04060	0.9
148.04117	1.7
149.02425	0.5
149.04597	1.8
155.10899	0.6
159.02939	1.2
160.01685	1.1
160.04059	0.7
161.04588	9.4
163.11284	3.5
164.11624	0.6
175.04091	1.2
179.05652	1.9
181.08617	0.5
183.62447	0.5
191.05698	0.8
193.05121	1.3
195.06279	0.5
216.98112	0.5
233.06686	0.8
243.47003	0.5
271.19342	1.7
274.53293	0.5
280.04398	0.5
293.08920	2.2
295.10925	4.1
315.18082	3.3
343.17667	0.8
379.21442	2.1
397.22491	1.5
415.23447	14.6
416.23831	1.1
433.24417	11.6
434.25122	0.9
439.22000	1.6
475.21286	2.8
475.26526	1.0
476.25116	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	476.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76833	0.5
55.01859	0.9
55.54442	0.5
57.03455	2.7
57.92223	0.5
59.01387	10.4
59.56046	0.5
61.98833	1.3
65.58807	0.5
70.23908	1.2
71.01395	8.4
73.02956	3.2
83.01369	1.6
85.02951	3.9
89.02449	2.1
95.89799	0.6
99.00849	1.1
99.04510	1.1
101.02448	6.8
104.27979	0.6
105.01889	0.5
113.02433	2.8
115.03993	0.5
122.02495	7.7
123.03280	4.0
125.02447	1.5
133.01703	33.4
135.00856	1.0
148.00429	10.6
148.04048	5.1
151.19740	0.6
159.03052	0.8
161.04575	4.4
167.02185	1.1
175.03909	0.6
182.04559	3.5
184.04034	2.2
208.02484	0.7
212.03577	2.5
213.01904	3.6
215.03531	1.3
228.02834	0.9
239.02309	2.1
240.03058	10.1
241.01440	2.2
241.03700	0.8
255.01804	2.3
255.05489	0.9
256.02444	2.7
258.04071	10.5
271.02518	1.0
271.04938	4.3
272.02847	1.8
273.06458	13.2
274.06973	0.6
283.01233	2.7
284.02002	19.5
285.02390	1.1
288.08780	2.9
298.03650	4.6
299.04367	75.2
300.05228	4.0
301.03094	4.4
309.39890	0.5
313.05887	0.8
314.06732	100.0
315.07092	6.3
332.07785	15.4
345.11026	5.2
356.07828	1.2
374.08813	0.7
461.09824	0.7
476.12323	4.3
477.15411	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	476.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.8
57.30270	0.6
58.00611	0.6
58.03790	1.2
59.01384	26.5
60.01712	0.7
69.03474	1.1
69.11024	4.3
71.01387	7.1
72.01713	0.7
73.02942	3.1
74.32071	0.6
79.40970	0.6
83.01393	1.3
85.02953	3.4
89.02440	4.0
95.01405	1.5
97.02947	1.1
99.00875	1.0
99.04521	7.6
100.04876	1.0
101.02446	6.4
108.02180	0.7
109.02967	1.1
113.02451	3.8
119.03517	1.3
122.02500	10.7
125.02440	3.1
126.02856	0.7
131.03529	0.8
133.01714	10.4
134.02495	85.3
135.00867	1.7
135.02834	1.8
137.04828	1.4
148.00429	10.8
161.04590	1.3
163.02763	1.0
178.05116	0.9
179.05714	1.0
184.04022	2.9
186.01990	1.1
196.06148	2.6
212.03545	3.0
213.01974	1.5
215.03459	1.1
222.04065	0.7
227.03575	1.1
228.03024	4.2
240.03011	5.7
241.01462	1.0
243.05312	1.2
254.04576	1.6
255.05351	2.2
256.02417	12.9
257.03287	0.7
258.04019	9.6
271.04898	6.6
272.05508	0.6
273.06400	8.2
274.07001	0.7
284.02002	3.3
286.07147	1.5
287.07858	1.0
288.08743	3.1
298.03622	1.1
299.04364	22.3
300.04681	1.0
312.08810	1.1
313.05917	1.1
314.06723	100.0
315.07092	6.4
330.06229	13.9
331.06851	1.4
332.07748	12.5
374.08765	1.7
476.12064	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	476.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85859	0.5
57.03456	2.5
57.82988	0.5
59.01381	8.1
61.98831	4.9
65.99834	1.2
71.01392	4.3
72.99294	0.6
73.02961	1.9
74.02486	1.4
78.42133	0.5
85.02943	1.4
89.02451	2.2
94.02954	0.7
98.21861	1.0
99.04533	2.0
101.02451	3.2
107.01371	1.1
108.02178	1.3
109.02985	0.6
113.02465	1.8
119.03483	0.6
122.02493	21.1
123.00912	0.6
123.03285	5.8
125.02438	1.7
133.01714	82.4
134.02045	2.0
135.00893	3.1
137.04814	0.9
148.04062	86.2
149.04449	2.8
161.04497	0.9
167.02196	0.6
167.03528	1.4
212.03508	4.0
213.01942	1.7
213.04156	0.7
215.03554	3.3
223.02710	0.8
230.04594	0.7
238.05226	0.8
240.03040	7.6
241.01576	0.9
241.03751	2.9
254.04655	0.8
255.05397	17.2
256.03531	0.9
256.05905	1.0
257.03531	0.6
258.04089	29.5
259.04446	1.4
264.90350	0.7
270.07718	5.7
271.04794	1.2
273.06458	42.7
274.06769	2.0
282.03983	0.8
284.02106	1.1
288.08795	41.7
289.09146	2.3
298.03375	0.7
298.77673	0.5
299.04361	15.5
300.04962	2.3
314.06738	100.0
315.07104	5.4
332.07547	1.4
333.15643	0.8
375.16461	0.7
461.09888	2.2
476.11844	7.7
476.25351	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	476.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14171	0.8
52.58825	0.8
52.67452	0.7
56.47021	0.7
59.01387	6.8
61.98834	30.4
71.01387	2.9
71.40971	0.9
75.01220	0.8
80.76157	0.8
87.00891	1.4
89.02443	2.8
99.00905	0.9
101.02480	0.9
121.02961	2.7
121.94560	0.7
122.03748	90.9
123.04025	1.0
123.04663	0.9
124.01660	2.9
136.01700	1.1
137.02452	5.8
137.06102	6.9
138.01917	1.8
154.02686	4.6
160.04074	2.2
161.04800	3.6
162.05673	1.9
163.04106	1.8
169.85637	0.8
176.07169	9.9
183.03043	0.9
203.14917	0.8
255.06694	2.1
283.95651	1.0
285.10104	1.8
290.31332	1.0
291.48563	0.9
300.12442	2.2
314.13998	100.0
315.14285	8.2
344.11423	2.4
476.18051	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.8
61.98835	100.0
69.14960	2.2
71.01372	0.5
105.78042	0.4
121.38071	0.3
132.84497	0.4
148.32976	0.4
370.61252	0.4
476.29581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25978	1.1
52.68962	1.2
78.95911	70.4
96.96960	3.5
98.21902	3.8
140.01193	5.2
152.99619	9.5
171.00650	8.9
194.59761	1.3
196.03806	13.2
201.29779	1.1
214.04831	3.1
274.06631	1.2
279.23312	100.0
280.23657	7.5
303.37411	1.3
476.27863	50.5
477.28317	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	476.2787
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.07637	0.3
51.30869	0.3
52.29873	0.3
72.47828	0.3
78.95912	5.4
98.22792	0.5
115.68932	0.3
140.01189	1.9
152.03467	0.3
152.99596	0.8
196.03778	0.8
214.04881	2.7
255.90352	0.4
261.22208	0.5
279.23306	100.0
280.23666	6.3
394.61200	0.4
476.27838	7.5
477.28058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2785
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
63.28943	0.4
70.46564	0.5
78.95914	100.0
91.54060	0.5
96.62657	0.4
96.96970	7.5
109.62044	0.5
120.35758	0.4
152.99614	14.4
171.00667	15.9
209.11891	1.0
249.56822	0.5
307.19437	0.6
316.17828	0.4
325.20294	0.5
402.24014	0.6
476.27863	48.6
477.28256	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	477.1044
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.65084	0.5
51.90425	0.4
57.03444	1.7
59.01387	9.0
61.98822	0.6
69.29395	2.8
71.01391	3.7
72.10104	0.5
73.02955	1.6
74.02482	0.6
83.05015	0.5
85.02963	1.6
89.02453	4.2
98.21891	1.1
99.00855	0.8
99.04546	1.2
101.02470	3.4
107.01411	0.5
113.02467	1.3
115.36680	0.5
119.03507	0.6
125.02460	1.7
149.04608	0.8
150.18733	0.5
151.00360	4.0
152.03543	0.6
153.01967	0.8
161.04581	0.8
165.00702	0.7
171.04550	0.8
175.04008	0.8
180.03009	0.9
189.01918	0.5
197.11836	1.6
199.04037	4.6
201.01935	1.6
203.03534	0.8
215.03551	3.7
225.01944	0.6
226.02687	0.8
227.03523	5.0
229.01390	0.9
239.51903	0.5
242.02245	8.8
243.03000	44.5
244.03355	1.9
255.03101	1.2
257.04568	12.5
258.05069	0.8
270.01730	12.7
271.02509	44.5
272.02768	2.2
283.02267	0.5
285.04068	21.2
286.04767	7.5
299.01984	9.3
300.02774	5.7
314.04361	42.5
315.05011	9.5
345.19031	0.6
357.06088	1.4
360.82297	0.5
477.10416	100.0
478.10736	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	477.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15520	24.5
69.35725	85.3
69.36135	57.9
73.95924	26.4
78.95904	100.0
88.70885	26.3
171.34467	26.2
184.00351	28.1
213.05614	40.0
343.88724	27.5
459.35764	31.8
478.29367	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1405
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
55.01873	0.6
57.03459	0.5
58.00594	0.4
59.01382	14.2
59.24835	0.3
61.98855	0.7
62.48436	0.3
69.03453	0.6
69.20115	1.9
71.01385	8.9
71.04991	0.4
73.02947	2.8
74.02486	2.0
79.80609	0.3
83.01393	1.0
85.02940	1.5
87.00901	0.5
89.02453	9.1
95.01408	0.4
99.00895	3.4
101.02448	6.5
105.03460	0.4
109.19628	0.3
113.02461	2.7
117.03468	1.1
119.03513	2.1
123.04536	0.8
125.02467	0.8
131.03490	0.7
132.02165	1.4
133.02966	27.0
134.03487	0.7
135.04527	11.9
149.04572	1.1
153.12840	0.3
159.40720	0.3
161.02454	100.0
162.02786	3.2
177.01909	0.6
177.05574	0.8
179.03499	2.4
179.10789	1.2
181.05052	0.3
191.05653	0.7
197.11838	14.2
198.12172	0.4
221.04544	0.7
241.10852	1.4
251.05753	0.5
253.09326	0.6
312.53769	0.4
315.10898	3.2
433.20624	0.4
477.13983	39.7
477.19971	22.2
478.14459	3.1
478.20309	1.2
478.25790	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	477.1618
Annotation	Scroside D
Peak:m/z	Relative Intensity
59.01384	44.8
59.82317	0.4
61.98828	1.1
69.22356	2.9
71.01387	19.2
73.02946	1.0
73.98412	0.5
83.01397	1.3
85.02947	3.1
87.00897	0.6
89.02454	23.2
95.01387	1.1
96.96029	0.9
99.00840	0.5
101.02451	14.9
113.02463	7.4
119.03504	9.7
120.03848	0.5
123.04497	2.2
124.61784	0.5
131.03464	0.8
135.04536	38.2
136.04915	1.0
143.03453	0.7
149.04510	0.6
153.05641	2.3
159.78500	0.4
161.04636	0.6
179.05606	1.0
224.62544	0.5
225.77521	0.5
232.86037	0.5
310.19553	0.6
315.10873	100.0
316.11166	5.8
418.10205	0.8
477.16302	6.8
478.16275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47993	0.5
57.36638	0.4
59.01385	37.7
60.91795	0.5
61.98813	1.2
66.20164	0.5
69.31474	2.7
71.01387	16.4
73.02944	0.6
75.63950	0.4
83.01373	1.1
85.02955	3.9
88.12909	0.6
89.02452	20.5
95.01402	1.3
96.96031	0.9
101.02448	13.0
111.63752	0.5
113.02466	8.5
116.30084	0.5
119.03518	8.7
123.04552	1.2
135.04538	33.4
136.04865	1.1
143.03502	0.6
149.04559	0.7
150.63675	0.4
153.05585	1.6
154.38654	0.5
174.79820	0.5
179.05606	1.3
275.54398	0.5
315.10873	100.0
316.11130	6.4
418.10291	1.1
477.16281	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	477.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20118	0.4
56.34908	0.4
59.01385	2.5
61.98827	1.8
65.55236	0.5
69.12181	0.4
69.42001	0.4
71.01377	0.6
71.42632	0.4
75.77366	0.4
78.69674	0.4
78.70113	0.5
78.95912	60.0
87.00886	0.7
96.96970	7.1
97.03065	0.4
132.52684	0.4
150.98030	1.7
151.07585	0.4
152.99603	100.0
153.99913	1.0
169.66753	0.4
171.00656	5.7
174.06866	0.4
179.48647	0.4
209.11905	1.2
215.07164	0.4
260.10379	0.5
477.18979	11.0
477.25671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
57.03441	1.3
59.01388	100.0
60.01717	1.6
60.49876	1.2
61.98809	1.7
71.01394	16.7
71.42104	1.3
73.02947	8.6
78.95907	6.7
83.01395	1.9
84.19575	1.4
85.02950	7.1
88.98812	1.3
89.02451	9.3
92.21591	1.2
95.01414	1.9
96.96023	12.6
96.96969	11.7
99.00887	2.9
99.04524	1.8
101.02444	11.7
111.00915	1.2
113.02457	7.2
119.03501	3.8
121.02956	14.3
133.05087	4.6
138.02023	6.4
138.05618	4.9
143.03452	1.5
149.04572	1.9
156.98109	1.6
157.05174	1.7
159.03113	2.4
161.04568	18.6
166.06371	76.7
167.06665	3.4
174.46423	1.2
179.05669	1.7
181.08725	99.4
182.08998	3.6
201.48114	1.2
235.08270	10.2
241.81441	1.2
345.08691	1.6
417.17404	6.1
477.12854	4.3
477.18967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04076	1.6
53.02393	1.4
57.03456	4.4
58.90900	1.3
59.01384	100.0
60.01716	1.4
61.98835	4.3
69.03454	6.5
69.40069	4.6
71.01387	62.3
73.02960	15.9
75.00878	4.1
78.46265	1.5
81.03465	3.0
83.01395	4.4
85.02950	13.7
87.00883	4.0
87.04568	2.0
88.00844	1.6
89.02451	75.7
95.01373	1.8
97.02963	9.2
99.00880	16.0
99.04536	2.7
101.02461	27.4
103.03983	1.9
111.00935	3.0
113.02457	11.1
115.04034	6.5
118.02972	8.3
119.03482	7.0
121.10265	2.6
123.04615	1.9
125.02457	27.8
131.03517	11.4
132.32924	1.6
143.03528	3.8
149.04564	14.5
153.01955	2.5
153.70503	1.5
161.04596	5.3
163.04079	1.9
163.06207	3.8
172.09747	2.2
174.03291	3.3
175.04021	2.1
175.11368	2.3
180.03082	4.0
183.10284	28.6
191.05565	8.0
202.06445	2.8
203.07135	5.0
205.07236	2.2
207.10431	1.8
217.05116	2.2
225.04379	3.0
233.06689	22.2
234.07108	1.6
246.08981	2.8
284.05792	3.0
293.08820	31.7
294.09326	2.9
297.17004	4.2
302.10364	4.2
316.04599	2.5
316.08255	4.9
322.96173	1.8
331.17938	1.8
346.08963	1.6
409.14871	2.2
439.21777	5.9
442.44757	1.6
446.22186	1.7
477.09540	2.0
477.19214	11.0
477.24448	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03428	2.1
58.00583	0.7
59.01384	42.8
60.01716	0.5
61.98842	0.6
69.03436	1.1
71.01388	26.9
72.01696	0.6
73.02951	14.2
76.16290	0.5
83.01388	2.0
85.02956	4.7
87.00869	1.3
89.02453	38.2
90.98595	0.9
91.40509	0.5
93.57795	0.5
95.01383	1.0
97.02924	0.9
99.00889	28.1
99.04512	1.7
100.01221	0.9
101.01797	1.0
101.02454	17.3
102.75826	0.5
103.04086	0.5
105.06509	0.5
113.02454	5.5
115.04041	0.8
118.98052	0.5
119.03516	2.7
121.03023	0.6
121.10231	1.2
125.02444	2.2
131.03522	4.4
137.99254	0.5
147.04486	0.5
149.04567	7.6
161.02472	0.7
161.04588	2.5
161.05716	0.5
163.06096	0.9
165.09178	2.0
168.43758	0.5
177.01915	3.1
179.05566	0.9
183.10188	0.8
191.05623	7.5
193.05098	0.8
197.11917	2.6
205.07111	0.6
213.01930	1.4
283.01205	0.7
284.02094	1.2
284.05231	0.6
297.17044	1.1
316.04855	1.0
345.15405	1.3
446.07126	2.1
457.89804	0.6
475.38440	0.5
477.19696	100.0
478.09741	1.1
478.20038	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
56.16274	0.8
57.03446	2.8
58.91708	0.8
59.01080	1.7
59.01384	32.7
61.98825	2.6
68.87003	0.8
69.03467	2.0
71.01392	16.9
71.05016	1.7
73.02958	6.8
74.02495	9.6
83.01400	1.9
85.02953	6.9
87.00874	1.4
89.02448	17.8
95.01394	1.3
99.00893	7.4
99.04521	1.6
101.02448	13.2
113.02466	6.0
119.03504	2.9
123.04533	1.1
125.09704	2.4
131.03551	1.0
132.02170	1.4
133.02977	24.9
135.04530	11.8
143.03445	1.0
149.04550	2.9
151.11253	1.5
153.12816	1.0
161.02460	100.0
161.04602	3.0
161.09744	1.9
162.02824	4.1
177.02016	1.4
177.05569	1.7
179.03485	2.3
179.10770	5.7
191.05501	1.2
197.11850	65.6
198.12199	2.9
217.77037	0.8
223.09714	1.1
241.10847	5.3
253.09247	4.4
315.10803	3.1
322.17896	1.1
459.18005	0.9
477.13818	34.3
477.19867	93.4
478.14032	3.6
478.20169	7.0
478.26654	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03460	5.0
57.74442	0.6
59.01387	27.4
61.98843	11.1
69.03464	3.6
71.01389	16.2
71.05043	1.8
73.02964	6.3
74.02482	7.2
75.00873	1.4
76.14634	0.7
83.01411	1.8
83.05051	1.0
85.02953	4.8
87.00906	2.3
89.02461	12.7
90.98609	2.2
96.36022	0.8
97.02988	0.9
97.06600	0.7
99.00912	2.3
99.04530	2.8
101.02457	10.9
113.02462	4.9
119.03514	1.5
125.02441	2.0
125.09770	1.9
129.19545	0.7
131.03537	2.0
149.04587	4.0
151.11307	1.6
153.12907	1.9
160.01672	1.0
161.04663	3.8
161.05798	1.2
161.09741	2.4
165.05524	1.5
175.04053	1.3
179.05669	1.4
179.10791	7.2
181.05064	1.6
191.05690	1.0
195.06627	1.2
195.51053	0.7
197.11850	100.0
198.12175	4.2
199.37984	0.8
212.71954	0.7
215.03439	1.0
223.09731	1.4
241.10861	10.6
242.02242	1.4
243.02971	6.8
253.09186	4.1
257.04611	2.0
264.18277	0.8
270.01755	2.2
271.02472	6.8
285.04071	4.2
301.03418	0.7
314.04330	6.9
315.04916	1.8
315.18228	0.9
345.10962	1.6
431.19415	1.5
459.17850	0.9
464.98727	0.9
477.10257	12.7
477.19714	96.3
478.11148	1.8
478.19891	11.8
478.26633	10.4
484.52765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
57.03453	74.0
57.91621	0.8
59.01384	100.0
60.99303	1.0
61.98841	3.5
63.58883	0.8
69.03458	1.6
69.09478	6.7
71.01386	45.7
71.01785	2.2
72.99313	2.0
73.02956	17.4
75.00893	1.0
78.95930	0.9
81.03479	1.7
81.69112	0.8
83.01392	5.4
83.05006	0.9
85.02957	19.5
87.00901	2.4
88.98812	3.5
89.02451	20.2
95.01398	2.8
97.02969	3.4
98.22624	2.2
99.00881	5.8
99.04527	61.5
101.02448	47.0
111.00944	1.9
113.02465	17.4
116.01486	1.0
119.03497	3.7
125.02454	23.0
131.03468	1.5
136.02055	5.2
143.03497	4.4
149.04559	1.8
159.03004	3.3
161.04567	20.6
179.05685	2.4
191.05655	1.2
202.03134	1.5
204.17180	0.9
210.26878	0.9
224.03542	3.6
233.06676	3.1
243.03511	1.0
244.04167	22.8
282.25269	0.9
315.18146	2.2
316.06302	17.4
333.19235	22.3
334.19534	1.4
345.13507	12.0
353.31296	0.9
375.20212	2.1
477.17499	15.1
477.23380	1.6
477.32791	1.7
478.18063	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	477.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03455	46.6
59.01384	63.7
60.23428	0.8
61.98837	100.0
63.96356	0.7
65.11512	0.8
69.51353	2.9
71.01387	15.5
72.99279	1.0
73.02959	4.9
81.03498	0.9
83.01408	2.6
85.02962	7.0
87.00876	1.1
89.02454	8.7
95.01400	1.3
95.45316	0.8
99.00895	3.5
99.04530	41.5
101.02456	19.2
113.02483	5.0
119.03473	1.7
125.02465	14.1
131.03488	1.0
134.06131	1.1
143.03484	1.7
149.04564	4.0
161.04582	5.3
210.42337	0.8
256.63669	0.9
295.10809	1.5
297.11621	1.4
333.19247	15.3
334.19583	1.0
345.18478	0.9
375.20309	1.3
420.38815	0.9
445.21558	1.0
477.17435	9.3
477.24585	6.6
481.32507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73899	0.9
55.01877	1.0
57.03453	100.0
57.92877	0.8
58.03790	0.9
58.42455	0.8
59.01385	78.7
61.98824	1.6
62.24707	0.8
69.03452	1.3
69.17009	4.8
71.01385	27.5
73.02955	38.8
75.00882	2.0
76.20078	0.9
79.05513	2.2
81.03473	3.8
82.37707	0.8
83.01394	10.8
85.02962	7.6
87.00853	1.2
89.02456	16.0
95.01394	1.6
95.05030	2.4
96.70785	0.7
97.02962	1.0
97.06573	2.1
99.00938	1.0
99.04529	81.8
100.04841	1.5
101.02451	52.2
109.06607	1.7
113.02456	21.8
113.06091	4.4
119.03533	6.9
123.04543	25.4
125.02461	34.4
131.03535	4.1
131.98328	0.7
141.05626	3.8
143.03506	6.3
143.47743	0.8
149.04556	4.6
152.99579	1.5
153.05540	2.8
161.04573	14.9
179.05617	3.2
182.63580	0.8
203.05675	0.9
221.06604	0.8
237.23299	0.9
269.03320	4.8
284.05579	3.5
316.08282	3.0
323.09854	0.8
477.23880	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	478.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04182	0.6
57.03495	2.9
59.01389	17.2
61.98841	9.7
65.99857	3.2
71.01383	8.0
72.99370	0.7
73.02956	3.2
83.01452	1.0
84.04869	0.6
85.02969	3.3
87.00945	1.1
89.02458	6.3
97.03004	0.7
99.00861	3.4
99.04620	2.1
101.02447	4.8
113.02537	2.3
117.03516	1.4
119.03545	1.0
123.04617	0.9
124.04114	1.3
125.00684	0.6
125.02510	1.3
130.06303	0.8
131.03593	1.3
135.04584	1.2
140.43399	0.7
145.03033	2.5
146.02551	1.0
149.04625	2.2
151.28766	0.6
155.03836	1.8
160.01826	0.6
160.04076	12.2
161.04631	2.3
162.02034	2.0
169.03024	0.9
170.02565	1.0
171.01836	0.6
171.03270	13.6
171.04639	1.1
172.04071	3.4
176.01196	0.7
183.03343	2.9
183.10365	1.1
184.04050	19.9
185.02536	2.4
186.01978	9.5
186.03300	0.9
187.02632	1.9
188.03551	7.9
188.05109	0.7
198.02051	0.8
199.02751	12.3
199.04338	1.0
200.03415	0.9
206.04778	1.0
211.02777	1.8
211.08096	2.1
212.03539	25.0
213.01971	8.8
213.03824	0.7
214.01500	1.0
216.03059	12.4
224.48399	0.6
227.02260	1.0
228.03062	9.3
229.09135	3.0
230.04645	1.0
240.03047	9.7
255.01665	3.7
256.02521	6.3
257.03351	1.1
270.04095	1.6
272.05627	1.1
283.01248	31.2
284.02029	46.8
285.02405	2.7
298.03561	2.4
302.03085	2.1
316.04642	100.0
317.04999	5.6
342.58270	0.8
345.05869	1.1
388.12320	0.7
446.07324	22.0
447.07816	1.9
464.92349	0.7
477.19171	1.0
478.09818	25.3
478.20325	3.3
479.10388	1.7
479.25317	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	478.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14631	0.4
57.03452	1.2
59.01387	7.6
61.98833	11.6
65.99857	3.3
69.24362	2.5
71.01387	4.6
73.02948	1.3
80.34325	0.5
82.00574	0.4
83.01378	0.7
85.02950	1.5
87.00889	1.0
89.02455	3.7
97.02972	0.6
99.00895	1.3
99.04516	0.7
101.02437	3.3
107.64528	0.5
111.00885	1.9
112.93961	0.5
113.02419	1.3
116.92878	9.3
117.03468	2.8
119.03514	0.5
125.02494	0.7
131.03593	0.7
134.02478	0.8
135.04547	0.9
136.98807	0.7
141.03519	0.8
145.02969	3.4
146.02489	1.3
149.04549	1.1
151.84933	0.5
156.04631	0.5
157.02939	1.2
160.01910	0.5
160.04048	12.1
161.02443	0.8
161.04510	1.7
162.02000	2.1
168.04718	0.5
169.02916	1.2
170.02451	1.1
171.03271	2.4
172.04034	3.9
183.00691	0.6
183.03241	1.4
184.04045	24.7
185.02467	2.4
185.04182	0.7
186.01967	3.8
188.03534	9.5
199.02805	2.1
200.03545	0.7
206.04707	0.9
211.02779	2.3
212.03546	31.9
213.01971	11.8
213.03870	1.1
214.01541	0.8
214.05110	1.0
216.03023	14.6
226.96504	0.8
228.03030	11.5
229.03407	0.6
230.04637	1.9
238.01419	0.7
240.03030	15.5
241.03516	1.1
255.01714	0.7
256.02545	6.7
257.03320	0.8
258.04095	2.0
270.04062	0.9
283.01291	6.1
284.02020	54.4
285.02310	2.1
294.09470	0.6
298.03693	3.0
302.03088	15.6
303.03201	0.7
316.04633	100.0
317.04892	4.9
317.19659	0.7
403.10034	1.0
446.07217	2.7
478.09830	12.5
479.09360	2.3
479.25452	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	478.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01120	0.9
59.01383	9.7
60.01737	0.9
61.98837	16.9
62.17340	0.7
65.99855	2.1
69.23515	4.2
71.01384	5.9
73.02948	3.1
75.92437	0.7
85.02950	1.7
89.02461	5.4
98.22636	1.2
99.00880	2.3
100.01206	0.7
101.02457	3.6
113.02477	1.5
118.03001	100.0
119.03345	3.3
123.03281	1.3
124.04101	0.8
125.02501	0.7
149.01186	7.6
149.04529	1.5
161.04605	0.8
180.03021	2.1
181.03828	1.0
184.04028	1.0
186.01990	0.8
191.05606	1.7
198.03210	2.0
203.83461	0.6
211.02846	0.7
212.03598	1.4
213.01982	1.1
224.03523	0.9
225.04305	16.4
226.02672	3.9
228.02953	0.8
237.99130	0.6
240.06729	3.5
243.05493	0.9
258.07681	1.6
269.03333	17.5
269.06497	0.7
270.03625	1.0
272.09109	0.8
284.02109	4.7
284.05667	42.3
284.08963	1.8
285.05920	1.9
301.05908	1.4
302.10440	2.9
316.04691	6.3
316.08231	51.0
317.08533	3.4
440.22058	1.6
477.20035	1.4
478.09674	2.0
478.19937	14.2
479.25311	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	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.8
58.03795	0.4
59.01384	8.5
61.98833	100.0
67.37926	0.3
69.37571	0.9
69.37965	0.6
71.01390	3.7
73.02954	1.3
81.36304	0.3
83.01410	0.7
84.53811	0.3
85.02982	1.5
87.00900	0.5
89.00634	0.3
89.02431	1.6
97.56122	0.3
99.00892	0.6
99.04523	3.7
100.04875	0.9
101.02441	4.0
105.02049	0.4
113.02477	1.2
119.03500	0.3
125.02480	1.5
129.40587	0.3
131.03474	0.4
143.03531	0.4
149.04509	0.5
160.04079	0.4
161.04558	1.0
212.03577	0.5
240.03172	0.4
294.09396	0.4
333.19379	0.8
334.19672	1.1
347.17120	4.4
478.09918	0.8
478.18292	0.6
478.24411	0.5
479.21497	3.3
479.26276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77327	0.3
54.11619	0.3
57.03454	6.5
58.03799	0.9
59.01384	11.2
60.01718	0.6
61.01795	0.3
61.98835	100.0
69.51394	0.3
69.51723	1.3
71.01384	4.1
73.02960	1.3
78.55701	0.3
83.01403	0.9
85.02971	1.7
85.07664	0.3
87.00928	0.5
89.02445	2.3
97.02985	0.4
99.00895	0.8
99.04531	6.2
100.04890	1.7
101.02456	4.6
101.13429	0.3
102.02741	0.4
113.02464	1.5
115.62970	0.3
125.02464	1.9
126.02814	0.6
126.39668	0.3
149.04581	0.7
160.04036	0.3
161.04591	1.2
168.30695	0.3
191.05577	0.4
269.96399	0.3
273.90829	0.3
309.08133	0.4
333.19254	0.6
334.19482	1.6
345.06033	0.8
347.17108	3.4
438.90161	0.4
446.07510	0.4
478.09610	0.6
478.24240	0.9
479.21301	2.8
479.25873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
74.73270	1.8
98.41759	2.0
102.74494	2.0
108.94077	2.1
118.14176	2.3
188.49600	2.3
225.84206	2.1
484.69849	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	478.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01383	2.5
61.98838	100.0
64.27029	0.8
71.01389	1.2
87.00890	2.4
98.21821	2.1
107.05046	1.9
107.85669	0.9
152.99615	2.3
171.10196	1.0
218.09517	0.9
346.09158	1.3
392.92511	1.0
442.14896	1.0
447.16641	1.1
479.19397	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	478.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40981	0.4
59.01384	100.0
60.01718	0.9
61.98836	26.5
63.99268	0.5
67.06660	0.4
67.97642	0.4
69.49294	1.6
69.83228	0.4
71.01395	2.6
73.02966	1.5
74.99117	0.8
80.69686	0.3
82.39944	0.4
85.02968	1.5
87.00902	1.0
87.64578	0.4
89.02437	2.8
96.12437	0.4
96.96043	0.5
101.02465	1.5
108.16171	0.4
113.02510	1.7
123.04530	0.9
125.87340	0.4
135.04567	1.3
136.07698	1.2
138.02014	0.8
138.05653	1.1
149.02477	0.6
149.04550	0.5
151.04070	0.6
152.00836	0.6
154.08740	1.1
161.04604	0.8
162.05659	0.5
164.03506	2.1
166.99922	1.3
168.00272	1.2
169.01366	0.4
182.02344	0.7
183.02608	0.5
198.07805	0.5
271.10800	0.7
315.10229	0.6
419.14374	0.5
478.13159	1.9
478.17752	1.0
478.25040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23036	0.3
56.50322	0.3
57.03453	0.3
59.01080	0.5
59.01388	9.2
61.98830	0.5
63.53489	0.3
67.08947	0.3
71.01384	4.5
71.98696	0.3
72.99303	0.3
73.02952	1.1
77.03973	0.9
83.08315	0.3
85.02953	1.0
87.00882	0.4
89.02457	5.1
98.21766	0.4
99.00874	0.8
101.02463	2.6
103.04284	0.4
108.02222	0.4
111.00912	0.7
113.02470	1.0
116.05016	0.4
118.06647	10.5
119.03522	0.9
119.06940	0.5
131.03529	0.9
136.04062	4.0
138.01999	1.1
149.04556	2.0
161.04597	0.8
162.05629	100.0
163.05943	3.7
173.58429	0.3
178.05141	0.4
179.05678	0.6
191.05618	0.8
194.04578	0.5
281.09344	0.9
286.01648	0.4
287.09399	0.8
299.10388	3.1
317.10263	0.8
347.16953	0.5
442.34161	0.3
448.07129	0.5
461.21146	0.4
479.15607	1.8
479.21771	1.2
480.10031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28301	1.6
59.01369	3.1
65.59818	1.7
67.01896	11.7
69.06175	10.4
72.65596	1.6
78.95925	5.9
80.02688	1.8
83.05003	1.7
85.02962	3.7
87.27162	2.0
94.95959	1.9
95.05064	2.0
96.96023	2.5
100.05133	1.7
107.05077	2.9
111.00890	100.0
112.01243	2.2
123.04559	6.9
125.09737	4.8
125.90430	1.8
140.33534	1.7
152.99617	6.5
153.09186	3.1
154.99971	3.7
162.83934	9.0
185.11815	5.3
197.11752	4.1
203.10922	3.0
207.10342	3.0
209.11856	21.0
225.11137	3.9
293.13931	1.9
305.17606	35.5
306.17975	2.2
311.22260	3.2
323.18643	8.0
329.21143	3.2
337.73624	1.9
373.20050	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	479.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05202	0.3
57.03455	0.5
59.01383	3.0
61.98826	0.9
62.96387	0.3
71.01386	2.0
73.02947	0.8
78.95912	64.4
81.36751	0.2
83.05013	0.3
85.02955	0.9
87.00866	0.7
89.02442	1.6
96.96973	6.6
99.00900	0.4
101.02468	1.4
105.05247	0.2
113.02464	0.6
116.37015	0.2
121.66788	0.2
125.02495	0.3
131.03574	0.3
145.15146	0.2
149.04648	0.5
150.98027	1.8
152.99612	100.0
153.99965	1.1
161.04636	0.5
171.00670	4.5
180.77023	0.2
197.11864	0.4
199.94771	0.2
207.56963	0.3
209.11874	0.8
307.19061	0.4
335.22388	1.2
347.15173	0.4
461.19647	0.4
479.20514	14.5
480.20828	0.9
486.55945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03455	73.6
59.01387	100.0
60.01725	1.8
60.77488	1.2
61.98836	11.3
69.03440	1.6
69.23724	5.0
69.24136	2.0
71.01383	40.5
72.99287	1.5
73.02959	33.7
75.00887	1.4
81.03464	2.6
83.01384	9.1
85.02949	11.8
87.00880	2.6
89.02456	40.6
90.18368	1.3
95.01399	3.0
97.06601	1.7
98.21877	2.6
99.00903	5.5
99.04533	61.2
101.02459	58.1
111.00912	8.0
113.02457	18.3
113.06110	2.3
118.34702	1.2
119.03527	9.6
123.04547	12.8
125.02469	29.4
131.03526	4.9
135.04541	5.6
141.05580	3.1
143.03510	8.8
149.04568	13.4
153.05579	3.2
160.04031	8.0
161.02512	9.3
161.04585	16.1
162.05632	3.1
165.05588	1.6
178.05042	1.4
179.03529	3.1
179.05667	10.0
191.05658	3.0
195.68649	1.3
204.03001	1.2
220.06226	4.4
221.06749	4.3
242.04700	1.9
255.11488	1.7
269.12970	1.6
279.12427	1.5
286.03592	1.9
299.10458	2.9
299.18805	1.6
305.15744	1.4
307.13943	1.7
317.15982	2.4
318.06039	1.7
323.07895	4.2
335.17200	2.3
347.17117	4.6
366.08347	3.0
377.18594	1.6
389.13461	1.7
423.59726	1.5
435.09457	5.9
437.20383	1.4
443.12335	1.6
479.20316	18.6
480.21436	2.1
480.27573	1.5
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
55.01850	1.1
57.03456	3.6
59.01388	19.6
61.98806	2.4
61.99091	0.6
71.01038	0.9
71.01390	11.4
71.05004	2.5
71.42332	0.7
72.99292	0.7
73.02947	3.6
83.01368	2.0
83.04998	0.6
85.02965	4.2
85.76740	0.5
87.00875	1.4
89.02462	7.8
95.01392	0.7
97.02951	4.5
97.06600	3.1
99.00883	20.5
99.04472	2.1
99.92577	1.6
100.93356	0.7
101.01913	0.6
101.02457	8.4
109.06578	0.9
110.03703	1.9
111.00802	0.7
113.02441	5.6
115.00373	0.7
115.92068	0.8
116.92122	1.0
116.92872	13.9
117.92797	0.6
119.03473	1.5
123.04508	0.6
123.08140	0.9
125.02409	1.3
125.09746	6.3
125.11984	0.5
131.03523	0.8
134.02454	1.0
135.04488	1.8
143.03519	0.6
149.04579	1.0
152.00961	0.6
160.04019	1.1
161.04578	3.9
163.10056	0.6
163.11304	9.4
173.08073	0.6
174.03163	1.1
179.05659	0.9
181.12361	19.2
182.12666	1.0
195.76482	0.5
197.11769	1.3
199.11687	0.9
199.13402	14.2
200.13681	0.8
202.06407	1.0
203.07071	2.3
207.10286	29.6
208.10574	0.5
213.03706	0.9
225.11345	49.9
226.11549	2.2
226.96513	1.2
229.08516	0.7
243.12383	33.8
244.12694	1.1
246.08893	2.0
247.09608	1.1
253.09303	3.4
274.13861	0.6
284.01758	0.7
285.02228	2.5
299.18497	2.3
316.04388	1.3
317.04865	2.9
317.15924	0.9
317.19492	0.8
347.16959	0.9
364.18274	0.6
365.12561	0.7
409.14804	1.3
448.08615	1.0
479.21066	100.0
480.09244	0.9
480.21500	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	479.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.4
57.03465	1.1
59.01385	86.3
69.03481	1.9
69.16142	5.6
71.01389	60.0
71.05019	1.1
72.99326	13.6
73.02950	30.2
75.00885	2.1
83.01392	2.5
83.05026	1.2
85.02950	7.7
85.03372	0.9
87.00896	1.7
89.02454	100.0
90.02833	1.3
95.01374	1.5
97.02966	2.3
97.06605	5.8
98.21859	1.4
99.00891	28.2
99.04527	1.4
101.02451	38.3
109.02965	2.3
111.00903	2.1
113.02454	11.9
115.04033	2.2
119.03519	9.5
125.02463	6.9
128.90903	0.8
131.03523	20.2
135.04633	1.1
140.48421	0.9
143.03522	3.1
149.04575	69.1
149.09726	3.3
149.68941	0.9
153.01941	5.3
154.02328	1.7
160.04059	1.7
161.04526	4.9
167.10800	5.2
178.05090	1.1
179.05627	3.1
189.37941	0.9
191.05646	15.5
221.06700	3.0
233.06731	3.3
251.02847	1.0
251.07770	6.1
268.72052	1.0
287.19861	0.9
293.08896	5.0
347.17117	3.1
405.21484	1.1
479.21561	18.7
480.21939	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	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24409	0.6
52.91825	0.6
57.03453	4.1
59.01385	15.6
61.98830	2.5
69.09329	2.6
69.09750	2.2
71.01387	8.0
71.05022	1.5
73.02946	2.5
78.95905	4.9
80.96530	1.1
83.01386	1.6
85.02947	2.4
87.00882	4.3
89.02451	6.2
96.96001	1.8
97.02957	3.0
97.06582	1.8
99.00891	10.3
99.04541	2.4
101.02457	9.5
102.02788	0.8
109.06596	1.0
113.02464	3.2
119.03504	1.8
123.04574	1.0
123.08134	0.8
125.02425	1.7
125.09723	4.6
127.11371	0.8
130.99855	1.0
131.15604	0.8
152.99617	7.7
161.04553	3.0
163.11298	5.0
173.05952	1.0
179.05623	0.8
181.12343	11.7
182.12708	1.0
197.11920	0.7
199.13409	23.9
207.10284	22.4
217.08708	0.7
218.09505	0.9
221.93535	0.7
225.11357	48.4
226.11732	2.1
243.12383	15.9
244.12639	0.7
253.09276	5.3
292.85373	0.8
322.03714	1.1
372.30374	0.8
447.04504	1.0
447.16574	1.7
461.14685	1.1
461.20367	9.6
464.03589	1.0
479.21365	100.0
480.21808	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	479.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15437	0.6
55.01850	1.1
57.03447	4.0
59.01385	18.0
61.98830	1.1
69.11992	4.7
69.53440	0.7
71.00998	0.5
71.01386	11.1
71.05010	2.8
71.19833	0.6
73.02958	3.4
83.01362	1.0
83.05006	1.1
85.02959	3.2
87.00882	1.6
89.02458	7.2
95.05030	0.6
95.66768	0.7
97.02943	3.5
97.06573	2.8
98.53988	0.7
99.00291	1.3
99.00893	16.3
99.04512	1.9
101.01900	0.8
101.02455	9.6
109.06576	0.9
110.03709	1.3
113.02446	3.8
116.92899	3.8
119.03481	1.6
123.08097	0.8
125.02407	1.9
125.09725	5.5
130.59804	0.6
133.96217	0.6
134.02448	2.4
135.04485	1.2
135.08069	1.0
155.14395	1.0
160.03952	0.8
161.04497	2.9
163.00377	1.5
163.11296	7.5
168.02649	0.7
181.12360	18.7
182.12642	1.1
185.04276	1.1
199.11705	0.9
199.13420	12.8
203.07170	0.7
207.10275	24.8
208.10544	0.9
208.58318	0.8
225.11343	43.0
226.11555	2.2
241.03410	0.9
243.12378	31.5
244.12579	0.7
248.01678	0.7
253.09235	2.6
285.02380	0.7
286.03708	0.8
299.18307	1.0
316.04239	0.9
317.04758	2.2
317.15869	1.7
317.19446	1.3
323.10184	0.8
347.16959	1.3
349.63269	0.6
363.43677	0.7
443.15164	0.7
448.08398	1.3
456.23129	0.8
479.21078	100.0
480.21332	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	479.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03451	20.5
58.00582	1.0
59.01385	45.0
61.98819	2.8
66.31882	0.6
69.03449	0.9
71.01387	22.7
71.04955	0.8
72.99322	3.7
73.02957	9.9
75.00871	1.6
78.31551	0.8
80.92471	0.7
81.03449	1.0
82.84782	0.8
83.01403	3.9
85.02963	11.3
87.00898	2.1
89.02451	14.8
95.01363	1.3
96.96023	1.1
97.02925	1.7
99.00886	2.7
99.04523	15.9
99.92593	11.7
100.93346	5.1
101.01794	1.5
101.02451	21.2
109.06631	0.7
111.00828	1.7
113.02453	9.1
114.94934	2.1
115.07649	0.9
115.92096	5.1
116.92868	100.0
117.92915	4.5
119.03508	5.0
123.04523	2.7
125.02471	6.6
131.03519	1.8
135.04459	1.2
138.98642	1.1
140.96555	1.4
143.03540	1.7
147.00870	1.3
149.04567	1.5
158.93900	2.1
160.04027	4.6
161.04547	5.5
162.03233	0.7
176.60059	0.8
178.05109	4.0
179.05620	2.5
181.05025	0.7
182.97572	2.0
183.94615	0.7
184.95541	0.8
191.05670	0.8
211.07938	1.6
226.96521	11.1
229.08960	1.4
229.81003	0.7
285.02045	0.9
293.09030	1.3
299.09378	2.7
299.18628	3.4
317.16339	1.7
317.19794	6.3
326.97864	0.8
335.17102	1.7
347.17023	2.3
411.16888	1.3
443.06516	3.8
461.23950	4.7
479.08957	17.4
479.25153	94.5
480.08862	2.0
480.25565	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	479.2503
Annotation	glas#16
Peak:m/z	Relative Intensity
55.01886	1.0
57.03457	9.2
58.00581	0.6
59.01385	37.0
61.98835	9.6
69.03455	0.7
70.75874	0.6
71.01389	21.2
72.99316	2.0
73.02953	6.7
74.99127	0.7
75.00890	1.0
83.01407	2.5
83.04971	0.7
85.02963	12.3
85.06622	0.7
87.00887	2.6
89.02456	13.2
93.03456	0.6
93.29781	0.6
95.01405	1.6
97.02979	0.8
99.00881	2.7
99.04527	5.0
99.92599	3.1
100.93375	1.2
101.02453	17.8
101.92586	0.6
111.00896	1.5
113.02465	7.6
115.07629	1.9
115.92075	0.8
116.92876	24.8
116.93718	1.2
117.92897	1.4
118.94388	0.6
119.03535	3.7
123.04597	0.7
125.02457	2.3
126.37167	0.7
131.03548	1.4
140.70052	0.6
143.03526	0.9
149.04594	2.1
159.03003	0.6
160.04100	1.8
161.04544	4.0
174.03143	0.7
178.05136	4.8
179.05620	0.7
191.05583	1.1
203.07147	1.3
211.07945	1.1
226.96582	2.2
229.09050	2.2
237.04692	0.6
246.08734	1.0
247.09769	0.9
286.01846	0.9
296.11349	0.8
299.09354	3.0
299.18625	3.8
317.19711	7.7
347.17218	1.9
409.15201	1.0
443.06683	1.1
448.07376	1.2
461.23932	4.4
479.08881	3.1
479.25159	100.0
480.09604	1.8
480.25623	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	480.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.7
60.72416	0.9
61.98825	4.0
71.01395	2.6
72.00918	14.7
73.09674	0.7
73.29363	0.8
78.95903	1.1
79.33224	0.8
79.80191	0.8
80.55595	0.9
81.03423	0.8
84.61434	0.8
89.02435	2.4
96.96048	1.2
96.96981	2.1
100.46946	0.7
101.02413	1.0
118.96642	2.1
132.98264	1.1
137.02444	1.3
141.98219	6.7
147.04543	48.2
148.04866	1.1
151.03966	1.0
164.07184	70.0
165.01927	6.2
165.07524	2.7
166.02248	2.0
168.04271	1.1
174.99263	10.9
180.04298	3.7
181.04672	1.5
187.98769	6.0
195.06673	9.9
196.06955	4.5
217.00320	19.0
229.99922	1.2
289.05872	1.0
322.06113	100.0
323.06409	3.8
421.10187	3.0
462.16086	1.2
480.04987	18.9
480.11404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39886	0.5
59.01381	5.6
60.30430	0.6
61.98835	1.1
65.34840	0.5
69.00655	0.6
69.81724	1.1
70.52524	0.5
71.01376	2.8
73.02950	1.1
85.02950	1.4
89.02449	1.7
97.02999	0.6
99.00869	1.2
101.02447	1.8
113.02456	0.7
118.02995	0.6
122.02437	0.7
127.61443	0.6
133.01721	5.3
134.02499	100.0
135.02867	2.9
135.04518	5.3
150.02020	1.9
157.10173	0.6
158.03712	0.9
160.04060	1.6
161.02483	1.0
186.03162	0.6
187.03897	0.5
191.05602	1.1
199.04027	2.1
207.10181	0.9
208.10623	0.9
213.04144	0.7
214.02914	1.3
214.05092	9.7
225.11427	1.5
226.11693	2.1
240.03009	0.7
241.01459	0.8
241.03806	1.7
242.02187	5.3
242.04636	7.4
243.02951	5.1
243.12534	1.2
244.03828	1.1
244.12672	0.6
258.04190	1.4
259.06223	1.3
274.08319	0.6
285.02859	2.0
286.03598	59.6
287.03915	3.4
296.07874	3.1
370.36844	0.6
448.08862	70.6
449.09232	5.7
480.11517	13.2
480.20758	4.8
481.11749	0.9
481.26822	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	480.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21638	0.4
54.99378	0.4
56.49501	0.4
58.75994	0.4
59.01391	4.7
61.98822	1.8
62.83307	0.4
69.03455	1.8
71.01386	2.8
73.02959	0.8
78.31683	0.4
79.01906	0.7
83.01369	0.7
85.02957	1.7
89.02427	2.2
94.02993	1.2
95.01382	0.5
97.02967	0.7
98.21780	0.6
99.00842	0.5
99.04450	0.4
101.02439	1.9
107.01404	2.7
108.02187	3.3
109.02970	5.0
113.02445	1.1
121.02953	0.6
122.02497	28.3
123.03283	22.4
125.02473	2.7
133.01703	1.0
134.02507	0.9
134.99896	0.7
135.00897	9.8
136.03975	0.4
137.04829	0.6
138.05626	4.3
149.01213	3.7
149.04562	0.7
149.99594	0.6
150.36328	0.4
152.01167	1.5
153.01945	3.8
161.04512	0.6
163.03963	0.8
164.03569	4.6
166.01443	0.5
167.02248	7.0
177.02014	0.5
181.03786	1.6
182.04596	17.6
183.04944	0.5
191.05618	6.1
197.04851	0.6
208.02528	2.8
213.04201	0.6
214.05077	1.0
215.03506	4.1
230.04655	0.8
240.03059	1.9
241.03804	6.3
242.04626	1.5
255.05386	0.8
256.06189	1.2
258.04086	31.2
259.04828	15.0
260.05139	0.9
273.06442	26.0
274.07208	18.7
275.07550	0.9
283.02484	0.6
286.03546	0.8
299.04413	1.7
300.05087	0.9
315.07214	2.0
317.05399	3.0
318.06186	9.9
335.93512	0.5
375.13904	0.5
421.10049	0.5
421.20639	0.5
436.12665	0.7
448.09161	0.6
465.09222	0.8
479.25208	1.9
480.11493	100.0
480.25626	3.1
481.11795	8.9
481.18243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62511	0.6
55.67658	0.5
59.01389	3.1
61.98829	1.9
65.99830	0.6
66.03480	0.7
69.28981	2.0
69.29395	1.1
70.20446	0.5
71.01400	1.1
73.02982	0.7
79.75430	0.5
89.02483	0.5
93.03476	0.8
94.03008	1.2
101.02467	1.3
109.02956	1.7
111.00897	0.7
113.02405	0.8
121.01700	1.8
122.02501	9.5
123.00861	1.1
133.01736	0.6
134.02498	11.9
149.01198	3.7
150.01984	33.1
151.02374	1.4
157.79477	0.5
166.01460	0.6
170.03734	0.6
170.51953	0.6
175.12328	0.6
181.03690	1.6
182.04610	20.6
184.04074	0.7
186.03236	1.2
186.05692	1.5
191.05664	2.6
198.03172	2.3
200.03552	0.7
212.03503	5.2
213.04338	13.3
214.02773	1.1
214.04968	3.7
225.04262	0.5
230.04675	0.7
240.03024	1.5
241.03831	78.4
242.02252	2.1
242.04549	20.6
243.02974	1.8
243.05164	0.7
258.03909	0.7
274.07251	0.9
285.02811	28.1
286.03592	38.0
287.03925	2.0
300.05054	0.8
317.05228	0.7
318.06192	16.5
319.06476	1.0
448.08890	100.0
449.09183	7.3
480.11465	38.5
480.25500	1.7
481.11920	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	480.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49334	0.4
58.84888	0.4
59.01385	5.1
59.14783	0.5
61.63226	0.5
61.98835	1.3
66.92362	0.4
69.77140	0.9
69.77494	1.0
71.01396	2.6
73.02947	0.9
85.02991	1.2
89.02454	1.2
99.00906	0.6
101.02457	1.8
106.06744	0.4
109.02985	0.8
113.02457	0.8
122.02522	0.5
125.02467	0.5
133.01704	6.1
134.02496	100.0
135.02802	1.8
135.04550	4.8
150.01988	1.7
158.03706	0.6
160.04065	1.6
161.02446	1.4
161.04642	0.6
179.03481	0.6
180.03069	0.5
181.12411	0.5
186.03250	1.3
186.05675	0.8
191.05606	1.3
198.03290	0.9
198.05585	0.5
199.04060	1.7
207.10223	0.6
212.03482	0.7
213.04329	0.9
214.02956	1.2
214.05110	7.1
215.05441	0.6
219.08475	0.5
225.11333	1.2
226.11745	1.5
241.03824	1.4
242.02214	6.2
242.04642	7.2
243.02928	5.5
243.12408	1.3
244.12833	0.8
258.04108	2.0
259.06149	0.7
285.02856	2.1
286.03613	58.0
287.03958	3.5
296.07727	3.0
318.06390	0.5
370.66016	0.5
405.35455	0.5
438.09970	0.5
448.08896	69.0
449.09180	5.6
479.20688	0.9
479.25754	0.7
480.11520	9.7
480.20801	4.3
481.11700	0.8
481.27014	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98836	100.0
66.27846	1.2
70.72092	1.9
139.75725	0.9
145.64108	1.0
164.53885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05809	0.9
58.33432	0.6
59.01385	29.3
59.28302	0.7
61.98830	3.1
65.36983	0.7
69.68076	0.6
70.93346	1.3
71.01374	4.2
73.02959	1.0
74.02477	1.0
75.00859	0.7
82.95432	1.7
83.05014	0.9
85.02955	1.5
89.02455	4.5
93.03467	3.0
98.22003	0.8
101.02471	3.6
111.04501	0.9
113.02463	2.6
114.05615	1.0
119.03481	0.7
119.05025	3.0
125.02499	0.9
127.80183	0.7
133.02933	0.8
134.03790	3.3
136.01680	10.7
149.06094	2.8
151.04034	11.5
152.96652	0.7
156.06693	0.7
161.04564	1.1
163.04010	2.5
164.07185	0.8
178.01089	0.7
179.05653	0.8
180.06679	15.5
181.07082	0.7
184.05305	0.7
185.06004	1.1
195.04457	1.3
213.05586	10.9
223.04071	1.9
224.04866	1.3
240.04298	1.6
241.05089	54.2
242.05426	2.9
255.06554	1.8
256.07431	40.2
257.07791	1.6
271.09775	100.0
272.10092	6.4
287.04318	1.0
301.11960	1.2
319.01035	0.8
319.08664	0.7
319.11795	17.7
320.12149	1.5
334.82294	0.8
402.23083	0.9
420.23752	1.0
433.15509	1.3
450.09592	0.8
463.17371	0.9
481.18951	2.5
503.69940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17224	2.3
55.20016	2.4
56.14192	2.5
57.03439	3.0
59.01386	100.0
61.98829	11.1
64.06562	2.2
69.41019	2.3
69.86533	4.9
71.01392	33.0
72.99304	2.5
73.02951	7.3
75.00874	8.8
75.05935	2.4
83.01405	4.9
83.05026	2.5
84.95116	6.3
85.02966	7.7
87.00895	14.6
89.02456	29.1
93.03476	15.5
93.43941	2.4
98.22512	3.8
101.02454	21.0
106.06638	2.4
111.04523	5.3
113.02452	12.8
116.92902	2.4
117.68587	2.3
119.03498	7.0
119.05054	12.5
121.02966	2.7
121.05350	3.9
122.06139	4.2
124.04068	17.4
131.03516	2.7
134.06129	6.7
136.04042	6.4
136.07675	10.4
137.02441	11.3
138.05626	5.8
146.06158	4.3
149.04713	8.3
154.05142	26.2
155.03514	10.1
160.04109	5.8
161.04649	7.4
162.05606	2.5
163.04070	11.3
163.06384	23.7
164.05830	5.3
164.07184	71.2
179.05627	7.1
191.05609	4.1
206.08217	3.8
211.08748	4.0
215.12009	3.9
224.09399	3.2
225.10402	6.4
227.08347	4.8
229.09775	7.2
232.09770	3.0
240.08955	7.1
241.09865	11.4
242.10535	9.0
243.11394	11.7
252.09003	9.2
253.09814	9.2
254.10661	2.5
255.11223	2.8
257.09293	20.5
259.10907	23.5
265.09879	2.7
270.10178	8.6
271.10938	28.7
272.11627	2.6
273.12442	7.0
283.10910	42.7
284.11130	2.8
299.95697	2.5
300.11209	26.2
301.11957	78.6
302.12238	3.7
319.08249	9.7
319.13629	3.7
326.12503	34.4
421.16913	4.0
433.16281	23.3
443.03821	3.3
445.16052	5.4
463.17313	74.4
464.17679	3.8
481.18396	44.5
482.18500	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	481.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72556	1.4
55.54877	1.1
61.98827	1.2
67.01891	8.9
67.85716	1.3
75.21030	1.2
78.43909	1.3
85.02962	11.1
96.60665	1.2
102.60262	1.1
109.06653	1.6
110.32899	1.2
111.00890	100.0
125.09781	2.1
129.01973	7.6
133.48729	1.3
134.46373	1.2
153.09236	2.3
159.11780	2.5
171.10283	3.1
185.11832	2.7
197.11876	1.5
203.10709	1.8
209.11836	6.3
260.71729	1.4
289.18130	3.2
305.13995	4.3
307.19202	14.7
308.19516	2.2
313.21689	1.5
322.17465	1.2
325.20090	9.4
331.22849	2.3
357.20731	1.6
375.21851	1.7
508.41263	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
64.44896	0.7
67.01893	6.7
69.27300	3.5
85.02962	31.2
95.05057	0.7
96.95985	0.8
111.00895	100.0
112.01236	1.6
123.04565	1.1
125.09760	2.0
129.01952	16.7
153.09216	1.0
154.99886	2.0
159.11865	0.9
161.04494	0.7
163.11240	1.0
171.10332	2.1
185.11903	1.7
185.58057	0.7
197.11859	0.7
201.11301	1.2
203.10800	0.9
209.11919	4.5
213.11386	1.2
227.12936	1.0
245.19221	0.9
277.14389	1.6
279.16220	1.0
289.18115	4.3
307.19162	18.1
308.19470	1.8
313.21954	1.3
325.20236	11.6
326.20660	0.8
331.22876	2.9
339.09518	0.7
357.20773	1.2
375.21970	1.5
393.22327	0.9
409.15637	0.7
437.21719	2.2
481.21255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.00593	1.2
59.01384	100.0
60.01714	0.7
61.98840	1.2
69.03436	1.0
69.37599	2.8
71.01387	40.0
72.99341	0.7
73.02949	15.3
75.00880	1.3
80.52454	0.6
83.01414	2.3
85.02954	7.6
87.00880	1.6
89.02454	73.6
90.02754	0.9
90.48595	0.6
93.03429	0.9
95.01396	1.2
97.02974	1.5
98.22652	1.4
99.00889	22.6
101.02451	33.3
102.02814	1.0
113.02463	9.4
115.04024	0.9
119.03503	6.1
125.02466	3.8
129.09138	0.7
131.03513	13.6
143.03526	1.9
149.04564	51.2
161.04588	5.0
179.05624	1.7
187.13504	0.9
191.05632	11.6
195.36827	0.6
221.06572	3.3
241.81027	0.7
251.07767	4.5
293.08966	1.4
329.09402	0.7
349.18655	3.5
367.81049	0.7
404.24377	7.3
422.27322	6.4
481.23007	29.5
482.23248	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86975	1.5
57.03452	18.2
58.47195	1.5
59.01385	100.0
60.99460	1.5
64.22839	1.5
69.15904	9.4
69.16309	3.3
70.00191	1.6
71.01386	46.2
72.01721	1.7
73.02962	16.2
73.23142	1.7
81.03430	2.0
83.01413	3.4
83.05049	5.2
85.02962	10.3
87.00880	11.9
89.02453	78.7
93.03465	23.6
94.98119	3.6
95.01366	1.9
97.02960	2.8
98.22614	4.0
99.00893	25.8
99.04532	15.6
101.02457	38.3
111.04547	7.8
113.02456	13.1
119.03520	6.8
119.05037	61.9
120.05367	2.4
121.02911	1.8
123.03227	2.3
125.02444	9.2
131.03525	10.1
135.04515	1.8
137.02483	11.8
138.01978	5.0
143.03529	5.4
145.02951	6.2
149.04572	53.0
152.03557	5.2
153.04349	4.2
155.03484	10.7
160.04045	7.0
161.04503	10.2
163.04024	57.1
179.05600	4.1
191.05577	11.3
209.11838	2.5
221.06644	5.3
251.07507	2.1
275.07550	2.3
286.03580	2.3
287.04019	4.6
319.08368	30.3
319.17590	2.7
319.20963	2.5
320.08609	3.0
337.18793	5.2
349.18665	3.0
437.94446	1.7
481.12601	9.9
481.26440	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12288	1.6
52.86899	2.1
54.38368	1.6
57.01952	1.8
57.03461	10.1
59.01387	100.0
61.98828	10.9
68.93388	1.8
71.01398	25.8
72.00928	2.7
73.02962	5.6
83.01448	3.0
85.02971	9.3
87.00939	1.8
87.04516	2.5
89.02447	23.0
93.03504	3.1
96.96028	3.8
96.96984	4.4
99.32864	1.9
101.02464	15.3
107.49054	1.9
109.02955	2.5
109.06577	2.6
111.04494	2.0
113.02462	9.2
113.03582	3.6
118.06660	2.0
119.03524	7.8
119.40045	1.9
126.04373	3.8
126.90404	2.5
128.03574	3.4
131.03571	2.9
135.08180	44.4
139.07672	4.1
140.07181	23.4
147.04547	7.7
147.08205	4.5
149.04591	2.8
151.04007	3.1
153.04311	2.7
153.09230	52.5
155.03537	2.2
156.99522	2.0
161.04581	11.4
162.05638	3.0
164.07172	26.5
165.09207	30.3
176.07185	2.5
179.05676	8.1
182.08238	10.5
183.10272	23.0
193.12431	3.7
196.97803	2.1
225.11369	2.5
241.14484	16.0
256.07416	3.7
258.05832	1.9
259.15521	47.3
260.15881	2.1
261.08893	3.0
271.09811	4.1
284.12961	9.6
323.09860	4.6
361.15320	5.9
418.49612	2.0
421.20868	16.2
463.17099	2.2
464.17807	2.5
468.49448	2.2
473.69775	2.1
481.12585	3.0
481.19055	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
57.01624	1.2
57.03436	3.6
58.00602	1.3
59.01384	100.0
69.03438	4.4
69.25034	1.7
69.25452	3.9
71.01389	96.6
72.01736	1.1
72.99316	2.3
73.02956	38.0
75.00871	5.8
81.03452	2.9
83.01389	9.0
85.02958	24.0
87.00880	20.9
89.02452	94.1
90.02760	1.2
93.03477	1.3
95.01389	4.6
97.02960	10.3
99.00887	44.3
99.04524	2.4
101.02455	66.3
111.00899	2.4
113.02464	20.6
115.04021	10.6
119.03503	5.5
125.02456	20.2
127.04048	1.0
131.03511	14.2
141.01939	2.2
141.09245	6.8
143.03503	6.2
143.10805	9.7
149.04573	35.7
159.02977	3.3
161.04573	20.7
166.17892	1.1
173.04523	1.3
179.05574	1.7
187.13528	1.4
191.03984	1.1
191.05661	18.5
205.37140	1.0
221.06656	2.3
229.14743	1.0
233.06673	22.3
251.07715	2.4
259.15479	6.7
293.08835	12.3
318.66769	1.1
349.18689	45.3
350.18881	2.7
364.75565	1.2
481.22852	94.7
482.23163	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	481.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
56.53061	4.3
57.03455	7.1
59.01385	75.9
61.98833	28.8
71.01389	78.6
72.99316	4.8
73.02950	25.4
83.01401	14.7
85.02962	36.2
87.00891	9.0
89.02454	19.8
99.00890	13.6
101.02448	63.4
103.27052	4.4
111.00869	6.7
111.08218	4.4
113.02494	24.3
125.02480	5.5
131.03557	4.7
143.03566	5.1
149.04529	6.4
159.02986	6.6
161.04596	24.4
191.05620	15.4
245.79987	4.4
289.16602	51.7
319.19186	22.3
349.22339	13.0
421.20850	100.0
439.56470	5.5
481.17154	9.1
481.26334	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	481.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58451	1.1
64.71880	0.9
71.03004	1.5
76.61124	1.0
78.95909	46.5
94.13666	1.0
96.96967	4.5
144.74075	1.0
152.99600	67.0
164.67665	1.4
171.00645	17.5
186.50832	1.1
227.03278	3.6
245.04320	100.0
253.21739	57.5
254.22089	3.6
276.04327	1.1
330.49942	1.2
347.45151	1.2
481.25766	31.6
482.26221	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	481.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41232	0.4
55.01881	1.4
57.03463	2.7
58.00551	0.5
59.01384	22.9
60.99140	0.4
61.98822	0.8
62.07021	0.4
63.23216	0.4
64.56599	0.5
69.03487	0.6
71.01038	0.5
71.01384	11.2
73.02949	4.6
74.70876	0.4
83.01398	2.9
85.02958	5.5
87.00882	1.9
89.02457	4.7
95.01392	1.3
99.00874	1.3
99.04503	1.2
101.02451	9.5
113.02470	3.4
115.07654	0.8
116.92886	0.6
119.03529	1.3
125.02467	0.7
153.05595	0.6
160.04041	0.8
161.04514	0.9
166.05087	0.7
181.05107	0.7
191.05560	0.7
273.20700	2.2
301.20209	1.6
319.17825	0.8
319.21188	3.6
349.18878	0.8
463.25580	1.8
481.26590	100.0
482.26889	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	482.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
61.98836	15.8
65.58088	0.5
69.29049	1.6
69.29459	1.3
71.01402	1.3
73.06748	0.5
73.97187	0.5
89.02460	1.5
93.18115	0.5
96.96034	0.6
96.97009	0.8
101.02470	0.8
106.04247	1.3
107.05041	9.0
131.03468	0.8
135.04532	0.6
137.62206	0.5
149.04553	0.8
149.88385	0.5
152.19110	0.5
158.06181	0.5
160.04062	2.6
161.04832	4.4
162.05635	1.3
164.07143	1.0
165.07564	0.8
174.05585	1.0
176.07184	21.8
177.07585	0.8
179.05518	0.7
190.05128	0.5
194.08150	0.9
216.10506	0.5
271.09607	0.6
284.12949	100.0
285.13248	7.1
446.18237	10.9
447.18713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26009	0.9
59.01386	100.0
60.01722	0.9
61.98834	7.3
64.44397	0.9
71.01392	4.7
73.47090	0.8
85.02961	2.0
89.02457	4.8
101.02460	3.6
107.04988	1.4
113.02466	1.8
119.03465	1.2
126.82080	0.9
128.03592	1.8
128.54195	0.9
129.86749	2.5
140.07202	12.6
149.04602	1.4
150.90703	1.9
153.04361	1.6
153.09198	1.5
161.04623	1.2
164.07207	1.5
164.18370	0.9
164.92249	0.9
165.07521	1.1
166.05132	1.1
166.09552	0.9
176.07190	2.3
179.05692	1.2
182.08214	3.4
232.02379	1.1
237.13120	1.1
259.15546	1.1
260.15857	1.3
284.13010	11.0
323.09741	1.6
423.14902	1.0
444.03082	3.4
446.18307	1.4
464.17654	2.2
474.17932	1.0
482.00793	1.2
482.10071	0.9
482.18741	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	482.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01729	0.5
62.67087	0.4
63.38065	0.4
68.09178	0.5
70.47748	1.1
78.57853	0.6
85.55025	0.4
96.85133	0.5
101.42752	0.5
127.36853	0.5
155.68811	0.5
192.38342	0.5
222.02017	0.5
290.48712	0.5
335.46045	0.5
399.88470	0.6
440.53601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1774
Annotation	Naucleofficine C
Peak:m/z	Relative Intensity
54.85656	1.1
55.01868	1.5
56.17881	1.1
57.03438	2.9
59.01388	23.5
61.98839	7.9
63.49276	1.0
65.24346	1.1
67.96776	1.0
69.52607	4.1
71.01387	19.4
72.00909	3.9
73.02959	6.4
74.99123	1.8
75.00881	1.3
83.01387	2.7
85.02959	8.7
87.00883	2.2
88.98833	1.2
89.02445	8.0
92.05075	2.4
93.03459	4.9
97.02993	1.4
97.44345	1.0
99.00901	2.7
99.04556	1.3
101.02452	15.2
106.04242	2.9
109.74244	1.0
111.00880	3.6
113.02434	6.1
116.05073	35.8
117.05441	1.2
119.03648	1.5
119.05043	19.5
123.04554	2.6
132.03755	1.2
133.05333	3.2
135.04535	2.4
136.07722	1.2
137.02428	1.3
142.06641	4.2
146.06114	1.2
148.07684	5.1
151.03860	1.1
154.06615	1.7
156.06909	2.9
158.23773	1.0
159.03131	1.3
160.07655	4.7
161.04578	4.7
163.04005	4.1
167.06131	3.0
169.07730	30.9
171.09291	3.1
176.01044	1.1
177.01933	7.7
181.05034	4.9
182.05363	3.3
183.09216	2.0
184.07684	2.3
191.05626	2.9
192.06717	2.6
213.06696	2.1
232.07576	1.5
234.09196	8.7
235.06233	1.1
236.03938	0.9
246.09248	3.7
247.10057	1.5
248.10872	2.3
260.10837	2.5
267.06635	1.1
277.13474	33.8
278.13620	1.9
288.71503	1.4
321.12442	100.0
321.18970	4.4
322.12808	7.9
326.32663	1.1
339.07184	1.7
351.19922	2.0
439.20135	1.4
440.22006	3.1
483.17706	13.7
483.24603	29.6
484.18542	2.6
484.24658	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	483.2008
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
57.03483	1.9
59.01391	12.5
61.98826	11.2
69.37913	3.3
69.38316	6.7
71.01391	10.9
72.02649	1.8
73.02954	6.0
85.02961	6.0
89.02456	3.7
101.02443	10.1
106.41670	1.9
113.02477	3.9
161.04558	6.3
191.05688	2.4
209.34996	2.0
214.76152	2.3
234.04039	2.4
304.63132	2.3
315.18195	3.6
447.22314	51.2
448.22852	4.7
465.17935	2.5
481.16565	2.2
483.20056	100.0
484.20184	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.1
61.98817	0.6
67.01894	6.5
70.62618	0.5
71.01394	1.5
85.02958	8.3
88.91023	0.5
89.02466	0.8
96.96034	0.8
101.02451	1.4
108.26840	0.5
111.00894	100.0
112.01250	1.4
113.02398	0.6
113.74487	0.6
121.02969	4.9
129.01955	2.8
154.99825	0.5
171.10301	2.1
211.13437	1.8
229.14401	1.3
304.04550	0.8
309.20700	1.2
313.07397	0.7
327.21780	22.8
328.22287	1.1
379.04623	0.6
401.08771	3.2
439.23380	1.9
463.32065	0.6
469.06683	0.6
484.09250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.8
57.03451	8.4
58.00605	1.6
59.01385	90.4
60.01713	1.0
61.98829	2.7
67.01897	0.9
69.03110	1.0
69.03459	5.2
69.13313	1.6
69.13718	3.4
71.01387	100.0
72.01708	1.5
72.99322	2.3
73.02955	20.8
74.39551	0.6
75.00851	0.9
81.03461	3.8
83.01398	10.7
85.02959	27.7
86.00127	0.9
87.00880	4.8
89.02454	87.2
90.02790	1.2
91.64130	0.7
95.01395	3.1
96.95970	0.7
97.02959	8.6
99.00881	5.2
99.04532	0.7
101.02453	42.6
102.02686	0.7
102.73213	0.6
109.02953	0.7
111.00896	7.9
113.02458	23.3
115.03967	2.0
119.03498	3.1
119.08620	1.2
120.84155	0.8
121.02940	0.8
125.02458	18.1
129.01933	1.6
131.03519	24.3
139.03992	1.5
143.03558	3.6
149.04564	18.9
150.04713	0.6
159.02942	2.8
161.04579	15.1
166.88393	0.6
169.10201	1.8
171.11778	1.4
173.04453	1.2
189.12885	4.5
191.05634	6.0
193.63408	0.6
211.25897	0.6
233.06677	6.9
293.08850	4.8
351.17853	2.2
369.40939	0.7
445.32733	0.7
465.17120	1.4
483.22614	9.5
483.28900	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.6
57.03450	8.0
57.09124	0.6
58.00596	1.3
59.01384	58.2
60.01714	0.7
61.98823	1.4
69.03452	5.5
70.16680	1.3
70.17027	1.0
71.01389	100.0
72.01738	1.4
72.99326	2.0
73.02953	35.0
74.03285	0.7
75.00885	3.1
81.03474	2.8
83.01399	10.1
84.02189	0.8
85.02959	39.3
87.00880	5.3
89.02454	62.6
95.01412	5.7
97.02960	8.7
99.00892	19.2
99.04546	1.7
101.02452	49.3
102.02839	0.8
111.00894	2.6
113.02462	29.7
115.04009	4.4
119.03499	2.5
119.08642	1.6
125.02465	24.9
127.03988	0.7
129.01924	1.8
131.03535	9.5
143.03523	6.0
149.04578	11.0
159.03000	5.9
161.04570	34.2
162.04895	0.8
169.10245	1.9
171.11792	2.8
173.09726	0.8
178.08582	0.7
189.12885	4.7
191.05602	5.9
233.06671	24.4
234.06958	1.1
293.08829	13.7
305.00064	0.7
351.18188	3.0
371.17239	0.7
396.44968	0.8
420.58847	0.8
433.99951	0.8
437.23743	1.1
465.17920	2.4
483.22382	29.0
483.29062	1.1
484.22723	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	483.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.0
57.03450	4.3
59.01385	81.3
60.01722	1.8
61.98836	3.5
64.20153	0.9
69.03463	2.9
69.72426	1.7
69.72825	1.8
71.01388	71.2
72.99338	1.0
73.02953	28.3
75.00863	2.1
81.03457	1.4
83.01381	7.2
85.02955	24.7
87.00883	4.3
89.02452	44.5
93.03425	1.3
95.01392	5.5
97.02963	5.2
97.99912	1.0
99.00890	16.7
99.04493	1.8
101.02451	53.2
102.02825	1.1
111.00890	1.6
113.02451	24.6
114.85619	0.9
115.04025	3.1
116.05087	1.8
119.03491	6.6
125.02455	8.7
131.03552	6.9
143.03513	3.4
149.04543	8.5
154.01503	1.4
159.03012	4.3
159.24864	0.9
160.04031	2.3
161.04570	21.3
179.05638	1.7
189.14967	6.8
191.05630	4.1
233.06670	6.9
293.08957	5.2
351.20270	51.1
352.20599	2.2
405.24936	2.0
423.18765	2.4
437.20383	2.4
439.11215	0.9
447.18668	2.3
466.13281	1.2
483.24530	100.0
484.24799	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	483.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.9
55.01876	4.5
57.03449	5.8
59.01385	90.4
60.01722	2.0
60.37514	0.9
61.98842	10.7
69.03461	2.5
70.94374	1.4
71.01388	71.9
72.99323	1.9
73.02954	26.5
75.00881	2.6
78.95898	1.1
80.91691	9.0
81.03464	1.5
83.01390	10.1
85.02964	25.6
87.00892	6.3
89.02454	47.1
90.02807	1.0
95.01374	5.0
97.02943	5.2
99.00895	13.3
99.04546	2.3
101.02454	55.3
111.00930	2.4
113.01001	1.2
113.02460	25.4
114.02772	0.9
115.04021	4.1
117.00446	0.9
119.03561	7.2
124.16422	1.0
125.02456	6.9
129.01988	1.3
131.03519	8.5
141.00438	2.6
143.03534	3.2
149.04575	13.0
151.04018	0.9
155.01970	1.2
159.03020	7.2
160.01735	1.1
161.02463	3.6
161.04567	21.4
163.04080	1.2
179.05676	2.6
183.01520	1.9
189.14984	12.5
191.05684	6.1
193.05179	1.0
222.08568	0.9
233.06647	7.2
255.11475	1.1
261.01279	1.2
269.10281	1.8
285.12442	1.3
293.08850	5.1
305.16205	1.1
319.57312	1.0
321.02930	1.9
321.22876	1.2
323.07635	2.8
351.09399	5.1
351.20270	56.5
352.20694	3.0
363.04269	1.1
377.18326	2.3
401.14505	6.3
405.24884	2.9
423.19464	1.3
423.26031	2.3
437.20575	1.3
465.18857	2.5
483.13403	5.6
483.24603	100.0
484.24921	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	483.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03449	2.0
58.00591	1.1
59.01385	90.7
60.01711	0.9
61.19345	0.7
61.98829	3.1
65.19784	0.6
69.03465	2.7
69.99610	0.7
69.99927	1.3
71.01387	62.0
71.05000	0.6
72.01749	0.9
72.99309	1.8
73.02949	21.8
75.00882	2.3
83.01395	3.5
85.02961	11.9
87.00878	2.3
88.98814	1.5
89.02451	100.0
90.02797	1.3
95.01408	1.9
97.02955	3.0
97.11963	0.6
98.21921	1.2
99.00889	29.3
99.04523	1.4
101.02448	46.0
102.02821	0.7
111.00883	1.2
111.92304	0.7
113.02465	14.6
115.04024	3.6
116.37472	0.6
119.03498	8.8
123.00904	0.8
125.02466	8.8
128.89090	0.7
129.09229	2.8
131.03519	15.9
143.03505	2.9
149.04572	66.3
150.04869	1.4
161.04573	7.7
164.17700	0.6
167.58514	0.6
175.03918	0.7
179.05612	2.2
189.15001	1.7
191.05623	15.4
221.06696	5.5
233.06683	6.4
251.07710	7.1
258.71255	0.8
258.85013	0.7
261.39273	0.7
293.08786	4.5
311.09900	2.2
339.82654	0.7
351.20273	19.5
352.20578	0.7
370.99847	0.8
483.24518	53.3
484.09406	0.9
484.24832	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	483.2732
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
69.73328	1.3
69.73714	1.6
78.95915	22.0
92.74681	0.7
96.96994	2.0
98.21992	1.3
101.71868	0.7
150.98022	0.8
152.98349	1.5
152.99596	32.2
171.00703	1.4
227.03297	4.4
227.68390	0.7
231.72234	0.7
255.23320	100.0
256.23691	4.6
260.77127	0.6
483.27332	50.3
484.27896	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	483.2731
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
62.95406	0.3
70.63029	0.3
71.05560	0.3
78.95487	0.6
78.95908	6.7
88.10007	0.3
112.06017	0.3
115.28110	0.3
135.88934	0.3
148.08859	0.3
149.69774	0.3
152.99596	12.4
171.00641	1.5
177.01277	0.3
184.09933	0.3
227.03285	3.5
245.04272	1.1
255.23311	100.0
256.23651	5.1
483.27304	26.0
484.27658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	0.7
60.10335	0.4
65.95515	0.4
71.14437	0.6
85.02985	1.2
87.61204	0.4
101.02469	0.5
111.00883	3.4
112.01254	0.9
113.01395	0.5
124.87849	0.4
169.50673	0.4
232.34511	0.4
243.61060	0.4
270.04187	0.4
297.21188	0.4
308.19711	0.5
308.57101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47334	0.6
59.01123	1.0
59.01385	13.1
60.01722	0.9
61.98825	2.4
64.16018	0.7
71.01381	7.0
71.05004	0.8
71.41009	0.8
72.01701	0.7
72.99315	1.7
73.02960	1.0
75.00845	0.8
78.03492	1.8
81.03468	10.2
83.01394	2.6
83.05027	4.2
85.02961	3.8
87.00869	1.5
89.02449	3.8
93.03465	3.9
96.02141	0.8
97.02960	1.6
99.04572	0.7
101.02454	3.3
104.99638	0.8
106.03002	6.4
107.03796	1.5
108.02161	1.0
108.04568	1.4
109.02979	6.1
111.00875	1.8
111.04536	17.2
113.02448	2.3
114.05607	0.8
118.03008	13.3
119.03455	1.1
121.02976	3.8
122.03326	1.6
125.02435	2.2
127.04034	7.6
133.01732	6.0
133.02664	1.1
134.02505	5.2
135.04544	2.2
136.04062	1.3
137.02455	4.8
139.03995	1.5
141.58794	0.8
144.04549	1.8
146.02446	4.0
147.03293	1.0
148.04111	1.3
149.06104	1.1
150.01965	7.3
151.02731	2.4
151.03961	1.6
152.03537	2.9
155.03517	6.8
158.06137	1.1
159.03192	1.3
160.04045	1.6
160.06105	0.8
161.01224	1.5
161.02443	2.3
161.04521	1.2
162.01993	5.1
163.02757	1.0
164.03549	11.9
165.04312	8.5
166.02899	1.6
166.05121	15.8
170.06099	2.5
171.03357	1.0
171.06940	1.0
172.04128	0.9
173.04610	1.9
176.03584	1.0
177.00684	8.4
179.03500	1.0
179.05632	1.1
182.06168	1.1
186.05646	2.2
187.02747	1.0
188.03554	4.4
190.01443	2.8
191.05617	7.7
192.03043	24.8
193.03336	1.3
194.04607	1.2
198.05566	5.4
199.06380	3.4
200.07211	3.5
202.08493	0.9
206.04688	1.4
209.04832	3.3
210.05623	24.9
215.02263	1.5
216.03052	3.3
222.04054	0.8
226.05104	4.4
227.05917	10.9
228.03186	1.3
228.06688	21.8
229.07013	1.3
244.06128	1.4
246.07765	1.3
254.04636	1.5
256.06107	0.9
271.04929	1.0
272.05670	100.0
272.34418	0.8
273.05994	5.6
284.07748	1.0
285.06461	3.0
286.07217	1.3
290.06744	12.5
291.07358	0.8
293.06607	1.6
302.05719	0.8
303.07462	3.7
304.08295	69.0
305.08688	3.5
322.09323	12.7
324.07559	1.0
326.08780	3.8
332.07706	2.2
352.06860	1.3
408.12955	1.2
424.09256	0.8
434.11017	2.0
452.12079	6.9
466.13568	40.2
467.14047	3.3
484.14697	31.2
485.14725	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	484.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01384	2.5
61.98834	100.0
69.18267	0.2
69.25720	1.8
70.28863	0.3
71.01387	1.3
73.02961	0.8
85.02974	0.9
99.04531	0.4
101.02467	1.2
103.19566	0.3
113.02499	0.4
133.02971	0.4
154.44736	0.3
160.04056	5.9
161.04553	0.6
177.01939	4.2
196.42322	0.3
238.09348	0.3
351.20126	0.4
366.08484	0.5
484.25043	1.0
485.24927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
58.98631	0.8
59.01384	100.0
61.98835	2.1
71.01375	1.3
71.42998	0.9
71.82447	0.7
72.04559	2.1
72.99300	1.2
83.05030	6.4
85.02923	0.8
87.00887	1.0
96.95983	0.8
97.02930	1.2
100.64965	0.8
101.02476	0.9
105.22122	0.8
107.05028	2.0
109.02961	0.9
111.00895	2.2
111.04499	1.0
114.00867	0.7
123.08167	7.7
126.61695	0.7
126.90353	0.9
135.04443	1.1
137.02444	0.9
159.03020	2.5
160.04076	2.6
163.04099	0.9
166.05132	0.9
168.91426	3.5
188.08420	2.1
216.07875	2.6
252.12425	1.3
253.12305	2.3
267.42853	0.9
272.05634	2.7
281.11752	1.4
282.14957	1.0
286.10818	1.1
304.08365	1.4
325.47424	0.8
326.90317	0.9
352.19189	1.0
370.20236	8.8
371.20795	0.9
376.10507	0.8
386.19797	1.3
388.21310	30.3
389.21564	1.8
406.22366	17.7
424.23425	68.4
425.23666	3.9
456.79999	0.9
484.25482	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	485.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44833	1.1
51.67995	0.9
54.12673	0.9
57.03453	65.9
59.01384	31.9
61.98815	3.7
69.23697	6.1
71.01388	9.5
73.02950	13.0
77.36953	1.0
81.03437	2.8
83.01385	1.6
85.02935	5.1
87.00878	0.9
89.02450	3.0
93.03458	1.9
94.89780	1.1
97.02983	1.0
97.06602	0.9
98.21878	1.7
99.00878	1.4
99.04530	39.9
101.02448	19.7
105.03453	4.3
107.04394	1.4
107.05042	15.0
113.02428	4.0
113.06039	1.1
119.03477	1.3
121.02960	4.6
123.04533	7.8
125.02460	27.4
125.18928	1.2
128.03555	14.4
129.06711	2.2
130.08690	1.2
134.03720	1.1
135.04507	3.2
143.03497	4.0
160.01653	1.7
161.02464	17.6
161.04572	3.5
173.04506	1.6
173.90831	0.9
176.03502	4.8
179.03511	100.0
180.03853	2.4
182.13062	1.0
189.01907	4.2
191.05605	4.2
200.13997	1.0
203.05559	2.2
220.02524	1.3
224.14056	1.8
243.08786	1.3
305.08850	10.4
306.09024	1.3
312.26413	0.9
338.70993	1.1
467.15506	2.7
485.20258	0.9
485.26132	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	485.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04923	0.9
55.01888	2.1
57.03430	1.4
59.01388	36.8
61.98845	5.6
71.01392	24.8
73.02957	9.2
82.95424	5.6
83.01394	2.8
85.02957	9.9
86.00101	1.1
87.00890	5.5
89.02451	12.5
93.03410	1.3
95.01398	1.4
98.19290	0.8
99.00883	2.3
101.02466	18.4
111.85649	1.0
113.02466	8.6
119.03518	4.9
131.03499	6.3
131.33119	1.1
145.07701	1.1
146.04866	1.1
159.03104	1.1
160.06427	7.6
161.04591	7.1
161.07227	68.9
162.07565	1.2
173.04501	1.2
175.08794	23.1
179.05666	1.5
182.77356	0.9
187.08815	3.8
189.06718	100.0
190.07018	2.2
191.05615	3.0
203.08284	22.3
204.08563	1.6
221.06706	8.5
229.09761	1.7
262.96332	1.1
293.16281	1.0
305.11438	12.5
323.12448	3.7
348.63031	0.9
425.20328	1.0
467.16852	2.3
485.17838	94.5
486.18326	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	85.7
61.98833	21.0
62.48555	7.2
71.01393	61.8
71.52499	7.9
73.02950	20.9
83.01390	10.4
85.02953	18.3
89.02463	54.1
99.00893	8.5
101.02459	53.9
111.00887	20.2
113.02467	14.7
128.32225	6.2
131.03540	21.6
148.04047	9.6
149.04550	32.1
161.04556	12.9
176.03511	52.6
177.04317	8.6
191.05608	15.8
237.41092	7.1
246.12250	6.8
317.19635	19.2
331.02237	7.2
425.18423	10.8
449.24042	100.0
485.21857	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04214	0.5
54.40966	0.6
55.01883	2.9
57.03462	3.0
58.00596	0.9
59.01384	96.1
61.98845	1.3
69.03471	0.9
71.01387	73.9
72.01730	0.6
72.99310	2.6
73.02955	17.2
75.00834	0.7
76.56303	0.5
81.03468	1.1
83.01402	6.5
85.02955	18.8
86.00105	1.0
87.00881	7.2
87.15677	0.6
89.02452	100.0
90.02833	0.7
90.46300	0.5
95.01398	2.0
97.02963	2.3
99.00900	2.6
101.02455	57.9
101.37824	0.7
111.00888	3.3
113.02460	17.3
115.03987	0.6
119.03509	10.3
125.02458	4.2
131.03517	45.9
143.03535	3.1
149.04568	77.6
150.04880	1.5
159.02948	0.8
159.58311	0.7
161.04601	5.7
176.03577	1.6
179.05644	1.5
191.05634	25.5
233.06752	1.2
251.07660	0.7
293.08856	1.1
353.19827	4.5
376.61072	0.6
485.24103	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	485.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60204	0.7
53.00736	0.9
55.01884	3.0
57.03452	3.2
57.07044	0.7
58.00595	1.4
59.01384	94.8
61.98833	1.8
69.03481	1.5
71.01388	82.4
71.42348	0.8
72.99306	2.2
73.02950	15.6
75.00891	1.2
81.03507	1.2
83.01385	7.1
85.02955	17.1
86.00111	1.2
86.43139	0.8
87.00881	7.9
89.02452	100.0
94.06582	0.7
95.01420	2.6
97.02976	2.4
99.00892	3.5
101.02451	55.9
105.56763	0.8
111.00887	4.7
113.02466	18.9
115.04024	0.9
119.03527	10.5
125.02497	4.6
131.03517	47.7
143.03503	3.6
149.04567	73.2
150.04865	1.1
161.04584	5.2
176.03592	2.0
179.05571	2.3
191.05626	26.3
233.06664	1.5
251.07631	1.8
353.19675	4.2
449.23752	1.3
485.23911	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	485.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03445	0.3
58.07784	0.1
59.01385	11.7
61.98822	0.2
69.03450	0.2
69.13609	0.4
69.14017	0.4
71.01391	5.5
72.99332	0.2
73.02949	1.3
82.59381	0.1
83.01397	0.6
83.05045	0.4
85.02950	1.1
87.00906	0.8
89.02454	4.4
89.08539	0.1
91.04030	0.2
95.01405	0.4
97.02973	0.2
97.06582	0.2
99.00931	0.3
99.04514	0.2
101.02457	5.2
108.86254	0.1
113.02465	2.2
115.04042	0.2
119.03516	1.2
125.02486	0.3
131.03470	0.2
133.05067	0.3
143.03513	0.5
154.54195	0.1
157.05104	0.4
161.04584	2.0
177.16568	0.3
179.05635	0.7
196.98036	0.2
205.19638	1.0
210.38121	0.2
231.17569	0.8
235.08264	1.4
247.17030	0.4
249.18625	100.0
250.18961	5.8
253.09317	16.3
254.09628	0.4
511.92343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03384	0.9
59.01383	17.4
61.98834	8.0
67.42192	0.9
71.01395	15.3
72.99321	1.3
73.02959	2.9
73.16557	0.9
75.00879	1.9
78.03484	0.9
83.01371	1.3
85.02969	7.0
87.00893	2.9
89.02458	8.9
90.03505	1.0
90.95280	1.1
91.01904	53.6
93.03470	2.8
95.93411	1.0
99.00889	2.4
101.02454	8.2
106.03015	4.4
107.03800	3.7
108.04576	5.3
111.04584	1.2
113.02460	3.4
118.03003	100.0
119.03442	3.3
119.05038	4.2
120.04534	1.2
121.02856	1.2
125.02477	1.6
127.05112	1.2
128.03532	1.2
129.01903	0.9
130.08739	1.0
134.02499	7.1
134.03746	2.8
135.04549	1.0
136.04053	4.5
149.06105	1.4
150.26389	1.0
151.02791	3.1
152.03528	4.3
157.05095	1.3
161.04590	1.5
162.01985	74.4
163.02332	2.4
163.04024	3.3
164.03630	1.1
166.05095	8.0
175.04034	1.4
177.00674	1.2
186.95335	1.0
191.05673	3.1
193.05103	4.0
212.07118	1.7
221.10243	1.2
255.75554	1.0
256.06149	2.2
264.98541	1.9
274.06995	1.0
292.08249	1.5
306.99567	1.9
310.09421	2.9
454.13574	98.5
455.13791	7.9
486.15210	1.4
487.14551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12722	0.3
57.67003	0.3
59.01376	0.7
61.98835	100.0
71.01419	0.3
79.61156	0.2
124.53741	0.3
170.88313	0.3
191.57587	0.3
203.58102	0.3
220.75151	0.3
265.44266	0.3
349.06046	0.3
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
54.76665	0.3
57.09916	0.2
59.01383	0.8
61.98834	100.0
63.55716	0.2
69.29302	0.6
69.29705	0.8
85.93642	0.2
96.19052	0.2
96.84235	0.3
98.21836	0.4
101.02440	0.3
129.39883	0.3
172.64868	0.4
221.14426	0.3
486.27151	0.3
502.09723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.7
57.58370	0.7
58.02988	3.5
59.01385	6.5
61.98835	12.2
66.88474	0.7
69.97288	1.7
70.02964	0.8
71.01392	3.0
73.02959	1.1
73.04073	14.3
74.02482	21.7
75.55779	0.6
82.06631	2.2
84.80029	0.6
85.02950	1.5
85.04102	1.1
87.00965	0.7
87.05645	1.7
89.02447	1.6
97.04054	2.0
98.02489	2.6
99.00906	0.9
101.02457	2.3
109.02949	0.6
111.00793	0.8
112.02785	1.0
112.05192	9.0
113.02480	1.1
113.03544	1.1
114.01956	0.9
115.00391	0.8
115.05154	10.6
116.03565	0.9
125.03595	1.1
126.09238	2.4
126.10081	0.6
127.05008	0.6
129.06738	1.0
129.10342	5.7
130.06236	18.8
130.08719	3.4
132.03021	2.7
135.04478	0.7
139.08766	1.9
140.07156	2.1
141.10332	1.7
142.06219	2.1
143.11920	14.3
147.04503	0.8
151.08835	1.4
153.10326	2.2
154.06241	19.9
155.04631	1.8
155.26544	0.6
160.01718	1.0
160.04056	0.6
163.04094	0.7
166.06264	0.7
168.11446	2.5
168.79482	0.6
169.09842	4.9
172.07301	26.7
175.03969	0.7
176.03511	4.2
179.03568	0.7
180.03032	1.6
184.07246	1.3
186.12442	1.3
187.10927	5.8
191.05626	1.4
197.16608	2.1
200.03563	1.9
200.14017	3.4
202.08362	1.2
208.13504	1.5
209.11888	1.0
221.16690	1.1
225.13872	0.9
225.16109	2.8
228.13620	0.9
237.13707	0.7
256.20309	19.0
257.20630	1.1
266.06006	0.8
267.06641	1.3
267.14633	1.3
282.18237	1.6
300.19138	1.3
313.22485	10.3
323.09134	0.7
357.21512	1.6
366.06131	3.5
370.24469	1.8
398.08408	0.8
404.30347	0.7
411.22360	1.2
426.23706	1.3
456.24658	52.7
457.25092	4.2
468.16443	1.3
468.24612	7.3
486.25714	100.0
487.10422	1.0
487.19669	1.1
487.26514	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	486.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65274	0.7
88.04049	59.9
89.04402	0.5
146.07414	0.6
147.08154	3.4
149.09735	1.9
160.08994	0.5
160.64519	0.4
161.09749	0.7
163.11278	3.6
169.62206	0.4
187.11278	2.7
265.12384	0.9
279.13898	1.4
280.14679	1.0
307.16971	0.8
309.22180	2.5
321.18500	0.7
322.19540	0.4
330.76660	0.4
337.21747	100.0
338.22113	8.9
417.52280	0.4
486.26794	11.2
487.27280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.6
61.98824	2.1
64.99815	0.4
69.85700	1.3
69.86069	0.9
71.01384	1.5
72.99305	1.2
75.00867	1.6
85.02952	0.6
86.64812	0.5
87.00885	8.6
87.01727	0.5
88.98810	0.6
89.02450	1.2
96.95179	0.5
98.21941	0.5
101.02428	1.3
101.40289	0.6
103.00375	4.3
112.98801	1.8
118.02992	0.9
119.05025	6.2
121.02969	0.5
128.03481	0.7
130.99849	1.5
133.02942	0.9
134.03748	37.9
135.04054	1.3
137.02441	2.1
139.03969	0.6
145.02960	1.1
149.06076	12.9
161.04558	1.1
162.01917	0.6
163.03987	7.4
175.03937	0.7
178.02725	25.0
179.03053	0.8
193.05066	100.0
194.05397	2.7
235.06064	0.6
287.98712	0.5
325.09222	0.7
336.04089	0.5
355.10364	20.5
356.10657	0.6
455.13998	0.9
487.10342	2.4
494.66602	0.5
500.59598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21708	0.8
55.01888	1.5
57.03450	1.4
57.75774	0.7
59.01387	9.2
61.58212	0.8
61.98837	10.9
67.04932	0.9
69.21545	0.7
71.01392	7.6
71.41197	0.8
73.02944	4.3
75.00876	4.0
77.78320	0.8
78.82587	0.8
79.93992	0.9
81.03461	2.1
81.61609	0.8
83.01431	0.8
85.02961	2.9
87.00890	2.7
89.02467	4.1
93.03465	1.3
99.00897	2.8
99.04517	1.2
101.02473	4.4
108.02206	0.8
111.00900	2.4
113.02459	3.1
117.03452	0.9
119.05038	87.2
120.05386	3.1
121.02998	1.4
128.03539	1.1
133.03001	1.6
134.03770	4.7
135.04524	2.2
143.03528	2.0
145.02966	3.6
148.05330	7.9
149.06105	3.0
150.03235	1.3
154.19241	0.9
159.04585	2.3
160.01680	1.8
161.02452	3.6
161.04590	5.0
161.05980	1.4
163.04024	100.0
163.07648	10.2
164.04442	3.3
165.05649	1.0
174.03201	1.2
175.03989	5.8
176.04782	1.8
178.02725	1.2
179.03514	2.0
179.05626	2.8
187.04059	5.0
188.04805	1.4
189.05568	1.8
190.02710	1.2
191.07217	2.0
193.05075	5.0
201.05617	1.0
202.06419	1.1
204.07916	1.2
204.38699	0.9
205.05037	4.4
209.04501	1.2
218.05795	1.0
219.10350	2.0
229.08728	1.5
230.05902	2.4
233.08180	2.4
235.06152	7.9
245.08211	5.3
247.06084	1.0
263.09308	7.7
265.07166	1.6
277.07156	2.1
281.10583	0.9
289.07202	1.8
307.08279	2.3
311.11530	1.0
325.09283	8.7
381.82077	1.0
425.14572	4.5
451.18127	1.9
457.31253	0.9
469.13519	3.2
487.14703	17.0
488.14215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86723	1.1
57.03452	100.0
59.01384	58.2
60.68636	1.5
61.98840	1.8
63.63929	1.2
64.57524	1.2
69.03450	1.9
69.06368	7.1
71.01392	9.7
73.02953	5.0
75.48006	1.0
81.03459	1.5
83.01400	1.6
85.02957	10.2
87.00906	2.2
89.02463	2.4
89.84339	1.3
98.21835	1.9
99.04528	73.9
100.04872	1.3
101.02445	19.2
113.02454	2.3
117.33646	1.0
125.02459	27.6
128.05627	1.5
130.08734	1.8
145.05150	1.3
145.67964	1.2
157.75146	1.2
161.04625	2.1
172.13638	1.2
180.05835	14.5
193.06575	1.9
207.08202	2.8
209.11842	4.7
213.05630	1.9
223.07550	1.8
235.07513	1.8
307.19150	7.7
325.11005	6.0
325.20377	6.3
343.11862	40.0
344.12195	2.9
385.13065	3.7
468.37839	1.5
487.25745	4.6
514.39563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	100.0
59.01385	59.6
61.98831	1.8
69.25465	1.0
69.28918	2.0
69.29327	4.1
71.01395	10.6
72.99354	1.1
73.02953	4.2
78.08292	1.1
81.03452	2.2
82.56704	0.8
83.01402	2.5
85.02952	13.5
89.02461	3.4
91.63186	1.0
97.02975	1.5
99.04531	75.4
101.02449	22.5
107.49564	1.0
113.02453	2.5
125.02461	30.6
130.08704	1.3
130.54814	1.0
145.05067	2.4
148.49776	1.0
149.04622	1.4
161.04512	2.5
163.06168	1.6
171.10194	1.0
180.05823	16.2
181.06566	2.0
193.06583	2.2
207.08156	3.5
209.11835	5.6
213.05777	1.0
223.07527	1.5
235.07655	3.0
293.08572	1.1
307.19107	10.1
325.10785	8.2
325.20218	6.6
326.11234	1.4
343.11914	38.8
344.12100	2.5
385.12918	4.6
472.46854	1.0
487.19614	1.4
487.25522	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	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01709	0.8
69.33874	1.7
69.63949	0.4
71.01378	5.5
73.02952	15.9
75.00909	0.4
82.34512	0.5
82.35057	0.4
83.01385	3.2
83.15932	0.4
85.02980	1.8
89.02437	3.7
91.51424	0.5
94.79059	0.6
95.01393	0.7
96.96964	0.7
101.02448	13.5
101.03108	0.7
113.02457	5.4
119.03539	1.6
131.03520	1.4
143.03539	1.5
149.04575	3.1
161.04555	6.4
205.05042	0.6
221.06648	2.2
254.71907	0.5
265.98547	0.4
302.68420	0.4
333.83752	0.5
341.55011	0.5
449.78983	0.5
487.19937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3431
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
58.00599	0.6
71.05027	1.5
74.52209	0.5
76.08554	0.6
94.46850	0.6
98.22680	1.3
111.00820	0.5
140.03529	0.5
197.38264	0.5
423.32449	1.0
427.32248	1.8
430.80042	0.6
437.30453	0.8
443.35236	1.0
459.94559	0.6
467.31757	2.8
469.33279	12.4
470.33566	1.7
487.34326	100.0
488.34631	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	488.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65778	2.6
55.01880	2.8
59.01384	100.0
61.98824	9.5
68.01410	5.5
71.01382	15.6
71.21433	2.4
73.02959	5.2
76.85162	2.3
83.01391	3.9
85.02956	9.1
89.02504	2.8
93.03470	3.9
101.02470	8.2
110.02478	5.6
113.02451	5.6
151.51675	2.4
161.04585	4.0
176.03548	5.9
189.36668	3.0
201.05539	2.9
203.05557	2.4
223.06232	3.8
227.03619	4.3
227.07207	7.8
229.92920	2.9
230.06702	10.5
239.07109	7.3
250.09093	2.8
255.03180	6.3
274.37125	2.6
284.03293	5.6
445.93365	2.5
447.26013	8.3
487.32840	3.4
489.10107	4.8
489.21155	4.4
489.27298	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	488.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.9
61.98836	100.0
65.34108	1.7
67.81535	1.7
71.01385	5.8
71.41022	1.5
71.70694	1.7
73.02957	1.8
81.48646	1.5
81.88193	1.5
85.02946	2.8
85.54962	1.5
89.02460	4.2
93.33658	1.5
101.02448	2.8
119.05041	4.4
132.02177	1.8
134.03766	4.5
135.04510	1.5
151.60167	1.6
160.01698	6.3
163.03970	3.4
164.04388	2.1
175.04010	8.6
176.88202	1.7
191.05684	1.7
192.32718	1.6
193.05063	10.9
194.05328	2.2
211.06168	4.8
225.05586	1.8
227.66747	1.6
326.14197	3.5
489.16104	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	488.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
59.97080	0.8
61.98834	100.0
69.32098	3.9
71.01388	3.0
73.02960	1.0
74.23587	0.7
87.00891	0.7
92.80409	0.8
101.02477	1.9
113.02480	0.8
146.70016	1.0
176.03586	1.0
183.01312	1.1
188.98224	0.8
227.03693	1.3
255.03065	1.0
284.03461	2.1
354.54999	0.7
429.25076	1.5
447.26126	4.1
468.64664	0.7
488.25134	1.0
489.10526	1.3
489.21689	2.0
489.27499	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28511	0.3
59.01384	2.5
63.02400	0.5
65.00346	0.4
65.41067	0.3
69.22019	1.2
73.60358	0.3
79.09404	0.2
81.67282	0.3
83.01364	0.5
93.03469	0.9
98.21805	0.3
107.01393	1.6
107.64765	0.3
108.02157	0.4
109.02976	0.4
117.03490	0.6
132.02176	1.0
135.00894	1.2
136.02597	0.3
143.05034	0.7
145.03038	0.3
151.00386	2.7
154.04280	0.5
159.04543	0.9
163.00398	1.2
164.01198	0.6
165.01930	0.3
167.05023	0.4
178.99857	0.8
183.04512	2.1
184.04814	0.3
185.02444	0.4
185.06093	1.0
187.03987	1.1
199.03969	0.9
211.03969	2.8
213.02153	0.4
213.05521	0.7
215.03568	0.3
227.03513	52.3
228.03915	2.5
229.04982	2.8
239.03500	1.0
240.04285	0.4
241.05066	0.5
255.02992	84.3
256.03555	8.3
257.04590	1.8
283.02466	7.1
284.03275	100.0
285.04022	56.8
286.04388	2.9
339.05338	0.7
426.99176	0.4
429.08246	6.8
430.08554	0.6
447.09113	1.7
489.10413	49.2
490.10834	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	489.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83522	0.4
59.01376	1.8
63.02392	0.4
65.00326	1.0
68.38486	0.3
69.58760	1.6
83.01420	0.5
93.03483	0.5
107.01393	1.5
116.42209	0.4
117.03452	0.5
125.65911	0.4
132.02216	0.6
135.00900	1.1
145.02956	0.4
146.11763	0.4
147.00903	0.6
151.00380	2.7
157.58492	0.5
159.04526	0.9
163.00407	0.5
167.05061	0.5
172.05354	0.6
178.99886	0.6
183.04520	2.1
185.02499	0.5
185.06155	0.9
187.04037	1.1
195.04616	0.4
197.06105	0.6
198.03099	0.4
199.04143	0.6
211.04034	3.3
213.05565	0.5
227.03523	67.9
228.03896	3.7
229.04980	2.9
239.03438	0.9
241.05014	0.5
248.25829	0.4
255.03000	95.5
256.03613	10.1
257.04462	2.3
269.04489	3.0
283.02493	6.1
284.03284	100.0
285.04025	55.5
286.04379	2.4
429.08249	9.9
430.08594	0.6
447.09201	0.6
489.10419	71.9
490.10736	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	489.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
63.02411	0.3
65.00328	0.4
73.02956	0.4
74.72713	0.3
83.01392	0.5
85.02974	0.5
89.02493	0.3
93.03455	0.4
98.21885	0.6
101.02431	0.4
107.01387	1.0
115.65304	0.3
125.02432	0.7
125.62007	0.2
132.02185	0.3
135.00896	0.5
143.05061	0.4
151.00360	2.5
153.01923	0.4
157.06660	0.3
163.00391	0.8
165.71173	0.3
175.04012	0.4
178.99933	0.3
182.03554	0.3
183.04517	1.8
185.02527	0.4
185.06058	0.6
187.03990	0.7
193.01727	0.3
199.03976	0.4
211.04012	2.1
212.04845	0.3
213.05557	0.4
222.46225	0.3
227.03511	78.3
228.03862	4.4
229.05025	1.9
241.05045	0.4
243.03070	0.4
252.42400	0.3
255.02995	100.0
256.03629	12.4
257.04388	1.4
269.04486	0.6
283.02457	0.7
284.03281	79.3
285.04007	29.0
285.07388	0.7
286.04306	1.4
309.17358	0.3
327.05066	0.9
429.07846	0.3
447.09219	1.3
483.98218	0.3
489.10419	99.5
490.10751	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	489.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60121	0.5
56.32578	0.5
57.03446	1.2
58.95944	0.4
59.01384	6.7
59.35604	0.4
59.96207	0.5
60.18280	0.4
60.26235	0.5
61.98837	0.7
62.29758	0.5
69.18758	1.2
69.19161	1.8
73.02951	0.6
75.84197	0.4
83.01408	0.8
85.02946	0.5
89.02452	0.8
93.03443	0.4
94.38774	0.4
95.78308	0.4
96.08109	0.4
97.64246	0.4
98.22658	0.9
99.04526	1.3
101.02477	1.3
107.01424	0.6
107.29431	0.5
113.02446	0.8
123.04511	0.7
125.02458	1.5
151.00404	2.9
160.15698	0.5
175.04065	0.7
183.04523	1.6
190.67540	0.5
211.04018	1.9
227.03516	73.6
228.03960	3.6
229.05161	1.4
255.03011	88.1
256.03595	10.4
257.04562	1.1
269.04550	0.6
278.37534	0.6
281.18417	0.5
284.03296	77.0
285.03986	17.2
286.04468	1.0
323.10104	0.9
327.05200	1.1
444.85214	0.7
447.09402	1.9
489.10428	100.0
490.10718	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	489.1407
Annotation	5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside
Peak:m/z	Relative Intensity
55.01875	1.5
59.01387	23.3
60.23438	0.9
68.66482	1.0
70.99445	1.2
71.01389	15.6
73.02942	2.3
75.00887	9.9
83.01378	1.2
85.02958	3.4
87.00868	1.9
89.02445	14.9
89.03981	1.5
93.03463	12.0
95.01371	1.3
96.99331	1.9
98.22632	1.1
101.02459	10.0
108.02191	1.0
111.00864	1.2
113.02439	3.7
115.00357	2.5
115.08324	0.9
117.03471	3.6
119.03580	4.3
119.05045	13.6
121.02972	1.2
123.04553	1.2
129.01973	3.0
131.03511	1.2
131.05086	4.6
132.02176	18.4
133.02925	3.0
134.03755	51.4
135.04579	13.0
143.03712	0.8
143.05042	3.1
145.02975	2.1
145.06580	3.8
147.04546	4.8
148.05292	2.2
149.06105	7.9
151.06088	3.8
158.03726	0.9
159.04520	3.7
160.01677	86.3
160.72598	0.9
161.02075	3.7
161.04456	1.2
161.08195	1.0
161.72412	0.9
162.03221	2.5
163.03990	5.3
165.04027	1.5
171.04544	3.3
173.06078	1.9
175.04022	87.0
176.04738	10.5
177.01997	1.3
177.05615	4.7
178.02765	2.2
179.03473	3.0
179.05423	0.9
191.05595	1.3
191.07123	12.6
192.04317	1.1
193.05078	62.9
193.26631	1.0
194.05429	1.5
205.05016	1.3
207.06598	5.2
210.06898	7.3
211.07666	18.5
217.05020	0.9
220.03845	1.4
221.91202	1.0
223.07680	3.9
235.06071	38.1
236.08307	1.5
237.09254	34.6
238.09735	2.1
239.10812	9.5
253.08710	5.5
263.07162	1.6
264.07928	2.2
265.06882	4.1
265.08768	6.6
295.08185	11.7
308.07080	2.3
308.45886	0.9
309.07709	2.0
327.09369	24.8
328.09708	1.4
337.09186	3.5
355.10315	2.7
453.19681	1.4
489.14999	100.0
490.15009	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84431	0.5
51.08830	0.6
55.01860	1.6
58.87941	0.6
59.01384	17.9
71.01035	0.9
71.01389	13.1
73.02926	2.0
73.12811	0.6
75.00539	0.6
75.00880	6.3
75.85958	0.6
82.25721	0.6
83.01372	1.5
85.02957	3.2
87.00882	1.1
89.02452	10.4
93.03466	5.9
96.87394	0.6
99.00825	0.5
101.02458	8.8
108.02195	0.7
111.00922	0.8
113.02464	4.1
115.00383	1.3
117.03483	3.2
119.03548	3.6
119.05020	6.5
121.02967	0.7
129.01947	1.8
130.04288	0.8
131.05020	1.9
132.02184	17.5
133.02995	3.0
134.03752	47.5
135.04568	8.7
137.02435	1.0
143.03442	0.9
143.05031	1.6
145.06619	1.8
147.03160	0.8
147.04543	2.8
148.05309	2.3
149.06094	7.1
151.06149	3.9
151.07182	0.6
158.03722	1.1
159.04514	1.4
160.01669	82.4
160.53145	0.6
161.02158	2.3
161.04521	0.9
163.04036	3.4
165.04059	1.2
165.05554	1.1
171.04492	1.6
173.06067	1.8
175.04018	100.0
176.04732	9.1
177.01952	1.7
177.05515	1.9
178.02730	2.6
179.03510	2.9
179.05603	0.8
180.85739	0.6
191.05597	1.4
191.07158	13.0
192.04404	1.3
193.05067	76.9
194.05421	2.5
202.02657	1.0
207.06604	5.8
210.06894	2.7
210.48331	0.7
211.07639	9.0
220.03809	2.1
223.07756	1.2
235.06096	43.6
236.06364	0.9
236.08484	0.9
237.09219	16.0
238.09917	0.9
239.10793	4.2
253.08737	1.8
263.07336	1.2
264.07959	1.2
265.07230	5.2
265.09097	2.1
283.10086	0.9
295.08179	9.2
309.07626	0.8
327.09351	18.3
328.09738	0.8
337.09210	3.2
355.10315	2.1
489.15939	80.1
490.16098	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03437	0.7
59.01384	18.3
61.98835	6.9
71.01391	11.6
71.39519	0.7
71.41133	0.9
72.99290	0.7
73.02943	2.7
83.01366	1.3
85.02969	3.9
87.00858	1.8
89.02446	7.6
91.01886	1.0
93.03465	2.3
99.00869	1.1
101.01867	1.0
101.02461	8.6
113.02469	4.3
119.01379	6.0
119.03506	1.3
119.05030	6.6
121.02962	3.3
121.05087	4.7
123.04581	0.8
125.02441	1.0
131.03445	0.9
133.02951	0.9
133.05090	1.3
134.03755	6.3
135.04526	2.1
136.01601	1.6
147.00906	4.3
147.04529	1.9
149.02452	19.5
149.04382	0.9
149.06093	2.5
150.03134	0.7
151.03996	3.4
160.01692	2.5
161.02429	0.9
161.04588	1.5
162.03281	1.4
163.04008	6.0
164.04811	22.5
165.01923	2.0
165.05525	1.7
167.46829	0.6
175.00378	32.8
175.03938	4.1
176.00896	1.1
177.05652	1.7
179.05728	1.1
179.07069	3.1
189.02019	0.9
190.02736	92.3
191.03171	4.1
192.04166	0.7
193.05070	2.9
205.05069	100.0
206.05556	4.1
208.03827	2.0
209.04518	1.0
210.06882	0.9
211.06000	1.3
211.07707	5.2
221.08243	1.7
223.06129	42.4
224.06516	1.4
235.06113	1.5
239.10756	1.6
256.03247	0.8
265.07077	6.7
283.10049	2.1
295.08206	0.9
299.05688	0.6
325.09418	1.3
357.09628	0.7
367.10202	1.8
453.19644	0.8
474.13361	0.9
489.16183	86.2
490.16510	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	489.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
59.01385	20.5
61.59150	0.7
67.05256	0.7
69.30482	2.9
69.30890	1.8
71.01390	12.8
73.02949	2.4
75.00880	1.6
78.91862	1.1
83.01400	1.1
85.02956	3.3
87.00872	1.5
89.02456	11.9
93.03461	1.9
95.01394	0.8
96.96020	0.8
99.00880	1.3
101.02460	7.7
105.41067	0.7
113.02494	4.4
117.03509	3.6
119.03488	2.7
119.05042	3.9
132.02184	17.9
133.02985	2.8
134.03758	48.5
135.04495	3.1
147.04524	1.8
148.05338	2.0
149.04662	1.1
149.06102	6.8
151.06105	3.8
158.03714	0.9
160.01675	87.6
161.02129	2.7
162.03236	1.4
163.04056	2.0
163.07671	0.8
165.04329	0.8
165.05591	2.7
173.06097	1.5
175.04021	100.0
176.04770	8.6
177.01944	1.8
177.05626	1.3
178.02763	3.1
179.03441	1.3
191.05641	0.8
191.07156	12.1
192.04327	0.9
193.05078	69.0
194.05415	2.0
205.05008	0.9
207.06633	5.9
211.07652	1.3
217.05046	1.0
220.03789	1.7
232.64801	0.9
235.06119	47.6
236.06572	1.3
237.09250	2.8
239.01553	1.3
239.10689	1.7
265.07098	8.8
289.07120	0.9
295.08197	10.6
318.28281	0.9
337.09390	3.7
355.10345	2.1
489.16187	65.5
490.16721	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	489.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00569	1.0
59.01385	74.6
61.98839	4.3
71.01387	42.4
71.42256	1.1
72.99316	1.5
73.02566	1.3
73.02951	20.6
80.79303	0.8
85.02945	3.4
87.00894	1.4
89.02453	100.0
90.02795	0.8
97.02955	1.4
99.00889	32.2
101.02454	36.6
113.02463	6.2
119.03506	3.9
125.02435	3.6
128.03535	1.5
128.97412	0.8
131.03525	18.1
134.03767	2.3
143.03532	1.5
149.04572	70.6
161.02446	1.8
161.04579	2.9
162.03247	57.4
163.03497	1.8
165.05554	0.9
172.20268	0.8
175.00352	1.1
177.05588	78.3
178.05916	3.0
190.02673	1.6
191.05614	15.9
193.05083	1.5
195.29546	0.8
205.05016	1.6
218.97401	0.7
221.06735	4.7
223.06097	1.8
226.11201	0.8
231.55757	0.8
251.07780	4.9
293.08591	1.1
311.09766	1.9
357.09482	1.3
360.19580	1.3
455.81882	0.9
489.15891	7.7
489.23514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84049	0.8
57.00059	0.9
59.01385	24.0
59.51906	1.1
61.98830	1.2
61.99273	0.9
65.61612	0.9
69.48228	2.2
69.48611	1.9
71.01016	1.0
71.01389	11.2
73.02949	3.6
83.01383	1.1
85.02969	4.3
87.00865	3.4
89.02451	10.5
91.74095	0.9
91.94755	1.1
95.01361	1.2
98.60529	1.1
99.00896	1.2
101.02464	10.2
107.34287	0.9
110.74969	0.9
111.00836	0.9
111.08251	0.9
113.02466	5.4
117.03449	3.2
119.03503	2.3
119.05031	1.5
131.03511	1.0
132.02187	20.5
133.02921	3.0
134.03757	50.1
135.04500	1.5
147.04524	2.9
148.05296	2.9
149.06097	7.5
151.06149	3.4
160.01675	90.8
161.02103	3.7
161.04500	1.5
173.06110	2.6
175.04018	100.0
176.04739	10.2
177.01978	1.9
178.02739	3.5
191.05479	1.1
191.07161	14.2
192.04250	1.0
193.05074	73.4
194.05408	1.8
207.06653	5.2
217.04959	1.1
220.03821	2.2
235.06136	47.5
236.06416	1.7
265.07147	8.3
295.05154	1.6
295.08197	11.1
337.09280	3.5
355.10294	3.3
421.72318	1.0
489.16089	70.3
490.16446	4.5
490.22620	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03457	1.8
58.00603	1.7
59.01384	100.0
61.86300	0.8
61.98829	3.1
69.03461	2.8
69.25816	2.0
69.26236	3.5
71.01387	76.9
72.99323	2.4
73.02955	27.0
75.00890	1.8
81.03470	0.9
83.01401	6.1
85.02951	16.1
87.00890	3.8
89.02453	93.6
90.02819	1.1
90.52177	0.8
93.03532	0.8
95.01408	4.1
97.02961	4.6
98.21319	0.9
99.00887	29.9
99.04521	1.3
101.02449	50.4
102.02838	1.0
102.24344	1.0
103.01460	1.0
109.02991	0.9
111.00881	1.0
113.02459	20.4
114.38078	1.0
115.04015	4.4
119.03503	13.4
119.04958	0.8
125.02452	9.9
129.01920	0.9
131.03517	15.0
134.03787	2.2
143.03482	5.3
149.00876	1.0
149.04572	48.3
158.02475	1.0
159.03041	1.8
160.01732	2.4
161.04570	17.8
172.47337	0.8
175.00421	2.4
175.04012	2.6
176.04762	0.9
177.09160	5.0
179.05638	5.0
182.18884	1.0
190.02783	4.2
191.05637	12.8
193.05156	1.8
195.10196	4.6
205.05145	5.8
221.06639	1.6
223.06128	2.2
225.02103	0.9
227.03596	1.2
227.93637	0.9
233.06674	5.3
240.03183	1.3
251.07791	4.7
255.03055	2.3
293.08786	5.9
311.09711	1.4
326.04810	0.9
327.03946	8.8
357.10556	1.8
357.15625	17.2
358.16113	1.1
489.19958	95.1
490.10040	3.5
490.20306	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	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	21.6
59.01387	100.0
61.98826	3.1
71.01385	13.4
73.02956	7.8
75.00901	0.8
75.69812	0.7
81.03477	0.9
83.01411	1.8
85.02937	3.8
87.00882	1.0
89.02458	8.1
95.01390	1.1
97.06612	0.9
97.21947	0.7
98.95599	0.8
99.00864	1.0
99.04536	8.3
101.02455	14.0
109.02966	2.5
111.00871	0.9
113.02455	6.6
119.03509	3.1
119.05068	1.7
120.99648	0.8
121.02961	0.9
121.10268	1.0
125.02470	4.6
131.03502	1.0
134.03767	1.2
135.02985	0.8
160.01712	0.9
161.02426	0.7
161.04564	3.4
163.04019	1.3
179.05562	1.1
183.10274	11.2
227.03546	2.2
239.10844	3.9
255.02974	2.4
283.09863	1.9
284.03247	1.6
285.04102	1.1
301.16571	1.0
323.09698	1.5
327.14490	0.9
345.15573	15.6
346.15829	2.1
353.06604	0.8
387.16574	7.9
403.19913	1.5
427.19348	1.6
445.20767	2.9
489.09836	1.6
489.26816	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	489.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	21.6
59.01387	100.0
61.98826	3.1
71.01385	13.4
73.02956	7.8
75.00901	0.8
75.69812	0.7
81.03477	0.9
83.01411	1.8
85.02937	3.8
87.00882	1.0
89.02458	8.1
95.01390	1.1
97.06612	0.9
97.21947	0.7
98.95599	0.8
99.00864	1.0
99.04536	8.3
101.02455	14.0
109.02966	2.5
111.00871	0.9
113.02455	6.6
119.03509	3.1
119.05068	1.7
120.99648	0.8
121.02961	0.9
121.10268	1.0
125.02470	4.6
131.03502	1.0
134.03767	1.2
135.02985	0.8
160.01712	0.9
161.02426	0.7
161.04564	3.4
163.04019	1.3
179.05562	1.1
183.10274	11.2
227.03546	2.2
239.10844	3.9
255.02974	2.4
283.09863	1.9
284.03247	1.6
285.04102	1.1
301.16571	1.0
323.09698	1.5
327.14490	0.9
345.15573	15.6
346.15829	2.1
353.06604	0.8
387.16574	7.9
403.19913	1.5
427.19348	1.6
445.20767	2.9
489.09836	1.6
489.26816	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	489.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65134	2.2
64.67924	2.6
69.20510	12.7
74.82040	2.2
109.65060	2.3
148.00961	2.4
165.12860	15.4
178.81129	2.1
181.23961	2.7
197.02197	6.0
247.20636	4.7
273.18646	6.0
285.09586	2.9
291.19702	100.0
292.20050	7.9
332.63464	2.3
489.22339	3.4
508.77200	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	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98841	6.3
70.93349	0.7
71.01398	5.4
72.99335	1.7
73.02939	1.2
83.01404	0.9
85.02956	2.0
89.02454	2.9
98.22608	2.7
99.00891	1.3
100.25758	0.8
100.93411	0.8
101.02460	5.1
113.02470	1.7
119.03558	1.1
121.02972	1.1
125.02451	0.9
132.02098	0.9
139.07680	0.8
140.31868	0.8
152.03513	1.2
158.37122	0.8
161.04584	2.1
175.02486	1.7
214.25206	0.9
227.03519	15.4
255.03032	16.0
256.03564	1.8
284.03275	12.2
285.04053	14.5
357.09842	1.0
429.08276	1.7
474.15509	1.1
489.10287	11.3
489.19867	4.9
490.10638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.1
55.23112	3.8
57.03449	7.2
57.12251	3.4
59.01385	100.0
61.98828	14.3
64.96024	3.9
71.01385	62.8
73.02955	24.2
83.01418	8.9
85.02953	30.3
87.04479	3.6
89.02453	30.7
95.01380	7.9
96.96039	10.5
97.02950	4.4
99.00873	9.7
101.02456	51.7
101.05902	3.7
111.00853	4.3
113.02453	20.6
113.53696	3.5
119.03505	5.8
125.02478	7.8
131.03432	6.2
144.60643	3.7
149.04565	8.6
159.02989	5.7
160.72049	3.6
161.04578	21.5
177.76146	3.2
190.11890	3.8
191.05598	6.9
228.03888	5.2
241.00264	4.5
255.02971	7.5
256.03268	10.6
284.03220	7.1
285.03726	18.9
286.04367	9.5
310.21002	4.5
315.18115	20.0
357.38828	4.5
398.41010	3.7
405.08594	5.1
447.22333	96.7
448.22421	6.0
490.10764	18.7
490.27203	29.7
491.28934	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	490.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.6
59.01387	73.8
69.20525	6.2
69.20940	13.2
71.01390	48.1
73.02955	16.8
83.01388	3.9
85.02956	11.8
89.02448	65.3
99.00903	13.4
101.02444	31.5
113.02471	12.0
118.31425	2.6
119.03508	8.8
122.02517	5.9
131.03523	10.5
133.01711	32.5
143.03532	3.5
148.04028	4.7
149.04559	35.5
161.04660	3.9
179.05629	2.6
191.05656	10.9
211.02814	3.5
234.52451	3.5
254.04654	4.2
255.01646	3.7
257.03430	4.3
272.05688	7.2
283.01300	22.9
287.08026	10.3
298.03568	43.6
313.05945	72.6
328.08295	100.0
329.08786	4.7
346.09271	10.0
447.22409	49.8
448.22739	4.5
490.27502	4.4
510.38980	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	491.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.1
58.00607	2.9
59.01388	52.9
59.71463	1.8
60.99309	14.2
61.98837	43.5
69.15319	14.0
71.01387	27.2
73.02957	10.1
75.00911	2.3
79.47105	1.9
83.01369	3.6
85.02962	9.3
86.00095	2.1
87.00872	6.2
88.98818	100.0
89.02457	61.4
95.34010	2.0
98.21896	4.8
99.00909	8.0
99.04539	3.5
101.02455	21.8
103.37276	2.0
104.11603	2.3
104.87646	1.9
111.00900	6.7
111.54585	2.0
113.02480	12.1
119.03526	7.8
123.00129	2.3
126.85769	1.9
133.02974	2.3
134.73717	2.1
148.04085	4.6
149.02524	13.4
149.04559	6.8
149.06049	4.0
150.05609	2.8
159.10204	2.2
161.04578	3.8
164.03619	3.8
179.05582	2.4
193.05095	2.8
196.03757	7.0
293.09271	3.2
311.10217	3.8
329.10330	4.1
329.13950	5.8
342.11908	2.2
359.16882	4.9
491.19989	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.2
60.01225	0.6
61.98804	0.7
69.25023	0.6
71.01385	7.3
73.02899	0.7
74.09834	0.5
83.01352	0.5
85.02963	2.7
89.02446	5.4
90.23257	0.5
91.21265	0.5
95.01353	0.5
101.02460	4.0
113.02457	3.4
117.03413	1.5
119.03461	2.0
123.04494	1.7
132.02182	14.7
133.02068	0.7
133.02980	12.7
134.03754	14.8
135.04541	17.6
147.04504	1.4
148.05315	1.3
149.06107	2.7
160.01665	68.1
161.02454	48.5
162.02733	1.0
175.04012	100.0
176.04451	5.4
177.05515	0.7
178.02711	1.3
179.03532	3.3
180.78152	0.5
191.05655	0.6
191.07198	2.9
191.08705	0.6
193.05054	10.7
207.06636	1.1
221.04533	0.8
227.03514	5.3
228.03850	4.2
229.04074	4.3
235.06131	4.7
255.03029	5.5
256.03351	5.8
257.03650	6.2
265.07352	0.6
284.03354	4.5
285.03635	4.6
286.03870	7.2
287.04688	2.1
295.08218	1.0
297.09946	1.3
304.66141	0.6
315.10855	9.5
315.13977	0.8
491.16171	65.6
492.16174	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	491.1564
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
55.01870	0.5
57.03449	2.4
59.01385	28.5
61.98840	2.5
69.03445	0.4
71.01019	0.7
71.01389	10.5
72.99348	0.4
73.02958	2.5
74.03343	0.4
80.91718	0.5
83.01389	0.8
85.02961	2.9
87.00874	0.8
88.06911	0.5
89.01933	0.7
89.02456	7.9
95.01365	0.6
99.04527	1.8
101.02446	7.2
104.02680	0.4
109.60857	0.3
113.02451	4.5
117.03485	1.1
118.98097	0.5
119.03520	2.6
121.06559	0.3
123.00961	0.4
123.04514	1.7
125.02466	1.1
131.03508	0.4
132.02179	15.6
133.02985	12.0
134.03764	15.1
135.04544	19.4
136.04848	0.5
137.02501	0.5
143.03519	0.5
147.04544	1.4
148.00414	0.7
148.05295	1.0
149.04619	0.6
149.06085	2.6
150.03175	0.5
153.05573	1.1
160.01671	63.7
161.02457	45.6
161.04601	1.3
162.02835	1.5
167.10713	0.5
175.04016	100.0
176.04538	5.7
177.01944	0.4
177.05547	0.8
178.02704	1.5
179.03519	3.0
179.05573	0.8
191.07153	3.2
193.05063	10.9
193.06772	0.8
195.10295	0.7
207.01756	1.5
207.06616	1.1
220.03809	0.8
221.04601	0.6
222.04063	1.9
235.06157	5.3
241.14420	0.7
243.90932	0.4
265.07220	0.8
281.06674	0.5
295.08167	0.9
297.09903	1.2
298.03641	0.6
315.10858	9.7
329.23352	0.5
330.06384	0.6
371.20914	0.7
377.06094	0.4
431.23251	0.8
461.17853	0.6
491.15631	69.0
492.16287	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	491.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81137	71.8
52.96394	69.3
53.53138	76.6
56.84542	68.6
60.32835	71.8
61.34665	77.3
71.31326	100.0
73.33252	70.4
88.85607	77.5
218.95139	89.3
258.30609	79.1
509.41470	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	8.4
58.99599	2.4
59.01386	100.0
60.01698	2.7
61.98834	22.5
68.25884	1.8
69.01648	1.5
69.23618	4.0
69.24002	4.9
71.01386	35.8
73.02946	11.8
74.95348	1.7
83.01391	3.0
85.02961	9.7
87.00889	7.4
87.90612	1.6
89.02448	22.9
95.01378	3.9
98.34434	1.7
99.00901	2.4
99.04543	5.3
101.02457	29.1
101.06124	1.7
102.98622	22.1
113.02460	19.0
116.15812	1.8
116.92855	2.7
119.03542	8.4
123.04541	2.5
125.02493	2.2
129.38942	1.6
132.02136	4.0
133.02962	6.9
134.03761	4.0
135.04515	6.2
143.03513	2.9
149.04564	2.3
159.06660	2.8
160.01682	17.2
161.02487	21.0
161.04562	12.4
163.11282	3.1
175.04022	29.8
179.03438	2.2
179.05666	8.8
181.12398	2.3
193.05083	2.7
203.14346	4.8
249.06305	2.6
249.09842	4.6
268.07248	2.3
269.17746	2.7
269.43210	1.6
269.83438	1.7
270.07977	2.4
271.02554	3.2
272.03278	2.3
283.04889	19.4
315.10880	3.2
329.05365	5.8
330.06186	7.0
431.22931	31.3
432.23260	3.8
453.23401	7.2
491.15240	29.1
491.25058	7.5
491.30957	5.3
492.16370	2.2
516.09381	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	491.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00837	0.8
54.21984	0.7
55.01884	1.5
57.03452	7.4
59.01385	100.0
61.98836	7.4
71.01387	17.8
73.02943	7.1
75.00890	1.0
83.01432	2.2
85.02951	5.4
86.00101	1.0
87.00900	2.0
89.02458	13.5
91.29517	0.8
95.01393	1.6
99.00900	0.9
99.04536	6.8
101.02449	14.6
113.02473	7.7
119.03510	6.4
123.04544	2.2
125.02482	2.2
134.03682	1.0
143.03502	2.8
159.06688	3.2
160.04057	3.9
161.04604	8.4
163.11273	1.5
179.05614	6.5
181.16068	0.8
191.92792	0.8
203.14377	3.2
237.86348	0.8
243.12555	0.9
249.09886	4.5
269.17569	2.3
347.17078	0.9
401.21420	0.8
431.22885	18.7
432.23169	2.4
491.20044	1.7
491.29178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2609
Annotation	Anthriscifolcine D
Peak:m/z	Relative Intensity
57.03458	0.6
59.01385	100.0
59.27423	0.3
60.01723	0.7
61.98834	1.1
69.09521	1.9
71.01389	2.9
73.02954	0.5
80.64312	0.3
85.02968	1.0
87.00886	0.3
87.04533	1.0
89.02456	2.9
96.96025	2.5
99.00910	0.9
99.04533	0.3
101.02464	2.4
113.02460	1.2
119.03560	0.6
121.03058	0.4
131.03551	0.5
138.02032	0.4
149.04640	0.5
152.07033	0.3
161.04607	0.7
168.62357	0.4
179.05687	0.4
181.86081	0.3
197.05624	0.5
240.16098	0.3
303.71762	0.3
349.08569	0.5
352.98587	0.3
492.13925	0.3
492.18021	0.6
492.24933	3.9
493.19357	2.1
519.48297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48030	0.6
53.01406	0.5
55.01879	4.0
57.03452	3.2
58.00586	0.8
59.01385	33.3
60.01719	0.6
60.06303	0.6
61.98839	6.4
69.03445	0.8
69.21495	3.3
71.01387	27.8
72.99306	1.1
73.02953	15.7
75.00880	0.9
83.01398	6.5
84.02210	0.6
85.02954	16.8
86.00099	0.7
87.00890	1.7
88.04044	1.2
89.02454	5.2
95.01397	2.5
97.02950	1.5
99.00894	4.6
99.04454	0.6
101.02450	24.2
102.02782	1.0
111.00900	4.2
113.02463	11.1
115.03983	0.7
119.03449	1.2
124.39707	0.6
125.02505	0.7
129.01976	1.3
159.03000	3.2
161.02448	1.3
161.04530	3.9
163.04106	0.6
197.11888	1.5
211.02773	0.8
239.20140	1.1
241.21747	1.0
242.04614	0.5
255.03049	1.1
269.21188	5.8
283.02390	1.7
298.03644	1.1
298.23923	3.0
316.04608	0.7
330.06134	3.6
330.26511	9.5
361.22299	0.9
431.26501	3.1
432.26910	1.2
443.26273	0.8
450.27777	1.1
460.29373	3.6
461.29526	0.6
492.31866	100.0
493.32214	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	493.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.0
55.28658	0.9
57.03452	7.6
59.01385	55.0
61.98841	2.0
69.03457	3.1
69.24141	5.2
71.01388	100.0
72.01751	1.3
72.99313	1.7
73.02951	43.4
75.00883	3.8
81.03459	2.1
83.01387	16.6
83.05016	0.9
85.02956	46.0
85.88619	1.0
87.00894	4.8
89.02454	30.6
90.14964	0.8
93.03475	2.6
95.01395	6.8
97.02984	7.7
99.00890	17.4
99.04536	2.0
101.02451	75.0
102.02778	0.9
111.00874	2.4
112.26500	1.0
113.02463	38.0
113.03260	1.9
115.04020	4.7
119.22207	0.9
122.02512	1.6
123.04555	1.4
125.02460	14.0
127.03944	1.0
129.01942	2.4
131.03499	6.6
135.04533	1.6
143.03514	6.7
147.04666	0.8
149.04561	3.4
150.01982	3.2
151.02817	0.9
152.85464	0.8
159.02994	8.7
161.04572	60.5
161.99962	0.9
162.05652	2.4
181.03850	1.4
182.04633	2.9
191.05637	4.1
196.06158	1.2
199.04053	2.3
205.03349	1.0
215.56013	0.9
226.08757	1.0
228.03152	1.3
233.06653	12.5
241.03874	7.2
242.04666	1.9
242.08362	1.7
252.06747	1.4
261.06339	0.8
268.02505	1.8
268.06241	0.8
270.07672	9.6
272.48996	0.8
285.02942	2.0
288.40390	0.8
293.08777	6.6
294.00366	0.9
295.07315	1.7
296.05688	4.4
300.05170	8.7
332.07755	5.4
345.52557	0.8
355.87418	1.1
361.12964	47.9
361.22491	1.5
362.13373	3.2
424.06732	1.1
447.22501	4.4
461.09988	3.3
462.10745	2.1
493.17319	60.3
493.30759	6.5
494.11832	1.6
494.18759	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	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01384	89.0
59.01641	0.8
59.01706	1.2
61.98837	2.9
69.78611	2.3
69.78982	3.7
71.01390	29.5
73.02948	25.5
81.03441	1.7
83.01404	6.7
85.02953	5.0
87.00867	1.0
89.02453	21.4
93.03436	1.9
95.01386	2.1
97.02985	1.1
97.06578	1.8
99.04528	89.5
100.04878	1.4
101.02450	46.1
113.01723	1.7
113.02464	19.6
113.06100	2.7
119.03535	9.6
123.04541	10.4
125.02450	28.4
131.03511	3.6
133.76456	1.3
134.03758	6.9
136.01660	3.5
137.02451	2.2
141.05519	1.9
143.03500	6.7
149.04543	6.4
149.06064	1.5
151.04005	4.0
153.05602	1.8
161.04547	12.2
179.05603	8.7
191.05646	1.1
193.05045	4.5
221.06674	3.0
251.16568	1.3
331.17651	5.4
349.18695	8.6
368.80594	1.2
390.23099	1.5
391.19620	4.0
431.22849	1.9
433.11053	1.6
493.14655	2.8
493.22800	25.6
494.23013	2.6
497.19785	1.4
502.18182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03452	98.8
58.03771	1.4
59.01382	100.0
61.23370	0.9
61.98832	1.6
69.03448	1.6
69.23287	5.1
71.01385	32.8
72.99294	0.8
73.02950	45.5
73.42221	0.8
74.03268	0.8
75.00836	0.8
79.05524	2.7
81.03453	4.8
83.01390	11.2
85.02964	7.6
87.00883	2.1
89.02453	23.1
90.98617	0.8
92.62949	0.9
93.63390	0.8
95.01377	1.9
95.05027	2.4
97.02948	1.2
97.06576	3.0
99.00871	1.0
99.04526	92.2
100.04854	1.3
101.02450	59.6
102.02766	0.8
108.02194	0.7
109.06580	2.8
113.02456	26.6
113.06087	5.1
118.98064	0.8
119.03519	12.3
123.04532	25.3
125.02457	40.2
131.03505	4.7
141.05600	3.9
143.03522	9.0
147.99452	0.8
149.04588	6.2
153.05556	5.2
155.03488	1.4
155.10805	1.1
160.04109	0.9
161.04572	26.3
166.82686	0.8
179.05602	9.3
199.09724	1.8
203.05579	1.8
221.06671	3.0
226.44504	0.7
263.07678	3.2
275.85483	0.8
323.09808	3.8
427.71521	0.8
449.23715	1.3
493.22775	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	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64888	0.7
55.01863	0.8
57.03454	32.4
58.00611	1.3
59.01385	100.0
60.01719	0.9
61.98836	3.1
69.56162	3.5
71.01390	42.9
72.26400	0.9
72.99305	1.6
73.02959	6.9
74.02892	0.8
75.00879	0.9
83.01424	4.0
85.02966	11.5
87.00903	1.8
89.02455	46.0
93.03457	0.9
95.01412	3.0
99.00906	1.7
99.04527	25.0
101.02454	31.6
111.00906	1.4
112.97746	0.9
113.02461	22.1
119.03511	20.7
125.02451	10.5
131.03491	2.5
133.89313	0.8
134.03745	6.5
135.04529	1.3
137.02519	1.3
143.03526	3.7
149.04579	1.7
149.06012	1.1
149.70465	0.8
160.01688	2.9
160.04077	1.4
161.04546	5.5
175.04012	3.6
177.38274	0.9
178.02715	2.8
179.05626	5.8
187.13416	2.8
191.05614	1.7
193.05084	7.9
207.01762	0.9
300.05075	1.3
331.17593	6.4
337.09177	1.5
337.84445	1.0
349.18726	13.7
383.83057	0.9
391.19638	4.1
394.44080	0.9
395.75232	1.0
398.58966	0.8
449.10574	1.0
457.13501	0.8
464.73340	0.9
493.23102	22.1
494.23288	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03453	67.0
59.01383	100.0
60.01725	1.0
61.98835	39.8
69.03463	1.2
71.01382	25.9
71.01786	1.3
73.02950	10.2
81.03487	1.8
83.01395	5.1
85.02955	9.9
87.00900	2.1
89.02448	15.1
92.21050	0.8
95.01420	2.8
97.02955	1.6
99.00886	1.8
99.04523	65.2
100.04862	1.3
101.02445	35.5
101.06069	1.2
107.44164	0.9
111.00891	1.7
113.02454	12.9
119.03510	4.2
123.04507	0.9
125.02459	24.0
125.30453	0.9
131.03525	2.1
134.03740	1.9
143.03519	3.1
149.04536	2.5
158.51143	0.8
159.03116	1.0
160.01666	1.6
160.04022	2.1
161.04538	8.4
163.04068	1.0
164.44904	0.9
175.04005	2.1
179.05640	1.9
191.05597	1.3
193.05055	3.5
209.06662	0.9
281.11792	0.8
282.13052	0.8
285.02808	3.0
287.15149	1.7
300.05106	3.1
305.16055	21.4
306.16437	1.8
331.17670	8.5
332.07751	2.2
347.17172	6.9
349.18835	1.1
361.18604	5.9
373.18637	2.4
375.11902	0.9
387.20062	1.4
421.27463	1.2
433.24368	3.1
457.17255	2.4
462.10648	1.2
493.22720	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04422	1.2
55.01879	1.5
57.03451	20.9
59.01385	100.0
61.98833	14.7
71.01385	31.2
71.44690	1.4
71.45144	1.3
73.02953	13.8
73.73798	1.2
81.93561	1.4
83.01396	5.5
85.02959	11.2
87.00896	2.0
89.02458	20.2
95.01417	2.9
99.00921	3.4
99.04519	19.1
101.02455	28.9
113.02470	15.6
114.05660	1.5
116.92896	8.7
119.03504	9.5
125.02460	7.4
125.03233	1.3
131.03500	1.9
134.02654	2.0
134.03757	25.5
137.02454	2.3
143.03471	3.9
149.04578	3.1
149.06093	7.4
159.03032	1.6
161.04565	14.9
178.02751	15.8
179.05620	5.3
193.05086	42.1
196.91534	1.3
207.13890	1.6
209.10001	1.3
209.11794	2.9
223.08173	2.6
223.22606	1.2
225.14853	1.7
227.12955	11.5
251.17024	1.3
268.06564	1.2
294.75201	1.5
300.04834	2.0
331.17545	2.7
332.07690	4.6
340.68161	1.3
349.18420	3.6
361.18570	1.9
383.75296	1.3
433.24457	20.1
434.24545	2.6
475.21799	1.5
493.11224	1.7
493.22812	36.5
494.23309	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	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03456	1.7
59.01386	14.8
61.98831	1.5
71.01389	7.4
72.99307	0.8
73.02950	4.6
82.16299	0.3
83.01389	2.7
85.02956	4.9
86.00109	0.5
87.00880	1.0
87.04494	0.3
89.02465	2.4
95.01404	0.8
99.00898	1.1
99.04518	0.6
99.08185	0.5
101.02456	9.1
111.00930	0.8
113.02475	2.8
125.02454	0.4
127.93019	0.4
143.10794	0.5
144.20010	0.4
159.03059	0.5
161.04576	0.9
183.13905	1.1
241.03975	0.4
275.18869	0.3
285.24478	1.4
294.33234	0.3
325.62872	0.4
331.24945	3.8
361.22519	0.5
447.22433	0.5
475.28970	2.1
493.30276	100.0
494.12881	1.0
494.30591	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	494.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
56.24342	0.3
57.03429	0.5
59.01385	6.8
60.01725	0.3
61.98844	1.7
62.17293	0.4
64.43727	0.3
70.51787	0.7
71.01388	5.5
73.02957	1.9
77.18671	0.4
83.01391	0.7
85.02967	2.5
86.03280	0.4
86.06638	0.5
87.00871	0.4
88.98753	0.3
89.02443	2.1
90.03519	1.5
92.02552	2.7
98.61335	0.3
99.00869	0.6
99.04539	0.4
101.02464	3.0
103.65952	0.4
113.02467	1.1
113.45475	0.4
115.85963	0.3
117.04589	4.0
118.03001	100.0
119.03382	2.3
121.02949	0.7
121.94293	0.3
123.04527	0.4
134.02509	6.4
134.03557	0.8
141.04579	1.9
142.04120	29.0
144.05692	3.6
161.02452	0.9
161.04601	0.7
168.05682	27.1
169.06050	0.7
172.03952	0.5
180.03040	2.4
181.03851	1.5
191.62941	0.4
193.04994	0.3
195.05386	1.9
198.06721	0.4
201.99820	0.3
212.04669	42.2
213.05054	1.8
226.06235	2.9
240.03014	0.4
241.03795	0.7
254.05734	0.6
255.03191	0.5
257.04736	0.4
284.02417	0.4
285.02829	0.9
299.04367	0.5
300.05115	6.1
316.04526	0.4
331.07083	0.6
332.04218	0.7
332.07809	6.4
425.24130	0.4
462.10812	0.6
486.10822	0.4
493.32288	8.1
494.12979	6.9
494.19513	0.6
494.32437	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	494.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
61.98835	3.2
69.06515	3.0
71.01393	4.2
73.02928	1.9
75.15029	0.4
85.02957	0.8
87.04494	1.4
89.02440	2.2
93.32366	0.4
95.01365	0.5
99.00849	0.6
101.02455	2.7
105.02303	0.5
108.02166	0.5
111.00845	0.5
113.02431	1.5
119.03532	0.6
121.01675	1.5
122.02504	3.7
123.00864	0.5
133.01718	1.1
134.02481	4.1
148.04028	1.4
149.01198	4.7
150.01978	14.1
161.04489	1.1
166.01428	0.8
180.03088	0.5
181.03821	1.9
182.04591	12.0
183.04747	0.5
186.03278	0.6
198.03180	1.4
203.76944	0.6
212.03537	2.9
213.04338	8.9
214.02690	1.4
214.04843	0.6
240.03021	1.7
241.03816	85.6
242.02151	2.1
242.04398	2.8
256.06085	1.9
278.43323	0.4
285.02814	22.1
285.06003	1.1
286.02960	0.6
300.05154	98.1
301.05524	4.8
302.68881	0.5
315.17950	0.5
332.07773	100.0
333.08170	3.3
363.49704	0.5
382.09259	0.7
447.22278	1.6
448.22763	1.0
462.10385	0.7
493.30142	0.5
494.12909	6.7
494.33267	0.6
495.26410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43737	0.5
59.01397	2.0
61.98829	4.0
69.03462	6.4
71.01418	1.4
73.02940	0.5
73.30916	0.4
79.01900	3.6
89.02473	0.7
97.02958	4.5
101.02462	1.5
107.01403	6.1
108.02187	0.7
109.02965	1.4
114.19727	0.6
122.02487	1.1
123.00948	0.6
125.02450	4.6
133.01694	5.1
134.02499	19.6
135.00912	11.4
135.01936	0.8
136.04060	5.0
148.00432	12.9
149.01184	1.4
150.02000	1.9
151.02771	1.0
152.03587	2.1
161.04594	0.9
165.00667	3.8
166.01506	1.4
180.03041	24.5
181.03825	7.4
182.04610	2.3
184.03993	0.6
185.04628	0.5
187.13547	0.5
191.09833	0.5
195.05377	15.5
196.06168	1.8
207.01772	1.3
212.03569	4.5
213.01987	2.1
213.04370	2.6
214.02747	1.6
214.15056	0.4
222.04152	1.6
228.03053	0.9
229.01547	0.8
240.03038	7.3
241.01544	1.5
241.03798	20.0
242.02225	1.2
242.04404	1.2
256.03860	0.5
257.03268	4.1
258.03946	0.8
273.06360	0.8
284.02069	11.8
285.02808	42.5
286.03516	10.2
299.04367	15.6
300.05148	69.1
301.05524	3.9
310.03598	0.5
314.06775	1.2
316.04633	8.0
317.05377	4.1
318.05954	0.8
331.06998	15.5
332.07776	100.0
333.08118	4.6
342.06070	0.7
462.10538	2.0
494.13019	32.7
495.13364	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	494.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
80.92635	0.5
91.01907	3.3
91.07640	0.5
105.02315	0.7
108.02182	0.8
109.02952	1.6
122.02486	6.3
123.03287	1.4
133.01712	1.3
134.02493	100.0
135.00896	1.7
135.02856	1.8
136.04100	2.6
148.00435	0.8
149.01196	1.8
149.47365	0.4
151.02753	5.3
152.03592	1.2
164.03487	0.8
165.00681	2.0
166.01482	7.5
180.03032	11.8
181.03815	32.9
182.04192	0.9
186.03203	0.6
195.05376	7.7
196.06152	5.7
212.03471	1.1
213.04404	0.7
214.02711	0.8
222.87843	0.5
240.03046	1.6
241.03839	7.9
242.02165	5.6
242.04276	0.8
257.04620	5.0
284.02081	1.2
285.02808	9.3
286.03552	1.4
299.04471	2.9
300.05148	84.4
301.05536	4.0
314.06671	1.0
316.04584	1.4
317.05435	5.0
331.06897	2.6
332.07776	83.5
333.08102	4.4
462.10461	1.0
475.28659	0.6
494.13083	83.5
495.13406	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	494.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.9
61.98833	0.5
66.75896	0.4
69.03458	5.3
76.00519	0.5
79.01891	3.5
81.03475	0.6
85.02955	0.6
95.01420	0.5
97.02962	3.5
98.22610	1.4
101.02481	0.8
107.01398	6.2
108.02193	2.2
108.04630	0.5
109.02988	1.8
121.01691	0.7
121.02968	0.9
122.02496	4.4
123.00911	0.9
123.03232	0.8
125.02442	4.4
133.01709	15.4
134.02492	19.3
135.00896	11.8
136.01228	0.7
136.04051	5.6
148.00426	8.6
149.01202	1.6
150.01974	2.3
151.02766	2.3
151.03981	0.7
152.03543	1.9
163.04039	0.8
165.00722	3.1
165.04323	0.5
166.01497	3.3
177.01932	1.0
180.03035	27.2
181.03827	12.1
182.04599	3.2
184.04021	1.3
186.03084	0.5
195.05370	18.2
196.06079	2.8
201.01930	0.8
207.01764	2.1
208.02596	0.5
212.03578	5.2
213.01961	4.0
213.04298	3.0
214.02721	1.7
222.04063	2.3
228.03081	0.8
229.01407	1.3
234.26671	0.5
240.03056	11.7
241.01489	2.3
241.03787	20.7
242.02217	2.4
242.04404	0.8
256.02786	0.5
256.03668	0.6
256.06174	0.5
257.03070	2.9
258.04102	1.5
258.79431	0.5
272.05640	0.5
273.06418	1.4
274.06918	0.7
283.98819	1.0
284.02023	20.0
285.02789	19.0
286.03482	2.6
288.70706	0.5
298.03546	0.8
298.07135	0.8
299.00873	1.1
299.04367	29.3
300.05136	45.5
301.05515	2.7
314.06625	1.7
316.04626	9.3
317.05344	6.4
318.06192	1.2
331.07004	31.5
332.07770	100.0
333.07993	3.8
365.21881	0.5
402.08417	0.5
462.10468	26.6
463.10938	1.2
494.13065	36.2
495.13474	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	494.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07915	0.2
51.14056	0.2
53.88329	0.3
57.03445	0.3
59.01366	0.7
59.78036	0.2
61.98826	0.3
65.99839	0.2
66.03507	0.2
69.91135	0.7
71.01392	0.6
96.16805	0.3
99.04510	0.3
113.06046	0.3
122.02525	1.6
133.01764	0.7
134.02412	0.7
150.01974	4.4
151.02681	0.3
166.01469	0.7
171.96686	0.3
180.03072	0.4
181.03772	1.0
182.04587	2.8
184.03981	0.5
185.04851	1.2
212.03537	3.8
213.04338	9.3
214.04745	0.3
224.03552	0.6
240.03032	8.5
241.03824	100.0
242.02187	0.6
242.04257	3.1
244.02542	0.3
255.05244	0.4
256.06262	1.0
284.02243	0.4
285.02814	23.1
286.03027	0.9
300.05161	89.8
301.05447	3.6
317.17227	0.3
332.07785	85.0
333.08121	3.4
346.05298	0.3
406.37534	0.3
493.30795	0.4
494.13077	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	494.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.2
59.94796	0.3
61.98841	0.7
66.16557	0.4
69.30681	1.9
71.01385	0.7
78.95905	0.4
95.01412	0.4
101.02483	0.7
118.83759	0.4
121.01814	0.4
122.02485	3.6
133.01749	0.6
134.02489	0.5
135.12695	0.3
150.01981	9.8
151.02705	0.7
166.01511	1.5
170.44464	0.4
180.03163	0.5
181.03809	2.5
182.04601	9.3
184.04057	1.4
185.04773	0.9
212.03528	3.6
213.04321	7.5
214.02629	0.4
214.04675	0.5
224.03485	0.5
240.03076	6.5
241.03818	95.8
242.02078	0.8
242.04179	2.9
255.05296	0.6
256.02423	0.7
256.06250	0.9
263.30576	0.4
271.04846	1.1
284.02036	1.0
285.02811	22.0
286.03226	1.2
299.04382	3.9
300.05154	100.0
301.05475	4.6
331.07129	0.6
331.21515	0.4
332.07779	57.4
333.08047	3.1
344.10043	1.8
462.10431	7.2
463.10739	0.5
493.26028	0.6
494.13083	38.8
495.13519	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	494.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88419	0.6
59.01375	2.0
60.01941	0.5
61.60632	0.5
61.98832	0.9
65.99865	0.8
69.34244	0.5
69.45229	2.9
71.01383	0.7
73.33002	0.5
85.02975	0.6
107.01390	0.7
108.02211	1.0
112.37262	0.5
123.03273	1.6
125.02390	0.7
133.01720	5.2
134.02496	100.0
135.00928	1.5
135.02809	1.9
149.01222	3.8
150.02022	0.9
158.03711	0.7
180.03020	4.7
185.04805	1.2
186.03215	1.0
212.03499	3.3
213.02148	0.8
213.04335	3.1
214.02774	2.0
224.03651	0.7
229.04958	0.7
240.03090	3.2
241.03804	27.1
242.02011	3.0
242.04417	0.8
256.06128	3.2
257.03299	0.8
259.04819	1.4
274.07245	4.3
285.02829	12.1
285.57413	0.6
300.05157	38.5
301.05472	1.9
306.77228	0.6
309.59372	0.7
316.04599	1.2
325.30222	0.6
332.07794	54.8
333.08185	3.0
462.10538	1.8
494.13272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08303	0.5
57.03447	1.6
59.01385	2.8
60.56687	0.6
60.92857	0.7
61.98829	2.7
69.03455	2.1
69.68221	1.9
69.68600	1.2
71.01385	1.1
73.02958	0.6
79.01907	1.8
89.02488	1.0
94.40838	0.6
97.02981	0.8
98.21942	1.3
99.04538	0.9
101.02453	1.2
107.01421	1.9
108.02158	0.7
114.05613	0.7
122.02498	1.9
122.76340	0.6
123.03304	1.2
125.02444	0.7
133.01709	7.8
134.02499	100.0
134.03683	5.8
135.00926	2.4
135.02843	1.8
135.33937	0.7
148.00417	1.1
149.01245	4.4
149.06100	1.9
150.02032	1.0
151.02740	0.9
153.02026	0.7
166.01494	1.2
178.02716	2.6
180.03070	8.1
181.03860	3.4
193.05066	7.2
195.05344	1.4
196.06166	1.0
207.01772	0.6
212.03511	1.6
213.02005	1.1
213.04263	1.3
214.02733	2.3
239.21878	0.7
240.03110	1.6
241.01462	1.3
241.03798	11.7
242.02217	9.4
242.04480	0.7
256.06223	2.2
257.03278	0.7
259.04883	1.3
274.07108	0.7
284.02100	1.1
285.02850	10.0
286.03690	1.1
292.62283	0.8
299.04379	2.0
300.05167	66.2
301.05505	2.4
316.04669	2.7
317.05396	1.8
318.06326	3.4
331.07022	1.9
332.07791	56.6
333.08163	2.2
364.24475	0.8
447.08200	0.9
462.10486	2.4
491.25067	0.6
494.13068	17.9
495.13837	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
58.03798	0.4
59.01385	7.0
59.83256	0.3
61.98833	4.6
71.01387	3.4
71.42580	0.4
73.02959	1.9
73.54140	0.3
74.57359	0.4
83.01429	0.5
85.02974	1.5
87.00883	0.7
88.98852	0.5
89.02448	1.9
93.03500	0.4
99.04530	2.8
100.04869	0.4
101.02457	2.3
102.02847	0.5
111.00880	0.6
113.02454	1.0
114.05582	1.9
116.92887	0.6
119.03513	0.8
121.02970	1.0
122.06160	0.7
123.04554	0.4
125.02459	1.1
133.02962	2.8
134.03757	60.5
135.04050	1.7
137.02469	6.4
139.04045	1.6
149.06099	15.8
156.06650	0.7
160.04062	1.1
161.04572	0.8
163.04028	0.4
178.02733	35.0
179.03098	1.1
179.05676	0.6
180.26146	0.4
193.05077	100.0
194.05403	3.8
197.34297	0.3
221.11438	0.4
241.03754	0.4
270.13327	0.6
281.70508	0.3
297.52182	0.4
317.85284	0.4
331.17575	0.5
350.18881	0.5
434.24731	0.4
494.17239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65532	1.0
59.01396	1.9
69.33992	4.7
81.03457	2.4
83.05029	6.1
84.73833	1.2
107.72992	1.0
134.02502	14.0
138.71834	1.2
142.10846	1.2
149.01190	1.9
193.05095	1.2
224.17714	1.5
225.16090	4.2
242.02301	1.3
258.70038	1.0
285.02783	1.8
300.05118	6.6
332.07874	9.1
333.22931	1.6
351.24347	1.2
367.27011	1.2
433.31885	2.5
451.32904	100.0
452.33157	8.6
494.12921	7.9
494.33047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.9294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
69.43163	0.5
71.67300	0.5
72.99294	0.7
73.05653	0.5
74.55096	0.5
78.95913	2.8
87.71724	0.5
96.29673	0.6
111.02016	0.8
126.21519	0.5
134.95125	0.8
134.96101	5.9
136.94022	22.4
137.94106	1.6
150.98029	0.7
151.92735	1.1
152.91779	35.9
152.99594	0.6
158.88539	0.5
167.90479	2.5
170.92773	0.6
178.95078	39.5
179.95192	2.6
192.95851	3.6
194.92828	70.0
194.95413	5.8
195.93118	0.8
210.90669	0.7
212.93907	5.2
217.00343	0.9
226.88583	9.4
250.94203	0.9
252.91899	2.2
262.03778	0.6
268.89655	14.3
292.94974	4.8
294.92972	8.8
308.88745	1.2
310.90710	36.4
315.04724	0.6
316.20410	0.5
328.41125	0.6
336.93994	55.2
337.94058	3.8
350.89584	3.1
350.94446	1.3
352.91708	100.0
353.92032	2.3
368.90640	1.5
392.90683	2.3
410.91586	1.8
434.91757	2.4
452.93066	3.2
494.93079	3.3
495.11298	2.2
512.83856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
59.84652	2.9
61.98797	4.2
72.76114	2.8
78.95901	4.4
85.02956	14.6
108.45138	3.0
111.00890	28.1
121.01704	5.6
122.02487	17.3
123.03281	86.6
138.05650	5.5
149.01199	22.9
150.02013	57.9
152.44237	4.1
152.99567	4.2
164.03561	14.9
167.02261	7.1
168.04611	5.1
182.04611	100.0
183.03287	42.5
184.07735	7.4
185.08376	9.2
186.09190	4.2
193.00075	4.3
194.06059	5.1
197.04839	9.5
208.02498	74.4
209.07239	8.1
210.07939	5.5
211.08769	9.8
212.05380	4.1
212.07205	37.8
224.07277	3.4
251.13208	3.3
277.06183	4.3
291.19608	5.0
297.82266	4.2
303.07825	15.4
309.20770	4.7
311.13712	4.1
317.09152	6.6
318.10022	17.5
333.12521	6.4
377.02716	4.0
377.11279	9.3
409.14096	6.0
419.16040	4.8
451.18942	24.2
463.15060	56.0
464.15396	6.6
495.10788	5.5
495.17847	69.8
495.25143	4.5
496.17996	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	495.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24934	1.9
57.03444	5.0
59.01382	44.5
60.99315	11.7
61.98828	3.0
71.01384	27.0
73.02960	7.6
83.01347	2.6
85.02960	5.3
87.00883	6.3
88.00385	3.8
88.98817	67.7
89.02454	100.0
91.46402	2.2
95.55408	1.9
99.00883	5.7
101.02463	16.5
101.43880	2.1
113.02425	8.1
116.92847	9.7
125.02452	3.0
131.03491	4.8
149.04575	11.1
161.04559	5.6
177.01884	5.7
191.05695	3.9
201.11324	7.4
303.14572	3.4
405.73163	2.4
407.21796	2.3
435.18555	5.4
495.19897	6.1
495.25220	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	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.8
59.01385	100.0
61.98838	25.0
69.72447	0.9
69.87898	3.1
71.01384	10.2
73.02959	4.3
78.95908	2.0
83.01404	2.1
85.02967	4.8
87.00919	1.5
87.04532	6.6
89.02457	4.4
95.01447	1.1
99.00887	1.4
101.02425	9.6
103.04021	58.9
105.86839	1.2
113.02474	4.1
119.03527	1.8
131.03488	0.9
143.03485	1.2
152.99561	2.1
160.04077	19.2
161.04585	3.3
177.01932	2.3
191.05602	1.1
285.03693	1.1
290.08234	2.7
303.18045	2.2
363.23804	4.3
435.22415	3.3
495.18759	2.1
495.26923	10.3
496.12476	3.1
496.26682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34914	1.4
54.55415	1.2
57.03453	70.5
59.01384	100.0
61.98837	9.5
67.92552	1.2
69.47055	1.4
69.58514	1.3
71.01384	38.5
72.01808	1.3
72.99316	1.9
73.02953	16.4
81.03469	1.3
83.01392	5.8
85.02951	11.2
87.00867	3.1
89.02451	33.2
95.01405	2.1
97.02958	1.2
98.21878	2.8
99.00880	1.8
99.04521	46.1
101.02449	45.9
113.02454	19.3
119.03514	16.6
123.04520	1.9
125.02456	29.5
129.04784	1.1
131.03513	2.4
134.02501	8.9
135.02776	4.5
135.04576	1.5
140.78511	1.2
143.03496	5.3
143.10788	1.2
149.04524	1.6
152.01186	3.2
159.02917	1.8
161.04567	11.8
166.01508	1.4
167.03503	7.0
179.05600	6.8
181.03864	2.3
189.14970	5.5
208.79742	1.4
213.14960	1.4
300.05017	4.6
301.05408	11.5
332.07724	5.1
333.08026	10.4
333.19171	13.4
351.20261	78.2
352.20856	1.9
393.21350	20.8
433.24341	2.6
495.13397	17.1
495.24567	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	495.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	88.1
58.03790	1.6
59.01386	100.0
60.01721	1.2
61.98839	7.3
65.27112	1.1
69.03470	1.1
71.01389	31.7
71.42230	1.4
72.99319	1.3
73.02957	13.9
75.00856	1.4
81.03454	1.6
83.01398	6.7
85.02964	13.4
87.00868	3.6
88.98851	1.7
89.02454	14.0
94.02991	1.7
95.01398	3.3
96.04575	1.0
97.02954	1.4
99.00876	4.3
99.04532	71.0
100.04867	1.4
101.02457	43.3
111.00898	1.4
113.02458	16.1
119.03497	3.9
119.05042	2.2
123.04520	1.4
124.04061	2.7
125.02454	29.7
125.06059	1.9
131.03500	1.5
134.03735	1.3
143.03471	2.3
143.10809	2.6
149.04482	1.5
150.05606	1.1
152.03465	1.0
159.03026	1.8
161.04578	9.7
163.04059	2.7
166.05072	1.5
169.75784	1.1
179.05620	1.7
184.06142	17.2
189.15009	5.9
226.79842	1.3
280.05673	1.2
295.93628	1.2
333.19232	21.7
334.19394	1.3
351.20270	49.7
352.20615	2.1
363.20721	1.1
393.21179	5.7
452.22415	1.3
452.33069	2.1
495.24759	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	495.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19746	0.9
58.14987	0.8
59.01385	100.0
61.98831	5.1
69.03442	1.0
71.01388	18.1
73.02954	21.4
73.03365	1.1
76.42229	0.8
78.95910	10.9
83.01410	5.1
85.02975	6.2
89.02446	8.4
96.96969	1.7
99.00877	1.6
101.02447	20.1
110.72361	0.9
113.02477	8.4
114.67296	0.8
119.03524	3.3
121.06562	1.4
124.24187	0.8
125.02409	1.3
131.03517	1.4
143.03487	2.4
149.04549	1.0
152.99596	19.2
155.03465	1.1
161.04570	3.8
179.05402	0.8
213.04041	1.1
241.03824	6.5
242.04160	6.9
254.62642	0.9
261.18515	2.6
285.02780	1.0
286.03180	2.3
291.01938	0.9
300.05154	3.0
301.05511	8.0
332.07776	1.5
333.08081	3.9
333.16650	1.1
405.22867	4.5
423.23975	4.1
435.24002	4.4
453.25015	1.7
495.13364	3.9
495.23911	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	495.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19746	0.9
58.14987	0.8
59.01385	100.0
61.98831	5.1
69.03442	1.0
71.01388	18.1
73.02954	21.4
73.03365	1.1
76.42229	0.8
78.95910	10.9
83.01410	5.1
85.02975	6.2
89.02446	8.4
96.96969	1.7
99.00877	1.6
101.02447	20.1
110.72361	0.9
113.02477	8.4
114.67296	0.8
119.03524	3.3
121.06562	1.4
124.24187	0.8
125.02409	1.3
131.03517	1.4
143.03487	2.4
149.04549	1.0
152.99596	19.2
155.03465	1.1
161.04570	3.8
179.05402	0.8
213.04041	1.1
241.03824	6.5
242.04160	6.9
254.62642	0.9
261.18515	2.6
285.02780	1.0
286.03180	2.3
291.01938	0.9
300.05154	3.0
301.05511	8.0
332.07776	1.5
333.08081	3.9
333.16650	1.1
405.22867	4.5
423.23975	4.1
435.24002	4.4
453.25015	1.7
495.13364	3.9
495.23911	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46803	0.3
57.03454	0.6
59.01387	3.8
61.98837	100.0
62.60117	0.3
71.01385	2.0
73.02957	0.8
80.91726	0.3
83.01395	0.7
85.02975	1.1
89.02461	1.4
99.04541	0.6
101.02460	1.7
111.00894	0.5
113.02509	1.0
119.03590	0.4
119.78870	0.4
121.02995	1.6
134.03767	0.7
135.04541	0.5
136.04300	0.4
149.06091	0.4
160.01700	0.3
161.04521	0.4
166.05144	0.6
178.02753	0.4
179.03203	0.4
193.05058	1.6
194.05432	0.7
202.77538	0.3
255.02968	0.3
268.50275	0.3
284.03223	0.4
335.20746	0.6
352.20502	0.4
413.12042	0.4
467.33505	0.4
495.33652	0.3
496.24136	0.5
497.26633	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24056	3.3
59.01375	13.4
61.98820	3.5
69.09693	4.1
69.84740	4.5
69.85090	9.8
71.01398	4.9
78.93137	3.3
78.95905	12.2
84.00905	10.0
85.02982	3.7
107.17303	3.4
111.00882	8.7
113.02434	7.7
119.03423	3.9
152.99586	26.2
158.68361	4.0
165.12880	13.8
197.12090	4.4
228.12801	3.4
247.20778	6.5
259.83481	3.9
291.19684	100.0
292.19882	5.3
305.21100	3.9
461.19443	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	496.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98825	3.6
70.48658	1.6
71.01390	6.1
73.02962	2.5
74.14917	0.9
76.52539	0.9
85.02948	2.0
89.02460	5.3
99.00909	1.1
101.02444	4.8
113.02399	2.3
117.10078	1.0
122.45579	1.0
125.02457	1.6
130.33659	0.9
134.02502	3.4
134.77338	1.1
135.02817	1.4
143.03549	1.1
149.04524	1.4
160.04202	1.1
161.04636	2.0
180.03117	1.4
180.06746	1.2
191.41014	1.0
288.21301	1.0
302.05890	1.3
332.18085	1.2
413.16501	1.0
425.10291	1.1
426.43637	1.2
437.20438	8.2
497.21973	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	497.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	3.2
59.01383	100.0
61.98827	30.0
64.55876	3.7
69.13453	21.7
71.01380	33.7
73.02936	11.1
83.01379	4.5
85.02951	13.4
87.00842	4.2
89.02450	32.0
97.03001	3.6
99.00863	8.5
99.04461	3.2
101.02451	20.9
106.74607	3.0
111.00932	5.0
113.02445	11.7
119.03510	3.7
121.02946	4.9
121.30089	3.2
125.02440	10.8
131.03522	6.0
132.02109	3.8
146.26558	3.4
149.04558	22.3
150.01950	5.0
160.01688	3.3
161.04570	3.8
167.10767	9.2
175.03862	4.2
191.05469	4.0
233.06622	7.6
236.43558	3.5
241.03737	15.7
242.04172	24.0
243.04305	15.8
244.04608	10.9
290.99899	3.2
293.08783	44.6
300.05112	7.7
301.05377	19.9
302.05582	10.8
303.05951	19.0
307.17484	3.5
317.21262	7.1
329.06427	32.2
332.07605	7.0
333.08072	13.4
334.08151	15.0
335.08569	26.3
335.22119	10.8
342.44183	3.3
465.05615	4.2
480.28561	3.6
497.19241	11.4
497.27292	66.7
498.27509	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23806	0.9
54.57442	0.9
55.01873	1.9
56.99818	0.9
57.03460	5.2
58.00582	1.4
58.30866	0.9
59.01385	100.0
61.98550	1.3
61.98837	16.7
64.91769	1.0
69.03441	4.4
71.01389	80.3
71.05006	1.2
72.99307	3.0
73.02952	32.8
75.00854	3.2
78.55787	0.8
80.15587	0.9
81.03448	2.5
83.01393	6.1
85.02467	1.4
85.02959	20.8
85.06575	2.0
87.00885	23.7
87.04514	4.3
89.02454	97.4
95.01400	3.3
97.02963	9.9
97.06586	3.9
98.39614	1.0
99.00890	40.0
99.04535	3.2
101.02454	54.9
108.02151	1.3
109.02943	1.1
111.00883	3.8
113.02454	15.9
114.05591	2.7
115.04033	6.6
115.07606	1.8
119.03504	7.3
122.02470	1.2
123.04528	1.4
125.02461	15.8
129.05591	3.2
129.09218	4.8
131.03528	15.2
135.04541	2.4
138.01965	1.4
139.07635	2.1
141.01953	3.1
141.09210	1.6
142.24985	0.9
143.03506	4.9
145.05081	1.1
146.38968	1.0
149.04570	41.3
152.07213	1.1
156.06647	3.3
159.02994	1.9
159.09070	1.7
159.10291	22.5
160.10728	1.0
161.04556	10.6
170.08192	2.1
179.05667	1.2
188.60558	1.0
191.05641	16.2
203.12866	1.9
215.96817	1.1
216.02942	1.0
221.06677	1.6
228.02943	1.1
233.06715	14.3
233.08965	2.0
251.07706	3.2
275.07825	1.2
275.15076	5.4
286.90512	1.0
291.07172	1.8
293.08801	10.0
365.18173	30.4
366.18488	1.3
367.12527	1.1
437.16342	2.4
479.10425	1.2
497.11844	9.2
497.22427	87.9
498.11740	1.2
498.22702	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2763
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
50.28372	0.2
55.01878	0.3
57.03434	0.3
59.01385	14.4
61.98850	1.3
62.03551	0.2
65.39456	0.2
71.01384	3.7
71.45258	0.3
73.02959	1.4
78.68146	0.3
78.95885	0.3
83.01389	0.7
85.02954	1.4
87.00877	0.5
89.02441	2.1
99.00891	0.6
101.02454	2.8
107.97728	0.3
111.00890	0.9
112.95086	0.3
113.02464	1.3
119.03510	1.1
121.03042	0.4
125.02477	0.3
125.09732	0.4
142.33844	0.2
149.04625	0.3
161.04543	0.8
169.08685	0.3
175.04041	0.4
232.65030	0.3
242.04260	0.6
292.65897	0.3
301.05557	0.5
303.05997	0.5
307.17529	1.5
317.21243	10.4
318.21609	0.7
333.08249	0.3
335.08533	0.4
335.22440	0.9
349.18579	0.6
415.17886	0.4
437.23990	1.0
497.27597	100.0
498.27881	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	498.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03149	81.4
76.38356	80.2
98.65630	100.0
123.32497	97.3
127.51032	92.1
177.71411	83.6
435.65067	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26709	1.2
59.01387	100.0
60.30531	1.1
61.98835	3.4
68.67582	1.2
69.26001	1.2
69.59674	3.8
69.60069	2.3
71.01386	2.5
81.61120	1.1
82.95410	3.5
83.05038	26.3
87.00916	1.2
89.02412	1.2
107.05028	1.7
121.15450	1.2
138.01952	3.8
160.04080	7.3
193.96692	1.3
207.18324	1.2
243.11577	1.5
249.84386	1.2
270.10132	1.5
271.10913	3.2
273.80585	1.3
277.11990	4.0
283.10855	1.7
301.11920	3.1
301.15198	1.2
336.18271	8.1
344.18750	4.1
362.19785	2.0
368.18600	1.3
372.21780	4.2
374.23526	14.0
388.21210	3.7
400.21198	11.8
402.22897	68.7
403.23181	4.3
418.22369	1.6
420.23984	59.0
421.24396	6.5
438.24997	68.2
439.25406	6.0
460.59253	1.2
463.10254	1.5
463.17130	2.6
481.18500	2.8
492.43332	1.5
498.12320	2.8
499.19336	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	498.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01728	0.9
60.45082	0.9
61.98835	8.7
68.99812	0.9
69.16201	0.8
69.93365	2.5
71.01389	9.7
73.02957	3.2
75.39058	0.9
75.51933	0.9
82.95423	1.8
83.05058	3.4
85.02962	4.6
87.00867	2.0
89.02452	8.3
93.03501	1.4
96.96010	0.9
98.22062	1.2
99.00874	1.7
100.59554	0.9
101.02451	5.7
108.02193	4.0
108.04547	1.3
111.00889	1.5
113.02466	3.5
119.03515	1.5
131.03535	1.1
134.03732	1.7
135.04549	3.7
136.07628	1.1
138.01987	57.9
138.05582	1.9
143.03519	1.1
143.05023	2.1
145.06584	1.6
149.04607	3.1
152.03502	1.1
161.02486	1.5
161.04602	3.4
164.56778	0.9
176.07211	1.1
180.03043	2.6
191.05693	1.2
195.05402	3.1
200.33168	1.1
223.08231	1.2
240.04445	0.9
293.67612	1.0
301.12061	1.8
304.15509	1.4
336.18005	1.8
337.18747	2.9
344.18573	1.1
370.20032	2.3
374.23438	2.1
388.21207	2.8
400.21082	1.8
402.22861	12.8
420.23950	48.8
421.24243	4.2
438.24991	45.7
439.25287	2.4
457.54407	1.3
463.17102	1.7
481.18167	1.5
498.12286	3.8
498.22617	2.3
499.24359	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	498.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34946	0.5
51.18766	0.4
57.30692	0.5
59.01385	100.0
59.73215	0.6
60.01711	0.8
61.77304	0.4
61.98840	1.5
62.99914	0.4
70.68788	0.9
71.01407	1.0
80.93453	0.5
83.05064	0.5
87.66650	0.5
89.02437	0.5
89.39806	0.5
93.03476	0.5
99.92074	0.5
110.52373	0.5
111.00905	1.0
118.96684	1.3
121.02966	0.5
125.70069	0.6
132.98196	1.2
149.06107	0.9
156.98232	0.7
160.97762	0.8
178.33209	0.6
191.05666	0.5
193.05188	0.5
214.23021	0.5
217.00362	1.5
259.01404	0.7
262.46936	0.4
341.10974	0.5
388.21274	0.7
400.21304	0.6
402.23047	1.0
406.22318	1.1
413.45218	0.5
420.23822	2.3
438.24991	4.2
439.07275	0.9
499.14841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	1.5
73.03680	1.6
73.04073	18.2
74.02483	40.6
74.89409	0.8
77.76242	0.8
82.06639	1.4
86.13254	0.8
86.23942	0.8
87.05640	3.6
91.09192	0.9
98.22671	2.6
102.09096	0.8
108.08221	1.4
112.02790	1.1
118.05087	4.8
126.09241	3.1
130.08737	1.6
139.08788	1.7
141.10336	3.3
143.11900	24.3
143.19199	0.9
152.07202	7.3
153.10321	1.8
165.10310	1.3
169.09851	6.0
169.13437	4.1
187.10844	7.3
200.14067	39.7
201.14319	1.3
226.15732	1.9
226.21770	41.9
227.22168	1.2
244.13058	1.1
266.21252	2.2
270.20740	2.2
283.23920	19.4
379.29675	1.9
397.31009	5.7
410.33905	2.9
436.35037	1.6
454.32892	100.0
455.33249	6.9
498.35553	40.6
498.42926	1.1
499.35822	2.9
518.00238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00008	0.9
57.03439	1.2
59.01382	21.4
60.99297	3.4
61.98831	5.7
66.90401	0.7
66.97404	0.7
67.01899	11.4
69.03445	3.3
69.18941	1.9
69.19344	3.5
71.01389	14.9
73.02946	3.7
81.03457	2.3
83.05033	1.9
85.02951	6.9
87.00884	15.5
89.02451	17.3
93.03468	72.6
94.03823	1.1
99.00895	4.5
101.02444	6.8
111.04527	9.1
113.02473	3.5
119.03578	1.1
119.05038	30.2
120.05394	0.9
125.02438	1.6
127.04063	2.0
129.01912	1.2
131.03506	3.6
143.03552	1.2
145.02957	1.6
149.04572	11.7
155.03484	2.9
161.04506	1.5
163.04019	20.3
167.00426	0.8
173.04558	18.8
173.06027	1.4
191.05626	76.5
192.05878	1.3
233.06749	1.0
235.11961	1.3
259.07214	1.3
337.09320	14.0
367.15979	1.6
367.19962	1.2
379.10303	2.9
499.14590	100.0
499.22647	5.7
500.15033	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	499.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.0
57.30262	2.8
59.01389	88.9
60.01736	5.3
61.98825	6.6
69.31489	3.1
69.52402	6.8
69.52789	6.4
71.01379	23.5
73.13287	2.6
85.02958	10.9
86.02498	5.2
87.00880	19.5
88.07377	3.3
89.02446	16.8
93.03475	24.6
96.96004	5.0
97.70928	2.9
99.00842	3.0
101.02443	11.5
106.06632	8.1
111.04565	4.5
113.02469	10.2
118.96638	7.9
119.03513	5.1
119.05032	24.1
121.02986	3.2
122.06129	9.2
124.04068	6.3
132.98213	3.2
134.06131	17.3
135.06949	6.4
136.07687	31.7
146.06187	4.5
149.04767	4.7
149.06068	5.2
154.05107	4.2
158.19960	2.5
160.04094	4.9
160.07848	2.8
160.97708	5.8
162.05641	10.7
163.04074	23.8
163.06396	33.9
164.07191	99.6
172.06183	21.5
173.04616	15.7
173.07143	5.4
174.05649	8.0
178.08771	3.3
188.07213	16.2
189.06708	4.9
190.05119	7.1
191.05707	30.7
191.08279	9.4
205.07413	10.4
205.09908	5.2
206.08191	23.2
210.99222	4.6
215.08258	27.2
216.06642	13.5
217.00316	7.6
233.06946	22.7
233.09319	30.7
234.07733	64.5
237.03961	3.6
240.09035	4.4
243.11414	8.3
252.08908	4.8
253.09857	9.2
259.01486	3.5
259.10889	11.6
270.10138	5.8
271.10977	13.8
277.11905	8.3
283.10886	19.4
300.11157	15.3
301.11957	35.7
326.12494	20.9
337.09436	4.1
395.14746	8.3
396.12997	100.0
397.13361	6.1
433.16293	19.7
439.07248	5.7
445.16107	5.5
456.18857	4.9
463.17313	69.9
464.17441	5.8
481.11887	4.5
481.18353	58.2
482.19165	4.2
499.13690	26.1
499.20435	5.5
499.30103	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	499.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91354	1.5
59.01085	2.3
59.01384	47.0
60.01726	2.5
60.36574	1.5
61.98833	6.4
65.72529	1.6
67.01902	1.9
69.71417	2.4
71.01383	14.0
72.46243	1.4
82.95401	3.0
83.01392	5.1
83.05031	6.5
85.02972	4.1
86.02486	3.8
87.00879	10.5
88.98811	6.3
89.02459	7.9
93.03479	13.9
95.16487	1.8
95.31342	1.8
96.96025	3.4
99.00884	7.7
101.02444	7.1
109.02957	10.8
111.04523	3.4
113.02462	5.3
115.00399	3.5
115.03855	1.4
119.03517	1.9
119.05020	16.5
121.02960	3.2
121.06601	4.6
122.06132	12.8
124.04137	1.7
130.80003	1.8
131.03659	1.8
133.02907	1.6
134.06136	4.5
135.04546	3.3
135.06993	1.8
136.04024	2.7
136.07698	7.4
137.02440	2.7
145.02930	3.6
147.04501	4.3
147.05627	2.7
148.05325	6.3
149.04926	4.2
149.06087	100.0
150.06474	2.0
152.01230	4.3
153.01971	3.1
155.03532	2.6
160.03976	2.2
160.07684	1.7
161.02464	5.9
161.04607	3.4
161.06134	2.1
162.05644	3.0
163.04010	19.0
164.07166	13.8
165.05559	6.1
173.04565	54.8
173.06030	3.5
174.03227	1.7
174.09198	2.5
175.02620	3.3
175.03976	17.1
177.01967	10.6
177.10387	8.6
177.89702	1.9
187.08815	2.2
189.06789	3.2
192.04317	2.6
192.06688	1.9
193.05087	15.6
201.10335	12.0
202.08841	4.0
205.05043	2.6
215.03584	1.7
219.03023	35.0
219.11299	11.0
220.09801	2.6
225.10387	2.6
227.08290	5.7
229.09871	14.8
231.06535	1.8
233.04572	9.5
237.04063	48.7
238.04410	2.2
239.08235	2.3
240.09050	1.8
241.09842	6.4
242.10667	5.5
243.11389	11.3
245.09326	4.4
247.08643	2.3
247.10748	8.5
252.09114	4.7
253.09850	10.0
255.07719	1.8
255.11380	3.6
257.09329	4.4
259.10822	12.3
261.08658	1.8
270.10178	7.5
271.10895	37.1
272.11453	3.2
273.12354	2.5
275.05731	3.5
277.00674	1.8
277.03479	8.8
277.11951	37.2
277.14993	2.3
283.10898	15.5
293.06378	3.3
300.11087	8.8
301.11938	28.6
318.12274	1.9
319.04620	8.9
319.12994	4.7
321.71918	1.7
325.09491	3.0
337.05652	46.1
375.24149	2.2
381.08478	10.2
381.16794	2.8
399.09332	9.9
399.18024	2.3
401.21832	2.6
402.22964	3.7
403.23300	9.8
405.14941	1.9
420.23999	3.3
421.24286	13.7
433.16336	18.2
439.09177	9.0
439.25302	15.1
445.16541	2.4
451.17230	2.6
463.17233	36.9
464.17426	3.4
481.10187	5.4
481.18234	37.4
482.19077	2.5
499.12747	5.6
499.19531	53.2
500.20081	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	499.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	67.4
61.98829	7.2
63.07278	2.8
69.84792	2.9
69.91819	6.1
71.01388	23.5
82.95411	4.4
83.01393	3.0
83.05035	6.3
85.02946	5.7
86.02477	3.6
87.00898	21.6
89.02481	14.5
93.03465	3.4
96.95982	3.6
97.92248	2.5
99.00859	5.2
101.02462	13.8
106.06640	4.2
108.04531	3.4
113.02451	9.6
113.69989	3.6
115.00386	2.8
118.53674	2.7
119.03498	7.5
122.06154	19.1
124.04060	3.2
127.20611	2.9
134.06125	16.4
135.06850	6.1
136.07719	22.1
138.01973	7.6
147.05672	8.6
148.07695	3.0
149.04787	9.4
158.06096	3.2
160.04117	4.3
160.07646	3.3
161.04572	3.9
162.05554	4.4
163.06436	2.9
164.04845	2.9
164.07175	39.5
165.07507	2.5
172.06311	3.7
174.09262	5.8
177.10326	17.9
184.07648	3.3
186.07961	3.3
187.08745	5.2
189.06744	6.5
201.10349	32.0
202.08754	10.6
211.08669	6.0
213.10327	4.0
215.11932	4.0
218.10582	3.6
219.11382	35.2
220.09814	15.6
225.10339	8.4
227.08267	10.9
228.09003	7.4
229.09842	41.0
239.08173	3.2
240.09015	10.6
241.09785	10.4
242.06992	3.6
242.10660	15.8
243.11398	25.6
245.09364	12.0
247.10855	16.9
252.09032	5.3
253.09839	22.9
255.11342	9.3
257.09421	6.2
259.10852	20.2
265.09818	3.4
270.10104	23.5
271.10873	78.2
272.11371	8.0
273.08871	4.6
273.12424	6.7
277.11960	75.4
283.10956	39.2
289.11938	4.5
300.11124	17.0
301.11954	73.0
302.12265	6.4
318.12350	3.4
319.12961	13.7
353.73474	2.9
381.16830	10.7
382.15207	10.0
399.17642	3.9
402.22827	3.6
403.23151	15.2
409.60437	2.6
420.23706	6.5
421.24332	13.0
433.16159	47.0
438.24838	3.6
439.19928	2.8
439.25378	18.2
445.16049	8.8
451.17261	8.3
463.17288	94.7
463.23645	6.0
464.17786	6.5
481.18365	81.7
482.18451	7.4
499.12234	5.5
499.19394	100.0
500.19708	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	499.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37455	3.4
59.01384	64.9
61.98827	33.0
64.11772	3.5
69.25059	9.5
69.25456	10.8
71.01385	40.8
73.02950	10.0
74.67915	4.1
76.27632	3.9
89.02448	66.3
97.02991	6.4
99.00893	12.6
101.02461	20.4
113.02415	6.5
115.88010	3.4
118.77719	3.8
125.02470	23.1
125.66389	3.9
131.03537	10.2
149.04555	56.4
156.67282	3.7
169.12334	25.0
191.05650	10.5
208.69647	3.6
233.06685	12.8
255.02988	3.8
283.02652	7.5
293.08792	100.0
329.06403	56.2
351.61224	3.9
499.19482	30.4
499.28415	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	499.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50234	3.0
58.54747	3.1
59.01389	31.9
60.14304	3.2
60.92241	3.2
61.98813	9.2
69.26048	16.9
71.01385	32.6
73.02949	15.2
85.02942	15.2
85.44762	3.1
89.02447	26.7
89.58125	3.7
93.03487	3.6
94.19014	3.3
94.93655	3.2
97.02975	3.8
97.33322	3.4
98.22631	5.7
99.00887	7.8
101.02449	27.4
111.00883	13.3
113.02451	16.4
121.81966	3.9
125.02459	5.9
131.03525	4.1
134.25081	3.2
149.04546	13.6
159.03059	4.4
161.04573	18.6
161.50998	3.3
191.05679	9.3
222.32216	4.0
233.06496	4.6
293.08899	4.1
307.17551	15.7
439.21881	100.0
440.22137	9.6
463.21783	22.1
464.21649	4.1
499.19391	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	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26472	0.1
50.26746	0.1
54.20551	0.2
55.01877	0.3
57.03453	0.2
59.01385	20.9
60.16713	0.1
61.98843	0.3
69.74841	0.4
71.01385	4.9
73.02953	1.0
80.02665	0.2
81.03478	0.2
83.01395	0.5
85.02940	1.1
87.00872	0.7
89.02452	4.8
91.04002	0.2
95.01397	0.3
95.05042	0.5
97.02975	0.2
97.06588	1.0
99.00871	0.3
101.02452	5.4
101.03108	0.3
106.04261	0.2
107.05056	0.6
109.06646	0.2
110.73892	0.1
113.02455	2.4
113.03171	0.3
113.06087	0.2
119.03523	1.3
119.05022	0.2
120.05798	0.3
125.02478	0.2
131.03511	0.3
132.05865	0.2
135.08173	0.5
143.03506	0.5
147.08188	0.8
148.08926	1.8
148.09834	0.1
149.09721	0.5
151.11316	0.9
157.30786	0.2
161.04547	2.3
161.09741	0.3
163.11295	3.3
165.12860	19.7
166.13226	0.6
175.11450	0.2
177.42761	0.1
179.05624	1.0
187.07687	0.2
189.12869	1.8
191.14433	7.4
192.14828	0.2
198.10593	0.3
201.16496	0.2
203.14621	0.2
214.63579	0.2
217.16016	0.5
219.17552	6.7
220.17838	0.2
221.82811	0.1
225.05498	0.2
227.14456	2.4
245.15480	14.3
246.15852	0.7
253.09308	24.0
254.09531	0.7
263.16537	100.0
264.16855	5.3
357.70819	0.2
495.19983	0.2
508.42603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89289	76.5
71.40361	100.0
75.87625	73.8
79.46884	69.3
110.70183	76.2
199.39572	80.8
211.79605	83.9
348.53659	82.4
363.08881	76.1
381.04321	78.7
384.58597	88.8
514.19659	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.9
61.98832	18.2
70.11486	8.6
71.01398	21.2
75.00888	7.4
85.02958	15.5
87.00886	27.0
89.02483	21.3
93.03475	6.7
98.74783	4.5
99.00873	5.5
101.02419	9.3
111.00975	5.2
111.20914	4.2
113.02498	10.0
115.00393	6.3
116.19512	3.9
117.01933	30.0
119.05064	4.5
128.03528	8.6
130.08702	3.9
149.02473	18.2
150.02025	9.2
164.04807	22.2
164.07158	7.3
164.67593	4.7
172.48795	4.2
173.04588	8.8
178.01471	6.0
179.07153	7.8
191.05667	27.0
193.01413	14.5
208.03781	32.1
220.09772	10.9
223.06113	100.0
280.40530	4.9
288.05063	6.8
327.08810	13.2
338.08774	9.8
338.12408	5.5
345.46497	4.4
347.63913	4.2
382.14893	5.3
385.11575	20.6
500.20410	5.6
501.14349	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	501.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57784	0.7
59.01384	75.2
62.84038	0.7
69.65153	2.3
69.65488	0.7
70.76608	0.6
71.01377	1.6
81.86553	0.6
85.02983	1.7
87.00854	0.6
111.05331	0.6
113.02441	2.4
119.85365	0.7
130.10870	0.6
132.98222	0.9
141.37444	0.7
156.30508	0.7
157.03569	2.9
174.99261	22.0
201.02570	29.7
202.02710	1.4
217.00311	100.0
218.00700	1.7
343.03528	2.8
359.01492	61.0
360.01538	3.7
382.99945	0.8
501.14767	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	501.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
61.50375	0.2
63.02406	0.4
65.00334	0.5
66.80392	0.2
69.67632	0.5
69.67996	0.5
83.64323	0.2
86.68999	0.2
93.03473	0.4
98.22591	0.3
107.01398	1.1
109.72470	0.2
117.03473	0.3
132.02156	1.2
135.00864	0.9
149.50890	0.2
151.00386	1.1
163.00371	0.3
164.01250	0.3
167.05098	0.3
169.06787	0.3
182.03772	0.3
183.04518	1.7
185.02519	0.4
185.06117	0.5
187.03976	0.4
190.99899	0.3
196.05363	0.3
199.04013	0.5
200.04874	0.3
211.04034	2.0
213.02026	0.3
213.05511	0.2
227.03525	39.6
228.03981	2.1
229.05113	1.0
239.03511	0.7
240.04158	0.3
241.04994	0.3
255.03009	67.1
256.03568	4.9
257.04562	0.5
263.16629	0.3
269.04572	0.4
283.02512	7.2
284.03287	100.0
285.03983	20.3
286.04398	1.1
297.03873	0.3
381.06137	2.7
399.07260	6.0
400.07748	0.3
441.08286	4.0
452.25381	0.3
459.09094	0.5
501.10434	28.6
502.10754	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	501.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59635	0.5
59.01377	1.3
60.03800	0.5
67.69717	0.6
83.01408	1.0
85.81805	0.5
107.01387	0.9
121.02970	0.9
142.94452	0.7
151.00386	2.2
178.99985	0.9
183.04533	1.9
211.03954	2.8
227.03510	81.7
228.03920	3.3
239.03633	1.2
255.02992	100.0
256.03601	8.1
257.04324	0.5
284.03278	78.5
285.03976	18.4
345.91953	0.6
378.24847	0.6
441.08102	1.2
501.10425	87.8
502.10809	8.4
516.94800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01172	0.4
59.01381	4.3
59.05473	0.4
59.20075	0.5
60.67480	0.5
61.98821	2.0
63.96981	0.5
65.00338	0.7
82.97614	0.4
88.22588	0.5
89.02439	2.0
98.22678	1.1
101.02475	1.0
107.01360	0.6
110.51972	0.5
111.00887	1.6
125.02383	0.8
132.02184	1.1
135.00893	0.9
149.04575	0.8
151.00395	1.6
163.00383	0.7
183.04526	1.9
187.03833	0.5
197.46019	0.6
199.03943	0.6
211.04019	2.0
215.96629	0.5
227.03511	45.6
228.03928	1.9
239.03514	0.5
255.03004	73.6
256.03561	6.2
257.04614	0.7
272.04221	0.5
283.02524	3.9
284.03284	100.0
285.03970	18.7
293.08795	1.8
317.22198	0.6
331.06195	0.9
344.59732	0.6
364.38562	0.5
381.06198	1.3
399.07248	2.1
401.17395	0.5
441.08249	2.8
459.08875	1.0
473.53430	0.5
501.10428	36.6
502.10742	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.4
61.98821	2.3
69.13815	1.8
69.14233	2.1
71.01392	5.6
73.02944	2.0
83.01388	1.1
85.02962	1.2
89.02454	7.5
92.20877	0.5
93.03468	1.6
97.03020	0.7
98.21942	1.2
99.00872	1.7
101.02444	3.5
107.01376	0.7
113.02451	1.2
117.03490	0.7
117.12141	0.6
119.03502	1.3
121.02940	0.9
125.02438	0.7
131.03519	1.4
147.00928	0.8
149.04553	3.2
151.00475	1.2
159.48328	0.6
165.12997	0.7
167.44566	0.7
176.31563	0.8
179.05666	0.8
183.04593	4.4
191.05714	1.4
211.04089	3.3
212.04683	0.7
218.35457	0.6
227.03522	75.9
228.03889	3.4
229.05061	1.3
239.03519	0.9
241.05016	0.7
249.54218	0.8
255.03006	100.0
256.03665	10.0
257.04446	0.9
268.03830	1.5
269.04584	3.4
283.02512	19.0
284.03293	84.1
285.04047	45.3
285.07281	0.9
286.04428	1.7
300.27673	0.6
381.06158	11.2
397.30453	0.7
399.07220	23.5
400.07660	1.7
441.08359	15.3
442.08749	1.2
490.54187	0.7
500.28842	1.3
501.10449	59.7
501.22830	2.0
502.10794	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69790	0.6
56.60523	0.5
58.04355	0.5
58.64561	0.5
59.01372	3.8
61.98825	0.8
65.00952	0.5
69.11858	3.8
71.01386	6.6
85.02956	1.7
86.46770	0.5
87.00880	1.0
89.02417	0.7
93.03476	2.2
113.02502	0.6
115.00394	5.1
117.69918	0.5
119.05038	1.2
121.02998	2.7
128.29117	0.5
135.04547	2.6
137.02542	0.5
149.02463	24.1
150.02708	0.6
151.04042	0.5
152.01195	2.3
160.04102	0.7
163.04062	4.9
164.04813	25.7
165.01970	0.9
165.05203	1.0
167.03476	0.6
169.05067	0.8
173.04558	2.0
175.00343	1.3
178.63470	0.6
179.05656	0.9
179.07135	6.8
187.33620	0.6
190.02740	3.6
191.04025	0.8
191.05588	4.7
193.01439	11.5
193.05084	0.7
205.05087	4.3
208.03792	29.2
209.04083	0.9
221.08031	0.6
223.06131	100.0
224.06496	3.0
241.08122	0.6
265.07230	2.5
274.87698	0.5
279.08636	1.3
295.08148	0.8
301.04922	0.6
315.58633	0.6
327.08826	4.9
385.11456	20.1
386.11746	1.3
427.12561	5.2
501.14706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39938	0.6
57.03445	1.2
59.01380	6.9
60.54367	0.6
60.99298	2.7
61.98824	3.1
63.92137	0.6
67.01894	5.2
69.03449	2.0
69.26453	1.7
69.26839	3.3
70.00348	0.6
71.01376	6.4
71.05044	0.6
71.57282	0.7
73.02978	1.0
77.39316	0.6
81.03448	1.1
83.05029	1.8
85.02958	9.4
87.00883	12.1
89.02453	3.5
90.93356	1.2
93.03464	52.9
94.03815	0.8
98.21875	1.5
99.00919	0.8
101.02448	1.8
102.05626	1.2
109.02953	2.0
111.00873	1.1
111.04530	7.8
113.02445	1.5
115.04018	2.2
116.92816	0.9
119.05036	21.1
121.02995	1.0
127.04050	1.6
127.05136	1.1
128.03560	5.8
129.01968	2.0
130.08763	1.1
131.05067	1.0
135.03015	0.8
135.04507	1.6
143.05026	2.7
144.94456	0.7
145.02986	0.7
145.06546	1.2
146.04607	1.8
149.04497	1.0
151.94978	0.7
155.03522	1.2
160.04013	1.6
163.04031	10.8
173.03078	1.6
173.04565	30.4
175.04030	1.1
179.03542	0.9
191.05632	100.0
192.05974	2.4
195.04576	0.9
197.12906	0.8
211.07709	1.2
223.07646	1.3
237.09212	4.8
239.10783	1.5
241.11969	1.2
265.08746	3.8
283.09741	7.0
327.08728	36.1
328.09045	1.6
337.09393	4.7
372.21399	1.2
457.15063	5.8
483.24643	1.0
501.14066	32.1
501.25378	5.1
502.14233	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	96.9
61.98822	6.0
69.03464	2.9
71.01392	55.6
71.05064	3.9
73.02940	19.7
83.01392	5.1
85.02960	25.5
87.00864	2.7
89.02456	100.0
96.95188	2.6
97.02988	10.2
99.00897	16.1
101.02450	48.9
111.00927	2.7
111.04565	3.2
113.02438	13.6
115.31349	3.8
119.03532	6.9
121.02966	60.9
125.02459	40.9
127.04008	5.0
131.03519	11.1
143.03493	5.3
149.04570	48.5
161.04581	6.0
177.01871	5.2
191.05627	13.7
207.13989	6.1
227.03543	3.9
255.03119	4.2
275.07687	3.9
293.08813	9.3
310.07166	6.4
325.09760	6.3
340.11890	11.1
353.46649	3.2
369.19168	5.2
441.29425	3.0
465.23386	7.8
501.23895	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	501.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	79.5
61.98837	57.7
69.68559	31.6
71.01380	69.4
73.02937	12.9
85.02956	16.3
85.22842	8.8
89.02441	48.7
98.22601	11.6
101.02444	37.3
111.00879	35.9
113.02440	24.5
115.49404	8.1
131.03554	11.4
139.80756	8.4
149.04544	26.5
161.02376	8.1
161.04469	19.8
164.04735	16.4
174.60565	8.0
183.79994	7.6
190.02724	25.2
191.05589	13.9
205.05052	31.7
223.06152	19.2
251.07521	7.6
265.07196	9.3
281.07974	8.9
283.02457	9.4
325.09735	12.3
382.65707	8.7
427.12378	29.2
446.19290	8.7
463.21814	94.4
465.22559	16.3
493.70868	8.9
501.19382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1922
Annotation	Artonin M
Peak:m/z	Relative Intensity
59.01390	79.5
61.98837	57.7
69.68559	31.6
71.01380	69.4
73.02937	12.9
85.02956	16.3
85.22842	8.8
89.02441	48.7
98.22601	11.6
101.02444	37.3
111.00879	35.9
113.02440	24.5
115.49404	8.1
131.03554	11.4
139.80756	8.4
149.04544	26.5
161.02376	8.1
161.04469	19.8
164.04735	16.4
174.60565	8.0
183.79994	7.6
190.02724	25.2
191.05589	13.9
205.05052	31.7
223.06152	19.2
251.07521	7.6
265.07196	9.3
281.07974	8.9
283.02457	9.4
325.09735	12.3
382.65707	8.7
427.12378	29.2
446.19290	8.7
463.21814	94.4
465.22559	16.3
493.70868	8.9
501.19382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2119
Annotation	Verrucarin A
Peak:m/z	Relative Intensity
52.88692	3.9
54.39966	3.7
59.01385	92.2
61.98841	49.5
69.50073	3.5
71.01385	40.5
73.02953	17.1
85.02963	11.9
89.02453	81.2
98.22653	6.9
99.00892	15.9
101.02451	41.8
110.77429	4.1
113.02464	11.7
119.03512	10.5
121.46451	3.9
124.25506	4.0
127.17074	4.6
129.08578	4.0
131.03514	15.2
149.04568	100.0
161.04553	3.8
191.05656	17.5
221.06677	10.6
227.03563	6.0
251.07642	9.2
255.03043	9.3
284.03046	6.8
285.04022	16.4
311.10031	9.7
501.10178	7.6
501.21255	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75161	1.0
54.32664	1.0
55.01875	1.2
55.06441	0.8
57.03449	13.5
58.00599	1.5
59.01385	95.7
61.98836	1.5
69.03461	5.4
71.01386	76.6
72.99341	1.2
73.02959	12.6
79.01928	0.8
81.03467	2.5
83.01394	4.1
85.02959	11.5
87.00887	3.6
89.02452	100.0
92.21304	0.9
93.94321	1.0
95.01397	2.2
97.02968	8.1
99.00893	8.0
101.02449	27.3
109.06586	1.6
110.77647	0.8
111.00901	3.4
113.02464	11.8
115.04029	2.4
119.03532	4.2
121.02992	1.8
125.02456	17.0
128.68723	0.8
130.08781	1.9
131.03523	17.3
137.09755	3.9
143.03539	1.7
149.04576	33.5
149.09723	1.5
161.04596	1.7
191.05634	11.1
192.11568	6.0
207.13905	19.7
208.14217	1.4
233.06606	6.4
251.07977	1.0
278.70621	0.9
293.08844	12.6
333.19131	1.0
354.59076	1.0
403.10190	1.0
465.23447	4.1
501.22058	3.0
524.43701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03184	0.5
55.01877	1.8
57.03445	2.1
58.00592	1.6
59.01384	100.0
60.01714	1.1
60.58958	0.5
61.98843	3.8
63.81542	0.6
67.01898	0.6
69.03456	1.2
69.15142	3.6
69.15546	1.1
71.01387	68.2
72.01720	1.1
72.99300	2.1
73.02951	15.4
75.00864	0.7
83.01403	3.4
85.02955	14.1
85.22019	0.5
87.00886	5.5
89.02451	95.7
95.01384	1.9
97.02975	2.1
99.00886	6.9
100.29799	0.6
101.02451	48.4
102.02761	0.7
111.00896	6.2
113.02457	14.4
115.04028	1.2
119.03503	8.6
119.05000	0.8
121.06601	0.7
125.02477	3.0
130.08774	0.8
131.03516	25.6
134.03728	0.9
136.82452	0.5
137.09744	2.8
143.03505	2.3
145.03024	1.1
149.04565	56.7
150.04889	0.6
159.02994	0.7
161.04590	7.2
179.05658	1.8
191.05634	16.2
193.05098	1.4
233.06715	1.0
241.36871	0.6
251.08022	0.9
266.05750	0.9
281.08255	0.7
283.02515	1.3
293.08813	1.3
307.08392	0.8
310.07303	1.0
325.09872	0.9
337.58951	0.7
340.12131	3.0
369.19159	12.9
408.11389	0.7
465.23285	1.1
501.23553	28.3
502.23596	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	501.2349
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
51.99109	1.0
55.01864	1.4
55.62860	0.9
57.03454	11.1
58.00603	1.6
59.01385	99.0
61.98830	1.8
69.03465	5.7
69.37855	3.9
71.01388	81.9
72.99292	0.9
73.02955	11.2
81.03458	3.0
83.01409	4.6
85.02947	12.0
87.00874	3.2
88.98901	1.0
89.02453	100.0
97.02955	8.4
99.00890	9.1
99.04557	0.9
101.02453	29.5
108.28540	0.8
108.82607	0.9
109.06591	2.2
111.00864	4.4
111.43062	1.0
113.02464	12.6
119.03488	4.1
121.02943	1.8
125.02459	22.1
127.76046	0.9
130.08728	1.9
131.03520	22.5
137.09723	3.6
139.04024	1.2
143.03502	2.5
149.04572	38.0
150.05000	1.3
161.04559	2.9
165.65350	0.9
173.93419	0.9
189.12926	1.4
191.05644	12.5
192.11554	5.0
207.11977	1.4
207.13933	22.3
208.14252	2.2
233.06680	6.5
245.36638	1.2
251.07906	1.9
293.08792	11.6
465.23398	5.2
501.14709	1.1
501.21716	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	502.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01331	0.5
57.03434	1.1
59.01379	7.8
61.98837	100.0
69.36437	2.9
71.01411	4.2
73.02962	1.3
85.02980	1.9
87.00899	0.8
89.02445	4.5
92.96924	0.5
93.03477	1.2
98.22654	1.3
99.00884	0.7
99.04530	1.0
101.02482	2.6
113.02485	1.8
115.09182	0.7
117.03450	0.9
124.40202	0.6
125.02469	1.2
134.03734	0.9
135.04538	1.7
136.85667	0.6
145.02979	5.8
146.08304	1.3
150.05611	1.2
160.01691	1.6
161.04567	1.4
162.03192	0.7
163.03784	0.8
164.07193	2.2
175.04031	1.2
177.05614	1.7
178.06032	1.2
179.05664	0.6
191.05681	2.5
192.05981	1.0
194.04558	1.1
201.44681	0.6
206.86853	0.6
294.39746	0.6
296.09259	0.8
326.11707	0.8
327.08780	1.4
328.09039	2.8
337.09238	1.1
340.08551	1.8
451.10553	0.8
502.22815	1.7
503.19186	2.7
503.25037	1.2
507.58154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01331	0.5
57.03434	1.1
59.01379	7.8
61.98837	100.0
69.36437	2.9
71.01411	4.2
73.02962	1.3
85.02980	1.9
87.00899	0.8
89.02445	4.5
92.96924	0.5
93.03477	1.2
98.22654	1.3
99.00884	0.7
99.04530	1.0
101.02482	2.6
113.02485	1.8
115.09182	0.7
117.03450	0.9
124.40202	0.6
125.02469	1.2
134.03734	0.9
135.04538	1.7
136.85667	0.6
145.02979	5.8
146.08304	1.3
150.05611	1.2
160.01691	1.6
161.04567	1.4
162.03192	0.7
163.03784	0.8
164.07193	2.2
175.04031	1.2
177.05614	1.7
178.06032	1.2
179.05664	0.6
191.05681	2.5
192.05981	1.0
194.04558	1.1
201.44681	0.6
206.86853	0.6
294.39746	0.6
296.09259	0.8
326.11707	0.8
327.08780	1.4
328.09039	2.8
337.09238	1.1
340.08551	1.8
451.10553	0.8
502.22815	1.7
503.19186	2.7
503.25037	1.2
507.58154	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01387	6.9
60.01727	0.4
61.98837	100.0
62.98543	0.3
69.13370	1.6
69.87538	0.3
71.01394	3.9
73.02958	0.8
75.00871	0.4
83.01411	0.3
85.02975	0.8
89.02459	4.8
90.02827	0.8
98.21935	0.5
99.00933	0.3
101.02470	1.9
111.00882	0.8
113.02485	0.8
115.94707	0.3
119.03511	0.5
131.03531	1.5
149.04564	2.6
150.04938	0.5
160.64961	0.3
171.98149	0.6
172.15288	0.3
191.05672	0.7
205.97768	0.4
247.19006	0.3
248.10725	0.3
323.18869	0.7
340.12091	0.3
464.22235	0.8
503.25470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26283	1.0
61.56678	1.0
61.98833	100.0
69.16133	6.4
85.25713	1.0
86.84733	1.0
98.22613	2.4
107.56228	1.0
124.50491	1.1
129.62973	1.0
132.04602	1.0
502.18237	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.8
59.01381	100.0
60.01719	3.6
61.98831	20.9
69.00285	3.7
71.01388	32.6
72.60725	3.4
72.84912	3.9
73.02964	12.1
73.73025	4.0
83.01395	8.5
83.05022	8.1
85.02962	16.3
87.00856	6.3
89.02467	26.8
101.02434	22.8
101.89097	3.2
113.02466	15.7
116.79855	3.4
119.03502	4.5
127.63676	4.0
137.09737	4.9
149.69398	4.0
155.10832	3.6
161.04546	7.4
193.06656	5.9
194.06989	4.6
199.37485	3.2
200.16177	3.9
201.14995	4.9
217.56886	4.3
225.16122	6.4
267.57465	3.6
293.08627	5.0
359.27921	8.5
399.23492	5.8
421.98438	3.9
458.87344	4.1
467.32303	11.4
489.22488	3.8
502.26233	11.0
503.08481	4.3
503.24997	20.4
503.32251	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01385	22.8
61.98819	3.2
63.02402	1.6
69.06165	5.8
70.42189	1.1
71.01393	10.3
73.02945	3.9
75.60394	1.0
80.91692	4.1
83.01377	2.7
85.02970	5.0
87.00900	2.1
89.02470	9.2
98.21793	2.3
99.00902	1.1
101.02476	7.6
107.00626	1.1
107.01377	2.3
109.02875	1.2
110.91726	1.1
113.02449	5.0
119.03517	1.7
125.02533	1.5
125.57336	1.0
131.24414	1.1
145.02962	1.4
149.04590	3.3
151.00397	4.1
158.03810	5.5
160.01703	1.3
161.02441	1.6
161.04588	2.9
163.15446	1.2
170.03741	1.8
174.03282	1.4
175.04030	1.4
178.02815	1.2
180.52669	1.1
186.03226	11.4
189.02007	1.9
198.03104	1.8
199.03941	1.3
201.01834	1.6
214.02740	16.4
215.03596	1.2
216.00587	3.5
218.02202	1.4
227.03481	1.5
241.01447	100.0
242.02223	68.5
243.02841	6.3
245.00897	18.5
267.03040	1.8
270.01715	91.1
271.02469	43.0
272.02869	2.4
273.00604	1.2
282.01706	2.8
295.02493	2.3
298.01212	73.4
299.01974	48.5
300.02301	2.8
311.15042	2.3
323.01904	2.1
324.02731	1.9
325.03476	3.6
371.20724	1.2
443.06262	11.2
443.19006	2.3
475.08746	3.0
503.08334	60.7
503.25027	6.6
504.08621	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	503.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16519	1.3
50.43281	1.2
55.01862	1.6
55.68510	1.3
57.03447	3.4
58.76343	1.2
59.01382	74.6
61.98838	13.8
64.63157	1.2
65.00348	2.8
65.56379	1.2
67.41498	1.5
70.37933	1.1
71.01387	49.3
72.99294	3.5
73.02952	11.8
75.00861	1.7
83.01408	3.3
85.02956	10.6
86.56739	1.5
87.00883	20.3
89.02448	57.7
91.01915	7.4
97.02973	2.0
99.00886	4.1
101.02451	33.2
108.02165	3.5
109.02962	100.0
110.03273	3.0
111.00896	4.3
113.02462	13.2
119.03495	6.2
121.02972	3.2
122.03777	1.4
125.02462	3.2
130.99896	4.7
131.03505	19.9
135.04527	1.8
143.03496	1.5
145.02934	2.7
146.03757	38.3
147.04469	4.3
149.00906	9.1
149.04565	34.9
158.03735	48.4
159.04530	40.9
161.04611	3.4
161.06065	6.9
166.39261	1.3
173.06091	41.8
174.06464	2.9
177.01913	2.0
179.05659	3.0
191.05627	12.6
239.07033	1.5
241.01526	1.5
251.07266	1.5
266.03076	1.7
266.05875	22.5
267.06631	65.6
268.07346	24.0
281.05627	1.4
281.08151	7.7
283.09784	44.1
284.09903	2.5
293.08704	1.8
323.18649	2.4
327.08777	65.2
328.08914	4.4
371.07718	1.5
371.20654	4.5
438.29031	1.4
465.23792	3.4
467.24997	9.4
503.07983	2.5
503.25323	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78762	6.9
54.22573	6.8
55.86860	5.4
59.01384	85.2
61.98827	14.2
63.65624	5.6
69.75493	6.2
71.01380	38.8
71.23353	8.6
73.02951	20.5
75.00866	18.1
78.95911	18.0
85.02947	12.2
87.00864	7.7
89.02446	69.2
96.96022	53.7
96.96969	24.7
99.00889	18.9
101.02461	40.2
104.54514	7.5
113.02473	10.7
128.03554	7.3
131.03522	15.7
133.75636	7.0
134.03722	31.8
135.04562	54.4
149.02524	14.5
149.04572	73.2
149.05785	12.3
159.11292	6.3
160.01717	8.4
161.02510	14.1
161.04581	13.5
164.04787	10.4
175.04030	15.4
178.02731	22.5
179.03514	21.4
179.05641	44.3
191.05595	17.4
193.05084	62.2
203.03534	8.2
205.05061	11.6
217.97466	8.3
223.06134	23.8
251.07784	13.2
265.07175	9.0
281.13852	11.6
293.08850	8.2
323.07599	11.4
340.15656	7.3
341.08908	18.2
355.10571	8.3
443.21640	8.0
465.20291	7.4
467.21304	21.7
495.21875	7.3
503.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78762	6.9
54.22573	6.8
55.86860	5.4
59.01384	85.2
61.98827	14.2
63.65624	5.6
69.75493	6.2
71.01380	38.8
71.23353	8.6
73.02951	20.5
75.00866	18.1
78.95911	18.0
85.02947	12.2
87.00864	7.7
89.02446	69.2
96.96022	53.7
96.96969	24.7
99.00889	18.9
101.02461	40.2
104.54514	7.5
113.02473	10.7
128.03554	7.3
131.03522	15.7
133.75636	7.0
134.03722	31.8
135.04562	54.4
149.02524	14.5
149.04572	73.2
149.05785	12.3
159.11292	6.3
160.01717	8.4
161.02510	14.1
161.04581	13.5
164.04787	10.4
175.04030	15.4
178.02731	22.5
179.03514	21.4
179.05641	44.3
191.05595	17.4
193.05084	62.2
203.03534	8.2
205.05061	11.6
217.97466	8.3
223.06134	23.8
251.07784	13.2
265.07175	9.0
281.13852	11.6
293.08850	8.2
323.07599	11.4
340.15656	7.3
341.08908	18.2
355.10571	8.3
443.21640	8.0
465.20291	7.4
467.21304	21.7
495.21875	7.3
503.19272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.4
55.39207	0.3
57.03460	2.1
58.00604	1.7
59.01385	100.0
60.01704	0.4
63.97839	0.3
69.03464	1.4
69.15874	1.9
71.01390	69.0
72.01720	0.4
72.99313	1.6
73.02954	15.7
75.00883	0.5
78.14470	0.3
81.03481	0.6
83.01397	4.9
85.02958	14.6
86.00112	1.2
87.00890	6.2
89.02454	99.5
90.02762	0.8
95.01417	1.6
97.02960	1.9
98.21921	0.8
99.00891	1.9
101.02455	50.3
111.00875	2.4
113.02463	14.2
113.03266	0.7
115.04040	0.6
119.03509	7.7
121.19994	0.3
125.02482	3.2
131.03520	42.3
132.03839	0.8
135.43265	0.3
143.03543	2.0
149.04573	77.1
149.20589	0.3
150.04956	1.1
150.07121	0.3
161.04562	2.4
179.05666	1.1
191.05637	22.6
192.05933	0.5
233.06786	1.0
251.07701	1.0
280.67081	0.4
293.08759	0.6
311.09775	0.5
326.11307	0.3
341.13907	0.5
371.20609	0.6
419.45776	0.4
446.21707	0.4
488.17084	0.5
503.18936	2.3
503.25656	1.7
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
55.01885	2.1
56.59236	0.4
57.03457	4.3
58.00595	1.2
59.01384	96.3
60.01726	0.7
61.32787	0.3
66.59464	0.4
69.03443	1.8
69.09638	2.0
71.01389	68.8
72.01738	0.6
72.99319	1.4
73.02952	16.6
75.00884	0.6
81.03442	0.7
83.01393	4.2
83.05043	0.8
85.02959	13.5
86.00093	0.6
87.00882	4.7
89.02453	100.0
90.02781	0.6
95.01394	1.2
97.02970	2.3
98.22639	0.5
99.00893	9.8
99.04523	0.5
101.02453	47.4
102.02850	0.4
109.02950	1.0
111.00885	1.8
113.02463	14.9
115.03997	1.1
119.03512	7.2
119.87924	0.3
125.02458	5.1
129.23198	0.3
131.03520	37.2
143.03520	2.3
146.03696	0.7
147.04570	0.6
149.04568	80.1
150.04878	1.0
159.03032	0.7
161.04579	3.6
166.06482	0.3
179.05638	1.1
191.05627	21.6
209.15508	1.2
221.06667	1.0
233.06633	0.5
235.70979	0.4
246.45529	0.3
251.07796	2.3
283.09818	0.6
293.08679	1.2
311.09854	1.1
503.25156	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	503.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42714	0.5
55.01879	1.9
55.06548	0.5
57.03448	6.1
58.00589	1.1
59.01384	82.9
61.98849	1.3
63.68502	0.5
64.99902	0.5
69.03459	1.6
70.57218	0.5
71.01388	67.5
72.99300	1.4
73.02953	25.3
81.03461	1.0
83.01395	3.7
83.05028	1.2
85.02951	14.3
87.00907	1.5
89.02454	100.0
89.45425	0.5
90.02783	0.9
95.01400	2.5
97.02985	2.7
98.22643	0.9
99.00892	28.7
99.04518	0.8
101.02452	45.9
102.02779	0.8
113.02470	14.1
115.04021	1.7
119.03533	4.7
125.02470	7.1
131.03516	19.5
143.03522	2.4
146.03758	0.8
147.04552	2.6
149.04576	74.1
150.04929	0.7
151.00459	0.8
159.03139	0.7
161.04594	4.4
179.05682	1.1
187.41563	0.5
189.83035	0.6
191.05647	17.7
209.15538	1.1
216.69926	0.6
221.06714	4.0
233.06622	1.6
251.07715	6.9
258.84134	0.6
275.07590	0.6
293.08740	1.7
311.09753	1.3
341.03043	1.0
442.21860	0.6
443.19492	0.6
503.25079	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	503.2505
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.01880	1.6
57.03455	2.8
59.01384	93.5
69.03465	1.2
69.13297	3.1
71.01387	64.3
72.01732	0.8
72.99318	1.4
73.02952	22.8
75.00886	1.1
82.98973	0.4
83.01399	4.5
85.02958	15.7
87.00896	2.3
89.02451	100.0
90.02784	1.3
95.01414	1.9
97.02926	2.6
99.00887	25.7
99.04591	0.6
100.01198	0.5
101.02453	47.8
102.02800	0.7
111.00976	0.6
113.02464	16.9
113.03262	0.8
115.04002	1.1
117.05647	0.5
119.03500	6.4
121.03001	0.6
125.02471	5.9
131.02530	1.2
131.03519	22.1
143.03476	2.9
149.04568	79.3
150.04938	1.1
159.03003	1.0
161.04584	7.6
179.05641	2.4
179.27011	0.5
186.03169	0.6
191.05617	17.6
214.02733	1.1
221.06645	3.7
233.06702	1.3
241.01424	4.8
242.02171	4.1
245.00967	0.7
251.07736	6.2
270.01636	3.7
271.02451	2.5
293.08804	2.0
298.01093	1.8
299.01971	2.8
311.09784	1.6
371.20679	5.3
382.56561	0.5
387.89703	0.5
465.23669	0.5
503.08655	5.3
503.25024	16.5
504.25583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35957	1.0
55.01882	5.0
57.03438	5.1
58.00614	1.1
58.72793	0.9
59.01387	100.0
60.01716	1.5
61.98838	8.4
69.03461	2.9
69.93160	1.5
69.93484	1.9
71.01391	82.3
72.01757	1.3
72.09899	0.8
72.99319	2.1
73.02953	22.2
83.01405	9.4
85.02958	26.3
87.00898	4.4
89.02455	72.1
95.01350	2.3
97.02962	3.9
99.00887	13.9
99.04526	1.8
101.02456	51.6
109.02887	1.0
111.00859	6.6
113.02474	23.9
115.04024	2.4
119.03530	8.4
125.02467	6.9
130.08727	1.9
131.03529	22.6
143.03534	5.5
149.04570	32.5
155.03439	1.0
159.03023	2.7
161.04568	14.9
166.19093	0.9
179.05684	4.5
191.05644	7.5
209.15540	3.6
215.05663	1.9
221.06639	1.6
233.06715	6.8
236.41110	1.1
242.02060	1.0
251.07816	1.0
270.01843	1.6
293.08902	2.8
317.44727	1.1
319.07614	1.0
326.11505	1.3
327.12323	1.4
353.19733	3.9
355.12070	1.7
371.20779	35.2
371.25351	2.0
372.21246	1.4
443.23059	1.2
467.25464	3.1
472.74377	1.0
473.14502	1.5
503.09088	2.6
503.19269	8.8
503.25247	85.0
504.25320	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	505.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09883	0.8
55.01871	2.6
57.03462	4.3
59.01385	38.8
61.98817	2.5
65.00349	0.9
71.01388	35.9
71.01785	2.0
72.99316	1.0
73.02956	14.8
79.38097	0.8
81.03485	0.9
83.01399	6.6
85.02957	17.1
87.00883	3.0
89.02451	12.8
93.03469	2.8
95.01402	3.3
96.89909	1.0
97.02959	1.6
99.00889	6.2
101.02451	32.5
102.98591	2.8
107.01414	2.8
108.02179	2.0
109.02953	2.2
111.00903	1.7
113.02454	14.7
115.03976	1.0
115.54119	0.8
116.92855	1.0
118.98105	1.6
119.03504	2.0
121.02981	1.9
123.04572	1.8
125.02410	2.3
129.01923	1.3
130.08672	1.1
131.03513	1.8
132.02237	0.9
134.03798	1.1
135.00879	1.3
135.04553	0.9
137.02441	2.9
143.03508	1.9
148.01767	0.9
149.02434	0.8
149.04524	2.0
151.00400	7.9
158.03712	1.0
159.03036	2.6
160.01678	2.4
161.02527	1.2
161.04576	16.2
163.00400	2.6
164.01163	1.1
167.03586	1.4
175.04010	2.6
177.01898	1.1
178.02203	0.8
178.99883	2.9
187.03969	1.0
190.02698	1.5
191.05672	4.3
193.04987	0.8
199.04106	1.7
211.04086	0.8
226.02773	1.4
227.03503	2.8
233.06662	1.5
243.03014	9.4
244.03345	0.9
251.05759	1.0
254.02251	2.4
255.02998	26.4
255.05659	1.3
271.02502	52.0
272.02930	3.7
283.02353	1.3
283.05048	1.4
299.02057	2.3
300.02771	100.0
301.03519	29.2
302.03967	1.3
325.20288	1.5
373.22336	46.9
374.22510	1.6
383.09830	1.5
426.08423	1.0
445.24811	1.2
461.14621	1.7
463.08987	7.7
504.27853	1.4
505.09958	59.1
505.26639	56.8
506.10132	4.2
506.27127	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47222	0.4
52.51933	0.4
56.03180	0.4
59.01379	2.0
61.90735	0.5
65.00301	1.1
69.61567	1.8
71.01373	0.5
83.01363	0.7
91.01894	0.5
102.52502	0.4
107.01402	1.1
108.02186	1.7
121.02953	1.5
135.00905	0.7
148.01698	1.4
151.00392	5.6
163.00409	1.1
175.07538	0.4
178.99847	2.5
183.04520	0.8
192.00656	0.6
199.04063	1.5
211.03967	1.2
215.03549	0.9
226.02785	0.8
227.03494	2.8
243.03008	11.1
244.03493	0.8
254.02213	1.7
255.02998	27.8
256.03409	0.9
271.02499	59.9
272.02936	3.6
273.03940	0.7
283.02545	0.8
299.01996	4.1
300.02768	100.0
301.03461	21.4
302.03827	1.2
442.71655	0.6
445.07736	1.8
463.08911	1.4
481.92050	0.5
502.21323	0.5
505.09943	33.0
505.26352	0.9
506.10150	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	505.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77704	0.3
59.01372	2.3
63.02360	0.6
65.00327	1.0
69.50008	1.3
69.50341	0.4
71.01366	1.7
73.02950	0.8
83.01411	1.0
85.02969	0.6
89.02429	0.6
93.03461	0.4
99.00854	0.5
99.59640	0.3
101.02424	0.9
107.01395	2.8
108.02150	2.0
109.02946	1.8
113.02462	0.6
121.02948	1.4
125.02469	0.5
135.00899	1.4
148.01721	1.8
149.02458	0.5
151.00385	9.9
159.04430	0.6
163.00435	3.6
164.01208	0.9
178.99855	4.9
182.03758	0.5
183.04552	0.6
187.03821	0.4
190.99791	0.5
192.00571	0.6
198.03217	1.0
199.04002	1.6
201.01950	0.5
211.04015	1.6
215.03539	0.8
216.04338	0.7
226.02715	4.1
227.03488	4.1
229.05020	0.9
239.03555	0.4
243.02989	17.8
244.03383	0.8
245.04498	0.7
254.02235	4.8
255.02985	25.5
256.03439	1.2
271.02490	81.9
272.03003	5.4
273.04016	0.6
283.02408	1.2
299.02002	1.6
300.02759	100.0
301.03503	39.2
301.07147	0.6
302.03809	1.4
343.04623	0.5
372.21002	0.7
463.08810	2.7
504.25702	1.1
505.09933	76.3
506.10220	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	505.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89833	0.7
59.01367	1.6
69.13081	1.1
69.13486	3.3
77.45208	0.7
82.82146	0.6
83.99405	0.7
107.01433	1.6
108.02180	2.0
135.00859	0.8
148.01733	1.2
151.00369	3.5
162.58968	0.7
163.00378	1.4
164.01225	0.6
178.99902	2.2
199.03984	1.1
211.04063	1.0
226.02745	1.1
227.03535	2.8
243.02989	10.8
254.02191	1.7
255.03003	23.8
256.03317	1.4
271.02505	56.8
272.02960	3.3
299.02060	6.4
300.02765	100.0
301.03397	12.6
359.33206	0.7
361.35086	0.7
445.07635	3.3
463.08865	2.1
505.09964	29.4
506.10086	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	505.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
57.03466	0.4
59.01385	14.6
60.01714	1.3
61.98811	0.4
63.02399	0.7
65.00317	0.9
69.45978	1.1
69.46392	0.7
71.01388	9.2
72.01723	1.5
73.01792	0.5
73.02941	2.9
74.03275	0.4
83.01392	1.5
85.02960	2.0
86.03292	0.7
87.00888	0.8
89.02454	11.3
90.02795	1.6
91.01881	0.4
91.02850	0.6
99.00877	1.2
101.02457	6.3
102.02802	1.2
103.02844	0.4
107.01406	2.2
108.02182	1.9
109.02930	1.2
113.02462	2.4
114.02802	0.9
119.03524	1.5
121.02953	1.4
125.02502	0.5
130.88264	0.3
131.03514	2.6
132.03879	0.9
133.04008	0.5
135.00880	1.0
148.01704	1.4
149.04568	5.5
150.04910	1.5
151.00389	8.7
151.05023	0.8
161.04565	1.3
162.04832	0.4
163.00394	1.9
164.01262	0.5
169.01549	0.3
178.99855	4.7
179.05675	0.8
183.04501	0.5
191.05652	1.3
192.00723	0.4
199.04012	1.5
211.03961	1.2
215.03506	1.0
216.04312	0.6
226.02768	2.2
227.03526	3.7
229.01389	0.5
229.05153	0.5
243.02991	13.4
244.03450	1.0
245.04530	1.2
254.02245	2.5
255.03003	25.1
256.03342	1.4
271.02505	64.6
272.03024	4.4
273.03979	0.8
283.02475	1.0
299.02042	1.9
300.02774	100.0
301.03494	30.1
301.07169	0.4
302.03891	1.3
371.20682	0.5
372.21054	1.3
445.07700	0.6
463.08875	4.1
504.25357	4.6
505.09949	57.6
505.25449	5.3
506.10086	3.7
526.56561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20626	0.4
61.09501	0.4
62.23746	0.4
69.11789	2.1
75.36720	0.4
96.96015	0.5
98.21813	0.6
121.02966	100.0
122.03291	1.8
147.75520	0.5
160.84171	0.6
175.24278	0.4
180.05833	0.9
181.06552	3.6
197.06073	2.8
207.04556	1.6
207.08159	0.5
210.59373	0.4
223.03967	0.6
225.05643	2.4
257.09662	1.0
271.02411	0.4
285.09180	0.5
295.05920	0.5
300.02774	0.8
313.07187	5.9
317.22128	0.4
357.06177	0.7
383.07736	1.4
417.09814	11.1
418.10245	0.6
433.09222	0.6
461.12384	0.6
505.11514	7.4
506.11981	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.2
61.98821	4.4
71.01394	11.3
71.43585	1.0
73.02968	1.1
75.00919	1.1
85.02942	1.8
87.00845	1.4
88.98843	1.1
89.02448	5.2
93.02995	1.1
93.03474	8.9
93.81326	1.1
96.96013	2.0
98.22677	1.1
101.02439	3.9
108.02185	8.0
109.02964	17.2
111.00893	1.6
113.02450	3.2
114.05581	1.9
115.00383	6.8
116.05096	1.5
119.03527	1.9
119.05003	2.8
120.01247	3.0
121.02935	3.4
122.03786	5.6
123.04564	2.3
131.03627	0.9
131.04948	2.1
133.02962	5.0
133.06555	1.3
134.03786	1.1
135.04538	10.0
137.02446	2.2
138.01976	2.0
138.05620	2.0
145.02896	1.3
145.06618	1.1
146.03726	1.3
147.04517	3.6
147.49890	1.0
148.05292	4.6
149.06058	2.6
150.03191	1.0
160.04060	34.9
161.02481	2.0
161.04460	2.0
161.06090	5.2
163.04019	1.8
179.03410	3.1
185.06122	1.0
187.17514	1.1
191.05582	1.5
204.02777	1.0
213.09328	1.3
226.06352	17.1
227.07152	13.6
237.09210	2.7
251.07190	1.4
253.06184	1.7
253.08755	38.1
254.09389	5.4
255.10284	100.0
256.10580	4.9
299.09204	5.9
307.14075	1.8
343.08255	13.0
389.12637	1.5
415.16229	1.2
418.63373	1.1
505.13577	47.9
506.13861	2.9
531.28107	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
58.62557	0.5
59.01382	3.2
61.98834	1.1
67.16300	0.6
71.01391	4.3
71.44291	0.5
73.02983	0.6
85.02965	0.5
89.02483	1.1
93.03471	4.9
96.96019	0.8
96.96989	0.8
98.95636	1.0
99.00922	1.1
101.02421	1.3
108.02192	10.4
109.02969	18.8
113.02484	0.5
115.00414	4.0
119.05038	0.9
121.02995	1.1
122.03754	6.9
123.04545	1.0
131.05048	0.5
133.02950	2.6
133.06627	1.2
135.04539	4.3
145.06628	1.2
147.04538	1.2
148.05325	1.8
149.06067	1.0
160.04083	4.2
161.04750	0.6
161.06036	2.7
162.06828	0.8
179.03464	2.8
211.68961	0.6
213.09251	0.9
226.06378	13.0
227.07149	19.9
228.07474	1.1
239.07097	1.1
253.08713	8.1
254.09453	0.8
255.10283	100.0
256.10678	5.8
281.08347	0.5
299.09256	5.5
343.08237	5.5
344.08359	0.8
389.12357	1.3
445.16962	0.7
469.11438	0.7
491.34064	0.6
502.74335	0.6
505.13586	48.0
506.14053	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	505.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
61.98832	0.9
69.05999	1.8
71.01399	0.9
73.02945	0.3
73.33244	0.2
78.91906	0.3
82.95418	0.3
83.05001	0.2
84.93166	0.2
85.02971	0.3
89.02451	0.5
95.63720	0.2
99.00900	0.3
101.02445	0.8
109.02981	0.2
111.00893	0.2
113.02386	0.3
114.05614	3.0
116.05076	4.0
119.03544	0.3
132.73668	0.2
141.09239	0.3
144.02309	0.2
145.53459	0.3
153.03847	0.2
156.06662	0.9
159.03252	1.1
160.04057	100.0
161.02444	1.0
161.04416	3.3
176.04875	0.3
179.03519	1.6
194.05888	1.6
202.05154	0.3
204.03030	5.9
205.01704	0.7
209.08206	6.5
238.88771	0.2
255.10530	1.3
257.09329	0.9
299.10373	0.8
304.08441	0.3
348.07132	0.7
366.08417	0.3
461.15240	0.3
505.14563	17.0
506.14771	1.2
527.05695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01385	6.4
61.98825	1.1
68.66922	0.3
69.09626	1.1
69.10043	1.1
70.07346	0.3
71.01386	4.0
73.02949	1.4
83.01411	0.4
85.02961	1.0
85.99996	0.4
87.32118	0.4
88.98799	0.4
89.02448	3.4
93.10870	0.4
98.22655	0.6
99.04523	0.7
101.02470	2.4
107.79649	0.4
111.00954	0.4
113.02466	1.3
119.03525	0.5
125.02473	0.5
126.99578	12.6
131.03529	0.5
131.08681	2.4
148.17937	0.3
149.04578	1.7
151.03212	2.9
154.99084	0.7
161.04512	0.4
163.07700	2.5
165.04767	3.4
167.06346	100.0
168.06656	3.0
191.05595	0.4
199.04019	0.7
211.05338	33.5
212.05644	0.9
223.13373	0.5
226.05110	1.3
270.04056	1.7
271.02393	1.6
275.10742	0.3
293.08856	0.6
300.02640	1.5
301.03375	0.4
302.06674	1.1
373.22620	0.4
505.09842	0.6
505.30899	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	505.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.8
58.00598	0.6
59.01384	18.7
61.98822	1.0
69.03457	1.0
70.53250	0.5
70.53596	0.3
71.01385	14.9
72.99258	0.4
73.02953	5.2
75.00883	2.1
80.09480	0.3
81.03484	0.6
83.01404	1.3
85.02974	2.9
88.42557	0.4
89.02452	20.4
95.01403	0.5
97.02989	2.9
99.00884	4.9
99.04546	0.5
101.02450	12.2
107.65146	0.4
111.00902	0.6
113.02466	2.2
115.03991	0.8
119.03511	0.7
125.01540	0.5
125.02455	9.9
126.99568	12.0
127.03975	0.5
127.99937	0.3
131.03502	3.1
131.08685	3.3
143.03535	1.0
149.04570	6.4
151.03227	3.2
155.99748	0.4
161.04556	1.1
162.91663	0.4
163.07646	2.2
165.04739	2.0
167.06340	100.0
168.06680	3.4
184.68861	0.3
191.05675	2.5
211.05331	30.7
212.05635	0.8
225.06879	2.2
233.06676	6.4
253.06392	6.3
254.06721	0.4
255.03185	0.4
271.02609	1.0
275.07834	0.7
283.07462	1.4
293.08832	8.2
300.02759	1.6
505.10342	0.4
505.33228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70267	0.5
54.32495	0.6
57.03455	0.9
59.01385	21.5
61.98835	1.0
69.03441	1.3
70.55955	1.2
71.01386	14.8
72.99297	0.5
73.02954	4.5
75.00883	2.2
78.87112	0.5
81.03485	0.7
82.86567	0.5
83.01382	1.2
83.29496	0.5
85.02938	2.7
87.00873	0.7
89.02457	20.7
95.01379	0.6
97.02950	2.1
99.00886	5.1
101.02448	10.8
112.26860	0.5
113.02464	1.6
115.04021	1.5
119.03461	0.5
125.02464	10.5
126.99578	9.8
131.03499	3.5
131.08694	2.4
143.03519	0.8
144.42581	0.4
149.04578	7.0
151.03168	2.8
161.04602	0.9
163.07669	1.8
165.04781	2.1
167.06351	100.0
168.06721	3.3
191.05640	3.0
211.05330	29.8
212.05649	1.2
225.06889	3.4
233.06708	5.2
253.06422	5.6
254.06671	0.8
255.03047	0.7
271.02509	1.3
275.07867	0.6
283.07224	0.6
293.08817	8.8
300.02740	2.6
387.87534	0.5
505.09790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91161	0.6
55.01895	0.7
57.03442	1.2
59.01384	29.0
60.01696	1.2
61.11679	0.5
61.98828	2.6
65.00303	0.8
69.09883	4.8
71.01389	15.7
71.05072	0.8
72.01710	0.6
73.02956	3.2
75.00874	0.9
82.60368	0.7
83.01414	1.1
85.02924	3.5
86.00095	0.6
87.00875	2.4
89.02448	16.4
90.02806	1.2
91.01900	2.2
93.03484	1.7
95.01404	1.0
95.54751	0.7
101.02452	9.2
102.02798	1.3
103.02892	0.6
107.05028	0.6
111.00864	0.8
113.02455	3.9
114.02844	0.7
118.12151	0.6
119.01395	6.4
119.03534	1.7
119.05040	4.4
121.02982	3.0
123.04489	0.6
125.02432	0.7
131.03506	4.4
132.03893	1.1
134.03722	2.0
135.04507	2.6
137.06107	3.4
147.00891	5.5
147.04529	1.1
149.02464	17.7
149.04512	6.4
149.10876	0.6
150.03253	3.0
150.04868	1.4
151.03902	0.7
151.05058	1.3
160.01680	0.8
161.02444	1.4
161.04547	1.1
163.04027	4.4
164.04805	15.3
165.01923	1.6
165.05576	1.5
175.00380	29.7
176.01154	4.3
177.01872	2.2
179.05664	0.7
179.07170	2.1
190.02730	71.2
191.03438	10.1
191.05614	1.6
192.04335	1.3
192.05933	1.0
194.02232	1.0
205.05069	68.4
206.05588	3.7
207.06656	1.2
208.03827	1.4
209.04538	4.5
217.10777	0.7
221.08246	1.0
223.06139	16.1
224.06604	1.0
243.02763	0.6
251.05617	2.3
255.02951	0.8
265.07211	3.0
271.02463	3.5
281.06601	1.6
300.02713	5.4
301.03589	1.5
311.07718	2.0
325.09314	1.2
367.10321	1.2
371.09787	1.0
387.10754	1.0
490.14484	3.1
505.17200	100.0
505.26126	7.2
506.17606	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	505.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.14458	0.7
57.03456	58.8
59.01386	100.0
60.01752	0.9
61.98838	16.5
64.10692	0.8
66.50771	0.7
71.01387	24.5
71.42685	1.0
72.85962	0.7
72.99314	1.1
73.02960	10.8
81.03472	1.8
82.95426	1.7
83.01405	5.0
83.05044	1.3
85.02971	8.7
87.00896	2.4
89.02451	14.7
95.01408	2.5
96.00934	1.3
96.96017	1.0
97.06579	1.0
98.02509	1.5
99.00901	2.0
99.04530	69.9
100.04850	0.8
101.02454	25.6
102.02770	0.8
102.98616	2.4
105.86352	0.7
108.02181	2.2
111.00932	1.5
113.02467	8.0
118.06707	1.0
119.03454	3.7
121.02947	1.3
125.02457	26.8
126.02811	0.9
129.10292	1.1
131.03546	1.2
133.01718	2.8
134.02509	2.2
134.03627	0.7
137.09766	0.7
140.90753	0.8
141.01180	0.9
141.09203	0.7
143.03506	1.4
146.82161	0.8
147.04543	0.9
148.01701	1.3
149.04601	2.7
150.02046	1.6
151.00401	4.3
155.10866	1.5
160.01697	0.9
160.04083	1.1
161.04575	2.7
164.07224	2.5
165.04329	1.7
171.04582	1.0
175.04008	1.5
178.99902	2.8
179.05582	1.1
181.12326	6.7
191.05679	1.3
193.05075	1.4
199.03899	1.3
199.13531	1.9
201.11319	0.9
205.65279	0.9
207.10310	1.0
211.04088	1.2
215.03503	1.0
225.04221	0.8
226.02791	2.2
227.03497	2.7
242.01973	1.3
242.46844	0.9
243.02968	10.0
254.02229	1.7
255.03004	23.4
256.03531	1.6
269.03372	3.5
270.04211	4.3
271.02509	53.0
272.02869	4.9
272.16895	0.9
281.09387	1.9
283.05066	1.4
299.02023	5.6
300.02777	98.9
301.03400	16.9
302.03659	1.3
302.06674	5.6
325.20358	0.9
343.13852	0.8
343.17535	3.6
343.21286	1.0
361.18719	37.0
373.22440	1.6
403.19760	20.2
403.24741	1.2
404.20248	1.3
443.23077	2.4
445.07492	3.8
445.24673	4.1
446.25070	0.9
463.08826	1.2
463.25519	7.2
469.06848	1.7
470.23126	4.2
474.11008	1.2
487.25873	1.9
505.10071	38.6
505.27075	32.0
506.12286	4.3
506.27335	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2577
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.47202	1.0
68.68306	1.0
69.11102	3.9
69.11501	2.3
78.95914	13.2
82.84960	1.0
92.15316	1.1
152.99609	20.1
156.33801	1.2
171.00606	1.8
227.03268	2.5
245.04387	1.8
277.21756	100.0
278.22089	3.6
284.30484	1.0
300.02713	1.6
335.14493	1.0
505.25815	33.4
506.25848	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	505.2659
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.01888	4.9
57.03450	2.8
58.00598	0.6
59.01385	34.4
67.13137	0.6
69.03440	1.7
69.18062	2.0
69.18468	1.6
71.01389	41.9
72.99355	0.5
73.02954	22.7
75.00884	1.8
83.01397	9.6
85.02961	23.1
86.00097	1.0
87.00871	3.2
89.02451	12.8
89.95934	0.5
95.01405	3.2
97.02953	3.0
99.00887	7.6
101.02453	41.4
102.47482	0.5
111.00888	1.1
113.02457	18.0
115.04021	1.6
118.52790	0.5
119.03494	1.9
125.02454	4.0
127.03986	0.6
131.03531	2.6
131.85535	0.6
143.03523	2.4
143.22302	0.6
144.83162	0.6
149.04535	3.0
159.03036	2.9
161.04567	17.7
191.05571	0.7
233.06644	2.0
293.08896	0.8
373.22324	42.0
374.22824	2.6
403.87070	0.6
505.26578	100.0
506.26962	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	505.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.0
55.83645	0.2
57.03453	5.5
58.00592	1.5
59.01385	82.3
60.01710	0.6
60.15417	0.3
60.55145	0.2
67.01899	0.3
68.99836	0.7
69.03461	2.7
69.19218	1.5
71.01387	80.5
71.05029	0.3
72.01719	0.8
72.99318	2.8
73.02952	23.5
75.00875	1.4
79.01867	0.2
80.07370	0.2
81.03465	1.2
83.01393	14.2
85.02957	29.9
86.00115	1.1
87.00886	3.5
87.04518	0.7
89.02454	41.3
90.02773	0.4
95.01402	3.4
97.02972	3.6
99.00888	7.7
99.04542	0.7
101.02452	62.9
102.02802	0.7
109.02973	0.5
111.00889	7.4
111.04546	0.3
113.02461	24.1
114.02812	0.4
115.04048	2.0
119.03503	3.3
121.02983	0.3
125.02460	5.2
125.03326	0.4
127.04031	0.5
128.01167	0.4
129.01941	1.7
131.03516	23.1
137.02470	0.5
139.04037	0.4
141.01993	0.3
143.03514	4.2
143.07155	0.4
144.03918	0.3
149.04572	13.0
155.03488	0.4
159.03018	3.5
161.04572	20.5
162.04880	0.3
173.04597	0.6
179.05635	0.5
187.06166	0.6
191.05655	2.0
203.05733	0.4
215.05623	2.1
233.06679	6.8
252.87112	0.3
271.02197	0.3
281.17334	0.3
293.08862	1.9
349.91803	0.2
355.21295	2.7
373.22336	61.8
374.22635	3.8
393.10257	0.2
487.25510	0.8
488.25781	0.3
505.26584	100.0
506.26862	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	506.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98839	0.6
69.59260	0.9
69.59656	0.9
71.01389	1.4
78.95901	1.7
80.71068	0.4
85.02959	0.6
89.02439	0.9
94.02973	0.7
98.22750	0.7
101.02477	0.9
111.00872	0.5
118.02980	3.9
119.21320	0.5
122.02496	5.9
123.00900	0.8
131.05022	0.5
132.38823	0.4
137.02417	0.8
150.01981	18.5
151.02692	0.5
152.99628	0.5
161.04735	0.5
166.01439	0.8
170.06155	3.0
180.03029	0.6
181.03801	2.1
182.04608	12.1
182.06070	0.9
197.04686	0.9
198.05589	6.0
208.04163	0.9
209.04858	1.7
213.04373	0.5
225.04303	4.7
226.05109	58.6
227.03505	0.7
227.05484	1.8
229.08719	0.8
230.09445	1.1
239.04459	0.5
241.03738	1.2
250.24635	0.5
269.03369	3.2
270.04092	100.0
271.04456	4.0
302.06720	54.4
303.07092	2.4
309.20941	1.1
386.10757	3.0
446.10754	0.6
474.10367	6.0
505.33939	0.6
506.13095	23.8
507.13525	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	506.2165
Annotation	Stephalonine B
Peak:m/z	Relative Intensity
59.01384	26.9
59.39689	8.3
70.54921	13.3
70.55247	11.6
71.01364	12.8
84.45865	9.5
89.02467	16.9
97.27021	9.6
147.04613	14.7
151.58115	9.9
164.07135	21.8
193.32460	9.1
193.70592	9.0
203.06590	9.7
262.65784	10.6
341.10635	16.7
506.21689	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	41.2
61.98824	29.7
71.01374	22.0
83.42661	8.6
87.00849	11.5
89.02419	12.9
101.02403	10.6
111.00896	10.6
126.98027	11.3
134.55905	9.9
135.04552	13.6
190.94383	17.7
238.97461	9.9
256.10544	14.0
281.73102	9.9
332.22049	9.2
346.01486	9.3
348.93274	17.2
506.21536	100.0
507.14597	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	506.2166
Annotation	Stephalonine B
Peak:m/z	Relative Intensity
56.55718	8.5
59.01384	20.4
61.98837	22.1
67.88778	8.5
68.03023	8.9
70.62521	11.9
70.62842	18.7
71.01391	18.3
75.64748	8.8
78.95891	11.3
89.02449	12.5
96.96007	12.8
96.96957	12.9
100.49430	9.4
110.79964	10.0
114.57620	10.5
137.06046	12.6
152.02583	9.3
154.01482	23.4
160.04025	11.2
165.58739	9.5
191.05646	18.9
205.27899	10.8
227.06473	10.9
256.10715	18.7
282.04694	10.6
351.55109	11.4
393.05774	10.6
446.12299	17.4
506.12042	17.8
506.21655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.3
57.03451	3.7
57.10526	1.7
59.01381	100.0
61.98831	21.7
71.01391	24.5
73.02948	10.7
75.00873	2.8
83.01400	2.8
85.02956	7.3
87.00853	2.2
89.02448	24.4
93.03510	1.9
96.95975	1.8
99.00871	5.0
101.02439	19.3
102.45343	1.9
113.02467	9.6
119.03503	5.4
121.02944	4.6
122.03751	3.6
129.01881	2.1
131.03494	5.2
134.03757	2.1
135.04555	2.0
149.04555	14.7
152.03531	34.1
152.04701	3.0
160.03899	2.3
161.04523	4.9
165.07880	1.7
175.03961	4.2
179.05618	2.9
180.10274	4.4
191.05652	2.8
193.05127	2.5
272.02716	2.8
394.01315	2.3
405.17731	3.9
463.21719	21.0
506.10260	3.7
506.30093	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	506.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60074	4.5
61.98839	7.3
72.20732	4.3
80.46902	3.6
98.22737	6.2
108.51432	3.3
109.37666	3.9
157.87340	3.5
212.99014	3.6
227.20175	100.0
235.08287	8.3
253.09303	19.2
276.77887	3.7
277.21881	5.7
278.22043	19.7
279.23111	4.4
329.44293	5.2
408.23370	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	507.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01389	18.2
61.98837	2.9
63.14594	0.5
69.10581	1.0
69.10991	2.4
71.01394	9.4
73.02943	0.9
78.95911	1.9
83.01418	0.6
85.02958	2.2
89.02454	6.4
95.01380	0.9
98.22701	1.2
99.00877	0.6
101.02453	6.6
113.02454	3.6
119.03496	2.3
146.03690	1.0
158.03784	0.6
159.08154	0.7
161.04544	1.2
172.05322	1.5
173.06065	1.7
174.03246	1.6
174.06950	0.8
175.07599	0.9
179.05719	0.8
186.06886	1.0
187.04018	1.6
187.07700	3.6
199.01619	1.1
200.04747	1.5
200.92412	0.5
201.05603	7.8
201.09232	2.5
202.06387	5.1
203.07150	1.0
227.01015	1.0
229.08702	12.3
230.09500	14.5
232.02896	0.9
236.02110	0.7
244.90302	0.5
245.03340	0.9
260.02390	1.1
273.03055	1.1
274.03714	0.6
275.04651	1.2
276.05460	0.9
287.04541	1.1
288.01819	3.6
288.05219	1.1
289.02628	1.7
290.03555	0.7
292.01291	0.7
292.19754	0.7
301.02545	1.1
301.94278	0.6
302.03452	0.8
303.04132	1.1
304.01517	0.7
304.04877	1.8
306.02869	0.6
309.20660	0.8
311.02332	1.0
316.01215	4.8
316.04587	0.9
317.02133	2.5
318.02878	2.2
319.03680	1.0
320.04498	1.6
331.03693	2.0
332.04401	3.5
336.03775	0.6
344.00833	4.5
345.01590	7.6
346.02295	1.9
347.03104	1.0
348.03680	1.5
357.01471	1.7
359.02881	2.1
360.03809	4.3
361.04654	1.2
372.00296	4.8
373.01074	5.8
374.01895	1.3
376.03241	3.2
377.04263	1.5
385.09570	0.6
387.02634	1.4
388.03503	3.5
389.04343	1.0
399.99551	5.1
401.00418	2.8
402.01218	1.3
404.02820	11.2
405.03580	3.0
409.14914	2.4
410.15869	7.2
416.02933	14.3
417.03406	1.6
418.00586	6.2
419.00848	0.7
419.05920	0.8
422.04385	0.9
427.99234	1.6
432.02307	3.3
433.03082	2.0
436.05374	2.0
443.01569	0.9
444.02115	1.4
446.00085	3.3
447.04822	0.9
448.05487	3.9
461.02322	1.2
464.04913	2.7
475.04272	3.6
476.04904	6.0
479.07309	2.2
492.04468	0.7
507.06845	100.0
508.07263	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	507.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01385	6.7
59.20121	0.4
61.98832	1.0
69.28558	2.4
71.01389	4.7
73.02952	1.8
85.02966	2.1
87.00901	0.5
89.02456	3.7
95.03783	0.9
96.04568	0.4
96.08246	0.6
99.00899	2.3
99.04517	0.9
99.23849	0.5
101.02449	2.5
102.98631	0.5
104.05093	0.8
106.06657	1.2
113.02445	1.8
119.03526	0.4
122.06149	1.7
124.07690	7.2
125.02481	0.6
131.03546	0.7
132.04573	22.7
133.05354	23.6
134.06168	3.6
148.04045	0.8
149.02480	0.9
149.04555	0.8
150.05684	0.7
160.04080	1.0
161.04561	1.0
165.01999	0.8
165.04318	5.4
165.05547	0.4
166.02739	0.7
176.03601	1.2
176.07176	0.5
177.04315	5.6
178.05128	2.3
180.04260	0.6
181.05110	1.2
186.09229	2.6
191.05632	0.6
195.06635	0.9
197.02098	0.5
198.09380	0.5
209.03349	2.2
212.05879	0.5
213.01547	0.8
213.06693	1.3
214.12428	3.2
215.11880	4.4
225.07823	0.5
226.07616	0.9
227.08272	0.5
228.05626	0.5
229.09831	1.6
240.10336	1.8
241.09880	2.7
255.11374	1.3
257.10275	0.9
257.12985	19.2
272.48526	0.4
283.04956	1.0
283.10916	9.4
301.11969	8.6
312.10046	0.5
315.12500	1.1
327.09464	0.7
327.12701	0.8
345.10950	100.0
346.11237	4.7
387.12225	0.7
507.10706	4.1
507.17184	8.7
507.24142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66691	0.6
57.03442	0.8
58.22171	0.6
59.01387	7.0
61.35325	0.7
61.98840	1.5
65.62533	0.6
65.85921	0.6
69.12560	5.0
71.01386	4.0
73.02962	1.0
78.14535	0.7
85.02970	1.6
89.02450	3.6
95.03764	1.1
96.08175	0.8
99.00919	1.0
101.02457	2.6
106.06630	1.5
113.02441	1.4
121.10290	0.8
122.06129	1.3
124.07693	6.8
132.04567	21.8
133.05350	25.2
134.06161	3.8
137.32637	0.6
148.03992	0.8
150.05595	1.4
160.04079	1.0
161.04523	1.1
165.04317	4.7
176.03535	1.2
176.07249	1.3
177.04317	4.9
178.05045	2.1
184.07617	0.7
186.09253	2.0
191.05649	0.9
198.09261	0.7
209.03239	1.6
213.06654	0.8
214.12338	3.1
215.11874	4.2
226.07472	1.3
227.08327	1.0
229.10002	3.2
241.09842	2.9
255.11424	1.1
257.12982	19.0
258.13315	0.8
283.10867	8.7
301.11945	9.5
312.10068	0.8
315.12408	1.8
327.12469	1.8
345.10919	100.0
346.11343	4.1
432.22247	0.8
507.16586	7.9
507.23215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98804	2.5
66.60871	1.0
67.79189	1.1
69.77809	4.4
70.64586	1.4
71.01387	25.3
78.95919	1.3
83.01408	2.6
85.02948	6.5
87.00877	2.7
89.02453	28.6
95.01417	1.3
99.00863	2.1
101.02447	19.1
113.02459	9.8
115.39406	1.3
119.03514	9.2
131.03539	1.7
143.03564	1.8
149.04483	1.5
155.04950	1.3
158.03705	3.5
158.07277	1.6
159.04526	2.4
159.08145	3.3
161.04530	1.1
172.05324	6.3
173.06123	9.9
173.09750	3.4
174.03232	1.9
174.06857	4.3
175.07632	2.5
179.05580	2.6
185.06119	1.3
186.06815	4.1
187.04059	7.3
187.07637	14.7
188.04967	1.6
200.04721	4.9
201.05579	38.4
201.09204	14.8
202.06361	20.9
203.07106	5.1
211.07547	1.4
214.06262	1.9
215.07123	1.8
228.07880	3.4
229.08704	56.4
230.09494	74.7
231.10027	4.4
233.59932	1.3
269.47363	1.2
291.19601	1.8
409.14966	10.5
410.15875	41.4
411.16116	3.5
452.65475	1.3
468.46893	1.6
507.21848	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00541	1.1
59.01388	100.0
61.98831	4.3
62.61316	1.2
69.06012	1.1
70.51682	2.5
71.01393	27.5
73.02980	2.1
82.71573	1.2
83.01396	2.7
83.82532	1.2
85.02988	6.4
87.00873	1.8
89.02454	26.2
95.01368	1.6
99.00879	1.6
101.02451	17.5
109.65759	1.2
113.02477	13.3
116.05042	1.1
119.03528	9.7
131.03444	1.4
145.06586	1.5
149.04518	1.5
158.03741	4.7
159.04495	2.9
159.08157	2.4
161.04515	2.1
163.83153	1.5
172.05298	4.8
173.06117	9.7
173.09669	2.9
174.03279	2.5
174.06880	3.6
175.04015	1.2
175.07660	2.1
179.05643	3.7
185.05922	1.5
186.06877	4.4
187.04024	5.6
187.07649	15.3
196.89369	1.2
200.04800	4.6
201.05600	36.0
201.09268	11.7
202.06386	19.2
203.07153	4.6
215.07121	3.3
228.07965	1.8
229.08714	48.2
230.09494	70.5
231.09976	3.6
248.24818	1.2
288.79031	1.2
291.19766	1.9
307.19141	1.6
409.15042	7.1
410.15887	38.0
411.16177	3.8
507.33859	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70303	4.3
59.01390	8.8
61.98816	12.2
71.01421	4.9
96.49905	4.2
96.95979	4.9
101.02478	6.5
111.08142	4.8
197.11813	8.2
203.23563	5.1
219.45035	4.9
238.80498	4.6
291.19791	25.0
309.20740	100.0
310.21094	9.4
311.22366	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	507.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64610	2.9
59.01384	7.1
59.06572	3.0
70.33869	3.1
71.01395	3.2
78.95890	5.1
81.15335	3.0
84.92072	3.4
96.96044	3.6
101.02433	3.1
101.82659	3.2
107.34800	3.2
116.55466	2.9
117.22924	3.0
146.62486	3.1
171.10243	3.5
197.02136	4.2
218.63916	3.0
230.09651	4.3
291.19678	32.3
301.69275	3.1
309.20740	100.0
347.80783	3.7
507.24149	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	507.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84983	3.3
59.01370	6.6
60.27472	3.0
61.98834	5.5
69.34126	15.5
74.48255	4.0
82.16171	3.3
110.60433	4.3
181.58197	3.6
262.43738	3.2
291.19708	13.7
309.15414	3.9
309.20749	100.0
310.20914	8.0
318.73071	3.7
323.10995	3.7
406.03076	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12739	7.6
57.03442	8.9
58.42366	7.5
59.01390	77.8
62.44040	8.7
62.89200	9.6
66.12974	8.2
69.09901	57.0
71.01385	25.3
73.02940	15.0
85.02943	11.6
89.02455	30.2
98.22716	17.6
101.02449	100.0
123.04571	10.9
135.04459	11.1
136.39429	10.2
149.02525	10.5
161.04558	9.2
229.74097	8.7
256.10498	9.1
507.13928	14.0
507.20551	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	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98825	0.7
63.96026	0.4
69.04136	0.9
69.04541	2.9
71.01379	3.6
73.02967	0.8
83.01463	0.5
85.02979	1.3
89.02462	1.9
94.77829	0.5
95.01458	0.5
101.02437	2.7
113.02512	1.2
117.98519	0.5
119.03483	0.8
138.41774	0.5
148.09236	0.5
161.04567	0.5
162.96573	0.5
187.04092	0.8
188.63918	0.6
201.05624	1.5
202.06499	0.6
229.08688	3.0
230.09476	3.9
247.85567	0.5
291.19760	2.6
293.21677	0.6
296.74002	0.5
309.20856	4.8
311.22397	0.7
356.67761	0.6
410.15945	2.5
465.28784	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	507.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01728	0.6
61.98838	0.9
62.86843	0.3
71.01391	3.4
73.02966	0.7
74.31106	0.3
75.23388	0.3
75.90469	0.3
78.95461	0.3
81.37820	0.3
83.01443	0.4
85.02981	1.5
87.00889	0.4
89.02456	2.7
101.02434	2.2
103.29051	0.3
113.02502	1.4
119.03536	1.2
145.06714	0.3
158.66306	0.3
159.08298	0.4
161.04620	0.8
171.10330	0.4
172.05380	0.6
173.06071	0.5
173.09779	0.4
186.06996	0.3
187.04056	0.6
187.07608	1.4
201.05591	2.7
201.09340	0.8
202.06442	1.2
211.13419	0.4
227.52129	0.3
229.08705	5.2
229.36836	0.3
230.09471	5.7
237.58893	0.3
281.65021	0.4
291.19571	1.9
309.20996	0.4
311.22400	0.5
364.42029	0.3
407.96078	0.3
409.15027	0.7
410.15817	3.1
465.29117	0.8
507.30325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37311	0.5
61.98835	100.0
69.07020	3.6
76.10435	0.6
78.95895	3.1
96.36339	0.5
96.96045	0.7
123.44350	0.6
135.91241	0.7
152.99631	3.3
195.30537	0.5
274.91699	0.6
279.23309	16.3
279.26270	1.0
280.23676	0.8
350.49527	0.9
507.27435	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	507.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94715	0.4
55.01883	3.9
57.03453	4.1
59.01384	32.6
59.15662	0.3
60.01720	0.5
61.98818	1.3
64.90450	0.4
67.01899	0.5
68.05661	0.4
68.99830	0.6
69.03448	0.7
71.01385	37.5
71.05058	0.5
71.45129	0.3
72.99316	1.3
73.02952	18.1
75.00868	0.8
75.46812	0.3
78.95946	0.4
83.01011	0.3
83.01390	9.4
85.02956	26.6
86.00110	0.8
87.00889	3.3
89.02452	6.8
89.25783	0.3
90.18866	0.3
95.01390	4.3
97.02966	1.4
99.00893	5.4
99.08224	0.4
101.02448	34.3
105.47829	0.3
109.06651	0.4
111.00891	5.4
113.02457	16.0
119.03510	1.6
125.02448	1.5
128.89267	1.7
128.99245	0.9
129.01949	1.4
131.01379	0.4
131.03476	0.5
141.01990	0.6
143.03532	1.4
143.10774	1.5
146.03746	0.4
148.00438	0.4
149.04515	0.9
159.02991	3.5
161.03230	0.6
161.04567	12.1
167.06367	0.4
168.06613	0.6
169.06029	6.7
172.05310	0.9
173.06088	1.0
173.09648	0.6
175.07567	0.5
179.05653	0.7
180.03012	0.4
187.04037	0.9
187.07674	1.4
197.15477	1.3
200.04826	0.7
201.05594	3.2
201.09242	1.3
202.06343	2.5
203.07175	0.5
206.68622	0.4
213.05083	2.5
222.04126	0.4
226.05205	0.4
229.08698	6.1
230.09476	5.1
231.09991	0.5
254.96158	0.4
271.04230	0.5
299.04480	0.5
299.25842	1.4
314.06747	0.7
345.30078	9.5
346.09174	0.8
346.30447	0.6
375.24097	0.9
409.15079	1.1
410.15784	2.6
411.16217	0.6
442.57632	0.4
507.35443	100.0
508.35739	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	508.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46163	0.5
59.01386	12.9
59.51260	0.5
60.84768	0.5
61.98834	5.7
64.68971	0.6
65.80260	0.4
66.22014	0.4
69.43844	0.7
69.44114	2.5
71.01384	7.9
71.76430	0.6
73.02947	2.1
75.02402	2.1
83.01412	0.7
85.02965	3.5
87.00880	0.8
87.04527	10.6
89.02454	5.1
95.01389	0.8
101.02470	5.2
103.01894	0.6
109.02974	4.9
111.00856	0.8
113.02471	3.5
119.01367	0.7
119.03500	1.2
121.02965	1.3
125.02501	0.8
131.01407	62.3
132.01724	1.0
137.02415	1.2
143.03525	0.8
146.02469	2.9
147.00920	2.2
149.04646	0.7
151.57349	0.5
154.43399	0.5
161.04562	1.7
172.05287	1.1
173.01183	1.5
173.06030	0.8
174.00601	1.2
174.01971	10.6
174.03259	0.9
175.00381	64.1
176.00732	1.4
187.03995	0.7
187.07632	2.2
188.07936	0.6
190.01408	1.2
191.02274	0.7
193.01460	5.1
201.05609	2.8
201.09222	0.9
202.06357	3.1
203.06758	0.8
221.23683	0.6
225.04256	1.2
229.08684	4.6
230.09425	6.1
231.09859	2.2
239.03548	0.6
253.03804	3.4
254.02235	1.9
255.02785	0.6
279.99942	1.4
280.02750	0.8
281.03326	11.0
282.01651	9.5
282.04364	0.7
293.08704	0.6
295.01147	0.8
297.03580	2.1
307.99652	1.8
311.02231	1.5
325.02301	4.6
326.03027	0.7
340.04645	37.0
341.05029	2.1
357.04874	0.9
366.02454	0.9
372.07269	100.0
373.07718	4.9
383.02924	3.6
398.05197	11.3
409.15466	0.7
410.15753	1.9
411.15955	1.2
421.20850	0.7
507.35422	1.8
508.09332	1.1
509.26285	1.3
520.97339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
61.98841	3.4
61.99082	0.7
67.43732	0.7
69.03466	8.3
69.72650	1.7
69.73028	1.6
71.01387	5.0
73.02905	1.4
73.94133	0.6
74.06442	0.7
79.01897	3.8
81.03432	1.9
85.02936	1.9
89.02415	1.7
97.02959	5.4
98.21869	0.8
101.02431	2.0
107.01388	10.4
108.02188	6.3
109.02259	0.9
109.02967	17.5
113.02455	1.6
121.02955	1.0
122.02446	1.0
125.02455	9.1
125.71109	0.7
133.01701	12.0
134.02502	11.3
134.99925	1.5
135.00903	21.6
136.04070	4.4
148.00438	6.9
148.04024	0.9
151.04001	1.3
152.03511	1.2
161.04492	0.8
163.03986	1.9
165.00623	2.7
180.01497	1.4
180.03023	18.6
181.03697	1.2
194.04529	1.6
195.05383	24.7
196.05942	1.0
200.03500	2.9
203.07109	1.0
210.07724	2.1
211.02751	2.9
212.03488	1.0
225.04242	0.8
227.02235	1.7
228.02980	5.4
239.02196	2.0
240.03023	2.8
241.01488	0.8
254.04570	4.3
255.01648	5.0
255.05421	2.0
256.02469	1.0
257.03311	1.3
264.69830	0.9
270.04144	1.5
271.04797	1.5
272.05685	1.1
283.01257	18.1
284.02036	2.2
287.08057	1.7
288.08536	0.9
298.03583	29.3
299.04367	14.2
300.04892	1.5
312.05231	1.6
312.08691	1.1
313.05936	33.2
314.06723	50.1
315.03885	6.3
315.07074	1.7
316.04431	1.2
330.06223	17.6
331.07010	6.6
332.07782	1.4
345.08560	43.7
346.09320	100.0
347.09662	4.6
476.11969	33.5
477.12369	1.8
480.23489	0.9
508.14755	31.4
508.21634	1.4
509.15256	2.8
533.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
61.98841	3.4
61.99082	0.7
67.43732	0.7
69.03466	8.3
69.72650	1.7
69.73028	1.6
71.01387	5.0
73.02905	1.4
73.94133	0.6
74.06442	0.7
79.01897	3.8
81.03432	1.9
85.02936	1.9
89.02415	1.7
97.02959	5.4
98.21869	0.8
101.02431	2.0
107.01388	10.4
108.02188	6.3
109.02259	0.9
109.02967	17.5
113.02455	1.6
121.02955	1.0
122.02446	1.0
125.02455	9.1
125.71109	0.7
133.01701	12.0
134.02502	11.3
134.99925	1.5
135.00903	21.6
136.04070	4.4
148.00438	6.9
148.04024	0.9
151.04001	1.3
152.03511	1.2
161.04492	0.8
163.03986	1.9
165.00623	2.7
180.01497	1.4
180.03023	18.6
181.03697	1.2
194.04529	1.6
195.05383	24.7
196.05942	1.0
200.03500	2.9
203.07109	1.0
210.07724	2.1
211.02751	2.9
212.03488	1.0
225.04242	0.8
227.02235	1.7
228.02980	5.4
239.02196	2.0
240.03023	2.8
241.01488	0.8
254.04570	4.3
255.01648	5.0
255.05421	2.0
256.02469	1.0
257.03311	1.3
264.69830	0.9
270.04144	1.5
271.04797	1.5
272.05685	1.1
283.01257	18.1
284.02036	2.2
287.08057	1.7
288.08536	0.9
298.03583	29.3
299.04367	14.2
300.04892	1.5
312.05231	1.6
312.08691	1.1
313.05936	33.2
314.06723	50.1
315.03885	6.3
315.07074	1.7
316.04431	1.2
330.06223	17.6
331.07010	6.6
332.07782	1.4
345.08560	43.7
346.09320	100.0
347.09662	4.6
476.11969	33.5
477.12369	1.8
480.23489	0.9
508.14755	31.4
508.21634	1.4
509.15256	2.8
533.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
61.98841	3.4
61.99082	0.7
67.43732	0.7
69.03466	8.3
69.72650	1.7
69.73028	1.6
71.01387	5.0
73.02905	1.4
73.94133	0.6
74.06442	0.7
79.01897	3.8
81.03432	1.9
85.02936	1.9
89.02415	1.7
97.02959	5.4
98.21869	0.8
101.02431	2.0
107.01388	10.4
108.02188	6.3
109.02259	0.9
109.02967	17.5
113.02455	1.6
121.02955	1.0
122.02446	1.0
125.02455	9.1
125.71109	0.7
133.01701	12.0
134.02502	11.3
134.99925	1.5
135.00903	21.6
136.04070	4.4
148.00438	6.9
148.04024	0.9
151.04001	1.3
152.03511	1.2
161.04492	0.8
163.03986	1.9
165.00623	2.7
180.01497	1.4
180.03023	18.6
181.03697	1.2
194.04529	1.6
195.05383	24.7
196.05942	1.0
200.03500	2.9
203.07109	1.0
210.07724	2.1
211.02751	2.9
212.03488	1.0
225.04242	0.8
227.02235	1.7
228.02980	5.4
239.02196	2.0
240.03023	2.8
241.01488	0.8
254.04570	4.3
255.01648	5.0
255.05421	2.0
256.02469	1.0
257.03311	1.3
264.69830	0.9
270.04144	1.5
271.04797	1.5
272.05685	1.1
283.01257	18.1
284.02036	2.2
287.08057	1.7
288.08536	0.9
298.03583	29.3
299.04367	14.2
300.04892	1.5
312.05231	1.6
312.08691	1.1
313.05936	33.2
314.06723	50.1
315.03885	6.3
315.07074	1.7
316.04431	1.2
330.06223	17.6
331.07010	6.6
332.07782	1.4
345.08560	43.7
346.09320	100.0
347.09662	4.6
476.11969	33.5
477.12369	1.8
480.23489	0.9
508.14755	31.4
508.21634	1.4
509.15256	2.8
533.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01377	3.3
61.98832	1.3
69.03205	0.6
69.03471	6.6
69.61570	1.0
69.61947	1.5
71.01399	1.4
76.37077	0.6
79.01898	4.7
85.02958	0.9
89.02460	1.6
97.02933	3.3
99.04556	0.6
101.02455	1.9
107.01401	8.2
108.02182	3.8
109.02943	2.9
121.02940	3.0
122.02521	1.0
123.04591	1.2
125.02466	5.4
133.01711	7.6
134.02493	33.6
135.00899	18.2
135.04536	1.4
136.04053	2.9
148.00412	8.0
151.04021	5.8
152.03532	1.5
153.02023	0.9
163.04045	7.0
165.00679	1.5
177.01944	5.1
180.03040	13.2
181.04997	0.6
184.04007	0.9
188.45886	0.6
194.04567	1.8
195.05400	10.8
199.02771	0.7
200.03499	2.8
207.02975	1.2
211.02682	3.8
212.03531	1.4
213.01880	0.9
223.63176	0.8
226.05109	0.7
227.02252	2.2
228.03055	5.8
239.02272	2.9
240.02989	3.6
254.04591	3.2
255.01698	4.9
255.05278	1.4
256.02786	1.2
257.03467	1.4
268.02542	0.7
270.04077	2.3
271.04971	1.5
271.08231	1.3
273.06497	1.0
283.01263	13.2
284.02054	4.1
284.05002	0.7
287.04614	0.8
296.02039	1.4
297.06277	1.4
298.03595	23.1
299.04340	15.2
300.04944	0.6
311.04572	0.8
313.05942	24.7
314.06708	46.3
315.03885	10.4
315.07117	1.5
316.04556	1.9
326.06567	2.9
330.06201	22.2
331.06952	6.2
332.07709	3.6
342.09467	0.8
345.08551	100.0
346.09277	54.0
347.09674	2.6
356.07477	0.6
358.09399	3.5
465.23233	0.8
469.81586	0.7
476.11780	2.8
508.15033	5.1
508.28818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54201	1.1
55.01891	1.5
57.03463	1.5
59.01385	23.7
61.98840	6.2
69.03452	2.8
71.01390	17.1
72.99289	1.1
73.02964	6.0
83.01394	2.9
85.02963	7.6
87.00885	2.0
87.04524	20.4
89.02450	7.9
97.02950	1.3
99.00938	1.3
101.02470	15.6
107.01408	3.1
111.00893	2.6
113.02476	5.5
119.03529	1.8
120.00990	1.2
122.02511	1.9
125.02483	2.8
133.01697	8.6
134.02563	1.2
135.00929	4.9
136.04086	7.8
148.00424	13.4
148.04074	3.4
149.01186	1.7
151.02818	0.9
152.03558	3.5
155.04741	0.9
158.53378	1.0
160.53262	1.1
161.04601	2.7
165.00652	5.9
166.01463	3.8
169.06078	3.7
170.06430	3.6
172.05431	1.4
173.06007	1.6
180.03049	39.5
181.03830	17.5
182.04140	1.5
184.04118	1.7
187.07571	1.9
188.07956	1.9
195.05405	29.8
196.06160	3.8
201.05597	3.4
202.06259	4.7
203.06845	2.0
204.07513	1.1
211.02734	2.4
212.03571	2.2
213.04903	0.9
226.05338	1.4
228.03009	1.6
229.08685	7.6
230.09320	10.2
231.09875	4.7
239.02325	2.4
240.03091	2.2
241.03807	3.6
243.59229	1.1
254.04640	1.7
255.01736	3.1
256.02673	2.2
271.04913	5.0
283.01224	11.6
284.02151	5.0
285.02979	1.4
298.03625	23.2
299.04361	47.7
300.05081	13.4
311.02570	1.2
313.05923	6.0
314.06732	69.4
315.04010	2.3
315.07199	2.5
330.06271	16.7
331.06955	12.3
345.08554	10.7
345.30286	3.2
346.09329	100.0
347.09695	3.8
410.15820	3.0
411.16324	3.3
461.09988	2.1
493.12662	5.7
507.35568	17.1
508.14804	34.7
508.35764	8.8
509.15619	1.5
509.25543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44090	0.4
57.03474	0.5
59.01386	5.4
60.01705	0.6
60.33770	0.4
60.37815	0.6
61.98832	3.2
67.46262	0.5
69.03465	0.8
70.86128	0.4
71.01378	1.6
75.00864	0.6
77.14181	0.4
85.02935	0.7
86.88342	0.4
87.11628	0.4
99.12543	0.6
101.02448	1.2
104.01409	0.6
107.01392	0.9
113.02464	0.5
120.00953	0.8
120.70450	0.5
122.02503	0.6
123.00903	0.8
125.02453	0.7
133.01709	31.2
134.02234	0.4
135.00909	1.3
148.00426	4.4
148.04062	22.2
149.01202	2.8
162.02068	0.7
162.18340	0.5
165.54561	0.6
170.12849	0.6
180.03038	100.0
181.03477	2.4
182.67108	0.5
183.31808	0.5
195.05380	3.3
196.06126	1.4
204.51140	0.4
212.03552	2.4
213.01871	1.3
226.05209	0.8
239.02272	1.6
240.03052	6.1
241.01389	2.9
241.03503	0.6
254.04582	1.4
255.05392	4.9
256.03876	2.7
270.04657	0.5
270.07779	2.1
271.04837	0.5
283.01328	0.7
283.41104	0.5
284.02124	4.1
298.03638	1.4
299.04361	43.4
300.04962	3.3
309.12662	0.4
313.05844	2.0
314.06735	28.5
315.03851	3.7
315.07202	1.2
316.04474	0.8
328.08276	1.5
330.02139	0.7
330.06213	22.9
331.06848	4.7
345.08533	12.3
346.09323	91.7
347.09720	4.8
410.57605	0.5
447.25912	0.6
465.27094	1.3
466.27356	1.3
493.12405	3.2
507.28125	2.8
508.14670	32.0
508.27826	3.9
509.14917	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	508.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01385	11.0
60.01706	1.5
60.73737	0.8
61.98828	3.0
64.53268	0.8
65.99855	1.7
66.15661	0.8
69.03445	1.1
69.83881	2.6
70.23749	0.7
71.01385	9.0
72.97711	0.7
73.02956	2.8
77.70762	0.7
78.97147	0.7
79.19553	0.7
83.01364	0.9
85.02956	3.8
89.02459	4.3
90.02788	0.8
98.22572	1.4
99.00898	1.1
101.02471	6.9
102.02783	1.4
103.02889	1.0
111.00867	1.3
113.02466	2.5
122.02528	2.1
130.26897	0.8
131.03506	1.7
132.03838	0.8
133.01711	64.6
135.00861	1.8
148.00397	1.7
148.04062	83.8
149.01166	4.9
149.04453	2.7
160.04056	1.5
161.04584	1.5
173.79538	0.8
180.03040	46.1
181.03581	2.2
195.05377	1.0
212.03612	5.1
213.01982	3.7
213.03877	0.9
238.05133	1.0
240.03052	8.6
241.01477	7.4
255.05437	13.9
256.03583	1.2
258.04135	2.5
270.07800	3.4
273.06461	5.3
284.02036	6.7
288.08820	6.5
299.04382	24.1
300.05185	0.9
311.02115	1.3
314.06744	69.2
315.06949	3.8
316.04608	16.8
316.08115	1.2
317.05035	1.2
331.06973	16.9
331.10803	1.3
332.07495	1.1
346.09332	100.0
347.09695	4.1
374.22772	1.5
375.22955	2.0
376.23206	1.7
476.12207	1.2
507.27014	6.7
508.27069	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	508.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51210	1.4
56.60603	1.5
57.03435	1.9
59.01383	15.3
61.98836	18.5
69.03473	3.7
69.11217	5.5
69.11617	4.3
71.01389	6.1
75.37012	1.4
89.02451	2.1
98.22694	2.8
101.02442	3.1
109.02921	2.5
122.02479	3.8
125.02460	2.5
133.01704	35.1
135.00893	3.9
136.04039	4.4
148.00421	6.0
148.04054	7.0
152.03456	1.7
154.74884	1.7
158.71275	1.5
169.01991	1.5
180.03056	22.9
181.03793	4.5
195.05374	14.7
200.38142	1.5
212.03526	1.6
213.01910	3.0
240.03030	10.9
241.01379	2.9
258.04123	1.8
265.93982	1.6
273.06589	2.8
284.02060	30.9
299.04382	100.0
300.04733	6.2
314.06741	82.0
315.07159	3.4
316.04440	7.7
331.07007	34.4
332.07620	7.2
346.09332	97.4
347.09479	5.6
392.45212	1.5
476.12564	2.4
485.32581	1.6
508.09079	2.7
508.15717	2.3
508.28735	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	508.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80621	4.3
59.01385	79.6
61.98845	20.8
71.01389	52.2
73.02943	18.5
84.76407	3.9
85.02959	6.5
89.01938	8.0
89.02453	100.0
99.00889	31.8
99.04504	5.0
101.02450	37.4
112.25970	4.8
113.02424	7.2
125.02489	6.1
131.03532	13.5
149.04582	79.4
160.04176	5.6
161.04570	5.5
166.77374	3.9
191.05617	15.0
311.02237	14.4
458.13699	4.2
508.09262	13.5
508.29300	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	509.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64897	1.5
55.71028	1.6
59.01379	3.7
61.98551	1.7
61.98815	8.0
69.03466	2.8
69.70798	5.0
71.01397	2.8
97.02967	4.0
98.20862	1.4
109.02964	46.7
111.00925	2.0
114.05608	3.8
135.04533	100.0
136.04868	1.8
143.05022	6.0
146.06161	3.7
147.04521	3.1
148.05287	5.0
149.06096	52.4
151.04044	3.4
156.06721	2.6
159.04529	4.3
161.02585	2.0
161.06105	23.5
162.03198	3.7
163.04007	3.1
163.07655	4.0
165.05554	4.4
170.08263	2.0
171.04533	8.6
172.05278	1.7
173.06099	2.4
174.03166	7.8
175.03963	1.9
177.05605	21.0
179.03534	7.9
189.05585	79.0
190.05875	2.8
191.03555	4.4
191.07230	3.2
203.08372	2.8
207.06638	69.6
208.06924	2.8
219.06642	3.7
221.04561	36.5
231.06648	6.0
233.04338	1.8
235.06186	7.5
239.05663	6.8
249.07692	6.3
251.05597	7.5
271.08118	3.3
293.06833	1.7
297.09845	5.6
311.07806	28.3
311.11365	4.7
312.07910	2.6
347.58105	1.7
369.11954	10.5
383.09821	8.4
397.11542	2.4
401.10840	7.7
411.13107	3.0
413.05563	3.6
413.10962	69.2
414.11215	4.2
415.12411	6.0
443.12097	11.7
455.12112	4.7
473.13025	41.5
474.13312	2.7
509.21811	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37201	1.4
57.03457	64.5
59.01386	100.0
61.66551	1.2
61.98841	9.5
71.01387	43.0
72.99295	2.0
73.02957	45.5
79.05547	1.6
81.03456	2.3
83.01385	9.9
85.02975	9.3
86.54421	1.3
87.00884	4.0
89.02457	37.2
95.01398	2.0
95.05087	1.4
97.06618	3.0
98.31962	1.3
99.00899	1.9
99.04533	48.3
99.05183	2.3
101.02458	60.9
102.75028	1.5
104.98209	1.7
109.06644	1.3
113.02463	25.0
113.06120	2.9
119.03509	15.1
123.04543	19.4
125.02466	29.5
127.61445	1.4
131.03534	5.7
141.05627	3.6
143.03525	9.6
149.04550	11.2
153.05582	3.2
160.04079	1.8
161.04604	21.6
165.05669	1.4
167.08221	1.3
179.05626	32.2
191.05623	2.2
203.05638	2.2
221.06714	4.5
261.09927	1.9
272.68619	1.3
282.40067	1.4
285.04993	1.7
335.64050	1.4
347.17197	1.8
365.18155	7.0
377.10779	1.6
390.04416	1.4
407.19302	1.6
449.20349	2.4
465.23993	1.9
491.78635	1.5
509.22311	34.0
510.22751	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	509.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44041	49.6
59.37004	57.0
61.98855	100.0
62.03964	43.4
70.64595	51.3
70.64924	48.3
70.85814	38.9
99.73981	52.9
337.78806	55.5
400.86377	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03453	1.2
58.00594	0.4
59.01385	19.6
61.98829	1.6
67.01894	0.2
69.03462	0.6
70.84322	0.2
71.01390	16.8
71.04991	0.2
71.63419	0.2
72.99316	0.7
73.02952	4.4
75.00904	0.2
81.03452	0.4
83.01389	2.9
85.02959	6.0
86.03294	0.2
87.00894	1.2
87.04523	100.0
88.04860	1.1
89.02455	11.5
90.18050	0.2
95.01396	0.3
97.02962	1.3
99.00899	1.2
99.04530	0.3
101.02456	10.5
102.02720	0.2
109.02941	0.2
111.00893	2.4
113.02456	4.6
115.04022	0.7
119.03522	0.5
125.02453	2.1
131.01422	0.5
131.03516	6.2
132.01743	0.3
133.35713	0.2
137.02451	0.2
143.03537	1.2
145.12396	0.3
149.03366	0.2
149.04564	3.6
149.05672	0.3
159.02922	0.3
161.04607	1.4
167.03537	0.2
173.04608	0.3
175.00397	0.7
176.00784	0.4
191.05632	0.6
205.07144	0.4
215.05656	0.5
233.06715	2.1
275.07654	0.4
283.01920	0.3
289.16547	0.9
293.08841	0.5
307.17679	0.5
340.04602	0.3
341.04932	0.4
372.07303	0.6
373.07626	1.3
377.21786	2.4
421.20828	4.1
422.20499	0.2
439.22061	1.0
449.24054	0.2
509.26028	10.8
510.26019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.01620	0.2
57.03442	0.6
59.01384	7.8
60.97751	0.2
61.98824	0.7
62.74525	0.2
69.03461	0.5
71.01384	11.0
72.99279	0.2
73.02947	5.5
74.47162	0.2
75.00874	0.5
78.95904	0.2
81.03458	0.2
83.01387	1.7
85.02953	4.5
87.00867	1.0
87.04518	100.0
88.04858	1.1
89.02447	3.8
89.03001	0.2
95.01410	0.8
97.02937	1.4
99.00882	2.9
99.04533	0.3
100.07148	0.2
101.02444	8.0
101.65066	0.2
111.00889	0.2
113.02456	3.5
115.04057	1.1
125.02476	1.6
125.19259	0.2
131.03551	1.1
137.68755	0.2
143.03468	0.6
145.12418	0.4
149.04526	0.5
159.03012	0.6
161.04558	2.5
191.05600	0.4
205.07167	0.3
209.11859	0.2
233.06625	1.1
289.16556	1.1
293.08807	0.5
307.17642	0.6
318.02963	0.2
374.01581	0.2
377.21808	4.2
421.20825	4.0
439.22018	0.9
449.24170	0.2
477.05792	0.8
489.76746	0.2
490.14648	0.2
509.26028	27.5
510.12866	0.2
510.26254	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26107	2.9
55.48557	2.7
59.01388	8.3
60.47977	2.4
61.98840	3.8
71.01415	2.9
81.03479	5.1
83.05048	14.2
93.03475	8.2
95.48681	2.6
97.02954	6.6
109.06622	19.8
109.07259	3.5
111.04519	9.3
125.09726	7.9
135.08163	4.8
161.09779	3.0
161.18092	2.6
162.83920	8.5
163.11298	20.7
164.83650	3.2
171.10291	27.5
181.12361	6.1
185.11876	8.5
207.10249	42.0
208.20815	3.3
209.11853	100.0
223.13466	3.3
225.11406	21.7
227.12923	16.2
231.10307	4.4
235.13248	3.3
249.11388	3.6
263.12939	3.8
281.13831	4.2
299.14996	10.6
319.15421	3.2
337.16669	3.7
394.33755	3.0
395.25269	2.9
399.21671	6.7
465.24979	7.6
473.25525	18.9
491.26672	20.6
509.27539	51.2
514.78607	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	510.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52793	1.3
51.98096	1.3
53.07263	1.3
59.01382	23.8
60.01690	1.6
61.98834	28.3
71.01389	5.4
73.02943	3.1
75.39339	1.6
83.81459	1.4
85.02949	2.0
87.04513	5.8
89.02433	1.9
95.42681	1.4
96.22080	1.7
101.02425	3.0
106.00649	1.3
113.02441	2.2
131.10486	1.3
149.99487	1.9
152.87190	1.3
161.04532	1.4
173.01205	5.4
174.01942	1.6
201.00677	3.8
202.01512	2.1
217.06548	1.4
247.02908	1.5
251.02213	3.8
264.02930	1.6
265.03851	10.8
267.98898	3.5
268.99615	3.3
270.00406	8.3
279.01758	6.0
280.02203	1.6
281.03271	5.6
292.02463	2.6
293.03506	1.6
296.99020	2.2
301.04822	1.9
303.01569	1.6
307.01251	16.5
308.01733	2.3
309.02759	14.4
316.62592	1.5
320.01917	1.8
324.05063	2.5
331.01248	4.2
332.01855	2.1
333.02701	3.8
334.03467	3.1
335.00769	23.0
335.04449	2.3
336.01492	39.5
337.02295	100.0
338.02548	5.9
348.05115	2.0
350.03091	16.3
351.03738	9.2
352.04648	65.1
353.04904	3.2
359.00623	9.9
367.03293	4.6
377.25156	1.8
382.05719	19.8
391.03394	4.5
395.02939	3.5
406.05716	5.2
410.05167	10.8
450.04498	5.0
478.04269	21.7
479.04929	1.9
481.00021	1.9
482.07278	20.3
508.60855	1.7
509.30350	1.9
510.06760	56.9
510.12445	2.2
511.07120	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	510.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47269	0.7
56.51318	0.7
57.03439	1.4
59.01387	9.0
61.98834	5.7
62.70886	0.7
65.99849	0.8
69.03472	0.9
69.10137	4.5
71.01382	4.5
71.58618	0.7
73.02942	1.6
75.05840	0.8
81.03459	1.9
83.01392	0.8
85.02953	2.4
89.02448	3.6
95.00448	0.8
95.01399	6.3
96.40187	0.7
99.04543	0.8
101.02454	2.9
105.03509	0.7
107.01395	5.8
109.03001	1.1
113.02432	1.8
120.99659	0.8
121.02960	3.5
123.00866	3.3
123.04615	0.7
125.02446	6.3
133.02980	1.2
135.04509	0.8
137.02448	1.3
138.02072	0.7
148.00426	8.5
149.01166	4.0
149.02306	1.0
149.99603	52.5
150.01964	2.5
150.82458	0.7
151.00389	31.8
161.04515	1.2
167.03580	1.1
169.01427	3.1
180.03070	3.1
182.04599	2.1
228.03000	1.2
240.03220	1.0
252.79074	0.8
256.02542	2.4
257.00888	5.1
257.03378	2.0
272.05649	3.2
296.79852	0.8
300.01520	3.7
301.02682	0.7
313.05682	10.3
315.03812	1.2
316.04617	2.4
317.83173	0.8
332.04129	13.7
347.06479	15.8
348.07236	9.1
405.20166	0.9
420.49536	0.9
447.09433	1.1
467.24802	1.6
478.09668	2.2
495.10806	1.4
509.29718	1.8
510.12555	100.0
511.12888	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	510.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
61.98837	100.0
71.01383	1.2
71.42379	0.4
73.02957	0.8
83.37445	0.3
87.00903	0.3
89.02464	0.7
91.60789	0.2
101.02467	0.9
105.14674	0.3
108.15498	0.2
108.17161	0.3
113.02447	0.5
183.21222	0.3
270.00607	0.6
312.08636	0.4
331.01276	0.3
335.00833	0.3
336.01425	0.4
337.02289	0.3
359.00650	1.2
378.22226	0.4
391.03601	0.4
398.97626	0.3
401.19116	0.3
482.07391	2.0
510.07294	1.1
510.26169	1.2
511.18768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98833	100.0
62.40959	0.2
69.12372	0.2
69.17070	1.1
69.17488	0.6
104.35776	0.3
120.44308	0.3
127.37914	0.3
160.67239	0.2
161.47856	0.2
222.35158	0.3
231.96971	0.2
252.56424	0.3
508.41928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42649	0.2
54.79103	0.2
59.01376	0.2
59.71227	0.2
61.98835	100.0
69.24386	0.4
69.24789	0.6
75.10454	0.2
84.09998	0.2
84.47059	0.2
95.15993	0.2
98.22575	0.5
111.67891	0.2
158.28102	0.2
198.71745	0.2
211.00031	0.2
247.65973	0.2
371.19312	0.2
537.19427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20955	0.2
59.01376	0.6
61.98835	100.0
62.72601	0.3
69.76593	0.8
71.01395	0.4
85.02983	0.3
101.02459	0.4
118.08650	0.3
123.10732	0.3
144.55928	0.3
182.15706	0.3
273.28726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90855	0.7
59.01384	100.0
60.01737	0.7
61.98837	12.8
63.36388	0.6
69.43497	2.2
71.01387	2.0
71.29909	0.7
72.04559	1.0
73.02925	0.7
85.02960	0.7
87.00882	0.8
89.02457	1.6
93.03491	0.9
96.96034	0.8
101.02452	1.7
113.02514	1.2
119.03519	1.0
134.73314	0.7
135.04617	0.7
140.07198	7.1
148.34251	0.6
150.09087	0.6
151.03990	0.9
161.04665	0.9
166.78387	0.7
179.05571	0.8
216.13977	1.9
271.06204	2.7
286.08594	1.6
301.10907	3.7
323.09943	1.4
328.19366	1.2
330.20685	1.0
336.80344	0.7
346.20111	3.1
349.12985	1.0
358.20584	0.9
364.21616	1.4
374.19998	0.9
376.21283	24.3
377.21643	1.6
386.19702	0.9
404.20969	0.7
407.09982	0.7
408.23929	25.0
409.24561	1.3
420.20425	1.1
422.22235	1.2
447.15610	1.9
450.25034	22.9
451.25674	2.4
452.23599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13908	0.4
58.76904	0.4
59.01384	100.0
60.01720	0.8
61.98845	1.6
71.01409	1.2
73.02991	0.5
85.02955	1.0
89.02460	1.0
96.96081	0.8
97.02959	0.5
101.02472	0.8
109.02975	0.5
113.02504	0.7
113.06109	0.8
119.03507	0.6
136.01770	0.5
149.04552	0.6
151.04044	0.7
157.05109	0.9
160.04063	3.3
161.04448	2.6
166.05093	0.6
176.69890	0.5
191.05618	0.5
193.10632	0.5
222.62962	0.5
228.61501	0.5
242.24236	0.5
301.10687	0.5
359.65701	0.5
376.21347	1.0
408.24164	1.2
510.14459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03492	4.8
59.01388	39.2
61.98824	18.2
69.80350	4.2
71.01402	45.8
71.53201	5.4
73.02962	10.7
83.01406	8.4
85.02952	30.5
86.44795	4.3
87.00882	7.1
87.31879	4.4
89.02460	12.8
93.03466	9.3
96.96032	6.5
101.02448	32.6
101.60313	4.9
106.04253	7.3
107.05039	63.8
111.00882	17.3
113.02450	21.4
126.90354	6.3
129.26540	4.9
131.03534	5.7
133.02994	5.8
135.04533	7.2
149.06075	7.7
151.04031	92.0
161.04608	43.7
165.05510	6.9
175.04027	6.9
177.05576	17.2
187.07645	11.2
189.05653	6.3
191.05731	30.0
193.05107	29.0
194.95563	13.9
196.90001	5.3
231.06616	24.2
258.04572	5.5
310.90671	5.8
311.07822	14.9
313.09311	100.0
319.04510	12.6
352.91339	9.0
355.10336	30.3
355.88077	5.5
415.12463	10.4
450.99673	8.9
471.93253	5.5
473.12943	8.8
475.14392	12.0
511.12625	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	511.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15075	1.2
55.01874	2.5
57.03452	66.0
58.03783	1.4
59.01382	100.0
61.98809	1.7
68.08869	1.2
69.11294	4.4
69.11715	4.5
71.01386	39.4
71.05032	1.6
72.99303	2.4
73.02951	20.2
75.00887	1.5
81.03455	1.8
82.02967	7.0
83.01381	4.9
85.02484	1.9
85.02949	9.7
87.00893	2.8
88.75141	1.2
89.02452	40.1
95.01395	1.8
95.44791	1.3
99.00878	2.5
99.04534	31.9
101.02448	46.7
113.02457	18.7
115.07642	2.4
119.03513	15.5
123.04535	3.1
125.02463	23.7
131.03450	1.4
134.03741	1.5
134.90683	1.4
138.05637	2.7
143.03506	5.7
149.04567	3.2
150.03159	1.3
159.10262	3.8
161.04579	8.8
171.54669	1.2
179.05641	7.8
193.05040	2.4
205.14417	13.1
211.06139	4.6
211.13391	1.8
218.06937	3.5
233.09322	8.6
245.09254	1.5
246.44153	1.4
271.15683	1.6
282.71918	1.5
287.10260	5.2
333.55032	1.4
349.18716	20.5
367.19742	75.1
368.19989	5.0
409.20804	15.5
449.23853	2.8
451.22174	1.7
486.17969	1.3
511.18481	7.5
511.25269	15.6
512.17944	1.9
512.24951	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	511.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18850	5.1
54.04035	4.4
57.03446	10.7
59.01387	100.0
61.98830	13.8
63.39954	4.6
63.51591	4.4
69.10802	29.5
69.11213	11.9
71.01383	58.7
73.02956	18.4
75.00883	6.2
83.01367	7.6
85.02961	13.5
87.00875	4.7
89.02452	60.0
99.00894	14.3
99.04538	8.6
101.02457	50.2
106.23973	4.4
108.02193	9.5
113.02474	18.1
119.03529	6.2
121.02946	10.0
131.03484	7.2
143.03471	6.0
149.02478	5.4
149.04572	37.2
152.01138	13.9
161.04639	11.0
163.43082	4.6
179.05595	4.4
191.05566	7.3
193.05049	5.8
199.29990	4.3
207.77632	4.4
235.11798	6.6
248.35175	4.9
252.06659	18.0
270.07761	27.5
276.87134	4.9
296.90582	4.4
301.51767	5.3
346.38803	4.9
367.16010	15.2
399.09396	8.9
419.65277	4.7
435.11844	21.0
451.21970	38.8
467.14651	6.3
475.18405	6.5
511.25153	10.0
535.73444	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	511.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03434	1.5
59.01383	23.4
60.53075	0.4
61.98817	1.1
69.21883	1.9
69.22297	0.6
69.75580	0.4
70.80669	0.3
71.01389	16.4
72.01659	0.3
72.99294	0.5
73.02952	5.6
74.05247	0.4
75.00904	0.5
78.11926	0.3
83.01396	2.3
85.02956	6.4
87.00841	0.7
88.98819	0.6
89.02454	8.0
95.01378	1.4
99.00886	1.2
101.02451	13.9
112.74597	0.5
113.01706	0.7
113.02453	6.3
119.03514	2.9
125.02480	0.6
159.02988	0.5
161.04607	1.8
175.04010	0.4
179.05666	0.5
197.67000	0.5
229.15894	0.4
285.16147	0.4
287.19870	0.7
303.19617	1.4
305.21219	0.6
331.18930	0.9
339.19958	0.4
400.05292	0.5
483.25662	1.1
511.25513	100.0
512.25861	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	511.2551
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01873	1.5
57.03449	1.1
59.01384	25.1
61.98504	1.5
61.98835	31.3
62.02442	0.7
65.17850	0.7
66.57948	0.7
71.01389	48.8
71.44652	1.0
72.99309	1.1
73.02948	7.1
76.94695	0.7
83.01398	3.5
85.02960	8.4
87.00874	2.1
89.02461	5.1
95.01397	1.4
96.96017	0.9
99.00882	2.3
99.04556	0.9
101.02451	14.1
111.00870	1.2
113.02473	5.9
119.03533	2.3
125.02462	1.0
125.61379	0.7
159.02898	0.9
161.04579	1.5
163.57251	0.8
182.13814	0.8
189.97900	0.7
229.12216	0.8
254.04688	0.9
257.15460	1.0
259.05447	0.8
259.17004	2.0
272.39536	0.7
275.16595	1.7
277.18106	8.9
349.20184	8.2
379.01041	0.8
389.10263	0.8
439.23560	1.0
451.26974	0.9
469.28171	3.2
475.25684	1.2
493.24216	0.9
511.25513	100.0
512.26080	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	511.255
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01871	1.1
57.03434	1.5
59.01383	23.4
60.53075	0.4
61.98817	1.1
69.21883	1.9
69.22297	0.6
69.75580	0.4
70.80669	0.3
71.01389	16.4
72.01659	0.3
72.99294	0.5
73.02952	5.6
74.05247	0.4
75.00904	0.5
78.11926	0.3
83.01396	2.3
85.02956	6.4
87.00841	0.7
88.98819	0.6
89.02454	8.0
95.01378	1.4
99.00886	1.2
101.02451	13.9
112.74597	0.5
113.01706	0.7
113.02453	6.3
119.03514	2.9
125.02480	0.6
159.02988	0.5
161.04607	1.8
175.04010	0.4
179.05666	0.5
197.67000	0.5
229.15894	0.4
285.16147	0.4
287.19870	0.7
303.19617	1.4
305.21219	0.6
331.18930	0.9
339.19958	0.4
400.05292	0.5
483.25662	1.1
511.25513	100.0
512.25861	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	512.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05561	0.8
59.01381	3.1
61.98838	100.0
65.60960	0.7
69.84480	0.8
71.01390	0.9
71.91980	0.7
84.67020	0.7
98.21803	1.8
101.02445	0.9
109.87768	0.8
113.02539	0.9
128.27443	0.7
139.07727	0.8
192.52733	0.7
195.99469	0.9
512.27246	1.4
513.31165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85225	0.4
58.10928	0.5
59.01386	100.0
59.37392	0.4
60.01713	0.5
61.98842	1.3
70.97041	0.8
71.01392	1.9
73.02950	0.6
85.02953	0.6
89.02473	1.5
99.00919	0.5
101.02483	1.1
134.03793	0.7
149.04666	0.7
149.06146	0.7
151.04079	0.7
162.52039	0.5
402.22815	0.6
410.59943	0.6
435.27148	0.6
453.20093	0.5
465.19336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39331	0.4
57.03459	0.4
59.01384	100.0
60.01732	0.8
61.98834	3.6
69.52528	1.2
70.20435	0.4
71.01395	1.5
82.95447	1.6
85.02964	0.4
88.98797	0.4
89.02467	1.5
92.12565	0.3
101.02499	0.7
113.02466	0.5
114.05614	0.4
119.03532	0.4
134.03755	2.9
134.04619	0.4
136.01701	1.1
149.06104	3.0
150.03403	0.3
151.04039	1.9
181.38316	0.4
211.06195	1.3
353.13614	0.4
420.24023	1.1
441.31769	0.4
512.10559	0.5
512.17682	0.9
512.28979	1.2
513.17755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90533	0.6
59.01383	100.0
61.98840	3.8
66.67678	0.6
70.59761	1.1
71.01388	2.2
78.95937	0.7
87.00840	0.7
89.02464	0.8
96.96014	6.2
96.96928	1.4
120.02663	0.7
187.68571	0.8
204.61554	0.7
219.53061	0.6
302.11328	0.8
307.08334	1.3
385.42953	0.9
521.19623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46220	3.9
57.03444	6.0
58.05280	4.1
58.76210	4.2
59.01387	96.1
61.98835	41.7
71.01394	69.9
72.99313	4.2
73.02958	23.5
75.67615	4.1
77.39949	4.1
83.01384	6.7
85.02948	21.1
89.02462	58.9
99.00897	13.3
101.02460	45.6
106.37601	3.7
111.00900	15.6
113.02469	16.9
121.02974	14.4
125.02460	15.6
125.06125	4.9
125.26008	4.5
131.03534	11.7
136.05321	14.8
149.04575	22.4
161.04597	11.2
165.09256	6.7
167.66301	3.9
183.10313	15.9
184.29399	4.0
191.05588	9.2
233.06670	6.9
293.08844	46.7
307.19153	14.4
321.19177	33.9
329.06519	47.0
351.21878	9.4
453.23471	100.0
513.17249	17.2
513.23822	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	513.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
57.03452	1.1
59.01385	12.9
60.01715	0.6
61.98837	100.0
70.01003	1.2
70.01373	1.1
71.01392	6.8
73.02950	3.2
83.01416	1.3
85.02963	4.0
87.00899	0.6
89.02473	2.7
97.02969	0.8
98.21981	0.6
99.00887	1.4
99.04522	0.6
101.02464	7.0
105.89371	0.5
111.00945	0.7
113.02471	3.1
118.03055	2.7
119.03542	0.6
125.02484	0.8
131.03535	0.7
133.02930	0.5
158.64581	0.5
159.03059	0.8
160.01768	1.0
161.04559	1.2
163.04120	0.7
165.05659	0.5
167.03493	0.7
168.06696	0.6
175.04065	1.3
193.05107	1.0
198.16345	0.5
226.16525	0.6
251.07121	1.4
284.05719	0.8
316.08246	2.9
321.19244	5.8
451.33041	1.2
452.33133	5.9
453.23447	18.7
453.33255	5.9
454.23874	1.2
513.15747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	78.7
59.36985	0.8
61.47170	0.7
61.98833	1.6
69.31549	0.7
71.01378	4.6
71.86717	0.7
73.02928	0.8
77.75032	0.9
78.95937	0.8
85.02966	2.0
86.83747	0.9
89.02460	3.2
101.02473	3.8
111.00928	0.9
111.32838	0.8
113.02460	6.5
119.03531	2.3
161.04587	1.2
163.11304	1.6
165.12875	14.9
219.46965	1.0
247.20708	8.4
255.03152	1.3
261.15128	0.8
267.11276	0.9
273.18701	5.0
273.21127	0.9
283.02615	1.2
287.20071	0.9
291.19696	100.0
292.19907	3.9
305.21161	3.0
315.19720	1.4
333.20697	4.3
345.20584	1.3
453.08017	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03456	0.1
58.00615	0.2
59.01383	7.7
69.03446	0.1
69.28421	0.5
69.28840	0.2
71.01386	4.4
72.99308	0.2
73.02961	1.1
78.95883	0.1
83.01392	0.5
85.02971	1.0
87.00879	0.6
89.02453	3.3
89.67180	0.1
90.87476	0.1
91.04009	0.2
95.01370	0.3
99.00859	0.4
101.02449	4.3
102.97947	0.1
112.01633	0.1
113.02464	2.1
119.03532	1.0
125.02444	0.1
127.07684	0.2
131.03481	0.2
133.05092	0.4
143.03499	0.4
157.05121	0.3
161.04587	1.8
179.05612	0.6
181.00523	0.1
227.14757	0.1
233.22748	0.2
235.08234	1.3
253.09296	15.9
254.09656	0.3
259.20523	0.3
275.20261	0.4
277.21738	100.0
278.22092	4.6
281.05978	0.1
339.87332	0.2
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
55.01652	0.1
55.01872	0.4
57.03450	0.2
58.00607	0.2
59.01384	9.2
60.01732	0.1
69.03461	0.1
71.01387	5.8
72.01762	0.0
72.99329	0.2
73.02953	1.4
75.45881	0.1
76.52180	0.1
81.03466	0.1
83.01393	0.7
83.05035	0.3
85.02953	1.3
87.00887	0.7
89.02452	4.3
91.04029	0.2
95.01398	0.5
96.22471	0.1
97.02960	0.3
97.06567	0.1
98.21779	0.1
99.00889	0.3
99.04539	0.1
101.02452	5.2
103.04026	0.2
109.69209	0.1
111.00930	0.1
111.04607	0.1
112.01667	0.1
113.02460	2.6
113.06095	0.1
115.04021	0.1
119.03512	1.3
125.02454	0.2
127.07676	0.3
131.03534	0.2
133.05122	0.3
143.03499	0.5
145.05154	0.1
149.04572	0.1
157.05092	0.2
161.04576	1.9
179.05626	0.7
182.13220	0.1
193.53145	0.0
201.51761	0.1
205.19678	0.1
218.90237	0.1
233.22806	0.3
235.08199	1.1
253.09303	16.1
254.09676	0.4
257.19907	0.1
259.20670	0.4
275.20126	0.3
277.21747	100.0
278.22086	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	514.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13833	1.6
59.01374	3.9
61.98830	6.6
66.33279	1.7
69.85320	3.7
69.85708	4.1
71.01390	3.3
74.37871	2.0
81.03483	14.9
83.01434	2.1
83.05028	5.6
84.95715	1.5
85.02950	3.2
93.03516	1.8
98.22607	2.1
109.02962	9.1
111.00905	2.4
111.03806	3.1
111.04540	31.3
113.02464	2.6
122.02505	3.2
127.04017	10.2
133.01721	6.3
136.04062	4.6
137.02444	6.5
148.00435	10.2
149.01204	1.7
152.03572	3.1
155.03497	16.5
155.26436	1.8
165.00732	3.5
166.01472	3.9
166.02718	2.3
175.99896	2.1
177.00682	2.9
178.01489	2.4
180.03049	14.7
181.03810	13.2
182.04601	2.1
191.05449	2.1
191.99362	3.3
192.03062	5.4
195.05359	14.8
196.06161	12.0
197.04802	3.5
202.01392	2.2
207.01733	28.3
208.02351	2.7
214.05109	7.2
215.05876	3.9
220.02534	3.4
222.04103	29.3
225.04355	9.3
231.01808	3.1
234.04193	3.4
240.06662	12.4
242.04619	16.3
243.05374	14.4
256.06186	2.4
257.06973	2.0
258.07687	7.4
259.04855	9.7
276.08652	2.7
287.04388	35.7
288.05118	11.6
302.06741	76.4
303.07129	3.2
315.07550	2.2
318.06168	12.9
319.06964	16.5
320.07761	10.4
333.08676	12.5
334.09335	100.0
335.09796	4.1
352.10309	11.5
362.08774	1.9
379.85394	1.8
399.08282	2.2
464.12036	2.8
482.13080	4.0
496.14676	88.5
496.22150	4.2
497.15045	7.6
514.15686	54.7
515.15674	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	514.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55397	0.1
59.01390	0.1
61.98832	100.0
62.98521	0.1
69.51846	0.3
69.52235	0.3
69.79341	0.1
73.10719	0.1
75.10114	0.1
90.96442	0.1
98.21960	0.3
98.76093	0.1
152.95432	0.1
163.90916	0.1
164.22823	0.1
178.44691	0.1
235.40588	0.2
323.05670	0.2
454.33600	0.3
514.33099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93243	0.7
53.99073	0.7
57.03445	1.8
59.01384	14.8
60.42641	0.8
61.98834	27.3
67.01888	2.2
69.03446	1.3
69.37726	3.1
71.01382	7.7
73.02920	1.7
81.03456	1.3
83.04996	1.6
85.02954	15.8
87.00886	4.5
89.02443	6.2
91.01920	1.1
93.03465	13.7
98.21848	1.6
99.04531	1.3
101.02473	4.4
108.02171	1.3
109.02958	10.4
111.00894	1.2
111.04519	2.6
113.02433	2.2
115.38029	0.8
119.03548	0.9
119.05017	1.3
121.03000	3.8
127.04015	1.9
129.01952	1.1
129.09389	0.8
130.04279	1.5
131.05048	7.3
133.02950	1.8
135.04448	1.1
136.12404	0.7
142.20961	0.7
143.05037	6.2
145.02960	3.4
146.03737	4.5
147.04550	9.0
149.04518	1.1
155.03528	0.8
157.02934	0.7
158.03697	0.9
159.04527	1.2
160.04025	1.5
161.02475	1.3
161.04474	1.7
167.03500	2.8
171.02925	0.9
173.04562	5.9
175.04022	1.4
177.01945	1.0
179.05594	1.1
188.28976	0.7
191.05624	91.2
192.04286	5.7
192.06027	1.9
195.08234	1.0
205.06644	1.7
207.06599	4.6
209.06039	1.9
219.02989	1.7
223.07581	4.4
229.01427	3.7
232.05319	0.9
233.06047	5.5
234.06718	1.8
235.07585	3.9
237.05580	7.8
249.05629	2.3
250.06438	4.0
251.07141	47.2
252.07458	2.5
253.08716	37.0
254.09003	1.4
261.05548	5.4
262.06210	1.9
269.08206	1.4
277.05121	2.8
278.05905	6.1
279.06647	31.2
280.06924	2.0
295.05994	1.4
297.07721	5.5
305.04587	0.8
323.05618	100.0
324.05994	5.6
341.06790	10.1
351.90692	0.8
471.12793	3.4
514.27271	1.4
515.11957	36.7
515.19012	2.2
515.27838	2.3
516.12567	3.0
516.28052	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	515.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03910	0.6
50.41083	0.7
59.01377	10.5
59.40829	0.8
61.98834	60.7
62.35583	0.7
69.03520	0.7
69.06624	4.2
71.01389	5.1
73.02955	1.5
81.03473	1.1
83.05041	1.2
85.02961	11.8
87.00894	4.1
89.02461	4.5
89.64146	0.7
93.03468	12.9
93.59190	0.7
97.35491	0.7
98.21883	1.7
99.04521	1.2
101.02433	3.2
109.02971	6.2
111.00928	1.4
111.04514	1.7
113.02466	1.6
121.02931	1.6
127.04012	3.1
129.03462	1.0
129.16902	0.7
131.03516	1.1
131.05048	1.8
133.02896	1.1
143.05035	5.1
143.71068	0.7
145.02968	3.4
146.03767	2.5
147.04538	5.3
149.04565	2.0
158.03876	1.1
159.04530	1.2
161.04482	0.9
164.58948	0.8
167.03511	1.1
173.04559	3.5
175.04057	1.0
179.10753	1.3
191.05627	73.9
192.04298	3.3
192.05934	1.1
195.08122	1.1
198.23225	0.8
203.10866	1.6
206.09450	0.9
207.06644	3.1
209.06082	1.7
221.11848	8.4
222.06866	1.1
223.07687	4.2
229.01437	3.3
233.06120	5.2
234.06807	1.0
235.07622	2.7
237.05568	6.8
249.05649	2.1
250.06412	3.0
251.07152	44.2
252.07504	2.3
253.08746	15.1
261.05603	6.3
262.06158	2.0
269.08118	1.1
277.05090	1.8
278.05853	5.4
279.06647	25.7
280.07086	0.8
295.06180	1.8
297.07642	2.8
323.05618	100.0
324.05960	5.9
341.06683	1.7
471.12729	1.1
515.11945	23.2
515.18695	1.0
516.12244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05437	2.8
59.01384	66.7
59.74593	3.4
64.62608	3.1
69.12435	21.0
71.01388	36.8
75.00879	5.5
85.02969	8.6
87.31050	3.0
89.02449	45.3
91.64127	2.9
96.96939	4.0
98.21880	6.9
101.02460	14.2
113.02470	9.9
119.03512	16.1
120.51801	3.0
129.01933	5.9
131.03598	3.5
142.99872	16.4
143.03470	4.8
149.04568	4.2
161.04605	4.5
171.18268	3.4
173.00871	4.2
179.05611	25.7
191.05663	5.1
210.23479	3.2
212.10020	3.1
231.24950	3.7
341.10889	100.0
342.11240	4.1
541.61707	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	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44073	0.6
59.01387	2.9
61.98842	1.1
67.01900	1.1
67.04549	0.6
68.38036	0.8
69.03463	0.7
69.62618	1.6
69.63002	1.2
69.66491	0.7
71.01395	2.7
75.00844	1.0
76.75446	0.7
81.03485	1.2
83.66478	0.6
84.56101	0.6
85.02959	10.5
87.00884	3.4
89.02495	0.7
93.03466	7.7
99.00934	0.7
99.04534	0.8
101.02464	0.7
109.02975	1.0
111.04544	2.5
116.92829	0.8
117.03539	1.4
127.04038	2.7
132.02219	1.4
133.02959	6.6
135.04544	8.9
160.01646	3.2
161.02457	43.6
162.02721	1.3
173.04575	2.2
179.03493	5.2
180.03104	1.0
191.05626	100.0
192.05998	1.8
227.23244	0.6
316.53583	0.7
323.07742	40.0
324.08008	1.4
341.09036	3.1
353.08679	3.3
455.21585	0.8
497.15131	1.2
515.13983	24.8
516.14917	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	515.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00313	0.3
57.03463	0.7
59.01383	3.7
61.98824	1.1
63.74965	0.3
64.84935	0.3
67.01873	0.4
69.03465	0.4
69.26910	2.0
70.84071	0.3
71.01394	1.8
73.02949	0.7
74.15439	0.3
81.03456	0.4
83.05013	0.5
85.02954	11.5
85.71328	0.4
87.00870	2.4
89.02474	1.1
93.03468	4.8
98.21875	0.7
101.02430	1.1
109.02962	1.0
110.54025	0.4
111.04527	1.8
113.02488	0.6
117.03471	1.3
127.04031	2.7
129.01984	0.7
132.02171	2.1
133.02974	7.3
135.04547	3.3
136.54813	0.4
155.03557	0.5
160.01675	2.6
161.02461	55.2
162.02811	1.6
164.15410	0.4
171.03035	0.9
173.04570	1.5
179.03514	4.6
181.33437	0.3
191.05630	100.0
192.05971	2.0
288.04791	1.1
303.07092	0.8
323.07745	42.0
324.08145	1.9
334.09326	0.6
335.09698	1.1
341.08746	1.0
353.08765	3.4
354.09384	0.4
382.17358	0.6
383.17624	1.1
395.09842	0.5
427.19583	0.4
449.98804	0.4
471.18384	0.6
497.15271	0.9
515.14087	32.9
516.14398	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	515.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61477	0.1
56.91750	0.1
57.03458	0.3
59.01081	0.2
59.01385	4.0
61.98841	0.7
69.03486	0.2
71.01382	1.5
73.02963	1.1
81.03477	0.2
83.01402	0.2
85.02967	2.3
87.00909	0.2
89.02449	1.1
97.02957	0.3
99.00900	0.2
99.04577	0.1
101.02451	1.7
103.04030	0.7
113.02467	0.4
115.04018	0.3
119.03529	0.6
121.02972	100.0
122.03291	1.7
125.02477	0.7
141.57039	0.1
143.03523	0.2
160.16934	0.1
163.06183	0.9
185.11830	0.1
207.06616	0.5
207.13849	0.2
215.51866	0.1
223.95084	0.1
291.96866	0.2
307.10416	0.3
483.02509	0.4
497.39282	0.1
510.36548	0.1
515.05640	0.2
515.28522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01387	3.1
61.98830	0.3
69.03465	0.1
69.22775	0.1
69.23163	0.3
71.01386	1.4
72.99299	0.1
73.02954	0.7
77.03985	0.3
83.01402	0.2
85.02962	2.1
87.00858	0.1
89.02444	1.0
92.20773	0.1
97.02958	0.3
99.04543	0.1
101.02457	1.6
101.90591	0.1
103.04014	0.7
113.02464	0.2
114.20413	0.1
119.03535	0.5
121.02971	100.0
122.03298	1.6
125.02456	0.7
127.04030	0.2
131.03513	0.1
145.05116	0.2
163.06152	0.8
172.01584	0.1
191.05676	0.1
205.07268	0.2
207.06599	0.6
207.13884	0.2
237.32787	0.1
247.08362	0.2
283.58435	0.1
291.96814	0.1
307.10281	0.3
309.43488	0.1
310.07312	0.1
483.02325	0.2
515.28455	0.2
516.28705	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2862
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01871	2.1
57.03461	3.3
59.01385	47.2
61.98841	4.3
69.05903	3.0
71.01389	27.9
71.01791	0.9
72.99312	1.2
73.02617	0.6
73.02957	6.2
82.75544	0.5
83.01400	4.3
85.02470	0.6
85.02963	11.5
87.00851	1.3
87.04510	2.4
89.02451	13.4
95.01409	3.4
98.22639	0.9
99.00877	2.0
99.04494	0.9
101.02451	21.0
111.00845	0.8
113.02460	9.8
119.03525	5.7
121.02981	0.6
125.02466	0.6
129.01915	0.7
131.03467	0.7
137.09737	1.4
143.03456	0.8
159.03000	0.6
161.04572	2.7
163.00906	0.4
179.05605	1.1
187.13391	0.5
202.01482	1.1
311.01877	0.8
335.22333	0.8
353.23392	0.8
383.04205	0.9
411.87973	0.5
497.27716	1.1
515.28656	100.0
516.11591	1.6
516.29053	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03425	0.2
59.01384	6.5
59.91367	0.2
61.98833	0.4
71.01022	0.3
71.01383	4.6
72.99301	0.2
73.02932	0.8
74.38107	0.2
75.00860	0.5
83.01403	0.5
85.02937	1.1
87.00879	0.6
89.02444	2.9
95.01370	0.3
96.59184	0.2
98.22697	0.5
101.02440	3.4
113.02444	1.6
119.03506	1.0
123.76798	0.2
131.60841	0.2
133.05045	0.3
143.20863	0.3
157.05054	0.3
157.52831	0.2
161.04549	1.2
179.05630	0.3
216.39973	0.2
235.08290	0.8
246.12489	0.2
253.09300	13.8
254.09587	0.4
259.80496	0.2
279.23306	100.0
280.23682	5.0
412.72433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19106	3.1
57.44725	2.9
73.63826	2.7
124.31409	3.7
125.56572	3.1
163.11285	47.3
176.12158	6.2
177.12857	6.0
178.41229	3.1
183.31924	3.3
208.11107	3.7
242.21674	3.1
282.16101	8.1
283.17123	8.0
339.23288	100.0
340.23389	4.7
351.23407	5.1
515.28070	6.0
515.35327	84.1
516.35632	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	516.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16508	1.2
57.03451	1.5
59.01381	5.8
61.98829	5.3
69.28413	6.1
71.01382	12.4
73.02954	2.5
83.05056	1.5
85.02958	17.5
85.65925	1.3
86.02490	19.6
89.02471	2.2
90.27176	1.3
93.03461	2.8
94.03773	1.5
101.02483	1.5
105.02243	1.3
108.04543	1.4
111.04540	1.3
121.01660	1.3
122.02544	2.2
123.03283	1.8
133.01665	7.8
135.04539	4.4
135.20410	1.3
136.04872	2.1
138.05635	1.9
145.05048	6.2
148.00421	3.6
148.04048	5.0
148.90945	1.9
149.01196	63.7
150.01990	4.9
151.02795	2.0
157.05060	2.6
160.04019	1.3
161.01163	2.6
161.06053	1.9
162.02017	4.9
163.02835	1.3
164.03577	4.7
166.02769	7.2
166.05128	2.7
168.89713	1.2
174.01978	3.1
176.03571	8.3
177.00664	5.1
177.02029	1.6
177.04311	8.1
178.01463	24.1
179.02200	10.7
179.03513	1.3
180.03032	64.6
181.01511	1.6
181.02118	2.0
181.03783	31.1
181.05128	3.6
182.04649	1.9
191.05644	21.9
192.03056	4.2
192.05951	11.4
194.04633	8.3
195.05368	9.7
196.06152	42.7
203.02271	2.5
207.01721	4.8
236.05615	7.8
263.08023	1.9
278.10388	4.2
289.05884	1.3
290.06451	1.5
304.08279	3.2
307.06995	41.4
308.07367	2.0
316.11188	1.8
322.09341	19.2
336.10605	1.3
338.08707	1.9
339.09601	2.3
341.07495	17.5
353.11447	2.9
354.12000	100.0
355.12286	2.6
356.09842	18.4
371.46646	1.4
385.42535	1.4
396.38910	1.2
397.04538	1.7
398.10873	4.6
448.63519	1.3
484.14783	3.4
503.54074	1.6
516.17291	79.1
517.17419	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	516.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01377	3.2
61.98816	3.4
69.80138	3.9
71.01389	10.3
73.02943	2.0
76.65329	1.1
85.02956	11.8
86.02482	4.8
89.62332	1.3
93.02207	1.4
94.03006	1.8
101.02438	4.8
108.04578	1.4
109.02982	1.1
111.04512	1.3
113.02450	1.8
120.00918	1.5
121.01705	2.4
122.02493	8.7
127.03960	1.2
133.01700	8.8
136.04060	11.2
145.05052	2.4
148.00430	2.8
148.04033	4.3
149.01198	14.6
150.01971	2.9
152.03560	2.1
157.05090	5.1
161.01172	2.5
161.02446	1.4
161.04570	4.5
162.02003	3.8
163.02751	2.5
164.03558	4.8
165.00722	2.3
166.01450	13.0
166.02744	7.5
174.32816	1.2
176.03543	7.1
177.00720	6.0
177.04268	8.2
178.01398	8.3
179.02214	2.5
180.03027	44.4
181.01430	2.5
181.03804	58.5
181.05083	2.9
182.04630	7.0
191.02246	1.9
191.05637	1.9
192.03079	7.0
192.06641	4.4
194.04547	3.2
195.05348	18.2
195.65910	1.3
196.06171	54.1
197.06471	1.2
203.02194	1.6
206.04695	1.5
207.01784	1.8
208.02490	1.5
221.03246	1.4
222.04057	1.7
228.86948	1.2
236.05637	9.7
263.07935	1.1
304.08493	1.9
307.06992	6.8
308.07755	3.5
322.09366	20.4
338.08847	2.0
339.09628	3.6
341.07425	5.2
353.11179	3.1
354.11951	100.0
355.12186	2.7
356.09790	7.1
398.10941	3.2
484.14856	4.2
488.36069	1.3
516.17255	68.8
517.17523	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	516.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39682	0.2
58.54488	0.2
59.01389	0.3
61.98835	100.0
213.12746	0.3
292.20184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.1
60.07469	3.7
60.34270	3.8
71.72896	4.0
77.78176	3.9
98.21810	9.4
169.90344	4.2
205.94788	4.5
237.18614	100.0
253.09416	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	70.7
60.42066	0.8
62.24818	0.7
70.85168	1.4
71.01380	1.4
72.99319	3.0
73.02964	3.8
85.02968	2.3
90.42970	0.8
90.78123	0.7
113.02464	4.8
117.16427	0.8
126.01202	0.7
131.03525	2.2
132.98204	2.1
157.01453	1.3
174.99268	31.5
175.02440	3.9
201.02609	8.0
217.00314	100.0
218.00616	1.7
301.87360	0.9
337.07748	1.0
347.23380	0.9
359.01523	12.7
360.01987	1.0
374.99234	55.7
517.13873	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	69.4
59.89935	0.6
61.98840	5.7
65.80803	0.7
69.02803	0.6
71.01402	1.9
71.39627	0.7
110.91712	0.6
111.00881	1.8
123.00869	0.7
132.98187	1.8
133.05095	0.9
135.04520	1.1
138.03270	0.8
153.38945	0.6
164.02834	0.6
173.04582	1.0
174.99266	30.8
175.02527	1.1
179.01535	0.6
179.03365	0.7
182.02190	1.0
191.05614	1.6
193.01707	0.7
197.04552	1.9
200.97575	0.6
201.00851	1.2
201.02541	6.6
204.10229	0.6
217.00316	100.0
218.00714	1.5
244.30415	0.7
299.09406	0.9
358.97348	0.7
359.01572	12.6
360.01590	0.8
374.99234	49.8
375.99728	1.0
397.04736	0.7
422.91113	0.8
457.07364	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
56.23228	1.1
57.03452	96.0
59.01080	2.3
59.01383	45.4
61.98828	1.1
63.35405	1.0
69.22548	6.2
71.01383	13.6
71.63766	1.1
72.20708	1.0
73.02953	26.4
75.00879	1.9
79.05524	1.7
81.03471	4.8
82.29886	1.0
83.01371	6.6
85.02959	3.3
89.02460	4.3
92.92799	1.1
95.01405	1.7
97.06619	2.0
99.04528	74.1
101.02450	26.0
101.54234	1.3
113.02449	8.8
113.06097	2.5
114.87996	1.2
119.03519	2.4
123.04550	10.2
125.02460	55.2
126.47508	1.0
126.99579	10.1
131.08702	2.4
141.05617	3.2
143.03525	4.0
151.03195	2.9
161.04561	10.6
163.07689	2.4
165.04776	2.0
167.06346	100.0
168.06667	2.5
179.05746	1.6
181.00677	3.5
203.05612	3.9
211.05339	45.7
225.06883	33.5
227.25490	1.3
253.06395	16.8
263.07593	1.5
269.01208	2.5
283.07309	1.4
305.08731	12.1
323.09787	3.0
327.36365	1.1
338.20160	1.1
364.60172	1.2
517.14722	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.8
59.01387	54.0
61.98831	7.3
65.82991	2.0
69.18860	14.8
71.01388	23.3
73.02959	9.1
81.03469	13.7
83.01411	2.2
85.02966	9.2
89.02457	34.5
97.44898	2.4
99.00909	4.6
99.04526	53.9
101.02439	18.6
105.01933	11.6
111.00855	2.7
113.02465	10.0
116.92936	2.3
119.03522	8.3
131.03506	3.9
135.04524	10.3
137.72389	2.5
143.03546	3.5
149.04570	11.7
160.01758	2.5
161.04617	4.4
163.04036	36.3
177.25050	2.3
178.06372	8.6
179.05695	2.7
190.05045	2.8
191.05568	3.9
193.04984	3.3
196.07265	3.0
205.12329	4.4
249.11302	3.2
263.09265	36.4
278.11642	27.9
293.13989	100.0
294.14252	4.5
340.11621	2.7
355.13834	5.0
468.12070	2.7
517.19952	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24111	3.3
59.01381	66.0
61.98838	4.8
71.01006	6.0
71.01387	47.9
73.02937	16.9
85.02954	11.1
86.23115	3.2
88.98807	5.6
89.01940	6.3
89.02452	79.7
99.00883	23.1
99.04523	3.9
101.02456	46.0
111.00911	13.8
113.02437	11.1
125.02450	5.2
131.03497	17.6
134.03722	15.5
137.02367	4.6
149.04559	100.0
160.01711	7.5
161.04556	8.8
175.04056	10.3
178.02776	7.1
191.05603	22.7
193.05046	20.0
196.06194	3.9
208.03821	7.5
221.06694	17.1
223.06119	4.2
235.06117	8.4
251.07811	18.5
255.10324	3.8
295.08252	6.1
311.09781	14.1
481.23187	5.9
485.15021	5.8
517.20636	88.2
518.21057	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	517.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16798	3.8
57.63844	3.5
59.01384	69.8
61.98812	6.5
69.86427	11.5
71.01384	41.5
73.02954	11.9
75.17696	3.6
77.72265	4.7
78.85355	4.0
85.02950	17.8
89.01930	7.3
89.02447	75.8
93.03467	7.6
99.00876	24.5
101.02455	48.5
111.00873	22.3
113.02408	11.8
119.03513	5.8
131.03491	17.6
134.03720	18.4
135.04549	5.6
149.02525	8.6
149.04561	100.0
160.01700	8.6
161.04613	8.4
173.04523	7.4
175.03955	11.1
178.02766	6.0
191.05617	65.7
191.07208	4.7
193.05069	25.3
221.06656	15.3
235.06126	5.9
251.07751	16.9
255.10262	16.7
257.03259	4.5
265.07349	4.7
270.12039	4.0
293.08725	7.1
295.08255	6.0
311.06274	4.1
311.09805	15.1
339.01968	5.9
343.08142	11.4
354.04428	4.8
481.23010	6.7
517.13934	9.1
517.20642	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	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29528	0.7
55.01873	1.9
56.58462	0.7
57.03456	6.1
58.00594	1.3
59.01385	94.5
61.98844	4.0
67.01876	0.8
69.03461	6.0
69.88043	0.8
71.01390	75.4
71.55170	0.7
72.01697	1.0
72.99306	2.2
73.02955	17.5
75.00224	0.6
75.00892	2.1
81.03461	2.9
83.01404	4.0
83.05017	0.9
85.02962	10.8
87.00893	1.7
89.02454	100.0
90.02766	1.0
95.01411	0.9
97.02962	8.7
99.00890	20.2
99.04528	1.7
101.02457	33.6
109.06586	1.2
111.00928	5.0
113.02448	9.9
113.06107	3.1
115.04023	4.5
119.03537	3.3
125.02464	30.3
131.03526	19.1
135.08241	0.8
137.09761	3.2
143.03476	3.5
149.04570	48.4
153.09256	7.3
161.04599	4.4
161.05844	0.7
163.11298	1.1
165.09233	3.4
173.04573	0.9
175.07608	1.3
175.99922	0.7
187.11311	2.5
191.05643	14.9
193.05095	0.8
193.12129	0.7
205.12354	5.3
221.06784	1.3
223.13440	11.2
233.06680	23.4
234.06990	0.8
241.49841	0.8
247.10266	0.9
251.07707	2.3
289.09613	0.8
293.08826	20.9
315.75540	0.8
385.18802	0.8
517.23126	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	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03455	1.9
58.00595	1.4
59.01383	96.9
61.98835	1.0
67.01919	0.6
69.03457	1.6
69.17320	2.9
71.01388	64.4
72.01723	0.6
72.99304	1.8
73.02956	11.2
74.88407	0.5
79.92005	0.6
81.03431	0.6
83.01398	2.6
85.02959	11.6
86.00110	0.7
87.00889	5.5
89.02450	100.0
90.02792	1.2
95.01379	0.7
97.02962	2.5
98.00034	0.5
99.00900	4.3
99.04506	0.8
101.02449	44.4
111.00889	5.5
113.02457	11.1
115.04070	0.7
119.03487	5.3
125.02467	6.2
129.01929	2.3
131.03517	34.8
132.03970	0.6
135.08194	1.0
139.27580	0.5
143.03455	1.6
149.04567	82.5
150.04903	0.7
152.01227	0.6
153.09225	1.6
160.04044	1.3
161.04544	2.6
165.09207	1.5
178.80252	0.6
179.10760	1.8
191.05615	21.9
191.07339	1.0
193.05083	0.6
205.12405	1.1
221.06612	0.8
233.06563	3.1
235.06111	0.7
251.07706	1.9
293.08795	4.1
311.09811	2.4
326.29337	0.6
458.43558	0.6
517.15027	0.7
517.22797	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	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03455	1.9
58.00595	1.4
59.01383	96.9
61.98835	1.0
67.01919	0.6
69.03457	1.6
69.17320	2.9
71.01388	64.4
72.01723	0.6
72.99304	1.8
73.02956	11.2
74.88407	0.5
79.92005	0.6
81.03431	0.6
83.01398	2.6
85.02959	11.6
86.00110	0.7
87.00889	5.5
89.02450	100.0
90.02792	1.2
95.01379	0.7
97.02962	2.5
98.00034	0.5
99.00900	4.3
99.04506	0.8
101.02449	44.4
111.00889	5.5
113.02457	11.1
115.04070	0.7
119.03487	5.3
125.02467	6.2
129.01929	2.3
131.03517	34.8
132.03970	0.6
135.08194	1.0
139.27580	0.5
143.03455	1.6
149.04567	82.5
150.04903	0.7
152.01227	0.6
153.09225	1.6
160.04044	1.3
161.04544	2.6
165.09207	1.5
178.80252	0.6
179.10760	1.8
191.05615	21.9
191.07339	1.0
193.05083	0.6
205.12405	1.1
221.06612	0.8
233.06563	3.1
235.06111	0.7
251.07706	1.9
293.08795	4.1
311.09811	2.4
326.29337	0.6
458.43558	0.6
517.15027	0.7
517.22797	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	517.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79148	0.7
55.01865	1.0
55.79348	0.7
57.03452	1.5
58.00592	1.4
59.01385	100.0
61.98837	1.6
69.03465	0.7
69.32388	3.7
71.01388	57.2
72.99308	1.2
73.02955	14.1
75.00896	0.8
83.01406	3.4
85.02962	8.0
86.00116	0.7
86.98064	0.8
87.00867	7.2
89.02453	89.8
90.02802	1.0
91.70704	0.6
97.02950	0.7
98.22620	1.3
99.00864	1.1
99.04520	1.2
101.02454	39.5
106.78256	0.7
111.00935	0.9
113.02463	9.5
119.03516	4.9
125.02463	2.8
130.14352	0.6
131.03523	35.0
143.03545	1.7
149.04570	63.1
153.09203	2.7
156.72885	0.7
163.06099	2.6
177.12878	1.4
182.60431	0.7
191.05638	17.2
205.07121	0.8
205.12344	9.1
251.07779	1.2
271.26114	0.6
311.09528	0.9
337.11194	0.9
517.22314	1.0
517.29565	1.2
518.25165	1.4
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
51.33767	1.5
51.63588	1.5
59.01386	100.0
61.98837	5.3
69.14333	9.3
71.01391	65.9
71.01794	3.5
73.02954	21.3
75.00908	2.1
79.00623	1.5
82.95442	4.6
83.01424	2.9
85.02966	12.2
87.00874	2.4
87.63396	1.8
89.02453	99.1
97.02958	1.8
99.00888	24.4
101.02463	45.7
105.01925	5.0
111.00929	2.3
113.02466	11.4
116.92889	3.3
119.03501	7.5
125.02468	4.6
131.03528	23.1
143.03564	2.7
149.04572	65.9
161.04576	5.6
178.05049	2.9
179.03490	2.9
179.05521	3.3
191.05661	17.4
199.89084	1.6
205.12386	5.8
223.13452	1.6
251.07864	4.1
293.08823	1.9
311.10010	2.9
354.30923	1.7
481.23151	16.2
517.19702	9.3
517.29303	1.7
518.26044	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	517.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.90256	0.3
57.03450	1.3
59.01386	18.6
61.33720	0.4
61.98824	1.1
69.03477	0.6
71.01389	8.4
71.44559	0.4
73.02960	1.8
83.01378	1.1
83.05046	0.7
85.02958	3.0
87.00906	0.4
89.02457	5.8
95.01421	0.9
95.05032	0.9
97.02982	0.4
97.06585	2.4
98.03737	0.4
99.00893	0.9
99.04513	0.5
101.02460	7.4
101.03109	0.6
111.00958	0.4
111.08194	1.9
113.02475	3.4
113.09750	2.4
115.07687	0.6
119.03504	1.4
121.02976	1.6
123.08180	0.7
125.05983	0.4
126.06874	0.7
135.08191	0.5
137.09772	2.8
139.07652	2.0
139.11311	2.4
141.09238	4.8
143.03517	0.6
143.07129	0.7
151.11284	1.1
153.09264	1.8
155.10843	0.8
161.04599	2.6
165.09250	2.0
165.12854	6.6
167.10774	2.2
169.08672	2.0
179.05692	1.0
183.10338	2.0
185.11807	0.6
190.05107	1.0
191.14407	1.4
193.12378	0.9
203.14594	0.4
209.19162	0.6
212.10574	0.5
213.11285	0.5
219.17575	7.2
221.15512	0.4
235.17084	0.4
237.18556	2.0
245.15427	1.7
253.09315	20.1
253.18266	0.9
263.16537	21.3
264.16895	1.1
281.17612	100.0
282.17926	4.5
283.19144	0.5
313.07144	0.6
401.08786	1.5
448.19604	0.6
462.43723	0.4
499.30118	0.4
517.27063	7.4
517.29889	6.6
518.26355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36574	1.2
57.03438	4.8
59.01382	49.0
61.98823	5.3
69.03446	1.7
71.01387	20.7
73.02938	5.6
74.92225	1.2
81.03460	1.3
83.01376	4.1
85.02953	5.9
87.00864	2.4
89.02450	15.5
95.01369	2.9
95.04984	3.1
96.02127	1.5
97.02942	1.6
97.06594	9.6
99.00881	1.9
99.04487	1.6
101.02450	19.6
111.00858	2.4
113.02461	7.9
113.09727	2.1
117.97253	2.1
119.03496	3.5
125.02478	2.4
125.09743	1.4
133.06595	1.9
135.08183	7.2
151.11273	5.0
153.09225	3.3
161.04587	8.7
165.09198	5.8
165.12856	12.1
175.04042	1.5
177.12799	1.5
179.05548	2.6
181.08687	4.8
195.10233	2.7
219.17532	32.6
245.15559	2.5
253.06638	1.4
253.09299	37.5
255.02930	5.0
263.16531	82.9
264.16931	3.0
271.02530	6.3
281.17593	100.0
282.17917	5.7
300.02740	12.9
355.24771	3.6
357.74170	1.2
517.09583	3.4
517.30219	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	517.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.07674	0.6
56.23499	0.6
57.03444	2.3
59.01383	19.8
61.98822	1.8
71.01388	8.7
73.02952	1.9
83.01386	1.4
83.05045	0.8
83.99331	0.7
85.02960	2.5
87.51630	0.7
89.02445	6.5
95.01411	0.8
97.06580	1.5
99.00884	1.1
99.04539	0.7
101.02466	7.3
109.06601	1.3
111.08183	2.1
113.02442	4.4
113.77934	0.7
119.03521	1.6
123.08156	3.1
125.02532	0.6
125.06054	1.0
125.09766	5.2
127.11288	2.5
135.03036	0.7
137.09694	1.2
141.09268	1.1
142.93921	0.6
149.04483	0.8
151.11316	1.0
153.09238	1.9
155.10808	3.8
161.04568	3.0
165.12857	1.1
177.42075	0.6
179.05650	0.6
179.10841	0.6
183.13914	1.1
199.09808	1.0
200.10452	0.9
213.11301	0.9
219.17525	13.5
220.17830	0.8
231.41786	0.6
235.16956	0.7
237.18564	4.3
238.21109	0.7
245.15479	1.8
253.09305	19.1
253.18123	1.1
263.16528	16.8
281.17599	100.0
282.17862	4.2
321.12131	0.7
324.30753	0.6
516.31213	0.6
517.27362	8.5
517.29883	8.7
518.30487	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81586	0.8
55.01895	1.8
57.03452	1.1
58.00595	1.1
59.01384	94.2
61.98830	0.8
69.03467	6.3
69.13476	5.3
71.01388	81.3
72.99297	2.1
73.02956	12.5
73.23129	0.8
75.00879	2.6
75.72936	0.8
79.01904	0.9
81.03479	3.1
83.01389	4.3
85.02950	12.2
87.00883	3.0
89.02452	100.0
90.02773	1.1
90.61692	0.9
93.03466	6.6
95.01419	1.9
97.02955	12.0
98.22663	1.3
99.00896	19.6
99.04513	2.2
100.44633	0.7
101.02454	18.3
106.06757	0.8
111.00883	2.2
111.08154	1.2
113.02460	16.4
115.03999	7.1
119.03515	2.2
125.02455	39.5
127.04102	0.9
131.03519	11.5
143.03511	2.9
149.04578	19.6
153.25072	0.8
159.03030	1.3
159.04517	1.2
161.04591	7.2
165.56845	0.9
169.06635	1.1
173.04587	1.3
191.05598	9.4
213.05556	1.1
223.06348	11.0
227.07269	1.8
233.06679	34.8
266.69818	0.9
267.06693	5.9
279.10364	0.8
281.08185	3.5
293.08804	50.8
294.09177	1.4
301.03143	1.5
305.08197	2.0
320.96509	0.9
323.09207	1.0
518.16870	1.8
518.30493	1.8
519.31879	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2033
Annotation	O-Methylisoalangiside
Peak:m/z	Relative Intensity
59.01391	1.5
61.98831	3.2
66.84071	0.5
68.57007	0.5
69.83978	1.5
71.01404	1.2
71.55266	0.5
73.02975	0.5
89.02481	0.6
101.02455	1.1
108.81728	0.5
111.00893	0.8
113.02434	0.7
134.03728	0.7
135.46378	0.5
139.03987	0.6
149.02486	1.0
155.34836	0.4
163.04033	0.5
164.04669	1.0
174.62961	0.5
175.00435	1.0
179.03549	0.6
181.05107	1.1
190.02725	3.0
191.05751	0.9
193.05132	0.8
194.05402	0.6
195.04475	0.8
205.05136	2.7
211.04024	1.8
223.04211	0.7
223.06128	2.6
239.03502	21.9
239.05931	1.1
240.04002	0.8
254.05850	2.1
265.07224	1.7
267.02988	6.8
269.10602	0.8
281.10547	1.6
282.05258	2.9
297.10095	56.6
298.10446	2.9
312.12436	44.9
313.12781	1.6
325.09558	2.2
340.11902	85.4
341.12100	3.5
353.12534	1.0
354.13470	1.3
355.14261	100.0
356.14615	4.8
365.77472	0.5
486.17606	0.9
503.18164	2.0
518.20343	52.8
519.15741	1.7
519.20667	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	518.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90981	3.1
54.50673	2.9
56.30324	3.3
56.49697	3.1
60.35784	3.2
61.98834	4.5
69.53647	3.1
70.01978	12.4
71.53683	3.1
87.96790	3.1
96.95248	3.8
123.30713	3.4
123.69974	3.1
154.46365	3.2
233.41959	3.2
239.20172	100.0
253.09270	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	519.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09539	1.3
57.23976	1.2
59.01384	14.2
61.98822	4.5
63.02406	2.1
71.01376	6.7
73.02946	3.6
80.37125	1.3
83.01403	2.0
84.13337	1.4
85.02969	1.7
89.02454	4.4
91.53080	1.4
98.22720	2.0
99.00893	1.4
101.02444	5.0
106.67605	1.4
107.01412	4.5
108.02172	1.9
113.02419	1.5
141.11172	1.6
151.00369	12.8
161.04596	1.9
164.01208	2.8
171.04488	1.5
178.99864	1.7
181.02422	1.9
199.04166	7.1
201.01933	2.8
203.03590	2.6
215.03485	4.2
218.33670	1.5
226.02695	1.9
227.03520	9.5
227.63544	1.5
242.02245	18.1
243.02983	59.0
244.03345	3.0
255.02998	6.2
257.04575	14.5
270.01715	18.7
271.02496	64.0
272.02917	4.2
283.02521	3.3
284.03238	4.4
285.04056	33.2
286.04736	9.6
299.01965	27.8
299.05597	17.2
300.02753	52.3
301.03223	2.2
313.03549	8.3
314.04337	100.0
315.05096	82.0
316.05423	3.2
357.26669	1.5
367.87204	1.4
369.06143	1.4
376.31714	1.5
447.53815	1.4
459.09354	39.8
460.09122	1.8
477.10818	1.6
518.31122	1.7
519.11481	84.0
519.24176	3.6
519.31470	6.7
520.11890	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92635	2.1
57.11292	2.2
59.01385	29.6
61.27979	2.0
61.98821	9.4
66.21223	2.6
66.80291	2.1
71.01381	16.5
73.02934	7.2
85.02958	4.5
87.00861	3.4
88.18734	2.5
89.02463	13.0
93.03484	5.0
96.96004	2.3
101.02455	11.7
109.02969	2.4
111.00842	2.5
113.02429	6.0
119.05006	2.5
121.02967	80.4
123.04509	4.9
134.03731	4.8
134.06114	2.7
135.04520	14.0
136.01610	3.0
143.03470	2.3
149.06082	3.4
151.04063	2.2
162.05702	5.6
163.03990	3.7
164.04788	3.7
165.01947	100.0
175.00372	3.6
179.03510	3.3
190.02713	13.2
191.05647	12.5
192.06624	3.1
193.05057	2.7
205.05110	10.7
214.76202	2.4
222.27097	2.5
223.06148	6.3
265.07193	3.8
267.10291	3.4
295.08078	2.4
297.09576	3.5
315.10803	6.1
335.13837	2.6
340.11896	2.9
355.14130	4.1
356.14648	6.4
357.11844	15.0
463.80347	3.0
481.18762	3.5
519.15436	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	519.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22932	1.1
57.03435	1.8
59.01385	38.7
61.98839	8.0
71.01390	28.7
72.99301	1.5
73.02939	7.2
76.44702	1.1
82.95441	1.3
83.01390	1.9
85.02964	7.6
87.00864	3.2
89.01949	2.1
89.02459	32.1
93.03471	6.6
96.99300	1.8
99.00866	1.3
101.02453	19.5
104.37580	1.0
108.02171	3.5
111.00885	2.5
113.02444	7.6
115.00417	1.8
116.92879	1.5
119.03524	3.2
119.05037	25.9
121.02935	2.2
122.03743	1.5
123.04552	2.4
125.02463	2.5
131.03513	11.6
131.05014	1.9
132.05801	3.0
133.06683	1.3
134.03761	12.0
135.04562	2.0
136.01649	1.4
143.05077	1.6
145.02951	2.0
146.03712	3.3
147.04559	6.1
148.05391	5.8
149.02518	6.5
149.04549	23.5
149.06030	3.8
151.04005	2.2
158.03790	1.5
159.04500	2.4
161.04492	1.3
161.06049	2.6
162.03148	1.2
162.05643	2.0
163.04059	12.6
164.04829	6.8
171.04559	1.4
175.00343	4.7
177.05540	5.0
178.02730	3.5
179.05663	2.6
190.02713	14.0
191.05647	5.4
193.05055	7.3
205.05066	12.6
206.05768	1.2
207.06631	3.0
208.03815	1.8
223.06131	11.6
225.05603	4.1
226.06396	25.9
226.08582	1.9
227.06705	1.6
235.07668	2.4
237.07539	1.3
240.07935	3.3
241.08723	25.5
245.04437	1.1
250.06444	1.5
251.07251	6.9
252.07967	15.3
253.08771	9.1
254.09473	6.4
265.07159	3.4
267.10303	16.3
268.10867	2.1
269.11884	10.0
279.06558	4.4
280.07394	3.9
294.08932	3.1
295.09796	6.9
313.10941	1.2
330.65140	1.2
339.08414	1.8
356.14548	2.2
358.12997	1.8
387.10782	1.7
387.20145	1.9
403.13913	1.8
519.15204	100.0
519.24207	7.2
520.15521	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	519.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.3
59.01383	59.7
61.98830	11.9
69.03468	1.1
69.61419	0.9
71.01390	41.3
72.99333	1.6
73.02956	8.8
73.14246	0.9
76.80299	0.9
81.03421	0.9
83.01395	2.9
83.05006	1.6
85.02959	8.8
87.00872	5.9
87.15131	0.9
89.02452	46.8
91.01926	1.2
95.01383	1.2
97.02925	1.0
99.00916	4.2
99.04573	1.2
99.92605	3.7
101.02455	26.9
109.02985	3.4
111.00912	2.1
113.02451	10.1
116.92859	4.7
119.03510	5.2
123.04549	1.9
125.02468	3.5
131.03529	14.9
134.03766	2.9
137.02475	1.7
146.03775	3.5
147.04497	5.7
149.04572	32.7
149.05817	1.8
152.03561	1.4
159.03378	1.1
159.04488	5.1
161.04677	4.3
161.05963	1.7
163.04094	0.8
173.04593	0.9
175.04036	1.7
176.01283	0.9
179.05663	1.4
191.05629	12.8
193.05125	2.5
199.07683	1.5
207.14034	1.4
209.06232	1.6
221.06143	1.0
225.05492	1.4
227.06963	0.9
228.35365	0.8
237.05626	10.5
239.07155	2.0
253.05070	3.4
254.05739	2.6
255.06729	5.5
265.05063	10.9
265.07620	1.0
266.05771	2.4
267.06592	1.6
269.04669	1.8
270.05408	1.2
271.06213	0.9
280.07581	1.0
281.04578	3.1
281.08313	2.7
282.05392	2.3
283.06134	34.3
283.09033	1.2
284.06824	3.6
293.08774	1.7
295.06396	2.0
296.06915	3.0
297.07657	4.9
298.08484	17.4
298.11682	1.5
299.09201	3.9
309.04150	1.3
310.08606	2.3
311.09320	6.0
312.10049	2.9
313.10822	16.0
325.07166	1.6
339.08820	1.9
387.10834	16.9
387.20291	6.8
399.11075	4.3
483.09262	1.2
504.13126	2.5
519.15228	100.0
519.24481	17.2
520.15375	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	519.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.8
61.98832	2.5
65.00341	0.8
66.50175	0.7
68.37769	0.7
71.01388	19.7
73.02964	2.9
83.01389	1.1
85.02964	5.4
87.00900	2.1
89.02451	15.5
91.01936	1.7
93.03477	2.8
95.01418	1.2
96.96053	1.1
99.00890	1.5
101.02447	10.8
108.72935	0.7
111.00885	0.8
113.02454	5.3
117.03524	1.0
119.01390	6.3
119.03503	3.4
119.05055	2.8
121.02946	5.4
133.02934	0.8
134.03754	2.1
134.06122	0.9
135.04543	6.3
136.01749	1.1
143.03476	0.8
147.00903	3.6
147.04556	3.9
149.02455	29.3
150.03101	0.9
151.04068	1.9
151.06123	6.4
151.07304	1.2
161.02451	0.9
161.04568	2.3
162.03313	1.9
163.04018	5.7
164.04813	30.0
165.01962	2.5
165.05550	1.2
170.80219	1.0
174.10207	0.7
175.00375	36.3
175.03917	1.0
177.01953	0.7
177.05638	1.2
178.06253	1.0
179.03737	0.8
179.05688	1.8
179.07152	5.3
181.05145	0.8
189.01901	1.5
190.02733	94.3
191.03419	5.5
191.05600	2.0
191.23975	0.7
192.04306	1.1
192.06668	0.9
192.60756	0.8
193.01431	0.8
193.05116	1.0
198.75230	0.7
203.07193	2.1
205.05067	100.0
206.05811	9.1
207.02989	2.5
207.06595	0.9
208.03789	3.1
209.04402	1.0
221.08244	9.4
223.06128	71.7
224.06509	1.9
226.06302	1.1
235.02312	1.1
237.07745	4.9
239.03445	1.8
240.03822	1.7
241.08734	1.4
247.06212	1.1
250.04823	2.5
252.08041	1.3
253.08655	0.9
254.09418	0.8
265.07193	42.9
266.07495	1.8
267.02951	1.0
269.11871	1.2
283.09946	0.7
295.08124	8.8
297.10013	4.6
298.10452	4.4
312.12399	1.8
313.12924	5.5
315.10855	2.7
325.09354	11.6
327.12173	1.0
339.13248	0.9
340.12021	4.5
341.12265	10.7
355.14252	5.2
356.14615	13.5
357.11768	4.6
358.12860	1.2
367.10275	3.6
385.11179	3.1
504.15921	0.9
519.16962	76.2
520.17487	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	519.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12343	0.9
58.06958	1.1
59.01385	30.2
61.98829	8.9
64.41479	0.9
69.49733	3.7
71.01388	21.1
73.02955	4.0
83.01411	1.1
85.02963	4.8
87.00877	1.6
89.02450	19.2
91.01891	1.4
93.03464	2.9
99.00902	1.6
100.37473	1.3
101.02450	12.5
109.02988	1.8
113.02455	6.9
119.01369	5.9
119.03514	4.0
119.05038	7.1
120.96462	0.9
121.02921	6.4
131.03543	1.9
134.03748	3.9
135.04546	1.8
147.00888	3.6
147.04567	3.8
148.05356	1.5
149.02457	28.9
149.04570	3.4
151.04080	1.3
151.06146	4.3
161.02443	1.8
161.04532	1.5
162.03271	2.6
163.04015	8.6
164.04807	34.6
165.01962	1.9
165.05556	2.9
175.00378	31.6
177.04041	1.0
177.05574	3.6
178.02792	1.6
179.05759	1.7
179.07182	5.2
181.05003	1.5
189.01921	1.9
190.02731	96.5
191.03333	6.6
191.05515	1.6
193.05055	3.3
194.02379	1.2
198.10030	1.0
203.07158	2.4
205.05067	100.0
206.05783	11.6
207.02975	3.1
207.06607	1.8
208.03836	3.1
213.73370	1.3
217.93907	1.0
221.08228	10.5
223.06128	66.9
224.06503	1.3
226.06384	6.3
237.07655	5.0
241.08714	6.2
250.04951	3.2
251.07347	1.3
252.07938	3.2
253.08539	1.3
253.10886	1.5
254.09619	1.9
265.07190	45.8
266.07547	2.3
267.10446	2.2
269.11865	3.2
295.07986	6.5
313.11526	1.1
325.09311	9.1
341.12326	1.8
356.14929	1.4
358.13293	1.1
367.10474	3.9
385.11374	2.1
463.72049	1.1
519.17059	91.2
520.17365	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	519.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03878	2.1
53.37197	2.0
59.01385	60.8
61.98823	2.7
69.31470	10.3
71.01386	23.4
85.02966	6.7
87.44038	2.1
89.02458	24.0
93.03470	3.1
96.96009	3.6
101.02446	21.4
109.03044	2.6
113.02444	9.7
119.03526	9.2
119.05039	7.9
130.06647	5.6
134.03766	4.4
135.04541	40.7
161.25542	2.8
163.04042	3.7
185.07933	2.4
193.05208	3.2
203.08240	3.6
226.06377	5.8
241.08681	6.4
252.07907	3.1
301.05124	6.0
315.10895	100.0
459.03897	5.2
500.57489	3.0
519.15137	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
57.03450	3.8
58.00602	1.1
59.01383	100.0
60.01717	1.2
69.03457	2.2
69.45859	3.4
71.01385	71.0
72.99306	1.4
73.02950	18.7
83.01421	4.0
83.28876	0.8
85.02961	13.8
87.00892	4.1
89.02451	97.1
90.02811	0.9
93.32188	0.7
95.01413	2.6
97.02962	3.2
98.21844	1.8
99.00888	15.9
101.02452	48.1
111.00861	1.6
113.02463	20.1
115.04046	2.1
119.03532	8.8
123.08138	1.0
125.02475	8.9
131.03513	28.1
136.01675	11.3
137.09700	1.6
143.03497	3.2
149.04568	58.8
151.04010	15.3
159.03008	2.0
160.07504	0.9
161.04564	9.5
161.66353	0.9
163.11369	0.9
179.05641	3.5
189.12842	4.3
191.05617	17.6
207.13922	7.5
221.06683	2.1
233.06737	4.6
251.07753	3.3
293.08875	4.5
353.50928	1.0
357.13452	14.7
369.19119	10.2
387.10571	1.6
387.20166	3.0
489.23288	3.3
501.23468	29.4
502.23715	2.0
519.24603	20.6
520.24695	1.6
537.53552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
50.11604	0.7
50.25806	0.6
55.01875	2.8
56.79226	0.6
57.03451	3.5
58.00611	1.4
59.01382	100.0
62.50784	0.7
69.03470	3.4
70.80071	0.6
71.01388	78.5
71.05028	0.9
72.99329	1.6
73.02954	16.9
75.00896	0.9
77.50224	0.6
81.03474	2.4
81.07114	1.3
83.01387	7.0
83.05040	2.4
83.10529	0.6
85.02955	16.1
87.00881	4.7
89.02453	80.7
95.01409	2.8
97.02947	6.7
99.00889	9.8
99.04536	0.8
101.02449	41.0
107.05047	1.2
111.00891	3.9
113.02466	17.8
115.04041	1.8
119.03548	6.2
121.10223	0.8
123.08177	22.9
125.02454	15.0
131.03517	25.6
137.09734	9.3
143.03471	3.7
148.08859	0.6
149.04570	30.6
150.04942	0.8
153.09203	1.5
155.03468	0.6
155.08652	1.3
159.03000	1.8
161.04564	12.3
163.11293	22.7
171.11867	2.2
173.09705	2.7
179.05641	3.3
189.12865	36.0
190.13252	1.0
191.05605	10.1
207.13921	35.5
225.15013	6.4
233.06676	10.1
251.07713	1.0
293.08832	9.8
314.08920	0.8
357.05219	1.3
369.18903	1.1
387.20212	9.3
501.23087	1.1
519.24493	62.7
520.24799	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	519.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	18.3
59.01383	100.0
60.56281	3.6
61.98577	3.6
61.98837	34.1
68.33713	4.2
69.50542	16.9
71.01390	53.8
73.02958	23.0
75.00877	6.4
83.01390	9.0
85.02951	23.9
87.00880	10.5
89.02455	29.7
95.01426	6.3
98.21955	8.3
99.00911	5.7
99.04527	12.4
101.02457	43.2
111.00870	8.8
113.02456	21.2
116.92884	4.2
119.03506	9.3
123.37955	3.5
125.02455	9.4
131.03461	4.1
143.03532	6.2
159.03050	6.6
159.98637	3.6
161.04648	9.1
191.05602	3.7
227.03438	5.6
242.02232	10.2
242.41769	3.8
243.02980	43.2
253.04645	8.2
257.04553	10.9
269.15845	4.3
270.01715	11.8
271.02463	36.9
285.04111	27.4
286.04761	6.3
299.01865	9.1
300.02643	7.2
314.04376	43.7
315.04904	9.7
326.85764	4.4
357.26520	7.2
386.03647	4.7
501.30426	12.6
519.11572	80.6
519.22778	21.9
519.31433	33.4
520.11481	5.1
520.32135	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	519.273
Annotation	3-Libocedroxythymoquinone
Peak:m/z	Relative Intensity
57.03456	9.2
59.01382	70.1
61.98830	68.1
64.79110	4.3
65.74928	3.7
65.79741	3.8
71.01376	44.8
73.02946	12.0
73.27272	4.2
75.00890	7.6
78.47408	3.7
81.91758	4.1
83.01385	6.6
85.02924	8.3
87.00855	4.5
88.42787	4.0
89.02453	27.8
89.58003	3.9
99.00891	6.9
99.04535	5.8
101.02466	25.9
105.74709	4.0
113.02453	8.3
113.41753	4.6
125.02461	8.8
149.04558	8.1
161.04573	9.6
171.10304	7.5
205.65414	4.1
229.79079	5.6
305.16235	4.3
315.80032	4.3
519.11523	8.5
519.27301	100.0
532.26056	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	519.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68278	17.1
64.72475	17.7
69.18879	100.0
98.22713	31.9
111.00872	31.6
131.02980	20.2
159.91347	17.9
191.08679	17.9
200.14218	20.1
241.21790	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	519.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26785	4.1
55.01897	4.9
56.27390	3.7
57.03444	18.9
59.01386	100.0
61.98830	38.9
71.01394	43.9
73.02953	18.8
83.01383	10.8
85.02965	20.3
87.00881	7.0
89.02444	18.1
89.14281	4.1
95.01519	4.6
99.00904	4.0
99.04536	10.9
101.02438	40.5
113.02463	17.3
125.02478	6.5
131.00079	5.6
136.01637	5.5
140.17212	4.2
149.04532	6.4
160.04010	4.5
161.04576	11.7
186.16721	5.0
201.12460	3.8
334.32074	4.3
357.26456	11.2
501.30481	14.1
519.26556	47.7
519.31958	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.318
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01877	0.6
57.03446	1.2
59.01385	10.0
61.98823	1.3
65.65514	0.3
65.80765	0.3
69.03456	0.4
71.01389	8.3
71.05019	0.4
73.02939	2.8
82.87920	0.4
83.01393	1.5
85.02967	3.2
87.00884	0.9
89.02446	1.6
95.01382	0.8
98.22649	1.0
99.00874	0.9
101.02448	5.1
111.00881	0.7
113.02450	2.4
118.43130	0.3
125.02446	0.9
139.11264	1.2
141.12866	2.4
149.04501	0.4
159.03122	0.3
161.04608	0.8
171.14009	0.4
178.73636	0.3
185.11844	4.8
221.13158	0.4
253.36362	0.4
283.19116	1.5
295.05225	0.4
339.25366	1.6
355.25180	0.4
357.26489	14.7
358.26840	0.7
362.19583	0.9
501.30972	3.0
519.31769	100.0
520.32062	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	520.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44614	0.5
54.10135	0.5
55.01890	1.6
57.03456	1.8
59.01386	47.8
60.01734	2.4
61.98828	1.3
67.18199	0.5
69.03493	1.2
69.11977	0.6
69.12308	3.4
71.01390	37.5
72.01711	3.5
73.02951	10.8
74.03315	0.5
81.03473	1.2
83.01402	3.0
83.05028	1.4
85.02959	8.4
85.61433	0.5
86.03312	0.9
86.44865	0.5
87.00901	2.3
89.02455	38.8
90.02779	3.3
95.01403	1.8
97.02957	1.1
99.00890	5.7
100.01234	0.8
100.36904	0.4
100.37663	0.5
101.02457	23.1
102.02799	2.8
111.00899	1.5
113.02467	10.4
114.02782	1.4
115.04010	0.7
119.03510	5.2
121.72392	0.6
122.06159	0.7
123.08222	2.4
124.08536	0.7
125.02454	4.2
126.02826	0.9
131.03523	9.0
132.03841	1.5
133.01743	0.6
134.03825	0.6
136.01694	1.7
137.02031	0.8
137.09744	1.9
143.03535	2.5
149.04572	15.3
150.04877	2.8
151.04031	1.7
152.04408	1.0
159.03047	0.7
159.35484	0.5
161.04552	7.5
162.04909	1.4
163.04034	0.6
163.11377	1.9
164.11581	0.8
173.09824	0.6
175.99937	0.5
177.01952	1.9
179.05669	2.3
183.03262	1.1
189.12909	5.4
190.13243	2.3
191.05618	5.3
192.03053	1.8
192.05934	1.1
199.02776	1.3
207.13943	5.5
208.14259	3.1
210.02034	0.7
211.02753	1.4
212.01199	1.2
213.01707	0.6
222.04092	1.2
225.14961	0.8
226.15279	0.8
227.02118	1.1
233.06674	1.7
238.01563	1.7
239.02330	1.5
240.00612	7.1
240.02913	0.6
241.01424	1.1
241.03833	0.8
242.04611	3.8
243.03072	1.2
254.00949	1.0
255.01741	1.7
266.01202	0.7
267.01755	1.7
270.04163	3.1
271.02472	3.8
278.06833	0.5
282.00485	2.2
283.01285	2.8
286.03741	0.9
293.08746	2.0
294.08987	0.9
297.02811	2.8
297.12411	0.7
298.03589	5.8
299.01999	21.1
300.02304	0.8
309.99756	0.7
314.03149	2.1
326.02951	0.6
332.07901	0.8
342.02557	13.3
342.06689	0.8
343.03204	1.2
355.13113	0.9
356.07501	0.7
357.04922	100.0
358.05499	9.0
358.13647	2.0
369.19156	3.4
370.19653	3.2
387.20264	1.8
388.11475	0.6
388.20508	1.6
389.21884	1.4
400.06705	0.9
401.13599	0.8
431.14734	3.1
501.23517	8.0
502.23837	16.4
519.24457	3.5
520.11011	50.1
520.25195	8.2
521.11432	3.5
521.19238	0.7
521.26160	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	520.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44614	0.5
54.10135	0.5
55.01890	1.6
57.03456	1.8
59.01386	47.8
60.01734	2.4
61.98828	1.3
67.18199	0.5
69.03493	1.2
69.11977	0.6
69.12308	3.4
71.01390	37.5
72.01711	3.5
73.02951	10.8
74.03315	0.5
81.03473	1.2
83.01402	3.0
83.05028	1.4
85.02959	8.4
85.61433	0.5
86.03312	0.9
86.44865	0.5
87.00901	2.3
89.02455	38.8
90.02779	3.3
95.01403	1.8
97.02957	1.1
99.00890	5.7
100.01234	0.8
100.36904	0.4
100.37663	0.5
101.02457	23.1
102.02799	2.8
111.00899	1.5
113.02467	10.4
114.02782	1.4
115.04010	0.7
119.03510	5.2
121.72392	0.6
122.06159	0.7
123.08222	2.4
124.08536	0.7
125.02454	4.2
126.02826	0.9
131.03523	9.0
132.03841	1.5
133.01743	0.6
134.03825	0.6
136.01694	1.7
137.02031	0.8
137.09744	1.9
143.03535	2.5
149.04572	15.3
150.04877	2.8
151.04031	1.7
152.04408	1.0
159.03047	0.7
159.35484	0.5
161.04552	7.5
162.04909	1.4
163.04034	0.6
163.11377	1.9
164.11581	0.8
173.09824	0.6
175.99937	0.5
177.01952	1.9
179.05669	2.3
183.03262	1.1
189.12909	5.4
190.13243	2.3
191.05618	5.3
192.03053	1.8
192.05934	1.1
199.02776	1.3
207.13943	5.5
208.14259	3.1
210.02034	0.7
211.02753	1.4
212.01199	1.2
213.01707	0.6
222.04092	1.2
225.14961	0.8
226.15279	0.8
227.02118	1.1
233.06674	1.7
238.01563	1.7
239.02330	1.5
240.00612	7.1
240.02913	0.6
241.01424	1.1
241.03833	0.8
242.04611	3.8
243.03072	1.2
254.00949	1.0
255.01741	1.7
266.01202	0.7
267.01755	1.7
270.04163	3.1
271.02472	3.8
278.06833	0.5
282.00485	2.2
283.01285	2.8
286.03741	0.9
293.08746	2.0
294.08987	0.9
297.02811	2.8
297.12411	0.7
298.03589	5.8
299.01999	21.1
300.02304	0.8
309.99756	0.7
314.03149	2.1
326.02951	0.6
332.07901	0.8
342.02557	13.3
342.06689	0.8
343.03204	1.2
355.13113	0.9
356.07501	0.7
357.04922	100.0
358.05499	9.0
358.13647	2.0
369.19156	3.4
370.19653	3.2
387.20264	1.8
388.11475	0.6
388.20508	1.6
389.21884	1.4
400.06705	0.9
401.13599	0.8
431.14734	3.1
501.23517	8.0
502.23837	16.4
519.24457	3.5
520.11011	50.1
520.25195	8.2
521.11432	3.5
521.19238	0.7
521.26160	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	520.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.5
61.98837	100.0
64.67039	16.7
66.09423	17.9
71.01398	26.4
71.41302	25.3
73.02945	20.8
76.53367	16.8
88.98804	24.6
89.02455	30.4
96.96013	59.7
101.02433	19.0
104.33852	19.3
104.62746	19.7
109.10327	16.9
111.00898	19.3
114.40970	15.7
120.43772	15.2
128.03593	33.0
267.30215	18.5
283.57501	19.4
289.98907	19.2
460.06876	18.6
520.22772	36.2
543.56647	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	520.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23230	8.5
52.22446	10.4
59.01381	24.9
61.98838	66.7
69.30779	46.8
71.01376	26.9
76.87785	9.4
78.95908	29.7
88.30226	10.0
96.97009	10.0
101.02464	11.2
111.00850	14.6
134.03716	9.2
147.04514	12.0
182.02252	28.0
197.04541	51.5
250.58311	10.0
281.08575	12.3
307.86914	10.2
312.16068	10.9
353.74457	11.8
358.12714	11.5
420.48334	11.9
436.17871	21.7
446.57971	10.3
520.15698	15.1
520.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37502	1.1
59.01363	2.5
60.95368	1.2
69.11544	7.8
70.20360	1.3
71.01378	1.5
85.02951	1.5
98.21819	2.5
103.50665	1.2
108.02181	41.9
109.02969	11.0
121.02147	2.0
121.02968	24.5
126.76611	1.3
126.96850	1.1
139.53490	1.2
151.00589	1.3
152.01170	100.0
153.01691	2.7
163.03975	2.1
176.01082	1.7
179.03519	1.5
181.98012	1.3
190.02644	3.0
191.03510	2.4
205.04979	4.7
399.09323	42.1
400.09714	1.8
401.53983	1.2
407.05585	1.3
418.06613	1.1
521.12872	74.2
522.13220	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	521.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82603	0.8
55.01885	8.6
57.03446	7.6
59.01381	70.4
61.14310	0.9
69.03453	3.7
71.01385	98.4
71.16278	0.9
72.01740	1.3
72.99304	1.7
73.02948	52.1
75.00862	2.7
75.63376	1.0
76.13465	1.0
81.03455	1.5
83.01389	18.0
85.02956	48.0
86.00115	1.5
87.00857	4.8
88.89887	1.0
89.02449	32.6
95.01392	6.2
97.02951	7.3
99.00886	25.0
99.04536	1.2
101.02450	87.2
111.00900	3.1
113.02454	36.4
115.04028	4.7
119.03516	1.5
125.02451	9.9
125.26051	0.9
129.01976	1.9
131.03511	6.5
136.47269	1.0
138.04181	0.9
143.03488	4.4
149.04555	14.0
157.02400	1.2
159.03024	6.0
161.04562	42.8
162.04948	1.4
163.29321	1.0
167.10783	2.1
191.05624	4.3
201.42424	1.0
233.06664	8.6
251.07825	1.1
293.08826	2.6
345.11087	77.0
346.11438	3.4
359.27979	3.4
477.15353	100.0
478.15314	5.4
521.14325	64.8
521.33533	9.7
522.14838	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	521.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44269	1.1
55.01880	1.5
56.02682	1.2
57.03455	3.2
59.01382	35.8
61.98827	4.4
69.11653	3.7
69.12082	5.6
71.01388	20.3
73.02940	4.9
83.01387	3.3
85.02956	8.7
87.00875	2.8
89.02454	13.5
91.01902	2.1
95.01376	1.8
98.21900	3.1
99.00866	2.6
99.04537	2.7
101.02440	14.9
107.04987	1.3
108.02167	4.1
109.02973	2.2
111.00908	2.2
113.02458	9.3
118.74321	1.4
119.01407	4.1
119.03502	4.0
121.02962	5.8
123.04549	2.4
124.01673	1.7
125.02469	2.0
131.03476	1.6
134.03722	2.9
135.04529	18.2
147.00865	2.5
148.01682	2.5
149.02454	10.5
149.04538	2.4
150.03235	7.7
151.00404	2.6
151.03999	2.5
152.01151	8.8
159.42001	1.3
161.04553	3.2
163.04019	2.0
164.04836	8.6
165.05556	1.4
175.00371	25.6
176.01155	26.3
177.01898	2.7
179.07149	1.3
190.02724	62.5
191.03513	39.0
191.05313	1.9
192.04021	1.4
193.05110	1.6
194.02261	2.3
195.03033	1.5
205.05058	100.0
206.05545	5.3
208.03720	2.6
209.04646	3.4
221.08215	2.5
223.06166	6.8
227.03494	1.7
242.02312	3.0
243.02914	2.2
250.04819	1.3
251.05669	1.4
253.83699	1.3
255.03104	2.4
265.07269	3.7
266.07001	1.3
270.01602	1.6
271.02466	11.5
272.03296	4.3
289.97894	1.5
290.00934	1.6
297.09744	1.6
299.01978	15.4
315.10825	13.2
316.02246	5.6
356.90494	1.2
359.27972	3.1
377.22000	1.7
389.21799	2.2
399.09271	2.9
405.25192	1.9
461.07190	1.5
506.14432	2.0
512.52899	1.6
521.09644	10.2
521.16730	85.4
521.33527	19.7
522.16962	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	36.4
59.01387	100.0
61.98843	12.2
69.03511	1.4
69.46571	5.5
71.01392	46.7
72.12209	1.1
72.99328	3.4
73.02956	33.5
75.00858	1.3
83.01387	8.7
85.02958	13.4
87.00890	5.6
89.02457	43.9
90.15232	1.3
90.38641	1.2
92.53711	1.1
95.01412	4.0
97.06598	1.2
99.00891	2.2
99.04527	26.5
101.02458	48.8
109.06606	2.4
110.53369	1.2
111.00897	1.8
113.02468	27.0
113.06115	2.7
119.03507	14.7
123.04543	11.0
125.02482	10.1
125.70857	1.2
129.20338	1.3
131.03496	5.7
134.03770	1.5
135.04570	2.2
141.05585	2.8
143.03531	9.2
149.04601	5.7
153.05582	1.7
161.04575	51.8
167.10852	1.5
177.09224	1.4
178.02808	1.7
179.05637	32.1
193.05045	1.3
203.05638	2.6
215.07103	2.6
221.06639	2.7
233.06647	4.3
263.07706	17.4
315.10712	1.5
323.09879	32.7
359.28091	2.8
377.12421	5.5
389.21786	4.5
428.05743	1.3
461.25116	4.0
479.26596	3.8
520.32428	6.1
521.27386	16.0
521.34387	27.5
522.28076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.3
58.00603	1.7
59.01386	81.2
60.01694	1.9
61.49263	1.2
61.93721	1.4
61.98826	5.2
68.99814	2.2
70.47359	1.2
71.01017	2.7
71.01391	38.4
71.48929	1.2
72.01740	2.7
72.99351	1.6
73.02961	7.7
75.00887	1.4
80.05074	6.1
82.95412	1.6
83.01400	4.7
83.04992	1.4
85.02959	12.0
87.00887	3.2
88.74286	1.3
89.02457	43.4
90.02782	4.9
94.31880	1.4
95.01410	2.3
97.02956	1.4
99.00864	6.7
99.92635	2.2
101.02452	29.5
104.05061	1.4
106.06638	1.9
108.02167	1.9
109.02938	3.0
111.00906	8.5
113.02465	12.6
115.04070	1.4
115.98023	1.5
116.92862	4.6
119.03530	8.1
122.06123	5.9
125.02445	2.2
127.05115	2.9
128.03502	2.7
131.03508	5.9
132.04579	48.3
133.03006	1.7
133.04936	1.4
134.06140	35.2
135.04510	2.1
135.06415	1.5
136.01723	1.8
137.02509	1.5
145.02922	2.3
146.03804	2.3
149.02441	4.0
149.04578	13.7
150.05658	42.5
151.04991	2.4
152.07172	5.2
161.04570	3.7
161.05933	1.6
162.05637	2.8
176.03557	1.9
176.07172	2.3
179.05612	1.6
181.08746	1.8
191.05624	3.7
205.05042	2.5
222.50951	1.4
251.08119	2.8
251.12094	2.3
269.12930	1.9
279.11423	46.4
291.09891	2.6
297.12445	22.6
298.12640	2.0
299.90652	1.7
314.12466	6.6
329.13995	1.6
343.02841	1.9
343.14178	5.0
344.12613	2.5
357.04871	4.8
358.05304	9.6
359.15033	7.9
392.28192	1.4
415.05939	1.6
449.19385	2.3
459.17767	27.6
460.18082	2.8
477.18872	100.0
478.19214	7.4
491.19308	12.1
493.92496	1.7
503.17288	4.5
521.10986	7.2
521.26422	23.1
522.26868	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98174	1.0
55.01879	1.9
57.03453	100.0
58.00620	0.9
59.01384	18.0
61.98829	3.1
68.12959	0.9
68.83105	0.8
69.45038	3.0
71.01381	11.2
73.02976	4.6
78.95895	1.3
81.03470	1.8
82.95415	2.6
83.01363	2.6
85.02955	6.5
87.00880	1.4
89.02454	4.9
93.03454	1.5
95.01369	1.5
96.96019	0.9
98.21908	1.2
99.00871	1.6
99.04527	8.8
101.02451	37.2
109.02941	1.8
113.02485	5.0
119.03553	1.2
121.02941	3.1
122.03757	7.2
123.04466	1.1
125.02431	2.1
131.03543	1.1
139.23305	0.9
143.03477	1.1
148.05367	1.5
149.02460	14.0
150.03236	46.1
151.04025	1.1
152.01128	1.0
153.01949	2.9
160.01744	1.0
161.04564	3.8
161.73575	0.8
164.04845	2.6
165.05580	66.7
166.05865	1.2
172.19214	1.0
179.07143	1.2
180.04257	3.4
195.06636	43.8
208.07405	2.1
223.09734	1.9
228.84239	0.9
248.10396	0.9
263.12961	2.3
314.11664	1.2
329.13898	7.8
356.12653	1.2
359.14795	1.4
359.28015	3.7
371.14905	4.0
377.16034	1.3
389.21826	1.6
399.09555	2.0
411.18115	6.0
446.17499	0.9
477.15588	1.3
503.32782	1.3
521.12830	2.1
521.20038	3.4
521.33942	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	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.4
67.90946	0.5
71.01390	10.1
71.39740	0.5
72.01764	0.8
73.01842	0.6
73.02953	2.9
85.02964	2.3
89.02448	10.2
90.02769	0.8
99.00880	1.1
101.02448	6.1
108.02232	0.6
113.02470	2.8
119.03523	1.4
121.02970	4.3
122.03721	1.7
130.28490	0.6
131.03520	2.4
132.03799	0.6
135.04565	0.7
136.05307	1.3
137.05968	0.6
143.03517	0.6
143.04939	0.7
147.04579	2.9
149.04587	4.5
150.03247	1.6
150.04855	0.8
158.03722	1.9
159.04539	9.0
160.05305	27.3
161.04594	1.4
161.06091	7.1
163.03999	1.1
164.04805	2.4
173.04742	0.6
173.06114	2.4
174.06818	1.6
175.07660	23.9
175.09212	1.1
176.07938	0.6
177.05576	4.2
178.06361	14.0
183.06564	0.7
191.03505	0.7
191.05679	1.3
192.07892	8.1
193.08682	2.7
205.05078	0.8
255.10133	0.7
296.46027	0.5
299.09116	0.6
311.09265	0.8
314.11597	1.1
329.13968	100.0
330.14334	4.5
332.55316	0.5
359.15051	2.6
389.22211	0.8
521.18726	0.7
521.26282	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98174	1.0
55.01879	1.9
57.03453	100.0
58.00620	0.9
59.01384	18.0
61.98829	3.1
68.12959	0.9
68.83105	0.8
69.45038	3.0
71.01381	11.2
73.02976	4.6
78.95895	1.3
81.03470	1.8
82.95415	2.6
83.01363	2.6
85.02955	6.5
87.00880	1.4
89.02454	4.9
93.03454	1.5
95.01369	1.5
96.96019	0.9
98.21908	1.2
99.00871	1.6
99.04527	8.8
101.02451	37.2
109.02941	1.8
113.02485	5.0
119.03553	1.2
121.02941	3.1
122.03757	7.2
123.04466	1.1
125.02431	2.1
131.03543	1.1
139.23305	0.9
143.03477	1.1
148.05367	1.5
149.02460	14.0
150.03236	46.1
151.04025	1.1
152.01128	1.0
153.01949	2.9
160.01744	1.0
161.04564	3.8
161.73575	0.8
164.04845	2.6
165.05580	66.7
166.05865	1.2
172.19214	1.0
179.07143	1.2
180.04257	3.4
195.06636	43.8
208.07405	2.1
223.09734	1.9
228.84239	0.9
248.10396	0.9
263.12961	2.3
314.11664	1.2
329.13898	7.8
356.12653	1.2
359.14795	1.4
359.28015	3.7
371.14905	4.0
377.16034	1.3
389.21826	1.6
399.09555	2.0
411.18115	6.0
446.17499	0.9
477.15588	1.3
503.32782	1.3
521.12830	2.1
521.20038	3.4
521.33942	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	521.2034
Annotation	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.62707	1.1
53.78408	1.1
55.01891	1.4
57.03446	1.9
59.01383	33.7
61.98847	1.5
69.52752	1.8
69.53121	2.5
71.01389	20.8
73.02956	4.6
75.00896	1.2
83.01365	3.8
85.02974	6.7
87.00896	3.8
89.02448	9.3
91.22886	1.2
93.18692	1.2
99.00880	2.8
99.04536	1.6
101.02467	13.3
111.00917	1.5
113.02456	6.0
119.03506	1.2
121.02968	5.6
132.71960	1.2
145.03047	2.4
159.03119	1.3
159.04538	1.3
196.56927	1.2
209.69179	1.4
237.70340	1.2
255.06702	1.8
267.06647	3.0
268.07355	3.4
269.08136	3.5
270.08997	1.9
280.07471	2.4
281.08154	9.0
282.08984	7.2
283.09729	5.7
293.08240	4.2
295.09802	4.0
296.10559	1.9
299.09329	3.2
310.08405	1.3
311.09335	4.2
312.09958	2.4
314.11618	7.1
315.12207	2.1
326.11572	9.9
327.12247	7.3
329.13956	8.6
340.09396	1.7
341.13849	10.6
343.11862	2.0
355.11969	4.6
358.14087	1.5
369.13559	1.6
383.87415	1.3
389.21869	1.7
436.24652	1.3
461.14352	2.2
473.14523	5.3
476.16953	6.6
477.66064	1.4
488.16849	8.6
491.19293	89.7
492.19431	4.1
503.19284	100.0
504.19611	8.9
521.26733	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	521.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.4
61.98833	18.6
64.56827	5.8
71.01393	35.0
73.02982	10.4
78.95927	7.5
83.05030	6.4
85.02953	14.0
89.02461	13.3
92.53885	5.6
96.96018	37.7
101.02463	26.2
111.00922	8.5
113.02467	12.9
121.03010	6.6
124.96365	6.7
126.99604	6.6
130.47891	5.7
143.52956	5.6
161.04552	11.7
188.76294	5.6
202.30298	5.6
207.10240	8.8
209.11867	48.2
305.17621	95.0
323.18643	77.8
520.31622	8.6
521.21088	7.0
521.33801	100.0
522.33606	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	521.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58871	6.7
57.03440	10.1
57.12967	7.7
59.01384	88.9
59.96230	6.8
66.02373	6.2
69.66859	27.4
71.01398	45.1
73.02946	15.3
78.95913	7.3
85.02952	16.6
87.00896	11.7
89.02445	41.1
99.00835	15.0
101.02470	37.4
113.02457	18.3
121.37531	6.8
126.83028	6.8
131.20448	7.2
145.53493	6.5
149.04575	23.3
161.04553	7.4
189.41907	6.9
191.05658	8.1
271.09940	10.6
325.41165	7.7
341.11243	8.0
485.24091	39.9
520.31891	8.7
521.21997	47.4
521.33154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.253
Annotation	Unknow
Peak:m/z	Relative Intensity
77.49182	20.2
79.57581	19.4
130.72931	25.1
143.30641	20.4
160.94260	21.9
179.10799	40.5
182.06093	21.0
197.11867	100.0
521.27448	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77242	1.4
57.03444	2.5
59.01385	100.0
60.01725	1.5
61.98826	6.6
69.03455	2.4
71.01392	39.7
72.99310	22.7
73.02950	26.8
78.95901	6.7
82.59460	1.5
83.01387	4.9
85.02966	12.2
87.00879	7.9
87.04509	3.6
89.02451	31.1
89.02960	2.9
91.96001	1.8
99.00896	3.5
101.02456	39.6
103.04018	10.8
108.02203	1.8
109.91284	1.7
111.00939	2.1
113.02471	11.5
115.04065	5.3
119.03519	11.4
125.02480	6.3
131.03522	7.5
143.03545	8.9
145.05069	2.5
149.04617	3.3
161.04570	2.9
162.06894	3.3
163.06143	48.1
163.07545	3.0
167.10776	4.7
167.29344	1.6
179.05666	1.6
205.07182	18.9
231.35481	1.7
265.09262	4.5
293.08664	2.9
296.09677	1.8
307.10236	1.9
311.02368	3.7
313.05954	4.2
315.18253	1.8
328.08261	4.0
359.27924	2.8
360.10880	4.3
455.91248	1.9
461.23926	13.5
505.04971	2.2
521.24615	3.3
521.33307	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.7
57.03451	2.6
58.00590	0.3
59.01383	43.5
69.03459	1.3
71.01385	40.1
71.23427	0.4
71.43178	0.3
72.99316	0.8
73.02950	17.3
75.00871	1.2
75.28275	0.3
81.03444	0.7
83.01397	5.3
84.02180	0.4
85.02953	15.8
85.22320	0.3
86.00110	0.5
86.03289	0.4
87.00862	2.8
89.02448	25.4
95.01382	2.7
97.02960	2.0
99.00890	8.9
99.04519	0.8
101.02446	32.0
109.06577	0.8
111.00866	2.1
113.02456	14.9
115.04012	1.8
119.03520	4.9
125.02444	3.1
127.03994	0.4
129.01979	0.9
131.03514	3.9
143.03468	1.8
147.11858	1.2
149.04582	6.3
159.02968	1.7
161.04562	8.2
161.79408	0.4
179.05664	1.0
191.05634	2.0
197.91241	0.4
209.11897	0.8
227.16541	0.9
233.06694	2.3
293.08835	1.1
309.89157	0.4
311.09445	0.4
325.12814	0.4
344.13083	0.4
359.15182	0.7
359.42575	0.4
371.20398	0.7
389.21823	36.7
390.22339	1.5
491.19623	0.8
503.19214	1.0
521.26141	100.0
522.19470	0.5
522.26501	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	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77242	1.4
57.03444	2.5
59.01385	100.0
60.01725	1.5
61.98826	6.6
69.03455	2.4
71.01392	39.7
72.99310	22.7
73.02950	26.8
78.95901	6.7
82.59460	1.5
83.01387	4.9
85.02966	12.2
87.00879	7.9
87.04509	3.6
89.02451	31.1
89.02960	2.9
91.96001	1.8
99.00896	3.5
101.02456	39.6
103.04018	10.8
108.02203	1.8
109.91284	1.7
111.00939	2.1
113.02471	11.5
115.04065	5.3
119.03519	11.4
125.02480	6.3
131.03522	7.5
143.03545	8.9
145.05069	2.5
149.04617	3.3
161.04570	2.9
162.06894	3.3
163.06143	48.1
163.07545	3.0
167.10776	4.7
167.29344	1.6
179.05666	1.6
205.07182	18.9
231.35481	1.7
265.09262	4.5
293.08664	2.9
296.09677	1.8
307.10236	1.9
311.02368	3.7
313.05954	4.2
315.18253	1.8
328.08261	4.0
359.27924	2.8
360.10880	4.3
455.91248	1.9
461.23926	13.5
505.04971	2.2
521.24615	3.3
521.33307	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2761
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
59.01392	5.9
61.98823	2.3
70.95831	1.4
71.01394	1.6
76.33470	0.9
78.95909	1.2
85.02966	1.7
93.33301	0.9
101.02463	1.4
136.44568	1.0
140.08551	0.9
151.03366	0.9
317.21194	7.0
383.13312	1.2
461.25598	8.9
479.26526	13.7
521.27563	100.0
522.27887	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	521.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
60.04201	0.6
61.98825	1.1
67.30430	0.6
71.01386	1.3
73.02943	1.1
85.02979	0.7
88.52052	0.5
96.96001	0.6
101.02467	1.0
136.01678	0.7
141.07169	0.6
162.06871	1.2
224.42282	0.7
317.21231	100.0
318.21509	5.6
417.70944	0.5
502.84329	0.6
521.32654	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	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44658	1.4
51.79486	1.0
59.01367	1.4
68.01456	1.3
69.47820	5.7
77.03990	1.6
95.04998	2.4
97.18507	1.2
105.03471	9.4
108.91060	1.3
123.79897	1.2
132.02188	3.9
133.02957	35.1
134.03738	10.1
135.04527	4.5
137.02454	3.4
148.05238	1.6
149.06062	1.3
154.16890	1.4
160.01659	22.8
161.02467	20.0
161.06079	3.8
175.04012	68.0
176.04352	1.2
177.01912	3.5
178.02756	2.3
179.03508	1.9
187.78435	1.3
193.05089	6.4
204.90675	1.2
233.08138	1.3
247.09778	2.3
271.22922	9.1
303.16064	1.7
317.17532	2.3
331.19009	1.9
345.20813	4.2
361.27390	2.9
415.24805	12.6
429.20609	2.0
429.26395	23.9
433.25699	3.0
447.27515	35.2
448.28033	2.5
506.28784	3.6
521.31232	100.0
522.31525	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	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
57.03457	4.3
58.27925	0.6
59.01385	22.3
60.23702	0.6
61.98835	15.1
62.76992	0.6
69.03464	1.0
69.19146	3.6
71.01389	23.2
72.99310	0.9
73.02957	9.0
75.00869	1.0
83.01392	5.9
85.02959	14.2
87.00899	1.1
89.02454	5.0
90.51886	0.6
95.01400	1.8
97.02948	0.9
97.06610	1.0
98.22572	1.1
99.00879	3.3
99.04536	0.8
101.02452	19.3
111.00897	3.2
113.02467	8.1
119.03529	1.6
123.08162	2.3
141.09274	1.4
143.03473	0.7
144.27449	0.6
152.01207	0.7
155.10759	0.7
156.09874	0.6
159.03004	1.9
161.04596	3.4
169.12354	1.1
171.13953	0.7
187.13411	1.9
200.14206	0.8
201.15030	0.8
205.88054	0.6
255.03038	1.6
284.03436	1.3
285.03973	0.7
336.28629	0.6
359.28052	20.0
360.28616	0.7
362.19513	1.8
377.12405	0.6
459.09460	1.5
521.33417	100.0
522.33618	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	521.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.3
56.04417	0.5
56.63581	0.4
57.03448	3.5
57.62856	0.4
59.01385	18.4
60.77374	0.4
61.98814	0.4
63.46938	0.4
69.03452	1.1
69.09323	0.8
69.09724	2.0
71.01390	20.3
71.72704	0.4
72.99317	1.2
73.02567	0.7
73.02956	9.6
75.00874	0.7
83.01392	5.7
84.02151	0.4
85.02956	13.0
87.00874	1.5
89.02438	2.4
95.01381	2.0
97.02926	0.6
99.00892	2.7
101.02454	18.9
105.35715	0.4
111.00892	3.0
113.02463	7.4
125.02390	0.6
127.11293	1.4
129.01949	1.3
137.09744	2.2
141.01997	0.5
143.03476	0.8
153.12836	0.7
155.10788	3.0
157.12332	0.6
159.02982	1.6
161.04593	3.4
201.14981	4.0
213.98666	0.5
230.15294	2.8
319.17682	0.6
359.28052	21.9
360.28308	0.9
401.15286	0.5
422.62723	0.5
503.32361	0.6
521.33386	100.0
522.33655	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	522.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44363	0.4
51.47787	0.4
55.01874	1.0
57.03454	1.0
59.01385	6.9
61.98833	100.0
69.82938	1.8
71.01382	5.1
72.39428	0.5
73.02961	1.5
75.81133	0.4
76.09286	0.6
83.01437	0.9
85.02960	2.8
89.02469	1.4
95.01377	0.6
96.96017	0.6
101.02459	4.1
111.01015	0.5
113.02476	2.1
119.03513	0.6
161.04553	0.8
201.15129	0.5
227.03545	3.8
255.02972	5.3
256.03738	0.5
283.02637	1.0
284.03320	9.1
285.04037	3.8
316.06519	0.6
359.27872	2.7
360.28632	0.8
375.31085	0.5
399.07364	1.1
459.09357	11.6
460.10092	1.1
521.33655	9.6
522.18927	0.5
522.34070	5.2
523.35010	1.6
542.91028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.4
61.98835	100.0
68.50125	1.5
68.50517	1.8
68.51628	1.8
70.43982	3.7
71.01402	10.1
73.02951	27.6
73.78244	1.5
75.00883	3.5
75.78118	1.6
83.01383	4.8
89.47160	1.6
94.31399	1.7
98.43884	1.5
101.02464	13.2
104.80488	1.8
104.84033	1.6
106.85286	1.9
113.02478	1.8
113.26702	1.7
114.82711	1.5
125.02450	3.0
126.99563	4.4
149.67880	1.7
155.03473	2.7
155.40820	2.0
167.06343	26.0
181.00645	3.3
203.05508	2.0
211.05362	11.2
225.06923	29.0
253.06390	15.8
317.21182	7.2
318.21585	3.8
385.86313	1.7
406.75662	2.1
429.35556	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49831	0.6
57.29337	0.8
59.01173	0.5
59.01390	5.5
61.98841	1.1
65.57826	0.6
66.36050	0.6
70.13022	1.8
71.01384	2.0
71.30026	0.6
85.02958	0.7
89.02440	1.8
96.96017	1.9
101.02440	1.5
108.02177	12.1
113.02425	0.8
119.03474	1.0
123.03287	2.0
136.07690	2.6
138.01982	100.0
138.05595	12.8
138.06622	1.1
139.02339	0.9
162.99124	0.7
163.04016	1.1
179.07137	0.9
323.09885	0.7
462.16074	3.9
466.86746	0.8
548.70135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.4
59.01389	83.6
60.01719	5.1
61.98831	50.0
69.23865	20.6
69.24269	12.4
71.01391	30.6
73.02962	14.0
85.03003	7.7
87.04523	7.8
89.02454	11.0
92.02524	6.0
101.02460	24.3
113.02450	6.7
117.04601	28.0
118.03008	75.1
119.03498	8.1
142.04128	74.4
142.37877	5.6
143.09473	6.3
144.05666	9.3
168.05714	72.1
198.91183	6.9
212.04659	100.0
226.06296	34.3
254.05804	8.4
293.51508	5.5
325.20325	10.4
521.32855	39.2
522.11066	6.2
522.33527	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62743	4.6
58.63420	4.3
59.01359	5.8
69.80432	14.8
98.21925	5.9
118.56950	4.2
132.34512	4.9
168.23921	5.3
202.48125	4.5
270.55914	5.3
330.37817	5.0
474.36014	5.9
522.21228	100.0
523.21466	8.4
526.20837	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1459
Annotation	Tricornoside A
Peak:m/z	Relative Intensity
57.03442	0.8
59.01385	10.9
61.98817	1.2
65.00331	5.5
71.01397	5.5
72.01691	0.5
72.55200	0.5
72.99319	0.8
73.02946	2.8
82.95413	1.3
83.01405	3.7
85.02937	3.2
89.02448	4.2
99.00893	1.0
101.02451	4.7
102.02782	0.7
107.01414	6.7
109.06513	0.5
111.00896	1.0
113.02456	2.2
119.03519	0.6
119.05025	2.8
121.02935	1.6
125.02448	2.5
129.48705	0.5
131.03505	1.0
134.64157	0.6
137.02495	0.6
141.07121	0.9
143.03519	0.5
143.05038	2.9
145.02985	10.2
149.04567	0.8
151.00391	17.2
161.04539	1.8
161.06100	3.4
163.04066	0.7
163.06105	0.6
181.01495	0.6
183.04468	0.7
184.59332	0.5
185.04637	0.8
185.06096	7.2
225.05574	0.7
229.05074	100.0
230.05347	3.5
238.69481	0.7
253.05026	1.2
271.06189	0.6
331.17630	1.4
361.12982	0.8
374.06339	0.7
381.15051	0.6
389.21777	0.6
390.22113	0.6
428.94113	0.6
463.21857	5.5
493.19919	1.0
523.14709	26.0
523.27655	8.0
524.15027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98813	15.5
69.18491	17.6
69.18897	27.7
71.01390	60.0
73.02946	18.4
74.63396	7.3
84.30056	6.4
85.02951	19.6
89.02466	74.2
99.00863	19.8
101.02450	52.5
104.61694	6.6
105.61337	6.7
113.02455	17.1
119.03518	10.1
131.03493	18.2
145.52304	6.9
149.04578	38.1
152.43645	8.2
161.04488	8.8
191.05647	14.6
270.25076	7.9
331.17645	8.5
410.54312	8.5
463.21851	72.8
478.17334	17.4
515.49982	7.8
523.28143	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	523.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19377	84.5
54.86829	95.7
61.98828	87.7
87.24930	100.0
148.46210	86.7
151.93358	78.9
166.41895	77.1
251.20448	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94147	0.4
59.01377	3.9
61.98814	0.4
68.05550	0.3
68.87356	0.4
69.82299	0.7
71.01372	0.7
73.01368	0.4
73.02961	0.8
76.34680	0.3
78.08856	0.3
98.21956	0.5
101.02470	0.5
171.25961	0.4
181.08672	0.3
319.22781	100.0
320.23077	4.8
500.41342	0.4
516.33282	0.4
523.32843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93270	0.5
55.01879	0.6
56.50804	0.5
57.03441	0.8
59.01385	100.0
60.01693	0.8
61.98845	7.5
71.01389	11.6
71.03573	0.5
71.44691	0.5
73.02953	3.5
73.47878	0.5
75.00890	3.2
78.95908	0.7
80.96535	0.7
82.30574	0.5
83.01414	1.6
85.02959	5.6
87.00890	1.1
89.02448	3.7
95.01451	0.7
99.00919	1.5
99.04533	0.7
101.02452	7.0
104.40417	0.5
110.47238	0.6
112.21465	0.5
113.02451	4.3
119.03516	0.6
122.54513	0.5
125.02459	1.5
145.02945	1.1
159.02991	0.8
161.04570	6.1
174.03220	0.5
175.04166	0.6
175.07704	0.7
192.28635	0.5
193.06616	6.0
221.73790	0.5
233.06650	1.0
246.08896	0.6
293.08859	4.0
319.19656	0.5
319.22910	2.2
325.20355	0.9
327.21896	0.9
349.05527	0.5
463.26965	0.6
481.28207	4.3
523.21368	1.8
523.34607	4.7
524.26581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94382	0.3
58.65815	0.3
59.01383	100.0
60.01728	0.6
61.98844	0.5
63.53827	0.3
71.01400	2.7
73.02969	0.8
85.02979	1.3
89.02460	0.6
89.88580	0.3
99.00862	0.5
101.02466	1.8
113.02470	0.6
139.89336	0.3
142.40309	0.3
161.04613	0.9
165.88301	0.3
189.70131	0.3
361.29721	0.4
463.27136	0.5
481.28635	0.5
515.94550	0.4
523.22540	0.5
523.34998	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	523.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47880	0.3
55.01879	3.6
57.03454	4.0
58.96650	0.3
59.01385	18.5
60.67289	0.3
61.98819	1.1
67.59693	0.3
68.99851	0.4
69.03462	0.6
69.09174	0.6
69.09574	1.6
69.21142	0.4
70.69711	0.3
71.01390	21.9
72.99331	0.5
73.02953	10.2
73.03369	0.5
75.00877	1.8
83.01396	6.3
85.02959	13.7
86.00111	0.5
87.00874	1.5
87.04518	1.3
89.02462	2.5
95.01391	2.1
97.02940	0.7
99.00883	2.9
101.02456	20.1
102.02777	0.4
106.40620	0.3
111.00897	4.3
113.02456	7.5
119.03504	0.5
121.02975	0.4
123.08192	0.9
125.02439	0.5
125.09810	0.3
128.17221	0.4
129.01952	1.5
141.02011	0.4
141.07422	0.4
141.09157	0.4
141.12863	0.6
143.03470	0.4
143.10825	0.8
153.09212	0.3
157.12410	0.4
159.03000	2.5
161.04565	3.9
169.12360	0.8
171.13898	1.3
173.19519	0.4
187.13420	1.2
201.14963	1.3
213.28938	0.3
217.14435	0.4
255.89073	0.4
271.22855	0.6
315.25415	1.4
359.28165	1.8
361.29614	14.9
362.29980	0.7
378.71036	0.4
505.33923	0.4
523.34930	100.0
524.35236	8.1
524.42670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02150	0.3
57.03440	0.7
59.01382	15.3
61.98835	1.8
69.32037	1.6
71.01384	3.1
73.02966	0.7
74.93954	0.3
83.01411	0.3
85.02951	1.2
89.02448	2.2
90.03512	1.6
92.02549	2.7
92.46696	0.4
95.01423	0.4
99.00913	0.5
101.02462	3.3
102.03540	0.5
103.04025	1.0
111.00938	0.4
113.02460	1.5
117.04594	7.4
118.03000	100.0
118.96246	0.3
119.03408	3.4
122.49918	0.3
123.01924	0.4
136.00356	0.5
141.04575	1.2
142.04121	27.5
143.04475	0.6
144.04712	0.6
144.05699	3.3
155.06157	0.4
161.04622	0.7
168.05687	25.6
172.04076	0.6
184.97923	0.3
191.29437	0.3
196.05260	0.6
198.06639	0.5
199.05141	1.1
212.04672	37.9
213.05014	1.1
215.91731	0.4
226.06221	6.7
236.04704	0.6
254.05690	3.0
284.06711	0.5
315.86975	0.4
387.84018	0.3
409.91092	0.4
458.85754	0.4
523.34991	1.4
524.27887	0.7
524.35156	0.7
546.92743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84765	1.1
59.01385	11.0
61.98834	6.1
69.49226	2.1
69.49580	5.3
71.01008	1.2
71.01373	5.5
72.01709	1.5
73.02937	2.4
82.72755	1.4
83.01368	2.3
85.02955	2.3
89.02463	4.2
95.01382	3.6
99.00890	1.7
101.02456	5.7
104.54093	1.4
111.00858	1.6
113.02455	2.1
113.55671	1.3
118.02171	1.3
123.00878	5.6
134.02481	1.6
148.00455	2.3
149.01187	39.6
149.04582	2.4
151.00414	2.7
152.01170	1.6
164.03548	64.7
171.85182	1.4
180.03030	61.6
181.03746	6.0
191.87755	1.4
195.05417	3.1
200.03802	1.7
213.01936	5.0
228.01039	1.3
228.03029	6.0
229.01639	2.3
243.01712	1.9
244.02650	3.4
254.01012	5.9
256.02557	5.3
257.00900	8.7
260.43976	1.5
271.02438	4.1
271.04922	5.9
272.03253	4.5
282.00528	10.7
286.07242	1.9
300.01608	10.5
315.03824	12.4
318.06247	8.4
329.05585	1.8
330.02573	2.4
330.06207	22.7
332.04221	10.8
346.05655	9.6
347.06458	52.8
348.06757	3.5
361.08160	2.1
362.08838	98.1
363.09113	6.6
464.22409	2.0
481.22964	3.5
492.11377	3.9
505.08353	1.4
509.11966	5.4
524.14142	100.0
525.14410	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	524.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25760	0.2
50.93757	0.2
59.01384	1.7
61.98837	100.0
68.01037	0.1
69.24193	1.1
71.01408	0.3
80.49845	0.2
85.02964	0.2
89.02470	0.2
93.76790	0.2
159.40302	0.2
190.35271	0.2
201.11386	0.3
211.13460	0.4
320.23331	0.3
325.20322	0.6
326.20499	0.9
327.21921	0.2
409.16370	0.2
461.28183	0.2
464.27377	0.4
476.22791	0.2
482.28543	0.3
524.29272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83078	3.5
55.01877	3.2
57.03448	5.6
59.01389	100.0
61.98838	60.7
63.99235	3.7
69.88532	9.3
71.01391	34.6
73.02961	14.1
83.01403	5.2
85.02963	18.9
89.02451	13.1
95.01351	5.3
101.02458	27.0
111.00875	3.6
113.02476	13.9
119.03493	3.3
121.02966	7.3
135.04527	3.1
136.00465	4.3
149.74677	3.0
159.03033	3.4
161.04572	22.1
163.99898	5.9
165.00699	4.9
211.13390	7.8
225.98457	3.2
228.03093	9.0
250.34106	2.9
255.01709	5.5
256.02475	22.4
257.00882	7.0
271.02393	6.9
271.04941	8.6
293.43283	3.2
300.01620	17.9
314.03058	24.0
315.03897	86.3
316.04108	9.9
327.04929	9.2
327.21533	17.0
330.06213	87.9
331.06403	3.6
361.29495	4.4
362.08908	20.2
362.30020	5.4
480.23914	4.8
481.28067	12.4
492.11557	55.7
523.34583	5.1
524.14252	19.7
524.28259	4.3
524.35260	22.0
525.23206	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	524.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28127	1.2
59.01387	100.0
60.75274	1.0
61.98846	7.3
70.77364	1.0
71.01385	6.0
71.41241	1.4
71.79178	1.1
73.02972	0.9
81.08221	1.3
85.02941	1.5
85.03867	0.9
87.00888	2.2
89.02440	4.5
96.96012	2.3
97.82850	1.1
99.00914	1.4
101.02447	3.6
113.02416	1.7
119.03519	1.3
123.04523	1.3
134.06116	2.1
145.92427	1.2
148.05299	1.4
150.03207	1.2
158.24196	1.1
160.03993	1.2
161.04523	1.4
163.07573	2.2
164.98276	1.3
165.05556	1.8
167.03520	2.3
175.02451	1.1
175.03960	2.4
178.05077	3.2
179.05389	1.3
191.05583	1.6
201.25024	1.1
207.55153	1.2
246.08575	1.2
465.13385	1.2
469.14203	1.2
470.13962	1.6
548.41022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79800	0.3
59.01383	100.0
60.01710	0.4
76.07211	0.4
80.07989	0.4
103.07565	0.4
170.06294	0.4
193.05145	0.6
383.09744	0.4
446.51886	0.4
516.17883	0.4
524.30652	0.5
536.63098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75831	0.8
57.03468	4.6
59.01387	12.1
60.23380	0.6
61.98832	1.2
67.01917	0.9
69.57355	2.8
71.01387	25.8
73.02957	4.1
79.95723	1.0
82.00738	0.7
83.01392	1.6
85.02962	2.7
89.02453	3.4
90.97136	3.6
96.96022	30.9
99.00878	1.2
99.04538	2.8
101.02444	5.1
109.72709	0.7
111.00922	0.9
113.02480	1.8
116.98726	4.0
118.96643	23.0
119.03495	1.1
121.05064	3.1
125.02445	3.0
125.23858	0.7
128.98735	2.5
132.98216	11.6
140.98724	3.7
142.96690	0.9
144.98189	3.9
146.96143	2.7
155.00368	0.8
156.98203	17.0
158.99782	3.1
159.96915	0.8
160.97696	14.6
161.04532	1.4
168.98225	6.9
170.99777	11.0
174.99249	2.0
177.00833	10.1
182.99756	5.9
184.97723	2.7
185.01381	1.5
186.99268	22.3
189.00839	6.5
194.99783	1.5
198.99231	12.3
201.00842	5.1
203.02507	1.1
210.99231	7.5
213.00879	1.6
217.00305	7.9
219.01878	46.8
226.98747	1.6
227.99489	0.9
229.00325	7.9
231.01920	1.1
233.03528	1.0
241.00479	1.3
243.01929	3.5
245.03545	1.6
259.01376	13.7
259.03946	1.4
261.02957	2.8
265.09320	2.0
273.03006	2.7
282.35611	0.7
283.10452	4.8
303.03967	6.0
315.04126	1.2
321.05069	12.8
325.11542	1.4
333.05014	2.5
339.06158	2.1
345.05035	4.3
347.02838	1.0
363.06125	87.4
364.06488	2.3
368.57700	0.8
379.05347	0.9
381.07184	100.0
382.07446	3.2
405.07321	0.8
407.05310	1.2
421.10486	1.6
423.08237	23.8
424.08920	1.0
427.14584	6.9
465.10147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27167	6.2
59.01376	25.9
61.98818	30.0
63.47313	6.6
69.80302	17.7
69.80640	7.8
71.01382	31.5
78.95909	8.1
92.47903	6.8
96.96001	7.3
118.96610	19.2
132.98204	13.2
152.57504	6.5
156.98209	17.5
158.99748	19.7
160.97691	18.5
168.98199	6.8
170.99779	16.1
177.00775	11.0
182.99725	16.4
186.99272	6.8
189.00723	8.4
191.05550	12.9
198.42532	7.5
198.99219	15.6
201.00829	10.7
259.01376	28.9
261.02884	23.8
303.04086	98.4
303.07361	12.4
321.05048	100.0
363.06140	92.7
364.52200	8.4
465.13208	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	525.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92941	1.1
57.03442	1.9
58.13294	0.9
59.01387	33.2
60.01708	1.1
61.98839	12.7
71.01388	15.5
72.99335	1.3
73.02932	2.5
75.00881	2.3
81.36330	1.1
83.01405	1.6
84.95110	2.2
85.02946	4.2
87.00887	2.0
89.02457	14.2
93.03465	1.3
95.01413	1.3
101.02460	8.5
107.01391	1.3
107.05023	1.7
108.02179	0.9
109.02939	1.4
113.02460	6.3
114.62194	0.9
119.03492	4.1
121.02960	8.7
122.03761	12.6
128.45096	0.9
134.03764	27.8
135.04547	17.7
137.66978	1.1
145.02959	1.4
146.03760	38.7
147.04472	2.3
149.04874	2.2
149.06105	39.8
150.03279	5.5
150.06343	1.3
154.02747	1.0
161.04715	2.1
161.06090	18.7
162.03270	7.2
163.04015	1.7
164.04831	23.0
165.05591	43.1
166.06374	12.0
167.07156	82.8
168.07501	2.5
174.03197	1.3
175.03978	1.6
177.05609	9.6
179.07156	100.0
180.07463	2.0
189.05547	3.0
195.06580	3.7
199.11060	0.9
207.06578	2.3
219.06764	1.6
229.05043	3.8
230.05345	3.5
231.05634	3.0
242.48650	0.9
252.45204	1.1
315.12378	11.5
319.17639	1.1
327.12460	11.2
345.13394	4.2
355.09726	1.1
383.46683	1.2
465.22931	1.9
525.20953	1.7
525.29291	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	525.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
57.03448	1.2
59.01384	42.7
60.01705	0.8
61.98843	3.9
70.91890	0.9
71.01026	1.1
71.01392	17.7
72.99357	0.7
73.02958	1.3
83.01375	1.6
84.96571	0.6
85.02969	3.5
87.00909	0.8
89.02457	12.4
90.02901	0.6
95.01388	1.1
97.63073	0.6
98.21985	0.7
101.02451	9.5
113.02457	5.1
119.03503	3.4
123.89689	0.6
134.03743	3.2
136.05325	1.0
137.02458	0.7
148.05292	2.7
149.05981	0.9
150.06880	1.6
151.04013	1.1
161.04582	1.1
174.06824	1.1
176.04790	3.5
179.05602	0.7
197.73969	0.7
202.06310	1.2
204.08063	0.7
211.13428	8.0
257.15457	5.9
273.18600	1.3
293.28180	0.7
299.16611	11.4
313.08972	0.9
317.17621	11.5
317.21112	0.4
327.15976	3.6
327.21747	1.1
345.17078	11.5
497.24017	1.8
507.21875	0.8
525.23431	100.0
526.23682	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	525.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03429	2.3
59.01384	30.3
61.98819	2.3
66.86514	0.6
71.01382	15.9
73.02940	2.3
75.45589	0.6
80.02427	0.7
85.02942	3.8
87.04518	6.0
87.39790	0.7
87.94828	0.6
88.04032	0.9
89.02454	11.9
99.00888	2.0
101.02459	9.5
101.38166	0.7
103.04021	13.9
104.38139	0.7
113.02477	5.2
119.03503	2.3
125.02391	1.0
127.69141	0.8
131.03455	1.6
134.03740	1.5
146.03790	1.6
147.04553	1.6
149.04578	3.9
159.04527	2.5
160.05286	4.8
172.05293	3.2
173.06056	4.4
174.06837	1.4
175.07564	0.8
186.06874	1.8
187.03984	5.8
191.05673	1.2
201.05679	3.8
202.06363	20.4
211.13467	5.2
267.13541	0.7
283.13422	17.1
299.16531	1.3
301.14465	6.1
309.14987	7.0
320.74738	0.8
327.16003	11.3
333.03949	1.9
345.17004	7.1
363.18039	1.1
437.20193	1.4
507.22357	2.5
523.66522	0.8
525.10339	3.2
525.23395	100.0
526.23682	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	525.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39026	1.0
57.03449	1.5
59.01384	100.0
61.98841	8.5
71.01389	26.9
73.02950	17.7
83.01400	3.7
85.02960	6.5
87.00881	2.7
89.02453	30.2
93.35958	1.0
98.22633	2.3
99.00877	5.8
99.56935	1.0
101.02451	24.6
113.02457	8.3
119.03528	3.8
125.02477	2.1
125.68283	1.2
131.03526	3.4
134.03754	2.0
143.03532	3.0
149.04581	17.8
160.01637	2.0
161.04611	6.2
162.56407	1.2
174.76582	0.9
175.04018	2.0
179.05602	3.6
191.05644	4.1
201.49596	1.1
221.06685	1.6
222.93439	1.2
300.71194	1.0
330.92477	1.1
365.54080	1.1
465.28369	4.2
483.29767	9.7
489.10425	1.7
525.29553	1.5
525.36218	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	525.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
115.73319	82.2
116.82379	90.9
234.70488	94.7
268.18295	87.8
508.17386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.307
Annotation	Lemnaloside C
Peak:m/z	Relative Intensity
55.01880	0.5
57.03450	0.4
59.01384	100.0
60.01733	0.5
61.98839	1.4
62.44861	0.2
69.49876	0.7
71.01387	5.2
73.02949	1.9
75.00046	0.2
75.00883	0.7
83.01380	0.9
85.02961	3.2
85.08189	0.2
87.00895	0.2
89.02479	0.7
95.01411	0.6
97.02998	0.4
98.21906	0.2
99.00903	1.0
101.02448	4.0
111.00974	0.2
113.02455	3.6
125.02463	0.2
127.11440	0.2
143.03494	0.4
151.04062	0.2
159.03044	0.3
161.04590	2.1
163.52744	0.2
171.10359	0.2
179.05681	0.3
211.13431	1.4
289.21713	1.0
301.21906	0.3
307.19247	0.5
313.09390	0.2
321.24341	1.2
325.20401	0.7
327.21896	0.4
430.37027	0.2
465.28610	2.3
483.29709	2.4
525.23505	0.8
525.31305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01384	100.0
60.01733	0.5
61.98832	1.3
66.54531	0.4
69.09897	1.6
69.10321	1.3
71.01395	3.3
73.02959	1.6
83.01421	0.4
85.02981	1.7
87.53062	0.4
89.02460	1.9
92.02585	0.6
98.21959	0.8
99.00905	1.9
101.02460	2.9
102.21258	0.4
102.22924	0.4
113.02464	1.1
117.04604	0.8
118.03002	18.1
119.03340	5.8
134.03773	0.5
142.04120	3.5
143.04469	1.9
144.05736	0.5
149.04556	0.9
161.04517	1.0
168.05685	2.8
169.06071	1.7
212.04596	3.8
213.05049	3.0
226.06271	1.0
227.06549	0.8
270.08005	0.4
458.19672	0.5
468.65408	0.4
483.29745	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	525.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05654	0.2
55.01886	0.4
57.03447	1.4
57.33181	0.3
59.01385	100.0
60.01711	0.4
61.98838	4.6
63.99296	0.3
69.22623	1.3
69.23028	0.6
71.01387	6.2
73.02947	3.1
83.01404	1.1
85.02963	3.3
87.00908	0.6
87.04513	1.6
88.98855	0.5
89.02454	2.6
95.01385	0.7
99.00860	1.2
99.04547	0.9
101.02455	5.0
111.00900	1.3
113.02458	2.5
119.03549	1.0
121.03023	0.4
125.02469	0.8
131.03514	0.6
134.03821	0.7
135.04561	0.4
143.03539	0.6
143.61292	0.2
149.04550	0.3
159.03029	0.4
160.01706	0.4
160.04164	0.4
161.04547	2.8
164.55928	0.2
175.04027	0.6
179.05655	0.5
211.13414	0.8
218.00491	1.1
219.00801	0.5
321.24350	0.3
327.21716	3.4
329.23450	0.4
362.30234	0.3
428.09686	0.4
444.64996	0.3
465.28998	1.2
465.83090	0.3
483.29642	2.3
524.35730	0.4
525.23889	1.1
525.36102	1.4
526.10724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3073
Annotation	Simplexin H
Peak:m/z	Relative Intensity
54.78286	0.2
55.01883	0.5
57.03442	0.7
58.00611	0.4
59.01383	100.0
60.01706	0.5
61.98836	3.4
69.03460	0.6
71.01385	18.4
72.99314	0.5
73.02950	19.8
75.00890	0.4
81.03483	0.5
83.01397	4.9
83.05051	0.5
83.09468	0.2
85.02950	4.6
87.00909	0.9
87.04542	0.3
89.02450	16.6
95.01415	1.1
97.02979	0.5
99.00879	1.5
101.02449	20.4
111.00924	0.5
113.02456	9.4
119.03510	6.4
125.02431	1.1
131.03514	2.3
134.03738	0.3
135.04521	0.3
143.03499	2.9
147.38190	0.2
149.04565	4.4
149.05672	0.3
159.03020	0.4
161.02527	0.4
161.04567	6.3
161.05833	0.4
172.66138	0.2
179.05615	4.8
191.05656	0.6
203.05699	0.6
221.06815	0.9
227.03625	0.7
230.72743	0.3
255.03081	1.1
284.03314	1.4
285.04111	0.5
321.24487	0.9
363.09027	0.4
363.25473	0.4
465.28519	4.4
483.29691	12.9
484.30347	0.7
489.10815	0.9
524.86365	0.7
525.23206	0.4
525.29749	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	525.3072
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
59.01387	100.0
60.01736	0.5
61.98844	1.2
64.46296	0.4
71.01388	2.1
72.27457	0.4
73.02963	0.9
74.19337	0.4
85.02965	1.1
85.48019	0.4
101.02485	1.3
113.02489	0.6
119.97018	0.3
161.04594	0.6
177.09390	0.4
197.11720	0.5
289.18143	0.5
299.83453	0.4
311.11923	0.5
327.21854	0.5
436.14581	0.5
440.57291	0.4
465.28952	2.8
483.29504	1.0
525.31519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43585	100.0
152.77284	92.9
185.96652	86.5
313.17657	80.7
452.27060	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
59.73737	0.2
61.98836	100.0
69.28274	0.8
69.28661	0.4
71.01395	0.6
73.02956	0.3
81.08453	0.2
84.56305	0.2
89.02451	0.8
91.65634	0.2
101.02479	0.5
137.89949	0.2
163.06120	0.3
163.84264	0.2
168.02716	0.2
178.05173	0.4
180.03104	1.0
241.19102	0.2
315.99289	0.4
363.04330	0.6
400.66522	0.3
459.02890	0.3
460.89539	0.3
460.96664	0.2
526.10492	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
59.01388	1.2
61.11430	0.3
61.98836	100.0
69.78277	0.7
69.78625	0.3
71.01407	0.5
89.02493	0.3
119.05054	0.5
135.00938	0.2
144.02150	0.2
162.71506	0.2
193.04944	0.3
195.35954	0.3
432.17889	0.3
526.26355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98837	100.0
63.90780	0.2
65.11703	0.2
69.23740	0.9
69.24146	0.6
71.01383	0.4
72.89219	0.3
73.02967	0.4
89.02437	0.3
101.02460	0.4
181.14851	0.3
251.85568	0.3
268.71976	0.3
361.35498	0.3
403.57007	0.3
463.84598	0.3
527.26270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01386	6.1
60.01720	0.2
61.98836	100.0
63.50573	0.2
69.03445	0.3
71.01384	0.6
71.05036	0.2
71.42216	0.2
73.02978	0.4
83.01396	0.2
89.02464	0.6
99.04525	0.4
101.02470	0.7
104.19798	0.2
113.02457	0.4
119.03652	0.3
121.02941	0.2
125.02459	0.3
134.03671	0.2
146.86766	0.2
211.07959	0.2
211.13353	0.5
212.13873	0.3
217.06500	0.2
218.51003	0.2
221.08276	0.7
278.89215	0.2
305.09024	0.2
327.21967	0.2
374.17358	0.2
377.85321	0.2
481.63892	0.2
526.23938	0.7
526.30768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.6
59.74319	0.5
61.82521	0.5
61.98836	24.0
69.22826	1.8
69.23230	1.0
71.01391	1.6
78.73280	0.5
89.02438	1.0
96.55815	0.5
96.95987	0.9
98.22656	1.0
101.02452	1.3
121.02966	100.0
122.03292	1.7
123.87728	0.5
135.04501	0.4
137.83719	0.5
160.01707	0.5
180.51079	0.5
183.76595	0.5
197.18228	0.5
278.65305	0.5
287.67612	0.5
297.34543	0.6
467.24765	0.7
526.24500	65.4
527.24817	5.7
539.91937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35179	4.6
57.03445	8.0
57.69582	4.9
59.01378	59.8
61.98834	100.0
68.64937	4.2
69.24934	26.4
71.01385	23.4
73.02943	7.7
85.02964	9.8
87.04513	14.5
89.02451	18.1
101.02435	16.8
111.00894	17.3
113.02453	8.5
114.70576	5.3
121.02982	13.2
140.13829	5.8
161.04533	11.8
188.87883	5.3
266.02530	5.6
303.81058	5.3
334.04379	11.0
348.62326	5.7
362.04053	7.5
363.04651	11.4
483.29767	6.5
526.10797	31.6
526.29486	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	526.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79737	87.2
56.45851	75.2
57.27632	75.5
61.98848	74.4
71.40060	100.0
71.80086	68.1
73.19225	72.6
82.11408	67.9
89.15633	69.4
123.77548	79.1
141.85214	74.7
255.23289	98.3
505.09555	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44713	4.2
59.01386	86.8
60.01722	4.5
61.98835	39.4
63.82700	4.5
70.37399	5.5
70.37743	8.4
71.01395	53.5
71.42803	5.2
73.02951	16.9
78.91904	8.1
79.34145	4.5
83.01386	5.3
85.02972	15.5
87.00842	5.9
89.02469	22.9
101.02454	36.3
111.00898	5.9
113.02486	13.7
131.03503	6.0
143.03539	10.9
152.01198	7.4
159.27281	5.7
159.97263	34.8
161.04556	36.0
185.54106	4.5
194.68875	5.1
231.99385	13.8
265.12701	4.9
312.27014	5.5
365.10941	7.0
437.47510	4.9
446.14703	5.9
456.42404	5.6
483.29724	100.0
484.30133	9.9
526.08929	27.5
526.30603	10.5
527.17993	7.0
547.66351	5.0
548.30548	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	527.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45548	0.9
52.23824	0.9
55.01858	1.0
57.03440	1.7
59.01118	1.6
59.01384	20.0
61.71237	1.0
61.98835	24.4
63.96225	1.7
71.01389	16.2
71.42334	1.0
72.99298	1.3
73.02959	6.8
75.00876	3.7
78.98602	4.2
79.95745	8.0
80.96527	60.7
83.01411	2.6
85.02977	9.5
87.00874	3.4
88.70695	1.1
89.02447	5.5
94.62410	1.1
94.98100	14.1
95.01338	1.2
96.95982	2.6
97.02956	2.4
98.60847	1.0
99.00900	1.7
99.04513	1.5
101.02446	10.2
103.92097	1.2
106.98089	3.3
111.00903	2.3
113.02464	4.7
113.06118	1.1
116.92856	2.2
119.03531	1.6
119.05049	1.3
122.97604	3.7
125.02453	3.8
131.03503	1.3
134.97614	5.2
143.03485	1.0
148.99181	5.8
149.06091	2.6
150.06889	30.3
152.98625	4.2
161.04613	3.0
163.04033	1.2
163.07658	4.7
164.08446	3.0
164.98666	12.0
176.08321	1.5
177.05547	1.4
178.09999	2.1
179.10796	8.9
206.99687	3.0
209.11826	3.8
225.00780	15.1
245.11748	1.0
284.03079	1.6
299.04529	3.2
306.18326	9.1
320.20020	3.1
321.20859	14.9
353.52591	1.1
365.19720	5.6
467.24973	14.1
527.17999	100.0
527.25140	43.3
528.18280	6.5
528.25378	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	527.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71012	5.2
57.03456	54.6
59.01385	100.0
61.98836	74.5
70.23234	4.2
71.01374	33.4
73.02950	11.0
83.01390	35.5
85.02959	8.8
87.00893	7.2
88.36436	4.8
89.02455	29.4
96.96059	6.9
98.02466	5.8
99.04529	52.5
101.02451	49.7
102.02743	5.1
113.02445	16.6
119.03487	10.7
125.02444	20.2
128.03526	6.5
141.09375	5.6
155.03551	5.2
161.04579	9.7
176.98662	4.2
221.10303	26.9
263.11246	9.4
267.14523	5.6
271.10852	6.7
296.57935	5.2
305.12335	8.6
305.16104	6.2
347.13248	5.3
365.14566	35.2
365.18423	7.1
383.15594	10.1
398.13965	4.6
467.21280	12.5
527.19012	14.2
527.25513	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	527.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36474	7.8
53.86423	6.4
57.03442	14.1
59.01382	100.0
61.98825	10.6
62.67600	6.7
71.01382	38.9
73.02945	13.6
83.01392	25.1
85.02946	18.3
89.02447	75.8
96.96013	14.8
99.00887	15.5
99.04516	17.8
101.02450	53.7
113.02420	19.8
120.45736	6.7
125.02452	16.5
131.03448	18.2
133.02983	15.9
149.02475	9.8
149.04590	51.4
149.05624	8.5
158.74829	7.2
159.66623	6.4
191.05582	9.2
224.38828	7.0
239.26424	7.2
273.07489	6.4
305.12564	9.4
305.15948	8.7
365.14590	13.4
467.21472	15.1
527.17859	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	527.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29616	8.9
59.01384	100.0
61.50361	9.0
61.98817	32.2
69.29784	43.6
71.01393	16.5
72.15879	9.0
77.54482	8.4
89.02425	13.2
96.96013	15.0
101.02434	12.0
113.02504	10.6
124.01888	8.0
181.93512	9.2
191.05583	9.0
356.25867	10.7
527.10321	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	527.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.1
59.01380	34.2
61.98837	39.9
71.01389	37.7
73.02954	10.7
83.01379	5.8
85.02966	13.4
89.02465	24.3
95.01424	4.3
99.00900	7.3
101.02460	34.9
101.24448	2.9
103.04027	8.8
111.00887	4.9
113.02464	11.0
119.03505	3.8
125.02502	5.2
127.48885	3.0
131.03539	4.3
149.04628	6.0
161.04578	13.1
171.25720	3.1
178.16237	3.2
275.57870	3.0
293.08566	4.0
317.09143	3.1
335.20749	12.9
467.25000	100.0
468.25217	4.8
527.23676	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72607	0.1
55.01873	0.3
57.03450	0.2
58.00608	0.1
59.01381	8.0
59.14133	0.1
69.91643	0.1
69.91959	0.2
71.01385	4.5
72.99290	0.1
73.02956	0.8
80.02707	0.1
81.03466	0.1
83.01383	0.4
83.05016	0.1
85.02961	1.2
87.00882	0.4
89.02448	4.1
91.04000	0.1
94.05786	0.1
95.01374	0.4
95.05033	0.2
97.02930	0.1
97.06598	0.3
99.00873	0.2
101.02452	4.6
103.04056	0.1
109.06573	0.1
113.02459	2.1
113.06055	0.1
119.03513	0.9
119.04990	0.2
125.02440	0.1
125.06102	0.4
127.11279	0.2
131.03500	0.1
141.09248	0.2
143.03511	0.4
147.08214	0.1
148.08942	0.8
149.04665	0.1
149.09700	0.2
150.10530	0.7
151.11311	0.4
157.04970	0.1
161.04565	1.7
163.11267	0.7
164.27513	0.1
165.12852	15.6
166.13173	0.4
175.11281	0.4
176.12071	0.4
177.12837	0.4
179.05576	0.8
179.14427	0.2
191.14464	0.4
202.09897	0.1
217.15945	0.4
229.19612	0.1
235.08282	0.2
245.19087	0.1
247.20677	8.6
248.21022	0.3
253.09294	17.3
254.09631	0.3
255.17603	0.1
273.18619	4.6
274.18863	0.2
291.19669	100.0
292.20013	3.8
292.23492	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	527.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.5
61.98847	0.4
71.01392	4.2
71.34997	0.3
73.02953	0.9
83.01417	0.5
85.02956	1.3
87.00875	0.4
89.02457	3.9
101.02459	4.5
113.02466	1.9
119.03533	0.6
125.06104	0.4
133.32549	0.3
143.03502	0.4
148.08954	0.9
149.09691	0.3
150.10522	0.9
151.11302	0.5
161.04567	1.8
163.11340	0.5
165.12863	14.5
175.11203	0.4
175.36971	0.3
179.05624	0.5
183.36804	0.3
191.14374	0.4
217.15996	0.4
235.08276	0.4
247.20695	8.3
253.09300	16.3
273.18637	4.0
291.19681	100.0
292.20044	4.6
304.45520	0.3
395.17218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
92.37184	91.9
106.00337	92.2
117.10051	91.6
137.36275	84.5
137.75508	99.4
320.55228	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85864	0.1
53.73553	0.1
59.01387	0.4
59.93933	0.1
61.98837	100.0
62.98540	0.1
69.39811	0.7
71.01417	0.4
71.24554	0.1
89.02444	0.2
97.29602	0.1
100.93309	0.1
101.02483	0.2
105.18005	0.1
105.37213	0.2
113.02455	0.2
118.26917	0.1
142.60153	0.1
175.09750	0.1
225.38602	0.1
227.19229	0.2
405.84875	0.1
530.09845	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	528.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
59.06290	0.2
61.98837	100.0
69.83759	0.3
71.01386	0.4
73.02948	0.4
74.33956	0.2
87.00931	0.3
88.98829	0.3
89.02451	0.5
97.46832	0.2
101.02461	0.4
238.84579	0.2
282.41479	0.2
294.98123	0.2
343.52985	0.2
507.33298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32698	2.3
59.01379	49.7
61.98505	4.9
61.98833	100.0
63.46914	2.2
64.78706	2.1
66.95801	1.9
71.01385	34.8
71.45409	2.6
72.99290	2.2
73.02950	9.0
83.01395	2.3
85.02946	8.7
89.02456	54.3
89.64453	2.1
101.02441	31.8
113.02460	8.9
119.03506	7.3
125.02529	2.2
131.03496	25.9
149.04561	68.5
150.83234	2.4
152.45682	2.2
161.04581	2.7
191.05658	14.0
342.84589	2.3
437.25760	2.2
485.23965	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	528.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54547	0.8
59.01380	6.0
60.04102	0.8
69.22204	3.5
69.22608	1.3
69.27071	0.9
71.01378	2.0
71.22387	0.7
75.83439	0.7
85.02223	0.7
89.02451	2.4
93.14687	0.8
94.63701	0.8
98.21803	0.9
101.02471	3.1
113.02420	1.5
119.03516	0.8
131.19038	0.9
158.95706	0.9
161.04543	1.5
219.96288	0.8
226.05322	0.9
235.08197	1.8
249.18607	100.0
250.18944	4.1
253.09329	16.4
369.57736	0.8
462.24527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.0
59.67838	2.1
59.68149	1.5
61.38371	1.4
61.98803	2.5
63.28234	1.4
70.63531	2.6
71.01370	1.9
82.29237	1.6
95.65928	1.5
101.02441	2.3
111.25137	1.8
126.29362	1.7
142.16356	1.5
168.82123	1.6
188.38525	1.3
221.85979	1.3
224.18425	1.5
237.84937	1.5
240.77702	1.7
249.18619	100.0
250.18942	4.6
253.09355	13.6
282.50052	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	528.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82536	0.6
59.01384	100.0
60.54979	0.6
61.98835	2.7
69.50395	1.1
73.02960	0.6
75.36223	0.7
89.02478	0.7
95.63036	0.5
133.45607	0.5
197.04596	1.0
267.65939	0.7
306.17017	0.9
356.18744	1.5
400.21558	1.7
404.24634	0.9
406.22516	1.3
418.22668	1.5
432.24197	3.3
450.25159	8.3
468.26007	13.2
469.26511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53979	0.3
59.01382	100.0
61.98838	1.4
69.35383	1.7
70.07741	0.3
71.01394	1.2
72.01822	0.3
73.02954	0.4
89.02447	0.8
98.54389	0.3
101.02469	1.0
110.75536	0.4
113.02506	0.3
235.11900	0.4
309.24472	0.4
367.16187	0.7
418.22232	0.8
456.13675	0.4
473.46432	0.4
528.27667	0.6
529.21979	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.7
62.09744	0.5
65.90394	0.5
67.01894	12.9
68.06482	0.5
68.42451	0.4
70.94411	1.0
73.02958	0.7
81.03508	0.8
83.87508	0.6
95.28221	0.6
99.04531	5.1
110.89914	0.8
111.00887	100.0
112.01238	1.4
143.03506	62.0
144.03912	0.6
154.99869	1.1
187.02592	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	529.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03439	2.9
58.00591	1.4
59.01385	89.0
60.01717	1.3
61.98837	5.6
64.07479	0.8
65.17426	0.8
69.03452	1.1
71.01389	59.9
72.99313	2.8
73.02953	17.5
75.00863	1.1
77.05298	0.9
83.01402	8.4
85.02462	1.6
85.02958	23.1
87.00887	9.0
89.02452	49.3
95.01405	4.4
96.96014	2.3
97.02962	3.6
98.22667	2.8
99.00904	5.2
101.02450	54.2
103.00371	3.9
106.36025	0.8
111.00880	1.6
113.02459	25.2
115.04005	1.2
119.03514	22.5
119.04897	1.1
121.02956	6.6
125.02466	5.5
129.01926	1.1
130.99860	3.1
131.03506	4.3
135.04553	1.1
143.03520	6.8
149.04527	3.3
159.02966	2.4
161.04585	13.7
161.08066	1.2
163.04030	1.9
179.05643	12.8
191.05705	1.1
193.05267	0.9
215.05652	1.5
231.02754	2.3
233.06618	1.2
235.11877	29.7
236.12151	1.0
253.03549	4.1
293.08835	1.5
337.18689	1.9
349.15240	1.9
367.16089	54.7
368.16312	2.7
378.94189	1.0
397.17224	13.5
469.23126	3.4
507.32968	1.0
529.21387	100.0
530.21753	5.7
538.42554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01388	32.5
61.98826	12.0
69.45600	3.4
69.46002	2.6
71.01388	25.0
71.05029	4.8
72.99306	1.4
73.02969	4.0
83.01403	2.7
85.02964	7.5
87.00875	2.5
89.02456	18.6
96.96030	1.4
97.02966	1.6
99.00893	2.8
99.04535	13.4
101.02457	15.1
111.37608	1.1
113.02457	8.8
115.04034	4.2
115.07689	1.7
117.05591	11.4
119.03529	7.8
125.02451	2.3
135.04590	1.3
143.03546	2.6
161.04565	5.2
161.08226	100.0
173.04532	3.2
179.05653	6.1
218.03317	1.2
235.11847	8.0
235.25752	1.1
367.16138	11.0
529.14117	2.2
529.21442	21.1
530.22333	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	529.2658
Annotation	Pharboside E
Peak:m/z	Relative Intensity
52.05296	0.9
55.01881	5.3
57.03455	6.2
59.01384	58.6
61.98827	2.6
63.95285	1.0
69.03448	2.9
69.11660	4.1
69.12074	2.0
71.01389	91.5
72.99321	1.3
73.02950	37.0
75.00868	2.5
81.03467	1.5
83.01384	7.8
83.15699	0.9
85.02956	37.9
86.00069	1.5
87.00891	5.3
89.02451	48.3
95.01389	6.4
97.02981	5.5
99.00886	15.8
99.04470	1.0
101.02451	56.4
103.55932	0.9
107.27229	1.0
111.00909	2.4
113.02457	31.8
115.03966	2.8
119.03509	11.2
125.02467	6.4
129.01944	1.6
131.03517	9.4
143.03516	6.0
147.11818	19.9
149.04568	22.5
159.02992	4.2
159.06604	10.2
161.04568	36.4
179.05637	9.4
187.28114	1.0
191.05620	4.6
198.88156	1.1
211.83719	1.1
216.65318	1.1
217.15933	1.2
221.06621	1.4
233.06642	4.1
249.09804	9.2
251.07719	2.3
253.09055	2.0
293.08887	2.5
293.17566	3.3
381.14008	11.1
397.22333	17.2
529.26569	100.0
530.26935	4.0
530.38025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01382	9.5
61.98827	0.7
69.10793	1.2
69.11209	2.4
70.55347	0.5
71.01389	5.7
73.02937	1.2
83.01401	0.8
85.02966	1.7
87.00876	0.9
89.02455	6.0
101.02455	5.4
113.02463	3.1
119.03541	1.6
125.55729	0.6
128.63893	0.5
143.03502	1.0
148.08847	0.6
161.04568	2.1
179.05603	0.9
179.14514	0.8
195.13924	7.1
196.14662	1.6
223.13429	5.3
237.95239	0.6
253.09300	30.9
256.13184	1.3
275.20206	6.0
293.21259	100.0
294.21643	4.5
492.21921	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	530.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32268	2.5
55.01855	2.7
57.03453	4.6
58.94123	2.8
59.01384	34.2
61.98842	25.4
62.67082	2.5
66.88575	2.8
67.64331	2.3
69.68391	11.4
71.01385	18.2
73.02940	6.4
83.01371	3.0
85.02964	7.6
87.00898	5.2
88.98824	7.6
89.02454	15.0
93.03474	4.2
96.95999	3.0
98.22598	3.5
99.04552	8.3
101.02471	12.2
107.65220	2.5
111.00912	3.0
113.02459	7.0
119.03514	4.3
127.81184	2.5
133.01712	24.3
134.02518	20.1
135.00923	3.1
141.05594	2.6
142.08775	3.0
146.04431	2.9
148.03987	4.2
159.04305	2.5
160.04105	5.4
161.04501	5.5
162.05658	5.8
173.48669	2.4
180.03027	54.3
191.05624	11.9
206.04645	3.6
240.02995	4.3
241.01518	5.2
241.03851	10.1
242.02267	6.1
255.02901	3.6
256.06177	4.8
260.28851	2.9
284.02142	6.3
285.02853	24.6
286.02948	2.9
296.07846	3.8
299.04327	4.5
300.05243	14.3
307.18805	3.0
316.04630	19.9
331.06964	20.6
332.07788	34.5
339.05222	7.4
399.24149	4.3
447.07980	5.0
462.10294	15.4
494.13095	100.0
495.13269	5.2
498.16302	11.0
531.28302	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	530.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41518	3.0
53.40134	3.2
57.03461	100.0
59.01390	62.6
61.98842	20.3
68.01411	7.9
71.01391	55.7
73.02956	18.7
81.03456	6.8
83.01389	4.5
83.75878	3.3
85.02965	26.3
85.47865	3.3
89.02460	14.6
89.79539	2.9
93.03471	11.0
95.01451	3.8
99.00889	7.3
99.04538	96.7
101.02462	59.8
104.61581	3.1
110.02483	8.6
111.00887	6.1
113.02497	20.0
113.03137	3.4
125.02463	65.8
126.02840	4.0
131.03476	3.6
137.37550	2.9
143.03531	7.5
149.04510	3.6
159.02979	6.5
161.04584	68.8
188.05652	11.1
223.06360	4.0
227.07205	12.0
230.06747	11.0
239.07274	22.9
250.08777	9.5
255.03024	5.2
267.06830	4.4
281.08148	7.6
284.03171	3.8
300.02441	3.5
368.11591	5.8
386.12320	4.0
447.97781	3.8
528.07867	3.6
530.27039	17.2
531.11115	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	530.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98837	100.0
63.77387	0.2
69.19099	1.4
71.01407	0.7
85.02986	0.3
85.98784	0.2
89.02445	0.4
104.16680	0.2
121.02970	0.4
197.97784	0.3
227.03676	0.3
255.03128	1.0
284.03375	1.6
285.04141	0.5
530.27521	0.5
531.11572	0.3
531.28534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01703	0.7
61.98836	1.5
66.16080	0.3
67.98440	0.3
70.04937	0.5
70.05270	0.9
71.01392	0.6
78.47673	0.3
87.00875	0.4
98.21845	0.5
101.02493	0.4
108.84400	0.4
111.00911	0.4
128.51584	0.3
141.53223	0.4
147.06654	0.8
161.04558	0.4
164.07195	0.6
167.03481	0.5
175.02611	0.4
292.52029	0.4
358.16693	0.4
402.19424	0.8
420.20392	3.5
438.21573	1.6
470.24203	0.5
530.26276	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	530.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35343	0.4
59.01384	100.0
60.01725	0.8
61.98835	0.7
69.21033	2.3
71.01438	0.4
114.22379	0.4
160.04027	0.4
222.00616	0.4
231.06529	0.4
235.84703	0.3
358.16644	0.7
378.02979	0.4
402.19455	1.7
406.19159	0.4
420.20212	3.1
438.21271	1.9
470.23990	0.5
530.26007	4.0
530.32678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59366	0.4
59.01384	2.1
60.42144	0.3
61.98835	100.0
67.86390	0.4
69.33533	2.0
71.01384	1.6
73.02934	0.4
85.02959	0.6
89.02464	1.0
89.43377	0.4
101.02490	0.7
113.02501	0.4
149.04562	1.0
153.64575	0.4
161.04652	0.5
191.05675	0.4
191.69400	0.4
227.03653	0.7
255.03128	1.4
284.03369	1.2
285.04242	0.5
299.01947	0.6
427.28394	0.5
531.11877	0.7
531.28162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00994	1.5
59.01368	2.7
61.98847	2.1
70.74812	1.4
71.01405	2.0
84.87250	1.4
97.08974	1.5
98.21819	3.9
104.45330	1.7
119.03527	1.8
122.51194	1.5
195.43532	1.6
231.80919	1.5
235.08258	3.1
251.20189	100.0
252.20554	3.8
253.09340	12.1
352.86667	1.6
531.93573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80804	1.2
60.13420	1.1
78.95911	21.3
92.05001	1.2
95.43987	1.1
116.78833	1.5
137.04265	1.3
152.90613	1.1
152.99557	2.4
160.15921	1.2
168.04398	2.9
224.06993	6.9
255.23314	100.0
256.23672	3.7
480.30997	61.8
481.31122	3.5
516.14935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15681	0.3
52.29861	0.3
61.98816	0.9
73.02935	0.5
83.01402	0.7
85.02949	0.3
89.02408	0.3
91.47594	0.3
95.48401	0.3
101.02446	0.7
107.01397	1.1
109.03051	0.3
121.02961	0.4
125.02455	0.6
132.02211	0.5
135.00912	0.4
151.00404	1.6
157.06670	0.3
159.04469	0.5
163.00372	0.4
174.03108	0.4
175.04015	0.4
183.04538	2.4
185.02516	0.6
187.03923	0.5
195.04668	0.3
199.04005	0.5
210.02972	0.3
211.03905	2.2
227.03502	83.3
228.03806	2.4
229.05103	0.9
239.03412	0.5
255.02989	100.0
256.03647	9.5
257.04465	0.6
261.98157	0.3
283.02380	0.3
284.03271	68.9
285.03986	12.8
286.04379	0.5
299.05847	0.4
327.05042	1.7
471.09415	0.6
489.10477	1.3
531.11462	93.3
532.11768	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	531.1148
Annotation	Bidenoside A
Peak:m/z	Relative Intensity
55.56093	0.7
57.71856	0.7
69.08807	5.3
73.06763	0.6
74.07689	0.7
74.51332	0.7
75.04099	0.7
82.55551	0.9
99.99158	0.7
104.91655	0.7
107.01400	2.0
128.00397	0.8
130.32404	0.8
151.00348	2.0
159.04546	1.2
164.01190	0.8
183.04523	2.4
185.02426	0.9
187.03949	1.2
188.45592	0.8
196.05205	0.8
200.04913	0.8
211.04050	2.8
227.03525	52.3
228.03954	1.6
229.05043	2.7
253.52513	1.0
255.03008	86.9
256.03632	6.2
257.04547	1.0
269.04645	1.4
283.02567	6.7
284.03302	100.0
285.04065	53.7
286.04361	1.7
317.88693	1.0
380.58374	0.8
411.07358	1.8
471.09543	8.7
471.68909	0.8
489.10553	0.9
531.11505	38.7
532.12012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14147	0.3
63.02408	0.4
65.00347	0.7
66.16901	0.2
70.51116	0.4
70.51463	0.2
74.06490	0.2
75.66373	0.2
83.01390	0.4
85.02997	0.3
89.02383	0.3
93.03471	0.6
98.22541	0.2
101.02425	0.3
107.01410	1.3
109.02962	0.4
115.01634	0.2
117.03468	0.3
132.02208	0.9
135.00879	1.3
137.02463	0.4
145.03018	0.3
147.00856	0.3
151.00404	2.1
155.05038	0.3
159.04538	0.5
163.00372	0.7
164.01239	0.4
171.04553	0.5
172.05238	0.3
178.99915	0.4
182.03789	0.4
182.19446	0.3
183.04485	3.0
185.02496	0.7
185.06123	0.7
187.03891	0.4
190.99805	0.4
194.50127	0.3
197.06094	0.3
199.04031	0.7
200.04807	0.5
200.47348	0.2
211.03978	2.6
212.04790	0.4
213.01883	0.5
213.05536	0.3
213.24170	0.2
215.03429	0.4
220.69534	0.2
226.02672	0.3
227.03513	47.4
228.03943	2.0
229.04988	1.4
239.03510	0.9
241.04984	0.3
253.05145	0.3
255.02997	81.9
256.03619	5.9
257.04547	1.1
267.02969	0.3
268.03864	0.3
269.04605	1.8
283.02499	14.0
284.03275	100.0
285.04001	25.0
285.07364	0.5
286.04468	0.7
323.05453	0.3
339.05423	0.3
366.21198	0.3
411.01755	0.5
411.07230	8.2
412.07645	0.3
429.08313	4.6
430.08478	0.3
471.09360	6.8
472.09674	0.3
489.10370	1.7
531.11462	35.2
532.11871	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	531.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.8
61.98839	3.2
71.01381	5.6
72.21068	0.7
73.02945	1.1
76.27673	0.7
85.02966	3.0
89.02452	3.9
96.96017	0.9
100.93406	1.1
101.02451	4.8
111.00890	1.0
113.02513	1.0
115.92085	1.2
116.02313	0.7
116.92853	1.3
117.03480	18.9
117.04291	1.5
119.05056	5.2
125.02466	0.9
129.02029	0.8
131.03505	0.9
145.02969	100.0
146.03319	2.3
149.04565	1.7
150.13101	0.7
161.04530	0.9
163.04034	9.0
173.04521	0.9
175.04073	1.0
175.11313	6.7
191.05623	2.6
203.04468	0.8
204.15523	0.8
369.11920	72.8
370.12198	2.6
531.21497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2813
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
55.01880	4.1
57.03446	4.0
58.00603	1.0
59.01386	98.8
59.38268	0.8
61.98840	1.9
69.03453	3.6
71.01389	100.0
72.01713	0.9
72.99318	2.4
73.02954	34.2
75.00874	2.5
80.61522	0.8
81.03469	2.0
83.01393	9.4
85.02961	24.7
86.00096	2.7
87.00884	7.7
87.04536	1.5
89.02453	95.7
90.42685	0.9
95.01398	4.3
97.02966	6.4
99.00890	31.2
99.04530	1.2
101.02451	69.5
101.06059	1.7
111.00871	1.6
112.01659	1.1
113.02458	27.3
115.04026	4.7
119.03518	12.0
125.02457	11.6
129.01981	1.2
131.03523	16.0
138.54807	0.9
140.52495	0.8
143.03532	6.5
149.04572	49.7
149.13350	3.3
159.02969	4.0
159.06639	10.6
161.04579	27.5
179.05586	7.1
191.05634	12.9
221.06787	1.1
227.03516	2.4
233.06676	11.2
249.09805	8.3
251.07677	4.9
255.03017	3.3
284.03339	2.2
285.04010	1.8
293.08771	6.2
364.14081	0.9
381.14056	13.2
399.23846	19.6
400.24142	1.1
531.11176	1.9
531.28131	56.4
532.28528	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	531.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03458	5.3
59.01386	54.8
61.98838	13.0
69.03455	1.4
69.54325	0.7
71.01390	28.3
71.05006	0.9
71.42482	0.9
72.99295	0.8
73.02960	7.9
75.00858	1.3
83.01396	5.4
83.05041	2.7
83.92670	0.7
85.02960	12.4
87.00887	1.4
87.04515	1.6
89.02455	20.5
95.01393	1.7
97.02979	0.8
97.06571	0.7
99.00897	1.9
99.04514	2.6
101.02453	20.9
111.00875	1.8
113.02467	16.7
119.03525	8.9
119.04992	0.7
120.68852	0.8
121.02943	0.9
125.02454	2.1
131.03514	1.3
137.09709	0.9
143.03548	2.0
145.02919	1.3
147.11780	1.1
149.04652	1.7
159.03038	1.0
159.10176	1.3
160.01720	0.9
160.04095	4.5
161.04555	3.8
163.04106	1.0
171.45883	0.8
179.05582	2.2
227.03520	10.6
255.03008	18.7
256.03577	0.9
284.03296	25.0
285.04053	7.9
321.15817	0.8
351.21695	1.5
369.22864	1.1
423.14926	0.9
471.25983	1.1
489.10287	1.1
513.26801	3.6
531.11530	11.3
531.28192	100.0
532.18231	0.8
532.20782	0.9
532.28577	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	532.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01387	9.4
61.98832	9.6
62.50515	0.4
69.85744	0.9
69.86091	1.3
70.64590	0.5
71.01382	4.0
71.48343	0.4
73.02959	2.0
75.00858	0.5
83.01407	1.1
85.02953	2.2
87.00873	0.6
89.02458	2.6
95.40041	0.5
97.06625	0.6
98.22002	0.9
99.04517	0.8
100.02213	0.5
101.02455	3.3
113.02463	1.7
119.03485	0.8
121.02983	4.5
122.03323	1.6
128.73479	0.5
134.03789	0.7
135.04475	0.9
160.04015	0.7
161.04492	0.5
175.04027	0.6
182.76372	0.5
227.03601	0.7
228.03885	0.7
240.04242	1.4
247.13043	0.5
252.04277	0.9
254.05850	1.6
255.02963	1.4
255.06712	2.9
256.03369	1.8
267.06720	3.4
268.03796	2.1
269.08304	0.6
280.03815	1.2
282.05377	1.1
283.06082	10.2
284.03323	1.8
285.03787	2.4
286.04248	0.7
295.06125	7.4
296.06171	0.8
297.07385	2.8
298.08539	6.8
309.06641	1.3
310.08527	8.2
311.08578	0.7
312.08746	2.7
324.05212	1.4
325.05963	10.3
326.10123	0.6
339.07520	1.6
340.08292	34.4
341.08621	1.1
354.09970	1.9
355.10629	48.9
356.11041	2.3
370.12973	100.0
371.13223	3.8
472.29147	0.6
531.28235	2.6
532.11249	1.5
532.18384	8.6
532.28558	5.3
533.18481	0.8
533.29608	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	532.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06767	5.2
59.01377	6.3
61.98838	8.4
62.68545	4.6
69.21800	30.3
76.95142	4.2
78.95918	5.8
114.86095	4.7
121.02949	8.0
149.06097	5.1
209.98035	4.9
237.14651	5.3
253.09277	16.5
253.21722	100.0
312.18253	6.0
503.33691	5.0
552.40051	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	532.982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40372	1.0
59.01387	65.4
59.61661	1.2
63.39434	1.2
69.65359	3.4
69.65762	1.9
73.92970	1.1
85.30773	1.1
98.21931	2.4
112.92342	1.3
128.89198	2.1
130.88956	2.3
132.88684	1.7
132.98164	1.8
144.86948	3.5
146.86652	5.3
148.86360	1.7
154.93416	1.1
168.91339	1.3
174.99272	32.5
200.94836	1.1
217.00319	100.0
273.70135	1.2
366.87375	1.4
374.99249	64.6
375.99597	2.0
400.73532	1.2
412.96808	3.7
439.82770	1.1
472.13010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08476	0.7
59.01387	12.7
61.98828	2.7
62.43632	0.7
69.35615	3.4
69.41798	0.6
71.01390	9.7
73.02958	2.9
74.39859	0.8
75.00874	1.0
81.85730	0.6
83.01392	1.1
85.02956	5.1
87.00877	1.1
89.02449	7.9
93.03444	1.0
99.00895	1.3
101.02436	7.3
102.60306	0.7
109.02955	1.1
113.02448	4.4
116.92836	2.5
117.03476	3.8
119.03503	2.3
119.05023	1.0
123.04526	0.7
125.02528	0.9
125.06091	0.9
131.03508	1.2
135.04535	2.1
143.03473	1.0
143.07129	2.6
149.04576	2.0
149.05943	0.8
159.04468	0.9
161.02443	3.0
161.04599	3.1
161.06033	1.0
163.03961	0.9
165.05612	0.9
175.03967	1.7
177.05591	0.8
179.05644	4.0
189.01947	1.2
191.03487	2.0
203.03461	1.0
205.05118	1.0
221.06636	1.2
224.08496	0.8
268.07428	1.2
275.53009	0.8
281.04547	1.4
282.05362	1.7
283.06119	3.4
295.06174	4.3
296.06924	4.0
297.07703	16.1
307.06006	2.1
309.07523	1.8
311.05630	3.4
323.05533	4.1
325.07196	8.4
328.06036	1.4
335.05585	1.5
337.07178	3.1
341.06567	0.9
353.06644	32.1
354.07056	2.6
355.08246	2.3
365.06644	6.0
367.08438	0.8
383.02795	1.4
383.07758	25.4
384.08374	1.6
387.20435	2.2
388.68243	1.0
395.07733	2.5
407.07800	1.9
413.08835	4.2
425.08960	2.1
443.09860	18.3
455.09723	1.6
464.80264	0.7
473.10977	5.7
515.11926	2.3
533.13025	100.0
533.26105	3.3
534.13245	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	533.1305
Annotation	6,8-Di-C-alpha-L-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
57.33762	0.6
59.01381	19.4
61.98834	2.5
63.72590	0.5
69.28209	2.6
71.01024	0.8
71.01388	11.4
73.02962	2.5
79.01881	0.5
83.01374	0.9
85.02959	4.3
87.00872	2.0
88.98813	0.7
89.02450	11.4
93.03458	1.3
94.45622	0.6
95.01382	1.0
99.00868	1.3
101.02445	6.7
101.71584	0.5
111.00890	9.1
112.01199	1.3
113.02461	3.8
114.01966	1.2
115.00340	1.5
117.03461	3.9
119.03500	4.1
119.04990	1.1
121.02968	1.1
122.03709	0.7
123.04485	0.5
125.02480	0.8
129.01871	0.7
131.03511	0.8
133.02994	0.8
135.04553	2.4
137.02321	0.5
139.31660	0.4
143.03477	1.8
143.04817	0.5
147.04506	1.4
149.02484	3.4
149.04482	1.4
150.03220	6.0
151.03947	0.7
159.04485	0.6
160.04021	0.5
161.02426	2.4
161.04535	1.9
163.04022	1.2
164.04779	1.0
165.05623	4.7
175.03961	2.3
176.04733	0.7
177.01898	1.0
177.05595	0.8
179.03496	0.6
179.05569	2.0
179.07138	1.3
185.02397	0.8
187.03941	0.8
189.01802	0.9
189.05493	0.8
189.07077	0.7
191.01984	0.7
191.03444	1.1
191.05600	1.1
193.04987	0.6
195.06641	1.9
202.43616	0.7
203.03450	1.0
205.04869	0.6
211.79472	0.5
221.04521	1.1
222.07414	0.6
223.06105	1.0
224.08531	0.6
233.04555	1.2
251.07309	0.7
253.08662	1.2
267.06628	0.6
268.07330	0.6
281.04446	1.2
282.05344	1.5
283.06061	3.2
290.10132	0.6
294.10037	0.6
295.06097	5.4
296.06891	3.3
297.04263	0.9
297.07678	14.7
307.06036	2.0
309.07587	2.6
311.05759	3.4
311.08829	0.7
323.05508	3.9
324.06464	1.0
325.07187	7.3
328.05942	2.2
335.05670	1.1
337.07214	3.9
341.06509	0.9
351.05103	0.9
353.06674	26.5
354.07123	1.3
355.08038	1.4
356.05289	1.4
365.06573	5.9
377.06674	0.7
378.09012	0.6
379.08221	0.6
383.07748	24.8
384.07932	1.2
387.20190	2.2
395.07895	3.0
397.09180	0.8
407.07855	1.4
413.08673	4.1
425.08679	1.7
443.09869	13.2
455.10068	1.5
473.10910	5.8
515.11957	2.3
533.13013	100.0
533.26202	3.7
534.14227	6.7
542.25671	0.7
552.21246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76522	0.6
54.89670	0.6
57.03444	1.6
59.01385	12.8
61.98829	1.0
69.13268	2.7
69.13683	1.6
71.01391	8.3
73.02946	3.1
74.02501	1.0
75.86536	0.7
80.91689	3.2
82.95425	3.0
83.01383	1.5
85.02946	1.9
87.00913	0.8
89.02453	4.5
93.03461	1.5
95.01383	0.9
99.04564	1.0
101.02453	6.5
113.02452	2.5
117.03451	6.6
119.03520	1.3
119.05048	1.1
121.03046	0.6
125.02454	0.8
135.04538	2.0
143.03514	0.8
145.02945	1.4
147.04463	1.1
149.02455	1.6
149.04515	1.0
150.03212	0.7
159.04570	1.1
161.02415	2.9
161.04575	2.9
163.03987	2.2
163.39276	0.7
165.05524	0.9
165.09253	1.3
166.84088	0.6
175.04015	2.1
177.01881	1.5
177.05624	2.1
179.05699	1.7
180.10341	2.3
189.01816	1.0
191.03534	1.5
196.05367	0.7
203.03516	1.6
205.05157	1.0
209.08192	1.8
251.07152	0.8
254.15149	0.7
267.06537	1.1
268.07416	1.3
281.04581	1.4
282.05411	2.0
283.06128	4.2
293.04526	1.0
295.06119	5.4
296.06894	3.8
297.07712	17.8
298.08029	0.8
298.14017	1.6
307.06097	2.7
309.07700	2.2
311.05679	3.8
321.03995	1.0
323.05707	4.2
323.09030	0.8
324.06558	1.2
325.07153	9.5
328.05792	1.9
335.05447	1.7
337.07138	3.7
351.04971	0.7
353.06689	35.9
354.07037	1.1
355.08163	1.9
356.05322	1.2
365.06689	7.0
379.08136	1.3
381.06223	0.8
383.07782	25.3
384.08026	0.8
389.18118	1.3
395.07535	3.1
398.94421	0.7
407.07874	1.2
413.09036	3.6
425.08783	2.9
431.19360	0.9
443.09885	15.7
444.10287	0.9
455.09753	1.4
473.10947	8.2
489.20111	1.8
515.11945	2.0
533.13055	100.0
534.13141	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	533.1935
Annotation	BGT-226 free base
Peak:m/z	Relative Intensity
59.01387	3.5
62.15124	2.4
73.13499	2.2
78.03495	8.3
91.37811	2.1
96.95995	2.5
106.03011	20.4
107.03774	7.2
122.06110	2.8
132.03337	4.1
133.01692	24.6
134.02483	6.4
146.02449	3.4
148.04044	9.3
150.01974	20.6
151.04045	4.7
153.65529	2.6
165.04326	22.7
166.05124	8.3
176.02290	9.7
176.38229	2.2
177.00737	21.8
177.03111	11.3
189.03075	6.9
191.04622	5.5
192.03052	65.0
217.00310	4.2
267.06573	4.0
279.06088	2.4
281.07074	4.5
294.07892	8.7
296.09351	20.6
309.10056	8.6
311.11624	11.0
324.12604	4.2
324.53549	2.4
326.13980	6.8
501.16602	4.2
518.16956	6.6
533.19348	100.0
534.19830	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	533.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50389	0.4
59.01382	5.8
60.01712	0.8
61.01806	0.7
61.98835	100.0
62.96405	0.3
65.24677	0.4
69.14347	0.8
69.14750	1.6
71.01391	0.8
73.00829	0.4
74.85652	0.3
85.02968	0.4
85.47174	0.4
89.02484	0.8
96.96067	0.5
135.04564	0.5
160.04068	0.4
179.05690	0.7
190.61693	0.4
199.15782	0.4
203.08310	0.8
217.00375	1.1
247.09723	0.9
374.99448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67183	0.7
55.75082	0.6
57.03376	1.2
57.03602	0.7
59.01267	17.7
59.01601	6.0
61.98731	1.6
61.99065	1.0
63.24347	0.6
63.37978	0.5
68.89009	0.5
71.01262	6.0
71.01678	1.2
73.02831	2.9
73.03271	1.1
74.02864	0.5
75.00772	0.9
79.34903	0.6
83.01283	1.5
84.95034	0.7
85.02831	3.7
87.00773	0.9
89.02312	2.7
98.22677	1.3
99.00775	0.8
101.02313	6.3
101.03017	1.5
111.00765	0.9
113.02303	3.9
113.21276	0.5
119.03422	1.0
119.83414	0.5
122.94918	0.6
123.96521	0.5
139.14951	0.6
143.41183	0.6
161.04463	1.3
164.50726	0.6
184.13083	0.6
197.02136	1.2
239.27397	0.5
271.20694	4.7
287.20221	0.9
289.21707	2.5
298.41425	0.7
317.21204	4.0
335.22305	100.0
336.22647	5.3
353.23331	1.4
474.30765	9.2
492.31888	1.4
515.28528	0.9
533.13159	0.7
533.30188	23.2
534.31030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03452	1.5
58.00604	1.0
59.01387	100.0
60.01725	0.5
69.03452	0.4
69.32697	0.6
69.33109	1.1
71.01391	52.5
72.01701	0.4
72.99315	1.7
73.02958	3.7
83.01399	2.9
85.02963	11.6
87.00889	2.8
89.02456	73.2
90.02789	0.6
95.01398	3.8
97.02969	0.5
99.00873	1.8
101.02457	31.9
111.00891	0.4
113.02465	23.3
116.05073	1.0
119.03519	32.1
125.02438	0.8
131.03520	3.6
136.21431	0.4
143.02542	0.5
143.03519	5.7
144.25520	0.4
149.04578	4.8
159.03209	0.8
160.04063	30.9
161.04553	6.5
166.05020	0.4
179.04085	0.7
179.05640	12.6
180.05927	0.4
189.58438	0.3
191.05634	0.7
204.02995	1.5
235.40820	0.3
249.77176	0.4
341.52634	0.4
366.08484	1.8
475.59927	0.4
533.14056	3.1
533.26251	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	533.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14598	0.3
53.75694	0.3
55.01881	1.9
57.03456	3.4
58.00594	1.4
59.01386	100.0
60.01725	0.6
61.98832	0.7
67.01902	0.3
69.03459	3.8
69.24207	0.6
69.24615	1.1
71.01389	55.6
71.05031	0.7
72.01733	0.5
72.99310	2.5
73.02954	27.3
75.00899	0.5
79.01880	0.3
81.03473	2.1
81.07126	0.3
82.95419	0.6
83.01397	9.4
83.05033	2.4
84.02174	0.4
85.02957	20.5
86.00105	0.6
87.00887	5.0
87.04532	1.7
89.02454	46.8
90.02756	0.4
95.01405	3.0
97.02955	6.1
99.00898	3.2
99.04535	0.6
100.10068	0.3
101.02455	54.8
102.02811	0.9
103.04021	20.0
104.04314	0.3
107.05038	0.7
109.02953	0.6
111.00899	0.6
113.01851	0.2
113.02458	15.4
115.04031	4.3
119.03518	19.1
121.06604	1.2
121.10242	0.8
123.08177	19.4
124.08547	0.6
125.02461	16.3
126.02843	0.4
127.04052	1.9
129.01871	0.3
131.03519	4.4
137.09738	9.7
138.06874	0.9
143.03520	8.5
145.05080	4.5
145.10268	0.4
149.04585	2.2
153.09235	1.3
155.08720	0.5
155.10774	0.5
159.02980	1.6
161.03229	0.6
161.04575	13.5
163.06142	25.7
163.11305	18.9
164.06325	0.4
164.11644	0.7
171.11713	1.6
173.09743	1.8
179.05614	6.5
187.06154	0.5
189.12880	28.1
190.13260	1.1
191.05692	0.9
193.62352	0.3
203.10748	0.3
205.07201	8.9
207.13931	37.9
208.14291	0.8
225.14984	6.7
226.15254	0.5
228.63904	0.3
229.07240	1.6
233.10274	0.8
247.08270	6.9
247.56210	0.3
265.09277	1.1
289.09296	0.4
294.04083	0.4
295.04599	0.5
305.41223	0.3
307.10352	4.2
333.36560	0.3
369.19107	0.8
373.43597	0.3
379.15869	0.4
387.12326	0.3
387.20294	6.7
388.20578	0.8
406.67825	0.3
515.24994	0.9
533.26123	17.7
534.26111	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93616	1.4
55.01877	3.8
57.03443	6.6
57.71315	1.4
59.01385	71.6
61.98837	47.6
69.03463	1.9
71.01386	35.9
71.05019	2.4
72.99322	1.5
73.02958	10.8
76.38229	1.4
77.59736	1.5
81.03457	3.0
83.01411	3.7
83.05030	15.8
84.02158	1.5
85.02956	11.6
87.00889	4.7
89.02454	29.6
95.01389	3.1
95.05053	3.5
97.02927	2.2
97.06600	7.9
99.00880	3.6
99.04543	6.2
99.08174	3.4
101.02457	33.1
109.02941	1.7
109.06602	6.3
110.03780	2.8
111.00896	2.9
112.05333	2.3
113.02460	17.0
119.03519	9.6
119.08673	1.4
121.02881	1.7
125.02457	2.5
125.06088	7.4
125.09760	7.3
127.07683	4.0
133.40958	1.6
135.08157	8.6
137.09697	4.3
139.07722	2.8
141.09239	2.1
143.03545	4.2
143.07156	45.2
149.04639	1.9
153.09227	35.8
155.10788	1.7
157.08736	4.5
160.04065	5.4
161.04572	15.2
163.07664	4.3
163.11302	1.8
165.09175	2.0
169.08727	11.7
178.10046	3.3
179.05618	7.9
181.08723	35.2
181.12340	5.6
183.17738	1.6
189.12868	1.9
207.13992	1.9
210.09010	3.6
214.03505	2.1
217.16045	8.7
227.03592	1.9
235.17023	6.5
253.09305	52.7
255.02971	5.6
261.14975	12.9
269.17715	2.1
271.02441	5.3
279.16046	100.0
280.16260	3.6
283.09845	2.0
286.01669	2.9
297.17093	63.2
298.17374	2.5
300.02634	9.5
332.07346	2.1
333.08032	2.5
339.40857	1.5
356.61136	1.7
371.20563	3.3
398.04608	1.9
446.17868	4.5
495.13403	5.0
515.24811	17.0
533.29346	23.5
534.29919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06135	2.2
57.03460	4.8
59.01383	43.3
60.01735	3.6
61.98840	14.6
71.01382	33.3
71.31981	2.2
72.23438	2.2
73.02956	11.3
83.01409	3.0
85.02938	11.3
85.70581	2.6
87.65347	2.3
89.02463	18.3
93.03480	8.6
101.02455	17.0
103.86177	2.3
113.02461	6.1
114.01984	15.3
115.00386	26.5
119.03536	7.0
121.02992	6.9
122.03786	6.2
123.04552	3.2
132.03073	2.6
134.03763	3.1
135.04564	4.5
137.02446	9.1
143.03514	2.6
147.04556	9.2
148.04857	5.7
149.02452	22.9
150.03236	75.1
151.04021	5.4
160.03979	4.0
161.04579	5.4
163.06218	6.0
164.03595	3.8
164.04808	23.5
165.05579	63.9
175.00256	2.7
176.04863	2.6
177.05643	2.7
179.03528	2.9
179.07169	17.8
180.04265	4.8
181.05098	6.4
190.02887	2.8
191.07182	3.3
192.03085	9.2
195.06677	18.8
204.06624	2.7
206.09531	4.2
207.05420	7.2
209.01999	4.5
222.07690	13.4
223.06200	9.3
234.07697	6.4
248.09305	8.4
253.05107	4.5
276.08807	6.5
293.09113	12.5
294.09784	6.1
298.07281	4.7
313.09586	4.6
328.11945	9.5
337.08267	6.1
372.20981	3.7
403.14395	2.5
419.13626	5.9
442.15530	4.8
533.30438	3.5
534.16272	100.0
535.16528	8.2
549.00146	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	534.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.2
57.49305	1.6
58.81223	1.7
59.01384	47.8
61.98835	100.0
67.73147	1.4
69.32494	7.1
69.32912	2.9
71.01392	19.1
73.02950	50.3
80.91686	1.8
83.01405	12.4
85.02984	3.7
87.00894	3.2
89.02471	7.1
98.03730	1.9
99.04524	1.8
101.02450	28.3
108.02200	2.8
111.00923	2.3
112.19227	2.1
113.02454	5.3
119.03522	3.3
131.03574	2.3
131.96619	1.9
132.50519	1.9
143.03485	2.5
143.04599	2.0
160.04019	3.6
161.02518	2.0
161.04591	5.3
163.04077	2.5
191.05661	2.7
223.13393	18.9
235.13451	5.7
237.14969	4.2
247.13438	6.4
265.14456	11.2
306.07718	3.2
342.10892	2.1
347.02341	1.7
534.20026	6.1
535.14130	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	534.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85420	0.4
55.04767	0.3
61.98836	100.0
67.91597	0.4
71.42327	0.4
78.63428	0.3
91.88956	0.3
111.37397	0.5
126.82078	0.3
146.37946	0.4
146.53548	0.4
347.69446	0.5
352.44046	0.4
456.12848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
62.42791	2.4
70.51667	6.4
78.95883	2.8
101.02474	3.0
152.99527	4.4
158.71297	2.9
196.89384	3.1
229.32274	3.2
253.09280	15.1
255.23322	100.0
256.23633	3.6
286.08569	3.1
423.45746	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	534.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
57.03456	2.3
58.00593	0.5
59.01385	100.0
61.98839	3.0
66.87231	0.4
69.03463	0.9
69.87238	1.0
69.87566	1.0
70.02981	0.7
71.01391	23.4
72.99302	0.7
73.02955	11.6
75.00874	1.0
75.91869	0.5
78.26678	0.4
83.01397	6.2
83.05067	0.5
84.95113	0.5
85.02960	15.2
86.00100	0.8
87.00887	2.9
88.04037	0.6
89.02448	4.7
95.01389	2.3
97.02976	0.9
98.22576	0.8
99.00900	3.6
101.02456	21.0
111.00891	2.4
112.01713	0.5
113.02459	12.8
114.05611	0.7
115.04083	0.4
119.03499	1.4
123.42521	0.5
125.02441	2.1
129.01967	1.2
137.02519	0.5
143.03519	2.6
145.02989	0.5
147.69333	0.4
159.03003	2.0
160.04092	0.7
161.04565	7.5
215.12932	0.7
223.74883	0.4
230.09468	0.4
239.20142	1.1
269.21225	4.0
272.21048	1.3
274.54797	0.6
289.21698	0.9
290.21927	0.5
298.23874	1.6
301.97104	0.5
303.15564	0.5
312.25479	1.1
318.21542	1.0
330.26492	3.4
335.22293	17.8
336.22635	22.9
337.23004	0.7
372.27573	0.6
373.25806	0.9
385.25922	0.6
401.25555	5.2
431.26065	0.5
442.27945	0.8
456.29843	2.4
474.30743	65.3
475.30893	3.7
492.31812	15.0
493.32388	0.7
517.29730	2.3
519.18463	0.5
534.31274	7.2
535.31372	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	535.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.64936	0.5
57.03457	0.9
59.01385	35.5
61.28929	0.5
61.98833	9.7
70.75204	1.0
71.01389	13.0
73.02953	5.0
73.26722	0.5
75.52167	0.5
78.94521	0.6
83.01395	1.5
85.02956	2.4
89.02450	12.7
95.01389	1.2
99.00835	0.9
101.02448	11.2
104.05073	2.6
106.06620	1.8
108.04598	3.4
113.02463	5.7
119.03516	4.3
122.06145	0.7
131.03520	1.0
131.84665	0.5
132.04565	29.0
133.04901	1.1
133.63158	0.6
134.06134	19.6
135.04533	0.6
141.81445	0.5
144.04562	0.8
148.04056	1.5
149.04576	1.9
152.07161	2.5
158.02525	1.0
158.06116	3.0
160.04099	1.3
161.04591	1.1
167.03500	1.4
176.03529	6.4
179.05617	1.0
188.03548	2.3
190.05127	4.4
203.49736	0.6
205.05046	0.6
211.06049	0.7
219.75546	0.5
221.06932	0.6
227.12007	0.6
235.08453	0.8
251.11957	4.3
255.11482	2.1
279.11417	12.8
295.10883	3.3
297.12268	0.6
304.61185	0.6
314.12488	2.7
322.10278	0.6
323.10425	8.5
337.11972	1.0
353.08423	0.8
435.17755	4.8
459.17749	16.4
459.24243	0.8
460.18155	0.9
475.17059	2.8
480.06616	0.6
503.16757	100.0
504.17026	6.3
517.18311	5.9
522.63379	0.5
535.19165	8.4
535.26239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03463	1.3
58.00600	1.1
59.01386	100.0
61.98841	0.6
66.25347	0.5
68.12375	0.5
69.03469	0.6
69.13447	1.5
69.13874	1.8
71.01389	50.5
72.99330	1.4
73.02970	2.8
76.46838	0.6
83.01392	2.5
85.02960	8.4
87.00890	2.6
89.02454	66.1
90.02792	0.6
95.01398	3.2
97.02966	0.6
99.00900	0.8
101.02458	26.5
111.00907	0.6
113.02463	22.9
119.03515	29.4
125.02508	0.7
131.03522	3.3
143.03523	4.8
149.04611	1.7
161.04562	4.9
179.05621	11.9
181.01431	0.8
196.03859	1.8
211.06175	1.5
273.77887	0.5
355.21390	1.1
509.40350	0.6
535.27728	29.1
536.27924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03463	1.3
58.00600	1.1
59.01386	100.0
61.98841	0.6
66.25347	0.5
68.12375	0.5
69.03469	0.6
69.13447	1.5
69.13874	1.8
71.01389	50.5
72.99330	1.4
73.02970	2.8
76.46838	0.6
83.01392	2.5
85.02960	8.4
87.00890	2.6
89.02454	66.1
90.02792	0.6
95.01398	3.2
97.02966	0.6
99.00900	0.8
101.02458	26.5
111.00907	0.6
113.02463	22.9
119.03515	29.4
125.02508	0.7
131.03522	3.3
143.03523	4.8
149.04611	1.7
161.04562	4.9
179.05621	11.9
181.01431	0.8
196.03859	1.8
211.06175	1.5
273.77887	0.5
355.21390	1.1
509.40350	0.6
535.27728	29.1
536.27924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3127
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01887	1.3
57.03454	2.4
59.01385	68.2
59.43240	0.5
61.98836	1.1
70.41689	0.7
71.01390	16.3
71.47324	0.4
72.99310	0.4
73.02957	5.1
83.01390	2.4
85.02954	6.6
86.00142	0.5
87.00895	2.8
89.02446	7.2
90.17828	0.4
92.78225	0.4
95.01421	1.8
96.96841	0.5
99.00887	1.6
101.02453	11.2
111.00944	1.1
113.02460	6.7
119.03504	1.5
121.38546	0.5
123.08172	1.4
129.01997	0.6
131.03468	0.5
141.01881	0.5
143.03416	0.6
143.07184	0.6
157.08733	0.8
159.03104	0.5
161.04544	3.1
249.06213	1.7
251.16626	0.4
251.20070	0.4
271.50674	0.4
277.21860	2.1
285.15424	2.7
295.22766	1.1
313.24063	0.5
332.06946	0.4
362.19446	0.7
412.75980	0.5
439.27182	1.1
457.28058	3.9
475.28970	3.1
517.30109	1.3
517.69586	0.5
535.31268	100.0
536.31573	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.313
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
54.02836	0.3
55.01880	1.2
57.03456	1.7
59.01383	46.7
61.98836	0.6
63.11873	0.3
64.53807	0.3
66.62461	0.3
69.03436	0.6
69.18327	1.3
69.18747	0.8
70.78551	0.3
71.01385	12.5
71.05028	0.5
73.02952	4.3
75.00868	0.3
77.07824	0.3
83.01394	2.6
85.02961	5.8
85.06630	0.3
86.00062	0.4
87.00890	1.0
89.02444	5.4
91.16814	0.3
95.01409	1.1
97.06573	0.4
99.00887	1.4
99.04534	0.5
101.02448	11.4
105.81196	0.4
111.00894	0.7
113.02455	5.3
119.03526	1.3
123.08173	0.6
125.02454	0.5
131.03506	0.5
139.11307	0.8
141.12851	0.7
143.03564	0.5
152.08389	0.4
159.03043	0.7
161.04597	1.7
169.12447	0.3
171.13957	0.7
177.90492	0.3
185.11839	0.9
239.16718	0.4
277.21771	2.1
283.71173	0.4
295.22778	0.7
313.23746	0.6
337.23819	0.7
355.24854	1.0
362.19531	0.4
363.56149	0.4
373.26053	3.6
439.27039	1.4
457.28009	2.4
475.29266	2.9
517.30151	3.0
535.31293	100.0
536.31696	6.0
548.22510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3143
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01880	1.6
57.03445	2.5
59.01388	57.9
61.98827	1.6
64.36768	0.5
69.35869	2.9
71.01395	16.4
73.02952	5.9
83.01396	3.6
85.02958	7.2
87.00900	2.8
89.02456	7.0
95.01416	1.1
98.22618	1.3
99.00894	1.3
99.04507	0.8
101.02450	14.2
111.00889	1.2
113.02470	5.2
119.03527	2.0
123.08273	0.8
125.02437	0.7
144.69781	0.6
146.08376	0.6
159.02986	1.5
161.04584	2.4
171.13889	0.7
185.11929	1.2
203.52023	0.6
229.14508	2.2
277.21738	2.0
355.24924	0.8
370.07562	0.7
373.22025	1.5
373.26068	1.7
434.84796	0.7
439.26819	1.1
457.28183	3.5
470.48898	0.6
475.29141	4.1
493.17725	0.8
517.30072	2.0
535.31354	100.0
536.31653	5.9
547.59338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64405	0.4
59.01387	1.5
59.81316	0.5
61.98837	100.0
69.33620	1.0
69.34012	1.3
71.01391	1.0
72.02630	0.5
87.00883	0.5
89.02429	0.7
109.02953	2.9
111.00909	0.6
124.99892	0.4
135.04529	6.7
149.04939	0.6
149.06094	3.9
151.03966	0.6
161.06152	1.1
166.87114	0.5
177.05640	0.6
179.03563	0.6
186.30794	0.5
189.05612	5.9
193.04991	0.5
207.06641	4.7
221.04590	2.4
221.27827	0.5
231.06607	0.7
235.06206	1.0
239.05615	0.6
249.07744	0.6
251.05740	0.6
311.07724	2.5
311.10974	0.6
369.12006	1.7
383.09592	0.6
401.11017	1.0
401.72974	0.6
413.10941	7.6
443.11877	1.0
473.13092	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	536.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48382	0.4
55.01907	0.5
57.03456	1.2
59.01382	13.4
59.70587	0.4
60.01710	0.5
61.98825	1.9
69.17844	1.3
69.18275	1.7
71.01380	4.6
73.02956	1.5
81.03485	0.4
85.02946	2.0
87.00883	1.2
88.00416	0.5
88.98837	1.3
89.02452	2.6
91.01919	3.2
94.02979	0.6
96.57262	0.4
98.21887	1.1
99.00893	0.4
101.02463	3.3
106.86444	0.4
109.02951	1.5
113.02458	1.9
119.03503	0.9
121.01742	0.9
121.02966	0.6
122.02488	6.6
122.06159	0.7
123.03255	1.5
133.01727	1.2
134.02495	100.0
135.00896	1.7
135.02841	1.3
136.04082	2.7
148.00446	1.5
149.01218	2.3
149.04517	0.6
150.01956	0.8
151.02785	5.9
152.03566	0.9
152.07181	1.5
165.00696	1.4
166.01468	9.5
177.01924	0.6
180.03035	11.9
181.03835	29.5
182.04224	0.7
188.07220	0.7
195.05411	7.5
196.06184	6.1
207.01791	0.6
212.03532	1.1
213.04321	1.2
214.02715	1.2
222.04066	0.5
230.91774	0.5
240.03075	1.1
241.03798	7.4
242.02258	5.6
243.66132	0.5
253.09875	0.5
257.04456	3.5
284.02069	1.0
285.02786	10.6
286.03607	1.2
295.10910	1.2
299.04245	2.8
300.05161	83.0
301.05463	2.7
314.06866	0.9
316.04657	1.7
317.05429	3.5
331.06967	2.4
332.07779	94.9
333.08118	3.7
373.16586	1.1
373.25980	1.1
374.16867	1.8
460.18805	3.0
476.11938	0.7
494.13367	0.6
504.11325	1.3
504.17932	2.7
535.31201	11.3
536.14142	78.8
536.31384	8.7
537.14899	4.3
537.22321	0.8
537.24896	0.4
537.33020	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	536.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88674	0.7
57.03471	3.7
59.01387	21.1
61.98841	5.1
69.03461	5.4
69.87753	0.6
71.01392	7.1
71.41718	0.6
73.02960	2.7
78.95926	0.7
79.01913	2.5
81.03477	0.6
81.63364	0.7
84.10841	0.7
85.02962	3.7
87.00874	0.8
89.02448	3.8
95.01396	1.5
97.02966	3.2
99.00880	1.1
99.04528	2.0
101.02459	6.4
107.01405	6.2
108.02171	1.2
109.02979	1.6
111.00896	1.6
113.02473	2.2
119.03466	0.7
121.02955	0.9
122.02509	4.1
123.00887	0.8
123.04485	0.6
125.02451	7.4
133.01720	14.6
133.78754	0.7
134.02504	12.1
135.00905	9.9
136.04045	5.9
148.00427	7.2
149.01251	1.6
149.02376	0.7
150.01978	2.3
151.02789	2.1
152.03564	2.1
161.04573	2.0
163.04054	1.2
165.00674	4.7
166.01486	2.8
168.00713	0.8
180.03055	23.5
181.03824	10.8
182.04576	2.5
194.61577	0.8
195.05373	17.7
196.06146	2.6
207.01746	2.9
212.03543	5.9
213.01985	2.9
213.04298	2.4
214.02769	1.4
222.04092	2.6
224.03497	0.7
229.01544	2.1
240.03082	8.8
241.01584	1.3
241.03812	21.0
242.02153	1.8
242.04395	1.0
256.02509	1.3
257.03406	2.5
258.04080	1.5
283.04962	0.7
284.02036	19.9
285.02814	19.5
286.03510	2.0
299.00937	0.9
299.04379	24.7
300.05157	30.4
301.05829	1.0
314.06799	1.2
316.04657	10.2
317.05432	5.2
331.07004	31.2
332.07791	100.0
333.08139	2.9
344.07770	0.9
444.09338	2.2
475.22678	0.9
475.29016	1.5
476.12238	3.2
494.13260	2.8
504.11530	12.8
517.29834	1.5
518.30670	1.1
535.31342	20.3
536.14185	39.7
536.31549	13.9
537.14087	2.6
537.32892	4.8
559.06885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61040	1.6
53.69402	1.6
57.03456	1.9
59.01118	2.3
59.01386	17.2
61.98831	21.0
69.04791	12.9
71.01383	27.8
73.02952	1.7
74.37740	1.7
75.00814	1.6
85.02982	4.4
88.04051	40.3
89.02450	7.6
93.03484	4.0
98.21948	3.4
101.02446	5.2
113.02462	4.2
115.00391	29.6
119.03545	2.1
121.02969	4.6
122.03774	10.7
123.04527	3.3
127.87224	1.8
128.76013	1.9
132.03044	14.8
133.03052	1.7
135.04559	3.0
135.98334	2.8
136.01601	1.5
137.02464	6.3
149.02464	12.7
150.03241	70.3
151.04051	16.3
161.02512	2.0
161.06052	2.1
162.05711	2.6
163.69038	1.8
164.04770	8.9
165.05579	69.5
176.31020	1.8
176.65181	1.6
179.07141	14.7
180.04335	4.6
181.05051	4.9
193.05122	2.5
194.04549	4.3
195.06668	26.6
209.06978	5.8
210.07837	4.0
224.09291	6.4
225.07686	6.3
295.10620	7.9
296.11453	3.5
332.54099	2.0
339.09528	12.1
357.13287	2.0
374.13193	3.3
413.11142	1.9
420.16574	2.6
421.15039	20.9
445.31973	1.9
456.16742	3.1
474.17630	2.2
536.17822	100.0
536.25842	5.3
537.18323	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	536.2274
Annotation	Deacetylcelapanigine
Peak:m/z	Relative Intensity
59.01376	10.9
61.98837	100.0
62.55995	3.4
64.67677	4.1
69.81441	8.8
71.01411	4.1
74.99408	3.9
75.59280	4.3
89.02457	7.5
102.75832	4.3
109.10423	4.7
133.36295	4.2
189.05522	9.4
234.79897	4.1
254.04610	14.3
298.03607	16.2
327.12119	4.8
336.31705	3.7
346.54071	4.3
375.14603	4.7
409.81778	4.6
416.74771	4.1
443.05582	3.9
536.22803	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1256
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03440	1.3
59.01381	12.9
61.57430	0.7
61.98837	5.1
69.12033	2.8
69.12432	2.0
71.01385	8.6
72.99330	1.5
73.02947	3.1
83.01403	1.3
85.02961	3.3
86.31991	0.7
87.00858	1.2
89.02442	6.6
94.37009	0.7
95.01407	2.0
97.02988	1.2
98.21799	1.3
99.04498	1.4
101.02453	8.3
113.02472	3.7
119.03510	1.6
121.02976	10.2
121.03770	1.4
123.00912	10.0
124.01679	31.9
125.01633	1.2
125.02467	13.6
131.03499	1.2
135.04556	0.8
137.02448	1.0
149.04544	2.8
149.99600	49.5
151.00311	1.3
161.04536	1.2
163.04005	1.2
168.00655	100.0
169.01439	5.3
179.05659	0.8
179.07127	1.0
184.48680	0.7
187.13403	0.8
239.05673	1.3
301.05676	3.7
371.09448	0.8
375.27429	3.9
415.08636	2.5
477.23428	1.1
519.11804	1.1
537.12567	98.6
537.33008	17.6
538.12598	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	537.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
57.03441	4.9
58.62476	1.3
59.01384	66.0
60.70077	1.1
61.98824	5.3
63.96247	7.6
66.45029	1.1
69.03469	2.6
69.71066	1.1
70.28387	2.0
70.28700	1.5
71.01385	43.0
72.99320	5.8
73.02956	13.2
73.98331	1.3
74.99101	2.3
83.01382	2.9
85.02963	13.4
87.00897	2.5
87.04497	1.7
89.02451	63.7
90.02782	2.1
93.03458	3.0
95.01360	1.4
97.02965	3.9
99.00886	10.0
101.02447	31.7
105.75838	1.3
107.01122	1.4
111.00916	1.7
113.02455	6.7
117.97328	3.8
119.03527	4.5
121.02971	35.0
125.02467	32.0
130.99396	1.2
131.03499	10.7
135.98381	16.3
136.99146	2.0
137.02458	3.0
143.03542	3.3
149.02599	2.3
149.04576	54.8
158.11659	1.4
161.02469	1.4
161.04584	2.8
168.00635	2.4
190.02843	1.3
191.05614	6.1
205.05016	2.4
209.06146	1.7
221.06699	4.7
224.50848	1.3
225.05580	4.2
227.88382	1.2
233.06691	2.1
253.05035	9.0
255.05428	1.6
256.03668	1.4
265.16867	1.3
271.06110	1.6
275.07745	9.4
279.02960	1.7
291.09259	1.6
293.08853	10.5
297.03696	5.1
312.05240	1.9
315.05099	4.5
344.08624	1.2
357.26459	2.9
375.27591	16.5
393.21271	1.8
415.11401	2.4
435.22736	1.3
449.27698	2.1
475.52280	1.3
494.10800	1.9
519.31854	2.5
536.31036	1.8
537.14777	14.7
537.24268	10.6
537.32831	100.0
538.10797	1.4
538.33240	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	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.7
58.00572	1.7
59.01384	95.3
60.98924	1.2
68.12164	1.2
69.03467	2.1
69.14945	7.8
71.01387	57.1
71.15732	1.3
73.02952	24.6
75.48537	1.4
81.03411	1.6
83.01396	1.5
85.02965	7.8
87.00901	2.2
89.02454	100.0
97.02966	2.5
98.21964	3.0
99.00892	31.4
101.02452	36.8
109.02952	22.4
113.02468	10.5
119.03505	4.9
121.02898	2.1
123.04495	1.7
125.02470	9.2
131.03503	13.9
134.07404	3.4
135.08217	1.5
136.01677	11.0
137.09744	2.6
139.07716	2.0
146.03784	2.7
147.04515	1.6
149.04572	57.1
149.09746	22.2
151.04008	11.1
153.09218	9.5
160.05298	1.9
161.04523	4.3
161.06087	3.9
167.10783	26.9
172.05328	2.5
175.04022	6.2
175.07721	1.7
176.04797	7.0
179.05736	2.3
189.05582	5.4
190.06346	4.2
191.05618	13.1
191.07201	6.8
209.11932	1.8
221.06599	3.9
225.14911	1.5
233.06685	5.1
239.07150	4.3
243.15860	1.6
251.07544	6.8
261.05594	1.4
267.06650	36.1
269.79773	1.3
278.06009	1.7
279.06705	8.1
281.08401	1.9
282.08990	33.9
293.08762	8.9
294.08963	8.0
297.08078	3.1
297.11328	80.5
298.11649	4.9
309.11481	1.7
312.10068	15.5
327.12390	69.1
328.12692	5.3
332.52466	1.4
345.13443	37.6
357.13345	11.0
375.14511	41.9
376.15018	3.2
405.21252	2.6
428.81183	1.6
537.25665	63.6
538.25732	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67745	0.4
59.01382	4.6
59.28817	0.4
61.77510	0.5
66.37833	0.5
69.51414	1.7
71.01402	3.0
85.02931	1.0
89.02455	3.8
101.02459	1.8
108.02181	1.1
109.02956	10.7
111.00914	0.5
113.02428	0.6
119.03534	0.5
121.02981	1.2
122.03746	1.2
123.04467	0.7
131.03491	1.0
135.04605	0.6
136.01671	7.3
137.02443	0.5
145.02956	1.7
146.03751	3.0
147.04538	1.4
149.04549	2.2
149.09714	0.5
150.03252	0.6
151.03999	6.3
158.03726	1.1
159.04515	0.8
160.05312	1.7
161.02444	0.7
161.06076	2.1
171.04585	1.2
172.05333	2.2
173.06030	0.9
174.03232	0.8
175.04013	6.7
176.04779	4.7
188.04729	1.2
189.05579	4.7
190.06352	4.4
191.05583	0.7
191.07149	8.4
223.07603	1.0
230.52940	0.5
249.05557	0.6
250.06430	0.9
251.07085	3.5
261.05533	1.5
262.06427	1.4
263.07294	0.7
266.05820	2.2
266.09583	1.0
267.06592	8.3
278.05966	1.1
279.06656	10.1
281.08261	2.1
282.08951	4.2
293.08218	2.4
294.05984	0.8
294.09009	7.8
296.10577	1.7
297.07745	3.3
297.11337	14.2
298.11514	0.8
309.11407	2.0
311.09482	0.6
312.10052	20.2
313.10577	1.1
315.12433	1.7
327.12393	100.0
328.12781	5.4
345.13397	6.5
357.13467	16.2
358.13672	1.0
375.14536	9.8
376.14954	0.7
447.14243	2.2
537.26038	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	96.5
61.98848	2.6
64.84584	1.9
69.09566	10.2
71.01387	52.4
72.01768	1.8
73.02953	7.0
83.01363	2.3
84.18059	2.3
85.02958	8.7
87.00888	4.5
89.02451	69.5
93.18956	1.9
96.96053	3.1
99.00880	3.9
101.02444	27.8
109.02932	10.8
111.00908	3.6
113.02464	19.6
119.03508	23.6
123.04545	2.8
131.03523	6.4
136.01671	9.0
143.03505	3.7
149.04556	7.8
151.04041	10.5
159.04485	2.7
161.04559	3.9
172.05220	3.1
177.05553	2.1
179.05618	7.1
179.07036	2.5
181.33435	2.6
187.04007	8.9
188.04857	2.6
193.84474	2.3
202.06322	5.3
203.07172	5.0
226.96986	2.3
232.98969	2.1
293.08643	3.4
323.09329	7.9
324.10168	13.1
327.12399	6.1
333.08688	2.7
339.12387	100.0
340.12692	3.0
357.13318	6.2
405.21497	3.8
477.23441	2.5
507.30829	2.6
511.49326	2.3
519.18335	3.9
537.19366	6.9
537.27100	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	537.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35978	3.7
59.01383	74.1
63.10575	4.3
66.05434	3.8
69.09450	28.8
71.01386	37.4
73.02959	19.8
85.02983	7.7
86.12629	3.9
89.02451	89.4
98.21867	6.7
99.00907	25.5
101.02451	44.8
113.02483	11.5
119.03522	6.0
131.03534	13.5
143.03510	5.7
149.04555	94.4
161.04501	5.7
165.04086	4.0
191.05647	17.4
195.79607	4.2
221.06656	16.5
251.07715	15.6
291.53830	4.5
311.09900	12.7
375.27463	11.8
406.28180	4.7
537.21027	100.0
537.33014	39.2
538.21771	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	537.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.5
57.03437	4.9
59.01383	46.8
60.57385	2.7
61.98827	5.1
69.23231	15.6
71.01392	34.9
72.99318	4.0
73.02951	12.9
81.76752	2.5
85.02954	11.1
87.00870	3.5
88.06406	2.9
88.98830	2.8
89.02457	39.1
99.00871	7.4
101.02455	36.7
113.02429	9.8
119.03486	8.5
123.04333	2.7
131.03481	10.1
140.06950	2.6
147.14140	2.6
149.04567	35.0
161.04520	4.6
161.08026	2.6
174.91570	2.8
191.05603	7.6
208.84271	2.6
229.20061	2.7
325.38953	2.6
375.27328	7.3
406.28046	10.2
501.23502	35.9
537.21021	100.0
537.33301	28.0
538.21552	8.4
538.32526	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	537.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03453	6.5
59.01383	46.5
61.98832	7.1
69.23506	6.6
71.01385	20.9
73.02956	8.7
75.77608	1.4
83.01395	3.6
85.02957	10.1
89.02448	15.7
95.01363	2.4
97.06583	1.4
98.22676	2.6
99.00919	1.5
101.02458	14.9
111.00942	1.7
113.02459	6.9
114.77153	1.5
119.03510	2.2
120.99690	2.5
125.02445	3.7
125.09686	1.5
130.76529	1.3
131.03510	2.6
141.36292	1.2
143.10724	1.9
149.02522	1.6
149.04567	5.5
149.99586	5.7
161.04562	3.4
162.26588	1.5
163.06139	2.1
175.03958	2.0
177.99107	22.5
178.99809	1.9
191.05597	3.1
210.04088	1.7
215.03645	1.6
230.05795	1.5
231.15965	1.7
293.08701	4.2
305.16125	1.6
341.05118	10.0
344.07727	1.7
357.26447	3.2
366.90433	1.5
375.27487	5.7
376.10611	2.0
401.54922	1.6
435.22842	1.7
475.08310	1.6
501.23468	5.8
501.30261	1.9
511.27692	1.8
519.32166	7.8
537.20593	19.5
537.32855	100.0
538.12134	19.9
538.32849	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.9
59.01080	6.0
59.01382	92.6
60.99316	20.1
61.98834	61.8
71.01385	74.8
71.01778	3.3
71.05058	3.3
72.99313	4.0
73.02940	22.0
75.00876	35.7
78.95956	4.3
79.97672	2.8
81.03439	3.0
83.01384	4.0
85.02950	21.0
87.00886	25.9
87.04529	3.2
88.98811	96.5
89.02451	100.0
91.47753	2.8
93.03452	5.4
97.02956	4.8
97.06582	3.1
98.22636	8.7
99.00902	19.2
99.04529	5.8
101.02459	31.7
108.02216	4.1
111.00880	4.5
113.02466	19.6
119.03414	3.9
121.02946	4.2
123.04534	5.1
125.02449	11.9
125.06025	4.0
131.03513	6.8
137.02449	10.5
143.03497	4.9
149.04578	15.5
150.04977	3.1
161.04576	8.6
175.00386	6.3
185.05592	7.0
190.02774	9.5
191.05565	3.4
205.05132	7.3
211.03503	13.9
229.04655	4.8
243.06566	4.3
253.04561	5.0
287.07523	3.5
373.08865	4.6
387.10107	4.8
457.94882	3.1
461.14029	7.8
505.13141	12.1
519.20020	4.5
536.31598	5.0
537.23621	11.2
537.32538	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	537.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
57.03458	5.6
58.00594	1.9
59.01383	99.2
60.01684	0.6
69.03472	1.3
69.55334	2.0
70.38889	0.6
71.01387	64.3
71.05027	1.6
71.51775	0.5
72.01723	0.6
72.99314	1.8
73.02950	13.7
74.16442	0.5
75.00847	0.8
80.89352	0.6
81.03473	0.6
83.01395	3.2
83.05038	1.3
85.02959	12.1
86.00092	1.3
87.00881	8.4
87.04507	0.6
89.02451	100.0
90.02804	1.3
95.01387	0.8
97.02975	1.6
97.06627	0.6
99.00880	1.9
101.02450	43.0
102.02792	0.6
108.36030	0.5
109.02967	2.3
109.06653	0.5
111.00885	2.0
111.08175	1.2
112.05311	0.6
113.02458	12.7
115.04024	0.9
118.03278	0.5
118.87573	0.6
119.03506	6.9
125.02465	4.1
125.06088	1.0
131.03514	45.9
134.07384	1.9
136.01689	0.9
137.09756	1.5
143.03484	1.9
149.04568	81.5
149.09727	15.4
150.04892	1.1
151.04016	1.1
153.09186	1.0
161.04625	1.0
167.10785	22.7
171.10231	0.6
175.03937	1.1
176.04764	0.6
179.05626	1.2
189.05530	0.8
189.12834	0.6
191.05623	22.0
191.07057	1.0
207.13913	5.9
225.14990	4.2
233.06651	2.3
243.16078	1.4
251.07643	2.3
261.05469	0.6
265.08704	0.6
267.06641	1.5
279.06805	0.7
282.08994	1.5
293.08728	3.1
294.09036	1.3
297.08267	0.8
297.11349	3.3
299.06653	0.7
311.09818	1.5
312.10187	2.2
327.12378	11.9
345.13379	2.5
357.13419	1.1
375.14297	2.7
387.20367	1.4
405.21252	4.6
516.39081	0.6
519.24371	4.1
537.25610	42.7
538.25940	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97825	0.8
57.03455	7.2
58.00599	1.2
59.01386	86.2
61.61412	0.7
69.03465	1.7
70.73415	1.1
71.01391	58.3
73.02956	15.8
79.11607	0.8
82.96235	0.7
83.01363	1.5
85.02965	6.4
87.00880	4.2
89.02455	100.0
90.02788	0.8
97.02955	1.0
99.00890	13.3
101.02452	35.6
112.05308	1.1
113.02458	10.0
119.03500	6.4
125.02482	5.9
131.03514	31.3
134.07384	2.1
135.08168	1.8
137.09755	0.9
139.07661	3.1
143.03540	1.0
149.04575	76.4
149.09743	22.6
153.09259	10.6
161.04567	2.2
167.10793	34.3
179.05617	1.5
191.05605	19.5
207.14098	0.9
216.07178	0.8
221.06680	2.0
225.14966	2.4
233.06721	2.1
243.16008	1.9
251.07826	4.1
281.20813	0.8
292.82672	0.9
293.08871	4.7
311.09979	0.8
327.12152	1.1
365.14621	1.0
405.21085	1.6
523.88892	0.8
537.25568	51.3
538.25793	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03447	6.3
58.00586	1.3
59.01383	100.0
62.12028	0.5
67.55005	0.5
69.03452	1.1
69.11880	0.6
69.14596	4.3
71.01385	56.0
72.99316	1.0
73.02950	13.7
81.03477	0.9
83.01394	1.7
83.05010	0.6
85.02954	7.6
86.00092	0.9
87.00886	5.9
89.02450	95.5
92.93900	0.6
95.01409	0.6
97.02954	2.1
99.00896	6.1
101.02450	41.2
106.51620	0.7
111.00887	0.8
112.05296	0.8
113.02461	10.8
115.04036	0.9
119.03516	5.2
120.05785	0.6
121.06562	0.6
125.02457	4.6
127.52693	0.6
131.03513	35.9
134.07355	3.0
135.08192	2.1
137.09717	1.6
139.07677	2.5
143.03503	1.4
149.04561	74.8
149.09723	21.9
150.04930	0.8
150.10040	1.0
153.09225	9.6
161.04558	2.1
167.10789	32.8
179.05678	1.1
191.05624	19.9
206.95670	0.6
207.13855	0.8
209.11813	0.6
225.15005	3.6
233.06691	1.1
233.36609	0.6
243.15987	2.4
251.07669	2.1
293.08810	4.3
311.09796	1.2
327.12421	0.9
355.28500	0.6
365.14584	0.9
405.21268	2.6
537.25580	39.2
538.25714	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	537.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36291	0.6
55.01896	0.8
57.03448	8.1
58.00611	2.2
59.01384	95.0
60.01717	1.0
63.29655	0.7
68.35479	0.6
69.03478	1.0
69.28220	3.5
70.94557	0.7
71.01389	62.1
72.01743	1.1
72.99321	1.6
73.02953	12.5
77.22903	0.7
82.95422	0.9
83.01420	1.6
85.02951	8.7
85.39729	0.6
86.00105	1.3
87.00890	7.5
89.02454	99.2
90.02803	0.8
95.01431	0.6
96.96014	1.0
97.02965	0.9
99.00887	1.1
101.02450	42.0
101.20488	0.6
109.02995	2.2
111.00885	1.4
112.05297	1.1
113.02465	9.7
119.03516	6.8
123.04617	0.8
125.02448	2.1
131.03522	39.7
132.03848	0.7
134.07408	2.8
136.01660	1.4
137.09758	1.3
143.03563	1.3
149.04572	100.0
149.09734	25.2
150.04941	1.6
150.10049	1.3
153.90417	0.6
161.04620	1.6
167.10789	37.6
168.11191	0.9
175.03996	0.9
179.05612	1.0
189.05687	0.8
190.06323	0.9
191.05627	19.3
192.06017	0.7
207.14098	0.7
225.14969	3.3
233.06636	0.6
239.07526	0.7
251.07671	2.5
267.06610	0.7
279.06805	1.4
282.09000	0.7
293.08813	0.8
294.08960	1.4
297.08566	0.8
297.11395	2.4
311.09930	1.1
312.10071	1.8
327.12433	10.8
328.12906	0.9
334.97552	0.7
345.13574	1.5
357.13556	1.1
375.14761	1.1
405.21350	1.0
537.25745	26.4
538.26654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55518	1.0
61.98835	1.5
63.54074	1.0
70.46812	1.9
78.95911	18.2
79.71550	0.9
83.76264	1.2
94.19842	1.0
98.83939	1.0
102.56213	0.9
125.87410	1.0
138.96959	1.0
152.99606	4.1
162.23936	1.2
168.04332	1.6
171.10295	5.5
224.06947	7.6
242.07996	1.7
255.23311	100.0
256.23642	2.9
309.20596	2.6
432.74020	1.6
480.30994	70.6
481.31482	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	538.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03449	4.4
59.01384	33.9
60.01709	1.6
61.98837	11.4
69.30512	8.6
71.01384	16.4
71.86105	1.8
73.02981	4.2
73.27299	1.5
83.01404	1.8
85.02954	4.3
89.02454	15.6
91.01883	2.7
93.03476	7.4
95.01372	2.6
95.05006	2.0
97.02900	1.7
99.04514	3.2
101.02458	12.3
108.02209	2.6
109.02978	15.5
110.03307	1.5
111.00893	5.0
112.57479	1.7
113.02471	4.7
114.05603	1.6
119.03444	2.7
121.02972	44.4
125.02454	5.7
130.17863	1.6
130.89665	1.7
131.01396	4.9
131.03506	2.4
133.02983	6.1
135.00911	6.7
135.98393	3.6
136.01231	1.9
137.02472	1.8
139.04045	6.4
141.54343	1.7
145.02991	2.5
149.02461	34.0
149.04578	5.1
150.03201	3.6
150.61577	1.6
153.01978	13.5
154.02292	5.7
155.05016	2.3
159.44255	1.7
161.02448	11.5
161.04628	2.0
162.03256	2.2
163.04022	9.0
169.06644	3.4
171.04515	2.1
175.00366	3.6
180.05876	4.4
181.06596	5.2
182.03760	3.4
183.04524	6.5
191.05519	2.8
195.04527	3.8
196.05219	3.5
197.04628	1.8
197.06090	10.4
202.57077	1.5
205.01535	1.7
207.04561	6.3
208.05313	6.8
209.06123	8.3
210.03232	3.4
211.04044	5.0
212.04698	1.6
223.04048	4.2
224.04713	11.2
225.05615	32.0
226.02769	2.9
229.04901	2.2
235.04115	10.3
236.04805	5.1
239.03519	1.7
240.04219	2.8
241.05034	2.9
243.06747	3.3
251.03601	5.9
252.04294	5.6
253.05095	100.0
254.05359	3.4
256.03760	5.8
269.04810	10.8
271.06204	20.1
275.72647	1.7
279.03024	4.1
280.03732	2.9
284.03403	1.9
297.03998	71.7
298.03873	6.8
312.05182	21.5
315.05133	29.7
326.06613	12.2
329.05481	3.5
341.03165	6.0
342.06213	5.2
344.07730	12.3
372.07220	5.7
375.27692	2.0
397.45129	1.9
418.09256	2.4
462.08319	5.9
476.09531	3.9
494.10928	20.1
495.11383	2.3
495.26062	5.9
519.31616	2.2
537.32990	23.8
538.09766	25.1
538.33228	13.4
539.34607	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	538.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.8
57.03444	0.7
59.01384	11.5
61.98845	3.8
65.00325	1.7
66.01108	0.7
67.56251	0.4
68.99813	0.7
71.01389	6.8
73.02954	2.2
78.01106	0.7
81.03468	0.6
83.01402	0.9
83.44666	0.4
85.02959	2.0
87.00888	0.8
89.02455	3.8
93.03471	0.6
94.00606	3.3
95.01421	1.0
99.00858	0.8
101.02462	5.0
102.02769	0.7
106.00635	0.4
107.01411	1.1
109.02946	1.4
111.00890	1.2
113.02456	2.1
115.44195	0.4
119.03490	1.1
121.02934	1.5
122.00111	7.2
123.00906	0.9
123.04554	0.6
125.02474	1.2
133.03014	0.6
137.02307	0.4
143.03403	0.5
149.02475	0.7
149.99597	26.4
151.00391	2.4
153.01945	3.5
161.04550	1.5
163.00385	1.0
163.04062	0.5
165.01906	0.9
177.99088	100.0
178.99713	4.0
179.03499	0.7
179.05655	1.0
190.99866	3.4
193.01421	1.0
193.05080	0.6
205.01451	0.7
251.02039	0.6
277.96704	0.5
291.84787	0.4
300.02759	1.1
341.05151	54.4
342.05505	1.4
375.06100	1.0
375.27695	0.7
376.06741	0.6
399.24857	0.5
405.24414	0.5
406.25314	0.4
475.08698	0.8
477.30783	0.6
495.26071	4.2
506.15878	0.8
519.31940	0.8
537.33014	10.4
538.12061	64.3
538.33508	5.4
539.12451	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	538.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.1
59.27922	0.8
61.98831	1.9
62.81499	0.8
71.01394	1.4
71.01759	0.7
71.39978	0.9
88.54588	0.7
89.02415	1.4
111.00845	1.2
154.40913	0.8
178.05113	100.0
179.05434	1.5
182.19380	0.8
217.00375	1.4
218.00655	1.3
220.99504	1.0
225.88828	0.8
243.63959	0.8
340.10394	61.3
341.10660	1.8
379.98755	1.2
400.04724	1.1
404.19803	0.8
538.13721	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	538.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57493	0.7
55.01881	5.3
57.03453	4.2
57.67505	0.7
59.01388	34.8
61.98826	1.3
69.03467	1.2
69.43172	0.6
69.44420	3.1
69.44746	0.8
71.01390	42.2
72.99313	1.4
73.02954	22.3
75.00890	1.2
81.03495	1.0
83.01402	8.5
85.02958	23.3
86.00101	1.5
87.00879	4.3
89.02449	12.4
95.01392	3.5
97.02948	2.4
99.00893	7.9
99.04485	0.8
101.02453	40.5
102.82769	0.7
103.19251	0.6
111.00884	3.2
113.02463	13.0
115.04018	1.1
119.03531	0.8
125.02447	2.7
129.01953	1.4
131.03503	2.9
143.03497	1.2
149.04572	3.3
159.03021	2.4
161.04573	9.1
167.03130	0.7
212.67009	0.7
233.06654	2.7
244.22775	1.4
293.08823	1.1
406.28140	62.7
407.28424	3.2
459.08969	0.8
538.32385	100.0
539.22766	2.2
539.33203	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	539.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17566	2.3
59.01381	43.3
60.52538	2.1
71.01389	37.1
71.39474	2.6
73.02959	6.0
76.59850	2.2
85.02959	8.3
87.00889	6.4
87.50486	2.0
89.02454	47.9
95.01408	3.0
95.97980	1.9
98.87012	1.8
101.02448	25.3
104.52471	2.6
107.83046	2.1
111.00905	5.2
113.02473	18.2
119.03523	9.0
131.03531	3.3
143.03525	4.6
151.00203	2.0
161.04536	13.7
179.05615	42.7
194.99257	3.9
214.98680	4.9
221.06671	21.7
281.08868	2.7
323.09845	6.7
341.10898	7.8
377.08438	10.4
383.11673	2.5
388.43826	2.5
498.59125	2.2
503.16229	100.0
504.16824	5.9
539.13885	44.8
550.27118	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	539.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72015	0.6
55.01871	0.9
57.03453	1.5
58.00596	1.6
59.01382	100.0
71.01385	52.8
72.99317	1.8
73.02962	1.9
75.00895	1.1
83.01405	2.7
85.02951	8.3
87.00889	2.6
89.02449	80.2
91.99770	0.7
95.01385	3.3
97.02884	0.8
101.02450	22.9
101.03110	1.2
108.02176	1.7
113.02461	21.6
113.03272	1.2
119.03507	30.3
121.02974	4.0
122.03767	1.4
123.04523	2.2
125.02422	0.6
129.00134	0.7
131.03531	2.6
132.02176	0.8
134.03835	1.1
135.04559	1.1
143.03494	5.6
145.02994	2.2
146.03693	0.6
149.02515	2.2
149.04616	1.9
150.03223	6.0
161.02469	2.3
161.04555	3.5
162.03238	12.1
165.05583	5.8
166.06342	8.2
177.05594	10.4
179.05640	11.2
180.04303	1.3
181.08720	3.3
185.18251	0.6
195.06693	4.3
278.68063	0.6
306.67984	0.7
329.14047	0.7
343.14233	1.4
357.12018	0.8
357.67850	0.7
491.19525	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	539.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08648	3.3
55.01875	5.3
57.03451	9.8
57.82201	3.7
59.01381	54.7
61.98821	6.7
68.91135	3.3
69.68792	7.1
69.69177	7.7
71.01382	39.6
73.02935	13.1
83.01388	4.0
84.50192	3.2
85.02954	14.9
87.00875	12.8
89.02442	34.8
98.22507	5.0
99.00883	10.0
101.02454	34.7
111.00890	9.6
113.02454	11.6
114.05614	5.6
119.03466	7.0
125.02396	5.7
131.03471	8.7
136.98776	6.4
149.04552	34.2
161.04597	5.1
173.80077	3.4
191.05490	5.1
193.05086	3.6
201.09662	3.1
221.06734	5.3
246.37012	3.4
251.07663	3.6
259.47092	3.0
377.29062	26.3
475.02023	3.7
503.25351	8.4
539.22388	52.5
539.34271	100.0
540.23053	5.2
540.34802	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	539.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.6
56.54029	1.4
57.03445	7.3
59.01383	52.3
61.98830	5.4
65.00328	1.9
69.06776	7.5
69.07197	3.4
71.01386	48.4
72.01725	4.1
72.99303	1.4
73.02953	24.3
75.00881	1.7
83.01379	9.1
85.02950	21.8
86.03298	2.0
87.00868	4.0
87.04487	1.6
89.02447	32.0
90.56838	1.5
93.03482	1.9
94.34701	1.7
95.01365	2.2
97.02925	2.4
99.00892	9.7
101.02452	41.6
102.02798	3.2
111.00884	6.0
113.02460	15.1
119.03475	3.4
125.02454	4.9
131.03548	4.8
149.04552	26.6
159.02998	3.6
161.04608	11.5
162.05048	1.7
170.50333	1.7
191.05530	4.7
193.05081	2.9
251.07651	2.3
253.91243	2.1
293.08783	3.0
377.28952	8.4
390.85800	1.8
406.28201	19.4
407.28467	35.9
416.88681	2.0
503.24802	12.3
538.32416	13.9
539.15173	2.8
539.22748	37.0
539.33173	100.0
540.32831	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	539.287
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
57.03446	0.9
59.01081	0.5
59.01384	15.0
61.98834	18.5
62.14219	0.3
62.35955	0.3
69.03466	0.5
69.12571	1.2
69.12980	0.8
71.01389	7.0
73.02959	2.8
75.00857	0.4
78.95911	1.2
80.42699	0.4
83.01385	1.4
85.02966	2.4
87.00924	0.8
89.02455	2.1
95.01372	0.6
97.96621	0.3
99.00880	1.0
99.04517	0.7
101.02451	6.1
111.44147	0.3
113.02448	3.5
114.02832	0.4
114.44765	0.3
119.03484	0.6
125.02451	0.9
138.98622	0.4
143.03532	0.6
149.04562	0.5
152.99617	0.7
159.03038	0.4
161.04530	1.2
166.98074	1.1
211.13452	0.7
215.16412	0.3
223.13335	0.5
270.80347	0.4
305.07077	0.3
317.21152	1.5
330.00687	0.9
333.20636	1.3
335.22281	32.5
336.22632	1.4
377.05768	2.7
377.23538	1.5
378.06619	0.5
405.22760	0.7
419.24289	1.1
420.07651	0.4
439.59375	0.4
479.26526	31.8
480.26578	2.2
497.27594	38.2
498.28052	1.9
503.24725	0.4
508.08734	0.7
521.31427	0.5
531.18762	0.4
539.28619	100.0
540.11816	4.1
540.28949	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	539.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
59.01382	6.3
61.98834	10.0
69.25442	1.0
69.25847	1.0
69.27485	0.4
71.01402	2.8
72.99316	0.7
73.02952	1.6
75.00881	0.5
83.01395	0.6
85.02969	0.8
89.02449	1.1
99.00897	0.4
99.04549	0.6
101.02441	2.3
113.02469	1.2
119.05099	0.4
122.12732	0.4
125.19913	0.4
147.08356	0.4
161.04607	0.8
163.03958	0.5
187.53453	0.3
247.26834	0.4
253.76494	0.4
271.20667	1.1
287.20184	0.6
289.21793	0.8
317.21185	2.7
335.22305	100.0
336.22687	5.1
377.23788	0.4
479.26544	1.1
497.27692	0.7
539.21545	0.6
539.31964	0.6
540.12305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01387	3.6
61.98833	14.2
69.75172	0.7
69.75558	0.6
70.57011	0.3
71.01391	1.7
73.02950	1.2
73.79146	0.3
75.00874	0.5
84.64868	0.2
85.02962	1.0
86.39399	0.3
87.04515	1.8
89.02452	0.7
94.05988	0.3
99.00877	0.3
99.04527	0.3
101.02444	1.7
113.02466	0.5
134.53722	0.2
143.03545	0.3
161.04585	0.4
189.88539	0.3
194.75484	0.3
218.48633	0.3
223.76727	0.3
291.50961	0.3
293.08624	0.3
335.22290	100.0
336.22601	4.1
407.51169	0.3
479.26498	2.9
497.27628	1.0
500.07141	0.3
503.24924	0.6
539.21350	0.4
539.28058	1.6
540.11963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2865
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
53.16148	0.4
57.03451	0.6
57.08837	0.4
59.01383	14.0
61.98826	1.7
65.34191	0.5
68.14367	0.4
69.91296	0.4
69.91628	1.2
71.01387	4.4
73.02956	3.9
83.01409	0.9
85.02963	1.4
89.02444	4.2
89.44545	0.4
95.01390	0.7
101.02450	6.6
113.02445	2.1
119.03494	2.1
119.28916	0.4
143.03435	0.7
161.04532	0.9
165.04710	0.4
179.05653	1.4
297.13763	0.5
317.21222	25.6
318.21426	1.0
335.22281	7.9
341.23004	0.6
425.71921	0.4
479.26523	16.4
480.26648	1.1
485.04095	0.5
497.27435	3.5
539.28638	100.0
540.29041	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	539.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02044	8.9
52.42282	9.3
53.37226	8.9
55.99058	9.4
56.57696	8.8
61.50893	11.0
67.61000	10.0
69.87993	11.6
69.88315	25.0
78.95908	17.3
80.58221	9.1
84.82768	10.3
100.02201	9.4
125.09745	100.0
132.36421	12.4
152.99599	21.1
187.09766	47.0
245.04280	29.7
261.13412	18.9
267.23260	12.0
295.22836	53.3
313.82407	10.3
481.25461	29.3
527.26514	10.5
539.35852	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27368	0.6
55.01883	3.0
57.03450	6.1
58.00595	0.9
59.01386	42.7
59.55075	0.6
60.01729	0.6
61.98833	6.1
65.00333	3.0
65.61790	0.6
69.03474	1.4
69.44600	2.4
71.01388	30.0
71.05009	0.8
72.01729	1.3
72.99295	1.5
73.02954	11.2
74.03293	1.0
75.00873	2.9
83.01391	4.9
83.05035	0.7
85.02961	13.7
86.99103	0.5
87.00896	3.9
87.04514	2.4
88.98829	1.0
89.02449	16.8
90.02800	0.6
95.01408	2.0
96.95985	0.7
97.02943	1.3
97.06614	0.8
98.22662	1.0
99.00886	4.7
99.04515	1.2
101.02453	24.6
102.02788	1.3
111.00892	6.1
111.04449	0.7
113.02461	10.8
114.02781	0.6
115.04012	0.8
119.03486	4.9
121.02937	0.8
123.00861	0.5
123.08181	1.3
125.02455	1.5
129.01927	1.2
129.09221	0.6
131.03500	1.9
134.03731	1.3
135.04536	0.9
136.98814	5.3
137.02451	0.6
141.09201	0.7
143.03482	1.1
147.04515	0.6
149.02505	0.8
149.04570	2.6
150.03148	0.7
151.04034	1.2
153.09222	1.1
157.12344	1.3
159.03001	2.0
161.04588	3.8
169.12378	1.6
173.11853	1.0
175.03978	1.4
179.03632	0.6
179.05620	1.3
180.02962	0.8
187.13399	2.1
190.02647	0.9
191.05598	1.5
193.05084	1.6
217.14534	1.0
231.15985	1.1
233.06982	0.7
255.03188	0.7
327.12286	0.8
345.26462	1.6
346.48315	0.7
377.29092	18.7
378.29419	1.2
406.28052	3.1
407.28375	10.8
408.28888	0.6
413.16730	0.6
413.21884	2.3
479.25357	1.4
497.26120	0.9
501.23334	5.4
503.24249	0.8
539.22113	9.5
539.34235	100.0
540.10590	2.1
540.21509	1.1
540.34460	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	539.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
61.98825	13.5
76.83067	7.8
83.01390	15.9
98.21758	12.9
125.42130	8.9
126.02052	14.1
174.11485	7.9
211.15273	9.0
218.06679	18.2
235.68637	9.9
279.23294	100.0
480.29639	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26203	0.5
59.01384	3.7
61.98836	100.0
71.01423	0.5
78.95930	0.5
85.67638	0.4
89.02509	0.7
91.79717	0.4
101.80822	0.4
123.21997	0.5
135.04581	1.2
156.30547	0.4
161.02455	0.5
181.63364	0.5
210.75282	0.5
219.92680	0.5
232.84267	0.5
245.48882	0.4
251.30983	0.4
315.11002	1.8
326.14975	0.5
429.63556	0.5
440.80139	0.5
481.13092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26203	0.5
59.01384	3.7
61.98836	100.0
71.01423	0.5
78.95930	0.5
85.67638	0.4
89.02509	0.7
91.79717	0.4
101.80822	0.4
123.21997	0.5
135.04581	1.2
156.30547	0.4
161.02455	0.5
181.63364	0.5
210.75282	0.5
219.92680	0.5
232.84267	0.5
245.48882	0.4
251.30983	0.4
315.11002	1.8
326.14975	0.5
429.63556	0.5
440.80139	0.5
481.13092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.1
61.98834	10.7
66.97938	0.5
69.09863	0.6
69.16763	3.6
71.01383	4.7
72.98594	0.6
73.02963	0.7
73.49659	0.7
85.02946	1.5
89.02460	4.9
95.01397	1.0
96.99516	0.6
98.15426	0.6
101.02450	5.5
113.02478	3.7
119.03525	5.8
161.04550	2.0
167.68405	0.5
271.20715	3.9
271.72733	0.7
287.20221	0.7
289.21732	2.6
291.23093	0.9
317.21225	12.0
335.22296	100.0
336.22528	4.0
377.23334	5.4
393.41638	0.7
448.52832	0.7
521.87415	0.6
531.33875	0.8
540.12091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.3
60.97889	0.4
61.98835	100.0
71.01397	1.9
76.05966	0.4
85.02988	0.7
88.08751	0.4
89.02474	1.5
98.22603	1.6
101.02484	1.3
107.05100	1.0
113.02467	0.5
144.95369	0.4
161.04602	0.8
179.05722	0.6
313.44656	0.5
318.10654	0.5
319.11325	1.1
481.28305	1.2
508.15277	0.6
521.89490	0.5
541.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29782	4.8
55.59283	5.1
59.01387	89.8
59.69151	4.8
70.63047	12.0
71.01392	57.1
73.02943	17.1
83.01404	5.0
89.02455	100.0
99.00895	20.0
101.02465	53.4
113.02467	9.3
114.86785	5.7
119.98663	5.2
131.03461	14.7
139.78423	5.2
143.76923	5.0
149.04558	89.6
174.52284	5.2
191.05597	9.1
221.06636	5.8
351.63516	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	541.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99316	0.6
55.01863	0.7
57.03438	1.7
59.01390	3.2
61.48814	0.5
61.98832	0.9
69.03467	6.0
69.27195	3.8
71.01377	1.7
71.05021	3.4
72.45033	0.6
73.02945	0.7
80.91652	0.6
83.05025	1.2
90.15130	0.6
97.02953	1.6
97.06612	3.5
98.22629	1.3
99.00890	14.7
106.11131	0.6
109.06614	0.9
110.03768	1.3
110.68512	0.5
123.08167	2.4
125.09744	7.2
151.11288	2.7
153.12869	1.3
161.09749	4.7
163.11305	7.9
167.06343	1.9
179.10782	9.2
181.12381	11.6
185.11749	0.8
197.11844	46.2
198.12160	1.4
199.13426	6.0
207.10287	20.9
208.10689	0.9
223.09752	1.5
225.11342	29.9
226.11618	0.9
241.10835	9.0
243.12395	15.8
293.05579	1.0
297.13541	1.6
299.14902	1.3
305.17877	1.1
315.14536	7.4
317.16037	8.5
345.69626	0.7
497.27509	1.2
523.25793	1.0
541.26587	100.0
542.26868	7.6
545.96515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3027
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
51.76411	0.7
55.01872	1.6
57.03448	2.1
59.01386	100.0
61.98837	18.2
67.92446	0.7
69.19440	1.5
69.19849	2.9
71.01388	28.1
73.02949	12.0
78.95946	0.8
80.91732	1.1
83.01382	4.7
85.02962	12.0
87.00896	1.7
89.02454	7.0
94.50700	0.7
95.01390	2.0
97.02966	1.2
99.00890	4.3
99.04531	0.8
101.02457	22.0
103.04058	0.7
111.00932	0.9
113.02464	14.8
119.03535	1.5
125.02459	1.3
130.08809	1.1
130.22789	0.7
131.03473	1.5
143.03563	2.4
158.89871	0.8
159.03053	3.9
161.04576	31.8
175.04044	2.0
179.05673	1.0
191.05626	0.7
205.03552	1.0
227.03494	5.2
255.03014	9.9
256.03607	0.8
284.03256	10.0
285.03986	4.7
319.22906	2.9
366.02167	1.0
367.03244	2.4
399.07483	0.8
459.09326	12.3
481.28101	23.1
482.28403	1.3
499.29349	1.0
541.22137	0.8
541.31018	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	541.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88079	0.3
59.01382	2.4
60.99311	15.8
61.98833	0.9
71.01380	1.3
71.45193	0.4
73.02930	0.5
75.00889	0.4
80.96564	0.4
85.02968	0.5
87.00864	0.9
88.00375	0.4
88.98812	100.0
89.02453	5.5
96.96030	0.7
98.15057	0.3
101.02438	0.9
111.00847	0.7
113.02453	0.5
146.49883	0.3
149.04553	0.6
160.01804	0.4
267.26074	0.4
333.40781	0.4
355.51984	0.4
472.91925	0.4
533.64709	0.4
541.22736	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	542.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01083	0.8
59.01383	15.5
61.98833	0.6
69.16576	2.6
71.01378	3.1
81.69318	0.5
85.02925	0.9
87.00853	0.6
89.02431	3.8
94.89585	0.5
98.22697	1.0
99.90916	0.5
101.02451	4.2
113.02456	1.8
119.03469	0.8
120.79909	0.5
126.48495	0.6
148.08932	1.5
151.11282	0.7
161.04579	1.9
163.11302	2.4
165.12851	12.8
166.13213	0.6
189.12874	1.1
191.14391	4.9
204.13837	0.5
219.17496	5.8
227.14378	1.0
245.15468	6.3
253.09302	26.8
255.03055	0.7
263.16537	100.0
264.16864	3.4
284.03287	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80123	4.9
53.13971	4.9
55.43029	5.6
58.76471	5.6
59.01383	96.6
61.98835	55.6
66.07605	5.6
69.15961	29.0
71.01389	57.4
77.59969	7.3
85.02957	18.3
87.00916	6.5
88.98800	10.1
89.02449	73.8
90.77493	5.7
93.28785	5.4
98.22634	10.8
99.00933	5.9
101.02442	34.9
111.00886	23.3
113.02466	27.5
119.03507	38.0
125.31519	5.8
143.03427	6.9
161.04591	18.6
179.05591	47.8
215.39130	6.1
217.04161	4.9
234.44768	6.4
271.02551	11.3
300.02695	27.8
301.03552	15.7
357.29352	5.3
463.08762	16.3
499.21976	9.5
499.29123	100.0
525.33112	6.1
542.16418	12.4
542.29938	18.6
543.04492	14.3
559.86377	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	542.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21009	0.5
59.01384	100.0
61.22387	0.5
61.51513	0.6
61.98838	4.1
68.99828	1.4
69.03458	3.3
69.94061	1.1
69.94429	1.1
71.01392	2.3
73.02998	0.7
85.02999	0.8
89.02453	1.4
95.01390	12.8
95.12407	0.6
96.96030	0.8
101.02438	1.1
111.00892	0.8
112.04057	1.7
113.02464	3.8
114.02849	0.6
119.54406	0.6
124.04093	1.7
139.00441	0.9
146.44273	0.6
149.01164	0.6
150.03195	3.8
157.01489	1.2
165.05576	5.5
166.05096	16.9
166.06409	0.9
180.03078	1.3
181.03789	0.7
184.06198	2.0
191.02361	1.1
196.06261	1.1
207.01756	0.7
208.06122	1.1
217.83156	0.6
244.03023	0.7
245.03256	1.0
316.69974	0.7
328.10532	1.6
344.19110	0.6
464.05334	0.6
498.12894	1.1
542.11481	10.8
542.19684	0.8
543.72333	0.6
554.00323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58680	42.9
61.98822	42.9
67.93877	40.6
74.04630	39.8
74.41517	49.5
83.44319	45.3
98.21794	100.0
119.39378	41.8
121.33434	43.7
123.91415	39.6
123.95210	37.0
150.92986	40.6
204.31541	43.9
210.01488	43.5
232.35988	52.7
301.88293	48.2
561.09680	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41403	0.3
57.74638	0.3
59.01384	2.1
65.00323	0.8
80.38397	0.3
107.01393	1.2
108.93203	0.3
112.79269	0.3
117.03477	0.6
132.02191	1.2
135.00919	0.7
151.00400	1.3
159.04512	0.4
163.00397	0.7
164.01135	0.4
167.05014	0.4
182.03693	0.5
183.04549	2.5
185.02480	0.8
187.04102	0.5
199.04004	0.7
211.04018	2.4
213.02054	0.4
227.03511	48.6
228.03917	1.8
229.05070	0.5
239.03557	0.4
249.05807	0.4
249.67757	0.3
252.03960	0.4
255.02997	77.1
256.03555	5.6
257.04431	0.4
283.02512	10.6
284.03278	100.0
285.03909	11.3
381.06168	10.3
381.11026	0.4
382.06604	0.4
441.08197	5.0
483.09335	2.7
501.10294	1.0
543.11499	27.5
544.11786	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	543.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39590	0.7
55.02210	0.8
56.86270	0.7
59.01383	2.9
60.06131	0.6
61.98840	1.0
71.39771	1.0
72.92114	0.8
90.96160	0.8
101.61075	0.7
107.01378	1.4
117.53320	0.7
124.69465	0.6
132.02197	1.2
135.00848	1.1
151.00389	1.2
183.04619	1.4
185.02481	0.7
211.04042	2.1
227.03520	39.9
228.03862	1.2
255.03006	72.7
256.03625	5.5
283.02481	4.8
284.03287	100.0
285.04007	14.2
307.19238	2.7
381.06204	1.1
399.07147	2.0
441.08188	2.8
483.09473	2.4
543.11475	34.4
544.11591	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
57.03451	5.6
59.01119	3.9
59.01385	49.3
59.57403	2.7
61.98826	7.0
66.41623	2.7
69.03438	3.1
69.37626	13.7
71.01387	16.1
71.05019	5.3
72.09364	2.4
73.02950	4.3
79.43945	2.5
83.01349	4.2
83.05003	2.8
85.02917	5.9
89.02445	12.7
89.21846	3.4
94.72694	2.9
97.02955	5.7
97.06572	6.9
99.00891	35.6
101.02453	15.4
109.06609	3.7
110.03753	6.0
113.02419	8.8
119.03532	3.3
122.42573	3.2
123.08174	4.0
125.09733	20.0
161.04488	6.5
163.11307	22.7
163.70439	3.1
165.12796	3.2
181.12329	30.2
185.11798	7.8
191.14467	6.8
197.11794	11.1
199.13431	16.0
199.14966	3.3
207.10252	46.3
209.11818	5.7
225.11330	78.5
226.11960	2.9
243.12392	65.7
244.12657	3.3
245.19063	22.3
253.09265	32.6
255.02884	3.3
263.16553	9.6
264.16846	11.0
271.17145	3.1
284.03207	3.2
289.14944	6.2
289.18100	100.0
290.18433	6.4
307.15891	4.1
307.19159	48.8
317.16116	40.0
318.15891	3.0
340.63858	3.0
462.10620	3.0
483.29767	10.5
501.30301	3.2
525.26825	11.1
543.11755	3.2
543.28021	93.9
544.28412	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	543.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03452	1.8
59.01385	100.0
60.01724	0.8
61.98846	1.4
71.01390	28.8
72.99327	0.9
73.02957	3.6
83.01402	2.0
85.02979	5.0
87.00872	1.6
89.02457	34.8
95.01426	1.7
99.00896	1.2
101.02455	19.7
113.02465	13.9
119.03521	16.4
119.04337	1.1
121.02994	2.2
125.02478	1.1
131.02682	0.7
131.03554	2.9
133.01421	0.8
143.03481	4.7
149.04585	2.2
161.04587	12.7
171.10268	1.1
179.05623	22.6
179.57536	0.6
190.80801	0.7
390.60065	0.8
483.29694	46.2
484.30286	2.7
525.26880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54111	0.3
54.55028	0.3
59.01384	100.0
60.01713	0.6
61.98838	1.8
69.18548	1.6
69.18963	0.7
71.01385	4.5
73.02959	1.5
83.01418	0.8
85.02956	2.0
87.00906	0.5
89.02464	1.3
99.00868	0.5
101.02442	3.4
111.00959	0.3
111.88496	0.3
113.02460	2.0
118.19009	0.4
143.03502	0.4
144.87741	0.4
159.02995	0.4
161.04581	3.5
179.05667	0.4
186.16415	0.3
217.45174	0.4
283.02280	0.4
483.29730	11.9
484.30209	0.7
527.28778	0.7
543.23669	0.6
543.31744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03456	1.3
57.38159	0.7
59.01382	100.0
61.98827	8.2
67.23477	0.6
71.01385	30.6
71.17609	0.6
73.02947	10.6
76.70540	0.7
83.01390	4.2
85.02958	15.2
85.79615	0.6
87.00880	1.3
87.04562	1.3
88.94466	0.7
89.02448	4.1
94.98093	2.1
95.01408	2.1
97.02979	0.7
98.21858	1.1
99.00380	0.8
99.00877	4.2
101.02448	24.2
101.03101	1.6
111.00950	0.8
113.02454	14.6
118.50819	0.7
123.04495	0.6
125.02448	1.4
136.40970	1.0
143.03571	2.0
149.04648	0.7
150.83099	0.8
159.00703	0.6
159.03000	3.7
161.04570	30.7
176.61577	0.7
227.30684	0.7
245.48244	0.7
321.24564	1.8
483.29663	73.5
484.29855	3.5
543.32227	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	544.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98836	100.0
69.33707	1.4
71.01402	0.6
73.02951	0.3
77.88744	0.2
85.15255	0.3
89.02457	0.5
97.32053	0.2
101.02490	0.5
104.12257	0.2
133.23892	0.3
143.98701	0.3
484.25140	0.6
522.14008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98833	100.0
69.11169	0.2
69.11567	0.9
71.01389	0.5
73.02944	0.3
75.30758	0.2
85.54529	0.2
89.02480	0.4
99.00831	0.2
101.02441	0.4
107.22659	0.2
111.00971	0.2
149.04477	0.2
157.04398	0.2
191.05682	0.3
226.79156	0.2
407.95242	0.2
464.12149	0.3
484.24942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07578	0.3
59.01385	100.0
60.01729	0.6
60.66406	0.3
64.30931	0.3
69.55162	1.5
82.62591	0.3
85.02985	0.3
98.21938	0.7
106.00636	0.3
155.61006	0.3
163.32492	0.3
179.36780	0.3
198.06500	0.4
252.85454	0.3
420.20370	0.6
428.50754	0.4
434.22296	1.8
452.23203	0.7
544.08368	0.5
544.28058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67274	0.6
55.01892	1.4
57.03175	1.1
57.03453	20.1
59.01082	1.2
59.01383	21.2
61.98836	4.3
67.01891	1.0
69.03437	0.9
69.12573	4.2
71.01389	23.2
73.02954	9.3
75.00848	1.1
81.03510	0.8
83.01396	2.3
85.02959	13.1
88.19817	0.6
89.02449	9.3
93.03469	1.7
97.02965	0.8
99.00891	8.1
99.04535	2.6
101.02450	16.3
107.05039	100.0
108.05434	1.2
111.00883	9.1
113.02461	10.3
119.03487	1.0
121.02956	1.2
123.04482	1.0
125.02456	2.6
129.01930	1.6
131.03511	1.7
143.03523	1.7
149.04565	2.5
159.00060	0.7
159.03009	2.0
161.04576	17.2
169.01407	1.4
173.04585	1.7
179.03514	2.0
191.05626	7.3
191.07208	1.3
265.05103	1.0
266.05896	2.6
267.06430	0.7
269.10303	2.9
303.13031	0.8
309.07599	1.0
311.11313	1.9
353.06674	11.2
383.13092	1.5
401.14529	60.0
402.14978	2.9
443.15634	25.1
444.16202	0.9
483.18713	4.1
503.25195	1.0
545.18829	10.9
545.26129	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	545.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40321	2.8
54.79527	2.6
55.74078	3.3
59.01389	19.8
61.98845	5.1
67.92921	2.8
69.12917	17.3
69.94144	2.6
70.60260	2.8
71.01400	3.8
81.07368	3.0
84.80845	2.5
98.22717	5.5
101.02470	4.4
113.02412	4.0
144.56392	3.0
161.56430	2.9
174.56459	3.2
187.34641	2.9
228.35779	3.1
249.18628	100.0
253.09367	18.4
302.19022	2.8
309.20712	8.0
463.62637	3.0
545.29724	4.1
574.32941	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	545.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03438	1.2
59.01386	9.6
61.98819	0.6
69.03459	0.4
71.01389	6.3
73.02934	1.5
81.86123	0.3
83.01407	0.5
83.05031	0.5
85.02965	1.9
87.00885	1.6
89.02453	5.3
91.04024	0.3
92.73915	0.3
93.03484	0.5
95.01384	0.6
97.02959	0.7
97.06600	1.4
101.02462	5.8
108.72281	0.3
111.00882	0.3
111.08173	1.0
113.02453	2.9
113.09721	1.7
115.07676	0.8
119.03513	1.5
123.00912	0.3
123.04576	0.3
126.06873	0.5
127.07771	0.4
139.11339	0.5
141.09222	1.0
142.83455	0.3
143.03545	0.3
148.18098	0.2
151.11333	0.3
153.12869	0.4
159.04462	0.3
161.04576	2.6
163.11337	0.6
165.12880	2.5
167.10832	0.5
167.14430	1.7
173.04617	0.8
173.06038	0.5
179.05608	0.5
179.14430	0.5
181.12389	3.2
183.13948	0.8
187.07761	0.4
191.05597	2.9
193.12367	1.6
193.15971	0.6
195.13884	2.7
197.11891	1.2
199.13467	0.4
200.04706	0.3
200.34708	0.3
211.13370	3.0
212.13870	0.3
213.14952	0.6
215.07140	1.8
217.05913	0.3
217.15901	0.5
221.15523	1.9
223.13348	0.4
229.14507	0.5
235.08369	0.4
240.13721	0.9
241.14444	0.4
247.20683	4.0
249.39473	0.3
253.09299	18.2
255.16148	0.4
263.20166	0.9
265.21799	0.6
266.93610	0.3
273.18710	2.2
281.21207	1.4
291.19684	33.6
292.19998	1.5
309.20737	100.0
310.21078	4.2
311.22336	0.5
462.69815	0.3
545.22754	0.6
545.29828	10.6
546.30316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62516	0.5
57.03463	0.9
59.01088	1.1
59.01382	13.9
59.01659	0.8
61.98853	1.8
69.03499	0.7
69.12344	1.6
69.12766	1.8
71.01385	7.7
71.01728	0.5
73.02977	1.5
81.03468	0.5
81.30950	0.6
83.01443	0.8
85.02985	2.1
89.02454	6.8
95.05036	0.6
97.02998	0.8
98.21885	1.1
101.02462	7.7
110.03751	0.5
113.02452	3.1
119.03519	1.2
125.09763	1.1
137.09682	0.6
141.12860	0.6
153.12865	0.5
161.04570	2.9
163.11311	3.3
165.12874	7.1
166.10033	0.6
177.12798	0.8
179.05638	1.0
179.14445	2.3
181.12401	2.0
185.11819	0.6
191.05666	2.3
193.16016	1.9
197.11909	2.1
198.48169	0.5
207.45251	0.5
209.11919	1.6
223.13457	2.9
247.20671	7.8
253.09306	27.6
253.93340	0.5
254.09703	0.8
273.18658	3.4
291.19696	85.6
292.20029	3.1
309.20737	100.0
310.21149	3.6
328.75583	0.5
468.88541	0.5
545.20111	0.8
551.94806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30024	1.0
56.28547	1.1
59.01382	10.6
61.25938	0.9
61.98825	1.2
71.01365	3.8
73.02962	1.2
83.05025	1.1
85.02943	2.7
87.00878	3.8
89.02440	4.9
93.03476	1.4
97.50918	1.0
98.22679	2.5
101.02430	3.6
111.08174	1.4
113.02451	2.9
153.12828	3.1
159.04395	1.3
160.05222	1.4
161.04587	3.4
173.04585	1.2
179.14442	1.1
181.12355	2.8
189.05513	1.3
191.05583	4.4
197.11806	1.6
199.13347	2.3
207.13829	2.1
215.07130	2.6
228.03931	1.5
229.04053	1.9
247.20645	3.4
253.06873	1.8
253.09306	18.7
255.02977	4.2
256.03479	1.4
257.03549	2.9
263.20251	1.3
273.18765	2.3
284.03217	4.7
285.03662	3.7
286.03931	5.7
291.19675	27.1
309.20731	100.0
310.21094	2.9
310.63980	1.2
545.12097	5.0
545.22601	6.2
545.30927	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01382	9.5
61.98840	1.4
71.01395	4.6
73.02950	0.8
80.60886	0.7
85.02961	1.3
86.61292	0.7
87.00841	1.2
89.02448	3.5
93.03476	0.8
97.02939	0.8
101.02447	5.4
111.08176	1.9
113.02486	2.8
119.03514	1.2
127.11317	0.9
151.11206	1.0
153.12889	3.1
160.32486	0.6
161.04559	1.7
167.10751	0.9
179.14426	1.0
181.12354	3.3
184.04813	0.7
191.05664	3.3
193.15988	0.8
197.11824	2.6
199.13440	1.1
207.13875	2.4
211.03969	0.9
215.07242	1.6
215.12868	1.9
227.03522	12.5
228.03841	10.4
228.13565	0.8
229.04025	8.1
247.20757	4.2
253.09306	16.3
255.03012	17.6
256.03336	16.5
257.03574	17.4
258.04166	1.3
273.18631	1.8
281.21371	1.4
283.02402	2.0
284.03250	22.1
285.03589	22.1
286.03867	22.4
287.04434	2.4
291.19699	25.6
309.20734	100.0
310.21063	2.5
311.22568	0.7
383.06741	3.6
413.23181	0.8
433.54980	0.8
443.08960	2.3
485.10046	2.0
545.12097	18.5
545.20996	1.5
545.22510	1.0
545.29767	9.5
546.12189	1.1
546.30084	0.8
573.22900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05886	1.6
55.01879	2.9
57.03449	2.1
57.03738	1.3
59.01386	46.9
60.01712	2.7
61.98840	16.5
62.00532	1.2
69.61140	1.5
71.01022	2.3
71.01391	38.4
72.99321	1.7
73.02953	16.8
78.03512	3.4
83.01399	4.5
85.02967	16.3
87.00890	4.8
87.04523	3.1
89.02448	8.5
95.01382	2.5
96.96004	5.2
97.02934	1.8
99.00871	3.8
101.02459	19.9
101.36983	1.7
103.04025	3.0
106.02989	16.8
107.03789	10.1
113.02466	17.3
115.04030	4.0
119.03516	2.8
125.02502	2.3
127.88825	1.4
131.03493	3.3
134.02493	8.0
143.03514	9.2
151.02756	20.4
159.03065	2.8
161.04575	47.1
163.06107	1.5
166.05112	100.0
167.05437	2.0
176.04779	2.4
189.39938	1.7
191.05431	1.7
205.07115	7.1
235.06299	1.5
297.63992	1.4
325.09076	1.9
328.10446	10.5
474.09296	2.5
474.16141	53.4
475.16354	3.1
546.14703	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	546.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.5
60.01730	0.4
61.98835	100.0
69.29144	1.9
71.01396	1.4
71.04990	0.3
71.25596	0.3
74.26079	0.3
78.57993	0.3
81.45567	0.3
82.95460	0.3
85.02972	0.5
89.02481	1.1
99.00906	0.4
101.02450	1.0
102.05640	0.4
113.02465	0.5
160.04120	0.4
161.04536	0.4
191.05716	0.7
202.08253	0.4
215.21756	0.4
260.20721	0.3
270.04199	1.1
350.53830	0.4
417.25134	0.4
442.23450	0.4
455.02640	0.4
464.12408	0.6
544.66278	0.4
546.29553	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.22
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70892	0.5
53.84684	0.6
54.95852	0.7
59.01384	7.1
61.98836	100.0
71.01377	3.5
73.02953	1.6
76.74118	0.6
83.01404	0.8
83.63725	0.5
85.02958	1.6
87.00890	0.8
89.02477	2.0
101.02474	1.9
102.05631	1.3
112.97093	0.5
113.02492	1.1
125.63680	0.7
126.04572	0.5
128.03593	1.7
128.68002	0.5
131.03549	0.9
149.04533	0.8
159.82596	0.6
161.04529	0.5
169.06000	0.9
191.05681	0.9
221.45399	0.6
271.02625	0.7
286.06824	0.6
295.15353	0.7
298.48419	0.6
328.04803	1.5
329.04926	1.8
417.25089	1.9
486.23990	1.4
546.29059	3.7
547.28387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	60.4
59.14062	1.6
61.98825	2.3
68.52349	1.6
69.23826	9.2
71.01387	41.8
73.02962	6.1
74.95004	1.6
81.85154	1.5
83.01427	3.0
85.02967	8.8
87.00877	3.6
89.02450	76.7
94.98090	2.5
100.56329	1.6
101.02457	41.5
104.57708	1.5
111.00900	6.2
113.02447	9.0
119.03515	6.3
125.02407	2.6
131.03513	35.6
149.04568	100.0
161.04558	2.3
191.05618	20.9
215.49454	1.7
251.07608	2.4
265.88177	1.6
271.98819	1.6
287.03946	1.6
293.08588	1.7
311.10028	3.7
431.50708	1.6
477.36581	1.6
503.24622	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	546.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84499	1.4
57.03456	2.1
57.58736	2.0
58.00611	1.7
59.01384	64.3
61.98834	3.3
69.50129	2.8
69.50517	3.7
71.01389	45.8
73.02966	8.8
76.14540	1.9
83.01408	2.9
85.02962	14.7
85.25330	1.6
87.00891	5.6
89.02455	75.5
93.03457	1.8
96.96015	9.2
98.21927	2.8
99.00833	2.1
101.02455	44.5
108.34528	1.5
111.00896	14.8
112.01270	3.0
113.02458	14.5
119.03519	4.6
121.47678	1.7
125.02511	2.1
131.03517	30.1
143.03584	2.4
149.04573	100.0
161.04530	4.0
175.02452	3.2
177.05569	6.3
178.05931	6.5
179.05679	1.8
185.24202	1.7
191.05606	16.6
251.07733	4.8
293.08777	3.2
311.09747	3.9
354.06723	1.9
487.15106	3.0
503.25247	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	546.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.7
59.01382	77.8
69.12582	19.1
69.12891	5.6
71.01383	45.0
73.02944	11.9
78.41640	3.3
78.56770	2.7
83.01392	5.4
85.02961	11.9
87.00890	5.5
89.02452	88.4
99.71550	2.7
101.02441	43.9
111.00914	3.2
113.02467	16.5
119.03516	10.8
125.02470	3.4
131.03505	34.9
143.03525	3.0
148.47536	2.9
149.04564	100.0
161.04607	7.3
167.19247	3.1
174.23563	3.1
179.05624	3.5
191.05577	14.7
218.18379	3.1
293.08951	4.5
371.20718	3.3
465.23920	2.9
503.25027	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	546.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01740	0.9
61.98858	1.0
71.01394	1.6
72.23740	0.6
87.00896	1.0
102.32418	0.6
109.60773	0.6
111.00858	1.0
116.35345	0.6
230.98433	0.7
276.01346	0.7
299.45148	0.7
318.17209	0.8
320.15143	2.0
364.17691	12.6
376.17664	1.0
390.19351	1.0
392.36133	0.7
418.18747	11.1
436.19769	4.9
454.21201	1.4
486.23416	1.2
546.25647	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	546.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03448	2.4
58.00616	1.4
59.01388	71.0
61.98838	18.9
69.27460	2.0
69.27815	8.6
71.01392	48.9
72.99311	1.7
73.02952	12.4
83.01411	4.9
85.02956	12.0
87.00883	9.4
89.02457	46.1
96.96011	2.0
97.02953	2.6
99.00886	3.5
99.04560	2.3
101.02456	29.5
107.05015	3.8
108.05389	1.7
109.02950	2.2
111.00866	7.8
112.31063	1.5
113.02444	11.9
118.08616	1.6
119.03526	5.5
121.02976	2.8
123.04546	3.8
125.02438	3.5
131.03523	16.0
142.55630	1.5
143.03510	3.8
149.04575	17.5
161.04562	5.8
169.01506	2.2
171.48396	1.6
179.05568	3.1
191.05612	8.4
232.02567	1.9
233.06709	3.5
233.20769	1.5
241.10675	2.0
278.60822	1.6
297.12326	1.6
310.61642	1.6
371.20883	13.1
439.48535	1.5
503.25070	100.0
504.25311	6.0
529.66602	3.4
546.26178	3.1
547.28088	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	546.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44772	0.6
57.03454	0.8
59.01381	13.5
61.98833	100.0
71.01390	7.5
71.21089	0.6
73.02955	2.3
78.91895	3.5
80.91673	2.9
83.01385	1.0
85.02934	3.0
87.00875	1.0
88.98839	1.3
89.02450	7.0
96.96001	0.7
99.00896	1.1
99.04539	1.0
101.02454	5.7
111.00923	2.1
113.02455	2.9
119.03503	1.5
121.02990	0.7
125.02450	1.5
125.92490	0.7
131.03532	1.8
135.04565	1.2
149.04579	4.1
160.04044	0.7
161.02556	0.9
161.04533	1.5
163.04089	0.8
175.04002	1.0
190.02774	1.3
191.05634	1.5
205.05083	1.1
273.04810	0.9
349.20618	0.7
366.11121	0.8
490.72238	0.8
503.24979	1.9
511.25653	0.8
546.27722	2.2
547.27271	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	546.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44772	0.6
57.03454	0.8
59.01381	13.5
61.98833	100.0
71.01390	7.5
71.21089	0.6
73.02955	2.3
78.91895	3.5
80.91673	2.9
83.01385	1.0
85.02934	3.0
87.00875	1.0
88.98839	1.3
89.02450	7.0
96.96001	0.7
99.00896	1.1
99.04539	1.0
101.02454	5.7
111.00923	2.1
113.02455	2.9
119.03503	1.5
121.02990	0.7
125.02450	1.5
125.92490	0.7
131.03532	1.8
135.04565	1.2
149.04579	4.1
160.04044	0.7
161.02556	0.9
161.04533	1.5
163.04089	0.8
175.04002	1.0
190.02774	1.3
191.05634	1.5
205.05083	1.1
273.04810	0.9
349.20618	0.7
366.11121	0.8
490.72238	0.8
503.24979	1.9
511.25653	0.8
546.27722	2.2
547.27271	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	546.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18582	1.7
59.01371	2.1
69.14703	10.8
71.01399	1.6
89.02459	2.6
95.61624	1.6
96.62606	1.8
101.69798	1.6
172.54443	1.7
253.09334	12.8
267.23300	100.0
268.23615	3.5
362.29095	1.5
505.61490	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1097
Annotation	Quercetin 3-(3'',6''-diacetylgalactoside)
Peak:m/z	Relative Intensity
55.38551	0.6
59.01384	3.4
59.77849	0.6
61.98840	1.5
64.78462	0.6
65.00326	0.9
65.51556	0.5
69.68725	1.1
69.69112	1.1
71.01431	0.6
92.12401	0.6
95.88245	0.6
97.88099	0.6
98.35838	0.6
107.01399	1.6
108.02180	2.0
135.00870	0.9
148.01718	1.4
151.00378	4.0
178.99847	1.6
199.03993	1.2
211.04288	0.6
215.03511	0.8
226.02643	1.0
227.03593	3.4
243.02998	12.5
254.02200	2.3
255.02997	26.5
256.03470	1.0
271.02490	61.9
272.02975	3.4
299.02094	5.8
300.02759	100.0
301.03473	12.2
336.80234	0.6
373.04468	0.6
445.55658	0.7
478.89423	0.7
487.08783	3.8
505.09985	3.2
547.10956	24.5
548.11414	1.1
572.89978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
61.98836	1.5
65.00341	0.5
71.01385	0.6
71.78345	0.2
83.01398	0.5
85.02989	0.4
89.02450	0.5
100.71790	0.3
101.02469	0.4
107.01372	1.2
108.02187	1.5
109.02900	0.3
121.02980	0.4
135.00912	1.0
136.01723	0.3
148.01653	1.6
149.04547	0.3
151.00386	3.9
163.00377	0.9
164.01166	0.5
171.04453	0.3
178.99893	1.8
185.02493	0.3
188.04988	0.2
198.03212	0.3
199.03999	1.1
203.03444	0.4
211.03969	0.6
215.03581	0.9
216.04211	0.5
226.02771	1.5
227.03523	2.8
243.02991	10.3
244.03596	0.6
254.02211	1.8
255.02992	23.1
256.03378	0.6
271.02496	54.3
272.03006	2.6
273.04007	0.4
283.02243	0.3
283.59238	0.3
299.01987	5.4
300.02765	100.0
301.03436	9.9
348.50473	0.3
487.08832	2.1
505.03525	0.2
505.09952	6.0
547.10980	22.4
548.11346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
59.01655	0.3
59.18129	0.3
61.98843	1.8
63.45533	0.3
65.00356	0.4
66.41754	0.3
71.01405	1.2
73.02975	0.4
83.01407	0.3
85.02970	0.3
89.02464	0.8
94.91796	0.3
98.22612	0.6
101.02506	0.8
107.01444	0.8
108.02165	1.5
109.02979	0.5
110.22781	0.3
113.02456	0.4
121.02978	0.3
125.02499	0.4
133.98257	0.3
135.00893	0.7
135.04568	0.4
135.23009	0.3
142.68066	0.3
146.35201	0.3
148.00681	0.3
148.01715	1.4
149.04605	0.4
151.00391	1.9
163.00375	0.9
164.01262	0.4
175.04124	0.4
178.99899	1.4
193.06546	0.8
198.03355	0.3
199.04102	1.0
201.02026	0.6
203.03564	0.4
211.04018	0.4
215.03539	0.8
226.02742	1.3
227.03513	2.6
243.03001	10.0
244.03581	0.4
254.02245	2.1
255.03000	22.0
256.03433	0.7
271.02502	52.3
272.03027	2.6
286.50021	0.4
288.06641	0.4
299.02011	5.4
300.02768	100.0
301.03287	5.6
308.05624	0.5
309.06494	0.5
322.07172	0.6
332.05643	0.7
334.03418	0.3
349.06076	0.5
350.06671	6.6
351.07086	0.5
364.08151	0.6
387.94385	0.4
416.56491	0.3
427.06683	0.7
445.07864	0.9
487.08902	1.5
505.09888	4.0
515.11078	1.8
547.11005	23.5
547.31213	1.5
548.11346	1.3
564.17120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01385	8.8
60.01709	0.4
61.01790	0.4
61.98837	5.6
65.00330	1.0
69.42938	1.9
71.01385	5.0
73.02956	1.4
83.01409	1.4
85.02958	1.6
87.00891	0.6
89.02462	4.7
97.02982	0.4
99.00916	0.9
101.02457	3.4
101.06121	0.6
107.01391	1.6
108.02195	2.2
109.02975	0.9
111.00880	0.5
113.02441	2.1
119.03504	0.5
121.02950	1.3
124.01671	0.5
125.02453	0.6
131.03497	0.9
135.00912	0.7
137.02414	0.7
148.01686	1.4
149.04541	2.1
151.00377	6.6
160.03906	0.4
161.04599	1.0
163.00391	1.9
164.01189	0.5
174.03281	0.5
175.00624	0.5
175.03983	0.5
178.99858	2.8
183.04523	0.4
191.05646	1.0
192.00664	0.4
198.03156	0.6
199.04012	1.2
201.01930	0.6
203.03436	0.6
211.03967	1.3
215.03490	1.0
216.04236	1.1
226.02757	2.8
227.03529	3.7
228.03981	0.5
229.05031	0.8
243.02988	14.2
244.03395	0.6
245.04379	0.8
254.02194	3.6
255.02995	23.4
256.03445	1.3
271.02499	68.4
272.03049	3.7
273.03857	0.5
283.02490	0.6
284.03073	0.5
299.02002	1.7
300.02768	100.0
301.03467	19.1
340.26889	0.4
385.22369	0.5
415.23410	1.2
487.08804	0.8
505.09909	12.7
506.10272	0.8
547.10980	56.7
547.27490	6.1
548.11023	3.3
548.28625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.6
59.01384	55.6
60.01724	1.7
61.98837	74.4
69.40382	6.0
71.01392	4.0
73.02945	3.6
85.02954	4.8
96.96029	2.8
101.02441	2.1
108.02151	2.5
111.00904	7.0
113.02444	1.9
119.05012	1.7
123.04531	4.1
127.63895	1.4
134.03758	8.6
135.04530	2.4
145.02959	1.8
148.05298	4.6
149.06082	6.7
159.04550	1.9
161.04601	1.8
163.04037	4.6
164.04799	2.6
166.05066	1.8
167.05325	1.7
175.03986	4.2
176.04797	65.2
177.05487	3.1
179.07130	3.6
191.07146	75.1
192.07497	2.3
193.04977	2.8
194.05922	2.0
220.03725	2.6
221.08226	1.8
223.06197	1.6
235.06136	58.6
236.06465	2.2
245.08257	2.2
253.07201	4.6
256.03043	1.4
263.09247	2.9
265.07178	4.3
281.10385	5.8
325.09302	100.0
326.09628	5.3
326.13626	2.2
349.70676	1.4
362.69073	1.5
397.11298	7.2
431.72958	1.6
475.16830	2.1
547.16504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04351	17.8
58.47293	22.2
59.01389	34.0
71.01378	24.9
87.00889	32.0
98.21877	84.3
195.58548	17.9
209.11845	29.0
253.09373	24.6
263.01108	21.8
311.22327	100.0
330.85663	28.4
389.56299	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	547.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.9
70.84776	1.8
71.01388	2.3
74.52654	0.9
74.95346	0.9
85.02964	0.9
89.02451	1.6
101.02437	1.7
111.89388	1.0
112.29917	1.0
113.02451	1.3
119.03525	1.6
179.05652	1.3
251.20184	100.0
252.20554	2.8
253.09303	12.9
462.60410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	4.3
59.01388	52.4
61.98835	78.2
63.99263	3.4
71.01397	21.0
72.18784	2.2
73.02946	7.4
78.95882	2.8
83.01382	3.4
85.02971	5.0
87.00868	4.5
88.04071	2.3
89.02455	33.7
99.00877	3.6
101.02468	15.7
105.13321	2.3
110.59467	2.5
113.02452	4.7
126.99580	13.1
131.03491	9.6
149.04591	16.2
152.99579	5.1
167.06335	100.0
169.43114	2.6
191.05688	2.9
199.12894	2.6
211.05330	69.1
212.05560	3.3
308.19577	3.0
386.12347	3.5
511.03326	2.8
547.28082	3.3
548.27527	13.3
550.49847	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	548.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	84.8
61.98836	100.0
69.17129	18.1
71.01382	24.9
73.02962	9.0
74.02502	5.6
78.95930	7.9
85.02952	10.0
89.02449	37.5
95.01387	5.3
99.00907	7.5
101.02454	20.1
113.02484	6.9
119.62474	3.9
125.02463	14.1
126.99591	10.6
131.03532	6.3
149.04572	19.5
152.99628	14.7
153.52043	4.3
161.04613	7.3
167.06340	48.5
191.05653	9.4
201.11288	6.4
211.05315	27.0
217.06622	6.2
217.54825	4.2
218.06917	6.7
225.06927	4.3
243.06641	9.5
293.08859	11.3
548.26782	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	548.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00959	0.6
59.01385	79.9
61.98829	2.6
69.61259	2.8
71.01398	1.0
76.68824	0.8
90.10915	0.7
96.96022	1.7
100.23093	0.8
101.02440	1.0
109.97051	0.7
113.02493	1.0
181.05008	0.9
198.88397	0.9
225.05528	1.4
236.04601	0.8
237.05676	1.5
242.84425	0.8
251.07228	1.9
252.07991	0.9
252.10236	5.0
253.05077	2.1
264.06671	0.9
265.11121	1.7
268.07489	1.8
279.08984	1.0
280.09814	47.1
281.10553	14.3
282.07938	1.0
294.11224	1.4
295.12164	35.0
296.09338	2.8
296.12869	8.1
311.11487	2.3
326.13989	100.0
327.14444	4.3
488.20108	1.2
549.16071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28725	0.4
57.96240	0.5
60.70333	0.4
61.08881	0.4
61.98835	100.0
70.19450	1.0
70.19801	0.8
75.53912	0.4
90.71760	0.5
109.54956	0.5
119.01893	0.4
125.42800	0.4
250.19061	0.5
320.39734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59837	1.3
52.92308	1.5
54.00795	1.5
61.98837	100.0
68.80924	1.5
74.15868	1.6
81.58485	1.5
85.96915	1.6
98.22668	5.6
127.46383	1.6
142.75784	1.6
165.47942	2.2
172.34187	1.6
213.51932	1.6
344.24542	1.8
562.57147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38092	0.9
55.01865	2.2
56.99809	1.0
57.03450	2.0
58.00607	1.2
59.01382	45.3
61.98815	1.2
69.07524	0.8
69.15493	3.0
69.15898	2.9
70.98589	0.9
71.01387	34.1
72.99319	1.1
73.02951	8.9
83.01394	4.8
85.02965	9.7
87.00885	2.1
89.02452	34.8
90.02774	1.4
96.73775	1.0
99.00876	1.9
101.02448	31.8
102.10174	0.9
111.00886	2.6
113.02455	11.1
119.03510	2.8
119.36086	0.9
125.02468	1.8
131.03506	16.4
143.03496	2.7
149.04578	25.7
150.04865	2.6
151.04060	1.2
161.04568	6.3
164.27556	0.9
173.04768	0.8
191.05591	3.8
233.06656	2.2
251.07710	1.1
269.62054	1.0
279.86722	0.9
302.61908	1.0
373.22363	22.0
502.22968	1.2
505.26575	100.0
506.26730	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.9
57.03436	2.6
59.01385	37.2
61.60535	2.0
69.86517	3.2
71.01385	43.2
73.02955	18.2
75.85652	2.1
83.01395	4.3
85.02974	11.9
86.84305	2.5
89.02450	33.1
97.02982	2.7
98.21919	3.6
99.00910	10.8
101.02460	35.6
113.02435	12.3
118.59766	1.9
119.21996	1.9
125.02460	4.1
131.03464	5.9
141.23505	2.2
149.04579	18.7
156.16341	2.1
159.03015	2.7
159.85405	2.1
161.04575	10.4
174.92613	2.1
176.34526	1.9
191.05705	3.8
373.22348	17.2
387.14505	2.9
505.26575	100.0
506.26913	6.3
538.32849	2.3
548.15100	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78059	0.2
61.98824	0.4
70.01836	0.8
77.03983	1.9
121.02969	100.0
122.03310	1.6
165.01945	53.9
166.02293	0.7
178.69423	0.3
179.05202	0.3
180.05862	0.6
181.06596	2.9
197.06142	2.3
207.04565	1.1
207.08093	0.3
223.04080	0.5
225.05605	1.4
257.09717	0.6
285.09335	0.3
286.40396	0.3
313.07257	1.9
329.08432	0.3
357.06177	1.0
361.39496	0.3
383.07794	0.8
417.09729	2.6
505.11383	1.8
549.10461	27.5
550.10779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
57.03442	1.1
59.01383	16.4
61.98834	0.7
69.03458	1.0
69.41698	2.3
71.01384	8.9
72.99297	2.0
73.02943	1.4
81.03452	0.7
83.01392	1.5
85.02953	6.4
87.00893	1.0
88.98824	0.8
89.02445	5.7
95.01429	2.4
97.02939	3.0
99.00900	1.1
99.04520	0.7
101.02439	6.9
109.03000	0.8
113.02453	12.4
119.03511	3.7
121.02964	100.0
122.03294	1.6
125.02452	1.9
127.04008	0.9
131.03494	2.1
133.01688	1.3
135.04532	1.6
138.58620	0.5
143.03477	0.5
147.04514	0.6
148.04041	0.8
149.04588	1.0
151.00374	0.5
161.04588	3.3
161.56471	0.5
163.04021	8.7
166.56932	0.4
173.04649	1.3
174.18449	0.5
176.97987	0.5
180.03052	3.1
193.05067	5.0
215.05637	5.5
224.37645	0.5
243.03043	0.6
243.75542	0.5
244.03421	0.8
253.07147	3.7
255.03107	1.5
256.03488	1.0
257.03641	1.7
258.18024	0.5
271.02505	2.3
272.02930	2.7
273.03021	3.5
295.08411	1.3
299.04468	1.8
300.02756	4.7
301.03094	5.1
302.03268	7.2
303.04205	0.9
314.06744	0.6
345.08948	0.5
346.09460	3.5
350.39490	0.4
427.12396	9.2
507.11096	0.8
549.16644	19.7
549.30194	2.4
550.16321	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	549.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75351	1.3
59.01384	50.3
61.80403	1.2
61.98846	2.0
71.01382	31.3
73.02953	3.5
80.01119	1.2
83.01386	1.8
85.02951	6.3
85.22249	1.3
87.00893	13.9
89.02452	33.9
93.03474	3.0
95.01405	1.5
96.96045	2.1
99.00887	1.9
101.02444	17.1
108.02173	2.1
109.02993	2.0
113.01764	1.7
113.02465	10.9
115.00361	1.5
117.03503	1.6
119.03506	13.5
119.05019	10.8
121.03019	1.3
131.03540	1.8
134.03741	38.1
134.04718	2.4
137.02495	1.4
143.03502	5.6
143.07207	1.7
143.10797	1.9
145.02971	2.7
147.04575	5.6
148.05331	9.4
149.02438	3.3
149.04575	4.5
149.06105	7.9
159.04463	1.3
161.04573	7.0
161.06023	2.6
162.03258	2.0
163.04019	9.1
164.04785	2.6
177.05580	4.0
178.02731	7.2
178.06302	1.9
179.05707	8.0
179.07057	2.4
191.05594	2.6
193.01436	1.3
193.05063	20.7
207.06592	6.1
213.05582	2.7
223.06133	3.1
223.52617	1.2
225.88354	1.4
229.07643	1.8
241.05122	20.2
250.06262	1.7
252.08148	1.4
255.06657	5.6
256.07416	13.2
267.06653	5.4
268.07486	4.3
269.08301	2.1
270.09064	3.9
271.09781	36.0
281.08350	2.6
282.09018	3.6
283.09888	4.9
284.10617	5.7
294.05316	1.5
297.11472	7.0
298.12192	2.2
299.09515	2.4
299.12943	11.4
309.07755	1.7
310.08182	1.5
325.10907	4.3
327.10257	1.4
343.11926	3.5
369.19058	1.8
387.20383	5.0
433.15369	1.9
549.16272	100.0
549.25439	14.8
550.16595	6.9
550.24304	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04779	0.4
55.01889	1.5
57.03452	1.7
58.00608	1.4
58.40998	0.4
59.01385	100.0
60.01733	0.7
61.98873	0.5
69.06860	2.8
71.01389	55.7
71.05061	0.4
72.99319	1.8
73.02955	5.3
83.01398	3.3
85.02959	12.6
87.00890	4.7
89.02454	61.0
90.02892	0.5
93.03460	0.8
95.01398	3.6
96.96034	0.5
99.00895	1.7
101.02454	35.9
113.02462	22.3
113.03268	1.0
119.03514	30.0
119.05014	3.4
121.03010	0.5
125.02434	0.8
129.01996	0.5
131.03514	3.3
134.03780	2.7
137.09735	1.5
143.03513	6.0
147.04616	0.5
148.05325	0.6
149.02423	1.1
149.04539	3.1
149.05956	0.7
159.03023	1.3
161.04585	9.6
163.04042	2.9
164.04811	1.0
177.05540	1.3
179.05623	13.2
179.07167	1.1
189.12819	1.1
193.04955	1.4
207.06689	0.5
208.03735	0.6
211.30931	0.5
223.06071	1.1
225.14917	0.7
241.05066	2.3
255.06636	1.0
256.07465	2.5
267.06744	0.7
268.07321	0.6
269.08179	0.7
271.09836	4.1
281.08051	0.7
282.08948	0.7
283.09735	1.1
297.11499	1.2
299.09418	0.6
299.12726	1.4
325.10736	0.5
369.19070	1.2
387.12851	1.0
387.20224	7.1
494.95648	0.5
549.15741	16.7
549.25092	35.1
550.16211	1.3
550.25586	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	549.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97377	1.1
55.01872	2.0
55.90863	1.2
55.99241	1.3
57.03443	2.1
59.01386	56.0
59.18817	1.3
61.98832	3.6
71.01387	22.2
71.05036	1.6
72.99313	4.7
73.02959	9.4
82.95371	1.7
83.01405	4.6
83.05042	3.5
85.02972	10.7
86.23581	1.3
87.00928	2.9
89.02456	12.0
93.03471	1.6
99.00883	3.7
101.02464	17.7
111.00893	1.8
111.04507	2.7
113.02463	7.5
116.92918	1.3
119.03510	2.7
125.02497	1.9
131.03487	2.2
149.04558	3.7
161.04610	3.4
173.08182	2.1
179.05641	1.6
237.18610	2.3
253.09370	1.7
271.02487	2.3
272.02945	1.9
273.03159	1.8
293.08835	1.8
300.02768	4.6
301.03259	2.6
301.20300	2.9
302.03107	2.7
333.90976	1.3
351.21729	2.3
387.24033	1.5
399.55502	1.7
408.50641	1.3
417.24719	2.7
445.24631	2.4
463.25482	13.4
478.53598	1.3
505.26566	100.0
506.27039	6.0
549.11847	4.0
549.28857	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	550.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01388	7.2
59.18404	0.6
61.98836	38.2
62.54356	0.6
69.03464	9.2
71.01395	2.3
72.99316	0.7
73.02954	0.9
79.01881	3.0
81.03493	1.7
83.01434	0.7
85.02994	1.5
89.02465	2.5
97.02969	5.5
99.04513	0.8
101.02473	1.7
107.01398	8.2
108.02193	8.1
109.02961	19.1
113.02522	1.2
121.02969	0.9
123.04509	0.9
125.02471	9.8
131.03593	0.7
133.01712	11.2
134.02502	6.8
135.00906	20.8
136.04042	3.6
137.04738	0.9
137.81261	0.6
148.00444	5.6
149.04626	1.2
151.04002	0.9
152.03593	1.5
160.44208	0.7
163.04106	0.8
165.00711	2.3
167.06395	1.3
169.06076	4.8
180.03044	16.4
183.03386	0.6
184.04031	0.7
194.04745	0.7
195.05383	20.3
196.06151	0.6
200.03569	2.1
210.07764	2.7
211.02748	3.3
211.05112	1.0
212.03482	1.3
213.04968	1.9
226.05132	0.9
227.02148	0.8
228.02945	4.8
239.02316	1.6
240.03026	3.4
252.30783	0.8
254.04518	3.4
255.01672	4.0
255.05478	1.0
256.02441	1.0
257.03284	1.5
266.64468	0.7
270.04156	2.7
272.05600	1.5
283.01233	14.0
284.02008	2.8
287.04663	0.9
287.07922	1.2
298.03601	28.4
299.04388	10.7
312.08633	1.3
313.05945	27.8
314.06729	27.7
315.03925	5.7
315.07159	1.1
316.04468	0.8
330.06180	14.1
331.06973	3.4
341.34509	0.7
345.08563	37.5
346.09332	100.0
347.09650	4.4
443.05441	0.7
458.10806	1.3
490.13293	0.8
508.14386	0.9
518.13141	15.3
519.13684	1.1
550.15710	34.4
551.15753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54090	0.3
52.97948	0.2
56.21270	0.2
57.03436	0.4
58.19339	0.3
59.01389	6.3
60.01738	0.3
61.98837	100.0
64.96980	0.3
71.01395	1.8
73.02955	0.7
83.01376	0.3
85.02975	1.0
87.00898	0.7
88.00390	0.2
88.98824	1.5
89.02454	1.8
98.02449	0.2
99.04585	0.3
101.02457	1.1
104.45578	0.2
113.02509	0.3
114.05651	0.3
121.02967	0.3
125.02473	0.5
126.99601	0.4
128.99327	0.6
131.03523	0.5
149.04623	0.8
160.01772	0.4
161.04651	0.4
167.06345	1.4
169.06038	3.3
191.05582	0.4
211.05476	0.8
213.05092	2.4
228.99794	0.3
335.20291	0.3
343.94376	0.3
345.30368	0.4
353.06631	0.3
403.06418	0.3
490.34897	0.6
507.35117	0.4
550.29755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54090	0.3
52.97948	0.2
56.21270	0.2
57.03436	0.4
58.19339	0.3
59.01389	6.3
60.01738	0.3
61.98837	100.0
64.96980	0.3
71.01395	1.8
73.02955	0.7
83.01376	0.3
85.02975	1.0
87.00898	0.7
88.00390	0.2
88.98824	1.5
89.02454	1.8
98.02449	0.2
99.04585	0.3
101.02457	1.1
104.45578	0.2
113.02509	0.3
114.05651	0.3
121.02967	0.3
125.02473	0.5
126.99601	0.4
128.99327	0.6
131.03523	0.5
149.04623	0.8
160.01772	0.4
161.04651	0.4
167.06345	1.4
169.06038	3.3
191.05582	0.4
211.05476	0.8
213.05092	2.4
228.99794	0.3
335.20291	0.3
343.94376	0.3
345.30368	0.4
353.06631	0.3
403.06418	0.3
490.34897	0.6
507.35117	0.4
550.29755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
69.89900	2.8
80.66045	0.8
96.60757	1.0
98.21941	1.0
110.53984	1.0
123.23647	0.9
125.79954	0.9
143.16637	0.9
216.11656	1.0
338.88467	1.2
376.93411	1.0
408.93832	0.9
519.53766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53400	23.8
51.56139	25.7
51.91508	29.1
54.03407	23.3
57.14054	27.1
59.01377	55.7
60.95782	23.6
61.98832	100.0
70.06536	26.2
75.81457	29.9
85.51658	24.7
94.63867	23.3
98.22662	72.0
118.83347	24.4
154.25764	25.1
197.48947	27.1
220.61356	25.6
362.79987	27.7
422.95749	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	86.4
61.98820	100.0
66.47247	36.0
72.41761	38.0
77.75051	33.8
96.96091	35.1
148.07190	32.6
155.05888	34.7
221.97508	36.6
327.06808	41.6
383.45160	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03452	80.2
59.01383	100.0
59.99613	1.2
60.01720	1.4
61.98836	11.8
65.34103	1.0
67.76535	0.9
71.01390	26.5
73.02945	7.7
83.01378	4.2
85.02951	10.8
87.00883	1.5
89.02457	14.0
95.01376	2.1
99.00867	2.6
99.04528	71.1
101.02449	28.6
111.00825	1.2
111.62374	1.1
113.02448	11.7
115.06075	1.0
116.92794	1.2
119.03487	3.9
121.03111	1.1
125.02469	20.6
136.01593	1.7
137.02039	1.1
143.03477	4.1
149.02441	1.2
151.04025	3.6
152.82008	1.2
161.02563	1.4
161.04572	6.5
166.02657	1.2
181.05133	1.7
184.52007	1.2
199.07632	1.9
229.08763	1.4
252.72989	1.1
293.21326	1.5
387.14297	1.7
388.14838	6.0
388.27243	5.5
406.22476	1.3
406.28165	25.7
443.39941	1.1
448.28848	2.2
491.28540	3.1
503.24979	6.3
504.25201	4.5
550.31055	10.1
551.30811	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95338	0.8
55.01869	2.1
57.03453	100.0
58.03794	0.9
59.01385	89.1
61.98837	4.9
71.01387	17.0
73.02959	4.8
75.00900	1.8
81.03458	1.8
83.01409	4.6
85.02950	9.7
88.04067	2.1
89.02460	4.3
95.01412	1.1
99.00900	1.7
99.04528	80.7
101.02452	32.0
108.01292	0.8
111.00903	1.9
113.02454	8.4
121.02964	1.8
125.02464	28.4
129.38211	0.9
143.03543	2.9
152.92189	0.8
159.02997	1.5
161.04578	3.0
175.45599	0.8
180.85747	0.8
181.68594	0.9
185.17714	0.9
187.05090	0.8
190.62183	0.8
209.06836	1.5
224.09222	1.1
270.02356	3.8
302.04907	2.5
388.27237	8.4
406.28143	40.1
407.28796	2.1
448.29214	2.8
550.19391	1.9
550.31927	8.6
551.31128	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	551.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64391	0.7
59.01383	2.3
60.45737	0.7
62.57053	0.8
64.02835	0.7
66.92956	0.6
69.99776	2.0
71.01405	1.6
72.80220	0.7
72.99325	1.0
73.02943	0.9
83.01411	0.7
85.02963	2.2
89.02475	0.7
89.19958	0.6
101.02461	1.7
108.02184	54.1
109.02975	10.3
113.02446	1.2
113.07750	0.8
121.02972	24.1
127.78399	0.7
131.57703	0.7
135.04529	1.1
152.01169	100.0
153.01839	3.1
163.04056	3.5
166.66148	0.7
177.01918	1.2
179.03578	1.4
214.54979	0.7
255.25974	0.9
297.06305	1.2
315.07083	2.0
429.04584	1.8
429.10391	37.6
430.10602	1.9
439.21921	0.9
503.07864	0.7
521.20569	2.1
533.20270	2.0
551.14093	76.8
552.14276	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03447	0.7
59.01387	8.9
69.15305	3.5
70.62743	0.5
71.01388	10.4
72.99315	1.6
73.02946	4.1
75.00887	0.6
75.34886	0.5
83.01392	1.6
83.03142	0.5
83.22040	0.5
85.02953	4.9
87.00875	1.1
89.02461	3.6
92.73376	0.5
97.02986	0.9
99.00900	2.4
101.02460	9.6
108.02185	52.6
109.02979	14.8
113.02460	5.1
119.03533	0.9
121.02971	23.8
125.02444	1.1
135.04543	0.9
143.03506	0.7
149.04610	0.6
151.04065	0.5
152.01167	100.0
153.01953	5.0
158.68977	0.5
161.04588	2.2
163.04021	4.3
175.04199	0.5
177.01927	0.8
179.03529	0.7
207.03012	0.8
214.74606	0.6
222.72969	0.6
251.10176	0.6
297.06161	1.3
315.07172	2.0
318.63257	0.7
373.22382	5.6
429.10385	41.0
430.10733	1.7
449.56815	0.7
470.14059	0.5
505.26593	37.6
506.26907	1.5
520.31787	0.6
551.14111	99.2
551.30743	4.0
552.14392	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	551.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03442	2.4
59.01382	30.2
61.98832	1.4
69.47239	2.5
71.01386	10.1
73.02946	3.3
75.00863	1.7
76.02149	0.5
83.01382	1.6
85.02954	4.6
87.00848	0.6
89.02451	8.0
95.01392	0.6
99.00871	1.2
99.04520	1.2
101.02448	11.3
105.69760	0.6
109.02939	0.9
113.02467	3.2
119.03501	1.7
121.02965	100.0
122.03297	1.6
123.87688	0.6
125.02451	1.1
131.03555	1.6
132.42398	0.6
149.04562	2.6
150.04927	0.6
160.47688	0.6
161.04579	1.3
187.09752	5.7
201.11327	1.9
207.06676	1.9
271.16104	0.9
285.03754	0.6
293.21356	1.1
343.08087	5.4
359.20859	0.8
363.20258	0.9
469.83084	0.6
473.27466	0.7
491.24121	3.0
504.25217	1.0
533.29688	1.7
550.29266	0.9
551.15106	2.4
551.30859	43.8
552.31281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	4.3
57.03453	86.1
58.03790	3.6
59.01383	100.0
61.98827	4.4
69.15695	13.3
70.82607	1.8
71.01385	29.7
72.99291	2.5
73.02965	10.8
75.00880	66.4
76.61584	1.9
81.03462	2.8
83.01405	5.8
83.41155	1.8
85.02957	12.5
87.00884	2.3
87.04523	3.5
88.04048	4.7
89.02449	10.4
95.01421	2.8
99.04530	65.1
100.04859	4.4
101.02447	36.8
111.00890	5.4
113.02467	7.3
115.00344	2.0
119.03519	4.9
121.02963	25.7
125.02454	22.7
133.02951	3.6
135.00903	2.0
137.44899	1.9
143.03464	2.6
153.01961	2.9
155.53223	2.0
161.02454	7.0
161.04573	5.9
163.06177	9.0
198.27399	2.1
201.11404	2.5
205.07199	3.4
222.17883	2.2
270.02417	2.2
271.02539	2.7
388.27335	4.5
389.27286	2.5
406.28168	20.3
407.28516	12.2
491.24918	3.1
533.29840	3.1
551.14935	10.1
551.30939	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58775	0.8
57.03431	1.3
59.01386	22.4
61.98828	2.3
62.42590	0.7
69.65143	1.7
69.65507	1.7
71.01089	0.9
71.01389	10.6
72.99317	0.8
73.02946	3.7
73.03557	0.7
74.99085	1.2
75.00865	0.9
83.01370	1.1
83.76638	0.7
84.39443	0.7
85.02953	4.4
87.00880	10.5
88.98775	1.4
89.02446	7.3
90.75919	0.8
93.03461	2.5
94.35088	0.7
96.04556	1.4
99.00872	1.6
101.02455	9.8
104.05074	1.8
107.00137	1.4
111.00844	0.7
113.02445	4.2
114.30340	0.8
119.03468	1.7
119.05029	1.5
123.04526	0.8
125.02441	0.9
131.03519	1.0
132.04584	8.4
133.05328	5.3
134.03757	7.6
134.06133	1.3
137.02429	3.6
146.06120	1.0
148.04044	2.7
149.06071	2.0
150.05589	3.2
156.48407	0.8
159.02979	0.9
159.05629	0.8
160.04048	5.0
160.07675	1.9
161.04510	4.4
162.03186	3.4
163.03964	2.0
165.04289	1.1
171.06871	1.6
177.05531	1.8
177.99045	0.8
178.02693	3.5
179.05614	1.0
186.09253	20.3
187.05101	2.6
187.08740	12.3
188.99344	1.1
191.05557	1.1
193.05090	9.8
198.09230	3.3
199.05113	0.9
201.10190	0.9
213.06654	3.4
214.07408	1.2
226.07530	6.2
227.08211	2.4
229.09818	40.3
230.10231	1.3
238.08638	2.0
240.10231	3.4
241.09845	28.0
242.10092	1.1
254.06917	1.8
255.11415	5.4
257.12866	1.9
265.09845	1.8
268.08704	1.9
268.56918	0.8
283.10907	35.2
295.10809	1.3
301.11676	1.6
327.09814	4.6
351.21701	4.3
353.10321	1.0
357.13394	1.0
388.05695	1.1
389.21729	1.2
475.17224	1.4
491.21201	0.8
507.19571	2.4
519.15979	4.1
551.18719	100.0
551.30707	3.2
552.19318	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	100.0
59.01386	14.7
61.98840	8.6
71.01394	7.3
71.40273	0.9
73.02950	2.2
75.00893	0.9
81.03476	1.1
85.02959	2.4
87.04518	1.6
89.02451	4.8
93.03481	1.2
96.04654	0.7
99.04527	12.0
101.02457	27.8
111.00900	1.3
113.02451	2.2
121.02988	2.5
122.03738	5.1
125.02452	1.9
133.02930	0.9
149.02452	7.7
149.04556	1.3
150.03239	41.8
151.03735	0.9
154.01498	1.0
161.04552	3.2
163.04005	1.9
164.04807	2.5
164.26131	0.9
165.05580	58.2
166.05931	1.3
179.07179	1.0
180.04282	2.1
181.05029	1.1
191.05605	1.0
195.06638	54.8
215.03072	0.8
223.06099	3.2
238.08530	1.4
253.10773	2.7
293.13989	2.2
300.37885	0.9
336.20599	0.8
343.13379	0.8
359.15094	1.8
407.17078	1.5
419.26541	1.2
441.19077	1.3
491.19214	1.2
506.96127	0.8
551.20575	2.9
551.30981	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	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29252	1.6
55.01886	1.9
57.03448	4.6
59.01384	77.3
61.98839	5.8
69.43621	2.5
69.43961	6.9
71.01392	31.0
72.99339	2.4
73.02938	8.6
75.00892	2.0
78.04744	1.6
83.01414	7.3
84.42845	1.6
85.02959	11.6
87.00915	5.9
89.02448	21.7
95.01427	5.2
97.02969	1.9
99.00893	3.3
101.02450	28.6
105.35970	1.9
108.02185	31.2
109.02990	6.8
111.00932	2.7
113.02456	14.4
116.92911	2.5
119.03535	6.5
121.02970	15.8
123.08221	1.9
125.02457	3.5
135.60521	1.8
143.03491	3.2
152.01178	66.2
153.01888	2.6
160.01637	2.7
161.04634	5.4
163.04054	2.2
167.10843	2.3
179.05783	2.1
211.07758	1.9
245.14085	3.0
298.08447	2.7
299.09381	3.5
311.09329	8.0
312.09964	3.0
313.10745	3.5
314.08118	2.2
325.11090	2.5
329.10373	3.3
341.10394	6.1
344.12735	4.3
345.13541	2.0
356.12558	4.0
357.13522	4.0
359.15234	4.6
371.15353	5.3
385.13513	1.5
389.21912	3.0
429.10474	21.3
460.14059	1.9
491.15912	8.1
491.29120	3.3
503.15732	16.3
506.17911	11.1
518.17755	10.4
521.20343	83.2
522.20953	5.7
533.20313	100.0
533.28076	3.9
534.20825	4.2
551.14105	49.6
551.30969	79.2
552.14899	3.7
552.30933	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	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72494	0.5
54.83186	0.5
57.03447	1.0
59.01385	8.9
61.98837	1.0
66.89314	0.5
71.01382	5.2
73.02956	1.8
81.49881	0.7
83.01406	0.7
85.02969	1.5
87.00871	0.9
89.02462	3.5
101.02458	3.1
108.02201	3.0
109.02953	1.5
113.02469	1.9
119.03479	0.7
121.02976	3.7
136.01631	0.7
136.05270	1.5
145.02966	2.0
147.04437	2.7
149.04614	0.6
151.04004	1.0
152.01186	5.6
157.74290	0.6
158.03766	0.7
160.01657	1.0
161.04622	1.3
161.06134	0.7
163.04047	5.1
174.03214	3.0
175.04024	15.2
176.04811	3.1
177.05661	1.2
180.04269	2.4
188.04779	2.3
189.05586	6.4
190.04684	1.2
190.06389	21.1
191.03548	0.7
191.05449	0.8
191.07137	13.4
193.05064	5.0
194.05875	1.8
203.07205	1.6
205.08707	16.9
205.10645	1.0
207.06607	3.6
208.07420	25.5
222.06992	0.9
222.08977	6.9
223.09735	1.2
286.47787	0.6
327.12418	2.9
344.12616	2.5
359.15021	100.0
360.15369	5.4
389.16284	3.0
429.10599	1.6
519.18549	0.8
551.13879	4.1
551.21423	1.8
551.30835	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	551.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	6.5
59.01395	35.1
61.98827	18.4
67.01054	3.7
69.75056	15.5
71.01397	7.0
71.58797	3.8
80.94432	3.7
85.20268	4.7
89.02460	10.2
97.02939	7.1
97.06607	5.5
101.02463	13.7
113.02452	5.4
132.82863	4.1
136.70586	4.2
139.25073	4.2
139.59424	4.5
161.04637	6.2
181.12291	4.9
207.65501	4.2
209.08214	8.9
217.15956	24.9
225.37997	4.2
253.09259	47.0
261.15012	60.4
269.86938	4.4
279.16025	100.0
379.12708	5.0
551.11615	5.8
551.22577	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	551.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.6
57.03461	4.1
59.01385	54.6
61.98838	1.4
69.03445	0.8
71.01388	51.4
72.99312	2.2
73.02954	15.4
75.00885	1.0
83.01405	7.1
85.02962	21.2
87.00889	3.2
87.39149	0.7
89.02454	25.2
95.01389	3.4
96.96011	0.7
97.02975	1.7
99.00887	5.2
101.02456	36.3
102.02769	0.7
103.04002	1.1
111.00903	2.3
113.02472	16.8
117.97307	1.1
119.03512	10.5
119.91312	0.7
121.03008	0.9
125.02459	2.3
131.03497	1.9
132.04581	1.4
143.03520	1.5
145.05078	0.9
147.11781	0.8
149.02469	1.4
149.04599	1.4
149.09717	1.7
158.10172	0.7
159.03012	2.9
161.04584	7.8
163.06168	2.3
167.10832	1.4
179.05640	2.7
193.05098	2.0
224.75151	0.6
283.10904	2.1
295.10846	0.8
359.11215	1.3
389.16483	2.6
389.21783	19.1
390.22244	1.2
507.10190	0.8
508.66418	0.8
519.16473	2.4
551.27258	100.0
552.27435	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	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.68407	0.3
57.03450	8.7
58.00597	1.3
59.01384	100.0
60.01718	0.5
66.96937	0.3
69.03455	2.7
69.08750	1.0
69.09157	1.9
71.01387	31.1
71.05024	0.5
72.99309	2.6
73.02953	47.6
81.03458	0.8
83.01407	3.4
83.05019	1.2
85.02959	16.9
86.00100	2.2
87.00884	12.6
87.04525	5.7
88.01212	0.6
88.04051	0.9
89.02451	29.5
93.03479	0.5
95.01391	0.6
96.95981	0.6
97.02967	2.2
99.00903	0.7
99.04528	1.1
101.02451	58.0
102.02782	0.4
103.04021	27.1
109.02933	0.4
109.06602	0.5
112.05324	2.1
113.02479	3.5
114.24046	0.5
115.00339	0.4
115.04020	14.6
116.04340	0.4
119.02668	0.8
119.03515	13.7
120.05816	1.1
125.02450	6.5
127.04020	2.5
131.03513	13.3
131.08633	0.7
133.05142	0.4
134.07375	4.0
135.04532	0.7
135.08176	2.6
137.09737	2.1
139.07661	3.3
139.11314	0.5
143.03517	13.9
145.05080	8.7
147.08186	0.4
149.09734	34.4
150.03189	0.7
150.10057	0.7
153.09218	14.0
160.01675	0.8
161.04568	1.4
163.06136	74.2
164.06424	1.2
165.05540	1.6
167.10785	58.4
168.11081	2.0
175.04037	0.9
179.05661	0.9
189.13025	0.4
191.05573	0.4
205.07178	32.5
206.07570	0.8
207.13885	1.7
209.11830	1.2
225.14941	4.0
233.10315	0.6
243.15982	3.3
247.08220	1.4
265.09302	5.1
307.10339	1.8
324.81265	0.4
337.09470	1.9
379.16162	0.5
389.22424	0.5
405.21368	1.4
519.16180	0.6
551.19342	0.8
551.27191	13.9
552.27435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19455	45.6
100.33692	43.2
103.40179	44.0
122.60722	43.0
150.51031	44.5
241.21729	100.0
279.23645	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	551.308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16931	0.5
55.01883	1.5
57.03451	7.5
58.03780	0.7
58.47439	0.5
59.01387	67.0
60.01716	1.0
60.03669	0.5
61.98847	2.3
69.23982	2.7
71.01391	16.5
72.99344	0.7
73.02953	4.8
75.00900	1.5
76.13376	0.5
83.01410	1.9
85.02961	6.6
87.00893	2.0
87.04539	0.6
89.02454	15.0
95.01419	1.0
97.06587	0.8
99.00905	1.5
99.04539	4.7
100.04883	1.0
101.02458	15.1
101.03103	0.8
108.02183	0.9
111.00933	0.9
113.02468	7.7
119.03530	5.1
121.02999	0.5
123.08199	0.9
125.02464	1.9
131.03526	0.9
140.95206	0.5
143.03508	1.0
149.04626	0.9
149.06085	0.5
151.04005	1.0
152.01212	2.0
159.06607	0.7
161.04614	2.4
171.07988	0.5
177.12915	1.0
179.05676	1.2
187.13486	0.9
199.07724	2.8
223.08337	0.5
227.03571	1.4
237.87727	0.6
275.20102	0.6
277.13000	0.6
293.21350	2.7
311.22372	2.0
329.23297	2.2
341.10483	3.0
354.13760	0.5
356.12732	1.0
371.15076	3.7
371.24680	0.6
407.28345	0.9
455.26715	0.7
473.27551	1.2
491.22226	0.6
491.28867	4.0
504.25470	0.6
533.19934	0.6
533.29535	1.4
551.30817	100.0
552.31000	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3081
Annotation	Lanceolitol B2
Peak:m/z	Relative Intensity
55.01871	0.6
57.03454	7.3
58.03777	1.0
59.01387	58.7
61.98813	1.9
69.03467	0.7
71.01389	15.7
73.02939	3.5
74.00507	0.6
75.00905	0.7
76.14027	0.6
80.78134	0.5
83.01394	1.8
85.02959	6.5
86.02489	0.5
87.00898	1.6
87.04505	1.2
88.66584	0.5
89.02448	10.8
95.01405	1.7
97.06570	0.7
98.21780	1.4
99.00881	1.4
99.04527	6.1
100.04865	1.5
101.02460	11.9
102.35950	0.7
108.02206	0.7
111.00890	1.2
113.02464	6.5
119.03514	3.4
122.19485	0.6
125.02428	2.5
126.02776	0.7
131.03468	0.8
149.04448	0.6
152.01176	1.7
161.04597	2.1
166.17006	0.6
175.88199	0.6
179.05627	1.2
199.07654	2.3
227.03575	1.0
228.22345	0.6
253.35034	0.6
270.38257	0.6
293.21207	2.1
310.01993	0.6
311.22305	1.3
329.23401	1.5
341.10257	1.7
371.15042	2.0
371.24847	0.7
389.27151	0.7
401.94797	0.6
406.28067	0.8
407.28461	2.2
429.10156	1.1
455.26340	0.8
473.28070	0.6
491.29019	3.0
504.25693	0.9
533.29932	0.7
551.30817	100.0
552.31201	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	552.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
61.98833	100.0
69.68764	1.8
72.91252	0.5
73.22801	0.5
75.00864	0.9
75.49508	0.5
98.21867	0.5
150.06450	0.5
186.76997	0.6
221.67461	0.5
227.03540	5.8
227.05460	0.8
255.02968	10.1
256.03632	0.6
283.02542	1.3
284.03281	11.6
285.04053	6.5
429.08359	1.3
474.97101	0.5
489.10406	16.7
490.10715	0.6
552.14551	0.7
552.31006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90876	0.9
52.66952	0.8
57.03460	1.4
59.01384	12.1
61.98832	9.6
67.04224	0.8
70.42908	0.8
71.01400	6.3
72.71156	0.9
73.02957	2.8
75.00909	1.1
85.02958	2.2
87.00896	1.0
87.04486	3.9
89.02459	2.7
93.03459	8.0
95.01406	2.6
95.04999	1.2
98.22694	1.6
99.04515	1.2
101.02464	4.3
103.01499	0.8
108.02224	1.0
109.02960	9.2
110.02470	1.2
113.02447	1.8
117.03463	1.3
119.03463	1.2
121.02969	35.3
123.04541	1.2
131.01375	4.0
133.02963	2.5
135.04549	1.5
137.02478	1.0
139.04041	6.6
145.02965	3.0
147.00874	1.0
148.01613	1.2
149.02457	40.3
150.03284	5.9
151.03960	1.3
160.01695	1.1
161.02470	9.4
162.03276	1.6
163.04008	5.4
165.01956	1.2
165.05602	1.2
167.05003	1.5
169.06618	3.0
171.04588	1.7
175.00352	3.1
177.01956	2.1
179.03619	1.0
180.03009	1.5
180.05780	4.5
181.06543	4.7
182.03757	3.2
183.04553	4.5
195.04463	1.2
195.05359	1.1
196.05302	3.8
197.06085	14.3
199.04201	1.2
205.01448	1.3
207.04579	4.6
208.05302	5.0
209.06116	8.1
210.03246	3.5
211.04012	3.6
213.05582	1.0
223.04005	3.9
224.04799	6.8
225.05565	28.5
227.03482	2.0
229.05052	1.8
235.04010	8.7
236.04724	5.7
240.04321	1.1
241.05035	2.6
243.06628	4.7
251.03491	4.5
252.04327	7.2
253.05074	100.0
254.05405	2.4
255.03006	0.9
256.03845	5.0
268.02530	4.5
269.04593	13.0
271.06146	20.8
279.02963	4.4
280.03665	2.4
282.04156	1.5
295.56332	1.0
296.01993	21.9
297.04062	87.3
298.04422	3.3
310.03702	2.0
311.04330	16.3
312.04956	2.2
315.05115	34.9
316.05457	1.0
322.07175	1.7
326.06702	23.1
331.98999	0.8
341.03021	10.4
354.06183	1.6
356.07922	5.2
358.09308	3.8
386.08798	3.8
432.10800	3.4
458.08841	1.7
476.09879	7.1
490.11273	2.0
508.12558	14.1
534.10455	1.4
551.31030	2.6
552.11475	23.4
552.31085	1.2
553.12378	1.2
553.23834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
59.01387	7.2
61.98835	21.4
64.17850	0.4
71.01386	3.9
72.99321	0.5
73.02937	0.8
81.03427	0.4
83.01420	0.6
83.40713	0.4
85.02956	2.2
87.00887	0.5
89.02447	3.4
93.03489	1.0
95.01389	0.6
95.05061	0.6
97.02956	0.5
99.00874	0.6
101.02441	2.8
108.02179	4.3
109.03016	0.5
111.00808	0.5
113.02428	1.2
116.92934	0.5
119.03533	0.9
120.02185	15.1
121.03032	2.1
122.03349	0.5
123.00839	0.6
123.04527	0.6
125.02413	2.4
128.03580	0.7
131.03479	0.4
135.00769	0.5
135.04564	0.7
136.01683	2.0
137.02458	1.4
139.04007	0.8
149.02451	1.6
151.00394	1.3
161.04581	0.8
163.00380	4.5
164.01164	26.5
165.01767	1.6
167.03499	4.0
177.01918	1.9
179.03499	1.1
191.05687	0.5
192.00661	100.0
193.01404	10.0
193.05043	0.5
205.01471	5.4
223.02509	1.4
235.02609	0.8
355.06729	56.3
356.07025	2.2
361.12885	0.5
363.32632	0.5
389.07510	2.0
390.08459	1.2
493.17218	1.7
551.31494	0.8
552.13654	71.0
553.14130	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12684	4.4
57.03451	9.5
58.43178	4.3
59.01383	100.0
59.17311	5.0
59.96999	4.1
61.98826	27.3
71.01385	35.3
73.02962	14.2
75.00886	7.3
83.01421	4.5
85.02961	16.3
89.02460	18.4
95.01409	5.1
98.22672	16.2
99.04503	7.0
101.02449	27.5
102.02825	5.2
103.04028	11.7
111.42867	4.4
113.02458	16.7
124.31250	4.4
148.99890	5.5
152.01175	9.7
153.22551	4.4
154.66592	4.6
161.04683	5.7
170.99405	4.8
174.18425	4.3
245.14223	4.6
324.08749	15.5
339.11176	21.2
340.11957	6.3
354.13458	53.9
396.59888	5.3
430.10657	6.4
459.28171	6.4
551.30890	53.1
552.15131	8.7
552.31213	92.8
553.31885	11.3
553.65759	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	552.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01388	28.4
61.98838	34.7
65.38110	1.6
69.19734	10.0
71.01385	21.4
73.02969	8.2
83.01392	3.9
85.02958	8.1
87.04523	100.0
89.01580	2.3
89.02460	16.1
97.02959	4.0
99.00900	1.9
101.02454	12.3
107.80165	1.8
111.00907	4.0
113.02467	6.1
119.03510	2.1
125.02460	3.2
131.03528	6.9
149.04520	6.7
161.04556	2.8
171.42500	1.6
206.71588	1.9
233.06410	2.0
261.95535	1.7
289.16690	1.8
377.21799	6.6
421.20853	10.4
509.26013	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	552.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82821	1.6
61.98817	1.9
78.95909	6.5
98.22675	4.1
106.62029	1.4
109.71189	1.3
142.48190	1.1
164.72775	1.3
168.04379	1.7
177.55460	1.5
177.78897	1.3
186.41304	1.5
214.24628	1.4
242.08069	4.1
277.21741	100.0
278.22028	4.2
296.41501	1.4
502.29422	31.5
502.36691	1.7
503.30048	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.0
61.98836	100.0
63.85531	8.3
70.28751	18.2
78.95915	19.4
115.50468	7.4
119.28761	7.8
134.03732	7.5
134.67322	9.2
147.57521	8.2
150.76271	8.2
152.99594	20.2
160.61572	8.0
184.81050	8.6
209.11766	12.7
251.40524	8.0
550.45264	10.4
552.22925	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34335	0.5
51.45545	0.4
55.80893	0.5
59.11317	0.5
67.01878	3.4
68.00529	0.5
69.52311	2.0
85.02959	2.9
111.00887	96.3
112.01212	1.6
129.01974	1.5
136.98822	1.7
148.96500	1.3
157.88686	0.5
166.97531	61.8
167.97878	0.8
184.97726	2.0
192.95461	5.6
210.96515	100.0
211.96858	1.6
226.98709	0.9
228.96736	2.3
270.97638	3.4
282.97873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.7
57.03437	6.7
58.33271	2.3
58.64706	2.2
59.01385	58.0
60.01726	2.4
61.98838	32.0
67.20087	2.4
71.01389	59.1
72.99311	4.0
73.02963	27.1
75.00876	3.6
78.95930	4.9
83.01375	11.7
85.02956	28.7
87.00879	7.0
88.06812	2.2
89.02457	21.0
93.03497	4.4
95.01410	5.7
97.02945	4.8
99.00858	12.7
99.04533	4.9
101.02464	48.5
105.01945	5.0
109.02936	2.9
110.02401	2.4
113.02459	23.4
115.04031	4.8
119.03593	2.9
119.05021	4.2
121.03002	12.1
125.02449	8.0
132.02205	2.8
134.03754	4.3
135.04503	5.3
138.98175	2.6
143.03462	3.2
145.02910	3.2
149.02460	11.0
149.04491	3.6
150.03215	7.5
151.04073	3.7
152.99570	3.7
159.03012	2.9
160.01741	2.9
161.04568	22.4
165.05608	5.5
175.04115	3.5
187.07561	2.8
195.06694	2.9
209.11790	4.1
226.05974	3.5
227.03592	3.5
229.14513	4.7
233.06731	4.2
253.04950	8.8
254.05467	10.4
293.08655	7.4
297.04251	3.9
298.04407	11.6
307.19073	5.9
315.05289	5.1
316.05643	3.5
325.20053	3.8
349.20209	9.6
361.12903	31.9
493.17249	100.0
493.25116	4.7
494.17319	5.4
505.18549	9.4
509.13455	5.0
553.10858	3.6
553.23969	9.4
553.32483	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	553.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
57.03448	8.0
59.01387	100.0
60.01708	4.0
61.98838	19.7
66.79829	2.1
67.72584	2.7
69.47195	8.7
71.01389	47.0
72.99300	5.2
73.02950	27.6
75.00878	5.6
83.01388	7.3
83.36949	2.3
85.02958	15.8
87.00874	5.2
88.98794	8.5
89.02448	68.6
90.02788	2.6
95.01395	3.3
99.00915	15.9
99.04523	6.3
101.02450	54.5
103.03999	7.1
108.02200	9.3
109.02966	4.5
111.00887	4.7
113.02448	15.1
119.03503	8.8
121.02959	4.4
125.02467	4.9
131.03535	13.7
134.03760	2.5
142.16821	2.6
143.03516	4.5
149.04572	65.3
152.01105	14.5
153.01570	4.0
154.01733	3.6
161.04575	7.3
175.04028	3.0
177.01936	3.2
177.71066	2.9
187.01770	3.9
187.44722	2.5
191.05611	12.9
221.06656	10.0
232.76605	2.4
251.07718	9.8
259.19070	2.8
277.76553	2.7
293.08749	6.0
311.09741	9.4
343.77383	2.8
357.04660	6.0
421.24371	6.7
431.11032	4.6
462.08612	2.6
506.26794	10.1
507.27487	5.1
535.17017	2.8
552.31329	6.3
553.13062	16.1
553.21033	29.0
553.32007	86.2
554.32782	3.7
554.59375	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	553.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
57.03448	8.0
59.01387	100.0
60.01708	4.0
61.98838	19.7
66.79829	2.1
67.72584	2.7
69.47195	8.7
71.01389	47.0
72.99300	5.2
73.02950	27.6
75.00878	5.6
83.01388	7.3
83.36949	2.3
85.02958	15.8
87.00874	5.2
88.98794	8.5
89.02448	68.6
90.02788	2.6
95.01395	3.3
99.00915	15.9
99.04523	6.3
101.02450	54.5
103.03999	7.1
108.02200	9.3
109.02966	4.5
111.00887	4.7
113.02448	15.1
119.03503	8.8
121.02959	4.4
125.02467	4.9
131.03535	13.7
134.03760	2.5
142.16821	2.6
143.03516	4.5
149.04572	65.3
152.01105	14.5
153.01570	4.0
154.01733	3.6
161.04575	7.3
175.04028	3.0
177.01936	3.2
177.71066	2.9
187.01770	3.9
187.44722	2.5
191.05611	12.9
221.06656	10.0
232.76605	2.4
251.07718	9.8
259.19070	2.8
277.76553	2.7
293.08749	6.0
311.09741	9.4
343.77383	2.8
357.04660	6.0
421.24371	6.7
431.11032	4.6
462.08612	2.6
506.26794	10.1
507.27487	5.1
535.17017	2.8
552.31329	6.3
553.13062	16.1
553.21033	29.0
553.32007	86.2
554.32782	3.7
554.59375	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	553.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.4
59.01382	36.7
61.98835	100.0
63.76720	2.5
71.01405	19.1
72.99323	2.8
73.02944	8.6
75.00882	31.8
85.02965	4.9
87.00881	3.5
88.98812	5.9
89.02445	18.2
89.53043	2.5
100.45678	2.3
101.02454	11.8
113.02442	7.7
119.03525	3.9
121.02959	55.7
121.03593	2.0
122.03240	3.7
136.18880	2.5
148.97984	2.6
149.01201	2.5
149.04585	3.8
160.91383	2.5
230.50327	3.4
269.79758	2.8
345.07846	3.6
349.20535	3.4
421.24445	2.9
471.57248	3.1
493.26917	2.9
553.24243	18.5
553.33209	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	553.2428
Annotation	Rubriflorin C
Peak:m/z	Relative Intensity
53.71667	1.5
57.03450	1.9
59.01393	21.7
61.36597	1.4
61.98841	26.0
69.20293	2.6
69.20689	7.6
71.01398	11.4
72.99284	1.8
73.02956	3.3
75.00863	3.5
78.10871	1.5
78.95915	36.2
80.88995	1.6
83.01380	2.2
83.05020	4.0
85.02947	5.6
89.02460	5.1
96.96960	3.9
98.22626	3.5
99.08172	1.7
101.02435	5.0
113.02444	4.0
125.02461	1.8
127.07676	3.9
149.04579	3.0
152.99602	46.7
153.09210	4.0
160.01631	1.8
161.04538	2.0
171.00641	4.9
171.10251	4.4
185.11870	3.7
197.11841	8.5
209.11867	25.6
227.03265	3.9
238.12036	3.0
245.04474	1.4
245.18958	1.8
248.61140	1.5
250.77780	1.9
289.18103	5.7
307.19147	18.0
312.42316	1.8
325.20285	12.7
416.43185	1.6
461.19189	3.3
463.02103	1.7
493.26593	2.8
517.29694	2.2
553.24255	100.0
553.31866	6.7
554.24359	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.6
59.01385	100.0
61.98833	52.6
62.20388	5.2
69.23415	27.6
71.01379	30.4
73.02959	6.4
85.02965	10.8
87.00903	6.8
89.02437	26.5
92.49476	4.9
101.02457	27.8
111.00905	5.3
113.02470	9.9
125.06104	8.0
149.04532	7.7
161.04556	7.5
209.11969	7.2
222.73532	5.5
227.03574	6.3
253.09283	17.1
263.16528	25.5
266.80984	5.3
281.17587	24.6
283.13422	6.3
363.13528	6.1
553.24097	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03453	1.0
59.01385	52.6
61.98832	6.1
69.26596	1.6
69.27001	1.2
71.01390	18.8
73.02953	15.1
74.52032	0.5
75.00877	1.6
76.05458	0.5
83.01385	4.0
85.02953	6.5
87.00884	1.4
89.02456	9.7
93.03440	0.5
95.01395	1.3
97.02945	1.1
99.00874	1.7
101.02450	16.9
108.02152	0.7
108.78093	0.5
111.00906	0.5
113.02464	7.8
117.73667	0.5
119.03496	4.2
120.02159	1.8
121.11990	0.5
125.02423	1.3
127.58540	0.5
131.03508	0.7
134.23903	0.5
135.53470	0.5
139.39445	0.5
143.03522	1.0
161.04590	3.5
164.01100	1.9
165.01534	1.0
167.03459	0.6
179.05617	1.5
192.00664	6.6
193.01028	4.8
194.01834	0.8
229.16023	1.1
287.20215	1.4
303.19730	3.6
305.21231	2.3
331.19147	13.1
349.20190	6.2
355.06683	2.3
356.07059	3.1
449.25189	0.6
467.26590	2.8
493.24469	16.9
494.24811	0.6
503.32416	0.5
511.25500	6.7
553.14258	11.5
553.26538	100.0
554.14282	0.9
554.26923	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	553.2662
Annotation	Salviadienol B
Peak:m/z	Relative Intensity
55.01871	1.1
57.03441	1.9
59.01385	52.7
61.98833	12.7
69.03438	0.5
69.14844	1.7
69.15256	1.2
71.01387	19.1
72.99303	1.1
73.02950	14.8
75.00873	2.5
83.01388	3.6
85.02961	7.5
87.00867	1.1
89.02452	11.0
93.03439	0.5
95.01409	1.5
97.06598	0.5
99.00875	1.0
101.01798	1.0
101.02448	17.7
111.00896	0.7
113.02450	7.6
119.03521	4.4
120.02177	1.2
121.02950	0.5
125.02438	1.5
143.03497	1.2
149.04533	0.7
160.01692	0.5
161.04578	4.0
162.22276	0.4
164.01129	2.1
165.01489	1.1
179.05565	1.4
192.00647	7.7
193.01100	4.1
194.01706	0.5
205.01268	0.6
229.15955	0.6
231.17383	0.6
239.02808	0.4
285.03580	1.1
287.20233	2.2
303.19623	3.2
305.21219	2.0
331.19162	10.3
349.20145	4.0
355.06592	2.6
356.06985	2.9
390.07898	0.8
467.26624	2.4
490.10626	0.7
493.17108	0.8
493.24466	14.2
494.24918	0.6
511.25568	4.6
525.26862	1.1
553.14429	9.3
553.26477	100.0
554.14307	0.9
554.26874	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2872
Annotation	Sedumoside A5
Peak:m/z	Relative Intensity
55.01870	2.2
57.03180	1.1
57.03455	14.6
59.01385	85.9
60.01712	1.2
60.99299	1.2
61.98809	4.2
66.57782	0.9
67.45483	0.8
69.03463	1.4
71.01389	40.0
71.42474	1.1
72.99310	2.0
73.02953	10.2
75.00871	1.4
83.01385	4.2
85.02961	16.9
87.00867	3.1
88.98829	6.1
89.02453	30.0
95.01379	3.7
97.02956	1.1
99.00883	2.5
99.02122	1.0
99.04517	7.5
101.02454	35.9
102.02796	1.2
103.04026	38.2
111.00889	2.2
113.02466	15.9
116.25712	1.0
119.03517	10.6
121.02991	1.1
125.02472	7.7
131.03528	1.7
143.03526	3.6
149.04555	1.4
159.03021	1.5
160.04089	2.5
161.04567	6.9
165.01923	1.3
165.99046	4.9
176.62016	1.1
179.05585	3.5
180.91797	1.0
191.05615	1.0
193.05098	1.4
193.98589	12.9
194.99234	1.1
223.08369	1.0
301.03479	1.2
357.04688	9.5
391.23410	17.8
421.24310	4.2
463.08820	2.0
493.22983	1.9
522.09131	1.1
535.18890	1.5
553.28577	100.0
554.11615	13.0
554.28784	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	553.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03180	1.1
57.03455	14.6
59.01385	85.9
60.01712	1.2
60.99299	1.2
61.98809	4.2
66.57782	0.9
67.45483	0.8
69.03463	1.4
71.01389	40.0
71.42474	1.1
72.99310	2.0
73.02953	10.2
75.00871	1.4
83.01385	4.2
85.02961	16.9
87.00867	3.1
88.98829	6.1
89.02453	30.0
95.01379	3.7
97.02956	1.1
99.00883	2.5
99.02122	1.0
99.04517	7.5
101.02454	35.9
102.02796	1.2
103.04026	38.2
111.00889	2.2
113.02466	15.9
116.25712	1.0
119.03517	10.6
121.02991	1.1
125.02472	7.7
131.03528	1.7
143.03526	3.6
149.04555	1.4
159.03021	1.5
160.04089	2.5
161.04567	6.9
165.01923	1.3
165.99046	4.9
176.62016	1.1
179.05585	3.5
180.91797	1.0
191.05615	1.0
193.05098	1.4
193.98589	12.9
194.99234	1.1
223.08369	1.0
301.03479	1.2
357.04688	9.5
391.23410	17.8
421.24310	4.2
463.08820	2.0
493.22983	1.9
522.09131	1.1
535.18890	1.5
553.28577	100.0
554.11615	13.0
554.28784	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	553.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50163	0.4
55.01877	0.9
59.01385	100.0
61.98837	1.0
69.03465	0.5
71.01392	18.5
73.02954	17.6
74.57654	0.5
77.62263	0.4
83.01401	4.8
85.02940	3.8
85.08334	0.4
87.00874	1.0
89.02455	14.4
95.01418	1.4
97.02975	0.5
97.21943	0.5
98.22686	1.2
99.00899	0.6
101.02453	18.6
113.02458	8.0
119.03522	7.4
125.02493	1.2
131.03546	1.7
143.03560	2.8
149.04593	1.6
161.04585	5.9
179.05608	6.0
179.06947	0.5
203.05733	0.6
220.66656	0.5
386.79285	0.5
391.24686	0.5
400.77557	0.5
493.28375	2.3
499.67590	0.8
511.29230	11.3
512.29895	0.7
553.30005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81958	46.5
53.22720	49.6
56.17561	49.3
61.26875	52.7
61.98825	57.5
66.03641	49.9
70.62822	66.3
70.63144	61.6
82.60257	46.3
89.12680	46.2
113.83240	48.6
129.75967	51.1
281.24872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42926	5.3
67.74786	4.8
69.03446	16.6
71.31347	6.2
78.91492	4.3
108.14336	4.9
123.08114	8.2
143.88539	4.8
151.11232	6.5
161.09706	15.8
162.25511	5.7
179.10826	41.6
197.11818	96.7
197.55586	6.3
241.10765	19.0
255.20856	8.8
255.23323	100.0
260.50885	5.2
297.13327	10.0
315.14511	24.0
355.40323	6.7
422.88934	5.3
553.37433	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.0
59.01080	0.8
59.01385	14.7
60.01679	0.7
60.27357	0.6
61.98835	7.3
65.00327	0.8
68.99814	1.0
69.16734	2.7
69.17144	1.0
71.01387	8.0
72.31242	0.6
72.74940	0.5
72.99314	0.8
73.02949	2.4
75.00875	4.2
75.69120	0.6
78.01114	9.1
78.95905	0.6
81.03456	0.6
83.01398	1.3
85.02957	2.4
87.00882	1.0
88.98798	1.0
89.02457	4.9
93.03493	0.6
94.00625	4.5
95.01401	2.7
96.96020	1.5
97.02952	0.9
99.00893	0.7
99.04514	1.4
101.02457	6.3
102.02782	0.8
103.04027	1.0
107.01402	1.9
109.02983	1.4
109.95399	0.6
110.00105	0.7
113.02477	2.4
119.03497	1.1
121.02959	1.4
122.00110	3.4
123.00895	2.2
125.02423	2.6
131.03485	1.2
134.73140	0.6
137.02461	1.8
137.99576	3.4
149.02400	0.9
149.04594	1.2
149.99609	8.9
151.00407	3.2
160.01595	0.6
161.04552	1.6
163.00468	0.9
165.01923	3.0
165.99091	35.6
166.05157	2.3
166.99597	0.8
175.04031	0.8
181.03767	0.7
182.04419	0.7
182.75435	0.6
193.01460	1.5
193.98575	100.0
194.99277	2.9
200.13559	0.5
230.04704	0.9
276.95392	0.7
290.02463	1.4
305.04904	2.0
313.05563	0.7
335.12546	1.0
357.04663	98.3
358.04849	3.1
374.05136	1.0
375.22989	0.7
391.05591	1.6
391.23633	0.9
392.23590	0.9
406.97849	0.6
481.24515	1.6
506.26855	2.0
507.27148	3.4
508.27075	1.1
553.32520	8.7
554.11566	57.0
554.33325	6.2
555.11945	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	554.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28978	0.2
57.03460	0.3
59.01382	2.7
60.00371	0.3
61.98835	100.0
65.28916	0.3
69.44012	0.8
69.44408	0.5
71.01376	1.4
73.02951	0.4
75.00887	1.7
82.95436	0.4
85.02965	0.7
88.98843	0.3
89.02455	0.8
99.00925	0.3
101.02470	1.0
113.02450	0.5
121.02991	0.5
125.02464	0.3
134.03781	0.3
135.15845	0.3
160.01761	0.7
161.02480	0.8
165.76472	0.3
175.04033	1.8
177.01955	0.3
193.05147	0.4
209.90218	0.3
215.02609	0.3
225.00531	0.2
230.51622	0.3
234.99327	0.3
302.27139	0.3
349.20175	4.4
491.15604	3.0
553.32288	0.9
554.15527	0.9
554.31714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13119	0.3
59.01385	100.0
60.01715	0.7
61.98828	0.4
69.77258	0.7
69.77642	0.7
71.01389	0.8
73.02979	0.4
89.02475	0.7
101.02483	0.4
135.72310	0.3
177.83075	0.3
191.71736	0.4
298.39673	0.4
351.56104	0.4
366.21814	0.3
422.28226	0.4
554.30780	0.9
555.21869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00110	0.8
59.01384	20.2
60.17845	0.8
61.98808	0.9
69.22970	0.7
70.31059	2.1
70.66426	0.8
75.77373	0.9
78.95908	18.6
80.96516	0.8
123.36866	0.9
152.99585	3.1
168.04311	3.1
168.94743	0.8
196.81882	0.8
224.06935	7.6
241.21890	1.1
242.07964	1.6
255.23322	100.0
256.23737	2.0
294.96631	0.9
480.30997	58.9
481.31302	2.8
554.27301	2.0
576.68768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65392	4.5
51.18975	4.2
52.05362	4.5
53.01804	4.3
56.72612	3.9
57.03440	8.4
59.01383	100.0
61.98838	22.1
69.41603	25.1
71.01389	35.7
73.02956	14.9
75.00898	4.5
76.23763	4.7
85.02954	15.2
88.98817	8.4
89.02462	24.0
98.22659	8.9
99.00865	7.2
101.02474	27.0
103.01520	26.2
103.04008	5.7
111.00874	8.2
113.02459	13.7
119.03522	10.4
119.04974	5.1
128.22652	4.5
137.02654	6.2
146.03763	8.5
149.04533	9.0
160.04066	8.0
161.04512	10.1
161.06056	4.3
165.99049	14.4
166.99466	9.5
179.07129	13.8
183.08844	5.0
193.98604	41.5
194.98921	22.2
313.47369	5.6
323.39639	4.9
357.04666	20.6
358.05072	24.8
423.26251	8.0
495.24564	9.4
519.24231	6.2
555.11914	57.7
555.22113	96.1
555.29883	41.3
556.12335	6.6
556.21960	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	555.2218
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
57.03455	9.6
59.01390	67.1
61.98825	35.2
64.77164	4.0
71.01387	44.0
73.02950	13.5
75.00855	6.4
83.01422	4.1
85.02963	11.2
88.98839	5.9
89.02454	44.2
95.72076	3.8
98.22632	8.0
99.00883	9.0
99.28615	4.0
101.02454	31.6
111.00888	10.9
113.02473	15.9
121.02919	5.5
122.03785	4.2
125.02417	6.7
131.03540	11.8
149.04573	36.0
150.03247	12.0
161.04504	7.7
179.05504	6.7
251.07788	6.0
351.21829	12.8
352.66492	4.6
477.19443	8.6
519.24493	19.5
536.40381	5.2
555.22284	100.0
555.30768	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	555.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22187	1.9
59.01387	33.1
61.98843	3.1
65.09432	2.3
69.67229	2.4
71.01380	23.2
72.99319	2.4
73.02945	5.0
82.95422	18.3
85.02959	5.4
88.98804	2.5
89.02463	17.2
99.00868	6.4
101.02460	15.8
111.66642	1.9
113.02472	6.6
119.03509	2.4
123.75893	2.3
125.02451	3.2
127.93934	2.2
131.03496	3.7
141.18304	2.2
143.03557	2.4
149.04573	4.8
150.72588	2.1
161.04553	3.2
302.55371	2.7
345.14529	2.7
367.83237	2.4
387.20267	10.0
393.11850	3.9
411.16501	5.0
519.24542	100.0
520.24756	3.8
555.22076	70.7
556.22418	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	555.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76346	1.1
59.01389	8.5
60.99309	17.2
61.98836	5.0
68.64870	1.4
69.19758	6.7
71.01384	3.4
73.02963	1.6
87.00867	1.1
88.98817	100.0
89.02460	14.5
98.22665	1.6
101.02462	3.3
103.04018	1.6
108.42586	1.2
111.98042	1.1
119.12134	1.1
121.02959	1.7
122.03749	1.3
133.02911	1.2
142.63034	1.2
149.02399	1.7
150.03247	5.7
161.06044	1.3
165.05547	4.6
167.03543	2.3
170.40173	1.1
186.58673	1.2
195.06589	1.9
209.59146	1.3
273.03638	1.2
329.13907	2.8
350.03519	2.7
378.02917	10.0
381.14798	1.3
385.75674	1.2
420.03711	1.1
477.19290	6.3
525.20819	1.6
528.60101	1.5
541.09094	5.6
556.11285	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	555.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71017	1.6
52.13778	1.7
59.01389	22.9
60.94938	1.7
61.98829	12.0
65.05962	1.9
67.01904	6.6
71.01398	3.8
71.41154	2.1
77.89251	1.7
85.02966	91.8
89.02461	2.4
99.53054	1.6
101.02446	5.7
111.00900	100.0
116.92920	2.8
116.97293	1.9
120.57314	1.7
123.04548	7.8
125.09814	2.7
129.01959	46.5
129.90450	2.0
135.04454	2.2
153.09238	2.5
180.04707	1.9
185.11841	5.3
198.48409	1.8
200.91344	2.0
203.10794	4.4
212.20752	2.0
277.14423	11.3
281.17581	5.7
289.18112	4.9
290.85754	1.8
307.19238	5.3
325.19931	2.8
331.22900	6.6
339.19910	2.9
357.20700	8.1
511.25604	16.9
555.25629	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	555.2847
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01384	0.9
63.96239	1.1
66.09710	0.4
66.16404	0.3
69.03474	0.4
71.01382	5.4
72.39236	0.3
73.02953	1.8
75.12736	0.3
78.98595	5.1
79.95737	9.5
80.96523	61.9
81.03469	0.7
83.73680	0.4
85.02944	2.3
87.00883	2.4
94.98093	13.9
96.96024	0.8
97.02956	1.4
101.02410	2.1
106.98110	2.5
122.97592	2.5
125.02474	2.4
127.04013	0.7
134.97610	4.1
136.99152	1.3
148.99155	5.3
152.98669	4.8
164.98642	11.6
167.00217	0.4
181.78671	0.3
182.99628	0.5
206.99727	2.3
224.98575	0.9
225.00748	14.7
255.23280	1.7
286.82397	0.5
299.04385	3.2
412.10895	0.4
473.46487	0.4
555.28467	100.0
556.28650	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	555.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18935	0.5
56.68076	0.5
59.01366	1.3
59.99780	0.4
63.96239	0.6
71.01091	0.5
71.01394	6.4
73.02954	1.6
78.98589	5.0
79.95744	8.9
80.96523	59.7
81.03465	0.8
85.02938	2.5
87.00892	2.7
89.51251	0.4
94.98098	13.1
96.96013	1.2
97.02954	0.9
99.00880	0.7
100.31758	0.5
101.02443	2.1
106.98109	2.9
113.02534	0.6
114.56602	0.5
122.97594	3.6
125.02490	2.7
127.03950	0.5
134.97559	4.1
136.99133	1.2
148.99156	5.2
152.98653	4.7
156.71211	0.4
164.98630	10.0
206.99683	2.5
213.12990	0.5
225.00746	12.0
235.05930	0.5
255.23308	1.6
295.04782	0.5
299.04340	2.7
407.26382	0.5
481.83044	0.5
555.28467	100.0
556.28613	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	555.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.8
59.01387	79.5
61.98834	100.0
69.23941	14.6
69.24339	10.1
71.01397	26.3
73.02964	9.8
75.00878	13.4
78.33047	4.0
78.95914	12.4
83.01381	5.7
85.02977	7.6
87.00909	7.3
89.02463	15.8
99.04517	6.2
101.02457	17.3
113.02455	12.7
116.92887	9.3
121.02963	7.1
134.03767	5.2
152.99603	9.5
156.42310	5.0
246.89911	4.2
294.46146	4.1
326.21033	4.3
333.47601	4.9
376.56918	4.5
495.26831	5.9
519.32025	25.9
555.30444	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2951
Annotation	Cucurbitacin E
Peak:m/z	Relative Intensity
57.03445	6.8
59.01387	79.5
61.98834	100.0
69.23941	14.6
69.24339	10.1
71.01397	26.3
73.02964	9.8
75.00878	13.4
78.33047	4.0
78.95914	12.4
83.01381	5.7
85.02977	7.6
87.00909	7.3
89.02463	15.8
99.04517	6.2
101.02457	17.3
113.02455	12.7
116.92887	9.3
121.02963	7.1
134.03767	5.2
152.99603	9.5
156.42310	5.0
246.89911	4.2
294.46146	4.1
326.21033	4.3
333.47601	4.9
376.56918	4.5
495.26831	5.9
519.32025	25.9
555.30444	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76944	0.8
51.09881	0.8
56.98038	0.9
59.01386	9.1
60.58876	0.7
60.99309	2.6
61.95029	0.7
61.98835	11.0
64.11633	0.8
65.84328	0.9
66.91198	0.9
69.09145	5.9
71.01401	4.0
73.02953	1.6
75.00897	0.8
81.98847	1.5
85.02992	1.0
87.00864	0.8
88.45866	0.8
88.98816	15.0
89.02473	4.4
89.99146	1.2
92.99811	1.1
93.03450	0.9
95.01411	1.8
98.22672	1.8
98.99117	2.3
99.00887	0.9
101.02467	3.2
110.99122	1.5
116.92943	0.9
120.00921	1.2
121.02973	3.0
123.00890	3.2
124.40752	0.8
126.98610	5.9
135.04520	1.3
137.97864	1.5
143.03616	0.9
147.04538	0.9
148.00352	1.2
149.02501	1.7
150.03229	1.9
153.97342	6.0
154.98120	1.9
160.15225	0.9
164.03566	1.0
165.05536	1.6
166.01512	1.3
180.03143	4.4
181.03816	9.6
182.97614	1.5
195.05359	3.0
196.06195	17.5
202.01451	0.8
205.03873	1.9
207.01794	2.9
222.04068	2.1
227.02187	1.1
230.66527	1.0
254.01099	1.2
258.04099	1.7
258.99426	1.4
275.97281	1.0
283.01212	1.6
285.98346	1.2
286.03506	1.6
287.04562	1.2
290.01443	1.1
302.98483	3.5
313.97855	1.3
314.03210	1.8
318.00714	2.6
318.06158	11.3
330.00955	1.9
330.97980	6.5
345.05045	3.6
346.00375	8.2
346.05591	6.9
347.00784	1.5
349.99240	1.8
350.03415	26.5
361.02637	2.4
362.03448	2.8
378.02933	100.0
379.03503	7.8
393.05203	5.7
394.05991	5.0
408.03986	1.5
477.19180	1.7
478.19568	3.9
509.06281	2.8
524.08734	5.9
541.09021	66.5
542.09412	4.3
556.11365	93.8
557.11920	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	556.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84050	0.2
59.01389	1.0
61.98837	100.0
68.22044	0.2
71.01373	0.5
73.02930	0.3
74.20759	0.2
89.02428	0.3
98.58915	0.3
101.02444	0.2
103.62238	0.2
112.88979	0.2
121.02955	0.4
335.22256	0.5
452.38162	0.3
462.87012	0.2
556.26563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58082	0.5
59.01384	5.1
69.11298	1.8
69.11707	2.0
71.01385	2.5
73.02931	1.2
85.02979	0.6
89.02453	3.3
101.02477	2.8
113.02507	1.2
119.03494	0.7
142.13086	0.5
161.04572	1.2
185.43774	0.6
216.26656	0.7
231.91867	0.6
235.08298	1.7
239.42113	0.5
253.09311	14.1
259.20773	0.9
277.21744	100.0
278.22095	3.7
279.23425	0.9
279.49634	0.6
282.53482	0.6
286.91003	0.6
497.69769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35126	0.9
59.01372	3.7
64.95007	0.9
71.01384	4.1
73.02925	1.0
80.09397	0.9
89.02444	2.1
101.02464	2.4
103.93530	0.9
106.67611	0.9
113.02444	1.1
130.79483	0.9
143.52589	1.2
161.04536	1.4
180.59045	0.9
221.97815	0.9
229.24049	1.0
235.08345	1.3
253.09317	16.8
264.54175	1.1
277.21756	100.0
278.22015	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	557.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50956	0.4
57.03448	0.4
59.01384	5.2
61.98836	100.0
71.01389	1.9
73.02955	0.9
81.03475	1.2
85.02950	0.8
87.00861	0.4
87.44272	0.4
88.98824	0.6
89.02453	1.1
98.22643	0.8
99.00885	0.5
101.02477	1.9
111.00874	0.8
113.02466	1.0
116.50444	0.4
116.83646	0.4
118.50986	0.4
119.03514	0.7
119.05032	0.8
121.02980	1.4
135.04617	0.9
161.04593	0.6
179.03540	0.4
180.03128	1.0
187.04190	0.4
241.03787	0.4
263.12985	1.2
284.02066	0.7
299.04691	0.4
300.05151	1.5
331.06851	0.8
332.07788	2.2
335.22287	0.7
364.60074	0.4
401.35690	0.5
413.15033	0.5
443.29514	0.5
461.60538	0.5
462.10962	0.5
494.12958	2.5
497.27884	1.2
513.13678	0.5
525.23810	1.2
557.31622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56775	0.8
57.86106	0.7
59.01384	11.7
60.01734	0.8
61.98836	100.0
71.01385	7.1
71.44659	1.1
73.02963	2.4
75.00877	1.0
78.91864	1.0
83.01392	1.1
85.02956	2.0
86.00985	0.8
87.00883	1.9
88.98763	1.0
89.02457	4.9
91.02876	0.8
92.97489	2.1
93.03450	0.7
96.96020	0.9
99.00893	0.9
101.02428	4.6
111.00900	4.3
113.02461	2.3
116.92856	2.1
118.03022	2.3
121.02960	9.5
125.02569	1.1
129.20206	0.9
130.88844	0.9
133.01697	4.4
134.02475	2.9
149.04552	2.2
163.03981	1.4
179.05577	1.2
180.03035	10.1
186.51642	0.8
217.18448	0.8
241.03781	1.6
269.03244	1.0
285.02771	7.0
290.19055	1.1
299.04395	1.3
300.05106	2.3
316.04568	2.6
331.06949	3.8
332.07770	7.8
351.22012	5.5
352.22046	2.5
417.86438	0.8
447.08212	1.1
462.10568	2.9
478.13248	1.7
494.13040	22.6
497.26160	1.6
519.24597	1.6
556.31616	1.3
557.22400	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	557.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.0
59.01382	100.0
61.98836	34.0
65.27027	3.4
67.01878	5.0
71.01385	38.4
71.40707	4.1
73.02946	12.0
85.02969	9.7
87.00892	15.5
88.98826	16.7
89.02455	50.9
93.03433	4.8
95.51950	3.5
99.00858	4.6
101.02447	23.3
105.31840	3.8
106.81535	3.2
109.02973	5.0
109.06618	3.9
111.00896	34.0
113.02484	20.8
115.98864	3.8
119.03538	15.0
121.02974	8.0
131.03525	5.0
135.04521	9.3
142.73196	3.6
145.02910	4.7
161.04562	13.0
169.98521	4.4
174.03207	5.2
175.04124	4.2
179.03526	10.6
179.05634	12.3
186.64143	4.2
191.05597	6.9
234.14555	3.9
283.09903	3.9
311.09332	11.6
324.26657	4.1
324.89581	3.7
326.11566	8.1
335.22302	5.3
341.14005	17.5
354.50638	4.0
378.15204	4.4
425.14804	6.3
430.69055	4.5
497.27499	12.9
521.26343	4.6
557.24261	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	557.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.2
60.77979	2.8
61.98837	22.9
68.01844	3.0
70.72550	5.2
71.01392	19.3
73.02966	4.1
74.00021	3.1
75.90849	3.3
84.79823	3.5
85.02935	6.2
88.04052	11.0
89.02448	9.8
92.75370	2.9
99.00886	3.5
100.73898	3.0
101.02457	9.9
107.40292	2.8
111.00891	9.0
113.02436	3.7
161.04593	5.5
162.66985	3.3
370.28641	3.2
389.21719	8.6
412.23578	3.2
521.26068	88.4
522.25909	15.5
557.23669	100.0
558.24084	4.5
559.20483	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	557.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	30.9
61.98831	22.5
63.12966	3.8
69.80947	13.5
71.01382	15.2
73.02943	4.5
82.48732	3.6
83.41487	3.6
88.41492	4.0
89.02454	11.3
90.47711	3.6
101.02448	10.3
152.44427	3.4
154.76498	4.0
179.73613	3.7
389.22070	6.8
510.59567	4.2
521.26038	100.0
522.25775	7.9
557.23706	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
58.10898	0.4
59.01384	23.5
61.98842	2.0
64.36517	0.4
69.14079	2.6
69.96633	0.4
71.01387	4.5
73.02968	0.5
83.01386	0.5
85.02949	1.5
85.84223	0.5
89.02460	3.8
95.01379	0.9
96.69156	0.4
98.22694	0.8
100.32537	0.4
101.02454	6.2
113.02454	4.0
117.03486	1.0
119.03520	6.2
119.04983	0.4
128.52000	0.4
145.02974	5.4
161.04582	1.4
202.06290	0.4
207.07013	0.4
210.78038	0.5
228.97231	0.5
231.10141	0.4
271.20691	4.5
287.20218	1.2
289.21878	4.0
317.21237	14.1
318.21631	0.8
335.22293	100.0
336.22610	5.4
377.23315	4.5
407.24060	0.5
411.16623	1.1
445.03040	0.5
521.33203	0.7
557.20447	0.9
557.30804	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	557.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35385	2.3
59.01370	6.9
61.98811	2.9
63.91266	2.1
69.03462	9.1
70.82526	2.8
70.82861	2.8
71.01377	3.6
71.04998	2.9
80.29636	2.2
80.81035	2.3
83.05036	5.8
83.60181	2.1
85.91270	2.3
89.02489	2.8
101.02441	2.4
109.49023	2.3
125.09752	6.2
151.11330	4.2
153.12744	3.1
158.47353	2.2
161.09732	7.2
163.11285	9.8
179.10800	26.8
191.14377	2.8
197.11847	86.0
198.12210	3.3
209.11844	68.8
223.09642	2.3
227.12875	8.4
241.10832	10.6
253.09344	5.9
289.18073	11.5
297.13519	7.6
315.14493	14.0
321.20779	20.9
420.95734	2.5
525.27075	100.0
526.27979	3.5
557.29224	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	557.3113
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03452	20.5
59.01387	54.9
61.98838	43.5
63.07991	4.1
63.77049	3.5
69.45545	17.3
71.01398	15.1
73.02959	4.9
85.02987	5.8
85.55997	3.2
89.02414	9.4
96.96025	47.2
99.04575	12.5
101.02470	13.5
113.02505	5.0
119.03485	5.9
121.02998	5.2
125.02441	6.1
161.04526	6.1
252.44064	5.1
255.02953	9.8
271.20584	6.5
284.03333	8.6
285.03873	5.2
317.21204	7.1
335.22305	60.7
340.99692	3.9
383.00812	19.6
455.58240	4.1
459.09457	5.8
497.27841	5.7
521.33545	48.2
522.33820	5.1
557.31476	100.0
558.31671	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	558.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00588	0.4
55.01885	0.6
59.01384	10.7
61.98837	2.5
69.03463	0.8
71.01391	3.7
71.42162	0.5
73.02960	4.4
78.12192	0.4
81.84894	0.4
85.02959	2.0
85.22385	0.5
87.00885	0.9
89.02470	3.6
99.00922	0.4
101.02457	4.4
102.13375	0.5
103.04011	1.7
109.86461	0.5
111.00858	0.8
113.02455	0.9
115.04030	0.7
115.92129	0.4
116.92873	2.8
119.03535	1.6
121.02972	100.0
122.03283	1.5
125.02467	1.5
127.04083	0.6
131.03535	1.1
142.53374	0.4
143.03494	1.2
145.05110	0.5
161.02625	0.5
163.06139	4.5
191.05708	0.9
205.07146	2.3
207.06715	1.8
248.49667	0.5
264.34314	0.4
307.10226	1.1
477.14124	0.5
515.17877	0.5
559.14685	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.3
58.45161	0.3
59.01385	8.3
61.98829	1.9
64.34124	0.3
69.03437	0.3
71.01399	2.1
73.02940	2.9
74.21210	0.3
85.02969	1.6
87.00877	0.9
87.04532	0.5
89.02454	2.4
96.96011	0.4
97.05313	0.3
99.92590	0.5
100.93356	0.5
101.02450	3.9
103.04015	1.9
109.81359	0.4
111.00889	0.6
116.92865	2.2
119.03505	0.9
121.02968	100.0
122.03310	1.4
125.02439	1.2
131.03551	0.5
143.03522	0.9
145.05013	0.4
161.04697	0.4
163.06139	3.5
164.04900	0.4
205.07193	1.3
207.06627	1.0
307.10516	0.4
362.16190	0.6
388.17502	1.1
497.52618	0.4
497.83304	0.4
515.17438	0.5
559.15625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79361	0.3
57.53130	0.3
59.01384	100.0
60.01715	0.6
61.98829	0.9
66.27524	0.3
69.38993	1.5
71.01400	1.0
71.04464	0.3
76.97836	0.3
78.74165	0.3
88.14491	0.3
89.02474	0.4
90.99734	0.3
91.53312	0.3
98.21935	0.7
101.02485	0.8
119.37688	0.3
135.04588	0.4
169.07870	0.3
173.06039	0.3
430.22903	0.5
434.22098	0.5
448.23383	1.6
466.24966	0.6
498.22723	0.7
545.49469	0.3
558.29437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71075	4.1
57.33810	4.7
62.38490	3.8
64.94747	3.5
69.04092	4.4
69.10297	19.5
69.10703	8.2
101.21147	4.0
136.74855	4.1
253.09274	11.4
279.23303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11525	1.6
58.51953	1.4
59.01379	2.0
61.98830	7.6
70.31911	3.9
70.64221	1.5
71.01381	3.5
89.02410	1.6
90.60440	1.5
92.45006	1.4
100.23247	1.6
101.02454	2.2
128.43034	1.6
129.37642	1.6
189.66139	1.5
232.85295	1.9
235.08238	2.3
253.09279	13.3
279.23306	100.0
280.23743	3.8
281.24823	6.1
467.24451	1.7
495.28122	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78728	2.4
59.01391	2.8
60.56496	2.4
63.41529	2.8
85.02951	14.8
99.60751	3.3
111.00893	31.0
129.01962	7.7
156.98190	4.5
158.99780	62.8
166.96597	6.0
184.97701	100.0
206.99780	24.3
225.00795	6.1
227.02400	24.0
228.96671	35.5
234.99156	18.2
249.86250	3.2
253.00302	37.6
278.98273	61.0
296.99295	40.5
308.97128	6.2
322.97171	13.0
334.94855	6.2
340.98294	80.4
341.98480	2.7
360.92892	3.8
378.94376	3.5
384.97394	53.5
388.38098	3.5
422.92740	5.4
578.17371	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	558.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82647	2.2
67.01861	2.7
69.35114	4.1
69.35516	11.3
78.95893	2.5
85.02959	8.3
90.97135	5.7
101.80338	2.2
111.00882	25.3
129.01970	3.2
134.59674	2.3
158.99770	49.3
166.96704	3.9
184.97701	100.0
206.99770	30.2
209.01370	3.0
225.00830	7.5
227.02425	29.6
228.31480	2.5
228.96655	29.4
234.99211	15.7
246.93428	3.0
253.00307	38.9
278.98309	62.8
296.99335	31.3
304.95898	2.9
308.96893	7.3
322.97214	10.3
334.94852	8.0
337.49081	2.5
340.98267	59.3
360.92709	4.6
366.96152	4.9
374.11105	2.6
384.84912	3.7
384.97275	52.1
422.92810	7.4
452.86810	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	559.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.4
61.98809	8.2
62.93052	3.6
69.90990	4.0
71.01392	9.9
72.19292	4.0
74.40717	3.6
85.02966	4.4
89.02435	11.1
91.06168	3.5
98.21882	8.1
101.02444	8.4
105.18872	4.1
108.49957	3.6
113.02523	4.3
149.10706	3.6
174.26930	3.6
175.03992	3.8
267.06653	20.0
282.09088	5.9
309.06519	12.9
324.08725	37.7
324.57327	3.9
339.11142	47.4
354.13474	100.0
406.63443	3.9
491.19366	9.1
499.28717	7.9
541.18909	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
57.26293	0.6
58.48383	0.6
59.01385	18.6
61.98838	4.5
63.96234	0.8
69.03439	0.9
69.44621	1.1
69.44965	1.7
71.01022	0.9
71.01391	16.5
72.99312	0.7
73.02966	3.3
78.95899	0.6
78.98603	5.5
79.95737	7.5
79.96162	0.9
80.83850	0.6
80.96525	47.9
81.03446	1.0
83.01401	1.1
85.02964	5.0
87.00891	3.1
88.98815	0.5
89.02454	10.5
94.98106	11.2
95.01405	1.0
96.96009	2.1
97.02946	2.4
99.00919	1.5
99.04498	2.1
101.02451	7.6
106.98103	2.8
111.00858	1.7
113.02476	3.2
119.03483	2.1
122.97599	2.7
125.02482	4.4
131.03523	1.4
134.97581	2.6
135.04518	0.5
136.99126	1.3
143.03362	0.7
148.99158	4.8
149.04543	2.1
152.98660	4.3
161.04565	1.1
163.06064	1.3
163.34729	0.6
164.98642	11.6
167.03654	0.6
175.04041	1.2
179.03625	0.8
179.05612	0.7
191.05643	1.3
206.99699	1.9
209.11916	3.0
225.00760	14.7
273.14951	0.8
286.16940	0.5
293.08710	1.9
294.94592	0.5
299.04477	3.0
317.14124	0.7
356.56506	0.6
499.28967	1.6
527.18140	3.6
541.19757	2.6
559.20636	100.0
560.21033	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	559.2275
Annotation	(+)-1,2-Dehydrotelobine
Peak:m/z	Relative Intensity
52.93019	1.3
59.01375	5.4
61.98824	2.4
69.19080	9.2
71.01387	4.3
73.02952	1.8
73.18078	1.4
75.00886	1.6
78.95899	3.3
82.02993	8.9
83.10699	1.4
89.02443	4.1
93.03474	5.0
96.00913	10.0
96.83549	1.5
96.96021	21.2
96.96965	5.4
98.02483	18.1
99.00867	3.1
99.02027	1.4
101.02446	2.4
109.01707	2.4
110.02501	5.1
110.07259	16.2
111.00889	1.5
112.47564	1.3
113.02421	2.2
113.03583	7.7
113.07206	3.6
119.05032	5.6
125.03540	3.8
127.05143	1.6
133.05370	2.2
134.06119	12.0
135.04591	1.8
137.08360	2.8
139.05150	1.8
153.28337	1.3
155.09421	1.9
156.07796	100.0
163.04021	3.4
175.03987	1.5
178.58916	1.4
180.06680	16.1
181.07298	4.9
193.05023	1.5
198.09975	81.9
215.08255	3.4
233.09305	6.2
235.06148	1.9
241.03792	2.5
260.05698	2.5
264.11053	1.4
277.08206	11.5
281.13718	20.6
295.08496	3.2
295.11575	14.0
337.06186	2.9
375.22855	1.4
378.15302	5.6
410.00067	1.6
462.21130	14.0
476.18994	3.3
480.11371	2.6
483.17676	1.7
499.11340	6.6
517.20953	2.3
542.20056	24.9
543.20660	1.6
559.22693	98.8
560.22943	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	559.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03454	2.4
59.01383	64.5
61.98837	10.0
62.67507	1.6
71.01396	15.6
73.02935	6.5
80.02698	1.9
80.35844	1.4
81.03474	3.0
83.01395	4.6
83.05013	7.5
85.02946	6.6
87.00884	3.9
89.02464	12.0
95.05023	1.5
97.02968	3.2
97.06615	2.4
101.02466	12.3
107.05029	5.5
109.06597	3.1
111.00882	3.7
113.02448	6.6
121.03017	1.5
125.02445	3.1
125.06102	2.6
125.09692	7.0
135.08134	4.3
139.11298	2.1
143.03503	1.5
152.76466	1.7
153.09215	9.1
161.04561	4.8
163.11252	7.1
165.12848	4.2
171.13872	1.9
176.08472	2.1
178.09998	2.3
185.11884	4.5
191.10739	2.3
197.11852	20.9
207.10269	4.4
209.11845	100.0
210.12213	3.7
219.17633	2.3
225.11317	3.6
236.10478	1.8
245.15578	2.3
253.09322	28.3
255.87485	1.7
261.18622	6.5
263.16501	19.4
269.15344	2.5
277.18390	2.5
279.19611	7.3
287.16556	12.7
305.17615	94.2
306.17999	5.5
311.77200	1.6
323.18683	18.0
355.24893	3.0
461.20276	4.6
471.40826	2.0
482.82248	1.6
499.29181	43.1
500.29422	2.5
517.30310	13.8
518.30292	1.8
523.32654	2.5
541.26532	45.5
542.27130	2.1
559.29010	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	559.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
58.00600	1.0
59.01383	100.0
61.98846	1.5
69.19302	1.6
69.19709	2.9
71.01388	33.6
72.99294	0.9
73.02959	2.8
80.96529	1.2
83.01401	1.9
85.02953	6.9
87.00894	1.2
89.02451	42.0
95.01403	2.4
97.02917	0.8
99.00891	1.0
99.53350	0.7
101.02451	19.6
101.03108	1.1
104.26255	0.6
113.02466	15.7
116.81873	0.7
119.03510	17.7
131.03569	3.0
143.03476	4.4
148.00475	2.6
149.04634	2.0
159.02954	0.7
160.01740	1.0
161.04578	11.5
165.00896	0.8
175.04001	2.1
179.05614	23.5
179.07140	1.4
180.03076	0.9
181.03819	0.8
193.05299	0.8
195.05350	1.5
200.03593	5.3
247.08434	1.1
266.37256	0.7
294.39017	0.7
301.20633	0.7
337.23926	1.4
351.03998	1.4
352.04633	1.2
366.06180	7.8
397.15051	1.5
398.08990	1.5
427.14807	1.3
499.29169	38.8
500.29745	1.3
559.21259	2.1
560.14111	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	559.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98854	3.4
66.72279	2.3
69.63986	2.6
76.96666	2.2
78.95908	25.7
95.52459	2.7
98.21804	5.2
100.65308	2.6
151.19881	2.4
152.99591	7.2
154.40482	2.3
168.04277	3.3
171.45695	2.9
224.06976	8.6
232.44273	2.2
277.18713	5.0
277.21744	100.0
278.21909	3.3
474.25919	3.3
500.08542	2.9
502.29422	81.5
503.29755	5.5
536.74951	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	559.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16143	1.5
71.94300	1.7
78.95907	7.8
86.41734	1.7
92.94415	1.7
152.99663	4.1
154.71628	1.6
158.72572	1.5
242.07881	3.2
262.87259	1.6
277.21756	100.0
278.22104	2.5
415.99991	1.6
443.43698	1.7
502.29404	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3262
Annotation	Montanin
Peak:m/z	Relative Intensity
57.03442	22.9
59.01378	62.8
61.98833	21.2
69.19249	16.4
71.01387	30.8
71.76563	2.8
73.02957	12.9
75.00885	3.0
83.01395	3.1
85.02963	10.4
87.00895	4.4
89.02448	27.2
98.22625	6.4
99.00872	6.3
99.04551	6.9
100.53915	2.8
101.02455	22.5
113.02448	18.9
119.03529	6.6
121.03037	6.1
121.06604	83.3
125.02470	4.5
131.03549	4.1
143.03485	4.0
161.04605	15.8
179.05688	7.1
344.78558	3.2
368.95419	3.4
415.16043	47.4
415.26132	2.8
457.17004	14.4
499.29486	13.7
523.34711	24.2
559.20593	5.0
559.32739	100.0
560.33112	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	559.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25090	2.0
57.03451	40.8
59.01384	100.0
61.98836	83.2
71.01392	36.5
71.41541	2.0
73.02953	19.8
75.00846	2.2
81.03467	2.9
82.95406	2.5
83.01387	8.2
85.02979	11.9
87.00883	4.9
89.02451	24.4
93.03473	7.7
95.01403	3.4
97.86914	2.1
99.00918	3.7
99.04519	44.9
101.02448	41.5
109.02972	7.6
111.00878	4.1
113.02448	14.2
114.05605	2.7
118.32013	2.1
119.03523	10.2
121.02980	4.7
123.04565	5.2
123.08254	1.9
125.02455	18.2
135.00928	3.5
143.03499	6.3
149.04588	3.9
161.04568	10.2
171.10185	2.4
173.04584	6.5
174.79623	2.0
177.01965	2.9
179.05623	9.1
191.05614	12.8
193.05064	4.2
203.44008	2.1
205.12265	2.5
209.11726	2.3
214.94257	2.6
215.07124	3.6
251.16095	2.4
255.02954	2.8
267.06558	5.9
295.06168	6.8
326.00787	2.3
337.23050	3.1
397.07516	4.1
397.22470	3.0
415.23651	5.7
499.29013	9.0
517.30096	2.7
521.33282	5.1
523.34882	40.8
559.14130	7.7
559.32794	53.4
560.17163	11.1
560.32446	3.5
575.40295	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	559.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	22.9
59.01378	62.8
61.98833	21.2
69.19249	16.4
71.01387	30.8
71.76563	2.8
73.02957	12.9
75.00885	3.0
83.01395	3.1
85.02963	10.4
87.00895	4.4
89.02448	27.2
98.22625	6.4
99.00872	6.3
99.04551	6.9
100.53915	2.8
101.02455	22.5
113.02448	18.9
119.03529	6.6
121.03037	6.1
121.06604	83.3
125.02470	4.5
131.03549	4.1
143.03485	4.0
161.04605	15.8
179.05688	7.1
344.78558	3.2
368.95419	3.4
415.16043	47.4
415.26132	2.8
457.17004	14.4
499.29486	13.7
523.34711	24.2
559.20593	5.0
559.32739	100.0
560.33112	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25130	0.4
59.01384	3.5
61.98841	2.2
63.76553	0.4
71.01389	0.8
71.42342	0.5
73.02924	0.5
80.96535	0.4
85.02971	0.6
88.98818	2.5
89.02441	0.9
93.03528	0.4
96.96031	1.7
101.02448	0.8
111.00895	1.4
113.02440	0.7
121.97414	0.4
122.02486	1.9
125.06094	0.9
134.02525	2.6
135.00903	1.0
143.07132	1.7
149.06023	0.4
150.01985	8.3
161.04623	0.8
182.04587	3.1
186.05573	2.3
212.03453	0.6
213.04333	1.2
214.05092	4.5
224.03612	0.8
225.04298	2.4
241.00233	1.5
241.03853	8.6
242.04599	38.3
243.02734	0.7
243.04947	1.1
258.98053	0.4
284.01996	1.0
286.03586	100.0
287.03918	4.0
316.04651	1.6
318.06195	67.9
319.06458	3.3
360.07373	0.6
398.01938	1.1
478.10919	0.5
480.11658	4.6
524.97296	0.4
560.07172	27.7
561.07385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89959	0.6
58.06287	0.6
59.01379	2.9
60.99324	0.8
61.98826	2.0
65.30151	0.7
65.58347	0.6
71.01402	0.9
71.40961	1.0
73.02937	1.0
77.98917	0.7
85.02959	1.0
88.98818	3.9
89.02473	1.6
91.06492	0.6
92.11496	0.7
96.96014	1.7
111.00893	1.8
118.96001	0.7
122.02522	2.7
134.02484	3.2
135.04460	0.7
143.07137	1.4
149.04494	0.9
150.01974	10.3
151.88391	0.6
182.04575	2.0
186.05638	2.0
213.04248	1.5
214.05148	5.3
216.08928	0.7
225.04312	2.7
228.24821	0.7
240.03142	0.9
241.00287	1.5
241.03802	10.2
242.04599	39.9
243.05006	1.1
244.60811	0.7
258.04129	0.9
274.39758	0.6
284.01950	1.4
286.03592	100.0
287.04010	4.7
316.04654	2.5
318.06198	75.9
319.06567	2.6
360.07129	0.9
398.01920	1.3
480.11703	4.4
480.17465	0.7
560.07190	29.1
561.07623	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	560.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11826	0.4
59.01383	4.0
59.31016	0.4
61.98828	1.4
69.32349	1.9
71.01390	1.8
72.76580	0.4
73.02961	0.5
80.96553	0.7
83.25922	0.4
85.02949	0.8
89.02444	2.8
91.29785	0.4
93.11339	0.5
96.96014	0.4
101.02444	1.3
107.26217	0.5
110.97547	0.5
111.00904	1.7
113.02528	0.5
122.02518	2.7
131.03572	0.7
134.02527	1.5
135.00906	0.4
142.25452	0.4
149.04605	2.2
150.01979	11.3
151.02403	0.6
160.04111	1.7
166.01450	0.6
175.03914	0.4
181.03804	1.2
182.04582	6.2
186.05650	1.4
191.05542	0.7
192.13107	0.4
196.04065	0.5
198.05647	0.5
200.03566	1.9
211.51173	0.5
212.03526	0.9
213.04337	1.0
214.05107	3.6
224.03712	0.5
225.04297	1.4
240.03035	1.3
241.03806	11.2
242.04607	35.4
243.02895	0.8
243.05016	0.6
257.03387	0.8
285.02774	2.0
286.03595	100.0
287.04007	3.2
307.27921	0.4
318.06201	25.9
319.06482	1.1
344.09872	0.9
366.06476	0.4
398.08679	0.7
448.08902	2.4
478.10342	0.6
480.11496	67.9
481.11856	3.5
517.22626	0.8
560.07147	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	560.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49518	0.3
57.03500	0.3
59.01386	3.9
60.46950	0.2
61.98837	100.0
71.01385	1.5
73.02952	0.5
82.95440	0.4
85.02991	0.6
89.02462	1.2
99.04542	0.2
101.02452	1.5
113.02477	0.7
117.03458	0.4
117.41100	0.3
121.02995	1.1
145.03014	0.8
149.04567	0.4
150.09305	0.6
160.01732	0.3
160.99704	0.3
162.84125	0.3
175.04077	0.4
175.63713	0.2
201.69646	0.3
335.22562	0.3
336.22699	0.5
337.22949	0.4
338.23520	0.4
429.24973	0.5
524.35675	0.4
560.32684	0.7
561.29004	0.5
579.80200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
64.05065	0.4
69.33992	2.1
95.51150	0.4
98.21896	0.8
103.66898	0.4
153.15488	0.4
166.48422	0.4
241.03833	0.4
284.50043	0.4
376.21707	0.6
378.19214	2.5
390.19513	0.6
404.21158	0.6
432.20279	8.7
450.21255	3.1
500.25235	0.7
560.27545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35226	1.3
56.23384	1.3
59.01369	3.2
69.62563	1.4
69.93816	4.9
71.01415	1.7
75.37485	1.4
89.02489	2.7
98.21873	1.6
101.02423	2.0
133.24640	1.6
235.08398	1.8
250.91682	1.5
253.09294	10.4
281.24887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
59.01386	7.8
61.54073	0.9
67.01893	2.9
69.86423	0.9
71.01389	5.2
83.01408	2.9
85.02958	5.0
89.02434	2.9
98.22632	1.6
101.02464	4.5
102.55522	0.8
111.00897	50.4
112.68754	0.8
113.02464	3.1
132.02196	11.0
133.02985	2.9
134.03758	11.4
135.04572	1.0
149.06157	1.4
154.99896	12.2
160.01680	58.6
161.02077	1.5
175.04024	85.5
176.04349	1.3
193.05081	13.3
286.03378	1.1
287.03970	1.8
329.12708	1.0
384.11008	1.2
399.13000	100.0
400.13232	3.2
481.11926	1.1
561.18121	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	561.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18105	0.9
56.74259	1.1
57.78693	0.9
59.01384	8.6
61.98831	1.3
71.01379	7.5
71.41544	0.9
73.02949	2.3
75.00887	0.8
83.01393	1.4
85.02967	6.4
89.02444	3.2
96.96023	0.9
101.02457	7.3
109.02983	0.8
109.50819	0.9
111.00900	13.5
113.02454	2.9
115.00358	1.0
121.02984	1.9
129.01970	1.5
131.03378	0.8
132.02182	9.7
133.02972	3.6
134.03745	14.1
137.02452	2.1
149.04642	0.9
149.06094	1.9
160.01677	68.6
161.02132	1.2
175.04022	88.7
176.04395	1.8
178.02722	1.1
179.03546	0.9
181.01398	1.4
191.05716	0.9
193.05074	13.2
240.04439	0.8
341.11032	2.0
371.60342	1.0
384.10922	1.0
397.68451	0.9
399.12982	100.0
400.13229	3.7
427.37009	0.9
561.19604	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.39233	0.5
59.01384	16.6
61.98821	2.4
71.01387	7.1
71.45201	1.0
73.02947	2.5
78.95904	1.1
81.03464	10.6
83.01411	0.8
85.02978	2.3
87.00882	1.6
88.98814	7.3
89.02452	9.5
96.96014	10.1
96.96967	1.7
99.04523	50.4
101.02460	5.3
108.38798	0.6
111.00894	3.4
113.02454	2.9
119.03503	1.3
119.74633	0.6
121.02969	1.4
125.02405	1.5
131.03502	2.8
134.03726	0.8
148.05328	11.5
149.04561	6.6
161.04630	1.0
166.06367	3.3
174.01930	1.1
181.08699	4.8
191.05611	1.9
193.05222	0.9
248.10550	18.6
256.40674	0.6
259.67346	0.6
263.12897	100.0
264.13229	3.1
337.16653	1.6
519.24292	1.3
561.26050	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	561.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03458	1.4
57.92669	0.5
58.00595	1.3
59.01385	100.0
60.01728	0.7
61.98840	1.6
69.17048	3.7
71.01389	56.2
72.99298	0.8
73.02955	11.5
74.45753	0.6
83.01406	1.8
83.50907	0.6
85.02958	8.2
86.00119	0.8
87.00890	4.0
89.02456	94.9
97.02927	1.0
99.00929	0.9
101.02454	42.2
111.00920	1.4
113.02459	10.6
114.05592	0.6
119.03526	7.0
121.06618	0.7
124.40215	0.5
125.02482	1.4
131.03517	31.9
137.09729	2.2
143.03468	1.6
149.04570	93.0
150.04878	1.3
156.66618	0.6
161.04581	2.0
182.54016	0.7
191.05634	15.1
210.91356	0.6
239.28543	0.6
273.66650	0.7
281.08884	0.9
293.08704	0.8
311.09784	2.5
369.18805	0.7
501.23526	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03457	11.0
58.00590	2.0
59.01382	100.0
61.98835	1.9
69.03465	4.1
69.17037	10.8
71.01387	79.2
73.02957	9.8
78.01414	1.9
81.03486	2.6
83.01404	3.2
85.02962	12.9
87.00912	2.9
89.02451	97.8
97.02956	7.5
101.02454	22.0
111.00904	6.0
112.10111	1.8
113.02446	9.8
125.02454	26.0
131.03516	28.0
137.09732	3.3
143.03471	3.1
149.04573	36.1
169.72681	1.9
191.05672	12.3
192.11613	5.1
193.05096	3.0
207.13922	20.2
208.21086	1.9
233.06671	3.3
240.93617	2.1
293.08841	42.9
336.28207	1.7
501.23462	4.2
501.30182	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	561.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	79.0
61.03052	2.1
68.71428	1.8
69.20139	3.9
69.20542	7.4
71.01388	50.6
73.02950	19.0
78.40626	2.0
85.02956	7.2
86.66422	1.7
89.02452	100.0
99.00893	22.9
101.02447	41.7
102.24828	1.9
113.02441	7.7
118.95947	1.9
119.03532	4.0
120.40611	1.9
125.02406	2.0
131.03523	19.7
143.03534	3.5
147.33990	1.9
149.04570	84.5
161.04578	2.6
191.05624	16.6
221.06708	6.5
251.07733	5.0
293.08768	3.1
311.09839	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03453	2.2
58.00581	1.6
59.01386	100.0
60.99301	1.9
61.98827	5.7
69.28474	7.7
71.01390	57.3
72.99313	2.5
73.02959	14.0
78.95898	2.9
79.95755	1.9
82.95405	2.5
83.01385	3.0
83.12259	1.5
85.02959	7.4
87.00879	4.9
88.98819	25.8
89.02454	85.6
95.01398	2.1
96.96024	32.6
96.96984	3.9
99.04543	7.8
101.02454	49.4
111.00917	6.9
113.02459	13.6
119.03543	6.6
125.02450	3.3
131.03529	31.2
134.03712	3.9
143.03548	1.6
148.05469	1.4
149.04576	96.5
160.01692	3.5
161.02403	1.4
161.04582	3.7
165.63312	1.3
175.04018	6.0
191.05635	19.7
193.05119	2.8
230.15727	1.8
251.07668	2.4
259.01227	2.0
263.12918	9.2
289.02264	1.7
293.08804	3.1
309.63205	1.4
311.09781	3.3
399.12622	1.9
501.23825	2.2
561.25641	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	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30859	0.8
55.01899	1.6
57.03442	2.2
59.01081	1.3
59.01382	24.0
61.74500	0.6
61.98829	4.5
64.02133	0.6
64.50916	0.8
69.11073	5.0
71.01383	15.7
71.05036	2.3
73.02940	3.5
80.02670	0.8
81.03455	1.7
83.01395	2.0
83.05023	5.0
84.02167	1.5
85.02955	5.6
87.00887	1.9
89.02451	12.2
93.03452	1.0
95.01393	1.4
95.05033	2.4
97.02966	1.2
97.06593	1.9
99.04536	3.0
99.08167	1.1
101.02453	11.3
109.02969	1.3
111.08169	0.8
112.05320	2.6
113.02470	5.4
115.07637	2.1
119.03502	2.7
121.02972	1.6
125.02432	1.2
125.09751	5.5
127.07679	4.6
127.08484	1.0
131.03514	1.3
135.08177	2.9
139.07701	0.9
149.04587	1.6
153.09229	27.2
154.09584	1.2
155.10768	2.0
161.04561	4.5
163.11337	5.1
165.12840	1.4
171.10277	37.1
172.10718	0.9
178.10060	4.1
179.05534	1.7
185.11867	7.3
191.10776	2.0
191.14447	1.1
193.05006	0.7
193.06653	1.4
197.11833	8.1
207.10184	1.0
209.11839	71.2
210.11998	1.4
211.13234	0.8
235.08218	1.3
238.12151	1.7
239.16585	1.1
245.19145	2.4
253.09294	29.3
254.09587	0.8
256.13199	0.9
263.20282	1.1
265.17996	0.9
279.19666	1.9
289.18091	11.0
290.18524	0.9
293.08893	2.1
297.20746	3.1
307.19165	100.0
308.19458	3.5
325.20230	47.0
326.20657	1.4
381.22824	0.8
407.19363	0.9
424.39435	0.8
474.21213	3.7
501.30405	1.0
519.31439	0.9
543.28156	26.9
544.28662	1.9
561.18323	1.9
561.29083	13.5
562.29346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.06269	0.7
57.03462	5.3
59.01386	33.5
61.98840	11.2
69.03487	1.1
71.01388	15.3
71.05019	1.7
71.41628	0.8
72.99304	0.6
73.02950	5.7
80.02687	2.2
81.03444	1.5
82.95461	1.4
83.01379	2.1
83.05038	4.1
84.02180	0.8
85.02967	5.8
87.00888	2.2
89.02455	11.9
95.01418	1.7
95.05061	2.1
97.06593	1.9
99.00891	1.0
99.04536	7.0
99.08171	1.0
101.02454	12.2
106.04272	0.8
107.05069	0.7
109.02952	0.6
109.06589	1.4
112.05315	1.9
113.02457	7.6
115.07679	2.0
119.03467	3.5
124.05305	0.7
125.02468	3.3
125.06065	0.8
125.09729	5.9
127.07679	5.0
130.97945	0.6
131.03499	0.9
134.03769	1.2
135.04543	0.9
135.08165	4.0
137.09685	1.2
138.06912	0.9
139.07640	1.5
143.03493	1.7
149.04565	2.0
153.09229	28.3
155.10820	3.2
160.01669	3.5
161.04611	5.0
161.13422	0.7
163.11378	3.8
165.09322	0.7
165.12851	2.6
168.41159	0.9
171.10287	41.5
172.10638	1.1
175.04012	3.2
178.10014	3.6
179.05676	2.8
179.10774	1.0
181.12416	0.9
183.13948	0.8
185.11838	6.1
188.90311	0.7
191.10823	2.1
191.14510	1.1
193.05098	1.4
197.11845	9.2
207.10191	0.7
209.11845	73.3
210.12199	1.6
211.13481	1.2
214.15392	0.7
227.12753	0.9
237.15050	1.1
238.12112	2.4
239.16585	1.7
245.19119	2.9
251.16479	1.1
253.09311	35.3
255.32759	0.7
263.20212	1.1
265.18185	0.9
279.19815	1.8
289.18149	13.8
290.18484	1.0
297.20798	2.0
307.19171	100.0
308.19647	2.2
325.20224	56.0
326.20508	1.7
337.09198	1.1
353.67154	0.7
364.50116	0.8
407.19571	1.1
412.28891	0.8
417.25009	1.1
474.21100	2.9
501.30850	2.7
519.31909	1.6
543.19897	1.5
543.28174	26.7
544.28937	1.4
547.87689	0.9
558.51331	1.0
561.29047	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	561.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24506	1.7
61.98807	3.3
67.40968	1.9
68.60948	1.8
70.63428	3.1
74.19463	1.9
78.95896	3.7
101.47483	1.9
152.99583	2.6
265.19995	2.0
279.23306	100.0
280.23474	3.0
449.61945	1.9
460.87457	2.0
504.31113	29.2
534.34784	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	561.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34460	3.2
59.01384	6.2
69.22444	9.7
69.22850	10.5
78.95905	23.6
89.84601	3.4
119.72920	3.7
147.09157	3.6
152.99600	7.8
204.05521	3.8
224.06920	11.6
253.31718	3.9
265.21765	11.7
279.23312	100.0
297.17426	4.6
346.47388	3.7
504.31027	73.6
505.31464	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	562.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37741	0.2
51.77065	0.2
52.14703	0.2
53.19533	0.2
53.60159	0.2
59.01385	0.6
61.98835	100.0
63.50660	0.2
67.95676	0.2
69.26791	1.0
84.93062	0.3
87.00887	0.3
114.20354	0.2
206.16553	0.3
207.64546	0.2
264.16962	0.3
293.37387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68226	1.6
57.03446	1.5
58.00616	1.5
59.01384	43.7
69.03462	1.6
69.09677	11.3
69.10011	1.5
71.01388	39.1
73.02950	7.1
77.58708	1.4
85.02975	7.7
87.00851	3.1
89.02454	42.1
89.03019	2.4
97.02925	2.7
99.00899	3.2
101.02451	19.8
111.00872	5.9
113.02442	9.4
117.81814	1.7
119.03518	3.6
123.08155	11.0
125.02434	5.9
130.32933	1.4
131.03535	14.5
137.09723	1.9
143.03436	3.0
143.73056	1.6
149.04568	23.4
151.48651	1.6
161.04575	4.4
163.11263	10.2
168.19305	1.9
182.55811	1.6
189.12881	17.6
191.05672	5.6
207.13930	19.3
225.15025	3.9
233.06676	3.2
260.77652	1.6
268.82373	1.6
293.08856	11.9
387.20300	7.7
519.24500	100.0
520.24774	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	562.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
55.36367	1.8
57.03451	3.8
59.01385	94.5
60.01717	2.3
61.98833	27.5
62.25489	2.0
65.83797	1.6
69.03455	2.4
69.44902	8.6
71.01386	83.6
72.01727	2.4
72.99314	3.5
73.02952	23.5
75.00898	1.9
80.39370	1.7
83.01378	13.5
84.32628	1.7
85.02956	27.8
87.00882	4.7
89.02451	72.3
90.02805	2.7
94.65174	1.7
95.01387	2.3
96.96049	2.6
97.02950	2.9
98.21889	3.0
99.00868	8.9
101.02452	63.6
111.00897	9.8
113.02460	24.9
113.10039	1.8
119.03503	7.9
119.05027	3.0
121.02959	2.9
125.02441	4.4
128.03529	3.1
129.01965	2.3
131.03523	25.7
131.19080	1.7
134.00160	1.9
136.01721	1.9
141.01892	2.1
143.03531	5.2
149.04555	46.5
150.04906	7.0
151.04008	2.9
159.03029	1.9
161.04564	13.7
175.04019	2.6
179.05536	2.7
191.05656	10.4
192.05949	2.0
194.73756	1.9
209.15524	2.4
222.43636	1.9
233.06691	3.4
251.07910	1.8
261.07907	1.8
296.75052	1.8
357.13654	2.9
371.20660	14.8
373.22299	19.4
408.06799	1.8
430.28107	7.7
502.23779	2.4
503.25055	100.0
519.20813	3.2
519.28156	49.2
520.28302	2.1
546.48730	1.7
562.33173	13.8
563.26642	14.5
583.16833	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	563.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.0
62.16821	0.6
64.15997	0.7
71.01401	4.3
73.02957	1.4
73.32587	0.6
79.01906	0.7
85.02982	0.9
88.39579	0.6
89.02452	2.9
93.03477	1.5
98.21815	1.7
99.35482	0.6
101.02445	2.4
108.40094	0.7
117.03489	4.1
120.14136	0.7
121.02975	0.9
123.48489	0.8
131.03516	0.9
135.04515	1.9
147.04486	0.9
149.02454	1.2
149.04552	2.6
161.02477	2.4
163.04001	1.4
175.04047	1.7
177.05524	1.3
189.01929	0.7
191.03548	2.3
221.04514	1.1
270.02667	0.9
282.05338	1.6
283.06064	4.0
295.06134	4.2
296.06931	4.6
297.07712	17.2
307.06235	2.5
309.07697	2.1
311.05679	4.2
323.05646	3.6
324.06229	1.3
325.07169	9.6
328.06067	1.6
335.05496	1.8
337.07266	3.8
351.05161	1.2
353.06677	40.9
354.06827	2.0
355.08173	1.5
356.05414	0.9
365.06738	6.6
366.06647	0.8
377.07330	0.8
383.02786	1.4
383.07739	28.1
384.07895	1.1
395.07535	3.2
413.08823	4.1
425.08759	2.0
443.09848	11.5
473.10971	8.5
485.11252	0.7
503.12503	1.3
545.12994	0.8
563.14081	100.0
564.14545	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	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35860	0.5
59.01382	6.0
69.20556	2.7
70.35187	0.4
71.01383	3.9
73.02946	0.8
78.13705	0.4
79.01909	0.7
83.01397	0.7
85.02956	1.8
89.02450	3.3
91.05577	0.4
93.03465	1.1
97.02979	0.5
98.22612	0.9
99.00896	0.9
101.02446	1.7
107.05106	0.4
111.00925	0.5
113.02452	0.8
113.66789	0.4
117.03474	3.8
119.03513	0.5
119.05075	0.8
121.02960	0.8
125.02449	0.7
131.03516	0.8
135.04515	2.0
145.02997	0.7
149.02417	0.9
149.04549	1.3
161.02481	1.9
163.04056	0.7
173.02348	0.7
175.02615	0.6
175.04022	1.6
177.01941	0.5
177.05591	1.0
179.03497	1.1
179.27208	0.5
189.02008	0.8
189.05701	0.8
191.03535	1.3
191.05592	0.6
203.03563	1.3
233.04474	1.0
233.06589	0.5
237.05563	0.7
238.06323	0.7
239.06987	0.5
251.07327	0.6
253.08607	0.6
267.06454	0.9
268.07462	0.7
269.04489	0.5
279.06708	0.6
281.04581	0.7
282.05362	1.8
283.06259	2.7
286.03455	0.6
293.08691	0.5
293.63336	0.4
295.06226	4.8
296.06894	3.1
297.07693	16.8
307.06058	1.6
307.73996	0.5
309.07617	1.2
310.74841	0.5
311.05759	3.6
319.06613	0.7
323.05701	3.1
324.06372	1.6
325.07220	7.2
328.05856	1.4
335.05579	1.4
337.07187	2.0
341.06766	0.7
353.06683	29.6
354.07095	1.2
355.08063	1.1
365.06696	4.8
383.07761	17.1
384.08032	0.6
395.08163	2.2
413.08969	2.2
425.08893	1.1
443.09821	10.2
444.10114	0.8
455.09369	0.7
473.10867	6.2
520.25098	0.6
521.26038	2.0
545.12976	1.2
563.14081	100.0
564.14337	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	563.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63859	0.3
59.01391	5.0
59.98257	0.4
61.98841	0.9
63.02430	0.6
63.97387	0.4
69.70390	1.2
71.01380	2.5
73.02960	0.7
83.01411	0.7
85.02961	0.5
89.02469	2.8
93.03469	0.7
96.96008	0.6
98.22603	0.4
98.95475	0.4
99.00918	0.6
101.02449	1.2
107.01391	0.9
113.02464	0.5
117.03481	1.4
123.23147	0.3
136.21019	0.4
149.04547	1.3
151.00389	1.9
153.01883	0.4
155.05046	0.6
157.79172	0.4
159.04524	0.7
161.57735	0.4
167.05038	0.4
169.06653	1.1
173.02411	0.6
175.00404	0.4
183.04558	3.0
184.05011	0.4
185.02493	0.5
185.06023	0.8
187.03992	0.7
211.04066	2.0
213.05618	1.1
214.02834	0.6
227.03511	3.6
229.04984	0.6
239.03391	0.9
255.03006	45.1
256.03333	2.1
257.04562	1.3
283.02509	100.0
284.03033	6.0
285.04074	36.8
286.04437	1.2
293.04596	3.6
297.07886	0.5
297.64325	0.5
298.04816	1.2
309.03986	0.4
328.32040	0.4
353.06827	0.6
383.07837	0.6
413.08655	1.6
413.13538	0.4
417.08322	5.9
430.09100	28.1
431.09808	28.8
432.10107	1.3
443.10245	0.5
451.51257	0.4
473.10660	0.9
563.14111	52.0
564.14166	3.5
566.38428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03447	1.8
58.92918	0.9
59.01374	4.3
68.99834	1.3
69.64165	3.9
71.01389	7.2
72.99287	1.1
73.02948	5.8
81.03465	1.3
83.01385	2.8
85.02945	5.0
87.00881	30.2
87.01392	2.1
89.57889	1.1
95.01373	4.6
96.96031	1.4
98.22572	2.0
99.00879	10.4
101.02468	3.6
111.00889	7.7
112.98792	7.4
113.02449	1.2
123.00867	7.6
129.01947	4.0
131.03476	1.3
133.05089	1.1
135.04608	1.1
138.03238	7.1
142.99883	6.4
145.01428	2.4
147.04553	1.2
149.02501	1.3
151.00349	1.4
152.91737	3.4
153.05609	7.1
161.02505	7.3
163.04056	8.3
164.04822	6.5
166.02693	5.8
173.00923	37.2
173.02257	1.4
174.01765	9.7
174.03220	1.7
175.04030	3.5
176.04774	8.5
177.01947	1.5
177.05658	1.1
178.05014	2.6
178.06371	10.4
179.03522	11.2
179.05040	1.2
179.05644	1.7
179.07106	10.5
181.05119	6.7
187.03935	1.1
189.05598	1.7
190.02736	2.9
190.06438	1.4
191.03558	8.9
191.05237	1.3
191.07124	5.8
192.04236	1.2
193.04965	1.0
193.08701	14.5
193.10341	1.4
194.05841	14.9
194.92926	1.2
201.02075	1.3
203.03465	4.7
203.07170	1.1
205.05055	3.8
206.05853	8.2
207.06616	2.3
209.08195	22.8
218.05879	2.2
219.02956	4.0
221.04668	1.0
221.08165	9.6
229.01552	1.3
233.04695	1.3
233.08134	2.1
234.05383	4.8
235.06282	1.3
237.07715	1.4
246.59810	1.0
247.02495	9.5
247.06210	1.7
249.07646	9.7
251.09436	1.0
261.04022	3.6
262.04852	13.9
264.06445	1.5
265.07202	14.9
276.06458	5.8
277.07190	36.5
279.08774	1.2
291.08801	3.0
295.08273	2.8
298.97922	1.0
309.09998	1.2
325.09277	2.6
335.06210	1.5
337.09305	43.7
338.09683	2.2
365.14392	1.3
383.09848	4.9
399.71387	1.3
419.01956	1.7
427.12698	3.4
429.39905	1.3
439.12317	2.2
563.16174	100.0
564.16339	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	563.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	82.0
59.01387	73.8
60.51363	1.3
61.74687	1.2
61.98856	6.5
65.36236	1.4
71.01394	10.7
72.15875	1.2
73.02962	4.3
83.01392	7.8
85.02963	4.0
89.02463	3.8
96.96034	4.4
98.22682	3.5
99.04528	81.0
100.02704	1.3
101.02457	32.6
104.38969	1.3
104.68301	1.3
111.00924	1.9
113.02464	4.6
125.02464	27.4
134.44092	1.4
143.03531	5.6
161.04570	5.8
210.32773	1.2
221.10330	30.4
263.11356	15.1
303.14584	7.0
305.12393	3.1
365.14545	100.0
366.14838	2.8
399.13077	1.5
563.17633	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	563.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03436	2.2
59.01383	100.0
70.67581	1.3
71.01386	65.1
71.41557	2.4
72.99317	2.3
73.02942	12.0
74.83994	1.4
75.00886	2.2
76.80817	1.3
83.01382	4.0
85.02963	22.2
87.00892	5.0
89.02455	61.2
94.57291	1.6
95.01417	3.7
96.96039	2.5
97.02946	3.4
99.00881	3.9
101.02451	42.4
111.00903	6.8
113.02453	25.4
119.03498	26.4
121.02979	2.6
125.02448	4.1
125.03751	1.4
129.01933	3.6
131.03520	5.4
138.01999	4.1
143.03459	7.4
149.04568	5.2
159.03094	1.6
161.04604	11.7
166.06386	4.3
175.04001	2.0
176.04425	1.7
177.60493	1.6
179.05687	15.8
179.22882	1.5
181.08722	2.6
215.05650	2.8
233.06682	1.6
238.80414	1.5
260.36453	1.6
269.10272	8.2
280.07202	1.8
293.08948	2.5
383.13553	3.1
401.14426	30.1
563.19928	54.4
564.20374	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	563.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	1.7
70.02434	2.2
70.02763	2.3
70.57394	0.9
85.97438	1.0
88.21964	1.0
93.02242	1.3
105.02203	1.9
117.02152	1.0
120.00898	3.3
121.01713	49.5
122.02477	4.3
129.47289	1.1
133.01721	1.3
133.85236	1.2
137.04863	7.2
139.12819	1.0
148.00410	3.2
149.01199	87.6
150.01938	4.0
151.02754	2.5
152.07207	5.6
162.01979	1.7
175.99965	2.4
177.00691	87.2
178.01398	3.1
178.05135	3.9
180.02985	6.6
191.01030	3.6
191.99400	8.3
192.01755	4.9
193.02516	2.9
204.01740	2.4
207.01744	9.6
207.03882	1.6
222.04102	8.6
279.05402	2.3
281.06775	1.2
293.06955	2.1
294.07736	10.6
296.09329	4.2
306.07419	1.2
308.09210	1.5
309.10132	5.9
311.11710	3.0
324.12283	3.9
326.14014	4.8
405.60953	1.0
405.80930	1.2
428.07880	1.4
443.09964	2.1
473.14731	4.2
496.28967	1.2
501.12589	2.4
508.35297	1.2
516.15485	16.7
517.15344	1.8
531.17731	6.2
548.18158	8.3
563.20386	100.0
564.20996	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	563.2502
Annotation	Taxuyunnanine K
Peak:m/z	Relative Intensity
57.03459	1.6
59.01380	6.0
60.06130	1.2
61.98827	7.1
67.53692	1.4
69.27406	2.3
69.27804	6.3
71.01389	2.6
74.83469	1.5
83.01406	1.5
85.02958	1.9
87.00889	40.2
93.03481	1.5
96.95985	1.9
103.89436	1.3
108.02108	1.4
113.08648	1.3
115.00377	1.7
121.02996	2.1
122.03743	4.5
123.04533	4.6
130.99852	3.5
131.14685	1.5
135.04539	4.9
135.08177	4.0
136.05312	16.4
138.03146	1.4
147.04507	1.4
148.05302	1.8
149.06125	4.5
150.03239	3.9
153.09242	2.5
160.41763	1.4
162.06860	7.3
163.04028	4.8
164.04837	2.0
173.04564	2.0
173.05983	2.2
174.03247	1.5
175.07651	2.3
176.04810	2.8
191.05612	8.6
191.07201	3.6
192.08011	2.0
194.05832	1.6
215.07034	2.6
219.06673	1.7
233.08136	1.8
255.05235	1.9
259.13397	5.3
261.15012	8.3
277.14386	2.4
285.15027	1.9
287.16519	3.2
291.19711	5.3
297.33371	1.7
315.15579	1.5
333.85638	1.3
395.22256	2.5
413.23425	9.7
431.24396	14.8
439.24612	2.8
441.22797	1.4
457.25800	6.4
459.23862	5.7
473.25674	3.8
501.25269	4.3
503.23251	8.2
527.22968	5.5
545.24115	2.9
551.77325	2.1
556.74249	1.7
563.25055	100.0
564.25555	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49646	1.0
58.29250	0.9
59.01382	7.6
61.98834	10.5
67.01894	1.0
67.38002	1.0
69.03452	1.0
71.01386	5.2
73.02948	1.2
83.05014	1.2
85.02956	4.0
87.00887	30.4
89.02460	2.2
89.54805	1.0
93.03439	5.2
101.02453	3.2
111.04503	1.8
115.00369	1.3
121.03010	1.2
122.03730	3.7
123.04539	3.0
125.09681	1.3
130.99884	5.7
135.04544	1.7
136.05312	2.0
137.52458	1.3
143.03369	1.0
146.03763	12.3
147.04547	8.5
149.06033	1.3
159.04514	3.8
160.05269	1.8
161.06061	1.6
162.06888	4.2
163.03929	1.3
165.05573	1.5
171.10312	2.9
172.05298	4.3
173.04581	2.5
173.06071	5.2
174.03201	5.0
174.06831	1.6
175.03934	2.9
175.07614	1.4
186.06865	1.3
187.07642	3.1
188.04778	3.6
189.05547	2.8
191.05659	12.1
191.07173	2.2
191.15315	1.1
199.07715	1.3
200.04634	1.3
201.05576	1.5
201.09285	1.9
201.11203	1.5
213.11169	1.3
214.06470	1.2
215.07130	3.0
215.10754	4.3
215.12904	11.6
216.04277	2.1
231.13870	2.4
241.12430	2.3
243.10167	3.0
243.13878	1.5
254.04410	3.0
257.11917	1.5
259.13348	1.3
261.15100	1.4
271.13425	6.2
285.14798	1.5
287.12900	2.3
287.16388	2.2
289.14304	2.7
291.19360	1.2
291.52115	1.1
317.13974	2.3
329.14163	1.2
395.22229	1.5
413.23190	4.1
423.21509	1.3
431.24475	9.3
441.22754	4.8
457.26099	3.2
459.23785	3.6
473.25531	2.1
483.23257	1.2
485.21933	1.8
501.25180	3.1
503.22800	5.1
527.23071	3.7
545.20618	4.5
563.24988	100.0
563.32056	5.3
564.25482	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	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49646	1.0
58.29250	0.9
59.01382	7.6
61.98834	10.5
67.01894	1.0
67.38002	1.0
69.03452	1.0
71.01386	5.2
73.02948	1.2
83.05014	1.2
85.02956	4.0
87.00887	30.4
89.02460	2.2
89.54805	1.0
93.03439	5.2
101.02453	3.2
111.04503	1.8
115.00369	1.3
121.03010	1.2
122.03730	3.7
123.04539	3.0
125.09681	1.3
130.99884	5.7
135.04544	1.7
136.05312	2.0
137.52458	1.3
143.03369	1.0
146.03763	12.3
147.04547	8.5
149.06033	1.3
159.04514	3.8
160.05269	1.8
161.06061	1.6
162.06888	4.2
163.03929	1.3
165.05573	1.5
171.10312	2.9
172.05298	4.3
173.04581	2.5
173.06071	5.2
174.03201	5.0
174.06831	1.6
175.03934	2.9
175.07614	1.4
186.06865	1.3
187.07642	3.1
188.04778	3.6
189.05547	2.8
191.05659	12.1
191.07173	2.2
191.15315	1.1
199.07715	1.3
200.04634	1.3
201.05576	1.5
201.09285	1.9
201.11203	1.5
213.11169	1.3
214.06470	1.2
215.07130	3.0
215.10754	4.3
215.12904	11.6
216.04277	2.1
231.13870	2.4
241.12430	2.3
243.10167	3.0
243.13878	1.5
254.04410	3.0
257.11917	1.5
259.13348	1.3
261.15100	1.4
271.13425	6.2
285.14798	1.5
287.12900	2.3
287.16388	2.2
289.14304	2.7
291.19360	1.2
291.52115	1.1
317.13974	2.3
329.14163	1.2
395.22229	1.5
413.23190	4.1
423.21509	1.3
431.24475	9.3
441.22754	4.8
457.26099	3.2
459.23785	3.6
473.25531	2.1
483.23257	1.2
485.21933	1.8
501.25180	3.1
503.22800	5.1
527.23071	3.7
545.20618	4.5
563.24988	100.0
563.32056	5.3
564.25482	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	563.25
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.3
61.98834	8.3
67.01888	1.7
71.01396	6.7
72.02170	1.6
72.99301	1.3
73.02912	1.6
73.43617	1.1
81.03461	1.2
85.02935	4.1
87.00885	62.9
89.02447	1.3
93.03461	7.1
98.21872	2.3
99.04535	1.4
101.02470	3.0
113.02468	1.7
121.02908	1.9
122.03745	4.1
123.04533	7.6
130.04175	1.6
130.99881	19.7
135.04517	2.6
136.05280	2.7
141.09280	2.0
142.91205	1.1
146.03778	5.3
147.04517	3.1
148.05371	2.2
149.06091	3.2
153.09236	1.1
159.04503	5.1
160.05327	1.9
161.06111	2.1
162.06903	1.3
163.04005	2.1
165.05606	4.6
172.05220	1.9
173.04538	3.8
173.06094	3.6
174.03217	3.2
174.06862	2.5
175.04012	2.2
175.07544	1.3
186.06839	2.3
187.07663	2.2
188.04811	2.5
191.05647	20.4
193.05098	1.8
199.07700	1.6
201.05632	1.3
203.07285	1.2
215.07155	4.4
219.06670	1.5
233.08218	1.3
253.03534	4.0
254.04353	11.1
255.04880	2.7
256.07492	2.6
259.13428	2.3
261.14859	2.0
271.13409	13.8
277.14529	1.8
283.13321	2.8
285.15002	1.9
287.16599	3.6
288.13821	1.9
289.14438	11.3
291.19724	4.2
297.15012	3.9
299.12979	2.1
299.16431	1.9
301.14523	2.7
313.14392	2.0
313.17609	1.3
315.16122	3.8
317.14014	6.2
317.17114	1.3
331.15512	2.0
343.15674	1.4
345.24124	1.2
359.15045	1.3
361.16681	2.3
375.19830	1.2
395.22220	2.9
413.23386	4.8
431.24304	11.8
441.22760	4.8
457.25955	2.2
459.24002	2.6
461.11554	1.4
465.23236	1.5
473.25525	4.0
483.23843	2.2
485.22275	2.0
501.24515	2.2
503.23257	8.0
527.23138	2.8
545.19647	6.7
563.25024	100.0
563.33093	6.0
564.25421	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	563.2636
Annotation	Morinol B
Peak:m/z	Relative Intensity
50.06423	11.6
59.01352	15.7
61.98842	20.9
66.44951	13.0
69.11082	25.6
69.11489	61.2
69.46962	10.5
74.51548	15.3
78.99068	10.5
85.92387	10.8
87.00880	49.5
98.21912	36.9
122.03742	16.0
130.99828	12.5
147.04523	19.2
291.19788	88.1
308.72659	11.4
327.21582	18.8
430.93668	12.4
481.50925	13.2
563.25604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03452	4.2
58.00603	1.6
59.01384	74.3
61.98833	3.7
69.03453	2.3
71.01389	64.9
71.85091	0.9
72.99313	2.9
73.02950	21.6
75.00878	2.0
75.72509	0.9
83.01402	5.1
83.05011	2.3
85.02959	20.4
86.00105	2.7
87.00874	5.8
87.04536	1.0
87.81548	0.8
89.02452	66.0
95.01406	3.8
96.96032	2.4
97.02966	4.2
99.00893	17.0
99.04523	1.6
101.02448	37.9
101.06085	1.7
105.52836	1.1
109.02976	2.6
111.00896	3.5
113.02463	19.1
115.04054	2.1
117.03458	7.9
118.06687	1.2
119.03489	8.3
123.04535	1.1
125.02473	7.9
125.09723	1.0
128.05127	1.1
131.01370	2.0
131.03513	10.0
137.09721	1.1
143.03510	3.6
144.04572	7.5
146.06151	5.9
148.08902	0.9
149.04568	33.3
151.04044	1.1
151.11287	1.0
159.03012	2.3
159.06590	5.4
160.01624	1.7
160.04012	1.4
161.02458	1.6
161.04604	10.4
163.04028	1.2
163.11272	5.0
173.02475	2.8
175.00412	4.1
179.05617	3.6
183.04521	1.0
190.05122	7.0
191.02028	3.7
191.05670	7.2
193.05049	1.1
203.14447	3.4
209.02997	1.8
211.04088	1.0
213.05569	0.9
221.06491	2.1
227.03574	1.5
233.06685	4.7
249.06395	1.3
249.08725	7.9
251.07796	2.0
255.02986	17.0
267.06912	1.2
269.04547	1.4
269.17599	3.7
281.04590	1.7
283.02530	42.2
283.05945	3.0
284.03162	2.3
285.04102	16.2
293.04590	54.8
293.08459	2.7
294.05011	2.4
297.07727	2.2
298.04730	2.0
307.06183	1.1
309.04086	1.2
310.49176	1.0
311.05618	4.9
311.09592	1.3
353.06598	3.2
381.14023	15.3
403.23383	1.0
413.08835	32.7
414.09293	2.2
417.08344	1.5
430.09125	11.3
431.09970	10.2
431.22934	14.9
432.23267	1.1
443.10135	1.6
475.21747	1.1
533.26093	4.1
535.27496	2.1
545.26160	2.9
563.14032	37.0
563.27124	100.0
564.14612	3.2
564.27301	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	563.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37922	1.7
55.01876	2.8
55.78010	1.9
57.03449	3.1
59.01079	4.3
59.01382	87.0
61.98838	4.0
71.01386	67.9
73.02948	11.4
81.42707	2.0
83.01397	2.6
85.02965	10.6
85.88519	1.8
86.82972	1.8
87.00900	5.0
89.02449	81.3
97.74782	1.7
101.02452	45.4
113.02447	13.9
119.03533	5.4
125.02467	3.7
130.17294	1.8
131.03528	28.9
149.04562	100.0
152.89548	1.8
191.05643	18.2
284.98395	1.8
311.09583	2.2
343.80484	2.2
347.69223	2.2
355.97882	2.0
370.44138	2.5
392.74878	2.2
503.24988	8.5
563.27100	6.3
564.08917	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18277	1.9
55.01874	3.5
57.03453	3.0
59.01388	64.2
61.13530	1.8
61.98843	16.5
69.31622	8.4
70.11470	1.6
71.01392	52.6
72.82995	1.7
72.99298	2.6
73.02954	13.1
83.01396	7.0
85.02959	16.5
87.00882	4.2
88.98769	3.0
89.02464	30.6
97.02953	2.8
99.00887	7.4
101.02460	36.8
101.06274	1.9
111.00890	6.0
113.02476	13.6
116.82962	1.7
117.64437	1.7
119.03550	3.3
119.05060	2.2
125.02451	3.4
131.03531	13.8
143.03474	3.4
144.58310	2.1
149.04585	12.6
160.01634	3.1
160.04204	2.4
161.04500	5.5
175.03914	2.4
203.05589	1.9
209.15446	2.5
233.06656	3.8
293.08936	2.9
354.13568	4.7
355.13889	2.4
371.20859	11.9
374.31323	1.8
374.95367	2.0
445.11313	2.9
503.17844	4.8
503.25073	100.0
504.25339	6.1
514.41504	1.8
563.14264	2.4
563.27026	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	563.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.03446	4.6
58.92617	0.3
59.01383	98.4
61.98841	1.7
69.03453	1.5
71.01386	18.6
71.06357	0.3
72.99314	0.5
73.02954	7.3
75.00888	0.5
81.03452	0.6
83.01393	5.2
85.02953	12.6
86.00094	0.6
87.00883	1.7
87.04594	0.4
89.02441	2.3
95.01398	2.3
97.02972	1.8
99.00903	2.3
101.02456	12.8
111.00910	2.5
111.08167	0.7
112.01686	1.1
113.02460	8.4
113.09732	0.6
115.04030	0.7
118.42065	0.3
119.03570	0.5
125.02472	2.6
125.09705	0.3
127.11286	2.1
129.02014	0.5
131.03531	0.7
137.09731	3.6
141.02013	0.5
142.02708	0.3
143.03510	2.0
149.04536	0.3
153.12801	1.9
155.10783	6.3
157.12364	2.4
159.03004	1.2
161.04588	1.9
167.10794	0.4
171.14006	0.4
173.11816	0.6
175.04068	0.4
183.13965	1.1
186.12602	0.5
191.05626	0.9
195.34261	0.4
201.14967	6.8
230.15237	4.1
231.15877	1.0
301.16837	0.5
317.15845	0.5
330.16858	0.5
335.17273	0.7
336.96713	0.3
341.27094	2.0
357.26523	1.4
359.28033	17.9
360.28372	0.8
383.27774	0.7
413.29010	0.9
429.28076	0.4
455.30423	1.5
467.30252	0.6
473.31403	1.5
485.31226	0.9
501.30844	0.7
503.32285	100.0
504.32614	4.8
521.33325	37.3
522.33923	1.5
545.33087	2.1
563.25671	0.3
563.33923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06469	1.1
55.49904	1.0
59.01387	13.3
71.01402	1.8
78.95921	1.7
81.25793	1.0
89.02463	2.4
101.02458	2.8
119.35487	1.2
128.29358	1.0
161.04578	1.3
164.35976	1.2
171.00838	1.1
217.19482	1.3
235.08318	1.7
245.04208	2.4
246.27542	1.1
253.09331	11.3
253.21747	1.5
267.23306	100.0
268.23682	4.0
272.22974	1.2
281.24905	4.1
336.48743	1.2
388.56519	1.3
449.17719	1.1
481.25751	2.7
506.32565	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	564.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93723	0.7
55.20187	0.8
57.31488	0.7
59.01382	2.7
61.98837	100.0
69.33686	3.0
85.02977	1.1
87.00880	5.2
88.82771	0.7
101.02431	1.2
103.82462	0.7
130.99904	1.7
148.04935	0.6
166.06267	0.9
177.02007	0.7
191.05626	2.1
191.07178	0.8
227.03648	2.9
255.02872	4.2
284.03192	4.7
285.04044	2.3
363.90582	0.9
431.26682	1.2
432.14447	0.8
501.10684	6.1
546.20880	0.8
563.31860	1.1
564.25482	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01389	4.5
61.98836	100.0
67.66776	0.3
68.72599	0.3
71.01398	2.1
71.40627	0.4
73.02956	0.5
85.02956	0.6
87.00912	0.4
89.02454	1.8
101.02473	1.4
112.79271	0.3
113.02458	0.7
118.38326	0.4
131.03574	0.8
149.04575	1.2
153.87604	0.3
191.05676	0.6
202.60468	0.3
273.86462	0.3
283.09433	0.3
301.98026	0.3
503.25247	0.7
504.25732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.4
59.01389	4.5
61.98836	100.0
67.66776	0.3
68.72599	0.3
71.01398	2.1
71.40627	0.4
73.02956	0.5
85.02956	0.6
87.00912	0.4
89.02454	1.8
101.02473	1.4
112.79271	0.3
113.02458	0.7
118.38326	0.4
131.03574	0.8
149.04575	1.2
153.87604	0.3
191.05676	0.6
202.60468	0.3
273.86462	0.3
283.09433	0.3
301.98026	0.3
503.25247	0.7
504.25732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65903	0.5
59.01385	15.7
60.01729	1.1
60.33288	0.5
61.98836	100.0
62.12528	0.5
62.39257	0.6
71.01389	10.1
72.01727	1.0
73.02942	3.2
74.03297	0.7
83.01382	0.7
85.02518	0.5
85.02940	2.6
87.00903	0.9
89.02457	12.1
90.02781	1.9
92.32645	0.5
97.02957	0.5
101.02452	6.4
102.02797	0.9
111.00897	0.8
113.02502	1.6
119.03548	1.3
125.02441	0.8
131.03505	3.6
142.53294	0.5
143.03487	0.7
149.04579	8.3
150.04944	2.3
160.01773	0.7
161.04646	1.0
175.04167	0.8
191.05739	2.3
192.05945	0.6
197.49033	0.5
293.08911	0.9
402.12369	0.6
503.25128	2.1
504.25467	7.9
564.25397	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	564.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
59.01388	10.6
60.01729	0.6
61.98837	100.0
71.01395	7.8
71.42554	0.6
72.01743	0.7
73.02966	1.9
78.42924	0.4
83.01407	0.5
85.02970	1.8
89.02461	7.1
90.02800	0.8
97.19767	0.4
99.00836	0.7
101.02455	4.6
102.02817	0.7
109.24368	0.5
111.00906	0.8
113.02499	1.9
114.02751	0.6
119.03551	0.9
125.02462	0.6
131.03569	2.5
132.03906	0.5
136.42122	0.4
143.03537	0.4
149.04546	3.7
150.04951	0.5
160.01755	0.8
161.04550	0.6
162.04996	0.5
175.04056	0.6
181.00844	0.4
191.05652	1.1
192.05946	0.5
214.31381	0.4
372.21155	1.1
472.13223	0.5
503.25266	1.4
504.25342	12.1
564.24805	0.8
565.26904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.9
59.01383	16.6
61.94064	0.7
61.98833	6.0
62.97269	0.8
66.81749	0.7
71.01387	10.5
71.42274	0.9
73.02957	3.4
74.16654	0.8
83.01409	2.5
85.02959	3.2
87.00887	2.0
89.02457	7.9
95.01396	2.4
96.96011	1.1
99.00922	1.6
99.04527	1.7
101.02457	8.0
107.05035	2.2
109.02966	2.0
111.00893	2.8
113.02476	3.8
119.03561	1.4
119.05043	2.0
121.02973	1.1
121.06583	1.0
122.03751	1.1
123.00887	3.2
123.04510	1.1
124.01678	3.0
125.02435	2.0
131.03545	1.8
135.04550	4.8
136.01674	3.8
137.02513	1.5
138.03252	5.7
139.00378	7.4
139.03983	2.2
147.04523	6.8
149.02493	0.9
149.04578	2.5
150.05672	0.9
151.00395	1.1
151.04039	5.2
153.01944	1.4
159.04491	1.5
161.04558	1.2
162.06934	1.7
163.04050	4.0
166.02716	3.8
173.02452	1.4
175.04039	2.3
176.01178	2.0
177.01941	1.6
177.05566	2.1
179.03638	0.9
180.02994	1.0
180.04430	1.0
181.05096	2.2
188.04800	4.8
189.05605	1.1
191.03522	3.5
191.05586	1.4
193.05103	3.0
203.03542	3.5
205.05025	1.6
218.05890	1.2
221.04521	1.8
224.49701	0.9
251.09259	2.2
283.10840	2.1
285.07593	1.6
295.05914	0.9
297.07700	1.0
310.04697	0.8
313.07205	2.5
325.07233	1.6
327.09113	1.2
328.09546	18.3
329.10178	1.2
340.09619	3.1
343.11890	35.5
344.12256	1.5
351.43610	0.9
355.12021	2.6
359.17041	0.8
373.09058	5.4
373.13217	4.7
377.18320	4.7
387.03174	1.3
388.11682	7.7
389.12546	1.3
403.14005	100.0
404.14160	4.8
419.19086	1.7
433.24414	1.4
459.22699	0.9
519.24353	2.9
535.14581	3.4
565.11780	2.0
565.19385	36.6
565.28558	5.6
566.19568	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.8
57.03446	4.3
59.01383	89.1
59.13627	1.6
61.98837	50.9
62.30080	1.3
69.26470	3.5
69.26877	4.4
71.01391	44.2
72.99319	2.0
73.02959	8.2
75.00885	1.5
75.12122	1.6
76.44430	1.4
79.40923	1.5
83.01393	5.3
85.02970	15.7
87.00894	2.7
87.30006	1.6
89.02452	36.2
95.01418	2.4
99.00859	3.5
99.04568	2.0
101.02444	29.5
110.85732	1.5
111.00871	4.5
113.02460	16.6
119.03516	10.4
121.02950	2.4
123.00904	4.9
123.04540	2.8
125.02455	2.1
131.03563	3.1
135.04593	1.9
136.01688	20.9
137.02449	3.7
138.03230	5.3
139.00412	4.0
143.03549	2.6
145.06599	1.9
146.03709	3.6
147.04530	2.4
149.04559	4.4
151.00369	3.1
151.04027	37.6
152.01096	2.5
153.01944	4.3
159.04553	5.7
160.05305	24.2
161.04573	5.5
162.03255	2.1
166.02760	7.9
167.03471	3.7
174.03325	2.4
175.04015	3.2
175.07692	13.4
179.05704	1.7
180.04282	1.9
181.05141	7.3
187.03941	1.7
188.04843	2.5
191.05704	1.7
193.05188	1.9
201.05731	2.8
202.02672	8.0
203.03497	9.5
204.04053	2.1
217.05055	11.2
218.05821	10.6
232.07431	2.5
233.08209	23.3
277.05002	2.4
282.05334	2.2
294.05344	1.9
308.06949	1.7
309.07541	2.0
310.04761	2.5
325.07260	4.8
340.09384	8.3
355.11850	35.9
367.11621	4.2
373.22339	10.0
385.13007	14.7
388.11737	2.8
403.14014	21.2
502.22034	1.8
503.24823	1.8
504.25211	3.4
505.26196	21.0
519.28302	15.3
530.30847	1.5
549.08624	1.7
565.19409	100.0
565.28510	11.3
566.19794	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	565.1932
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.85752	1.0
54.35759	1.2
55.01873	2.1
56.02852	1.0
57.03439	3.3
58.00573	1.2
59.01384	76.1
59.26078	1.1
61.98835	36.9
63.55386	1.1
71.01386	41.0
71.45417	1.2
72.99304	1.3
73.02949	9.8
83.01398	5.0
85.02961	12.2
87.00875	2.4
89.02447	31.2
92.59222	1.1
94.58371	1.1
95.01373	2.6
97.02979	1.6
99.00864	2.7
101.02455	28.0
108.02174	1.2
109.02946	1.4
111.00892	3.4
113.02462	14.6
115.81160	1.2
119.03522	9.5
119.05031	2.0
121.02936	1.2
123.00904	3.6
123.04514	2.6
125.02439	1.9
131.03511	4.6
135.04561	1.5
136.01666	18.3
137.02422	4.1
138.03227	5.1
139.00378	3.2
143.03479	1.4
145.06575	2.0
146.03795	2.4
147.04539	1.8
149.04607	3.8
151.00398	5.8
151.04004	29.9
152.01208	1.6
153.01935	3.9
153.05580	1.5
159.04523	4.0
160.01683	2.5
160.04054	1.4
160.05284	18.8
161.04556	4.4
161.89323	1.3
166.02721	9.0
167.03503	3.6
174.03261	1.3
175.04031	3.0
175.07649	12.8
179.05640	2.2
180.04324	1.6
181.05086	9.4
185.02448	1.5
187.04010	1.4
188.04868	2.8
189.01857	1.7
189.05502	1.4
193.05049	2.5
201.05725	1.5
202.02736	6.3
202.06274	1.9
203.03502	10.8
204.04173	2.6
205.05171	1.3
217.05109	10.1
218.05850	11.3
219.06631	1.7
232.07312	2.3
233.08241	18.3
254.05638	1.2
266.06018	3.0
271.05936	1.4
281.08206	1.4
282.05179	1.6
293.04517	2.2
298.39130	1.1
309.07550	2.5
310.04919	1.3
325.07336	5.9
337.07211	1.5
340.09424	6.8
355.11890	42.8
355.16302	2.6
367.11865	4.3
373.22256	11.1
385.12814	14.5
388.11731	4.4
389.12521	1.4
403.14011	26.0
433.24246	1.9
444.67767	1.2
487.28772	1.3
504.25250	3.2
505.26215	15.6
519.28149	15.5
521.26410	1.5
565.19324	100.0
565.28510	10.0
566.19623	4.3
566.28644	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
61.98849	22.3
80.84094	18.1
87.00889	25.0
90.52578	16.5
91.58575	18.4
95.58510	17.9
109.56253	18.5
229.26971	20.0
235.17249	20.4
240.10863	23.8
252.86952	21.8
565.25214	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
57.03444	6.5
59.01383	100.0
61.98832	71.2
62.69580	2.4
64.64539	2.6
68.99844	2.8
71.01387	71.8
73.02953	23.3
79.77051	2.9
83.01401	12.4
85.02959	33.0
87.00885	5.7
89.02463	43.0
95.01397	8.6
96.96009	3.8
99.00896	13.0
101.02454	49.8
107.01434	2.6
108.02179	4.0
111.00893	3.2
113.02451	26.4
119.03501	8.7
119.05035	4.7
121.02943	5.2
123.00893	14.6
123.04523	3.8
125.02460	4.7
131.03482	7.1
134.03780	3.1
134.50006	3.1
135.04553	7.9
136.01720	8.2
137.02467	6.5
138.03201	5.3
149.04579	10.7
151.00397	17.4
151.04001	14.4
152.01028	2.7
153.02000	3.1
159.03088	3.5
159.04462	2.7
160.04068	4.7
160.05342	5.8
161.04556	14.0
162.03232	3.7
163.04065	4.6
166.02643	13.9
167.03606	3.5
175.03986	6.7
175.07619	4.2
177.05522	4.0
179.03500	3.8
181.05130	10.7
193.05084	13.1
203.03450	4.9
217.05057	3.2
229.26886	3.4
233.08180	5.0
271.06262	7.1
340.09406	3.3
355.11780	11.6
373.22333	58.2
388.11450	5.5
403.13983	33.6
479.83679	3.0
505.26599	60.8
518.17914	3.5
519.28137	41.2
565.18982	37.1
565.28845	23.8
572.91095	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	565.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09961	0.5
55.01884	3.0
55.02093	0.5
57.03465	2.4
58.00607	0.6
59.01385	51.9
61.98835	40.5
62.98515	0.9
69.03437	1.1
69.06040	4.1
71.01389	41.4
72.99313	1.2
73.02953	13.8
73.40031	0.5
74.52592	0.4
75.00859	0.8
81.47803	0.5
83.01400	7.6
85.02957	15.5
86.00115	0.6
87.00887	1.9
89.02454	21.6
95.01387	1.9
97.02966	1.8
99.00896	4.5
99.04546	0.5
101.02454	33.3
111.00925	2.5
113.02460	12.9
115.04005	1.2
119.03500	2.4
125.02448	2.7
129.01961	0.9
131.02554	0.8
131.03520	10.4
131.60114	0.6
143.03488	2.0
147.11815	0.8
149.04553	6.3
159.03027	2.1
161.04565	7.5
175.04053	0.9
183.38254	0.5
191.05630	1.1
215.05621	0.7
219.21107	0.5
233.06662	2.4
247.66309	0.5
293.08759	1.2
355.21234	0.8
373.22311	22.5
374.22662	0.8
381.09546	0.7
381.14008	0.8
433.24341	0.9
465.34775	0.6
498.57855	0.7
505.26608	100.0
506.26773	6.0
547.27399	0.6
565.19818	0.6
565.27747	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	565.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
57.03446	6.1
58.00582	1.4
59.01382	98.0
60.56909	0.7
61.98819	2.8
69.03445	2.9
71.01385	82.4
71.05025	1.7
72.99296	1.7
73.02951	27.2
75.00864	3.0
81.03453	2.8
83.01389	7.3
85.02953	20.7
85.03468	1.1
87.00891	5.7
87.04514	1.9
89.02449	68.1
93.03419	0.8
95.01397	4.0
97.02955	5.8
98.21823	1.8
99.00885	19.9
99.04523	3.4
101.02448	49.6
109.02984	0.8
111.00890	2.4
113.02456	18.5
115.00340	0.9
115.04015	3.6
119.03503	7.8
121.02969	0.8
125.02457	11.0
131.03525	12.9
136.04053	1.4
143.03503	3.5
149.02573	1.0
149.04559	27.6
151.03990	1.4
159.03035	1.9
160.01668	0.8
160.04034	0.9
161.04578	10.6
165.02229	0.8
171.13802	0.8
175.04094	0.9
179.05626	3.2
180.03110	1.2
191.05617	8.1
233.06689	7.4
239.07129	0.8
251.07710	1.4
251.32867	0.9
267.12408	1.1
269.14020	1.8
271.19144	2.4
283.02429	1.5
283.10965	1.2
284.02902	2.1
293.08896	5.3
313.09384	1.2
321.08679	0.8
333.19205	2.9
353.11212	1.0
370.56400	0.8
403.14145	1.3
415.23224	4.6
422.27621	1.7
432.09509	0.9
433.24426	34.6
434.24927	1.1
449.20032	4.3
465.23386	2.6
514.47900	0.8
521.26074	1.3
533.17847	1.1
547.27393	3.2
565.28632	100.0
566.20209	0.8
566.28821	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	565.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
57.03450	4.5
58.00611	0.4
59.01384	78.5
60.01731	0.5
61.98837	8.4
67.01897	0.4
69.03469	1.0
71.01389	16.9
71.42170	0.3
72.99316	1.0
73.02956	6.4
75.00869	0.4
77.16157	0.3
81.03498	0.3
82.95421	0.3
83.01395	5.1
84.95129	0.3
85.02959	11.0
86.00117	0.5
86.72495	0.3
87.00877	2.3
87.04527	1.5
89.02435	2.8
89.02863	0.3
95.01382	2.5
97.02950	1.2
97.06615	0.5
99.00894	2.9
99.04524	0.6
99.08176	0.3
101.02452	12.2
109.02982	0.4
111.00910	2.5
112.01682	1.0
113.02458	8.6
113.09770	0.4
113.78396	0.3
115.04039	0.6
116.92824	0.3
119.03569	0.4
123.04583	0.3
123.08197	1.4
124.01693	0.4
125.02444	2.5
129.01944	0.8
131.03539	0.4
132.02084	0.3
135.04575	0.4
135.08176	0.5
139.11290	0.4
141.09244	0.6
141.12898	1.1
143.03529	1.5
143.10783	1.0
153.09224	1.2
159.03047	1.5
160.01686	1.2
161.04541	2.4
169.12321	0.8
171.13928	2.1
173.11729	0.3
175.04004	1.6
181.12283	0.4
187.13458	1.3
193.04942	0.5
199.45699	0.3
200.14137	0.7
201.14978	1.9
217.14513	0.7
237.71054	0.3
271.22791	1.0
279.66138	0.3
312.24857	0.3
315.25443	1.6
330.42017	0.3
341.26984	0.5
343.28519	1.2
348.77835	0.3
359.28049	2.4
361.29572	10.9
362.30011	0.5
421.24457	0.6
449.27673	0.3
457.31732	1.0
469.32135	0.5
475.32947	1.5
487.32669	0.7
503.32541	0.3
505.33862	100.0
506.34100	5.9
521.30518	0.4
523.34882	25.7
524.35461	1.8
565.26172	1.1
565.35516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26671	0.3
57.03450	0.4
57.36680	0.4
57.36965	0.4
59.01374	1.3
60.81648	0.4
61.98833	100.0
66.43224	0.4
71.01386	0.6
76.47597	0.4
78.90491	0.3
89.02494	0.6
101.02466	0.5
109.22105	0.4
113.77335	0.4
167.94252	0.4
196.43721	0.4
229.37479	0.5
252.38704	0.4
346.66287	0.4
500.99973	0.4
506.25900	0.5
521.32324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	100.0
61.98834	41.1
66.16594	9.6
70.46252	10.3
71.01395	11.6
73.02954	18.5
97.95715	10.3
98.17449	10.1
98.21815	21.9
101.02434	28.2
113.02451	14.9
134.03697	11.1
155.52997	10.0
193.05017	23.5
211.06107	27.4
237.48351	10.3
289.65750	9.6
330.66428	10.3
343.70428	12.3
481.27908	19.4
502.16235	15.1
523.29120	16.9
567.15601	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	566.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.4
59.01386	100.0
60.01707	6.2
60.21482	2.0
61.01792	2.5
61.98840	86.8
71.01395	19.8
72.01766	2.0
73.02952	7.0
83.01381	3.0
85.02958	11.8
86.49216	2.0
88.98810	3.2
89.02435	6.5
91.77196	2.2
99.00887	3.7
101.02463	12.7
111.00867	3.1
113.02439	10.2
141.62984	2.6
155.10785	2.2
161.04584	2.5
193.05034	3.5
230.43269	2.6
239.66727	2.3
252.85513	2.3
300.02676	3.4
351.72488	2.4
361.29422	4.5
362.29926	3.5
402.17960	2.7
504.32562	4.0
505.33429	9.7
506.33954	50.5
523.34424	4.8
524.35071	16.1
567.11450	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	566.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36047	1.1
55.01872	2.3
55.60453	1.1
56.77613	1.4
57.03451	77.1
57.36593	1.2
59.01382	100.0
61.98830	18.8
69.46915	6.6
71.01385	30.5
73.02949	11.5
83.01395	5.6
85.02952	13.9
87.00897	2.9
89.02447	16.8
95.01405	2.4
99.00880	3.9
99.04522	64.7
101.02445	43.0
108.39001	1.2
111.00919	1.6
113.02474	10.6
119.03482	4.7
125.02457	23.8
127.60079	1.2
133.02942	1.4
143.03465	2.6
145.80879	1.5
149.04521	3.9
150.03244	2.2
159.03038	1.9
160.04033	6.4
161.04547	5.3
165.05573	1.9
179.05600	2.7
191.05586	1.5
195.06560	3.4
196.00723	4.2
206.04579	1.9
242.11086	2.5
260.22156	3.3
281.86514	1.4
341.10806	2.3
357.13382	2.3
389.21707	2.6
404.14758	1.4
404.26532	25.2
405.17365	1.7
405.26706	2.4
422.27597	53.7
423.27826	2.5
464.28476	4.7
496.95767	1.6
521.26001	16.2
523.26648	2.7
566.13983	3.6
566.21619	7.7
566.31573	13.1
567.23688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33237	1.1
61.98835	100.0
69.10937	4.4
69.11342	3.6
92.60476	1.2
98.22613	2.7
102.09029	1.0
131.58675	1.3
152.99652	2.1
179.62752	1.3
253.21700	1.8
284.60077	1.2
299.66559	1.2
370.19125	1.3
552.06830	1.3
555.73297	1.6
588.42041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.67376	1.0
57.03454	100.0
59.01385	99.9
60.01732	1.0
61.98835	15.5
69.03426	1.2
71.01389	27.8
73.02970	7.2
75.00849	1.0
83.01392	6.7
85.02955	12.4
89.02455	11.4
91.47425	0.8
95.01398	2.4
97.02998	1.8
99.00896	2.6
99.04527	87.3
101.02451	38.6
102.02827	1.1
107.45265	1.0
108.02197	1.2
108.34978	0.8
111.00885	3.0
113.02460	12.3
119.03498	2.5
121.02995	1.6
125.02464	34.3
128.03519	1.0
131.03514	1.4
143.03519	2.6
143.95267	0.8
149.02458	1.0
149.04608	1.5
150.77893	1.1
159.03000	1.3
160.04082	1.9
161.04575	5.8
179.05550	1.2
191.05704	1.7
196.00838	2.0
234.04755	1.0
260.22409	3.3
298.07980	1.4
335.77454	0.9
354.07013	2.4
355.07263	1.7
356.07434	2.7
369.13571	1.5
384.08075	1.6
385.08273	1.6
386.08701	2.3
404.26544	26.5
405.26761	1.1
422.27649	58.9
423.27933	2.8
464.28494	3.7
504.31567	1.5
566.14557	17.9
566.32001	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	567.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
58.00581	0.8
59.01386	13.5
61.98837	1.7
71.01394	7.1
72.67230	0.8
73.02946	2.4
83.01389	1.4
84.14025	0.9
85.02963	3.0
87.00891	8.2
89.02462	6.4
94.13433	0.8
95.01379	1.3
96.96037	1.4
99.00892	1.1
99.04559	1.2
101.02441	6.1
111.00885	2.6
113.02483	2.2
116.03604	0.8
118.03002	19.6
119.03480	0.9
119.05010	1.2
121.02948	1.1
122.99110	3.3
123.04536	3.1
125.02467	1.2
130.99857	2.5
138.00185	4.4
140.01794	12.7
149.04582	1.5
160.04068	18.3
161.04527	2.4
164.98923	6.1
165.05528	1.7
165.99712	13.9
175.04036	2.5
179.05687	2.1
182.06097	5.3
184.00745	3.2
191.07426	0.9
195.02969	1.4
195.06671	1.1
208.04330	1.3
209.04784	4.4
210.05605	6.9
214.03326	1.7
221.06615	0.9
226.05188	3.3
241.02074	1.8
242.00499	2.3
242.02800	23.4
252.03101	1.5
253.03603	1.3
254.04359	3.2
255.05092	3.9
260.03989	4.4
285.01083	4.5
286.01828	91.7
287.02148	3.1
304.02771	1.1
318.04373	9.7
342.11084	1.2
357.13409	2.2
387.14352	0.9
424.39301	1.2
445.74390	1.0
448.07126	34.4
449.07431	1.0
480.09732	100.0
481.09912	6.1
491.11276	1.1
566.31964	1.2
567.12036	1.7
567.18561	3.0
567.26703	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	567.1358
Annotation	Polygalaxanthone VIII
Peak:m/z	Relative Intensity
57.03443	1.2
59.01384	8.1
61.98838	22.7
69.03482	0.8
71.01386	4.6
71.42174	0.4
72.99304	0.8
73.02953	1.7
75.00877	1.3
80.50066	0.4
83.01379	1.1
85.02967	1.4
89.02446	2.5
90.65367	0.4
95.01393	1.3
95.52292	0.4
97.02955	1.4
99.00901	0.4
99.04526	0.9
101.02456	2.7
107.01411	0.9
109.02943	0.7
113.02441	2.0
113.99587	0.7
114.31408	0.4
119.03509	0.8
121.02160	0.8
121.02969	10.5
123.00906	12.1
124.01681	27.9
125.02468	17.5
126.75636	0.4
126.93781	0.4
128.75475	0.5
133.03061	0.4
137.02412	0.5
139.11301	2.1
149.02440	0.6
149.04602	0.7
149.99602	46.2
151.00288	1.8
151.04024	0.5
151.05168	0.5
160.04071	0.5
161.04578	0.6
163.04056	1.0
165.05612	0.8
167.03551	1.1
168.00659	96.8
169.01440	4.5
174.01675	2.0
179.03487	0.9
179.05679	0.5
181.12393	0.9
182.14580	0.4
183.10277	2.5
193.01427	0.6
193.05101	0.7
195.06677	1.0
201.11363	0.8
225.11412	1.2
228.79326	0.4
243.12378	5.7
313.05527	1.0
331.06735	4.0
343.21506	0.6
361.22128	0.8
379.18842	0.4
387.16345	1.4
404.97473	0.4
445.09781	1.4
486.18057	0.5
549.13080	0.7
551.34143	0.5
566.32813	0.6
567.13635	100.0
567.22278	5.3
568.13995	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	567.1361
Annotation	Polygalaxanthone VIII
Peak:m/z	Relative Intensity
57.03461	0.6
58.35707	0.6
59.01392	4.0
61.98840	15.1
66.45680	0.5
69.03461	1.6
69.13423	3.3
71.01395	2.7
72.99304	0.8
73.02958	1.0
83.01395	0.6
85.02982	0.5
87.90939	0.5
89.02467	2.0
95.01395	1.6
98.21765	1.2
101.02449	1.5
107.01418	0.6
113.02459	1.1
121.02974	10.5
123.00897	11.7
124.01678	31.9
125.02467	16.4
131.10991	0.6
137.02478	0.7
149.02463	0.9
149.99605	46.2
150.03215	1.1
151.00327	2.2
163.03999	1.1
165.05606	0.6
167.03519	1.1
168.00659	100.0
169.01405	5.9
179.03514	1.2
194.05878	0.8
195.06638	0.7
209.08263	1.4
212.56995	0.5
269.06577	0.8
293.70169	0.6
313.05417	0.6
331.06787	3.6
445.09985	2.0
460.62323	0.6
530.78717	0.6
549.12408	0.8
567.13586	99.6
568.14020	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	567.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01387	9.2
61.98837	2.5
69.78449	2.6
70.16999	0.8
71.01395	6.0
73.02953	1.4
79.95697	0.8
85.02968	2.7
87.00886	1.5
89.02447	3.8
97.02988	0.9
99.04545	1.1
101.02443	4.2
108.02218	1.1
109.02989	1.7
111.00891	2.1
111.04454	0.8
113.02458	2.2
119.03532	1.5
120.02190	1.3
121.02969	13.4
122.03747	1.9
123.04580	1.2
124.01624	2.4
127.94353	0.8
136.01662	1.9
137.02501	0.8
139.04039	3.1
143.03502	1.0
146.03706	1.8
147.59616	0.7
149.02481	1.0
149.04579	1.4
150.03233	6.0
151.00392	2.2
151.04007	3.0
159.04433	0.9
160.05295	1.4
161.02449	1.4
161.04666	1.5
161.06044	2.0
165.01973	0.9
165.05591	6.6
166.02771	5.1
172.05360	1.3
173.02478	1.9
174.03278	1.6
175.04031	2.8
176.04800	1.4
179.05588	0.7
181.05101	3.9
189.05618	5.8
190.06409	3.0
191.03546	1.8
191.05353	0.8
195.06610	6.2
205.05086	2.5
205.08714	0.9
206.05849	2.8
209.04576	11.4
220.07463	1.3
221.08217	5.0
238.06366	1.0
241.09935	1.0
265.04944	0.9
266.05853	1.9
277.05167	0.9
279.06451	0.9
281.04486	1.1
281.08136	1.2
282.05301	4.5
294.05334	4.5
296.07089	1.4
297.07700	6.4
309.07697	5.5
311.09213	4.0
312.06525	1.6
312.10068	3.2
324.10089	4.7
326.11676	3.2
327.08701	3.9
327.12399	9.3
339.12363	1.3
342.11111	23.3
343.11209	1.4
357.13467	100.0
358.13910	4.7
375.14490	8.7
387.14523	12.9
388.14465	0.9
405.15860	5.5
491.16699	0.9
499.28717	0.9
521.25751	1.6
567.14093	1.4
567.22058	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39840	0.6
55.66954	0.6
57.03447	0.7
59.01390	6.1
70.42428	1.3
71.01393	3.3
73.02948	1.4
77.20802	0.6
77.56178	0.7
85.02945	2.0
87.00861	4.1
89.02464	3.9
93.03458	0.7
101.02457	3.0
103.48295	0.7
108.02173	1.0
109.02979	4.4
111.00914	1.7
113.02449	2.3
113.20966	0.7
119.03525	0.8
121.02963	8.8
122.03775	1.4
123.04555	7.2
124.01687	2.4
130.99887	1.0
134.06145	3.2
136.01680	4.7
137.02396	0.8
138.03223	0.9
139.04050	4.0
145.03001	1.4
146.03777	1.3
147.04472	0.7
149.02429	1.7
149.06073	1.6
150.03200	3.3
151.00360	3.2
151.04036	4.3
160.05359	1.6
161.02496	1.4
161.04559	0.9
161.06071	1.6
163.03995	0.9
165.01947	6.3
165.05566	3.4
165.32037	0.7
166.02734	5.7
172.05350	1.6
173.02434	3.4
174.03244	1.9
175.04007	5.9
176.04793	1.2
177.05589	1.1
178.05110	2.9
181.05106	4.8
184.04355	0.7
189.05591	5.0
190.06429	4.4
191.03529	1.5
193.05006	1.0
195.02997	1.0
195.06622	2.0
205.05064	3.4
205.08711	1.1
206.05882	2.5
219.03085	1.5
220.07378	1.5
221.08138	4.8
237.04185	1.5
238.06380	1.3
249.05586	0.7
254.04247	1.2
255.05109	4.3
266.05743	1.9
277.05008	0.8
279.06680	2.3
281.08148	0.9
282.05350	7.5
283.06107	0.7
293.04694	1.1
293.08200	1.3
294.05331	4.8
296.07010	1.2
297.07739	9.7
299.09180	0.7
309.07742	8.4
312.06390	2.1
312.10101	5.9
323.09067	1.1
324.10077	4.1
327.08707	3.8
327.12402	12.8
339.12454	1.7
342.11075	19.6
343.11572	0.8
345.13400	2.2
357.13467	100.0
358.13788	4.4
369.13455	1.8
375.14529	12.4
387.14536	13.8
405.15585	8.3
405.20731	1.1
567.12891	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	568.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56737	1.0
59.01385	19.8
61.98836	58.9
65.42281	1.2
66.77234	1.1
69.16666	4.5
69.17066	2.4
71.01401	7.7
73.02942	1.9
78.95926	2.7
79.61022	1.2
80.54803	1.2
83.01425	1.0
85.02958	2.0
87.00912	1.3
89.02456	4.5
96.96014	1.4
101.02453	5.0
106.88670	1.2
108.02204	1.5
111.00940	1.3
113.02510	2.7
120.99689	6.3
121.03004	1.3
125.20761	1.2
145.77818	1.2
148.01677	1.3
151.00337	3.5
152.99609	2.7
177.41086	1.4
179.00020	1.5
180.18787	1.3
211.03970	1.3
226.02727	1.4
227.03462	2.0
232.88113	1.2
243.03058	7.5
255.03008	23.2
271.02509	52.9
272.02893	2.4
289.41162	1.3
299.02002	4.0
300.02771	100.0
301.03397	9.4
445.07892	2.9
458.96823	1.5
463.08936	2.0
505.09924	79.1
506.10312	4.0
507.26285	1.5
567.29590	1.3
568.12524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73416	1.8
51.91002	1.8
56.91700	1.6
57.93589	1.5
59.01379	18.5
61.98834	45.4
69.46791	1.6
69.51818	7.6
70.77570	1.6
71.01382	8.3
73.02942	3.4
75.02401	2.3
80.55756	1.5
83.01403	1.7
85.02937	2.9
89.02439	3.0
89.88811	1.8
90.30824	1.9
92.01418	1.8
93.03468	2.2
95.05016	4.4
96.96005	1.9
100.22736	1.7
101.02432	4.8
105.82860	1.6
108.02177	4.1
109.02959	63.2
110.38578	1.7
113.02457	1.9
118.06411	1.8
119.03448	2.5
121.02959	3.8
126.78072	1.7
131.01393	23.8
131.10025	1.8
132.02144	3.7
133.02925	2.3
139.03978	3.3
145.02966	2.8
147.00902	17.1
147.13451	1.6
148.01704	10.9
149.02454	76.0
160.01700	2.3
161.01181	15.5
161.02411	3.8
161.04567	2.7
165.01848	2.6
167.05020	2.9
173.99512	2.5
174.01985	2.9
174.03351	2.3
175.00368	27.5
175.03920	3.4
176.01160	17.7
177.01874	4.9
183.04488	6.9
195.03023	3.0
195.04520	8.9
196.05354	8.4
197.06012	2.0
202.99857	2.0
207.02908	3.1
209.06065	2.8
211.04007	14.3
212.04797	4.9
213.05519	3.3
223.04019	13.0
224.04842	22.2
225.05573	21.0
227.03499	10.2
235.02507	31.2
239.03519	28.9
240.04286	43.3
241.05107	26.5
251.03448	14.3
252.04305	13.8
253.05028	5.6
255.02933	12.0
255.06671	13.8
256.03824	26.3
261.00244	3.5
267.03003	53.5
268.03769	70.1
269.04575	26.0
282.01666	3.1
283.02808	3.0
283.06061	14.9
284.03278	66.7
285.03741	4.3
295.02502	45.5
296.02182	10.5
297.03027	3.6
299.05606	63.4
300.05988	2.7
311.01904	5.6
312.02737	8.3
313.03421	7.6
327.05121	78.2
328.05228	2.4
328.86942	2.0
339.01379	4.3
340.04489	7.0
342.02225	3.1
342.06183	36.0
343.06232	1.9
345.06152	100.0
346.06424	5.0
372.07227	10.8
398.05405	2.4
426.04739	3.8
458.06494	2.4
460.06625	6.5
492.09378	42.5
536.08276	6.4
568.10938	88.3
569.11658	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	568.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54910	2.2
57.03434	5.8
59.01385	30.4
61.98836	51.0
69.36491	12.3
71.01385	18.3
73.02932	4.7
75.00898	2.0
78.95905	2.4
83.01366	3.3
85.02953	5.2
87.04546	3.3
88.98745	3.3
89.02436	7.9
93.03448	2.2
95.01363	3.0
95.05050	3.5
101.02434	9.7
103.04016	5.4
103.24837	2.1
105.03483	3.1
108.02200	5.9
109.02237	4.1
109.02962	61.9
113.02454	7.0
119.03458	3.8
120.99635	8.1
121.02944	6.1
122.06041	2.8
123.00877	3.6
131.01414	20.1
133.02963	7.0
135.04465	2.4
139.03954	2.8
147.00887	17.6
148.01643	6.6
149.02461	70.5
149.04308	3.1
157.05089	2.9
160.01646	3.1
161.01227	11.2
167.05011	2.8
175.00385	27.2
175.03949	3.0
176.01149	10.7
177.01941	4.7
183.04495	4.3
193.05208	2.7
195.04512	8.7
196.05264	4.1
197.06079	3.6
202.99896	2.8
211.04092	14.4
212.04868	3.9
213.05537	2.4
223.04027	13.4
224.04837	15.7
225.05586	23.7
226.02747	2.8
227.03465	10.2
235.02440	28.9
235.06120	3.2
239.03581	20.2
240.04318	39.4
241.05063	22.3
251.03555	16.6
252.04272	11.8
253.05081	5.5
255.02914	11.1
255.06602	10.5
256.03745	23.1
267.03000	51.7
268.03781	65.6
269.04544	27.3
281.03256	3.4
282.01779	3.0
283.02676	4.2
283.06100	15.6
284.03287	54.9
285.03897	4.3
295.02548	47.3
296.02359	10.2
297.03073	3.5
299.02383	4.3
299.05603	64.4
307.99689	2.4
311.01965	5.0
312.02744	9.8
313.03616	7.3
327.05121	72.8
340.04630	7.0
342.06198	31.6
345.06174	100.0
346.06390	4.8
372.07156	11.1
373.40530	2.7
379.12531	3.5
383.03418	2.7
426.04694	4.3
444.36624	2.5
458.06955	4.2
460.06635	4.4
492.09341	37.4
507.34174	4.6
536.08185	5.2
567.33307	7.5
568.10986	82.5
568.24561	4.0
569.11481	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	568.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47649	0.3
57.98667	0.3
59.01381	1.2
61.98835	100.0
69.15799	1.7
71.01385	0.4
76.03674	0.3
87.04528	0.6
87.85178	0.3
89.02470	0.7
101.02446	0.3
109.47021	0.3
132.86723	0.3
135.77409	0.3
143.80534	0.3
146.68970	0.3
171.10220	0.3
285.13620	0.4
567.33008	0.3
568.33014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
61.98837	100.0
71.01386	0.8
81.17906	0.2
85.02983	0.4
89.02470	0.5
101.02490	0.5
128.99258	0.3
131.03525	0.2
144.01285	0.2
149.04573	0.3
167.06435	0.3
169.06065	1.6
170.06377	1.2
175.69145	0.2
213.05128	0.8
214.05479	0.6
229.05447	0.2
247.61070	0.2
256.03638	0.2
284.03308	0.2
384.41409	0.2
508.34729	0.2
567.34076	0.5
568.26080	0.4
568.34363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98835	100.0
68.57564	0.2
69.15632	0.4
69.16045	0.9
71.01395	0.5
89.02479	0.3
101.02439	0.3
110.02626	0.2
138.95239	0.2
146.72688	0.3
170.73138	0.2
256.81995	0.2
507.27463	0.3
508.27573	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.2
59.01386	100.0
61.98837	59.1
69.18926	9.3
69.19334	19.0
71.01384	19.0
74.34619	4.2
85.02946	5.7
89.02481	5.4
90.54804	4.6
99.04543	6.0
101.02467	15.1
121.02932	7.5
125.02411	6.4
194.22238	4.7
196.09538	4.8
197.91159	4.6
212.31424	4.7
264.36639	4.8
317.03427	4.8
392.64468	4.9
424.22714	11.6
480.09518	5.6
525.30743	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	568.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50975	3.2
59.01384	100.0
61.98835	36.7
71.01393	17.2
73.02961	16.3
74.29300	3.3
76.04341	3.0
78.01116	3.3
83.01395	4.6
85.02949	7.7
89.02449	13.2
92.99820	3.9
95.01398	9.2
99.16262	2.8
101.02474	19.1
105.80802	3.0
113.02448	10.9
119.03533	5.1
119.63336	3.2
120.99316	15.1
121.02997	3.8
128.49423	3.4
135.65207	3.1
143.03462	3.4
148.98769	4.2
149.01176	11.8
149.99590	11.7
151.00381	10.8
161.04517	12.0
165.99092	14.6
176.98311	4.2
178.02756	4.7
179.05595	4.1
180.00652	4.8
181.03860	5.9
188.38290	3.8
193.98561	52.3
208.00131	23.0
270.00455	5.1
318.12830	3.3
357.04703	37.1
371.06317	7.5
374.05206	10.4
405.06894	4.6
465.28564	6.6
483.30002	21.8
525.30444	25.8
536.10205	24.2
568.13135	84.6
568.31177	6.3
569.13873	6.7
599.31989	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	569.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03461	1.0
59.01385	16.2
61.98852	4.5
67.55650	0.7
69.03470	0.8
71.01391	11.0
72.99335	0.8
73.02965	2.8
80.02920	0.7
83.01398	1.7
85.02956	5.7
86.00107	0.9
87.00872	1.7
88.01266	0.8
88.98803	0.7
89.02454	5.5
93.03455	4.1
93.79911	0.6
95.01426	1.4
96.96071	0.9
99.00893	1.2
101.02458	9.0
105.01888	0.6
108.02151	0.9
108.65502	0.6
109.94750	0.6
111.00957	1.0
113.02461	4.9
116.92882	1.7
119.03539	2.0
121.02948	4.9
122.03755	14.1
123.04597	1.5
125.95889	0.7
133.02997	3.2
134.03760	1.9
135.04552	0.9
137.02460	1.1
149.02463	19.8
149.06091	1.6
150.03238	100.0
151.03647	1.4
161.04628	1.3
162.03273	0.7
163.04118	1.3
163.42792	0.8
164.04814	5.7
165.05583	96.3
166.05949	2.0
168.00671	3.0
169.00928	1.7
180.04333	5.7
181.05045	2.5
187.07486	0.8
193.05093	1.1
193.37128	0.7
195.06641	55.8
196.07370	3.0
211.09781	5.4
226.50639	0.8
344.12747	1.2
359.14993	5.6
373.15051	21.9
481.09973	2.4
509.25702	1.3
512.49353	0.9
521.20337	48.2
522.20557	2.9
541.14966	0.8
569.13727	4.4
569.22479	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	569.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38188	0.3
53.38453	0.3
55.98383	0.3
57.03453	0.4
59.01384	13.8
61.16152	0.3
61.98833	1.6
65.49690	0.3
69.10764	2.5
71.01391	8.1
73.02952	0.8
75.00871	0.9
79.51318	0.3
83.01384	0.5
84.79913	0.4
85.02968	1.6
86.10900	0.4
87.00888	0.7
88.98838	0.8
89.02445	9.2
95.01402	0.6
97.15755	0.3
98.21880	0.7
99.00916	0.6
99.92592	8.4
101.02450	4.7
111.00777	0.4
113.02451	2.6
116.92870	100.0
117.01971	0.7
117.92862	2.5
118.02991	0.7
119.03522	3.0
134.21384	0.4
143.03482	0.8
145.02940	0.6
150.03233	1.0
161.02448	0.7
161.04517	0.5
162.03247	4.8
177.05588	3.7
179.03395	0.4
179.05620	1.2
181.05063	1.1
195.06651	0.6
196.07481	0.8
209.08284	0.6
211.09814	0.9
246.55748	0.3
260.07043	0.4
262.37830	0.4
268.84607	0.4
509.25958	0.5
521.20447	0.8
569.28918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68660	0.3
55.01881	0.9
57.03447	0.9
58.00605	0.7
59.01384	100.0
59.19677	0.4
61.98842	2.0
69.03467	0.6
69.19509	2.4
71.01386	19.3
72.99316	0.5
73.02952	23.8
74.03304	0.4
75.00877	0.9
81.03487	0.4
83.01391	6.3
85.02953	4.5
86.92164	0.4
87.00893	1.1
88.98800	0.6
89.02448	15.3
95.01400	1.4
97.02953	0.5
98.21783	0.6
99.00932	0.6
99.04534	0.5
101.02449	22.7
111.00914	0.7
113.02461	8.8
119.03509	6.9
122.39257	0.4
125.02502	1.2
131.03529	1.9
143.03491	2.8
149.04541	2.2
155.03528	0.6
161.04567	6.7
179.05624	6.3
203.05537	0.7
365.23517	0.7
407.24548	0.8
509.27429	3.4
527.28552	8.2
528.28748	0.4
569.30231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3114
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
56.75942	1.2
59.01386	100.0
61.98835	33.9
71.01401	8.9
72.99283	1.4
73.02962	3.6
75.00874	1.9
81.04582	1.2
85.02952	4.2
85.03944	1.3
87.00900	1.9
88.98829	2.3
89.02449	6.0
95.01405	1.6
99.00903	1.4
101.02444	6.0
109.02935	1.4
111.00896	2.8
113.02446	4.2
115.00140	1.4
115.10870	1.2
119.03490	3.7
121.02970	9.9
125.02412	1.2
132.12315	1.4
134.03732	2.6
135.04474	1.8
137.64778	1.2
160.04079	1.5
161.04575	2.3
165.91618	1.2
175.04048	1.7
193.05046	2.3
472.61395	1.4
509.27640	2.4
521.20734	1.5
533.07416	1.4
533.32666	2.6
569.31177	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	569.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38330	0.7
59.01385	100.0
61.98833	17.1
66.00301	0.7
71.01389	2.0
89.02469	1.1
101.02443	0.9
102.28120	0.7
112.82148	0.8
113.02493	0.9
123.91150	0.7
137.46667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38330	0.7
59.01385	100.0
61.98833	17.1
66.00301	0.7
71.01389	2.0
89.02469	1.1
101.02443	0.9
102.28120	0.7
112.82148	0.8
113.02493	0.9
123.91150	0.7
137.46667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37256	0.4
56.36092	0.4
59.01176	0.3
59.01383	3.6
68.66169	0.4
69.15764	2.1
71.01392	2.1
73.02952	0.5
80.75793	0.5
85.02958	0.8
89.02440	2.5
92.24732	0.4
92.58515	0.3
95.01404	0.4
98.21867	0.6
101.02460	2.3
113.02451	1.2
118.63794	0.3
119.03484	0.7
141.17552	0.4
161.04553	1.0
165.12857	10.4
191.14442	0.4
200.42569	0.4
247.20702	4.9
253.09288	15.7
273.18652	3.2
291.19672	100.0
292.20044	3.6
300.36978	0.4
401.25989	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51839	0.7
59.01378	4.6
61.98835	10.1
67.89458	0.6
71.01378	2.4
71.38393	0.7
71.38801	0.7
71.49529	0.7
73.02936	0.9
85.02913	1.0
89.02435	3.0
96.58860	0.7
101.02436	3.0
107.50935	0.7
113.02436	1.9
119.03514	0.8
150.10510	0.8
160.54060	0.7
161.04590	1.2
165.12856	11.7
203.51453	0.7
247.20642	6.5
253.09308	17.4
273.18521	5.3
291.19672	100.0
292.19922	4.6
429.80991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01384	42.4
61.98838	23.2
70.94985	4.7
71.01387	30.0
73.02948	8.6
82.37962	2.4
83.01422	5.8
85.02966	13.8
86.07484	2.1
87.00909	3.5
89.02438	19.2
98.22523	2.3
101.02450	32.1
113.02455	16.6
119.03522	8.5
134.37753	2.2
134.84608	2.4
143.03519	2.5
159.03009	3.8
160.10530	2.3
161.04547	27.3
173.60855	2.6
179.05623	5.4
193.43346	2.8
253.96053	2.6
365.23318	3.2
423.10785	2.6
527.28662	100.0
528.29077	5.2
570.29297	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	570.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
57.03449	4.2
59.01081	5.5
59.01380	100.0
61.98836	99.8
69.19962	13.3
69.20383	8.2
71.01385	47.1
73.02953	4.7
80.91684	5.2
85.02956	9.7
87.00877	4.9
89.02456	43.6
90.22026	3.1
94.47202	4.0
98.21880	7.3
101.02451	36.6
113.02461	25.9
119.03508	28.1
121.02969	5.3
122.94556	3.3
131.03543	3.9
135.04521	5.0
141.19128	4.1
143.03526	8.2
145.51550	3.2
145.93402	3.7
149.04680	5.1
160.04086	4.1
161.04587	17.5
171.68954	3.5
175.03978	3.9
179.05588	31.7
180.03111	3.8
193.96895	3.3
195.05376	5.6
227.03560	5.1
255.03001	18.5
283.02527	4.7
284.03323	20.9
285.04141	11.5
316.77673	3.5
360.01953	4.3
364.04785	8.0
376.05029	4.3
392.04526	25.3
408.07355	4.2
489.10464	27.6
527.28662	53.1
552.34686	4.8
555.10571	29.6
570.12836	36.2
570.28937	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	570.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91457	0.2
59.01371	1.3
61.98833	100.0
65.37992	0.2
69.26801	1.2
71.01416	0.5
73.02947	0.3
79.63572	0.2
87.00909	0.3
87.04540	0.4
96.59724	0.2
101.02477	0.5
104.45775	0.2
113.02453	0.3
113.71188	0.2
136.51688	0.2
164.28606	0.2
166.56894	0.2
253.64301	0.2
356.96191	0.2
510.27200	0.3
570.29456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
60.99316	1.2
61.98835	100.0
62.91906	0.4
63.99284	0.4
71.01398	2.2
71.44968	0.5
73.02954	0.9
82.95417	0.6
85.02966	0.9
86.08801	0.4
87.00880	0.6
88.98815	7.8
89.02466	2.1
96.96021	0.7
99.00920	0.6
101.02483	1.5
111.00893	4.0
113.02459	0.6
121.02974	0.7
150.03209	0.7
150.21834	0.4
151.04028	1.2
160.01604	0.5
160.04050	0.5
165.05632	0.7
195.06725	0.5
214.29320	0.4
256.07336	0.5
351.10760	0.5
553.22711	0.5
571.24017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	1.3
59.01388	12.2
60.18339	0.5
61.98838	100.0
65.96080	0.5
71.01393	3.6
73.02956	1.4
74.02490	2.4
85.02972	2.2
86.02493	0.8
89.02463	1.5
97.04137	0.6
99.05670	2.1
101.02457	2.7
101.09479	0.5
109.03017	0.8
111.00912	1.2
113.02466	1.5
116.92824	0.6
119.03480	0.6
128.03575	6.5
129.03862	0.6
135.05717	0.8
137.02492	0.5
143.04639	6.9
144.05037	1.0
146.04588	0.6
160.00806	1.9
161.04561	1.2
167.04691	0.8
167.06320	0.9
177.03484	1.5
178.99870	0.8
179.05766	1.0
196.95575	0.7
210.08853	2.0
211.05394	1.2
215.31200	0.5
221.06862	0.8
254.07907	2.2
255.08067	0.8
263.07761	0.8
272.08789	2.8
273.09341	1.4
288.06833	0.7
292.98615	0.6
306.07700	10.1
307.07977	4.8
313.05713	0.6
314.06952	1.0
346.09473	0.7
373.26285	0.8
508.14752	1.2
520.16321	0.6
529.29352	0.7
571.14984	1.0
571.24365	0.8
571.32904	1.5
572.13141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.8
60.01710	2.6
61.98837	100.0
71.01386	13.6
71.40220	1.9
73.02954	6.8
79.10533	1.7
82.95410	10.1
83.01395	2.0
85.02948	4.4
89.02442	8.3
99.04501	2.1
101.02470	12.3
109.03008	2.9
113.02487	3.7
131.03404	1.7
161.04541	2.0
164.22789	2.0
167.06366	12.4
171.82191	1.8
176.46346	2.0
179.05634	4.1
211.05328	6.3
238.06828	1.9
255.02788	2.3
346.09314	2.3
373.25916	2.4
471.15948	2.2
511.28375	2.1
529.29028	3.5
535.27539	5.7
571.24915	3.5
571.32391	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	572.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01380	2.4
60.01757	0.3
61.98837	100.0
63.72377	0.3
64.12168	0.3
65.73251	0.3
66.15672	0.3
69.95296	0.7
69.95657	0.5
71.01384	1.0
73.02956	0.6
78.75048	0.3
79.40112	0.3
85.02969	0.5
89.02473	0.9
101.02477	1.5
113.02486	0.4
119.73035	0.3
130.08734	0.4
132.90004	0.3
152.49782	0.3
167.06389	0.9
179.05719	0.6
179.32930	0.3
191.05627	0.3
211.05373	0.6
212.81772	0.3
237.54167	0.3
253.55058	0.3
263.07843	0.4
325.11740	0.5
418.99207	0.3
492.47131	0.4
512.27332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49268	0.2
54.74680	0.2
54.93748	0.2
59.01368	0.6
61.13197	0.2
61.98834	100.0
63.99243	0.2
70.20673	0.4
71.01372	0.3
101.02458	0.3
121.52348	0.2
148.91228	0.2
257.43359	0.2
303.12775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04814	1.0
61.98834	100.0
71.44936	1.0
79.01542	0.8
88.71619	0.9
93.14201	0.8
162.38260	1.0
253.49956	0.9
293.30029	1.1
473.32755	0.9
514.26471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67738	0.3
59.01382	6.2
61.98833	3.8
63.02399	0.5
65.00344	0.7
69.20191	1.0
69.20598	1.0
71.76977	0.3
72.99307	0.8
73.02930	0.3
82.95415	0.4
83.01392	0.8
86.07403	0.3
89.02475	0.7
93.03464	0.8
101.02441	0.5
107.01421	1.7
117.03464	0.5
132.02139	1.7
133.03029	0.4
135.00879	1.3
137.52695	0.3
141.47961	0.2
144.81963	0.3
151.00394	1.8
155.05054	0.3
156.05820	0.4
159.04472	0.7
161.02451	0.3
163.00352	0.6
167.05037	0.4
169.01411	0.3
169.06622	0.4
171.04619	0.5
179.03445	0.3
182.03705	0.6
183.04527	3.8
185.02457	1.0
185.06107	1.0
187.03981	0.8
190.99985	0.4
199.04048	0.8
200.04745	0.5
201.05545	0.4
211.04005	3.5
212.04770	0.4
213.02032	0.4
213.05511	0.7
215.03520	0.4
227.03513	68.1
227.47026	0.3
228.03903	2.7
229.05069	0.9
239.03438	1.5
241.04939	0.4
255.02997	100.0
256.03647	6.7
257.04559	0.8
268.03757	0.7
269.04590	0.6
283.02499	9.0
284.03278	99.5
285.04041	44.2
286.04446	0.9
297.04138	0.5
309.03961	0.8
339.04846	0.5
393.80539	0.3
411.07202	2.0
429.08197	0.9
453.08423	2.5
466.68079	0.3
471.09311	7.4
472.09586	0.5
513.10370	3.3
513.30682	0.7
531.11401	4.1
536.47430	0.4
573.12512	35.4
574.12738	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1254
Annotation	6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',4'',6''-tri-O-acetylglucoside)
Peak:m/z	Relative Intensity
59.01377	1.3
60.07859	0.6
61.98823	1.0
65.00362	0.6
66.25328	0.6
69.58272	0.7
69.71529	1.1
98.21951	1.3
107.01369	1.1
109.53131	0.6
133.02866	0.8
149.65778	0.6
151.00327	1.5
163.00378	0.8
182.03792	0.6
183.04543	3.1
185.02481	0.8
187.04144	0.7
211.03954	2.9
227.03520	78.1
228.03954	2.2
229.05075	0.9
239.03444	0.7
255.03008	100.0
256.03635	6.9
283.02475	1.7
284.03299	70.2
285.04031	19.3
327.16211	0.7
427.99121	0.7
453.08411	1.7
471.09341	1.5
531.11615	1.8
548.48315	0.8
573.12549	73.2
574.12854	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	573.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31748	0.5
59.01369	1.8
61.98819	1.4
63.02430	0.5
83.01390	0.6
90.16978	0.6
95.01431	0.7
107.01371	0.6
149.87201	0.6
151.00385	1.8
163.00482	0.7
183.04549	3.6
185.06136	0.8
211.04059	2.4
213.05360	0.7
227.03514	81.4
228.03944	2.4
229.04999	1.2
233.39064	0.6
239.03610	1.0
255.03004	100.0
256.03641	8.8
257.04556	0.9
283.02606	1.2
284.03281	70.6
285.04025	18.2
513.11096	0.8
531.11884	0.5
573.12524	85.8
574.12921	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	573.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54276	0.3
59.01382	4.3
61.98825	1.4
63.02407	0.4
65.00343	1.0
65.12955	0.3
70.29511	0.7
79.40054	0.3
81.36036	0.4
83.01379	1.1
83.21882	0.3
93.03492	0.5
96.79259	0.4
101.02479	0.5
107.01416	1.7
117.03490	0.8
132.02216	1.3
133.02942	0.6
135.00914	1.0
143.94432	0.4
147.00861	0.9
147.04442	0.5
148.01715	0.4
151.00392	2.7
159.04460	0.4
163.00349	0.6
167.04987	0.5
171.04550	0.8
178.99879	0.7
182.03719	0.5
183.04527	4.3
185.02554	0.6
187.04008	0.6
199.04175	1.0
200.04842	0.5
210.03189	0.4
211.04008	4.0
226.02762	0.4
227.03516	69.0
228.03961	2.4
229.05072	1.3
239.03491	1.0
241.04926	0.4
255.03001	99.2
256.03635	7.8
257.04501	0.8
268.03711	0.5
269.04532	1.2
281.04608	0.5
282.99304	0.7
283.02490	19.4
284.03281	100.0
285.04016	21.9
286.04578	0.4
293.04626	0.7
309.03918	0.7
321.03632	0.4
380.85147	0.4
411.07193	0.6
453.08289	29.3
454.08749	1.4
471.09396	3.4
508.56680	0.4
513.10339	5.9
531.11609	1.5
573.12512	35.6
574.12952	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	573.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.3
71.01391	8.2
73.01834	2.5
89.02446	14.1
101.02417	5.0
127.84982	2.8
131.03534	4.1
133.01765	3.7
138.91776	2.9
149.04565	11.1
167.10777	3.3
177.80869	2.4
180.03065	10.3
185.45216	2.8
241.03854	2.6
285.02621	6.2
300.05136	3.1
316.04715	4.4
331.06985	4.3
332.07767	5.6
494.13309	21.6
537.25586	47.7
538.26404	3.3
573.23199	100.0
574.23615	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	573.2324
Annotation	Kadsuphilol J
Peak:m/z	Relative Intensity
54.41621	1.9
59.01379	6.4
65.04533	1.7
69.29919	3.9
69.30331	6.2
69.40096	1.8
71.01376	2.5
71.48177	1.7
79.97095	1.7
80.75478	1.8
81.86658	2.0
84.52399	2.1
89.02431	4.4
98.22676	2.8
101.02431	3.3
113.02475	1.8
121.04788	1.8
133.01717	3.8
133.76361	2.1
149.04581	7.4
180.03024	7.0
226.19238	2.3
285.02740	3.9
300.05075	3.8
327.48911	2.1
331.06967	2.7
332.07849	3.7
494.13297	14.5
537.25739	15.1
573.23236	100.0
574.23804	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	574.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66206	0.7
59.01378	2.5
60.99296	0.7
61.98827	3.0
63.95495	0.7
69.03448	0.8
69.47602	2.7
71.01381	1.5
72.99311	0.7
80.96543	0.7
88.98805	3.2
89.02460	1.4
98.21851	1.6
101.02460	1.0
107.01343	1.2
125.02413	0.8
133.01738	4.1
134.02496	41.3
135.00877	3.0
148.00406	1.9
149.01210	1.4
158.03819	0.9
160.01709	0.9
180.03052	51.7
186.03319	1.5
195.05409	1.4
212.03510	2.0
214.02806	1.5
222.04054	1.9
240.03107	2.0
241.01416	1.8
241.03842	9.3
242.02234	4.5
256.06189	2.9
268.02612	1.4
284.02045	3.1
285.02811	56.6
286.03265	1.5
299.04340	5.1
300.05179	26.0
314.06741	1.5
316.04651	20.8
316.08151	1.5
317.05402	4.7
330.06216	2.0
331.06979	18.7
332.07773	79.1
333.07968	2.3
371.27582	0.7
411.16660	1.3
412.16858	1.2
492.11517	2.2
494.13101	100.0
495.13474	4.0
574.08759	21.9
575.09741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.98837	100.0
71.41991	0.2
75.64447	0.2
84.64868	0.2
107.70876	0.2
109.76714	0.3
129.91539	0.2
461.29492	0.3
496.23434	0.2
515.16681	0.3
544.11932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
61.98837	100.0
71.41991	0.2
75.64447	0.2
84.64868	0.2
107.70876	0.2
109.76714	0.3
129.91539	0.2
461.29492	0.3
496.23434	0.2
515.16681	0.3
544.11932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98202	0.5
59.01384	100.0
59.13198	0.4
60.01712	0.6
69.03465	1.4
69.36578	2.5
69.47122	0.4
77.55590	0.4
89.02469	2.1
93.02773	0.4
96.96055	0.6
97.50014	0.5
98.22660	0.6
100.95814	0.5
106.00650	0.6
123.00886	0.5
134.02536	1.7
134.41579	0.5
149.04686	0.5
180.03036	3.7
191.05525	0.6
214.96565	6.6
223.48549	0.4
285.02832	2.2
287.27832	0.5
300.05151	0.8
316.04742	0.7
331.06873	1.0
332.07620	2.4
337.13608	0.5
390.23102	1.0
392.20850	2.7
404.20944	1.4
418.22034	0.5
446.21884	8.2
464.23026	2.4
494.13089	3.7
538.25891	0.5
547.87274	0.6
574.08606	5.0
574.29077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
59.01382	12.0
69.03471	0.4
69.31927	1.7
70.01770	0.3
70.20264	0.3
71.01385	2.9
72.99322	0.8
73.02945	4.4
85.02949	3.7
87.00901	1.0
89.02459	3.3
90.33728	0.3
97.02929	0.3
98.21927	0.5
99.04539	0.5
101.02454	5.2
103.04016	2.0
110.59997	0.3
115.03999	1.2
119.03521	1.0
121.02965	100.0
122.03284	1.6
125.02444	1.7
127.04065	0.3
128.88702	0.3
131.03520	1.1
143.03522	0.8
145.05092	0.6
163.06140	5.2
205.07144	2.2
207.06685	2.0
307.10391	1.0
515.18079	0.8
575.24310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
59.01385	11.6
60.51098	0.5
61.98836	5.1
69.61431	0.7
71.01385	4.8
73.02945	2.5
75.00825	0.5
79.95743	6.2
83.01364	0.8
85.02954	1.9
86.77346	0.5
87.00881	1.2
89.02454	3.6
95.95242	0.9
96.96020	90.3
99.00966	0.6
99.04528	1.0
101.02448	3.9
105.81931	0.5
106.04305	0.7
111.00871	0.7
111.50417	0.6
113.02451	2.4
116.92899	0.6
119.03504	0.6
119.05109	1.0
121.02963	8.0
122.03323	1.3
125.02456	2.0
131.03506	0.5
135.04518	1.3
138.12093	0.6
143.03488	1.2
149.04520	0.7
161.04454	0.6
164.10840	4.1
165.11147	2.1
175.04041	0.7
193.04782	0.6
263.13202	6.6
281.14246	2.1
330.73230	0.6
355.56500	0.6
413.21951	0.6
443.19452	4.7
485.20721	1.4
486.21671	0.7
575.23767	100.0
575.30609	3.7
576.24286	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	575.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.00560	1.2
59.01384	100.0
61.98822	2.2
69.03483	1.2
71.01388	21.3
72.99319	3.5
73.02953	38.8
83.01394	1.6
85.02947	10.2
87.00883	9.5
87.04521	4.1
87.22536	0.9
89.02450	27.3
98.22639	3.4
99.04508	1.6
101.02451	58.1
103.04015	23.8
113.02467	2.5
115.04008	10.4
119.03513	13.3
121.02971	1.3
125.02428	3.3
127.04026	2.2
131.03525	8.2
134.97316	1.0
137.09735	2.2
143.03528	10.5
145.05099	5.4
153.12685	0.9
163.06133	90.2
191.05664	9.9
199.79965	0.9
205.07185	20.7
210.05392	1.1
229.01416	1.9
235.04192	1.0
235.08156	2.2
253.04745	1.7
263.03568	1.1
265.09293	5.6
270.02341	1.3
271.02869	1.1
271.05722	1.1
281.04630	5.7
293.04449	1.3
296.06912	3.2
297.07733	1.4
303.05103	1.1
309.03955	2.1
311.05798	1.2
311.09180	2.3
320.81729	1.1
325.11420	1.3
339.08795	1.5
383.07715	19.4
539.34436	1.5
575.31720	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.5
61.98832	0.5
62.22709	0.5
65.60847	0.5
69.23415	2.0
71.01383	3.3
73.02925	0.7
85.02975	0.6
89.02449	1.9
101.02447	2.3
112.01882	0.6
113.02454	1.0
115.77112	0.5
119.03484	1.0
161.04539	1.1
175.24480	0.5
235.08328	1.2
253.09288	12.3
279.23303	100.0
280.23663	2.9
298.77847	0.5
575.35455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89190	0.4
57.03443	0.6
59.01385	52.0
61.98820	1.5
66.49699	0.4
69.20325	2.6
71.01405	0.8
75.46069	0.4
81.30666	0.4
85.02948	0.5
89.02454	0.7
98.22661	0.6
99.04517	0.9
101.02438	1.2
107.50960	0.4
134.03732	0.4
161.04506	0.5
181.21568	0.5
224.04832	1.3
238.06444	0.7
239.07166	1.6
251.03497	0.5
251.18939	0.4
252.04256	4.7
253.08658	0.7
266.05963	0.5
267.06656	20.0
279.06628	0.9
281.06732	4.0
282.09027	6.9
283.06012	0.8
284.06689	0.7
297.11429	2.1
309.06451	8.5
309.10428	0.5
309.11514	0.5
311.05539	0.8
312.05972	1.8
324.08798	44.4
325.09067	1.6
339.11130	48.5
340.11633	2.0
341.06741	0.4
354.13492	100.0
355.13809	3.0
432.10162	0.6
576.14069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	3.5
59.01386	100.0
61.62790	0.6
61.98836	18.9
71.01384	6.6
73.02972	2.3
83.01419	1.2
85.02972	2.6
89.02470	2.7
96.96037	1.8
99.04546	1.8
101.02465	4.1
111.00929	1.7
113.02505	1.9
116.66257	0.8
116.92889	1.7
119.03533	1.8
121.02969	1.7
122.03365	1.0
125.02493	1.4
128.03522	0.8
134.03769	5.3
144.18709	0.7
145.02963	0.8
149.06171	0.9
161.04562	1.5
178.02747	1.1
191.05586	1.3
193.05118	3.6
194.05553	1.0
211.06183	1.2
216.04430	0.7
229.01465	2.2
244.03784	6.9
259.06128	10.5
260.89648	0.7
272.06873	0.8
274.08533	8.9
281.07141	1.4
291.11606	0.8
309.06525	7.3
324.08789	21.2
339.11148	14.7
354.13504	50.8
355.13983	2.3
415.17935	7.5
459.13516	0.9
460.13715	1.0
540.34796	1.9
576.20886	4.2
576.32239	2.3
577.23132	10.6
593.57147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.5
59.01385	84.6
61.98859	3.7
69.03468	4.0
69.71464	7.9
71.01389	48.0
73.02961	20.8
83.01398	5.8
85.02963	13.1
87.00868	3.0
88.84346	2.3
89.02454	41.3
97.03014	3.0
99.00913	5.5
99.04551	4.9
101.02457	43.6
103.04019	14.9
106.33050	2.1
111.00906	2.3
113.02509	11.4
119.03525	16.4
121.08716	2.1
123.08169	11.0
124.06944	2.3
125.02461	14.8
131.03552	8.7
137.09746	6.1
139.81645	2.1
143.03523	7.5
145.05078	3.1
149.04555	13.8
161.04593	9.7
163.06166	22.6
163.10027	2.2
163.11270	12.1
179.05539	3.9
179.68770	2.1
181.05037	3.8
182.05336	3.0
189.12865	19.5
191.05746	3.5
205.07106	5.6
207.13899	22.2
225.15056	3.2
247.08194	3.5
280.09387	2.3
307.10452	12.5
379.16107	6.5
387.20084	11.2
511.02258	2.5
517.23425	3.6
532.20239	3.3
533.26117	100.0
534.26135	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	576.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55033	0.6
61.98838	100.0
71.01388	2.1
78.98624	1.9
79.95762	3.1
80.00849	0.7
80.96526	20.3
85.02975	1.3
87.00890	1.1
94.98092	3.9
101.02459	0.8
119.58135	0.7
122.97597	0.8
125.02493	0.9
125.35881	0.7
134.97656	0.9
148.99136	1.7
152.98724	1.5
164.98705	2.8
191.59102	0.7
225.00739	4.1
357.37601	0.7
577.26923	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	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58699	0.2
56.61763	0.2
58.83186	0.2
59.01399	0.2
61.98835	100.0
69.19028	0.7
69.19421	0.4
71.01389	0.4
74.81836	0.2
78.98602	0.6
79.95739	0.9
80.96523	5.5
85.02962	0.2
87.00905	0.3
92.02904	0.2
94.98086	1.1
95.41797	0.2
100.51690	0.2
106.98079	0.3
110.71054	0.2
122.97562	0.3
125.02517	0.3
130.44807	0.2
134.18326	0.2
134.97620	0.5
148.99139	0.5
152.98715	0.3
164.98645	0.7
225.00752	1.1
277.21790	0.3
278.22073	0.4
299.04361	0.3
331.51672	0.2
384.43851	0.2
410.59766	0.2
460.82605	0.2
507.96161	0.2
577.26898	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	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	21.6
61.98811	1.4
78.95915	6.3
95.17168	1.4
98.21822	2.6
152.99574	1.4
153.27219	1.2
168.04295	1.6
182.39597	1.3
188.03462	1.2
224.06944	1.4
242.08121	2.7
277.21753	100.0
278.22104	2.7
502.29498	35.3
503.30029	2.0
522.90063	1.6
550.72778	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14944	1.6
59.01385	24.2
60.97435	1.7
61.98822	2.0
64.02876	1.7
78.95921	24.1
81.84111	1.9
89.72490	1.8
93.73518	1.8
112.75497	1.9
136.56854	2.2
152.99615	6.0
168.04347	4.2
189.74629	2.0
224.06921	10.3
233.01936	2.0
242.08095	2.5
277.21747	100.0
375.58893	2.5
451.95850	2.0
502.29440	80.2
503.29745	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58973	1.3
57.03442	2.7
59.01385	24.5
61.98838	8.3
63.93017	1.3
71.01389	11.0
73.02954	3.9
81.31482	1.3
82.95412	1.5
85.02951	5.5
89.02439	6.9
96.96011	2.5
98.95605	1.5
99.00903	3.0
99.04552	1.7
101.02467	6.4
107.98174	1.4
111.00938	1.8
113.02442	6.4
117.03432	2.0
121.02154	2.3
121.02974	32.1
121.03849	1.8
132.02171	5.9
133.02957	5.1
134.03752	40.5
135.04503	4.5
147.04520	4.8
148.05289	6.0
149.06068	9.9
158.03807	1.5
160.01663	26.8
161.02438	5.2
161.04575	2.5
173.06120	2.6
174.03233	1.5
175.04013	37.8
176.04762	15.4
177.01976	3.0
178.02733	6.0
191.05505	2.2
191.07141	24.4
192.04387	2.8
192.07712	1.3
193.05067	55.5
194.05333	1.6
207.06665	12.3
215.12581	1.3
215.41156	1.5
217.05170	2.7
220.03770	3.3
235.06125	100.0
236.06453	2.3
265.07178	41.6
269.04636	2.4
278.44971	1.3
279.07214	2.6
285.36703	1.3
295.08258	46.5
296.08286	1.7
328.55478	1.5
337.09372	2.6
355.10422	12.2
401.10892	2.3
411.12677	2.7
415.17789	1.6
455.11859	9.6
468.32755	1.5
517.30261	1.8
577.15466	4.8
577.23932	5.2
577.32019	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58973	1.3
57.03442	2.7
59.01385	24.5
61.98838	8.3
63.93017	1.3
71.01389	11.0
73.02954	3.9
81.31482	1.3
82.95412	1.5
85.02951	5.5
89.02439	6.9
96.96011	2.5
98.95605	1.5
99.00903	3.0
99.04552	1.7
101.02467	6.4
107.98174	1.4
111.00938	1.8
113.02442	6.4
117.03432	2.0
121.02154	2.3
121.02974	32.1
121.03849	1.8
132.02171	5.9
133.02957	5.1
134.03752	40.5
135.04503	4.5
147.04520	4.8
148.05289	6.0
149.06068	9.9
158.03807	1.5
160.01663	26.8
161.02438	5.2
161.04575	2.5
173.06120	2.6
174.03233	1.5
175.04013	37.8
176.04762	15.4
177.01976	3.0
178.02733	6.0
191.05505	2.2
191.07141	24.4
192.04387	2.8
192.07712	1.3
193.05067	55.5
194.05333	1.6
207.06665	12.3
215.12581	1.3
215.41156	1.5
217.05170	2.7
220.03770	3.3
235.06125	100.0
236.06453	2.3
265.07178	41.6
269.04636	2.4
278.44971	1.3
279.07214	2.6
285.36703	1.3
295.08258	46.5
296.08286	1.7
328.55478	1.5
337.09372	2.6
355.10422	12.2
401.10892	2.3
411.12677	2.7
415.17789	1.6
455.11859	9.6
468.32755	1.5
517.30261	1.8
577.15466	4.8
577.23932	5.2
577.32019	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1566
Annotation	Vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
59.01381	29.8
60.59316	0.5
69.12268	1.9
69.12689	1.6
71.01385	9.7
72.99297	0.5
73.02954	3.6
83.01385	0.7
84.39616	0.6
85.02956	6.3
87.00903	0.8
89.02447	10.5
96.96049	0.8
97.12332	0.5
99.00890	0.7
101.02448	5.1
103.04065	0.9
111.00892	7.2
112.01212	1.1
113.02470	1.3
117.03466	10.3
117.04288	0.8
119.03480	1.2
119.05025	0.7
121.02977	1.4
125.02461	1.0
131.01407	1.7
131.03496	2.4
133.02977	0.8
135.04543	1.1
137.02496	0.9
143.03452	0.6
149.04562	6.5
161.02440	2.1
161.04518	0.7
163.00365	0.6
163.04027	1.1
173.02441	5.5
175.00385	10.1
175.04082	1.0
179.05713	0.6
191.05676	1.5
237.05705	0.5
249.05661	1.4
254.94244	0.5
269.04596	2.6
281.04495	2.8
282.05322	2.9
283.06097	5.3
293.04568	100.0
294.04922	3.1
295.05917	1.1
311.05646	10.5
314.04156	0.9
323.05576	3.6
335.05542	0.8
341.06360	2.7
344.38443	0.5
349.17337	0.5
353.06744	1.6
413.08810	53.4
414.09180	2.6
457.11316	4.2
501.90005	0.5
517.22754	0.8
533.29669	0.5
534.26373	1.1
577.15570	38.3
578.15845	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	577.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	41.1
61.98838	30.9
66.84315	4.4
69.27109	3.5
70.51386	3.7
71.01389	12.5
85.02982	3.9
88.98801	7.3
89.02462	6.2
91.15990	4.1
96.96026	6.9
101.02468	6.8
109.03009	4.3
111.00876	8.5
113.02451	6.3
125.03481	4.1
134.03812	25.7
137.02400	6.3
147.04602	7.1
148.05344	4.9
149.06136	11.4
160.01680	16.2
163.04042	4.1
166.10060	3.9
175.02733	4.1
175.03975	23.4
176.04831	16.7
177.01909	5.9
178.02740	6.7
179.05618	4.9
191.07133	29.8
192.35019	4.2
193.05078	39.6
217.05017	8.1
235.06122	53.1
265.07187	18.2
269.03488	11.4
295.08228	100.0
355.10321	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	577.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16670	11.0
59.01366	35.4
61.98826	18.8
69.28688	63.4
78.95889	15.2
108.78822	9.6
120.25943	11.9
141.42879	10.5
143.19911	9.8
155.57860	10.2
185.11865	14.1
247.13921	12.2
253.09467	12.6
260.57907	11.7
264.48428	12.4
269.94937	10.7
287.16568	34.1
305.17627	100.0
472.19437	12.9
541.26776	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97925	23.1
59.01385	38.9
61.98838	37.9
69.10381	100.0
69.10796	50.7
98.21894	61.6
101.04076	24.2
112.87899	24.4
154.65320	26.1
165.05086	25.3
191.05608	58.6
193.46281	22.5
211.66986	23.0
232.71536	22.2
278.55658	26.5
305.17618	54.4
542.85840	27.6
577.23541	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59594	1.6
57.03438	2.4
58.21687	2.0
59.01384	92.5
60.07458	1.7
61.98811	2.3
69.59495	7.7
71.01386	57.5
73.02956	11.3
83.01395	9.6
85.02956	6.3
85.33236	1.6
87.00888	4.8
88.32417	1.5
89.02451	87.0
94.98097	3.8
96.96014	1.6
99.00907	2.7
99.04530	3.3
101.02450	54.6
111.00834	1.8
113.02475	10.4
119.03499	10.0
121.02959	1.9
125.02493	2.7
131.03511	28.6
143.03546	3.5
149.04567	100.0
153.05649	1.7
161.04536	5.0
180.03026	3.7
191.05635	17.5
235.11694	1.7
251.07709	2.5
285.02908	1.7
311.09726	4.2
319.14056	2.4
332.07858	2.5
333.08038	3.4
334.08450	2.0
361.15082	2.2
379.16025	13.9
495.13516	5.6
497.13953	2.4
537.30945	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	577.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56895	2.1
55.01886	2.7
55.27539	2.7
56.45038	2.0
57.03441	2.5
57.10137	2.3
58.00571	2.4
59.01385	100.0
61.98846	3.6
62.16018	1.8
66.23058	2.4
67.17926	2.1
69.05451	11.7
69.05859	3.9
71.01389	64.9
71.01789	3.2
72.99287	2.4
73.02959	15.8
83.01392	3.4
85.02957	23.6
87.00877	4.6
89.02455	92.3
89.83699	2.4
92.27493	2.1
93.03462	3.6
96.96022	5.9
97.02965	2.3
99.00901	14.1
101.02454	38.9
111.00890	24.9
112.01260	5.5
113.02471	15.5
117.03497	8.9
119.03514	11.3
119.05056	2.4
121.02968	6.9
125.02467	19.2
131.03531	20.4
135.04523	3.0
137.02457	4.9
143.03462	2.8
149.04568	60.6
159.04581	2.5
161.04648	4.3
163.11322	3.2
175.00407	3.9
179.05679	3.6
191.05641	15.3
193.05096	2.5
205.12315	5.4
251.07639	2.5
257.77948	2.1
269.04700	2.9
275.07791	3.3
283.06482	2.9
293.04623	47.0
293.08743	6.3
297.07687	7.1
311.05594	4.4
325.07300	3.1
353.06674	9.4
383.07889	5.8
388.90784	2.5
413.08801	25.6
454.60464	2.3
457.11749	5.2
517.22510	4.8
533.29651	3.5
534.26782	2.2
545.18182	2.5
577.14667	36.2
578.15118	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	577.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24636	1.6
51.57553	1.9
53.20643	1.4
53.53697	1.3
55.32267	1.4
57.03449	2.2
58.00600	1.9
59.01382	92.4
64.90984	1.5
69.39260	3.1
69.39648	3.9
71.01386	50.5
73.02954	12.3
85.02958	6.7
87.00874	4.3
89.02449	92.1
99.04538	1.7
101.02447	43.9
111.00912	1.9
113.02447	12.1
119.03506	4.9
121.02953	4.8
125.02444	3.8
131.03516	37.5
143.03459	2.4
149.04565	100.0
161.04568	2.3
181.60945	1.8
191.05684	17.4
202.71970	1.9
221.06639	3.1
249.90262	1.7
251.07858	2.6
258.55472	1.5
262.44266	1.7
271.66147	1.9
293.08792	6.0
306.46588	1.8
311.09790	6.8
517.22992	7.9
553.32440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91903	0.5
59.01376	1.2
61.98827	2.1
63.96236	1.1
71.01389	8.3
72.33801	0.5
73.02955	1.5
78.98604	6.2
79.95741	9.5
80.96526	71.5
85.02962	2.5
87.00898	3.4
94.98099	15.7
96.51997	0.6
96.96059	1.0
97.02955	2.7
99.00851	0.7
101.02440	2.3
106.98103	3.2
122.96792	0.7
122.97581	3.1
125.02477	3.1
126.01912	0.6
127.04078	0.8
134.97624	4.3
136.99190	1.3
148.99171	6.8
152.98656	6.1
164.97299	0.8
164.98651	11.2
206.99667	1.6
225.00764	14.2
277.21756	1.6
299.04468	2.9
440.97510	0.6
499.60825	0.6
577.26923	100.0
578.27435	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.1
59.01382	100.0
61.98838	8.6
69.03458	1.9
71.01385	47.7
72.99323	5.8
73.02950	34.5
82.95424	6.6
83.01383	3.9
85.02957	14.2
87.00867	8.5
87.04530	3.2
89.02454	62.7
89.23318	1.8
89.26366	1.5
95.01429	1.6
95.29691	1.6
96.96022	6.6
97.02995	1.6
99.00883	9.3
99.04534	2.4
101.02448	59.9
103.04019	15.5
108.39737	1.8
111.00885	3.2
113.02463	8.1
115.04025	5.9
119.03530	14.5
125.02446	4.4
131.03548	15.2
134.03740	1.9
143.03510	7.1
145.03030	2.1
145.05078	7.3
145.53816	1.6
149.04562	34.5
161.04610	2.9
163.06131	72.7
179.03552	1.7
179.05600	2.0
191.05638	7.3
193.05069	1.9
205.07178	17.3
205.12366	2.5
221.06718	2.9
239.48468	1.8
251.07770	3.1
265.09332	6.2
415.17990	7.8
459.62000	1.6
514.86493	2.0
517.23010	9.0
577.22186	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	577.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57378	0.9
57.03457	6.0
58.00591	2.1
59.01383	100.0
61.98833	37.9
66.15984	0.9
69.84022	3.4
69.84372	1.2
71.01384	31.0
71.64765	0.9
72.99313	4.2
73.02950	27.7
75.00874	1.6
76.23312	1.0
81.03461	1.2
81.44637	0.9
83.01398	4.2
85.02954	14.8
87.00888	6.7
87.04507	3.4
89.02448	31.4
94.10232	0.9
95.01405	2.2
97.02956	2.6
99.00882	2.4
99.04530	6.0
101.02450	59.2
103.04014	18.6
113.02470	8.6
115.04019	7.0
119.03510	13.5
121.02972	13.7
121.03775	1.9
122.03301	4.9
122.40540	0.8
123.03573	1.3
125.02476	5.6
127.03995	1.3
131.03525	8.5
143.03497	11.8
145.05101	5.4
149.04541	1.4
159.03070	1.4
161.04550	3.8
163.06139	79.3
164.06487	1.3
179.05582	2.2
205.07156	22.7
206.00227	1.1
235.08333	1.5
265.09320	8.0
325.11450	1.6
371.20670	6.1
415.23105	1.6
433.24304	2.7
517.26398	16.4
518.27521	1.0
577.28497	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	577.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09982	0.8
55.01874	3.1
55.38926	0.9
57.03452	68.6
58.00591	1.0
59.01383	100.0
61.98836	11.0
62.15973	0.8
69.03476	1.3
71.01385	42.5
71.05061	0.9
71.45372	0.9
72.99313	1.7
73.02948	14.4
75.00858	1.5
81.03463	2.3
82.95447	0.9
83.01415	5.1
83.01835	1.1
85.02958	13.9
86.03287	1.0
87.00877	5.6
87.04523	1.6
89.02451	32.2
91.20439	0.8
95.01405	4.2
97.02978	2.0
99.00885	2.3
99.04526	52.3
101.02451	38.8
101.06075	2.1
111.00908	2.0
113.02459	20.6
119.03517	13.3
119.05044	1.5
121.02977	5.5
122.03286	1.5
124.43781	0.8
125.02457	30.1
131.03510	2.4
134.03717	1.2
135.04510	2.6
136.04886	0.8
143.03514	10.0
149.00995	1.1
149.04559	2.0
155.07150	1.0
158.85802	0.8
160.01688	1.1
161.02390	0.8
161.04521	7.6
163.06148	1.8
164.10814	3.3
165.11171	2.0
175.03996	1.8
179.03496	1.6
179.05629	10.2
191.05617	1.1
193.05019	1.8
215.23082	0.8
226.78770	0.8
235.05991	1.1
242.52794	0.8
253.05074	4.8
271.19043	3.7
315.18030	1.6
327.17975	1.2
343.17587	1.1
397.22427	1.5
415.18494	0.9
415.23337	24.3
416.23770	2.3
433.24435	58.4
434.24768	3.1
475.25842	7.0
515.28113	1.1
517.26202	6.7
535.27148	4.7
539.34149	1.7
577.28802	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01896	0.9
57.01687	0.9
59.01382	12.3
59.72817	0.8
62.06595	0.9
67.62975	1.0
70.84926	1.6
71.01389	2.2
73.26363	1.0
89.02455	2.1
101.02444	2.2
112.29143	1.0
113.02472	2.4
130.16985	0.9
161.04576	1.3
235.08183	2.8
253.09315	12.4
281.24890	100.0
282.25128	2.9
299.04623	1.1
442.82654	0.9
470.32605	1.1
502.06128	1.0
594.11719	1.1
599.43408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03453	4.1
58.03794	0.3
59.01385	11.8
60.01731	0.4
61.98835	100.0
64.96675	0.2
66.55235	0.3
69.30833	1.0
71.01385	5.2
72.99326	0.5
73.02954	2.0
75.00887	1.1
82.59162	0.3
83.01410	0.6
85.02967	1.9
87.00880	0.3
87.04544	0.3
89.02448	4.4
90.02799	0.5
90.37321	0.2
95.01408	0.4
99.00883	0.3
99.04531	4.6
100.04835	0.4
101.02451	5.3
102.02817	0.8
103.04008	0.6
113.02461	1.8
119.03477	1.3
121.02972	2.1
122.03349	1.0
122.32185	0.3
125.02460	2.1
126.02821	0.3
131.03543	0.7
143.03537	0.3
145.05115	0.3
161.04657	1.1
163.06071	1.4
164.06450	0.3
174.03787	0.3
179.05620	0.6
205.07140	0.5
218.55241	0.3
361.50607	0.3
371.20908	0.3
415.23666	1.2
416.23898	1.1
417.25177	0.4
433.24530	1.3
434.24963	1.0
449.91132	0.3
476.25882	0.4
480.29651	0.3
517.26672	1.2
518.26801	2.1
577.28625	0.4
578.28607	1.3
579.30389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01384	5.2
60.01716	0.2
61.98833	100.0
64.91563	0.2
66.83107	0.2
69.17590	1.3
69.21382	0.2
71.01382	2.6
71.81348	0.2
73.01946	0.2
73.02939	0.9
75.00874	0.2
83.01397	0.4
85.02972	0.8
87.00886	0.4
89.02454	2.1
98.21896	0.4
99.04501	1.1
100.04905	0.3
101.02457	2.0
103.04047	0.2
113.02476	0.9
119.03529	0.8
121.02991	0.5
125.02475	0.8
143.03445	0.3
155.86696	0.2
161.02516	0.2
161.04591	0.4
163.06190	0.5
175.04103	0.3
205.92383	0.2
217.80733	0.2
224.53548	0.2
415.23471	0.6
416.23721	0.7
417.24976	0.3
433.24380	1.1
434.24686	1.4
578.29425	0.5
579.30676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40345	0.8
60.10109	0.9
61.98832	100.0
69.49310	1.9
69.49694	2.3
71.01389	1.3
78.98621	1.2
79.95765	2.8
80.96521	17.8
94.98098	3.6
100.07964	0.9
101.02476	1.2
140.55220	0.8
148.99207	1.7
152.98682	1.0
164.98625	2.0
169.12248	0.9
171.51077	0.9
225.00798	3.1
315.61240	1.0
449.11838	1.0
491.79074	0.9
579.28418	22.4
597.79187	1.0
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
57.03443	6.6
59.01384	100.0
61.98833	52.8
71.01384	33.4
73.02939	13.9
78.16518	2.8
78.91908	3.7
80.91663	3.3
83.01403	7.1
85.02954	8.8
88.98832	5.8
89.02448	13.1
95.01424	2.7
99.00869	4.1
100.11018	3.1
101.02446	22.7
101.68343	2.9
104.44029	2.9
113.02423	13.1
119.03466	5.6
125.02481	5.9
149.04480	3.9
160.01682	4.2
161.04594	8.1
193.05063	8.7
235.06105	4.5
236.06488	5.7
296.08810	4.3
311.08969	3.6
330.26474	3.4
466.99176	3.6
473.99115	3.3
474.30798	61.8
475.30972	6.6
492.31992	17.4
501.71094	3.2
578.31854	9.7
579.26605	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	579.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23771	1.5
57.03440	2.2
59.01382	30.2
60.99310	16.2
61.98837	13.6
69.03471	1.8
69.52068	5.9
69.52419	2.3
71.01392	15.1
73.02949	4.4
83.01430	2.5
85.02981	7.2
88.98814	100.0
89.02437	10.5
95.94958	1.4
101.02443	8.6
102.05630	2.9
103.97546	1.4
111.00893	2.3
113.02464	6.2
119.03515	1.8
121.02981	2.0
128.03551	3.9
131.03511	2.0
136.75381	1.8
149.04564	1.8
160.01617	2.5
161.04517	1.7
175.03970	2.1
193.05038	3.3
330.92099	1.5
429.21259	2.5
451.22586	1.8
474.72644	1.6
519.32025	4.3
545.77472	1.4
578.31622	4.6
579.33893	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	579.1374
Annotation	6-Hydroxyluteolin 7-arabinoside-4'-rhamnoside
Peak:m/z	Relative Intensity
55.01863	2.6
57.03435	2.7
59.01382	63.9
60.01706	2.9
61.98833	25.1
69.03458	1.7
70.33799	1.5
71.01383	49.3
72.01717	1.6
73.01821	1.6
73.02950	10.7
73.52017	1.3
75.00878	2.4
83.01371	4.4
85.02954	14.8
87.00883	4.1
89.02450	51.8
90.02779	3.8
91.02857	2.0
95.01410	2.3
96.96016	3.8
97.02939	2.7
99.00867	4.4
101.02449	26.6
102.02763	1.8
105.01950	2.2
106.42245	1.4
107.01388	1.7
108.02155	1.5
108.42650	1.3
109.02962	2.7
111.00898	7.7
113.02462	10.5
115.04016	2.1
119.03488	5.7
121.02959	15.7
122.03294	3.2
125.02429	5.6
129.01945	3.3
131.03517	12.6
132.03870	1.4
134.03760	2.4
137.02419	2.2
143.03574	2.6
149.04570	24.1
150.04926	2.6
150.09204	2.5
151.00349	5.5
151.03941	1.7
153.01933	2.6
156.80934	1.4
159.02924	2.2
161.04555	3.9
163.06061	1.8
165.05444	2.6
175.04001	1.7
179.05609	2.0
180.04422	1.5
191.01941	2.6
191.05649	7.1
193.04965	1.7
199.04010	2.8
207.13835	3.2
223.13287	2.0
224.13763	2.5
227.03381	3.7
233.06581	1.5
255.02943	3.8
263.95834	1.7
270.99573	2.5
271.02496	52.3
272.02896	1.8
284.03290	2.6
285.04025	4.1
293.08792	6.6
294.08936	2.8
295.09128	2.5
299.01981	100.0
299.99637	1.5
300.02634	8.0
301.03516	33.9
327.12506	2.4
369.18954	3.3
387.10852	4.5
387.20053	7.7
417.15579	3.1
433.07864	10.3
446.08585	35.6
447.03537	2.6
447.09253	25.1
501.23209	4.2
515.24689	1.8
519.24457	67.2
520.24646	4.3
523.83600	1.5
579.13544	67.0
579.24847	6.3
580.13855	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	579.136
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
52.61794	0.3
57.03466	0.6
59.01382	6.8
61.98850	1.4
69.19369	2.4
71.01384	4.3
73.02974	1.1
73.16174	0.4
78.95885	0.5
83.01414	0.9
85.03002	1.1
87.00890	0.5
88.18800	0.4
88.98832	0.9
89.02448	5.2
93.03486	0.9
96.96033	3.9
96.97016	0.4
99.04543	0.7
101.02460	2.6
104.70815	0.4
107.01421	0.8
111.00920	1.2
113.02491	1.0
117.03507	1.4
121.02988	0.7
131.03519	1.6
134.03893	0.4
135.04620	0.4
149.04564	4.9
151.00423	1.9
155.05089	0.5
159.04553	1.0
162.03194	0.7
167.10793	0.5
169.06639	0.4
183.04517	3.7
185.02528	0.4
185.06175	0.5
187.03979	0.7
191.05623	1.3
211.03995	2.9
213.05629	0.8
227.03522	3.8
229.04890	0.4
239.03517	0.6
255.03000	52.9
256.03406	2.4
269.04742	0.6
283.02496	100.0
284.03082	7.2
285.04056	54.0
286.04413	1.9
298.04834	0.5
299.05600	0.4
313.10791	0.4
314.15079	0.4
327.05057	2.3
327.12518	0.5
337.09192	0.5
357.11960	0.5
417.08298	15.3
418.08472	0.5
446.08554	26.5
447.09293	14.7
447.15692	0.5
448.09460	0.5
459.09088	1.0
519.24622	4.3
579.13446	53.9
580.13831	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1361
Annotation	6-Hydroxyapigenin 7-xylosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
56.04264	1.5
57.03437	2.1
59.01385	100.0
70.03552	2.9
70.03902	2.4
71.01389	51.7
73.02956	12.6
75.00882	10.3
83.01371	2.7
85.02956	9.9
86.49332	1.6
87.00875	5.3
89.02454	77.9
93.82492	1.4
97.02919	2.0
98.21886	1.4
101.01798	2.8
101.02451	45.2
111.00903	1.7
113.02457	12.6
119.03484	5.8
125.02409	2.8
126.90425	15.1
129.23608	1.5
131.03516	31.1
135.04520	3.9
140.72260	1.4
149.04565	85.4
150.05135	1.4
161.02425	2.2
161.04549	4.7
163.00343	2.8
165.05559	1.8
175.03981	1.5
179.03484	4.1
185.06058	3.4
187.03957	1.7
191.05643	12.6
193.05177	2.4
195.04562	2.1
211.04057	1.8
215.07767	1.5
217.49814	1.6
227.03511	22.2
229.05067	11.5
241.05280	1.4
249.62067	1.8
255.02985	38.6
255.05574	3.2
256.03549	4.0
257.04440	5.2
283.02420	1.9
284.03271	46.0
285.04065	94.8
286.04385	2.7
297.07523	2.5
309.07767	1.9
311.09769	4.1
327.12283	5.6
339.12277	4.5
367.12549	2.2
387.20132	2.9
446.08722	1.5
519.24481	24.4
579.13550	72.6
580.13538	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	579.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
57.03435	2.7
59.01382	63.9
60.01706	2.9
61.98833	25.1
69.03458	1.7
70.33799	1.5
71.01383	49.3
72.01717	1.6
73.01821	1.6
73.02950	10.7
73.52017	1.3
75.00878	2.4
83.01371	4.4
85.02954	14.8
87.00883	4.1
89.02450	51.8
90.02779	3.8
91.02857	2.0
95.01410	2.3
96.96016	3.8
97.02939	2.7
99.00867	4.4
101.02449	26.6
102.02763	1.8
105.01950	2.2
106.42245	1.4
107.01388	1.7
108.02155	1.5
108.42650	1.3
109.02962	2.7
111.00898	7.7
113.02462	10.5
115.04016	2.1
119.03488	5.7
121.02959	15.7
122.03294	3.2
125.02429	5.6
129.01945	3.3
131.03517	12.6
132.03870	1.4
134.03760	2.4
137.02419	2.2
143.03574	2.6
149.04570	24.1
150.04926	2.6
150.09204	2.5
151.00349	5.5
151.03941	1.7
153.01933	2.6
156.80934	1.4
159.02924	2.2
161.04555	3.9
163.06061	1.8
165.05444	2.6
175.04001	1.7
179.05609	2.0
180.04422	1.5
191.01941	2.6
191.05649	7.1
193.04965	1.7
199.04010	2.8
207.13835	3.2
223.13287	2.0
224.13763	2.5
227.03381	3.7
233.06581	1.5
255.02943	3.8
263.95834	1.7
270.99573	2.5
271.02496	52.3
272.02896	1.8
284.03290	2.6
285.04025	4.1
293.08792	6.6
294.08936	2.8
295.09128	2.5
299.01981	100.0
299.99637	1.5
300.02634	8.0
301.03516	33.9
327.12506	2.4
369.18954	3.3
387.10852	4.5
387.20053	7.7
417.15579	3.1
433.07864	10.3
446.08585	35.6
447.03537	2.6
447.09253	25.1
501.23209	4.2
515.24689	1.8
519.24457	67.2
520.24646	4.3
523.83600	1.5
579.13544	67.0
579.24847	6.3
580.13855	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	579.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51715	1.1
57.03446	3.0
59.01383	24.4
61.98830	7.7
62.75339	1.2
69.40665	5.9
71.01389	15.9
73.02953	2.6
78.95911	2.9
83.01400	4.1
85.02949	5.6
87.00857	2.6
88.98802	7.3
89.02457	17.7
90.02815	1.2
93.03450	2.1
96.96009	18.9
96.96951	2.2
96.99315	2.0
99.00909	1.7
99.04475	1.5
101.02455	11.0
105.01939	2.1
108.02171	2.4
109.02952	3.4
111.00863	3.9
113.02451	5.0
115.00323	1.3
116.73653	1.2
117.03457	1.6
119.03513	2.8
121.02968	2.7
123.04513	3.0
124.01622	1.1
124.23499	1.1
125.02434	1.8
131.03481	3.9
133.02936	3.2
134.03740	9.2
135.04495	1.2
137.02460	1.5
138.02023	1.5
138.03262	2.4
139.04002	1.7
145.02963	2.5
146.03709	3.5
147.04518	3.6
149.02438	4.1
149.04562	11.2
149.05774	1.7
150.03195	1.8
151.00392	1.3
153.05576	1.8
153.63721	1.3
158.03717	1.7
159.04520	2.2
161.02454	3.8
161.04591	1.3
161.06064	2.5
162.03203	4.9
163.04010	5.0
164.04790	4.0
166.02704	1.5
169.53780	1.3
173.02483	1.8
173.06055	2.2
174.03250	2.8
175.03999	3.6
176.04822	2.7
177.01895	2.0
177.05594	4.6
178.06395	3.1
181.05051	2.4
183.04326	1.6
188.04707	2.0
189.05589	4.0
191.05595	3.1
193.05058	7.3
208.03882	1.9
222.05138	1.7
223.06039	1.8
227.03424	4.5
228.04329	1.5
237.07695	3.0
253.05000	1.3
255.02989	26.9
267.06812	1.9
271.06116	8.2
281.04581	2.7
282.05347	6.1
283.02518	60.2
283.05792	3.6
284.03241	6.0
284.06659	1.4
285.04089	41.5
285.07288	3.2
286.08539	6.1
296.06873	2.2
297.04633	1.3
297.07672	7.6
298.08487	3.5
299.09192	3.9
301.10782	4.3
309.03879	1.7
311.09250	4.4
312.06525	2.0
312.09982	9.9
313.10764	7.0
314.11514	3.4
324.06418	1.9
325.06915	2.1
327.05215	1.8
327.12399	12.6
328.13028	2.9
329.13919	3.0
339.08673	5.3
340.09586	2.9
355.11826	6.0
369.06183	2.8
379.16049	2.2
383.07562	3.2
399.07150	3.8
416.07437	2.6
417.08157	6.8
417.15958	1.8
446.08542	10.5
447.09363	11.4
459.09360	2.0
519.24304	4.4
561.84308	1.6
579.17548	100.0
580.16876	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	579.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.2
61.98830	7.4
69.09726	5.2
71.01384	8.3
72.99321	1.0
73.02952	10.3
75.00884	0.8
85.02957	4.1
86.00128	0.9
87.00866	2.9
88.98897	0.7
89.02458	5.9
99.00880	1.0
101.02461	12.9
103.04004	4.9
104.40524	0.7
113.02469	1.5
115.04000	1.5
119.03503	1.7
121.89754	0.8
125.02456	2.9
126.99596	11.5
131.03488	0.8
131.08688	2.3
143.03529	1.6
145.05083	1.0
151.03212	2.6
161.04532	0.9
163.06139	7.5
163.07701	2.2
165.04762	1.4
167.06345	100.0
168.06706	1.6
172.94373	0.7
175.03941	0.8
205.07214	4.4
211.05328	43.7
224.39243	0.8
236.47411	0.8
244.75674	0.7
247.72340	0.9
253.06346	1.0
270.09229	0.7
447.25851	1.8
579.30316	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	579.2085
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
59.01376	2.8
61.98835	31.4
63.06820	0.7
65.83755	0.6
71.01384	1.6
75.00886	0.7
75.61919	0.7
85.02988	1.0
101.02448	1.6
109.02969	2.6
113.02426	0.8
119.05038	1.1
121.02964	1.1
123.00912	2.5
125.02416	0.9
137.02455	8.3
149.02486	0.7
151.00391	17.3
151.04076	1.5
152.01146	1.5
152.04788	3.5
159.04526	0.8
161.04576	0.9
163.03955	1.0
165.01947	1.0
166.02733	55.5
167.03410	2.5
175.04099	1.0
177.01942	3.3
178.02783	0.8
181.05086	71.1
182.05501	1.8
190.06374	1.3
191.03636	1.0
192.04349	0.9
193.05125	1.0
205.05110	1.3
205.08682	1.1
207.06566	1.3
269.08453	0.6
285.03992	2.2
320.77481	0.7
359.11499	1.9
387.10941	14.3
397.18973	0.7
402.13156	7.3
403.13568	0.8
417.15588	100.0
418.16028	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	579.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.10091	1.0
57.03445	4.0
59.01384	51.9
61.98827	4.1
71.01390	42.5
73.02953	14.1
74.78712	1.0
75.05222	0.9
83.01390	7.9
85.02962	19.3
86.00098	1.8
87.00900	5.3
89.02452	28.9
93.57481	1.0
95.01419	2.9
96.96028	5.6
97.02984	1.3
99.00893	8.5
101.02456	40.0
111.00889	3.9
113.02454	13.6
119.03522	3.9
121.02983	4.4
125.02477	2.4
125.49104	0.9
131.02682	1.0
131.03522	7.3
133.05052	1.0
134.03728	1.7
135.04547	1.6
143.03477	1.6
143.28023	0.9
144.34015	1.2
149.04564	13.8
149.05765	1.9
149.09554	1.1
158.17700	1.0
159.03049	1.5
161.02477	1.1
161.04576	5.9
163.04042	1.7
166.06371	34.4
167.07126	3.0
167.10843	1.9
179.05629	2.4
181.08717	43.9
191.04028	1.4
191.05589	6.3
192.80782	1.1
193.05144	1.3
211.09750	5.7
223.06139	1.0
223.25359	1.0
237.62297	1.0
255.03029	3.9
283.02475	9.3
285.04178	5.9
286.08707	1.2
301.10703	2.0
343.14005	100.0
344.14331	2.6
374.23456	2.0
387.20355	1.0
417.08344	2.6
417.17694	8.9
418.17270	1.0
446.08167	1.4
519.24481	15.9
537.25507	1.6
561.18225	3.2
579.23578	54.4
580.22888	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64057	2.1
59.01386	9.9
61.41057	2.1
61.98805	3.0
71.01407	4.9
89.02449	5.1
97.16739	2.2
98.22645	3.8
101.02431	5.7
125.09698	2.4
133.41240	1.7
161.04520	2.8
163.11270	3.8
165.12906	2.1
185.11850	2.9
191.14409	5.1
207.10274	2.2
209.11707	2.6
237.11293	6.0
245.19124	13.0
248.22935	2.1
253.09282	39.0
271.17017	3.9
289.18121	90.6
290.18521	2.1
307.19171	100.0
308.19897	3.1
525.26953	4.9
543.27911	6.3
579.25848	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37639	7.6
59.01374	22.8
60.65737	7.4
61.98806	17.4
69.11597	51.6
71.01357	9.3
95.20242	8.0
96.81841	11.6
98.21822	16.6
101.02421	13.4
148.92221	8.4
167.96875	7.7
168.12122	8.7
245.19058	11.4
253.09233	35.1
289.18167	100.0
307.19153	99.7
473.12787	11.9
543.28149	10.5
579.25311	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	579.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95874	1.9
54.66399	1.9
59.01383	90.9
69.12454	9.2
69.12865	4.5
71.01385	55.2
73.02950	11.2
75.00858	5.7
85.02951	6.4
87.00854	6.8
89.02450	91.0
94.42779	2.1
98.22604	4.7
101.02451	39.8
113.02426	9.2
119.03519	3.4
131.03505	36.1
149.04561	100.0
161.04524	2.6
191.05653	19.6
196.85216	2.2
251.07718	3.3
486.83191	2.2
519.24402	10.8
579.13293	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	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45094	2.8
55.01878	5.6
57.03442	5.2
59.01387	100.0
61.98827	5.9
69.26389	3.1
71.01019	5.6
71.01389	77.3
72.99318	2.8
73.02953	17.7
83.01376	7.7
85.02963	23.5
87.00880	8.6
89.01935	5.7
89.02452	63.1
95.01398	3.0
96.96034	12.9
99.00890	10.5
101.02460	57.8
102.71924	2.7
111.00883	7.5
113.02481	16.1
119.03506	8.3
121.02935	4.6
125.02451	6.6
131.03523	25.5
134.03754	8.9
147.04518	5.1
149.02541	4.5
149.04576	53.4
149.05862	3.7
161.04543	6.4
162.03267	3.0
166.06386	27.0
167.07053	3.1
167.10818	3.9
169.71185	2.6
170.41556	2.9
179.05634	4.2
181.08737	33.9
191.05598	12.4
193.05011	5.8
211.64351	2.5
223.42561	2.7
225.14789	3.2
255.03119	13.6
263.07068	3.0
283.02557	31.3
284.03162	3.4
285.04105	16.8
293.08734	4.0
301.10715	3.1
343.14001	69.6
374.23419	6.6
387.20206	5.4
417.17850	5.6
446.08612	8.7
447.09235	5.9
519.24414	50.2
561.18805	4.6
579.14935	11.5
579.22833	30.1
580.20740	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	579.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71292	0.5
58.19423	0.6
59.01380	0.9
63.96227	0.9
69.03462	0.6
70.63101	0.6
71.01390	5.4
73.02954	2.2
78.98600	5.4
79.95741	9.2
80.96523	58.5
81.03450	0.5
83.01372	0.6
85.02953	2.6
87.00871	1.9
92.66545	0.4
94.98092	13.2
96.96006	2.5
97.02957	1.7
99.00903	0.4
99.92290	0.4
101.02457	1.4
106.98100	2.9
113.02459	0.6
118.79315	0.5
122.97597	3.1
125.02412	2.3
127.04086	0.5
134.97621	4.7
136.99144	1.1
148.99174	4.9
152.98662	4.8
156.59160	0.5
164.98647	9.3
167.00162	0.6
181.36818	0.6
201.45465	0.5
206.99712	1.3
225.00740	12.2
279.23270	2.1
299.04337	2.8
579.28473	100.0
580.28802	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	579.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34295	0.5
59.01376	1.0
59.36097	0.4
61.98823	0.4
62.28081	0.5
63.58408	0.5
63.96246	1.5
67.76540	0.5
68.25143	0.5
69.03484	0.8
71.01389	7.7
73.02950	2.0
74.48094	0.4
78.95927	0.6
78.98608	7.2
79.95745	11.2
80.96524	71.3
81.03451	0.6
85.02958	2.8
87.00890	3.4
94.98099	17.0
96.96050	2.6
97.02953	1.8
99.00896	0.5
101.02477	2.6
106.98100	3.6
114.50231	0.5
122.97604	3.7
125.02444	3.0
134.97603	4.9
136.99139	2.0
148.99147	6.5
150.09235	0.5
152.98643	5.7
164.98643	12.8
167.00180	0.5
170.56155	0.5
188.98572	0.7
206.99695	2.6
225.00742	15.3
279.23373	2.5
299.04431	2.5
538.84924	0.5
579.28485	100.0
580.28784	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	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76462	0.9
55.01869	4.2
56.27265	0.9
57.03453	1.8
59.01384	58.5
61.98820	3.3
69.12093	6.1
71.01387	42.8
73.02969	9.0
83.01393	5.6
85.02958	17.4
87.00882	1.7
89.02454	24.9
95.01380	3.3
97.02930	1.1
99.00884	3.3
101.02451	26.4
111.00859	1.7
113.02460	14.5
115.61871	1.0
119.03510	8.0
119.56292	0.9
124.32428	0.9
129.01950	2.0
131.03526	1.6
143.03482	2.3
148.24254	0.9
151.00412	1.2
159.02957	2.2
161.04581	10.6
166.02713	4.4
167.34660	0.9
179.05595	3.1
181.05045	4.6
193.64435	0.9
353.79718	0.9
387.10989	1.7
402.88138	1.0
415.74606	1.2
417.16040	6.7
417.24945	26.6
418.25613	1.2
458.37778	1.1
579.30267	100.0
580.30463	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
57.03439	2.8
58.00613	0.9
59.01383	82.1
61.98833	6.7
69.03433	1.1
69.45354	4.3
69.92024	0.9
71.01389	60.1
72.23228	0.8
72.99310	2.8
73.02953	9.5
75.00877	4.1
83.01393	6.3
85.02956	20.9
87.00883	2.2
89.02454	35.9
90.52013	0.8
95.01385	3.5
96.96017	1.4
97.02957	1.2
98.21887	1.6
99.00877	4.8
101.02451	37.0
108.21807	1.0
111.00864	2.6
113.02463	22.0
119.03508	17.1
125.02440	1.6
129.01949	2.2
131.03519	2.0
136.01685	3.3
137.02449	2.2
143.03494	3.7
149.02408	0.8
149.04559	1.3
151.00391	3.3
151.04002	5.6
151.05539	0.9
159.01050	0.8
159.02974	1.8
160.01674	1.4
161.04562	12.9
166.02699	8.0
175.03960	1.0
179.05605	6.2
181.05075	13.1
181.06531	1.5
193.05063	1.2
225.05219	2.3
235.06242	1.4
253.04660	7.0
261.99512	1.5
269.81793	1.0
271.05685	2.6
277.01776	1.5
307.06451	1.8
342.11258	1.3
357.09723	1.1
357.13437	6.6
359.11270	1.0
380.20639	0.9
387.10867	6.9
402.13376	2.8
417.15768	21.6
417.24860	25.8
418.25061	1.8
519.31573	3.4
537.32977	1.3
579.30280	100.0
580.30890	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	580.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.1
61.98835	42.3
71.01396	10.8
73.02949	4.1
75.98305	2.5
85.02945	3.7
89.02472	6.3
98.63805	2.7
101.02443	9.9
113.02439	3.7
122.02474	4.8
125.02473	3.5
127.17314	2.9
134.02489	100.0
136.04045	3.4
151.02760	7.3
166.01471	6.4
177.02167	2.6
180.03030	9.8
181.03786	31.3
195.05373	5.2
196.06180	3.0
241.03809	11.2
242.02171	7.9
247.95851	2.8
257.04684	3.2
265.17221	2.7
285.02750	9.4
300.05167	77.7
317.05112	3.6
332.07773	92.6
332.11575	6.1
494.13196	8.4
502.45456	2.9
519.31415	3.1
520.90515	2.7
521.33368	6.9
536.06567	4.8
536.14136	63.1
537.14923	3.7
579.31635	5.8
580.31757	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	580.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.8
59.01386	68.2
61.77866	2.0
69.14839	2.2
69.36330	10.5
71.01386	42.9
73.02956	9.8
85.02966	5.4
87.00878	7.0
89.02452	72.9
101.02460	35.7
113.02467	9.6
119.03556	4.3
122.00288	2.2
125.02448	4.4
131.03529	29.7
149.04570	72.1
149.09766	20.2
153.09235	7.6
167.10767	24.3
191.05629	19.4
215.73233	2.4
225.14973	2.9
243.16121	3.1
293.08847	4.5
405.21246	3.0
530.55206	2.3
537.25580	100.0
538.26007	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	580.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98835	100.0
66.02175	0.2
68.38901	0.2
69.50326	0.9
71.01404	0.4
73.02975	0.3
75.00883	0.3
85.02971	0.2
89.02458	0.4
101.02439	0.3
101.79423	0.2
103.92229	0.2
167.06448	0.6
168.06741	0.3
169.06105	0.4
204.02737	0.2
228.22838	0.2
379.86716	0.2
393.81201	0.2
580.30768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21428	0.3
50.21709	0.3
56.19025	0.3
59.01392	2.9
59.08415	0.4
61.98838	100.0
67.73830	0.3
71.01400	1.2
73.02948	0.5
78.95942	0.3
81.57091	0.3
84.95135	0.7
85.02979	0.8
87.00921	0.4
89.02467	0.9
91.28164	0.4
101.02475	1.4
119.87196	0.3
145.13142	0.4
167.28336	0.3
254.14996	0.4
284.03506	0.7
315.19397	0.3
348.97400	0.3
548.12335	0.4
580.15350	0.6
580.30652	4.3
581.32141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95266	0.7
61.98837	100.0
69.09200	3.6
69.09602	1.4
78.95927	0.8
80.96546	1.3
89.72108	0.6
96.24877	0.7
96.96040	1.7
121.74919	0.6
165.46756	0.7
198.15514	0.7
581.30505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39590	0.4
51.07893	0.5
56.81667	0.5
57.03444	0.8
59.01385	12.8
60.01746	0.6
61.98838	33.8
71.35403	0.5
71.42624	0.5
72.99310	0.9
73.02940	0.8
74.59484	0.5
75.00891	4.7
76.34372	0.5
78.95916	0.9
83.01397	0.8
85.02966	3.6
87.00910	0.8
87.04546	1.0
89.02450	2.0
93.03488	1.2
96.96029	1.2
97.02964	0.6
101.02465	1.4
103.43842	0.5
107.01396	0.8
107.34027	0.5
111.00924	0.8
113.02464	1.2
121.03023	0.5
132.02158	0.9
135.00941	0.5
147.10199	0.5
151.00383	1.5
159.95996	0.5
163.00471	0.8
173.04597	1.7
183.04477	0.7
191.05637	3.7
211.03999	0.6
226.58038	0.5
227.03531	18.8
228.03873	0.8
229.05107	1.0
255.03023	52.3
256.03580	3.0
257.04758	0.6
283.02652	4.3
284.03302	100.0
285.03964	10.3
337.81897	0.5
345.20651	1.0
353.26727	0.6
363.21805	0.7
364.99646	0.8
399.07263	0.6
441.08206	1.0
501.10458	64.0
502.11002	3.0
514.64624	0.6
539.27295	1.1
563.21527	1.2
575.96765	0.5
580.30310	3.3
581.06158	22.2
581.21375	0.9
581.31079	2.9
582.06464	1.2
601.02014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48652	0.2
59.01377	1.5
61.28435	0.2
61.28741	0.2
61.98833	100.0
69.14230	1.2
71.01402	0.8
73.02966	0.2
80.96500	0.2
84.61356	0.2
85.02982	0.4
87.12740	0.2
89.02460	0.3
97.50559	0.2
98.22704	0.3
101.02462	0.5
113.02445	0.3
134.03903	0.2
191.05740	0.4
192.26099	0.2
209.93802	0.2
284.03317	0.6
389.20438	0.2
501.10944	0.3
552.01691	0.2
558.57062	0.2
581.31775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
50.98125	3.4
57.12523	3.0
63.99290	3.1
68.37424	3.3
78.95911	100.0
96.96025	24.9
96.96932	4.6
99.92596	7.9
100.93369	12.7
104.31841	3.4
115.92071	17.8
116.92870	27.2
128.96620	3.6
148.65416	3.6
152.99571	16.6
163.89764	4.8
164.90520	8.1
171.00626	15.7
172.95416	7.4
178.88490	8.8
179.89215	41.0
180.90074	31.3
196.89494	41.8
205.90796	9.8
235.91853	11.6
236.92664	26.2
270.93234	3.7
278.94028	4.1
310.96295	5.4
418.23831	3.5
473.14087	5.6
545.16211	6.2
563.17139	6.2
581.18372	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01726	0.7
61.98839	7.2
65.97810	0.4
67.33565	0.5
69.20834	1.9
69.21230	1.1
71.01389	5.2
73.02962	1.5
77.16874	0.5
85.02976	1.7
87.00896	0.8
89.02449	5.0
90.02751	0.5
90.69512	0.5
91.02895	0.7
101.02428	3.3
113.02490	1.4
116.92882	0.9
119.05067	2.1
121.03004	1.3
126.86682	0.5
131.03534	1.2
134.03799	1.0
135.04599	0.6
147.04691	0.6
149.04549	2.5
150.04951	1.0
160.01736	1.6
161.04567	0.6
163.04091	2.1
163.62674	0.5
165.05592	0.8
175.04039	2.4
190.06400	0.7
191.05672	0.9
193.05144	0.7
205.08679	0.6
238.06372	0.5
255.10329	0.5
257.08170	0.6
269.08224	7.9
271.09998	0.8
281.08301	1.3
283.09821	2.4
299.09271	5.5
300.51004	0.6
311.09268	7.5
313.11221	0.5
314.11591	12.0
314.15030	0.8
315.11890	0.6
326.11594	7.2
329.13940	47.9
330.14398	1.6
341.13953	26.2
342.14362	0.8
359.14975	0.9
389.16180	2.7
389.20874	0.6
521.26123	1.1
581.26544	3.2
587.67902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	51.8
61.98817	31.2
71.01394	13.7
71.45108	13.2
71.88647	11.7
80.17970	11.4
85.92399	13.8
94.21155	11.6
101.02448	15.8
116.97289	14.4
253.09361	24.6
291.19662	60.5
309.20743	100.0
310.21179	12.3
323.71634	12.8
470.26425	13.6
503.13086	12.9
581.27380	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67000	1.3
57.03455	1.7
59.01385	45.5
59.37733	1.2
60.74961	1.3
61.98827	5.8
69.19883	2.5
69.20278	4.0
71.01392	21.9
72.99307	4.1
73.02955	4.5
75.00880	100.0
78.91872	9.1
83.01403	1.7
85.02958	6.1
87.00871	3.3
89.02448	28.6
96.40569	1.3
96.96031	3.3
101.02460	17.3
113.02447	8.4
119.03503	2.4
119.99065	1.5
131.03523	11.1
134.03766	1.4
147.66344	1.3
149.04585	23.0
153.09311	1.3
165.05531	1.6
191.05634	5.9
216.20946	1.4
236.41805	1.4
314.11862	2.0
329.13959	2.9
341.13937	2.3
373.22192	1.9
399.33902	1.2
491.24802	3.2
505.26315	7.5
521.25952	21.2
521.33319	8.9
539.34528	2.0
581.26874	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	581.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
55.08603	0.9
57.03438	3.4
57.33049	1.0
59.01385	68.5
61.98835	67.1
69.03445	4.3
69.33252	5.7
71.01386	59.7
72.99311	3.8
73.02953	18.7
75.00873	3.2
79.04198	0.9
83.01399	9.3
85.02962	28.0
86.00083	3.0
87.00869	5.5
88.98820	1.9
89.02454	23.2
93.30453	1.2
95.01413	2.4
97.02954	2.7
98.21876	2.5
99.00876	6.5
101.02452	43.2
111.00893	8.0
113.02467	17.6
115.04028	1.8
117.05589	1.3
119.03513	3.3
121.03021	1.1
123.00860	1.4
124.01676	3.4
125.02431	4.7
129.01959	1.8
131.03520	10.4
135.04549	1.9
143.03517	1.6
149.04549	4.8
149.99605	4.6
159.02980	2.3
161.04559	6.0
168.00630	8.5
175.04007	1.6
177.17360	1.0
191.05574	2.1
233.06732	1.5
287.22299	5.9
403.15479	1.2
410.38315	1.1
417.24359	1.1
431.26340	5.8
449.27579	100.0
450.28064	3.7
521.25970	2.5
521.33130	1.6
563.30621	2.0
581.15302	8.6
581.31836	92.9
582.32220	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	581.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93506	0.9
55.01894	3.9
57.03460	3.9
59.01385	39.4
59.45203	0.9
60.06400	1.0
61.98830	10.1
65.90608	1.0
66.91662	1.0
69.03471	3.7
69.12205	4.9
69.12608	1.6
71.01385	39.2
72.99306	1.0
73.02948	16.8
74.10217	1.0
75.00887	1.6
78.91925	1.3
83.01392	7.9
85.02956	22.9
87.00908	4.4
88.98846	2.8
89.02451	15.7
95.01431	3.2
96.96062	1.1
97.02985	2.4
99.00887	6.8
99.04564	1.4
101.02449	31.6
111.00883	5.6
113.02441	16.2
115.04042	1.8
117.05631	3.1
119.03552	1.6
121.03001	3.6
125.02496	2.5
127.20238	0.9
129.02020	1.4
131.03528	3.8
132.02194	1.4
134.03729	5.7
143.03554	1.3
149.04608	2.2
149.06068	1.5
149.09798	1.1
150.03217	1.2
159.03038	2.7
160.01672	13.4
161.04604	3.3
166.03023	1.0
175.04004	12.9
176.25893	1.0
179.03622	1.2
189.05609	1.2
191.05728	2.4
193.05063	8.4
209.95074	1.0
233.06660	1.5
235.06169	3.5
287.22458	3.7
295.08337	1.4
321.98154	1.1
327.80667	1.1
332.06348	1.2
431.26544	1.8
449.27585	50.6
450.28210	2.1
465.94370	1.0
521.33691	3.2
581.32257	100.0
582.33069	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	582.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24086	0.2
59.01390	2.0
61.98837	100.0
71.01399	0.6
73.02971	0.6
73.21416	0.2
85.02972	0.5
89.02441	0.4
101.02473	0.7
116.92930	0.3
128.99333	0.3
131.03560	0.2
143.03571	0.3
169.06047	2.1
170.06343	1.3
183.95738	0.3
191.05737	0.4
213.05193	0.7
214.05452	0.5
286.83099	0.2
337.11462	0.2
339.62076	0.2
506.36682	0.2
581.32654	0.5
582.33063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.98834	100.0
71.01389	1.5
83.01409	0.3
85.02946	0.5
88.72546	0.3
89.02469	1.1
98.21856	0.5
101.02466	1.0
111.00911	0.3
113.02470	0.4
119.05068	1.0
149.04703	0.3
158.01648	0.3
163.04044	1.1
188.80275	0.2
195.06998	0.3
195.51527	0.3
201.58702	0.3
224.91269	0.3
340.16876	0.3
345.04602	0.3
347.95090	0.3
504.24567	0.7
522.26477	1.5
551.14502	0.3
579.57520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48363	0.3
59.01381	3.2
61.98833	100.0
64.55813	0.3
69.27530	1.5
71.01393	1.7
72.10181	0.3
73.02960	0.5
81.34218	0.3
85.02962	0.6
89.02440	2.3
101.02458	1.0
102.02920	0.3
111.00889	0.3
113.02449	0.7
123.08220	0.5
131.03534	0.6
136.43073	0.3
136.68793	0.3
138.16563	0.3
149.04572	0.7
163.11334	0.4
169.17410	0.3
190.13187	0.5
207.13826	0.4
208.14500	0.5
296.76047	0.3
520.25049	0.5
521.25397	0.7
522.25287	4.5
591.19128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.9
61.98836	100.0
62.98553	0.3
71.01373	2.0
71.40788	0.3
72.01720	0.3
73.02957	0.4
85.02539	0.3
85.02929	1.7
89.02455	1.9
95.01464	0.4
101.02474	0.9
111.00903	0.5
113.02471	0.7
119.03487	0.3
119.04993	0.6
132.90677	0.3
133.96359	0.3
134.03775	0.8
143.07227	0.4
143.60306	0.3
161.02589	0.4
162.03236	0.3
163.04004	0.6
175.04124	0.4
192.01093	0.4
193.05167	1.1
390.22162	0.4
417.10696	0.6
521.25769	0.4
522.26282	2.1
554.14850	0.4
582.26593	0.4
583.28723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26426	0.4
59.01382	7.9
61.26129	0.5
61.98840	14.3
67.20714	0.4
71.01393	2.0
72.18600	0.5
73.02968	0.7
75.00893	3.2
79.59628	0.5
83.77676	0.5
85.02979	0.7
87.04532	2.5
89.02460	1.0
93.03468	3.3
95.01395	0.6
96.96042	1.1
98.21812	0.9
98.39180	0.6
101.02480	1.0
109.02950	0.5
116.92870	0.6
121.02970	5.8
122.03751	14.1
123.04549	0.9
124.01697	0.8
133.02974	1.4
136.01671	6.8
137.02483	1.2
149.01263	1.1
149.02455	17.4
150.03241	90.6
151.00377	2.1
151.04051	8.0
164.04774	3.7
165.05585	100.0
166.02734	4.6
166.05943	1.3
167.03493	0.9
175.04045	1.1
180.04297	6.7
181.05051	5.6
189.05539	0.5
189.42361	0.5
190.06349	0.5
195.06644	64.3
196.06984	1.6
209.35646	0.5
216.37274	0.7
329.10379	0.6
342.11090	1.0
357.09634	1.7
357.13519	8.6
369.12976	0.6
372.12183	0.9
373.13074	0.6
387.14523	12.4
470.44217	0.6
505.18430	0.9
523.27771	0.9
535.19727	2.6
583.29437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.5
61.98837	20.5
69.78173	0.9
71.01387	4.5
73.02953	2.0
75.00915	1.1
81.10670	0.8
85.02952	2.4
87.04501	1.7
89.02460	1.8
89.63232	0.8
93.03475	6.0
95.01417	0.9
101.02451	3.2
109.02966	1.4
113.02460	2.1
116.92877	1.0
118.03011	1.0
121.02966	11.7
122.03760	20.1
123.04610	1.2
124.01577	1.2
125.02412	0.8
133.02943	2.4
134.03751	2.0
135.04550	7.8
136.01666	10.1
137.02443	2.1
139.04057	1.1
147.04541	2.4
149.02472	25.5
149.06126	1.4
150.03246	96.2
151.00420	2.5
151.04030	13.6
152.01167	2.7
152.52922	1.1
153.05562	1.2
160.05278	1.2
161.04614	1.1
161.06047	2.0
163.04048	1.8
164.04840	6.8
165.05589	100.0
166.02719	7.9
166.05917	1.3
167.03525	2.2
172.05310	2.1
175.04030	4.4
175.07770	0.8
180.04337	7.4
181.05064	11.0
187.59090	1.0
187.79819	0.9
189.05632	4.0
190.06361	6.8
195.06645	50.1
205.08722	2.0
221.08105	1.0
225.37061	1.0
266.05884	1.2
270.50482	1.0
297.07608	1.1
315.09052	1.1
325.07016	1.5
329.10492	4.2
355.11496	1.0
356.12683	2.4
357.09705	2.2
357.13525	10.7
359.22314	1.2
372.12128	1.9
373.12964	1.7
377.23288	5.7
387.14523	28.6
505.18924	5.9
517.18781	1.7
535.19806	52.6
536.20013	2.5
539.28601	7.7
583.29645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98831	18.7
69.63976	0.7
71.01384	6.3
72.99291	1.0
73.02953	4.9
83.01427	1.0
85.02967	2.8
86.96576	0.7
88.98833	1.0
89.02441	6.0
96.96019	0.9
98.22757	1.1
99.00895	3.5
101.02447	6.4
102.44520	0.7
111.00892	0.7
112.27892	0.7
113.02477	2.2
119.31511	0.7
121.02974	1.1
131.03503	1.2
149.04591	4.8
161.04626	2.3
175.04066	0.8
191.05562	1.2
229.05096	0.9
240.06779	2.0
311.18442	0.7
319.22687	1.0
331.98151	0.8
335.22330	15.1
372.07269	0.9
427.18103	0.9
463.27405	3.1
481.28265	4.9
523.28784	3.8
542.63214	0.9
583.14722	1.0
583.24341	1.4
583.33459	2.3
584.20306	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15373	1.1
59.01384	100.0
61.98831	2.1
64.52770	1.0
71.01392	8.9
73.02950	12.2
83.01412	4.5
85.02975	1.8
89.02438	7.6
101.02448	12.0
113.02467	5.5
119.03494	5.1
120.29896	1.1
131.03506	1.5
143.03563	1.5
144.83138	1.1
149.04541	2.1
161.04559	5.9
163.56735	1.2
179.05582	3.0
221.06935	1.2
253.09367	1.5
309.20630	2.5
463.27106	4.4
481.28159	9.8
523.29285	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	583.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39551	1.3
56.24866	1.2
57.03457	1.2
59.01384	100.0
60.31992	1.3
61.98841	9.9
66.65186	1.3
69.12843	8.3
69.56574	1.2
71.01386	18.1
73.02940	9.0
83.01390	4.6
85.02959	10.2
89.02448	2.7
97.03011	1.7
99.00873	2.1
101.02462	16.8
108.07407	1.3
112.05473	1.3
113.02483	6.3
125.02454	1.5
161.04597	6.8
222.89069	1.3
317.21179	2.5
319.22742	5.7
361.23743	2.3
405.65485	1.5
415.24768	2.0
463.27011	21.4
481.28119	44.8
482.28128	2.1
523.29138	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91637	0.6
54.87352	0.6
55.78545	0.7
56.98045	1.0
57.03440	0.7
59.01384	30.8
60.01715	2.2
61.98835	67.8
67.01876	0.6
68.54479	0.7
69.03429	0.7
71.01385	4.6
72.99298	0.6
73.02940	0.8
78.03514	1.0
85.02962	3.3
87.00889	1.1
89.02463	3.1
95.01402	1.2
96.96037	0.7
99.04549	0.7
101.02454	3.3
101.06095	1.4
106.03003	4.0
110.99123	3.0
111.00891	10.0
111.08266	0.6
112.01219	1.7
113.02460	2.0
116.24230	0.7
116.92912	1.6
119.03515	1.0
119.05019	0.8
121.02962	1.7
122.99124	1.6
125.02441	0.6
126.73257	0.7
129.01950	0.8
134.02509	0.9
138.98604	18.6
139.99382	2.1
143.36673	0.6
149.02428	0.6
150.01976	10.2
154.99825	0.7
160.01724	0.9
161.04521	0.7
163.04016	0.9
164.98914	4.5
165.04333	13.2
165.05647	1.2
165.99698	7.5
166.98099	14.4
183.01271	1.6
191.05612	0.9
193.05115	1.8
216.46295	0.6
257.99847	0.8
274.01904	1.5
275.02542	1.9
301.00522	12.6
302.01309	15.0
333.03149	49.9
334.03900	12.8
349.81912	0.7
393.63422	0.6
407.84406	0.7
425.29446	0.7
451.31223	0.7
464.06662	4.6
481.28482	0.7
496.09250	100.0
497.09622	4.0
499.29300	1.1
541.30145	1.3
583.36139	0.7
584.10730	13.6
584.18024	0.9
584.29504	1.1
585.11835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58242	1.2
54.24811	1.3
56.98027	1.3
59.01385	8.9
61.98833	64.1
62.76965	1.4
64.94195	1.3
65.03947	3.2
71.01375	3.7
80.19061	1.3
89.02444	2.6
93.03472	2.4
97.01176	6.0
100.85683	1.4
101.02438	3.3
108.02148	2.0
110.99121	5.0
111.00926	1.3
121.03005	1.3
122.02513	3.4
123.00880	1.6
123.99862	2.0
125.00674	12.9
136.04068	3.2
137.97847	4.3
138.98576	4.2
139.99332	2.0
148.00392	8.0
149.01202	3.7
150.02005	1.9
151.02789	2.0
152.03539	2.2
153.00163	14.7
163.98116	1.8
164.99092	2.1
165.00667	6.1
166.01447	3.8
171.74046	1.3
175.22264	1.3
178.98026	2.5
179.00496	2.4
180.01283	6.3
180.03035	23.9
180.99670	14.9
181.03810	13.8
195.05409	12.5
196.06139	10.7
197.02763	2.3
200.03641	1.8
206.97559	2.7
207.01773	4.3
209.02794	3.1
215.00652	1.9
222.04063	7.1
227.02225	1.7
242.99957	3.6
244.00682	3.3
247.00562	1.6
254.01077	1.9
255.01723	3.7
256.02615	2.4
259.00565	4.5
260.00098	2.3
270.04047	2.7
270.99478	3.2
272.00284	9.7
274.01886	2.1
275.00220	5.7
282.00513	7.3
283.01303	5.0
286.01834	4.0
286.99063	4.1
287.02643	6.0
287.99768	12.9
302.01221	8.9
303.02008	10.4
304.02875	2.0
310.70099	1.5
314.03415	2.9
314.98535	3.0
315.03821	8.4
324.90564	1.5
330.00803	56.7
331.01486	20.7
332.02371	4.0
334.03940	7.6
344.02328	1.8
345.03119	20.8
346.03891	25.3
354.09912	3.8
362.03412	62.6
363.04184	11.4
364.04813	1.8
369.12292	1.9
377.05777	67.5
378.06537	82.6
379.06729	4.0
384.14636	7.0
404.04422	7.1
422.05811	2.0
508.09125	18.3
523.34467	2.3
526.10248	3.2
540.11847	100.0
541.12054	4.4
549.42365	1.7
583.33496	1.9
584.10815	77.9
585.11310	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	584.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99100	0.9
56.67155	1.0
56.98017	1.5
57.03443	1.0
59.01387	11.0
61.98834	29.1
65.03965	2.3
67.01922	0.9
71.01398	4.5
73.02934	1.5
78.17604	0.8
78.24840	0.9
82.95432	1.5
85.02975	2.1
85.61645	0.9
89.02431	3.0
93.03486	1.4
97.01183	1.4
99.04464	1.0
101.02451	4.0
108.02182	1.2
109.02932	1.1
110.99119	1.9
111.00875	4.5
112.01205	1.4
113.02438	1.2
115.71583	1.2
119.03472	1.3
123.99846	1.5
125.00681	6.0
129.01898	1.1
133.01631	1.0
135.98746	1.1
137.97836	1.6
138.98622	2.6
148.00417	5.2
148.04053	2.7
149.01189	7.4
149.02324	1.5
150.02075	1.2
150.03264	2.1
153.00159	6.6
154.00909	1.3
154.99867	1.3
161.04489	1.2
163.98148	10.4
164.03529	1.6
164.98895	2.1
165.05595	1.4
166.98087	1.7
178.98099	1.3
179.00478	20.4
180.01295	11.2
180.03012	100.0
180.99715	6.3
181.01123	1.5
181.03703	2.2
195.05402	2.8
197.02771	2.1
200.03546	2.0
206.97615	1.7
207.01794	3.4
209.02748	1.6
212.03535	2.0
215.00444	1.2
215.98718	0.9
222.04077	3.9
227.02356	1.9
240.03014	1.7
242.99988	2.3
244.00696	1.9
244.99132	4.4
255.01660	1.5
258.02328	2.4
259.00720	1.9
260.00339	3.0
270.99573	2.0
271.93518	0.9
272.00284	3.0
272.98489	4.7
286.01938	5.1
286.04446	1.0
287.00275	8.6
287.99591	9.8
302.01242	4.2
302.04926	3.6
303.02084	11.7
313.00320	1.1
314.00958	1.0
315.99426	1.5
318.04529	4.9
330.00757	10.7
331.01559	22.3
334.04117	2.2
342.06567	4.2
345.03162	8.2
346.03995	11.8
358.04236	1.4
362.03403	45.8
363.03900	5.0
377.05762	47.1
378.06543	51.4
379.06946	1.6
404.04388	6.7
422.05609	1.3
450.13947	1.1
454.98166	1.0
493.06915	2.7
496.09177	1.9
508.09210	15.7
525.09259	1.7
526.10193	3.1
540.11823	94.0
541.12286	4.5
549.20972	3.1
583.29871	1.0
584.10809	76.4
585.11133	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	584.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98836	100.0
62.49348	0.2
65.32931	0.2
65.44012	0.2
69.10866	0.7
69.11282	0.6
70.14526	0.2
71.01376	0.2
78.96816	0.2
84.39596	0.2
85.02978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15933	3.7
58.58649	3.6
59.01171	3.5
59.01393	40.4
61.98834	34.0
71.01389	6.7
82.95431	5.7
85.90253	3.5
91.29202	3.6
101.02475	7.0
118.23976	4.1
145.02934	5.5
155.01355	4.9
185.01253	3.8
196.04050	4.2
209.01265	10.2
211.00333	10.0
224.03499	6.0
225.00775	4.2
237.00615	4.6
252.02968	5.7
253.00249	7.7
258.89276	3.8
261.05481	6.1
274.05331	9.3
276.06073	3.8
284.05768	7.6
302.04745	10.2
314.04520	14.7
330.04092	10.7
332.05362	5.6
342.04126	10.2
358.03580	58.6
360.05316	6.4
386.03146	100.0
387.03806	4.2
392.07733	12.0
418.05698	75.7
464.27505	5.4
467.11826	4.4
482.28619	7.0
525.30737	4.1
553.08911	16.9
585.11389	44.6
586.11597	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	585.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	14.1
65.86645	5.9
69.36142	12.3
69.36550	30.5
71.01387	28.9
111.00912	15.0
115.85064	6.4
118.96671	28.1
132.23970	6.4
132.98218	17.0
138.25615	5.7
140.98708	8.2
144.98260	7.4
156.98216	22.8
158.99748	8.3
160.97766	15.1
168.98228	12.4
175.79726	6.7
177.00801	11.6
182.99786	8.3
183.82809	6.4
186.99248	22.2
189.00888	6.3
198.99277	15.1
201.00786	9.9
210.99265	9.8
213.00841	8.9
217.00369	14.5
219.01842	52.4
229.00334	16.2
248.96153	6.3
259.01343	13.9
303.04221	8.6
321.05014	23.2
363.06131	84.7
381.07217	100.0
418.84021	7.4
423.08310	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07838	1.0
57.69047	1.1
59.01391	7.5
61.98827	3.1
67.97659	1.1
69.32246	6.0
71.01367	1.9
72.04549	2.1
82.02987	44.8
85.02941	4.9
87.00890	1.7
91.05550	3.1
93.03481	2.8
94.69719	0.9
95.15246	1.1
98.02500	3.6
100.04057	23.5
101.02425	1.1
109.37370	1.0
119.03355	1.0
124.68856	1.2
127.04075	1.2
145.02974	1.3
163.04016	2.4
173.04384	1.9
191.05618	100.0
191.57539	1.1
192.05870	1.5
193.05055	2.3
202.08762	8.8
231.14172	1.1
248.09277	40.4
337.05438	0.8
337.09280	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	586.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66610	0.2
54.32033	0.2
59.01385	6.9
61.98837	100.0
67.01905	0.3
69.28250	0.8
69.28658	0.5
71.01395	1.7
73.02948	0.4
85.02965	0.7
87.00910	0.2
87.04544	0.8
89.02453	1.2
89.73797	0.2
97.72598	0.2
101.02457	1.1
111.00889	1.3
111.01576	0.2
113.02470	0.5
116.92916	0.3
118.93893	0.2
121.02939	1.0
134.03839	0.2
137.02438	0.3
149.04507	0.2
161.04623	0.4
180.03113	0.6
209.32196	0.2
235.48698	0.2
285.04269	0.2
332.01022	0.5
333.01501	0.3
364.03653	0.8
378.06653	0.4
379.05634	1.0
380.06805	1.0
510.10110	0.3
542.12054	1.9
586.10718	1.3
586.28546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66610	0.2
54.32033	0.2
59.01385	6.9
61.98837	100.0
67.01905	0.3
69.28250	0.8
69.28658	0.5
71.01395	1.7
73.02948	0.4
85.02965	0.7
87.00910	0.2
87.04544	0.8
89.02453	1.2
89.73797	0.2
97.72598	0.2
101.02457	1.1
111.00889	1.3
111.01576	0.2
113.02470	0.5
116.92916	0.3
118.93893	0.2
121.02939	1.0
134.03839	0.2
137.02438	0.3
149.04507	0.2
161.04623	0.4
180.03113	0.6
209.32196	0.2
235.48698	0.2
285.04269	0.2
332.01022	0.5
333.01501	0.3
364.03653	0.8
378.06653	0.4
379.05634	1.0
380.06805	1.0
510.10110	0.3
542.12054	1.9
586.10718	1.3
586.28546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
60.01712	0.5
60.27775	0.2
61.98833	100.0
71.01398	0.6
73.02934	0.3
87.04554	0.3
89.02455	0.6
101.02458	0.2
113.02459	0.3
119.03477	0.2
121.02948	0.2
131.03491	0.2
161.04568	0.2
161.83659	0.2
179.05600	0.3
235.06494	0.2
466.29431	0.2
519.99078	0.2
526.31195	0.2
586.29504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51851	10.5
59.01385	100.0
59.26756	9.7
61.98829	39.8
69.78248	23.1
69.78603	20.7
71.01392	15.3
75.22261	8.7
78.91908	12.9
82.48955	10.5
85.02971	16.1
89.02473	9.3
94.09600	9.4
171.10306	12.4
173.79741	9.3
175.04054	14.4
191.05701	9.8
197.11931	16.5
219.31683	10.5
235.06114	15.2
245.67990	9.4
309.20486	9.9
328.69308	10.7
355.10373	13.0
377.14322	9.9
392.25113	10.3
489.12970	9.7
587.09125	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	587.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.7
61.98837	2.6
62.15636	1.5
71.01378	3.8
75.92114	1.5
80.91688	1.7
89.02448	2.0
96.96082	1.3
99.81033	1.6
101.02441	3.3
119.28194	1.6
132.31047	1.8
165.12868	12.8
171.10304	8.7
197.11899	3.0
229.21344	1.9
247.20656	8.7
253.09285	15.6
273.18634	2.6
291.19696	100.0
292.19861	2.2
369.92249	1.6
569.20837	1.8
587.25958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03440	2.1
59.01383	100.0
59.22053	0.9
60.01709	1.0
61.01814	0.8
61.98834	19.3
62.17682	0.9
69.51138	0.9
70.59853	1.7
71.01386	40.8
72.99317	0.9
73.02950	13.5
83.01379	4.6
85.02960	19.4
87.00896	2.8
89.01883	1.1
89.02449	22.2
95.01405	3.4
99.00887	4.6
101.01793	1.9
101.02452	32.2
113.02463	17.6
119.03510	7.2
125.02403	2.1
131.03520	1.3
143.03479	3.4
149.04561	2.3
159.02968	2.8
160.01669	1.4
161.04578	28.1
179.05612	5.0
222.13911	0.9
286.04089	0.9
352.30768	0.9
365.23276	3.1
408.07492	1.4
411.31021	1.1
425.06174	1.1
439.21936	2.2
527.28650	77.0
528.29541	4.4
587.30420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.4
59.01383	100.0
61.01863	0.7
61.98838	11.4
68.11527	0.6
71.01385	33.3
72.31127	0.6
73.02940	4.4
79.95727	1.0
82.35961	0.6
83.01399	2.3
85.02953	8.5
87.00912	2.3
89.02451	45.1
95.01407	2.0
95.47959	0.7
96.96018	21.2
98.21774	1.6
99.00871	1.7
101.02451	25.8
111.00922	2.2
113.02458	18.2
119.03509	19.1
121.02976	0.9
125.02446	1.4
131.03546	2.8
134.03751	0.9
143.03519	6.3
149.04593	3.6
159.03008	1.2
161.04570	13.5
179.05605	22.5
191.05609	0.8
193.61397	0.7
227.03625	1.1
239.23251	0.7
247.09521	0.8
255.02988	1.8
284.03375	1.9
285.04086	1.1
313.50833	0.7
327.64453	0.8
383.00934	5.8
489.10934	1.0
527.28632	31.1
528.28931	1.0
587.29279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84626	0.5
52.27276	0.6
59.01384	100.0
61.98856	1.2
71.01389	1.0
71.41364	0.7
79.91412	0.6
85.51653	0.5
87.00909	0.7
89.02467	1.3
92.82036	0.5
121.02995	1.2
133.60081	0.6
212.12080	0.5
237.99109	0.5
241.07549	0.8
270.92224	0.6
274.11142	0.9
274.87137	0.6
342.13409	0.6
392.17249	1.0
402.51138	0.6
418.18860	0.6
424.19968	0.8
432.20514	1.2
436.19846	1.4
476.21262	0.6
510.46689	0.6
588.25616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46135	0.8
54.60538	0.7
59.01387	100.0
61.98831	1.0
71.01400	1.4
74.16607	0.8
90.22131	0.8
96.96011	1.6
104.62969	0.8
121.35535	0.8
123.08104	0.9
125.00165	0.7
143.50169	0.7
162.36975	0.8
164.17567	0.7
184.49440	0.7
342.13577	0.8
346.16504	1.5
372.17957	0.9
386.15994	2.2
400.17593	1.5
406.18738	12.6
431.64600	0.9
460.19681	10.3
478.20847	4.8
528.24805	1.2
530.95648	0.9
588.17749	1.1
588.26520	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	588.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.34789	0.9
71.41601	1.1
88.30749	0.9
105.16118	0.8
112.97455	0.8
209.50020	0.9
220.67986	0.8
281.09503	0.9
283.29840	1.1
295.85757	1.0
406.18665	4.6
418.18927	1.0
436.19879	2.0
460.19836	11.3
478.20721	3.7
528.25708	1.1
588.26117	1.1
590.60614	1.0
617.57648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09380	0.8
53.83678	0.6
59.01384	35.8
61.98830	6.2
69.13510	3.8
69.13913	1.4
71.01382	2.7
73.02973	1.1
83.05022	7.0
85.02959	4.4
89.02462	1.4
101.02460	0.8
111.00903	7.5
113.06026	0.7
121.02972	100.0
122.03311	1.7
124.03685	0.8
160.04126	1.1
180.43011	0.8
185.03056	1.0
231.13809	0.9
272.85672	0.9
300.36182	0.9
426.19199	3.5
464.24506	2.9
478.22156	1.0
492.23886	11.9
510.17276	1.9
510.24973	32.7
511.25165	2.0
528.26074	20.3
529.26324	1.4
544.24640	1.8
545.25940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01707	0.6
60.81801	0.4
61.98832	6.4
65.40312	0.4
69.16730	2.4
71.01391	2.5
85.02988	0.6
89.02489	1.6
101.02444	1.1
113.02460	0.8
121.02994	0.5
132.02226	0.8
133.02989	1.1
134.03795	0.8
135.04538	0.9
143.31706	0.4
147.04517	0.4
150.81213	0.6
160.01674	5.1
161.02438	4.4
162.02893	1.3
162.65407	0.4
175.04021	7.5
176.04387	3.7
187.07703	1.1
191.05664	0.5
193.05133	0.7
201.05597	0.5
202.06357	1.3
203.06924	0.5
231.10370	0.7
232.10745	0.9
235.06186	0.4
389.58517	0.5
411.16876	1.4
412.17197	3.2
588.21509	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53311	0.6
59.01381	0.8
67.01886	1.2
85.02956	4.1
108.93757	12.5
111.00871	6.1
129.01962	2.7
148.21158	0.5
158.95300	1.5
160.91701	0.6
173.00935	2.0
174.94798	4.3
176.96376	13.4
184.93219	6.7
202.94307	100.0
203.94611	1.0
210.96559	0.9
228.92163	1.4
246.93280	68.7
247.93492	1.0
270.97760	1.9
341.10559	0.5
346.62149	0.6
395.62009	0.5
553.07373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01388	5.8
61.50140	0.8
61.98835	9.1
65.00293	1.3
65.65393	0.9
70.56322	1.6
71.01380	3.5
80.91628	1.2
82.95426	2.6
83.01401	1.1
85.02973	1.6
93.90018	1.0
101.02439	1.3
108.02167	1.8
109.02950	1.3
132.58188	0.9
148.01703	2.0
151.00410	4.6
160.84193	1.0
163.00447	1.4
171.10313	3.2
178.99860	3.4
199.03976	2.0
209.11899	1.3
226.02718	2.2
227.03499	3.3
229.94296	1.0
243.03030	14.5
254.02238	3.2
255.03012	28.9
256.03421	1.2
271.02505	66.4
272.02972	3.3
298.84158	1.0
299.01852	1.6
300.02780	100.0
301.03506	15.1
346.52197	1.0
385.72830	1.0
401.02158	1.1
547.10846	6.2
589.12012	53.1
590.12433	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	589.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.6
61.98838	6.5
65.00331	0.5
69.16999	2.6
71.01394	1.5
73.02971	0.5
78.91901	0.8
80.91685	1.8
82.31633	0.4
82.79813	0.5
82.95419	6.8
85.02976	0.6
88.98853	0.5
89.02471	0.7
93.00848	0.5
99.00875	0.5
101.02469	0.7
102.25100	0.4
107.01440	0.9
108.02204	1.3
113.02435	0.6
123.86031	0.4
135.00941	0.5
135.04492	0.5
148.01703	1.6
151.00385	2.6
152.01300	0.5
171.10364	1.4
178.99861	1.5
181.08679	0.7
187.04077	0.5
199.04019	1.3
201.02025	0.6
211.04091	0.6
215.03566	1.1
215.21486	0.5
215.56335	0.4
226.02769	1.3
227.03525	2.7
243.02998	10.9
254.02249	1.5
255.03009	22.5
256.03333	0.7
271.02505	55.2
272.03058	2.8
299.01950	5.9
300.02777	100.0
301.03363	5.8
386.82193	0.4
457.13150	0.5
469.08136	0.6
487.08951	1.5
529.09839	1.4
544.04858	0.5
547.10901	7.6
548.11566	0.4
589.12018	19.0
590.12250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01385	7.8
61.98836	6.9
71.01379	2.4
73.02977	0.6
78.91911	1.1
80.91707	1.4
82.95432	0.9
83.01429	1.1
83.05088	0.6
84.43816	0.5
85.02949	0.6
87.00902	0.7
89.02450	1.1
96.96049	0.6
98.21784	1.1
99.92627	0.5
101.02467	0.8
107.01414	1.0
108.02203	1.7
108.26727	0.4
109.03016	0.6
111.00917	1.0
113.02477	0.6
116.92870	1.1
135.00903	0.8
143.07216	0.9
148.01675	1.2
151.00371	2.5
163.00372	0.8
171.10280	4.0
178.99898	1.7
181.08736	1.9
199.04062	1.6
203.89799	0.5
209.11891	1.6
214.55878	0.5
215.03510	1.0
226.02724	1.3
227.03481	3.4
227.12827	0.7
243.03000	8.9
243.05235	1.0
254.02213	1.4
255.03008	23.5
256.03400	0.7
271.02505	57.8
272.03027	2.6
299.02051	6.4
300.02771	100.0
301.03238	5.9
440.05811	0.6
469.07892	1.5
529.10016	4.9
530.10718	0.6
547.10907	4.9
589.11981	18.3
589.30988	1.7
590.12128	1.3
602.90503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	25.2
60.62489	2.2
61.98836	43.6
66.47906	2.2
69.12957	12.7
71.01385	8.3
73.02962	4.1
83.01368	2.4
85.02963	18.3
87.00864	2.7
89.02461	6.6
90.22596	2.4
101.02454	6.5
111.00906	18.7
113.02443	5.1
118.03016	2.4
129.01981	3.5
160.80858	2.4
166.08348	2.3
183.27798	2.2
231.06612	5.5
253.04692	5.0
253.58908	2.5
271.05634	4.5
286.01727	7.2
324.05161	16.3
339.07504	26.3
354.09839	47.0
369.12210	21.2
370.12311	2.7
384.09579	5.3
384.14566	100.0
385.14905	4.4
397.10837	2.1
421.97632	2.3
435.23877	2.6
545.25909	7.4
589.28101	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43251	1.2
57.03469	1.6
59.01376	28.5
61.98835	26.9
67.01894	4.8
71.01394	14.4
73.02960	4.8
74.02445	1.4
75.00873	2.2
78.59669	1.1
82.95440	1.5
85.02956	87.3
86.03287	1.6
87.00882	2.8
89.02464	6.6
89.23952	1.3
94.66505	1.3
95.01431	1.3
96.96017	1.6
99.00877	1.4
99.05613	1.7
101.02458	8.9
111.00888	100.0
113.02442	7.1
118.02977	2.2
119.03487	3.3
121.02939	12.5
122.06105	1.4
125.02467	2.5
129.01945	20.2
133.02936	1.6
135.04526	2.4
136.40627	1.2
137.07182	1.3
143.03558	1.6
155.96552	1.2
159.06621	1.4
160.01741	1.7
161.02417	2.3
161.04576	4.0
165.06673	1.4
165.07939	2.6
165.99733	1.5
174.14555	1.5
178.08716	1.9
179.05621	2.9
180.10313	3.6
191.05600	4.1
209.05522	1.6
225.05202	3.1
235.02530	5.8
253.04710	8.9
271.05756	6.1
271.19138	1.6
286.01816	9.5
307.19141	2.3
318.04266	2.5
373.22540	1.6
433.24451	10.8
529.26709	4.4
545.26044	45.1
546.26453	5.6
589.30817	1.7
590.31738	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	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43251	1.2
57.03469	1.6
59.01376	28.5
61.98835	26.9
67.01894	4.8
71.01394	14.4
73.02960	4.8
74.02445	1.4
75.00873	2.2
78.59669	1.1
82.95440	1.5
85.02956	87.3
86.03287	1.6
87.00882	2.8
89.02464	6.6
89.23952	1.3
94.66505	1.3
95.01431	1.3
96.96017	1.6
99.00877	1.4
99.05613	1.7
101.02458	8.9
111.00888	100.0
113.02442	7.1
118.02977	2.2
119.03487	3.3
121.02939	12.5
122.06105	1.4
125.02467	2.5
129.01945	20.2
133.02936	1.6
135.04526	2.4
136.40627	1.2
137.07182	1.3
143.03558	1.6
155.96552	1.2
159.06621	1.4
160.01741	1.7
161.02417	2.3
161.04576	4.0
165.06673	1.4
165.07939	2.6
165.99733	1.5
174.14555	1.5
178.08716	1.9
179.05621	2.9
180.10313	3.6
191.05600	4.1
209.05522	1.6
225.05202	3.1
235.02530	5.8
253.04710	8.9
271.05756	6.1
271.19138	1.6
286.01816	9.5
307.19141	2.3
318.04266	2.5
373.22540	1.6
433.24451	10.8
529.26709	4.4
545.26044	45.1
546.26453	5.6
589.30817	1.7
590.31738	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	589.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42017	12.6
51.83059	11.7
57.11898	18.8
59.01378	100.0
68.55481	13.5
69.85468	43.5
75.00883	21.2
87.51109	10.7
103.01503	64.0
110.49995	12.2
264.18472	14.3
474.77954	15.7
570.36212	14.9
597.38348	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88506	0.7
69.05611	1.3
69.06008	4.0
72.99320	2.6
75.00881	100.0
75.83251	0.7
97.44998	0.8
106.12141	0.7
108.41261	0.7
129.86134	0.7
206.48691	0.7
511.07706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
57.48603	0.8
58.02970	1.4
59.01380	8.5
61.98835	16.7
66.62457	0.8
69.25744	0.7
71.01392	5.4
73.02963	2.1
74.02475	6.5
78.95937	0.9
80.05135	0.9
80.91707	1.4
82.02987	2.2
83.01385	1.6
85.02969	2.4
86.06087	0.9
88.98825	0.9
89.02459	3.3
90.03519	1.0
96.04564	8.9
96.96025	0.9
97.04082	3.4
98.02493	3.7
99.05652	4.0
100.00436	1.9
101.02477	4.1
106.02998	0.9
108.04559	6.3
109.04118	1.3
110.02473	3.4
111.00880	3.1
111.02021	2.1
112.04064	2.1
112.07695	5.1
113.02473	1.7
113.03554	1.4
115.74683	0.9
118.02999	36.0
119.03446	1.2
120.04575	1.1
121.02969	2.7
122.06154	4.7
122.99110	5.1
124.04041	4.7
124.83878	0.8
125.02660	1.1
125.03581	8.5
125.04458	1.0
125.04836	1.0
126.04313	0.9
126.05632	1.9
127.05134	1.4
137.07217	5.6
138.00198	4.4
138.05630	3.6
139.05168	4.4
140.01796	0.8
140.07249	1.1
143.04633	2.9
147.05655	3.4
150.00229	1.5
150.01945	0.9
151.05138	2.9
152.03561	6.9
152.99623	1.1
155.08270	3.5
156.03021	0.8
163.05156	2.1
165.06705	18.1
165.99692	21.1
166.05156	2.0
167.04716	1.3
178.01421	3.4
179.04660	3.3
180.03081	1.2
181.06279	9.2
182.06139	9.0
183.07823	1.6
191.04604	5.5
196.02522	2.6
198.02293	1.9
199.07248	2.1
209.05843	9.3
210.05606	10.2
214.03310	3.2
225.05191	31.3
226.05092	2.7
227.06708	5.1
231.06653	2.2
241.02124	1.3
242.02826	22.7
253.04668	86.1
254.05107	1.8
271.05728	61.5
272.06113	1.6
283.02615	0.9
286.01819	100.0
287.02072	3.4
293.84363	0.8
318.04416	48.4
319.04730	1.8
324.05484	1.0
384.14679	1.1
590.27686	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75535	0.6
51.12105	0.6
56.54177	0.6
57.03445	1.2
57.97564	0.7
58.02977	2.3
59.01384	9.6
61.75867	0.6
61.98836	20.1
66.91219	0.6
69.03456	1.3
69.34268	2.1
69.34674	1.3
71.01400	5.1
71.05025	1.3
73.02934	1.8
74.02473	5.2
78.03485	1.2
82.02974	1.2
83.01402	1.5
84.00916	1.1
84.04560	1.0
85.02960	2.4
86.06094	1.0
87.00880	1.5
87.05659	0.9
88.54133	0.8
88.98831	0.7
89.02464	4.3
90.03499	1.3
94.03020	0.9
95.01413	0.8
96.00942	0.7
96.04566	8.4
97.02959	1.2
97.04089	3.6
98.02464	3.6
98.06128	1.1
99.00896	1.4
99.04552	0.9
99.05640	4.4
100.00412	2.5
101.02463	3.4
101.55713	0.7
101.56363	0.9
106.02989	1.6
108.04552	4.0
109.04081	1.6
110.02478	3.2
111.00899	3.6
111.02014	1.6
112.04066	3.1
112.07699	5.2
113.02483	1.7
113.03577	1.6
118.03001	38.4
119.03498	1.2
121.02963	9.9
122.03766	0.9
122.06152	3.6
122.99146	4.8
124.04070	5.6
125.02454	3.6
125.03577	8.1
125.04439	0.9
125.04882	0.8
126.05626	1.9
127.05161	1.7
127.08901	0.8
134.02510	0.7
135.04524	1.8
137.07216	6.6
138.00209	3.6
138.05659	3.4
139.05165	4.3
140.01810	0.8
140.07181	1.7
143.03595	1.3
143.04646	2.6
147.05644	4.9
150.00230	0.9
150.01994	0.9
150.04378	0.8
151.05136	3.1
152.03534	7.1
153.04286	0.7
155.08278	4.2
156.03101	1.1
160.04076	1.3
161.57600	0.6
163.05185	3.0
165.06723	16.3
165.07991	1.9
165.99687	22.3
166.05127	2.2
178.01483	4.4
179.04649	2.4
180.10295	5.6
181.06323	8.4
182.04672	1.3
182.06120	8.6
183.07759	2.1
191.04556	4.7
193.04973	0.9
196.02533	3.0
198.02347	2.8
198.05676	1.2
199.07285	2.3
207.87930	0.7
208.04022	0.8
209.05606	11.3
210.05627	10.8
214.03339	4.4
225.05191	33.7
226.05191	3.1
227.06744	4.2
241.01886	1.6
242.02831	20.0
247.84380	0.7
253.04683	89.2
254.04912	1.6
271.05740	65.0
272.06027	1.3
286.01828	100.0
287.02161	3.6
293.78134	0.8
304.02921	1.2
318.04434	50.9
319.04654	2.0
410.25601	2.2
503.95386	0.7
590.11292	1.0
590.32135	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	590.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52158	0.2
51.01445	0.2
57.03454	0.3
59.01384	1.2
61.98835	100.0
71.01410	0.7
81.76538	0.2
84.19998	0.2
85.02984	0.5
87.00888	0.5
89.02479	0.3
92.51701	0.2
95.60963	0.2
99.00881	0.4
101.02470	0.2
113.02471	0.5
126.76145	0.2
135.04558	0.4
161.02463	0.4
211.29402	0.2
234.86472	0.2
267.07361	0.8
365.14893	0.3
429.10394	0.6
578.34259	0.3
590.18213	0.3
591.16339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81021	0.1
61.98833	100.0
65.64758	0.1
66.49341	0.1
78.11971	0.2
78.14156	0.1
132.60823	0.1
170.17163	0.1
292.20126	0.3
504.45837	0.2
535.26367	0.1
596.62830	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	590.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15818	0.3
60.74735	0.3
61.98837	100.0
62.31538	0.3
68.96223	0.3
69.20288	2.4
70.08366	0.3
78.83866	0.3
80.41229	0.4
86.48990	0.3
142.92670	0.4
143.97211	0.3
164.49530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52939	0.4
55.78832	0.4
57.08434	0.4
59.01385	7.1
61.98809	0.5
65.00335	0.5
69.19911	2.4
71.01405	2.3
74.73038	0.5
85.02991	0.5
89.02458	1.9
94.07785	0.4
99.87710	0.5
101.02453	1.2
107.01429	0.5
113.02500	1.0
117.03452	0.6
119.03514	1.0
151.00360	1.3
159.04515	0.6
161.13353	0.7
182.03728	0.4
183.04521	3.1
187.11308	1.1
205.12347	1.8
211.04004	1.6
227.03568	2.8
229.12418	0.9
249.11302	3.1
255.02997	38.3
256.03467	1.4
283.02499	100.0
284.02963	5.2
285.04068	12.0
315.35757	0.4
327.05057	0.7
399.07513	0.7
411.16605	0.7
415.06915	1.4
416.07523	39.3
417.08044	3.9
429.17587	3.0
446.21579	0.5
459.09488	6.2
529.84387	0.4
531.11383	1.6
531.20697	0.6
564.30493	0.5
591.13599	35.9
592.13916	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	591.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01387	5.9
60.99321	2.4
61.98825	0.4
64.20243	0.3
65.00329	0.7
69.15569	1.9
69.15971	0.5
71.01075	0.3
71.01389	2.3
73.02966	0.5
83.01368	0.7
84.95135	0.8
85.02959	0.8
87.00894	0.6
88.98814	15.2
89.02457	3.9
93.03466	0.9
99.04528	1.0
101.02445	1.6
107.01398	0.6
111.00874	0.5
113.02396	0.8
117.03492	0.7
119.03503	1.0
151.00374	1.3
154.75148	0.3
159.04578	0.5
161.04504	0.4
161.13503	0.5
169.06592	0.6
171.04449	0.5
173.06146	0.4
179.05598	0.6
183.04561	2.1
185.02519	0.5
185.06000	0.9
187.03917	0.4
187.11259	0.7
200.94597	0.3
205.12343	0.9
211.03914	1.9
213.05540	0.5
227.03545	2.7
229.05177	0.5
229.12415	1.0
239.03448	0.5
241.04939	0.5
249.11305	1.7
255.03009	34.9
256.03430	1.6
269.04654	0.5
281.04495	0.9
283.02493	78.2
284.03058	4.4
285.04062	100.0
286.04431	3.6
293.14078	0.6
301.26559	0.4
327.05173	4.1
336.70758	0.4
416.07516	15.2
417.08270	22.6
418.08908	0.7
429.17398	2.5
459.09015	2.0
590.31909	1.1
591.13629	24.4
591.22375	1.3
591.32410	1.4
592.13849	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1361
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
54.77081	0.7
57.03452	1.2
59.01383	10.7
61.98835	30.0
63.02397	0.6
68.10182	0.7
71.01387	4.6
71.42634	0.8
72.64352	0.7
73.02966	1.4
78.41019	0.6
78.95925	1.5
83.01406	0.9
84.95148	0.8
85.02966	1.4
85.98338	0.6
87.00877	0.9
89.02464	2.9
93.03509	1.3
98.79572	0.7
101.02447	2.7
107.01410	2.0
108.02294	0.6
113.02470	1.4
116.33762	0.7
119.03542	0.8
119.05013	0.7
121.02931	1.5
125.02409	0.7
132.02199	0.9
134.03722	1.2
135.00903	1.7
135.04492	0.7
137.02364	0.7
143.05031	1.1
149.04601	0.9
151.00407	2.2
152.99597	1.5
157.06593	0.9
159.04541	1.7
160.04034	1.0
163.00414	3.1
169.06677	0.8
178.05119	1.0
178.99950	0.7
179.03471	0.9
179.05536	1.6
183.04488	1.0
185.06099	2.4
187.04088	2.6
189.05524	0.9
193.05029	0.7
197.06207	1.0
199.04140	1.1
211.03999	3.0
213.05507	1.7
227.03520	28.1
228.03882	1.1
229.05093	9.7
239.03554	1.4
241.05112	1.5
255.02997	59.0
256.03647	4.4
257.04599	5.0
283.02597	1.9
284.03296	67.0
285.04059	100.0
286.04422	3.9
330.64346	0.8
531.11536	1.1
531.28033	0.8
549.12653	1.2
591.13580	54.3
591.28595	2.4
592.13757	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	591.1362
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
57.03433	1.9
59.01384	18.1
61.98834	15.8
63.02429	0.8
69.39537	3.2
71.01388	7.9
73.02939	1.7
75.00877	1.2
77.58238	0.8
78.95895	2.4
83.01384	1.8
85.02941	3.1
87.00889	2.0
88.98786	1.5
89.02462	4.4
89.02948	0.8
93.03470	1.0
96.96004	1.0
99.00882	1.2
99.04536	1.7
101.02451	5.8
107.01389	1.4
111.00935	0.9
113.02461	3.8
116.92860	2.6
117.41848	0.8
117.68910	0.9
119.03531	1.4
121.02958	6.6
125.02458	1.3
131.03535	1.0
132.02170	1.9
135.04544	1.9
143.03522	0.7
147.00894	1.0
148.09727	0.9
149.02455	4.6
149.04544	0.8
150.03310	0.9
151.00412	2.3
152.99583	2.9
160.01625	2.2
160.04010	1.7
161.04547	1.4
163.00371	1.2
163.04027	1.2
164.04794	3.6
175.00381	5.5
175.03966	4.6
179.03654	1.0
179.05444	0.8
179.07104	1.3
180.10352	1.2
183.04582	0.9
185.02400	0.9
185.06175	1.2
187.03996	1.0
190.02725	14.0
191.03494	1.0
193.05014	1.7
205.05074	11.9
206.05809	0.9
208.03815	1.1
211.04013	2.4
221.08154	1.5
223.06099	6.2
227.03520	30.7
229.05052	3.5
239.03487	1.7
242.81126	0.8
255.02995	65.0
256.03662	4.1
257.04562	2.3
265.07104	7.4
283.02505	9.2
284.03284	100.0
285.04059	44.9
285.07272	1.3
295.08121	3.7
325.09341	7.9
385.11194	1.2
387.23978	2.8
429.17911	1.1
459.09253	1.0
531.11444	5.2
531.27960	1.1
549.12689	1.6
591.13629	71.2
591.24414	6.3
592.13885	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	591.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86471	0.8
59.01385	10.5
59.75763	0.8
59.92836	0.8
61.98830	1.7
68.48929	0.8
69.20436	3.5
69.20830	1.8
71.01395	8.8
71.45164	0.8
73.02943	3.0
75.00886	0.8
77.25146	0.9
83.01398	1.0
85.02945	5.3
87.00890	1.5
89.02436	2.5
91.01900	1.1
93.03473	1.5
98.21907	1.8
99.68826	0.8
101.02445	7.3
111.00893	1.4
113.02436	3.5
119.01398	6.4
121.02966	11.1
125.02428	1.1
134.03729	1.0
135.04533	2.9
138.55087	0.9
145.02911	1.6
147.00902	4.6
147.04564	1.3
149.02444	17.1
160.04039	0.9
161.02440	1.1
161.04620	1.7
162.03220	1.1
163.04033	2.7
164.04816	19.8
165.02013	1.3
165.05476	1.1
175.00383	30.6
176.00922	1.2
177.01898	1.3
179.07143	3.0
190.02733	85.7
191.03189	2.8
193.01514	1.4
205.05070	95.6
206.05470	2.7
207.03000	1.1
208.03700	2.5
209.04544	2.5
223.06139	25.5
223.08093	1.4
265.07321	1.4
265.66934	1.0
369.12085	1.5
399.09232	1.5
414.11603	2.9
429.14029	100.0
430.14340	4.2
531.20245	1.0
548.56561	0.9
587.99127	1.0
591.19403	34.3
592.19818	3.1
609.15112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
61.98811	1.3
65.41044	0.7
71.01385	6.2
71.41193	0.7
73.02949	3.2
75.00797	0.8
83.01376	2.0
85.02946	3.7
89.02435	2.0
91.01916	1.2
93.03438	1.6
96.96011	0.8
101.02441	6.4
111.00861	1.4
113.02467	2.5
119.01408	3.9
121.02979	8.6
129.81618	0.8
134.03732	1.5
135.04527	2.8
145.03012	1.1
147.00882	4.8
149.02475	15.0
152.01213	1.1
161.04549	1.6
163.04022	2.6
164.04793	16.4
164.10829	1.6
165.01978	1.5
166.99826	0.7
175.00381	26.3
176.00845	1.5
179.07126	2.1
190.02727	73.3
191.03264	1.8
194.40506	0.8
194.52113	0.8
205.05070	89.7
206.05547	2.4
208.03799	2.0
209.04507	1.8
210.05078	0.9
223.06155	19.6
223.08269	2.0
252.99176	0.8
265.07114	1.7
369.11823	1.2
385.13376	0.9
414.11688	3.1
429.14026	100.0
430.14624	4.2
531.20032	1.2
591.19366	26.3
592.19556	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	591.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39603	3.1
56.36398	2.5
59.01391	14.4
61.98821	3.1
65.34734	2.5
69.24229	15.0
71.01362	6.4
73.02938	5.3
85.02950	4.3
89.02467	3.1
90.65664	2.5
95.22288	2.7
101.02448	6.7
113.02499	2.9
117.74475	2.7
121.02972	6.9
134.28896	3.3
149.02446	7.9
154.65846	3.0
164.04787	8.0
175.00401	16.4
190.02725	55.8
205.05069	62.0
206.05469	3.7
223.06160	10.9
429.14008	100.0
430.14200	6.0
575.90240	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	591.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
59.01384	44.5
62.99243	0.9
68.32195	0.9
69.23029	6.4
71.01386	21.3
73.02930	1.1
81.07111	1.7
83.01393	1.7
85.02966	3.5
85.23369	0.9
87.00874	2.5
88.98814	1.8
89.02452	19.1
95.01408	2.2
95.05054	1.2
98.22681	1.8
99.04521	5.7
101.02450	13.1
107.01436	1.3
107.05029	1.1
111.04523	1.6
112.55338	0.9
113.02448	6.7
117.03518	1.0
119.03511	8.1
120.05792	1.1
120.23334	1.0
121.03059	1.4
131.03511	2.4
143.03545	2.4
149.04568	1.6
161.04547	2.3
161.13373	9.4
163.00339	1.0
179.05605	8.3
183.04510	3.3
185.09720	1.6
185.13373	2.6
187.11285	19.3
187.12814	1.5
203.14462	1.7
205.12341	18.0
211.04013	2.1
219.13918	0.9
227.03497	3.0
229.12392	9.8
231.10294	1.6
247.13451	3.6
249.11311	33.6
255.03003	42.0
273.11249	1.0
283.02502	100.0
284.02896	5.5
285.04028	14.3
291.12341	6.2
299.51355	0.9
321.13449	1.9
351.14499	7.3
385.18622	2.4
399.07343	1.0
411.16559	6.4
416.07474	30.4
417.08289	3.5
429.17673	35.5
430.18039	1.6
431.88339	1.2
458.08551	1.7
459.09537	12.1
471.18918	3.6
501.19781	1.3
531.20789	12.3
591.13751	47.6
591.23529	8.0
592.14075	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	591.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
59.01389	100.0
61.98834	3.7
65.16592	1.6
68.06859	1.8
69.46842	8.7
71.01391	49.5
73.02954	5.3
81.07108	2.1
83.01398	6.6
85.02966	13.7
87.00880	2.3
88.98812	8.0
89.02451	44.5
93.03458	2.1
95.01410	2.5
95.05029	1.7
97.30022	1.9
98.22560	4.1
99.04501	9.6
100.59462	1.8
101.02453	35.2
108.22829	2.0
111.04524	2.9
113.02467	22.7
119.03522	21.4
131.03612	1.8
134.03746	7.2
135.03023	1.6
137.02435	2.7
138.01999	6.9
143.03554	4.0
148.31602	1.8
153.13239	1.8
157.06715	1.9
161.04601	10.5
161.13373	20.9
169.10248	2.5
173.13347	1.9
178.02765	2.4
179.05663	18.7
185.13374	4.5
187.11304	36.7
191.05595	1.9
193.05133	4.2
195.59346	1.8
203.14351	3.4
205.12352	48.8
229.12396	15.5
231.10336	2.5
241.12354	2.1
247.13441	5.3
249.11345	76.5
259.98425	2.2
267.12225	2.4
273.11230	3.7
281.06570	4.1
283.02542	6.2
285.04071	5.7
286.01627	3.7
291.12482	7.7
321.13449	4.5
340.83035	2.0
341.10736	2.9
351.14505	7.6
385.18643	6.1
411.16714	17.0
416.07507	2.5
429.17645	83.3
430.17914	3.3
471.18738	7.2
475.12430	11.1
475.75079	2.0
514.23718	1.9
531.20844	11.6
531.28497	4.7
591.13995	3.6
591.22992	22.9
591.31946	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	592.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14164	1.9
57.03450	2.3
59.01386	100.0
61.98838	25.8
66.64183	2.0
69.03450	6.5
69.13757	10.1
69.14165	4.0
70.56649	2.1
71.01391	44.9
72.99297	3.6
73.02937	19.8
75.00844	1.8
76.04773	1.9
83.01406	7.3
83.42799	1.8
85.02959	20.8
87.00876	2.6
88.04058	1.9
89.02454	23.3
93.03474	3.1
96.96015	7.3
97.02969	7.7
99.00883	2.0
99.04489	3.1
101.02454	31.5
103.01511	1.8
103.04021	27.5
113.02460	5.4
119.03498	10.9
125.02461	30.3
127.03978	2.3
131.03484	2.1
143.03583	4.0
145.05101	7.3
145.18622	1.9
161.04622	2.3
163.06145	36.4
164.17603	2.0
194.78197	1.9
223.06412	4.9
227.07199	4.8
244.44658	2.0
247.08231	7.1
249.59196	1.8
267.06622	3.2
275.36505	2.0
289.09442	2.8
307.10330	57.4
307.13651	3.9
332.07343	2.1
359.74661	1.8
398.02048	3.8
430.04434	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51276	0.3
55.01881	0.3
57.03465	0.3
59.01384	8.3
68.99828	0.4
69.03448	0.7
69.13493	1.1
69.13898	0.6
71.01392	6.4
73.02953	1.6
81.03465	0.6
83.01394	0.9
85.02965	3.1
87.00896	0.7
87.04537	0.4
89.02452	4.5
95.01428	0.5
97.02973	1.5
99.00898	0.6
101.02462	4.8
106.04261	2.2
111.00904	0.6
113.02482	2.6
115.04034	0.4
119.03519	2.2
121.02971	100.0
122.03280	1.3
124.01685	0.7
125.01005	0.3
125.02463	5.7
128.88303	0.3
131.03476	0.2
143.03522	4.8
159.03076	0.3
161.04613	2.8
164.10825	18.5
165.11250	0.6
168.29123	0.3
179.05685	0.8
180.12447	0.3
215.74292	0.3
245.06616	1.2
263.07739	0.8
268.70840	0.3
272.13040	0.6
305.08832	1.7
392.27353	0.3
470.20172	0.4
533.25793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98835	100.0
69.13773	2.1
69.14178	0.9
70.79211	0.4
82.25797	0.5
85.02946	0.7
89.02427	0.5
90.83894	0.4
99.78744	0.4
100.46788	0.4
114.41754	0.4
128.92670	0.4
156.87630	0.4
199.84598	0.4
217.00108	0.5
340.16699	0.4
340.21664	0.4
345.47916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.3
59.01380	35.4
59.90342	4.2
61.98837	100.0
70.08903	13.4
71.01395	12.7
72.99337	5.3
75.00866	4.4
80.54928	4.0
82.95436	4.7
85.02982	6.2
89.02473	7.8
99.04520	5.1
101.02443	9.5
111.00883	5.6
121.02937	4.4
132.88492	4.1
161.04535	4.5
186.03162	4.2
201.11432	5.7
210.68361	4.3
246.18388	4.2
279.51212	4.6
301.61536	4.3
342.75275	4.3
383.65988	4.1
430.37122	4.7
592.41168	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	592.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70398	11.8
57.55924	10.9
59.01380	58.4
61.98839	100.0
68.40349	11.3
71.01386	26.9
78.95902	40.1
95.19339	12.7
98.22635	29.4
99.00779	13.1
101.02450	20.1
113.02447	16.3
152.64952	13.1
152.99590	52.8
180.99983	13.6
496.79431	14.0
592.28699	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.3
67.43024	0.2
70.33308	0.4
71.45892	0.2
76.03175	0.2
77.03973	0.3
80.96520	0.8
87.76398	0.2
94.98107	0.2
108.60987	0.2
120.02172	3.6
121.02966	100.0
122.03291	1.2
165.01938	4.1
180.05768	0.5
181.06599	2.6
197.06078	1.7
207.04562	0.5
209.04568	52.3
210.04886	1.0
223.03902	0.2
225.00865	0.3
225.05574	1.8
251.07040	0.4
257.09689	0.5
268.89072	0.2
276.54855	0.2
301.08789	0.4
311.09564	0.2
313.07132	1.6
357.06140	0.8
363.79254	0.2
373.10852	0.2
383.07764	1.3
401.08939	0.3
417.09915	1.1
449.17813	0.2
505.11417	3.0
549.10461	6.2
550.11090	0.4
593.13007	8.4
593.26282	0.8
594.13696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
56.20142	0.7
57.03437	2.2
59.01384	34.4
60.07406	0.7
69.03469	1.4
71.01028	1.1
71.01388	18.3
72.99274	1.1
73.02948	7.8
75.00869	1.4
78.51484	0.9
79.23492	0.8
83.01407	5.4
85.02951	8.1
87.00876	2.4
89.01941	1.0
89.02451	11.6
93.03425	0.9
96.95967	1.3
97.02937	1.3
97.41672	0.8
99.00862	2.1
101.02444	17.5
101.95432	0.8
103.03977	2.4
111.00874	3.3
113.02443	6.3
115.04004	1.3
119.03500	4.4
121.02968	27.1
122.03288	6.0
125.02422	2.7
131.03453	2.1
135.04510	1.3
143.03464	2.3
149.04576	2.2
151.00349	3.2
161.04535	3.4
163.06161	4.5
164.10797	4.8
165.11082	1.4
169.06618	2.0
173.02368	1.0
174.11218	0.9
179.05577	1.5
183.04497	3.4
187.03981	1.4
189.05336	1.3
205.07156	2.4
211.04021	2.6
213.05493	1.9
214.02811	1.2
215.03401	1.6
227.03503	10.0
243.02875	1.6
255.03015	50.4
256.03577	2.5
257.04538	1.9
263.07727	1.1
283.02509	100.0
284.03217	17.9
285.04065	50.1
286.04330	1.5
309.04016	1.1
327.05002	2.1
369.19144	7.6
430.09091	21.3
431.09683	8.3
431.22964	1.8
447.09344	71.3
448.09601	3.0
473.11124	2.0
487.04791	1.0
488.82346	0.9
515.25067	29.5
533.26074	1.8
593.15039	49.0
597.17114	1.0
606.99976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92970	0.5
57.03452	0.6
59.01107	1.0
59.01383	8.0
63.02411	0.6
68.13561	0.5
69.10491	3.0
69.10895	1.3
71.01379	4.2
72.99284	0.5
83.01383	1.1
85.02974	1.2
86.10220	0.5
89.02447	2.6
93.03474	0.9
101.02457	2.1
101.53487	0.5
107.01392	1.0
113.02462	1.6
117.03500	1.4
119.03498	1.3
121.02982	5.0
122.03320	0.7
150.01656	0.5
151.00397	2.0
153.01854	0.7
155.05051	0.6
159.04555	1.1
164.10796	0.5
168.50259	0.6
169.06580	1.6
173.02371	0.8
173.06056	0.5
175.00334	0.6
183.04477	3.6
185.06116	1.6
187.04077	1.1
189.05615	1.2
211.04030	2.9
213.05534	3.0
214.02733	0.7
215.03554	1.6
215.76753	0.6
227.03546	5.9
229.05141	1.3
239.03610	1.0
241.01419	0.9
241.05032	0.8
242.02161	0.7
243.03014	1.1
255.03014	47.6
256.03641	1.5
257.04602	1.9
283.02509	100.0
284.03180	9.0
285.04074	63.0
286.04376	1.6
293.04614	6.8
299.01935	1.0
327.04996	0.6
413.08762	5.2
430.09079	21.7
431.09833	33.4
432.10370	0.7
447.09357	32.7
593.15167	56.4
594.15350	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81607	1.0
56.55985	1.1
59.01366	2.2
69.20444	1.9
69.20840	4.9
70.09827	1.2
71.01388	1.2
89.02455	1.3
93.03481	1.1
98.21912	2.4
101.02438	1.4
110.99386	1.1
113.02417	1.3
117.03486	5.1
135.04587	2.5
161.02383	1.7
175.03963	1.2
186.28459	1.1
191.03470	2.0
203.03413	1.7
205.05093	1.4
237.05345	1.3
282.05289	3.2
283.06165	2.6
284.04568	1.2
295.06079	4.8
296.06857	5.3
297.07693	19.2
307.06018	2.0
309.07620	1.9
311.05542	3.8
323.05573	3.7
324.06360	2.1
325.07141	9.8
328.05768	1.4
335.05673	2.3
337.07071	1.5
351.05029	1.6
353.06680	46.7
354.06842	2.6
365.06479	6.3
368.17227	1.3
371.44479	1.2
383.07776	24.2
384.08023	1.3
395.07626	2.8
413.08896	1.9
470.07217	1.2
473.10815	16.4
503.12155	3.3
593.15149	100.0
594.15582	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97734	6.0
58.99319	5.1
59.01378	12.2
69.11433	6.0
69.43105	11.5
69.43500	13.2
71.01389	10.5
76.33372	5.6
107.05045	16.2
122.24370	4.9
149.06079	17.3
163.98853	5.3
177.05583	26.0
179.03444	34.2
239.05634	100.0
561.68848	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	593.1522
Annotation	Kaempferol 3-robinobioside
Peak:m/z	Relative Intensity
54.78407	0.8
57.03429	3.6
57.81763	0.9
58.91529	1.0
59.01386	19.2
60.82123	0.9
61.98820	3.8
63.02408	1.2
65.00312	1.2
71.01021	1.3
71.01386	12.1
73.02945	2.7
75.00874	2.5
81.35152	1.0
83.01396	1.6
83.99107	0.8
85.02950	2.7
87.00891	2.0
88.98811	1.3
89.02446	9.4
90.72719	0.8
93.03470	3.1
98.21899	2.8
99.00857	1.1
99.04524	3.0
101.02444	7.1
105.72581	1.0
107.01379	2.0
108.02161	1.3
109.02949	1.1
111.00858	1.8
113.02468	3.1
116.92862	3.5
119.03497	2.5
119.05045	1.8
120.69982	1.0
121.02946	1.6
123.80424	0.9
125.02450	1.7
131.03551	1.3
132.02196	1.2
133.02921	1.1
134.03745	3.0
135.00861	1.3
135.04521	1.6
137.02435	3.5
143.04918	1.3
145.02911	1.5
149.02469	1.1
149.04454	1.1
151.00404	3.2
152.01163	2.2
153.01860	1.0
157.06647	1.1
160.01666	1.1
161.02434	3.2
161.04570	2.3
163.00366	3.0
163.03986	1.1
167.05078	0.9
169.06647	1.4
175.00316	1.7
175.04015	2.4
176.04781	2.8
178.02759	1.3
179.05644	2.1
183.04622	1.0
185.06050	2.5
187.04031	4.1
189.05482	1.5
190.02704	4.4
191.05618	1.4
193.05099	5.3
197.06146	1.5
201.05511	1.5
205.05074	3.6
205.12344	1.1
207.13773	1.1
211.04019	4.2
213.05551	2.2
221.06474	1.3
227.03519	34.7
228.03970	1.4
229.05055	14.0
239.03462	2.4
240.04243	1.4
241.05225	1.3
251.12817	2.9
255.03006	64.1
256.03635	5.7
257.04593	9.3
269.04590	0.9
283.02527	1.4
284.03278	69.0
285.04068	100.0
286.04272	2.5
292.08432	1.0
326.07764	1.0
327.05090	1.2
339.08762	1.8
357.13525	7.1
401.12646	1.8
413.12204	1.9
430.17960	1.5
431.19122	2.8
449.24173	1.5
475.12549	5.0
533.25745	3.3
592.33655	1.4
593.15149	94.1
593.25439	8.2
594.15100	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57412	1.7
57.03450	2.3
59.01381	18.0
68.22623	1.5
71.01393	6.2
73.02958	3.2
78.08543	1.8
82.26991	1.6
85.02962	1.7
89.02473	8.3
92.99200	1.4
94.22191	1.6
96.96021	2.7
101.02461	6.4
103.00410	2.3
108.14255	1.8
113.02470	2.1
119.03469	1.7
121.02961	13.5
125.02430	1.6
131.03520	2.9
135.04539	100.0
149.04573	6.7
151.00331	1.9
161.02440	2.9
163.04051	4.5
192.30449	1.6
225.03999	3.3
272.95880	1.9
297.07739	4.5
299.01804	1.8
325.07123	3.1
353.06647	6.3
367.16092	6.1
380.04282	1.9
383.07941	2.7
432.14639	1.9
473.11279	4.1
593.15442	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	593.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	2.4
55.69464	1.9
57.03437	2.4
57.21178	2.0
58.00587	2.0
59.01385	100.0
64.39992	2.1
67.52786	2.6
69.37476	2.0
69.39723	6.1
69.40128	4.6
71.01388	48.8
72.99310	5.4
73.02956	16.5
75.00872	7.8
83.01372	4.6
85.02966	14.3
87.00871	5.0
89.02452	72.5
95.01389	2.9
96.96027	2.3
97.02958	4.2
97.78362	1.9
99.00903	3.7
101.02451	45.9
102.02778	2.1
103.04022	2.9
111.00907	11.1
112.95164	2.4
113.02473	13.9
119.03495	10.1
121.02971	79.8
122.03310	23.4
125.02452	6.3
129.01915	3.1
131.03540	23.9
133.02966	7.8
134.03696	4.1
135.04529	2.5
143.03516	8.5
145.05049	2.4
149.04579	55.0
161.02409	2.7
161.04538	8.7
163.00401	3.0
163.06139	14.1
164.10823	8.2
165.11166	6.1
175.00235	2.2
179.05643	3.5
189.12933	2.4
191.05612	11.0
209.04509	2.1
269.04626	2.3
271.05344	2.2
284.03119	3.9
285.04062	17.1
297.04044	15.9
298.04865	68.9
299.05334	5.5
301.15738	2.1
309.04114	19.4
311.05701	3.8
325.03485	3.0
327.05103	17.9
330.03735	2.5
338.04398	3.5
339.05084	8.6
351.04718	2.8
357.06134	10.9
369.06302	3.0
388.34818	2.1
429.08386	13.2
449.24243	3.5
473.10931	27.6
474.11383	3.4
533.26349	14.3
551.26825	2.7
593.15161	76.6
594.15350	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20625	0.8
54.39365	0.9
55.20570	0.8
59.01386	7.8
60.99310	14.4
70.00296	0.8
70.35974	1.5
71.01387	3.2
72.99327	2.6
75.94046	0.9
81.03474	1.0
83.05028	3.1
84.82069	0.9
85.02953	2.2
87.00897	1.7
88.98814	100.0
89.02450	11.1
96.88146	0.8
101.02448	2.3
113.02472	2.1
116.84800	1.0
119.05020	1.0
149.04668	1.2
186.97440	0.9
225.16142	7.8
285.04074	2.1
367.27081	3.4
385.28363	1.3
431.13123	1.0
451.32922	11.2
593.32294	1.9
593.43799	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	593.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
57.45558	1.8
58.67648	1.7
59.01384	93.2
60.99313	9.9
61.98833	2.3
62.75007	1.5
66.16189	1.7
66.56732	1.7
71.01385	39.4
72.34433	1.8
73.02939	4.2
75.00862	4.0
83.01412	2.8
83.05015	1.8
85.02955	9.4
87.00882	3.5
88.98815	62.8
89.02447	51.4
95.01398	4.2
99.04507	2.9
101.02457	24.5
107.91264	2.0
113.02464	17.8
119.03503	14.2
131.03494	4.0
143.03484	2.9
159.46417	1.8
161.04489	3.1
165.12871	2.4
175.00357	2.2
179.05678	10.3
180.00325	1.6
189.12923	3.2
190.02672	3.3
205.05177	2.4
207.13913	25.0
209.11818	7.4
251.12852	7.1
255.87401	1.7
269.13959	27.6
287.09155	3.0
341.10916	29.3
342.11169	2.1
365.59232	2.0
413.18195	10.8
431.13684	3.1
431.18289	2.9
431.22955	5.7
485.15393	2.0
503.18857	2.1
515.19391	3.0
521.20514	2.3
533.20435	4.8
563.21222	3.4
575.21692	4.4
593.24536	100.0
594.24860	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	593.2636
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.67959	1.3
59.01386	1.9
63.96230	1.4
71.01383	7.9
73.02970	2.2
75.30542	1.2
78.98592	7.3
79.95746	11.7
80.96520	61.6
85.02953	3.0
87.00858	2.3
90.09953	1.1
94.98103	11.8
96.95979	1.7
98.21870	2.8
101.02431	1.6
106.98100	2.4
118.49462	1.3
121.02939	2.0
122.97573	2.9
125.02438	2.7
134.97583	5.1
142.36253	1.1
148.99112	4.7
152.98639	2.3
164.98634	8.7
206.99789	1.5
208.29492	1.2
225.00758	12.4
293.21207	2.5
299.04617	1.7
593.26361	100.0
594.26929	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	593.2639
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01385	1.4
61.98834	25.2
69.75876	4.3
71.01385	5.1
73.02975	2.0
78.98598	4.1
79.95740	30.5
80.96522	49.4
84.88250	1.2
85.02959	2.7
87.00874	1.7
93.89568	1.0
94.98103	9.9
96.96021	1.3
106.98116	2.3
107.34351	1.2
115.45653	1.1
121.02982	12.7
122.97588	1.9
125.02451	2.4
134.97600	4.0
148.99158	4.3
152.98697	5.8
164.98624	8.6
165.01923	10.9
193.20604	1.2
206.99716	2.6
225.00742	13.1
241.00343	1.4
269.13046	1.6
299.04498	3.3
371.06424	3.9
399.09552	1.4
441.15521	1.4
455.16101	3.3
486.04877	1.1
494.44632	1.3
593.26392	100.0
594.26923	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	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03047	0.8
68.27234	0.9
69.15614	2.3
69.16032	3.1
76.12578	0.9
78.95914	67.8
83.01335	0.9
89.38763	0.9
91.51006	0.9
96.96970	12.1
103.65525	0.8
112.42210	0.8
115.92377	0.9
129.12715	0.9
148.61470	0.8
150.98022	1.4
152.99611	100.0
153.99843	0.8
159.43341	1.1
171.00610	3.0
171.10300	2.8
209.11835	5.3
223.00150	11.3
224.88020	1.0
241.01215	26.1
259.02325	2.4
277.21768	47.2
278.22025	2.4
291.19611	1.4
309.20862	1.7
310.43655	0.9
315.04874	18.9
333.05826	1.5
533.81836	1.1
575.35968	1.3
593.27417	87.2
594.27637	5.5
605.68390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	4.4
69.03455	8.0
71.05033	2.4
71.39996	2.3
87.42194	2.0
91.42085	2.1
97.06595	1.8
123.08191	2.3
125.09748	4.7
143.54860	2.1
149.09698	2.9
151.11301	4.8
161.09729	8.1
179.10802	26.7
195.13860	11.1
197.11850	84.4
201.34081	2.0
209.12044	2.5
223.09708	5.0
227.13087	2.1
241.10887	15.2
277.21945	9.2
295.22818	50.5
296.23343	2.1
297.13428	7.8
312.56140	2.1
315.14459	18.3
454.31076	2.0
518.60681	2.4
593.36993	100.0
594.37231	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	594.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.9
59.01384	91.4
61.98837	100.0
71.01382	11.9
73.02934	2.4
73.85882	1.5
74.02486	17.4
83.01382	2.8
85.02960	7.2
87.00946	1.5
87.04552	1.9
88.98796	2.0
89.02477	3.9
101.02479	8.4
103.04025	46.2
109.31532	1.4
113.02445	3.2
116.92867	2.8
121.02969	13.1
125.02479	2.3
161.04536	1.8
191.05623	1.7
204.78737	1.5
227.03522	24.2
254.04617	9.4
255.02997	37.0
256.03677	3.6
284.03293	32.2
285.03989	4.5
286.07172	2.9
286.16956	1.7
449.27151	2.1
480.05911	1.6
531.11542	50.8
532.11713	2.6
533.33588	9.2
534.33466	5.4
590.85803	2.1
593.31732	4.8
594.31525	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.80868	0.3
64.67689	0.2
71.01393	0.5
73.02960	0.3
74.02499	0.9
75.00883	0.5
79.69596	0.2
83.01394	0.3
85.02986	0.6
88.98853	0.4
98.22657	0.8
101.02463	0.5
111.00920	0.2
113.02480	0.3
121.05421	0.2
128.06636	0.3
142.67245	0.2
150.05592	0.3
161.04568	0.3
227.03548	4.8
239.03589	0.3
255.03003	8.3
256.03821	0.7
269.04565	0.3
283.02603	0.7
284.03293	7.9
285.04047	5.9
470.47720	0.3
471.09280	1.5
531.11487	10.0
532.11902	0.8
594.20758	0.3
594.31702	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.8
61.98836	100.0
69.99777	0.4
70.91236	0.7
71.01395	0.6
73.02976	0.7
84.95097	0.6
85.02979	0.4
87.00889	0.6
88.98831	1.2
89.02479	0.7
101.02459	0.5
124.83887	0.4
163.27948	0.4
190.02882	0.5
205.05074	0.6
227.03526	4.6
249.65913	0.4
255.03008	7.5
256.03687	1.0
283.02597	1.5
284.03314	8.4
285.04004	2.8
454.80881	0.4
471.09515	0.8
531.11401	11.0
532.11755	0.5
536.23834	0.4
585.77393	0.6
594.26263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.1
59.01381	94.0
61.98826	4.6
65.99941	3.2
69.65362	6.2
69.65736	5.3
71.01400	27.8
72.99314	3.6
73.02941	45.6
85.02948	17.8
87.00898	6.9
89.02440	33.1
89.18098	3.8
101.02442	68.3
103.04013	29.9
113.02442	6.6
114.31073	3.2
115.03997	10.8
119.03481	14.8
121.02954	17.2
125.02378	6.2
131.03508	12.0
137.09680	3.6
138.01956	13.3
143.03497	11.8
145.05098	7.8
149.04559	8.4
149.09729	32.4
153.09233	10.6
163.06137	100.0
167.09483	5.4
167.10768	53.5
205.07149	29.4
225.14998	5.5
232.89961	3.3
244.16432	4.1
265.09222	10.1
268.21506	3.4
306.78119	3.6
307.10205	3.9
405.21341	6.9
424.47211	3.8
551.27069	90.0
552.28137	4.8
594.13837	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	594.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.3
59.69358	0.2
61.98835	100.0
68.29485	0.2
69.11063	0.8
69.11485	0.7
226.39569	0.3
385.31113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01383	100.0
59.43898	0.5
61.98835	16.8
69.13348	2.7
69.13749	1.1
71.01400	2.8
73.02956	0.7
75.00857	0.8
78.95888	1.1
83.01421	0.6
85.02962	1.4
87.00927	0.6
88.98853	0.6
89.02472	1.6
96.96032	0.9
99.00900	0.6
99.04542	0.8
99.92613	0.5
101.02480	2.2
103.53030	0.5
109.02995	0.8
113.02477	0.5
114.95066	0.4
116.92843	2.5
119.05051	1.1
121.03001	0.5
128.75075	0.5
137.02516	1.2
150.03206	0.5
152.99654	1.0
156.75752	0.6
160.01811	0.6
160.04163	0.7
163.04021	0.7
165.01959	0.9
175.04024	0.5
179.03625	1.1
190.02815	0.7
194.02989	0.5
205.05164	1.1
304.02844	0.5
433.15247	0.7
594.30090	2.3
595.22125	1.5
595.30090	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	595.1309
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01388	7.1
61.98864	0.5
68.18507	0.6
68.93311	0.6
71.01376	3.4
73.02962	0.7
83.01415	0.8
85.02966	0.8
87.00881	0.7
87.04545	0.8
89.02451	4.4
93.03461	0.7
96.96000	0.7
101.02473	3.0
107.01430	1.4
108.12292	0.6
109.02976	1.3
111.00877	0.9
113.02422	1.0
121.02966	1.6
131.03534	1.4
138.01981	1.2
145.03125	0.8
149.04544	3.8
151.00407	7.2
165.02063	0.6
178.99899	1.6
183.04626	0.8
191.05655	1.1
199.04005	3.8
201.01949	1.1
215.03574	2.1
227.03531	4.1
240.12914	0.6
242.02194	0.7
243.02991	4.4
253.03540	0.8
255.03102	2.0
271.02505	60.0
272.03049	1.2
299.01999	100.0
300.02725	12.5
301.03555	40.6
302.04025	1.3
313.03568	0.8
341.00409	0.6
343.04654	0.8
415.15405	0.7
432.07068	1.6
433.07776	18.1
433.13882	1.3
434.07785	0.9
462.08072	37.4
463.08859	24.1
549.25446	1.7
595.13098	80.1
596.13403	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	595.1309
Annotation	6-Hydroxyluteolin 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
50.43544	1.0
55.47205	1.0
58.84235	1.0
59.01377	12.5
65.94518	1.0
69.27273	2.3
69.27670	6.0
71.01392	6.2
73.02953	1.6
85.02953	2.1
87.62311	0.9
89.02452	7.5
92.72630	0.9
95.01399	1.2
101.02429	3.6
107.01376	2.9
109.02999	1.3
113.02444	2.0
116.94180	1.2
119.03493	1.0
120.02251	1.2
121.02296	1.2
121.02977	11.8
131.03517	1.5
138.03282	1.3
148.01707	2.0
149.04568	2.4
151.00374	11.7
163.00327	2.4
177.46507	0.9
178.99850	6.5
183.04446	1.7
203.03516	2.4
209.04626	8.5
211.03989	1.7
226.02718	1.4
227.03453	3.9
229.05070	1.3
231.06505	1.1
243.03017	9.2
245.04454	1.1
254.02191	2.5
255.02968	24.2
256.03238	2.4
271.02509	52.9
272.02942	3.2
283.02460	6.1
284.02911	2.7
285.03601	3.3
287.04575	2.0
299.02084	1.7
300.02762	100.0
301.03534	42.6
343.04190	1.1
358.10300	1.8
373.12811	4.2
385.12964	1.7
431.09625	1.5
432.10034	2.0
433.09930	1.2
433.15366	7.6
449.09702	1.3
535.27484	2.2
595.13019	90.3
595.29114	3.8
596.13281	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	595.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
59.01382	47.1
61.98838	100.0
71.01392	26.5
71.42561	2.7
73.02956	8.4
75.00877	4.4
77.43885	2.1
85.02960	10.8
87.00878	3.6
87.06411	2.2
87.44501	2.4
89.02464	17.2
93.03494	3.9
95.01408	2.9
101.02461	22.2
111.00854	3.3
113.02470	12.2
116.92858	11.0
119.03510	7.1
120.52155	2.0
121.02972	6.7
123.00843	2.7
125.02444	6.6
126.99553	11.3
131.25711	2.0
134.03844	3.1
137.02461	2.9
143.03549	3.1
151.03172	3.0
161.04555	4.7
167.06357	64.1
175.03989	3.5
179.05670	8.4
191.05733	4.0
211.05341	35.0
230.03246	2.7
255.02869	4.7
256.03360	4.6
257.80334	2.3
261.70477	2.5
285.03647	4.2
323.09964	4.2
532.11890	8.6
535.27454	3.5
564.22491	9.1
595.24847	4.3
595.33435	7.8
596.25116	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	595.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52518	0.8
57.03451	1.8
59.01382	28.5
61.98829	4.1
62.69756	0.9
67.01902	1.3
71.01388	17.4
71.04118	1.3
72.99305	1.4
73.02934	4.7
75.00880	4.4
79.94053	0.9
83.01398	2.5
85.02959	5.6
87.00866	1.9
88.98837	1.1
89.02451	17.8
91.05540	1.1
93.03487	1.6
95.01402	9.4
96.96032	1.7
97.02951	2.1
99.00873	1.3
101.02448	8.2
102.65003	0.9
107.01374	1.7
107.05042	1.4
109.02953	3.2
111.00910	5.5
113.02455	6.2
116.92810	1.1
119.03508	4.0
119.04948	0.9
121.02966	2.3
123.00907	11.6
123.04533	1.5
124.01662	3.2
125.02460	4.3
131.03525	2.6
134.03783	2.2
134.24203	1.0
135.04518	4.5
136.00363	1.7
137.02454	4.4
138.03197	6.3
139.00398	7.2
139.04012	3.7
143.03546	1.1
145.02957	1.8
147.04510	1.3
149.02434	2.9
149.04500	1.3
149.05885	1.0
151.00388	6.5
151.04120	1.2
152.01161	1.7
153.01889	2.9
153.05553	2.2
160.01563	1.5
161.02417	2.0
161.04506	1.3
162.03238	3.8
163.04033	2.6
165.05554	1.1
166.02747	5.0
166.15225	0.9
167.03473	1.8
175.04041	3.4
176.01154	1.7
176.04851	1.6
177.01945	3.8
177.05551	4.0
178.02769	2.6
179.05678	2.4
181.05099	5.5
189.02014	1.4
191.03563	2.8
191.07082	1.0
192.04305	7.2
192.07965	1.2
193.05060	8.5
195.06644	1.4
203.03531	3.3
204.04361	2.7
205.05060	1.4
207.06650	5.3
218.05879	4.9
219.06691	1.5
233.04506	1.1
255.02925	1.3
271.02417	1.5
285.03180	1.3
299.09146	1.3
300.02704	2.6
301.03613	8.2
339.09100	1.2
341.10349	1.5
343.08243	3.3
355.08218	2.3
357.09827	3.2
358.10547	14.7
359.11258	1.5
372.12247	1.2
373.09515	1.7
373.12973	32.1
385.12842	1.4
387.10751	1.3
403.09940	3.5
403.14444	12.4
417.11984	1.7
418.12726	6.6
419.13312	1.6
433.15051	100.0
433.24591	4.1
434.15323	2.9
459.38507	1.1
559.17261	1.3
562.52808	1.2
565.15216	2.1
580.18341	2.9
595.20294	51.6
595.29681	17.8
596.20850	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	595.2037
Annotation	Staunoside C
Peak:m/z	Relative Intensity
55.01876	1.1
59.01380	11.4
60.95760	0.9
61.98830	2.2
69.49931	3.7
71.01387	7.6
73.02942	3.4
74.70863	0.8
83.01405	1.5
85.02956	4.7
87.00883	1.3
89.02473	4.7
95.01415	2.0
99.00874	1.3
101.02463	7.1
107.05035	2.3
108.02203	1.2
111.00883	1.9
113.02457	3.3
119.03505	1.2
119.05038	1.8
121.03056	0.9
121.06575	1.0
123.00903	3.3
124.01660	2.3
125.02521	1.1
125.42158	0.8
127.00389	1.0
134.03801	0.8
135.04501	3.1
137.02454	1.2
137.06172	0.8
138.03226	5.9
139.00400	5.6
139.03990	3.0
141.01939	0.7
143.03502	2.4
143.07190	1.3
145.02914	2.2
147.04510	2.8
148.01665	0.8
149.04724	0.8
151.00400	3.2
152.01144	1.6
153.01965	1.4
153.05576	1.7
159.04510	1.6
161.02502	1.6
161.04561	3.6
161.05821	1.0
162.03271	1.8
163.04041	4.1
166.02744	7.1
167.03482	0.8
173.02469	1.1
175.04001	3.0
176.04802	1.1
177.01949	1.8
177.05522	4.1
179.03488	1.5
179.05664	0.9
181.05112	6.7
188.01112	1.2
189.01897	1.5
190.02785	1.6
191.03526	3.5
192.04285	1.3
193.05072	2.6
203.03476	4.8
204.04340	2.6
207.06563	1.2
218.05917	4.9
219.06651	1.5
221.04558	1.7
233.08327	1.0
235.05984	1.7
236.06934	1.2
243.03046	1.5
251.09160	3.4
255.02998	3.3
271.02588	5.5
299.99557	1.3
300.02740	10.8
301.03540	5.2
315.08701	1.0
339.05060	1.5
339.08859	0.9
343.08127	2.7
353.10236	1.1
355.08127	2.7
357.09790	1.6
358.10605	13.5
370.10614	1.8
373.12994	24.9
373.22208	3.1
385.12885	1.8
403.09775	5.9
403.14246	3.2
417.11896	2.6
418.12848	6.4
419.13559	1.9
433.15057	100.0
434.15414	5.3
535.27545	10.5
565.15765	2.3
595.12628	7.6
595.20422	28.4
595.29736	1.8
596.20660	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	595.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82848	2.8
59.01371	13.4
61.98830	5.0
63.44012	2.6
69.70584	9.7
70.63531	2.7
71.01375	7.5
72.74715	3.3
75.00910	4.2
83.05041	3.5
83.07391	3.0
84.90160	3.1
85.02979	3.9
87.00846	4.4
89.02444	8.2
101.02435	7.2
107.05009	3.7
125.02422	3.4
161.04414	4.1
163.11269	4.2
182.15564	3.1
191.05519	4.2
197.11844	13.9
200.67616	2.6
207.10175	4.2
209.11848	51.9
225.11369	3.1
232.64381	3.2
253.09285	26.1
271.53329	3.0
277.18185	6.4
287.16473	8.1
295.18900	3.8
297.93826	3.4
305.17581	71.7
315.46616	3.4
323.18665	20.0
461.20337	9.0
490.20694	4.4
541.26587	100.0
542.26953	5.7
559.27649	34.0
595.25171	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	595.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71104	0.8
57.03463	1.2
59.01384	15.9
60.99310	15.3
61.98830	2.0
69.10913	5.5
71.01383	7.3
72.99307	0.8
73.02944	1.2
83.01391	1.4
85.02950	2.9
87.00883	2.2
88.00393	0.8
88.98815	100.0
89.02454	19.8
92.97503	1.5
98.22678	1.8
101.02450	5.4
109.05572	0.8
112.09846	0.8
113.02460	3.6
119.03511	3.2
131.03452	1.6
143.03481	0.9
164.04745	1.1
164.54120	0.9
175.00348	2.3
190.02722	5.3
205.05096	5.8
223.06000	1.0
256.36502	0.9
476.31500	1.0
500.95334	0.9
505.25980	1.3
506.70300	0.9
535.27460	2.2
553.28387	2.1
595.28558	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	595.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16454	2.1
59.01385	100.0
65.64492	2.0
69.95599	8.0
71.01387	63.3
73.02946	8.3
85.02955	6.8
87.00886	5.5
89.02451	94.6
96.96025	6.3
101.02457	38.6
111.00887	2.6
113.02477	11.6
119.03514	5.9
125.02432	3.7
125.86629	2.2
131.03511	37.6
133.21800	2.3
149.04573	99.2
149.05826	4.7
191.05647	17.1
219.87555	2.6
220.21730	2.2
271.02570	3.6
299.02060	8.3
301.03476	3.9
301.08420	4.7
311.09622	2.8
373.11581	3.2
433.14853	2.9
437.20288	6.8
462.07761	3.3
535.23914	7.1
595.12268	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86639	0.4
53.97819	0.4
57.03460	0.7
59.01386	6.0
61.98848	0.7
71.01389	2.9
72.99334	2.2
73.02942	0.5
75.00882	100.0
76.68520	0.4
83.01379	0.8
85.02983	1.3
87.00893	1.1
89.02462	3.1
93.03473	1.3
101.02439	2.3
107.05021	0.5
111.00913	0.7
113.02474	1.2
119.03535	0.5
119.05042	0.7
120.02180	0.6
121.02975	6.4
123.04572	0.6
125.02438	1.1
135.04601	1.3
136.01691	0.7
137.02493	1.9
149.04602	1.7
149.05872	0.5
149.85614	0.5
151.04028	0.8
161.04585	0.7
163.04163	0.6
166.08783	1.0
173.38725	0.5
175.04137	0.5
191.05667	0.9
207.14015	0.7
209.04614	4.4
210.57896	0.5
258.89828	0.5
259.06137	1.1
272.14893	0.5
327.12610	0.6
373.12894	0.8
433.15213	4.1
434.15546	0.7
471.72482	0.6
519.24420	3.0
535.24707	1.1
549.25940	0.9
563.26062	0.5
595.20404	1.7
595.29572	0.8
600.04761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2794
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01390	5.7
59.89716	0.9
62.07989	0.8
64.69297	1.1
71.01386	5.7
78.98605	5.5
79.95741	9.2
80.96524	59.6
85.02956	1.9
87.00887	2.5
94.98097	11.9
96.96017	1.3
97.02969	2.4
101.02437	1.4
106.98095	2.2
111.03229	0.9
122.97608	3.6
125.02451	2.6
134.97591	5.2
148.99112	4.9
152.98634	3.1
155.10123	0.9
164.98653	12.2
202.71227	1.0
206.99721	2.5
225.00784	13.2
297.04898	1.0
299.04404	2.7
326.78040	0.9
331.88147	0.9
357.58374	0.9
402.01440	1.0
595.27979	100.0
596.28448	6.3
605.40643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
56.30873	1.6
66.38561	1.6
66.72466	1.7
67.32211	1.6
69.16044	7.2
78.95911	59.2
83.91864	1.6
89.43573	1.7
89.91823	1.7
91.96755	1.8
96.96965	10.4
98.22675	3.5
152.99608	100.0
171.00626	4.2
223.00121	10.1
241.01190	27.3
279.23315	70.8
280.23590	2.3
315.04950	19.6
315.08264	2.9
333.06055	2.0
429.73590	2.1
595.29010	82.4
596.29681	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	596.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75795	0.3
55.31427	0.3
59.01385	3.8
60.01712	0.5
61.01813	0.3
61.98835	100.0
63.18292	0.3
71.01394	2.1
71.41132	0.4
73.02943	0.6
75.00862	1.5
85.02977	0.6
87.00909	0.4
88.98803	0.3
89.02470	1.4
90.88394	0.3
99.00886	0.3
101.02464	1.3
113.02522	0.6
115.50837	0.3
116.16579	0.3
119.03498	0.5
119.05061	0.7
125.02479	0.5
135.65105	0.3
145.05287	0.3
147.58424	0.3
149.04582	0.4
161.04605	0.5
163.04036	0.7
163.06207	0.4
164.06435	0.3
208.14345	0.3
237.89798	0.3
245.05457	0.3
534.26941	0.4
535.27014	0.5
536.26843	1.8
542.97150	0.4
592.40991	0.3
596.29980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56078	9.3
56.81394	9.3
59.01384	100.0
61.98843	18.7
67.76479	7.9
69.06685	63.2
71.01374	24.6
73.02924	10.9
75.86760	10.7
80.06021	8.1
85.20470	7.5
89.02451	14.2
100.91766	8.7
101.02443	20.9
113.02449	9.2
155.87837	7.5
161.04582	10.4
172.10216	8.8
202.73016	8.4
225.48404	10.1
383.72626	9.2
414.11575	9.0
436.14389	9.5
477.65320	8.3
511.29086	25.3
553.30371	20.0
592.65405	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	596.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.7
60.99308	1.2
61.98832	41.2
63.99249	1.4
69.04499	0.7
70.03001	0.8
71.01379	2.4
73.02938	0.8
73.04071	5.0
75.21960	0.8
83.02509	2.4
84.00910	2.1
88.00437	0.9
88.12215	0.7
88.98811	8.4
89.02454	1.2
95.02512	3.1
95.64975	0.7
98.22717	1.4
99.02009	3.0
101.02460	1.8
112.05164	2.5
113.03568	4.5
121.02906	1.8
129.10353	7.5
130.06235	5.9
139.08807	3.3
140.07179	1.0
141.10326	2.1
143.11951	0.8
145.03033	0.9
151.08786	7.0
152.07155	1.0
154.08719	0.8
155.08278	2.6
156.04085	1.2
165.10483	0.9
168.11423	5.4
169.07307	2.7
169.09816	7.1
182.12973	1.9
186.12480	12.1
187.08340	5.1
193.05051	0.8
197.16594	0.8
198.12437	1.0
200.14281	0.8
207.14998	3.0
212.10391	1.9
224.17618	2.6
225.13580	10.4
225.16020	2.5
226.11963	1.1
241.25206	0.7
242.18781	4.4
243.14606	9.7
255.03004	1.2
256.20050	0.7
265.13538	0.7
268.16693	1.0
273.82074	0.7
281.19937	5.9
284.03140	1.1
285.03882	0.7
299.20941	7.1
300.16830	1.8
340.16241	4.2
356.22937	1.9
357.18854	5.1
396.22549	7.8
413.25287	8.7
452.28915	1.4
469.31406	2.0
533.11865	1.7
551.20148	1.1
564.22510	2.2
566.33099	100.0
567.33368	5.1
578.32513	1.5
596.34015	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	596.9396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26767	1.1
56.71369	1.1
67.01885	1.1
67.60689	1.0
70.11596	1.8
70.11900	1.6
80.24460	1.1
85.02956	3.3
90.97111	1.2
94.16730	1.0
98.22536	1.3
108.90440	1.0
111.00878	9.5
129.01962	2.7
156.98128	1.2
158.99715	2.3
173.98424	1.2
184.97670	7.1
192.93420	2.2
217.76192	1.2
226.01572	1.2
228.96782	1.8
230.95029	2.8
232.96625	6.0
240.93437	1.7
246.94582	1.3
251.99551	6.6
256.92889	1.8
258.94470	26.4
274.97604	1.6
280.96826	2.0
282.99167	1.9
283.98730	1.2
288.94049	1.3
290.95724	3.1
296.96066	5.4
298.97577	10.4
300.99130	3.3
306.94794	6.1
308.96896	15.5
312.95602	1.2
314.97177	1.4
316.93591	3.2
324.95547	34.1
324.99399	1.7
325.95850	1.9
326.97119	61.0
327.97513	2.3
334.94781	20.0
340.94940	4.5
350.72348	1.2
352.95050	100.0
353.95041	1.2
360.92801	12.1
367.00388	2.6
369.01956	2.3
370.96011	1.6
376.98685	1.9
378.93021	58.2
394.99832	6.1
396.93915	5.6
404.90854	1.9
420.97528	2.1
422.92188	90.7
423.92886	1.8
440.92896	5.1
446.95560	9.4
464.96585	9.9
508.95432	5.3
552.94574	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01121	2.3
59.01384	26.1
61.98850	7.9
62.99084	1.5
67.45270	1.5
71.01034	1.4
71.01395	21.3
71.41795	2.4
73.02959	7.8
75.00887	3.3
83.01392	3.5
85.02956	5.2
85.04270	1.7
87.00875	15.0
89.02461	17.6
93.03436	2.7
97.02924	1.8
99.00900	6.4
99.15324	1.4
100.01653	3.1
101.02455	13.3
109.03004	2.1
111.00901	10.7
112.98803	2.7
113.02428	3.6
121.02923	4.5
122.03783	12.5
123.00912	4.3
125.02437	1.7
131.03517	8.1
133.03030	2.1
135.04517	2.9
142.99857	3.3
149.02475	16.2
149.04559	6.2
150.03250	88.1
151.00273	2.1
151.04001	6.4
153.01883	1.4
161.02432	4.0
163.04008	2.3
164.04794	7.2
165.05583	100.0
166.02731	4.2
166.05014	3.6
173.00948	4.1
174.01727	4.9
175.04008	4.5
176.04779	3.6
177.01770	1.5
178.02740	1.6
178.06306	2.5
179.03542	4.2
179.07188	6.2
180.04263	6.6
181.05052	6.7
190.02625	1.9
191.03560	3.5
191.05554	2.8
191.07117	2.5
193.04999	3.0
193.08714	2.6
194.05814	3.0
195.06642	53.3
203.03403	2.6
205.05179	2.4
209.08183	6.2
218.43381	1.5
219.03009	2.1
221.08199	5.4
237.07658	2.0
247.02466	4.4
249.07661	2.9
261.04141	2.1
262.04797	4.4
264.06348	2.7
265.07111	4.6
276.06448	2.2
277.07178	10.3
304.08295	1.5
312.09943	2.2
327.12524	7.4
337.09283	30.4
375.14456	2.8
399.14413	2.5
435.12720	2.1
461.14578	23.6
462.14771	2.2
473.14633	2.1
497.12967	1.8
521.16577	2.8
533.16504	2.5
537.25568	19.3
579.17316	10.4
597.18152	61.6
598.18964	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87267	3.4
55.79113	3.1
56.68443	2.9
59.01382	15.0
60.59777	3.1
61.98839	12.6
63.51297	3.1
64.82513	3.6
67.02964	3.1
69.11377	11.2
69.11796	10.7
71.01414	8.7
77.97321	3.1
84.56624	3.0
85.02969	4.3
88.13652	3.8
89.02482	5.3
100.45066	3.4
101.02478	7.7
122.87707	3.1
133.91689	3.3
138.71806	3.1
145.93237	3.1
153.09283	3.7
165.36143	3.4
171.10291	11.3
185.11845	4.5
197.11861	4.6
209.11896	27.9
230.09908	3.5
253.09332	31.5
289.18030	8.2
307.19165	100.0
325.20242	43.0
392.89456	3.3
465.80759	3.9
474.21170	9.9
543.28217	83.5
544.28662	4.3
561.29468	18.7
597.26886	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	597.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60246	3.2
57.03447	10.8
59.01388	43.6
60.99299	16.3
61.98835	42.6
71.01377	25.0
72.99316	11.9
73.02968	5.9
78.91903	4.7
83.01413	4.3
84.31992	3.6
85.02949	9.7
87.00876	7.7
88.98814	100.0
89.02460	25.3
99.04520	10.6
100.26153	3.3
101.02468	18.5
113.02450	7.6
119.03484	5.2
121.02955	6.0
125.02477	4.6
127.07664	4.9
148.27742	3.8
149.86070	3.7
159.90065	3.9
161.04565	5.8
197.11880	26.2
197.13402	4.9
199.13432	12.8
209.11824	5.5
215.12871	8.2
227.12944	48.5
229.14490	21.3
241.83641	3.7
245.19040	3.4
253.09354	38.3
289.18100	11.8
297.20776	9.0
307.19177	34.9
308.19443	4.8
433.20840	18.2
453.25275	5.1
463.22018	64.0
463.28479	6.6
465.28870	4.5
495.26190	3.9
543.28027	32.5
544.28711	3.9
597.29419	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	597.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03002	2.5
59.01387	26.7
61.98836	100.0
63.99275	2.4
71.01395	13.7
75.00908	4.2
75.98360	3.0
76.97382	2.4
85.02990	3.2
87.00927	2.7
87.94053	2.4
88.98808	3.1
89.02449	7.0
98.21868	5.5
101.02469	5.1
111.00887	3.0
113.02449	4.4
119.03496	2.5
121.02984	9.8
123.00919	3.2
126.72047	2.8
131.88689	2.5
152.03525	2.6
153.09207	3.9
160.01636	4.2
162.65411	3.1
171.10307	9.4
175.04059	3.2
176.57846	2.4
179.10625	2.7
185.12010	2.7
193.05093	3.6
197.11942	2.7
209.11925	15.8
215.62753	3.0
253.09326	15.3
289.18207	4.2
307.19202	54.9
325.20209	26.0
345.09039	3.1
474.21243	4.0
543.28271	45.7
544.27808	3.2
561.29010	10.3
565.22943	4.8
597.26843	28.2
597.35388	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	597.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	8.6
59.01383	81.7
62.05639	4.6
66.52313	5.2
67.78648	4.3
69.89577	11.0
69.89946	8.3
71.01387	57.4
73.02932	7.8
85.02933	10.8
89.02451	90.3
89.44779	4.9
89.88981	4.4
101.02464	36.3
113.02466	10.3
119.03448	5.9
131.03517	36.3
149.04573	58.8
149.09703	22.3
153.09244	10.8
163.44022	4.5
167.10783	26.8
167.96460	4.8
191.05598	19.3
507.24823	6.2
537.25476	100.0
538.26086	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68811	2.3
57.03464	3.6
59.01382	62.3
61.98820	3.3
62.11566	2.2
69.16023	13.6
71.01392	47.5
73.02945	10.1
83.01353	2.4
85.02957	9.8
87.00863	3.7
89.02458	55.5
96.96046	2.7
97.85419	2.1
100.77064	2.8
101.02446	28.0
111.00871	13.2
113.02460	9.7
119.03513	4.0
131.03514	26.4
134.47632	2.1
148.13887	3.0
149.04568	53.6
149.09758	4.9
156.07062	2.2
167.10779	7.0
181.26024	2.2
191.05627	14.0
207.13898	6.5
260.22263	2.4
293.08746	5.1
405.21060	3.1
450.18677	2.8
519.24335	4.8
537.25568	100.0
538.25885	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	597.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99767	0.6
53.43368	0.7
55.01879	1.0
57.03454	0.9
59.01125	1.0
59.01389	15.1
61.98844	7.5
65.22790	0.6
69.25473	3.9
70.84926	0.7
71.01388	13.3
72.99300	1.0
73.02953	6.0
75.00856	0.9
82.95470	0.8
83.01394	3.0
85.02956	5.2
87.00864	1.7
87.78835	0.7
89.02452	5.5
89.65916	0.7
95.01386	1.0
97.02947	0.8
98.21826	0.9
99.00886	2.8
99.04558	1.1
101.02438	9.8
111.00885	1.7
113.02451	4.3
115.04029	0.9
125.02431	1.6
129.01950	1.1
131.03485	1.0
134.03758	0.9
143.03499	0.9
149.04585	0.9
161.04588	1.1
175.03979	0.7
191.05670	1.6
193.05078	0.9
257.21277	1.7
285.20734	0.8
303.21744	3.0
419.26483	1.2
447.25729	0.8
465.26993	9.6
579.30219	1.5
597.31366	100.0
598.31787	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99767	0.6
53.43368	0.7
55.01879	1.0
57.03454	0.9
59.01125	1.0
59.01389	15.1
61.98844	7.5
65.22790	0.6
69.25473	3.9
70.84926	0.7
71.01388	13.3
72.99300	1.0
73.02953	6.0
75.00856	0.9
82.95470	0.8
83.01394	3.0
85.02956	5.2
87.00864	1.7
87.78835	0.7
89.02452	5.5
89.65916	0.7
95.01386	1.0
97.02947	0.8
98.21826	0.9
99.00886	2.8
99.04558	1.1
101.02438	9.8
111.00885	1.7
113.02451	4.3
115.04029	0.9
125.02431	1.6
129.01950	1.1
131.03485	1.0
134.03758	0.9
143.03499	0.9
149.04585	0.9
161.04588	1.1
175.03979	0.7
191.05670	1.6
193.05078	0.9
257.21277	1.7
285.20734	0.8
303.21744	3.0
419.26483	1.2
447.25729	0.8
465.26993	9.6
579.30219	1.5
597.31366	100.0
598.31787	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.3
61.98837	6.3
63.83327	0.4
69.93292	0.3
71.01389	2.4
72.99295	0.4
73.02945	1.0
75.00877	0.8
81.03461	11.2
82.06615	0.4
83.01402	0.6
83.05031	36.5
85.02959	1.0
87.00906	0.5
88.21446	0.4
88.98803	0.5
89.02442	1.7
92.97507	0.5
100.07681	5.2
101.02444	1.2
111.00914	0.4
113.02467	0.8
126.05628	0.9
127.04044	0.8
157.13512	0.4
160.01752	0.5
161.04480	0.4
165.05615	0.5
177.10110	0.4
193.05164	0.4
193.67696	0.4
199.18153	6.0
204.21825	0.3
207.15143	0.6
224.17786	0.8
225.16110	8.1
226.14404	0.4
239.09334	0.7
243.17142	18.5
269.15073	1.5
289.64417	0.4
309.21832	0.8
353.20795	6.7
433.31577	0.4
435.16464	0.6
451.32990	2.0
465.26926	0.6
469.34018	13.6
470.34039	0.4
495.32043	0.5
579.37537	2.7
597.30920	6.1
597.38794	100.0
598.39044	5.8
617.14722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98022	4.0
57.25628	2.4
59.01383	21.6
61.98835	58.9
65.03971	3.8
69.88282	5.8
69.88667	5.4
71.01356	6.5
73.04073	4.7
85.02952	4.5
87.72097	2.4
88.98808	4.8
89.02457	4.9
101.02438	6.2
108.02190	9.8
109.02964	3.1
110.99101	6.6
113.02408	4.6
119.77994	2.3
121.02942	7.4
123.00882	2.8
125.00666	10.3
129.10324	3.8
130.06236	5.5
137.97826	14.0
138.98628	2.6
139.99391	10.2
148.00455	4.0
153.00182	9.5
155.01753	5.9
169.09821	3.6
179.00473	3.7
180.01552	2.9
180.02972	12.7
180.99620	5.2
186.12512	5.4
186.61244	2.8
186.62939	2.4
187.08275	2.9
187.12846	2.9
195.05376	32.2
197.02827	3.0
209.02791	3.1
210.07739	4.1
215.31691	3.4
226.13948	2.8
243.14685	4.5
281.19574	3.2
286.98755	3.1
296.02136	5.3
301.00436	9.6
302.01346	18.0
316.02820	5.4
317.03619	13.8
328.04636	3.7
329.00082	5.7
330.00601	4.3
332.06171	3.4
333.03091	3.1
344.02429	26.2
345.03091	6.0
348.05441	17.3
359.04605	11.3
360.05563	19.7
361.02682	4.4
376.04980	81.7
377.05627	17.2
391.07330	60.5
391.11374	1.6
392.08118	74.1
397.22592	2.9
414.25494	5.9
418.06009	7.0
497.37070	2.7
522.10992	21.5
540.11829	5.2
554.04651	4.7
554.13373	100.0
555.13556	4.9
566.33466	2.9
567.33472	37.8
568.33813	21.9
598.12445	72.1
599.13123	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	598.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07755	0.5
53.77797	0.5
58.02981	7.3
59.01369	1.2
61.98825	2.4
62.88742	0.5
66.03486	1.1
69.31882	2.8
70.02975	1.2
71.01394	0.9
72.00905	1.3
72.22555	0.5
74.02482	16.6
79.71212	0.5
81.04582	1.1
82.02983	2.0
85.04082	0.6
86.02496	6.5
86.06136	1.1
86.99113	1.1
87.05642	2.7
90.00198	2.2
96.04575	0.6
97.04073	1.7
99.05646	13.9
100.00399	0.5
101.07233	2.6
102.05618	2.5
103.41282	0.5
107.06174	0.6
109.04071	2.4
109.07717	1.1
111.05644	0.7
112.04046	1.8
113.03625	0.6
116.01783	1.5
120.01260	1.1
123.05636	1.8
123.07334	0.5
123.56344	0.5
124.04023	1.0
125.03552	2.0
126.04319	0.6
127.05155	2.2
128.03549	38.1
129.99612	0.8
135.05649	5.3
137.07227	1.0
141.06721	3.5
143.04634	52.9
145.06210	2.0
146.04628	4.5
149.07204	0.9
153.06720	3.9
155.08264	0.9
160.00740	15.5
166.09872	2.1
166.81427	0.5
167.04622	4.3
167.08246	2.2
167.34467	0.5
170.03334	0.5
171.07782	1.1
177.03412	6.8
179.04616	12.5
179.06044	1.0
181.06203	1.6
184.11011	0.9
185.05666	1.6
192.07835	1.1
197.05725	2.0
198.08948	0.6
210.08855	10.9
213.03404	0.6
228.09982	0.7
242.07744	0.8
254.07819	19.3
258.18427	0.5
272.08899	31.8
273.09360	0.9
288.06607	10.2
291.19577	0.8
306.07666	100.0
307.07983	2.8
445.49680	0.6
598.28070	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	598.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22229	1.2
53.42389	1.6
58.02979	14.0
59.01379	2.8
61.98831	7.2
66.03476	1.6
66.12529	1.2
71.01377	1.5
72.00888	1.6
72.97520	2.2
74.00710	1.3
74.02478	21.9
76.85408	1.2
81.04598	2.6
82.02979	3.0
86.02495	11.4
86.06108	2.2
87.05633	4.0
88.04065	1.5
96.04558	1.5
97.04069	3.4
99.05648	21.6
100.00401	2.8
100.91212	1.4
101.07204	1.9
102.05603	4.5
108.08917	1.1
109.04092	4.3
109.07754	1.7
111.05666	1.5
112.04035	2.0
123.05646	2.1
125.03596	1.4
127.05132	3.9
128.03557	73.0
135.05652	8.7
137.07249	1.6
141.06706	4.1
143.04633	98.1
145.06146	3.9
146.04599	9.7
153.06694	3.9
165.12830	1.7
166.09804	2.7
167.04599	3.6
167.08221	3.8
168.00966	1.2
170.03406	3.0
171.04231	1.4
171.10222	4.2
179.04628	21.1
181.06175	1.5
185.05634	4.3
197.05702	3.7
200.11104	1.7
202.91811	1.3
209.11824	2.4
210.08861	21.6
228.09778	3.3
254.07840	52.7
256.11304	2.9
272.08893	100.0
273.09302	1.8
291.19641	2.1
304.06030	1.6
325.18365	5.8
342.20547	1.5
372.69412	1.6
469.23596	3.8
485.30688	1.3
580.26910	6.1
598.28101	36.2
599.27905	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	599.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99309	0.8
57.01702	0.8
59.01384	69.3
61.27398	0.9
61.98849	1.9
69.86363	2.9
71.01391	9.4
73.02950	2.7
75.00876	1.1
78.91892	12.8
80.91686	3.8
85.02951	1.9
87.00887	1.4
89.02455	6.1
93.03493	1.4
99.00861	1.5
101.02411	4.4
111.00867	1.4
113.02439	2.6
116.92890	6.0
119.03493	1.2
121.02962	2.9
122.03770	2.0
125.02497	1.2
131.03511	2.1
135.04561	1.4
135.08171	1.5
137.02379	1.1
149.02452	44.0
149.04413	1.6
149.09717	1.2
150.03276	14.2
151.11317	5.6
162.03307	1.1
164.04817	13.3
165.01938	5.7
165.05583	19.5
166.06367	2.7
167.07144	1.9
167.10817	1.4
179.03572	1.6
180.04329	4.1
181.05046	1.0
181.08698	1.3
191.05615	1.6
195.06615	17.7
195.08286	1.4
195.10333	1.1
201.11230	1.4
205.12439	1.9
211.09846	2.0
213.03896	1.5
213.11363	2.0
225.07695	2.5
273.04819	1.1
283.09851	1.0
314.11630	23.1
329.13959	100.0
330.14288	3.1
373.15088	1.0
377.16095	43.0
378.16299	1.5
437.20432	1.7
517.23065	6.5
539.20508	3.2
551.21613	3.5
599.25928	2.0
625.42145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57261	9.7
58.63180	10.1
59.01385	100.0
61.98827	93.7
62.39996	9.9
71.01376	46.1
77.24020	9.3
85.02961	20.4
87.04526	69.7
89.02464	11.7
101.02485	25.2
110.71253	8.5
113.02466	21.2
114.25051	9.6
125.02434	14.4
131.07915	9.5
171.10228	23.8
178.54172	9.2
195.05353	15.5
209.11876	17.8
335.22141	14.4
364.47043	10.4
376.05151	18.7
377.05307	38.3
392.07700	41.0
393.09122	66.2
408.12576	19.7
423.14551	69.4
451.21918	12.5
473.74304	13.6
523.11133	22.7
539.27020	32.1
555.13800	67.9
599.12488	33.9
599.33997	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	599.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.1
57.53114	7.0
59.01379	100.0
61.98833	88.4
68.34132	5.7
69.19373	40.7
70.56603	6.2
71.01382	31.9
73.02951	14.6
75.00863	13.2
85.02938	12.6
87.25015	6.8
89.02446	27.1
98.21934	10.0
101.02448	28.3
113.02454	15.7
113.73800	6.5
119.03513	15.1
121.02941	8.2
131.04822	5.8
148.20421	6.5
148.80066	7.6
150.03250	15.2
151.03934	6.0
165.05612	7.4
176.13820	7.5
272.22552	6.0
335.22281	15.9
403.14050	6.7
503.19162	25.4
599.30792	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	599.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	7.9
59.01386	100.0
61.98832	58.7
71.01389	21.4
73.02961	6.3
75.00871	18.5
85.02950	6.0
88.83231	4.9
88.98824	7.7
89.02446	10.3
98.21855	10.3
101.02436	22.8
111.00880	7.7
115.38793	5.0
121.02966	95.9
135.04535	6.6
143.03537	6.2
151.03970	6.4
175.03961	7.3
231.08665	6.0
252.07483	5.1
294.88431	6.0
335.22342	7.1
341.09970	6.7
344.12750	6.9
350.14514	5.4
359.14896	20.3
439.38855	5.3
442.22623	8.5
539.28955	15.1
600.29938	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	599.396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15631	2.0
57.03452	2.3
59.01384	2.2
63.13604	2.1
66.04379	1.9
83.05067	2.5
87.70052	2.3
87.84190	2.0
95.05020	4.7
97.06618	2.3
98.22673	5.5
105.68761	2.2
123.04574	3.0
123.08112	3.3
125.09743	9.2
135.08142	5.4
137.09727	3.1
138.22400	2.2
141.05626	4.7
153.09239	8.8
162.65260	2.1
163.11322	3.9
165.12878	19.9
168.88049	2.0
171.10321	12.7
173.80968	2.1
185.11888	6.0
191.14398	9.4
197.11798	2.6
203.01210	1.9
203.53108	1.9
207.10272	3.2
209.11844	6.6
225.11241	4.3
245.19147	23.4
247.20692	5.1
273.18576	4.4
289.18130	100.0
290.18356	2.7
291.19705	59.3
292.20120	2.8
307.19180	98.1
308.19620	2.2
325.20221	27.0
327.58240	2.1
351.17593	2.4
563.37518	4.2
581.38538	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	600.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55914	0.4
57.89330	0.4
59.01391	2.5
61.01825	0.5
61.98836	100.0
63.21354	0.4
64.80175	0.4
66.61229	0.4
71.01398	2.1
73.02953	0.8
85.02979	0.6
89.02461	2.3
90.02785	0.7
101.02484	0.8
103.02859	0.7
122.23346	0.5
131.03487	0.4
138.85599	0.4
149.04614	1.5
149.09766	0.6
150.04910	0.6
167.10829	0.7
168.11124	0.5
191.05696	0.4
299.30212	0.4
352.98489	0.4
465.39862	0.4
538.26056	0.7
540.26636	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	600.252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29932	0.2
59.01392	1.2
61.98837	100.0
66.91537	0.2
71.01412	0.5
71.41367	0.3
83.98735	0.2
85.02990	0.3
89.02457	0.3
100.83032	0.2
101.02473	0.3
114.05616	0.2
123.73467	0.2
125.02541	0.2
131.43350	0.2
133.00180	0.3
136.13516	0.2
249.34140	0.2
255.21571	0.2
322.19470	0.2
331.28546	0.2
582.14880	0.4
600.16205	1.3
600.24963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55604	4.2
59.01390	55.7
61.98839	100.0
71.01389	18.0
71.42766	6.0
75.00888	15.8
85.02953	4.8
89.02430	8.2
101.02441	10.1
111.00913	9.4
121.02972	48.0
138.06483	4.6
184.95761	5.6
187.22375	4.9
193.05054	4.5
255.03094	13.7
284.03250	12.3
285.04214	6.1
301.08099	4.9
489.10565	8.5
521.43433	4.6
600.30109	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	601.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81788	0.7
59.01378	1.7
61.98844	1.6
64.01954	0.9
65.00311	1.3
65.99863	2.1
73.61093	0.7
93.03487	0.9
94.03020	1.8
101.02454	0.9
111.00915	1.0
117.03553	0.9
118.03001	60.9
119.03405	0.7
121.01759	1.4
122.02482	10.5
123.00920	1.0
123.03274	23.2
124.04031	1.7
133.01791	1.0
135.00937	0.7
136.00423	5.7
141.03511	2.8
145.03017	2.2
147.04573	1.7
149.01216	4.6
150.02010	1.3
152.03491	1.1
155.81010	0.7
157.02982	1.6
163.99902	5.1
164.03569	1.4
168.03076	1.2
168.04588	1.9
169.03000	3.0
184.04277	0.9
185.02437	8.9
186.03258	2.9
187.04227	1.0
196.04024	4.5
197.02499	4.4
197.04854	1.2
198.03267	1.5
212.03485	5.9
213.01962	18.6
213.04112	1.3
214.02812	3.8
224.03566	2.4
225.04237	5.6
226.02808	0.8
226.04939	1.4
230.06139	0.7
239.02318	1.5
240.00699	1.4
240.03003	15.2
241.01468	33.3
241.03844	10.6
242.02194	1.7
242.04544	2.3
243.05359	16.0
247.06476	0.9
250.05209	1.5
254.04555	2.3
257.03659	1.1
258.05096	1.5
258.07706	19.1
260.07141	3.3
262.05081	1.2
269.03384	3.4
274.05048	1.2
276.06625	1.1
284.02060	3.2
284.05521	1.5
285.02750	2.0
286.05115	3.7
287.05963	2.0
288.06723	2.7
290.04526	2.0
291.05417	1.3
298.03638	1.2
299.04614	0.8
302.04950	1.2
304.06259	2.2
308.05936	0.7
314.04669	1.9
315.05396	3.3
316.05936	1.7
318.04019	1.7
319.05585	0.8
321.04062	2.0
330.04086	1.3
331.04968	1.6
332.05597	2.1
333.06436	2.6
342.03983	1.1
346.07175	1.1
347.04022	1.6
348.02490	0.9
348.08670	2.1
358.03516	1.1
359.04166	2.2
360.05231	3.5
361.03659	3.6
364.04626	3.4
374.06705	2.3
375.03708	1.6
377.05289	1.2
379.06894	1.9
392.07626	1.5
394.09311	1.2
403.03357	8.3
404.04120	15.8
418.05682	9.8
419.05652	0.9
484.06918	3.1
498.10760	2.7
513.12994	18.9
514.12610	2.2
525.09497	1.6
526.07758	1.2
542.09705	9.0
557.12030	100.0
558.12213	5.9
569.08344	17.6
570.08624	0.9
601.11023	33.4
602.11407	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	601.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49195	0.7
56.02973	0.6
56.59313	0.6
59.01382	9.7
61.98833	22.3
66.68922	0.6
67.01926	0.7
69.17606	1.1
69.18007	3.5
71.01379	3.8
79.95738	10.7
82.39934	0.6
82.95439	3.3
85.02952	1.1
87.00866	0.6
88.98862	1.0
89.02442	2.8
95.95234	1.3
96.96019	100.0
98.22680	1.2
101.02439	2.6
107.32900	0.7
109.03004	1.1
110.97596	4.5
111.00896	9.3
113.02466	1.1
116.65401	0.6
116.92883	2.0
121.03000	1.2
134.03697	0.7
136.01691	0.9
137.02420	1.7
149.02348	1.0
150.03204	1.4
151.04039	1.8
152.62445	0.6
161.06061	0.7
163.04097	0.8
165.01915	4.0
179.03604	1.0
179.05450	0.6
180.04272	2.0
189.05576	0.9
193.05084	1.2
195.06665	2.6
225.07745	1.4
233.08243	0.9
260.03421	1.0
311.09317	3.5
312.09988	1.1
313.10965	0.9
315.12338	1.6
326.11566	3.0
327.12338	3.9
329.10449	0.8
341.13977	1.5
355.11606	0.9
407.08154	1.4
409.09738	0.9
421.09714	2.8
439.10278	0.9
535.19818	4.3
565.19348	5.4
583.22327	1.3
601.16010	72.7
602.16339	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	601.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49195	0.7
56.02973	0.6
56.59313	0.6
59.01382	9.7
61.98833	22.3
66.68922	0.6
67.01926	0.7
69.17606	1.1
69.18007	3.5
71.01379	3.8
79.95738	10.7
82.39934	0.6
82.95439	3.3
85.02952	1.1
87.00866	0.6
88.98862	1.0
89.02442	2.8
95.95234	1.3
96.96019	100.0
98.22680	1.2
101.02439	2.6
107.32900	0.7
109.03004	1.1
110.97596	4.5
111.00896	9.3
113.02466	1.1
116.65401	0.6
116.92883	2.0
121.03000	1.2
134.03697	0.7
136.01691	0.9
137.02420	1.7
149.02348	1.0
150.03204	1.4
151.04039	1.8
152.62445	0.6
161.06061	0.7
163.04097	0.8
165.01915	4.0
179.03604	1.0
179.05450	0.6
180.04272	2.0
189.05576	0.9
193.05084	1.2
195.06665	2.6
225.07745	1.4
233.08243	0.9
260.03421	1.0
311.09317	3.5
312.09988	1.1
313.10965	0.9
315.12338	1.6
326.11566	3.0
327.12338	3.9
329.10449	0.8
341.13977	1.5
355.11606	0.9
407.08154	1.4
409.09738	0.9
421.09714	2.8
439.10278	0.9
535.19818	4.3
565.19348	5.4
583.22327	1.3
601.16010	72.7
602.16339	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	601.324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27563	0.6
57.03457	0.6
59.01384	79.5
60.01719	1.1
61.98836	25.2
66.13079	0.6
67.01874	1.1
71.01385	10.1
73.02953	8.2
78.74031	0.6
78.91850	0.6
79.95729	7.1
82.95435	1.0
83.01398	2.6
84.95142	1.8
85.02950	3.3
87.00897	1.4
89.02460	8.3
94.98083	2.3
95.01386	1.1
96.20848	0.6
96.96019	100.0
97.02940	0.9
101.02457	11.5
111.00900	11.9
113.02465	5.9
119.03490	4.1
121.02981	2.3
123.04618	0.6
125.02461	0.9
127.05582	0.7
131.03534	1.1
137.02446	2.0
143.03523	1.8
149.02475	0.8
149.04567	3.1
150.03247	1.7
151.04024	1.2
161.04581	4.4
165.01939	0.8
165.05592	2.1
175.04063	0.7
179.03510	0.6
179.05605	3.3
191.05661	0.6
193.05150	1.0
195.06694	1.9
221.06653	1.3
253.10846	1.3
255.83221	0.7
337.24332	0.6
478.85464	0.7
481.28137	2.8
499.29269	7.1
541.30609	8.0
565.28461	2.6
601.15985	41.6
601.25085	1.7
602.16473	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	602.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98832	5.8
62.54257	0.5
70.54126	0.5
70.98833	0.7
71.01383	0.7
73.13639	0.4
83.99148	0.4
87.30082	0.5
88.98830	0.4
89.02486	0.8
92.77930	0.5
95.54231	0.5
114.17439	0.5
134.03720	0.5
137.37430	0.5
193.05150	0.6
258.98746	0.4
259.22644	0.5
268.09955	0.4
352.62720	0.5
358.20367	0.6
420.20413	2.6
432.20508	1.3
446.21857	0.6
474.21326	9.4
474.28079	0.7
492.22327	2.4
542.26477	0.7
602.28442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2979
Annotation	Hokbusine A
Peak:m/z	Relative Intensity
51.96859	0.7
59.01384	65.2
61.23304	0.9
61.53204	0.9
61.98836	20.4
65.07111	1.0
70.25591	1.8
71.01399	1.7
73.02984	0.8
75.00881	0.9
82.95374	0.8
83.05065	1.9
85.02958	1.4
88.98826	0.9
92.77845	1.0
93.03489	1.1
96.96009	1.5
98.06121	0.8
101.02460	1.1
111.00900	1.5
113.96843	0.8
119.03484	1.0
121.02969	100.0
122.03344	1.2
134.03778	1.5
142.58403	0.9
147.15460	0.8
151.00314	0.9
157.56744	0.8
160.04053	1.0
174.76331	0.9
183.48436	1.1
194.56702	0.8
212.23138	1.0
249.10002	0.9
301.03528	1.8
322.14499	1.2
370.20251	1.1
384.21689	1.3
388.21387	3.0
389.02365	1.0
430.20303	1.0
448.20221	0.8
474.22971	2.0
478.25931	1.3
480.23706	5.6
492.24222	1.7
504.23999	4.2
506.25409	5.0
522.24701	2.6
524.26556	51.5
525.27026	3.1
542.27649	49.8
543.27924	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02108	1.7
59.01382	2.2
60.99317	3.4
84.22528	1.8
87.00882	2.5
88.00420	2.1
88.98817	13.6
89.02454	100.0
93.80434	1.6
98.22718	3.4
103.92035	5.0
125.09681	2.7
126.36049	1.7
135.08188	1.9
147.08151	1.9
148.90976	3.7
174.77132	1.8
179.10770	3.5
185.11830	2.4
197.11852	10.0
238.33948	2.2
245.74854	1.6
249.93323	2.3
277.21927	2.4
282.05896	1.8
287.16705	2.0
305.17648	4.5
323.97101	2.4
416.96573	1.7
603.20068	5.6
603.31812	5.3
604.19720	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	604.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.4
59.95946	1.9
61.98835	6.6
69.45461	7.3
71.01382	4.7
73.02969	2.2
85.02967	2.5
88.98820	4.3
89.02448	5.0
98.22589	2.3
101.02444	3.5
101.04006	2.1
106.94108	1.6
111.00868	2.7
112.98820	1.6
119.03561	1.9
121.03035	2.1
136.04039	2.4
145.03026	2.5
148.00420	16.1
149.01204	2.2
152.03572	3.3
157.02966	8.9
160.01767	2.6
161.02359	2.3
163.04005	3.2
165.00706	3.0
166.01491	3.0
172.04001	2.4
173.02435	2.6
175.04015	5.5
180.03056	11.1
181.03795	9.6
191.05678	2.0
195.05382	8.2
196.06281	1.9
200.03543	78.2
201.01976	6.1
201.03818	1.6
219.56664	2.0
251.05795	2.0
278.04739	4.5
279.02780	3.3
279.05457	4.4
280.03647	5.9
291.05527	1.9
293.04544	1.9
306.01508	3.3
306.04504	2.7
307.04855	7.2
308.03079	3.9
315.07733	1.6
321.03976	2.5
322.04114	5.6
323.05444	2.0
342.92444	1.9
350.03015	5.6
351.03842	24.9
352.04660	20.0
365.05411	10.3
366.06213	100.0
367.06482	3.6
382.05664	4.3
397.08090	7.1
398.08817	38.4
399.08789	2.4
528.11511	14.2
531.80408	1.9
560.14185	82.9
561.14606	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	604.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68239	2.1
50.71926	2.1
59.01377	11.8
61.98835	2.8
69.59341	6.4
71.01364	5.6
73.02981	2.4
89.02401	2.3
93.03460	2.7
94.93330	2.5
96.96025	4.2
98.21771	2.2
101.02469	5.3
119.05019	3.8
121.02991	2.8
122.83432	2.4
132.02196	3.2
134.03740	7.6
135.04503	3.0
160.01665	20.9
160.03993	2.7
161.04553	2.5
163.04001	4.5
175.04013	48.9
180.37181	2.6
193.05057	10.6
201.18849	2.6
216.67166	2.4
245.65689	2.5
252.27339	2.6
371.01675	2.5
375.43509	2.5
399.13000	100.0
455.14178	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	605.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02459	0.3
59.01392	1.7
62.87933	0.3
69.34757	0.8
69.35172	0.5
71.01387	0.8
74.85538	0.3
80.77200	0.3
82.91805	0.3
89.02428	0.3
93.03497	0.5
101.02457	0.4
103.01502	0.4
107.01423	0.7
111.00928	0.3
116.09336	0.3
117.03482	0.6
120.66786	0.4
143.73691	0.3
151.00374	1.8
152.03522	0.4
155.05101	0.3
159.04573	0.4
169.02930	0.3
169.06602	0.6
173.02469	0.5
182.03709	0.4
183.04524	3.2
185.02524	0.4
185.06044	0.5
187.04050	0.6
196.13931	0.3
211.04005	2.5
213.05632	0.4
215.03487	0.4
227.03554	2.9
255.03014	38.5
256.03412	1.5
282.01926	0.3
283.02502	100.0
284.03015	4.7
285.04071	12.9
286.04486	0.4
327.04892	0.4
341.06454	0.3
384.13077	0.4
400.78952	0.3
430.09085	37.1
431.09738	7.5
432.10129	0.4
459.09366	7.3
460.09622	0.6
540.52124	0.4
545.13116	0.8
605.15173	52.9
606.15521	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	605.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
63.02400	0.7
65.00337	0.6
69.08492	2.4
83.01398	0.5
88.98798	1.1
89.02404	0.4
93.03471	1.0
107.01385	0.7
117.03499	1.0
132.27716	0.3
143.05055	0.5
151.00421	1.8
154.04271	1.0
155.05034	0.8
159.04543	1.4
163.00317	0.5
167.05037	0.8
169.06592	1.9
171.04553	0.7
173.02455	0.8
173.06100	0.4
182.03760	0.3
183.04527	3.6
185.02472	0.3
185.06111	1.6
187.04004	1.0
189.05632	1.3
198.03206	0.4
199.04042	0.9
211.03995	3.4
213.05513	3.0
214.02679	0.5
215.03534	1.2
227.03497	5.0
229.05020	1.2
239.03464	0.7
240.04413	0.3
241.05078	0.7
243.02989	0.8
255.03001	48.1
256.01077	0.3
256.03491	1.9
257.04581	2.8
283.02496	100.0
284.03006	6.7
285.04065	86.2
286.04425	2.5
309.04065	0.4
310.21701	0.4
319.30936	0.4
353.66815	0.4
382.67654	0.4
430.09088	25.2
431.09854	69.1
432.10233	3.2
459.09387	2.4
605.15186	31.4
606.15875	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	17.2
59.01379	47.8
61.98834	19.6
69.43419	39.0
70.23113	9.1
71.01382	28.0
76.55519	8.9
80.49368	14.3
84.16361	9.4
85.02962	19.5
87.00878	51.6
88.53026	12.3
89.02467	26.9
93.03468	10.2
101.02437	22.4
108.02200	16.3
111.00887	99.8
113.02383	10.8
119.05033	32.9
131.05035	31.5
134.02608	12.1
134.03735	34.1
138.05629	12.9
141.40753	10.2
145.02992	25.3
149.06082	84.7
163.04015	34.7
166.05096	45.3
175.04018	20.5
178.84804	10.2
193.05058	19.2
237.04073	100.0
253.04649	11.9
271.05887	11.7
274.26489	10.5
443.16034	25.8
605.23511	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	605.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64173	6.3
57.03453	6.7
59.01384	85.7
61.98824	24.3
65.01707	6.4
71.01385	42.2
73.02956	15.9
74.54789	5.6
74.59266	6.9
75.00873	7.2
78.95897	6.2
80.96504	9.9
85.02944	16.5
89.02444	50.7
95.99841	7.1
99.00868	11.0
101.02458	28.0
105.01942	43.5
107.11189	6.2
113.02439	15.5
115.03172	6.5
116.92882	7.4
125.02425	6.7
131.03540	9.5
131.38751	6.6
141.17641	7.3
141.32962	6.0
145.43466	7.4
149.04553	33.0
180.18649	5.9
183.51337	7.4
229.28027	8.1
455.75430	7.5
552.57245	7.0
561.32819	10.1
569.29749	100.0
605.26514	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	52.1
61.98812	3.0
70.87775	2.7
71.01383	30.7
73.87786	1.8
75.00840	1.6
83.01405	2.2
85.02960	5.8
86.53896	1.5
89.02454	25.6
101.02448	16.6
113.02469	10.5
119.03518	10.0
134.03752	20.8
135.04535	69.1
143.03447	2.3
151.04060	2.2
179.05652	3.3
190.97894	1.9
191.65390	1.7
291.19739	6.4
315.10883	49.8
383.33856	1.8
425.23050	3.1
605.29724	100.0
606.30011	5.3
626.07452	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	605.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29726	1.1
78.95900	2.8
81.04803	1.0
87.86572	1.3
93.03474	3.4
95.05041	1.2
96.96906	1.1
98.22633	2.7
113.53570	1.3
117.11150	1.1
145.48944	1.2
147.60043	1.3
148.08942	2.2
150.10498	2.2
165.12849	24.9
171.10226	2.3
176.12076	1.2
244.10829	6.4
247.20706	13.6
273.18546	6.8
291.19696	100.0
292.20029	3.8
313.17899	23.7
605.38409	32.7
606.38806	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	606.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	18.5
60.69752	1.0
61.98833	100.0
71.01390	7.4
76.39051	1.1
76.70409	1.1
78.59295	1.1
80.33530	1.2
89.02448	6.8
94.38077	1.1
95.12969	1.2
101.02435	5.8
113.02474	1.9
119.03506	2.6
131.29004	1.1
134.03752	4.5
135.04547	12.2
136.04823	1.8
143.32930	1.1
149.40303	1.1
175.07788	1.2
179.05650	1.2
184.09282	1.0
224.40829	1.3
237.25768	1.3
255.02745	2.5
284.03085	2.0
315.10901	20.2
316.11127	4.6
543.11060	2.6
605.29358	7.9
606.29828	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	606.22
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88463	0.5
59.01383	100.0
59.28972	0.6
61.98832	4.1
69.44501	2.6
71.01387	18.6
73.02969	1.3
78.63900	0.5
80.91705	1.5
82.95421	3.7
83.01408	1.3
85.02947	4.5
87.00869	0.8
89.02452	22.2
95.01399	1.0
99.00858	0.6
101.02449	10.2
113.02451	7.5
119.03504	9.3
123.91902	0.6
131.03525	0.9
133.81679	0.5
135.62653	0.6
143.03529	1.5
159.03084	0.6
161.04594	2.0
179.05693	1.1
204.04251	0.6
336.08789	1.5
366.13531	1.1
384.10849	0.7
546.32141	1.1
606.39679	1.0
607.30048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58011	0.4
59.01384	51.0
61.98829	2.5
69.12328	0.8
69.12729	1.7
71.01390	1.0
73.02963	0.4
83.79787	0.3
89.02477	0.7
98.21900	0.9
101.02436	0.8
111.00880	0.4
111.76352	0.4
121.02998	1.5
152.13106	0.3
193.05031	0.5
255.03113	0.5
256.03543	0.5
283.02441	0.6
284.02921	0.8
294.05344	0.4
296.05844	0.9
311.07968	1.2
324.05148	17.7
325.05823	0.6
326.10516	0.7
327.19556	0.4
338.06686	0.5
339.07477	23.5
340.07730	0.9
354.09842	48.5
355.10306	2.2
369.12170	25.3
370.12463	1.0
384.14548	100.0
385.14832	3.8
434.91055	0.4
570.32135	0.4
606.15582	0.5
606.25677	0.4
606.38837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.1
61.98819	2.8
69.14867	4.0
69.15266	3.2
70.02955	1.3
71.01382	2.4
72.04548	3.9
82.02991	71.9
85.02951	2.1
87.00887	1.6
88.98826	2.4
89.02448	3.4
91.05550	6.2
95.54936	1.1
98.02499	5.7
100.04049	46.1
101.02467	2.5
113.02471	1.1
119.03519	1.3
145.30333	1.0
174.11308	1.2
185.22090	1.1
190.83385	1.0
202.08769	15.2
216.42139	1.0
247.82864	1.1
248.09291	100.0
249.09602	2.9
264.02185	1.1
316.78906	1.6
444.16211	1.5
445.08609	1.2
560.91638	1.1
606.31268	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	606.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.8
59.09927	0.3
61.98835	100.0
67.21906	0.3
70.74157	0.6
71.01394	0.7
75.00858	0.3
80.96524	0.7
89.02499	0.3
92.31454	0.2
96.96014	0.3
105.41359	0.3
113.02566	0.3
148.45695	0.3
263.37009	0.3
274.19614	0.3
320.80392	0.4
332.31882	0.3
383.87067	0.3
606.32526	0.4
607.24615	1.1
610.57294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60535	3.0
56.92524	3.1
59.01384	14.3
61.98838	100.0
71.01395	14.9
73.02938	4.0
80.61491	3.8
81.99944	3.2
85.02953	8.3
101.02484	4.0
113.02450	6.6
120.53590	3.6
143.03468	4.7
177.62521	3.7
245.21992	3.6
369.47888	3.7
462.32916	9.5
606.28674	8.8
606.37408	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	607.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
71.01389	9.8
73.02953	6.0
74.67036	3.6
87.00894	36.3
89.02473	5.2
93.77308	3.5
99.00894	9.5
101.02457	9.5
103.00389	51.5
111.00888	3.8
113.02424	3.9
119.05029	5.0
121.02975	65.1
130.99890	44.2
131.03625	3.2
135.02995	7.8
179.05620	4.9
191.05658	4.3
253.03563	73.8
461.21875	3.7
607.19196	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	607.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32464	0.9
57.03442	1.3
58.02974	2.3
58.33680	1.1
59.01121	1.6
59.01388	23.6
61.17032	1.0
61.88946	1.1
69.03451	1.1
71.01382	13.4
71.44900	1.3
72.99287	1.2
73.02943	2.9
80.12300	1.1
80.79192	1.0
83.01384	1.5
85.02959	4.7
87.00891	4.8
89.02450	10.7
91.61466	1.0
92.05070	3.3
93.03446	3.6
95.01418	1.1
96.96008	1.3
97.02957	3.2
99.00886	2.0
101.02454	8.9
101.08339	1.0
109.02969	2.7
111.00887	3.6
113.02474	5.7
116.05070	2.6
117.03492	7.1
118.06653	9.9
119.03522	3.5
119.05039	4.9
121.02938	1.5
121.40863	0.9
123.04525	3.9
125.02471	2.5
128.05069	17.7
131.03780	17.5
134.03766	5.6
135.04517	1.9
136.05362	5.2
137.02429	5.6
143.03575	1.9
143.07130	1.7
144.04559	100.0
145.02969	27.7
145.26373	1.0
146.06131	60.5
147.06453	1.5
149.04619	1.6
149.06102	2.9
150.03236	4.0
151.00333	1.3
151.04025	13.0
161.04515	2.4
163.04068	5.4
172.04065	7.3
175.03958	1.1
178.02736	3.6
179.05614	2.5
180.04286	7.0
188.07205	1.4
188.12077	1.2
190.05109	83.5
191.05539	1.7
193.05066	6.5
209.11842	26.7
235.08232	1.6
249.08809	70.5
250.09189	1.3
271.02487	13.7
281.06741	2.4
292.98090	1.0
299.01978	27.9
300.02625	2.6
301.03412	1.8
313.09393	1.3
368.16153	1.1
397.13623	9.0
415.14557	4.5
432.07050	10.7
445.15027	23.3
475.12589	15.1
491.75916	1.1
504.15131	4.5
510.44406	1.1
563.18726	13.2
606.31512	2.0
607.13214	7.6
607.21167	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	607.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15466	13.8
59.01377	30.1
69.07758	100.0
85.08922	13.9
88.98845	21.2
89.02449	16.5
96.35471	13.3
96.96021	16.7
98.22607	35.0
101.02432	27.4
101.09486	12.2
111.00909	21.2
119.05059	14.6
125.38138	12.7
134.02412	13.8
135.03044	17.3
137.04430	14.4
149.02454	15.2
149.72348	13.0
151.04056	14.2
157.50636	14.4
166.05124	90.5
167.05470	32.7
192.05774	14.6
239.03738	17.8
265.06802	16.0
509.58151	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	607.2436
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01380	7.5
60.85806	1.3
61.98836	54.4
62.46393	1.2
69.18327	3.2
69.18728	7.0
71.01391	8.8
73.02933	1.8
75.15447	1.3
78.95934	2.0
78.98577	5.1
79.22186	1.4
79.95746	9.7
80.96526	63.8
83.22620	1.3
85.02926	4.1
87.00887	2.5
89.02432	2.3
94.98097	12.9
97.02968	3.0
101.02449	4.0
106.98106	3.2
113.02518	2.6
113.20036	1.3
116.92801	1.5
118.51466	1.4
122.97537	2.1
125.02486	2.2
126.54795	1.2
127.04035	1.4
133.08885	1.2
134.97585	4.6
136.99104	1.4
148.99139	5.6
152.98625	5.7
164.98648	11.5
175.03970	1.6
189.86847	1.3
206.99649	3.2
225.00754	16.3
287.75220	1.5
607.24298	100.0
608.24817	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	607.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
59.01385	100.0
61.98839	36.1
63.16405	3.1
63.25927	3.5
69.35176	8.1
69.35590	7.4
71.01397	32.1
73.02950	10.0
75.00879	3.9
83.01410	8.3
85.02941	15.5
85.41012	2.8
87.00888	4.4
87.04549	3.3
88.64052	2.8
88.98817	7.9
89.02466	10.6
93.03452	3.0
97.02926	3.6
98.57997	2.9
99.90799	3.1
101.02454	15.8
111.00880	5.7
113.01403	2.9
113.02453	12.0
123.08204	6.0
125.02492	5.1
134.03716	3.0
191.05630	2.8
191.31335	3.8
193.05045	3.6
195.13210	2.9
245.53702	3.4
313.67853	3.4
347.20670	3.4
353.04166	3.0
357.98566	3.7
359.28012	7.1
362.02039	3.6
503.32297	72.7
504.32559	8.3
520.68945	3.3
521.33392	21.6
547.31421	3.9
563.34943	6.5
590.72754	3.4
607.33228	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	607.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20934	1.6
54.34079	1.6
55.00856	2.1
57.03447	2.8
59.01384	81.7
61.98822	8.1
69.15273	4.4
69.15681	7.1
71.01390	12.6
73.02929	5.1
77.74550	1.7
83.01410	3.9
85.02950	11.4
89.02441	2.4
89.32812	2.2
97.02958	3.1
99.16539	1.8
101.02452	10.5
113.02456	10.3
127.11254	2.9
155.10767	4.3
159.60312	2.1
201.14911	7.3
230.15279	3.3
359.28076	14.0
399.38348	2.1
455.30737	2.6
503.32272	100.0
504.32742	6.8
521.33374	32.0
522.33612	3.3
563.34161	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	607.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	9.3
70.82548	3.6
71.01408	2.6
71.05022	3.7
78.95923	3.7
80.58114	2.7
88.98784	3.5
99.00897	4.6
123.08186	4.8
125.09750	5.6
141.32323	2.7
151.11314	7.9
152.89470	2.9
152.95462	2.7
153.12910	2.9
155.08453	3.0
161.09723	6.8
163.11327	6.6
165.12872	6.0
179.10788	33.5
181.12428	5.2
187.69740	2.7
197.11836	100.0
201.81802	3.1
222.66724	2.8
223.09828	5.0
223.13338	4.4
241.10901	12.1
247.20703	6.6
291.19705	35.7
297.13461	5.3
309.20734	31.6
315.14429	18.9
353.35522	3.1
363.38019	3.1
368.64584	3.3
393.18561	3.4
607.34949	86.6
608.35791	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23520	1.6
61.98831	2.1
69.80700	4.9
69.81045	1.7
70.49385	1.4
71.01371	2.1
77.61756	1.5
80.02696	1.8
81.03434	2.8
83.05029	5.5
95.05042	1.8
97.06612	2.5
107.05034	6.6
109.06614	3.6
110.03765	1.7
125.06119	5.6
125.09740	10.6
127.07725	1.8
135.08138	4.0
152.80898	1.8
153.09212	7.4
163.11360	9.8
165.12865	3.9
171.10295	21.3
181.12402	4.5
185.11833	2.9
191.10809	2.9
197.11922	9.6
207.10272	7.7
209.11844	100.0
210.12314	2.8
225.11377	4.7
227.12886	13.5
251.12927	3.2
287.16522	6.8
305.17636	37.8
307.19141	3.8
323.18613	5.4
361.20267	5.6
379.21368	4.9
571.32733	7.6
589.33813	14.2
607.27612	2.0
607.34924	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	608.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01125	0.7
59.01390	9.1
61.34166	0.5
61.98813	0.6
69.03449	1.0
69.48491	2.1
71.01395	7.4
73.02960	1.0
75.00874	0.6
81.03469	0.8
82.03004	3.4
83.01405	1.2
85.02953	3.2
87.00887	1.5
88.98814	2.0
89.02450	4.2
95.01414	0.9
97.02962	1.4
99.00882	0.8
100.04065	1.9
101.02466	5.0
107.01352	0.5
111.00907	0.6
111.29244	0.4
113.02452	3.5
114.01952	0.5
119.03486	2.4
121.02975	100.0
125.02464	5.2
134.03770	1.1
143.03528	3.4
151.00371	1.2
161.04636	2.2
164.07162	1.0
165.07985	7.0
180.10304	6.7
206.08209	1.8
215.03568	0.5
227.03575	1.1
243.03009	1.3
245.06706	2.4
248.09219	2.2
249.09662	1.0
250.09767	0.9
254.02237	0.5
255.02966	1.4
261.14664	0.5
263.07837	1.0
271.02490	13.4
271.05283	0.8
276.04724	0.5
283.02490	0.8
299.01993	26.9
300.02722	2.2
301.03552	9.8
301.06689	0.7
305.08740	1.4
372.62152	0.5
446.08636	7.2
447.09314	6.6
463.08737	2.8
608.32849	0.6
609.14484	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	608.293
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.72292	0.3
70.72633	0.2
76.38995	0.2
79.95736	0.4
80.96537	0.8
103.50940	0.2
109.34758	0.2
443.11551	0.2
510.78387	0.2
562.55872	0.2
609.25745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98835	100.0
69.61669	0.8
71.01393	0.8
76.29298	0.2
78.98602	0.6
79.95737	1.2
80.96520	6.4
85.02985	0.3
86.67929	0.2
87.00911	0.3
94.98122	1.4
100.05276	0.2
106.98112	0.4
121.69337	0.2
134.97607	0.5
148.99214	0.4
152.98665	0.3
164.98596	1.1
206.99709	0.4
208.16980	0.2
225.00783	1.4
284.37729	0.2
352.77829	0.2
609.25897	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48194	0.7
58.60773	0.8
59.01382	7.7
59.11612	0.8
60.99295	1.4
61.98838	0.9
63.02386	1.0
69.09000	1.3
69.09400	4.6
71.01390	4.6
72.99320	1.9
73.02952	1.2
83.01357	0.9
85.02956	1.3
87.00906	1.1
87.51878	0.9
88.98820	13.2
89.02457	3.8
93.03458	1.0
95.01351	0.8
97.06587	1.3
99.00899	0.9
101.02448	3.8
107.01380	2.1
111.00899	1.1
113.02415	2.1
121.02908	0.8
125.02398	1.2
125.06074	3.9
126.06390	1.6
132.02176	1.0
143.07152	12.8
144.07489	2.2
145.03029	0.9
149.04564	1.1
151.00430	4.7
160.03976	1.0
161.04607	1.1
163.00398	1.2
175.04047	1.0
179.10823	0.9
187.04031	1.7
193.05104	1.7
211.03999	2.8
213.05663	1.7
227.03511	35.8
228.03957	0.9
229.05171	5.5
229.07076	1.1
255.03006	60.6
256.03793	5.3
257.04581	3.8
283.02512	1.8
284.03293	82.8
285.04037	46.6
286.04535	0.9
313.03461	4.5
327.05222	1.8
387.19986	1.2
429.17499	2.4
447.09076	1.4
549.25427	3.2
609.14630	100.0
609.23242	3.9
610.14899	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	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17623	0.5
51.82640	0.5
53.09101	0.7
59.01387	7.0
60.99324	1.2
65.00372	0.6
69.38004	3.1
71.01405	4.1
72.75943	0.6
73.02963	0.6
75.00882	4.2
79.94601	0.6
83.01439	0.6
85.02975	0.9
85.97433	0.5
87.00877	1.0
87.44883	0.6
88.98811	6.6
89.02478	2.5
97.34406	0.6
98.21931	1.4
99.00907	0.6
101.02476	1.6
107.01440	1.2
109.02968	0.9
113.02492	1.6
114.01986	1.2
114.05587	0.7
115.00400	0.9
119.03524	1.2
121.02965	22.5
122.03294	5.1
125.02541	1.7
134.03802	1.9
143.03539	2.0
149.06108	2.1
151.00386	5.8
161.04562	1.5
163.00456	1.1
165.02003	1.4
165.07964	1.1
166.38797	0.7
171.04451	0.8
175.04036	1.0
177.04373	1.2
178.99950	0.9
180.10382	0.9
180.99701	0.6
187.04121	0.8
193.05099	0.8
199.04082	2.6
201.01990	1.5
211.04018	0.7
215.03575	1.8
226.02675	0.8
227.03564	3.1
229.05219	1.3
243.02989	4.1
255.03008	5.7
271.02512	55.8
272.02805	1.6
283.02481	1.5
299.01996	100.0
300.02658	9.0
301.03540	36.3
404.81808	0.8
410.09302	0.8
446.08585	29.6
447.09338	30.1
448.09784	1.9
463.08951	10.9
549.25635	1.9
609.14520	80.6
610.14880	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	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99762	0.7
57.03440	1.1
59.01385	5.0
59.54307	0.7
59.98470	0.7
64.30505	0.8
64.94299	0.7
65.00320	1.6
71.01405	3.3
73.02953	0.8
73.17962	0.6
80.71532	0.7
83.01398	1.3
85.02937	1.0
87.00844	0.8
88.98811	2.3
89.02467	1.9
93.03424	0.9
101.02476	2.2
107.01421	3.7
109.02950	1.4
113.02462	0.9
114.07841	0.7
119.03481	0.8
119.26360	0.8
119.40511	0.6
121.03010	3.6
124.01585	1.0
125.02377	0.9
126.73412	0.6
127.63206	0.6
134.03741	3.1
135.00954	1.0
135.03008	0.9
148.01691	1.4
149.06171	1.1
151.00395	9.8
151.04070	3.6
160.01555	0.6
161.02365	0.7
161.04591	0.9
163.00378	2.9
163.04016	0.9
175.03932	0.8
178.02713	1.3
178.99870	6.0
187.03963	1.0
188.51491	0.7
193.05080	5.7
199.03827	1.0
211.04076	1.5
226.02742	0.9
227.03560	6.9
229.05019	3.1
243.02985	8.8
244.03824	1.1
245.04527	1.4
254.02167	2.4
255.03001	30.0
256.03641	1.1
257.04620	1.6
263.51328	0.7
271.02493	51.9
272.02930	3.8
273.04065	1.1
283.02563	1.7
284.03265	8.2
285.04071	19.2
286.04422	1.0
300.02774	80.1
301.03519	32.7
343.04526	1.0
574.53882	0.8
609.14630	100.0
610.14954	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20322	0.6
59.01385	6.7
64.16196	0.6
65.00344	0.7
69.82661	1.5
69.83023	1.3
71.01404	2.9
73.02963	1.0
75.00875	1.3
83.01427	1.1
85.02953	0.8
89.02467	4.2
93.03490	1.1
98.22568	1.2
101.02477	2.1
107.01411	1.3
111.00883	1.0
113.01282	0.7
113.02475	0.9
117.03490	1.0
119.03535	1.1
121.02950	0.9
133.02988	0.9
134.03746	1.3
135.03069	3.8
135.04579	1.7
149.02475	0.9
149.06140	1.1
151.00386	2.7
151.04059	1.0
159.04570	1.3
161.04662	1.0
172.61958	0.7
175.04005	0.8
177.01991	1.2
179.03609	1.7
179.05545	0.9
183.04536	4.3
187.03935	0.8
199.26582	0.8
203.87805	0.7
209.08221	1.1
211.04042	2.6
214.02657	0.8
227.03522	12.6
229.05022	0.9
239.03511	0.9
241.05162	0.9
255.03006	56.9
256.03604	2.6
256.22751	0.7
267.02997	0.8
279.05005	0.7
283.02512	100.0
284.03278	26.7
285.04074	54.8
286.04507	1.0
295.71600	0.7
297.03772	1.6
298.04968	1.1
301.03345	0.7
313.03436	1.3
326.04190	1.0
327.05154	2.3
373.14972	2.4
446.08597	18.8
447.09354	97.6
448.09619	4.4
489.10413	8.3
513.10413	0.8
519.19879	0.9
549.25500	1.8
609.14594	33.9
609.22968	1.3
610.15363	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29123	0.5
59.01378	4.2
63.02417	0.8
69.48560	2.3
71.01066	0.5
71.01376	3.2
73.02953	0.7
79.85671	0.5
83.01412	0.6
84.05299	0.5
85.02972	0.5
88.98810	0.7
89.02470	1.9
93.03478	1.4
101.02451	1.9
107.01414	1.1
108.01366	0.5
113.02416	1.0
117.03498	1.2
119.03534	0.9
134.06117	1.8
151.00380	2.3
159.04530	0.9
161.04530	0.7
162.05681	0.9
169.06671	1.1
175.04092	0.6
179.05597	0.8
183.04547	3.8
185.06088	1.2
192.06711	3.3
199.04039	0.7
204.06754	1.0
211.04004	2.6
213.05663	1.0
227.03514	7.7
239.03424	0.8
243.03098	1.2
255.02995	58.5
256.03516	2.5
257.04550	0.9
267.12469	0.7
269.04556	0.9
283.02484	100.0
284.03189	12.9
285.04047	84.7
286.04361	2.4
297.04111	1.1
298.04669	0.9
327.05063	3.9
446.08517	18.3
447.09326	66.5
448.09863	2.8
489.10324	5.0
519.19806	7.9
531.19714	1.5
549.25732	3.4
593.51453	0.6
601.63867	0.6
609.14575	44.4
610.15070	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01389	18.5
60.99313	15.9
61.98831	2.3
62.48547	1.3
63.62862	1.3
64.13952	1.3
71.01386	10.7
73.02948	2.5
85.02952	5.7
87.00881	5.5
88.00398	2.9
88.98818	100.0
89.02456	53.6
89.76148	1.4
99.04539	2.3
101.02442	4.7
107.01366	3.9
111.00908	12.5
113.02466	3.7
119.03497	4.1
121.02940	3.7
122.03806	1.6
133.02924	1.5
135.04549	2.1
151.00403	7.2
161.04524	2.4
166.01424	1.6
172.91385	1.3
179.05585	3.0
180.10402	6.3
181.10599	3.9
193.05109	1.7
205.12433	1.6
207.10173	1.8
223.13342	1.6
249.96547	1.5
255.03038	2.2
267.12442	5.4
283.02536	5.1
284.03262	17.0
285.04062	11.8
299.01846	4.1
301.03583	2.0
308.74789	1.6
313.03589	3.1
315.05170	2.8
345.10828	3.4
429.17065	2.0
446.08826	2.0
447.09320	35.8
447.18567	6.9
448.09668	1.9
471.92294	1.3
580.65082	1.3
609.14526	7.8
609.23730	3.5
623.79169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97205	0.6
59.01369	2.2
61.98835	39.0
63.61538	0.6
63.96226	1.7
69.03443	0.7
69.74208	0.8
69.74537	1.6
71.01392	7.2
73.02944	1.1
73.18152	0.6
78.98598	6.7
79.95745	11.7
80.68549	0.6
80.96525	65.0
81.03445	1.0
82.95403	0.6
85.02959	3.3
86.86719	0.6
87.00874	2.6
94.98089	14.5
96.96024	1.4
97.02950	2.0
99.00885	0.7
101.02461	2.0
106.98100	3.1
122.97572	2.5
125.02468	3.1
126.29812	0.6
127.03999	0.8
134.97600	3.7
136.99141	1.5
138.86574	0.6
142.36169	0.6
146.97513	0.8
148.99171	5.7
152.98672	5.2
164.98633	10.0
172.43675	0.6
188.81020	0.6
203.81786	0.6
206.99707	2.7
225.00752	14.2
291.19614	1.2
299.04379	2.9
417.87170	0.6
571.18634	0.7
609.25903	100.0
610.26294	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	609.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84148	1.4
57.60766	1.3
57.86565	1.3
59.01376	4.0
61.98833	100.0
71.01387	8.3
71.42331	1.4
73.02942	2.0
78.98592	6.5
79.95744	19.0
80.96522	61.1
83.01336	1.2
85.02947	3.8
87.00896	2.3
94.98090	15.1
96.96006	1.8
97.03050	1.3
101.02473	3.3
106.98096	2.1
122.97545	3.0
125.02438	3.9
134.97589	4.9
136.99149	1.4
148.99133	5.3
152.98657	3.0
162.83932	2.4
164.98637	10.7
206.99753	1.3
225.00749	14.7
269.60358	1.4
299.04651	2.9
300.02982	1.3
300.72549	1.3
346.92670	1.3
481.17493	2.8
609.25879	98.9
610.26227	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	609.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77039	2.7
57.03442	3.5
59.01385	67.5
61.98819	3.8
68.33734	2.9
69.03436	3.4
69.20909	16.1
71.01391	55.9
73.02959	13.9
83.01370	3.5
85.02959	21.2
87.00904	6.9
88.98782	3.1
89.02445	37.4
95.01367	3.9
99.00852	5.0
101.02448	48.4
103.65667	2.8
111.00983	3.3
112.12142	2.8
113.02444	20.1
119.03524	16.9
120.25612	2.8
121.02981	3.3
123.08183	8.1
125.02423	8.2
126.68710	2.5
131.03450	4.4
134.06116	10.0
143.03539	6.4
149.06194	3.3
161.04590	27.8
163.11258	9.4
179.05661	17.2
189.12860	10.9
192.06665	11.9
207.14009	13.7
221.06613	4.1
227.03505	4.7
255.02985	38.5
263.07629	4.2
283.02502	77.5
284.03214	15.0
285.01166	4.8
285.04089	58.1
286.04489	2.8
323.09738	8.4
387.20328	12.0
446.08304	13.5
447.09390	49.4
448.09390	3.6
461.06302	3.1
489.10931	5.8
519.19849	30.7
549.25623	100.0
550.25879	4.3
609.14276	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
59.01388	38.2
61.98819	2.6
67.64517	1.8
71.01027	2.3
71.01390	32.9
71.41421	1.6
73.02954	10.4
75.00857	2.5
83.01387	3.9
85.02969	10.9
87.00852	1.9
88.41267	1.7
88.98784	2.4
89.02456	20.6
94.51727	1.4
95.01379	2.6
96.95983	1.7
99.00861	2.9
101.02447	24.3
105.41807	1.5
111.00887	3.2
113.02476	11.1
119.03515	7.7
120.55163	1.7
121.02932	2.8
123.08147	5.5
125.02443	4.6
133.03006	2.5
134.03752	2.5
134.06100	5.1
135.03014	3.1
137.55914	1.7
143.03470	2.1
149.06027	2.5
151.00381	3.6
161.04575	11.5
161.05794	1.9
162.05559	2.2
163.11374	3.9
179.05661	10.3
183.04488	3.1
189.12836	6.6
192.06712	9.1
198.92769	1.9
204.06599	2.8
207.13857	4.8
211.03986	4.0
221.06583	3.0
227.03511	10.3
253.04768	2.0
255.00435	3.0
255.03014	54.9
256.03540	1.7
271.02512	2.2
283.02509	100.0
284.03171	16.5
285.04056	88.0
286.04343	4.0
299.01846	3.1
301.03482	3.0
313.03537	2.2
323.09732	3.6
327.05075	4.5
387.20029	5.6
446.08646	24.1
447.09366	82.5
447.18457	3.1
448.09625	6.3
489.10220	6.9
489.17831	2.2
519.19897	23.5
531.20221	3.3
536.26807	2.0
549.25659	52.3
550.25854	3.9
609.14459	52.5
609.23267	2.9
610.14948	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	609.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01383	100.0
69.22354	2.2
69.49104	6.2
71.01391	45.7
73.02972	3.6
85.02980	11.6
89.02457	49.6
95.01434	2.9
98.09234	2.4
98.22686	3.5
101.02459	27.8
113.02464	17.9
119.03516	24.7
143.03542	4.2
149.04607	3.7
153.26660	3.0
153.72842	2.4
161.04578	9.1
179.05638	13.2
184.60068	2.5
255.02950	5.7
265.83521	2.5
283.02686	5.6
284.03369	5.6
285.04037	11.8
347.11124	2.4
387.20334	9.1
400.12888	3.1
447.09290	12.9
549.25568	99.8
550.25909	4.8
609.14728	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	609.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34758	0.8
55.01873	1.5
55.93462	0.9
57.03452	1.3
59.01384	35.0
61.98833	3.6
69.31367	3.2
69.63557	0.8
71.01387	21.6
73.02960	3.8
73.68324	0.7
81.83061	0.7
83.01396	3.7
85.02964	6.8
87.00948	0.7
88.98813	1.1
89.02452	13.4
89.02955	1.3
95.01394	2.3
97.02920	0.8
99.00902	1.8
101.02459	12.9
103.73183	0.8
113.02465	7.2
119.03516	3.2
125.02444	2.9
132.69781	0.7
149.04549	2.5
151.25371	0.7
161.04532	1.0
179.05600	0.8
203.95264	0.8
239.20091	1.1
285.20676	1.9
429.25058	2.4
447.26184	18.8
609.31348	100.0
610.31610	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	609.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
57.03439	1.3
59.01385	34.8
61.98835	5.6
63.47985	0.5
64.28318	0.5
69.65659	0.5
70.37902	0.6
70.38237	0.8
71.01388	19.2
72.99298	0.9
73.02953	4.0
74.65598	0.5
83.01398	3.1
85.02957	7.0
87.00886	1.5
88.98825	1.0
89.02453	10.5
95.01393	1.7
96.96017	1.6
97.02965	0.6
99.00871	1.6
101.02456	13.3
109.02333	0.5
111.00945	0.6
113.02455	5.8
119.03497	2.8
121.02969	1.2
125.02418	0.7
128.02565	0.5
129.01981	0.5
134.02510	1.2
134.03745	0.6
134.06116	0.6
136.00331	0.6
149.04533	0.8
152.03552	2.1
161.04491	1.1
191.05679	0.7
193.04967	0.7
200.89207	0.5
209.11835	0.7
267.19641	0.7
276.94418	0.5
285.20648	1.5
317.05289	0.6
357.55991	0.6
429.25043	3.9
431.26801	0.5
447.26138	17.0
478.67288	0.8
479.17044	0.7
500.67102	1.0
501.16345	0.6
505.33972	1.8
523.34747	0.6
591.29901	0.7
609.31335	100.0
610.31720	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	609.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
59.01383	97.9
61.98835	38.4
63.60700	1.6
64.56799	1.5
67.74996	1.5
69.03465	1.7
69.26887	3.4
69.27273	4.5
71.01387	29.0
72.88215	1.8
73.02948	10.6
75.00886	2.1
82.95432	2.5
83.01395	6.3
84.95152	2.1
85.02958	12.6
87.00880	6.4
87.04500	2.2
87.94661	1.5
88.98823	6.9
89.02460	14.7
95.01390	4.1
97.02981	2.7
98.21822	2.1
99.00896	5.4
101.02459	18.8
111.00876	3.3
113.02467	12.5
119.03519	3.9
121.47106	1.7
125.02457	3.6
134.03780	2.5
149.04521	4.9
152.03603	1.8
159.03131	1.6
161.04567	3.5
171.14014	2.3
186.45349	1.7
191.05682	2.1
201.14919	2.8
315.25464	2.6
359.28210	2.7
361.29495	8.8
447.22253	14.4
465.27121	9.4
500.66592	2.0
505.33881	100.0
506.34409	3.9
507.27789	3.9
523.35083	20.5
565.36102	4.7
609.28241	11.1
610.30908	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	610.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14702	1.5
57.03439	2.9
59.01384	18.7
61.98506	2.8
61.98836	59.0
63.26549	1.4
63.60645	1.7
70.41537	2.1
70.41875	3.7
71.01378	7.4
84.95139	9.9
85.00455	5.9
85.02963	2.1
85.29846	1.6
87.00893	14.0
88.98826	7.9
89.02449	4.6
101.02462	4.9
123.68562	1.6
151.00381	4.4
161.04510	1.6
178.99907	3.4
206.60480	1.8
227.03476	2.5
243.02982	9.4
255.02992	23.8
270.99548	3.2
271.02499	56.5
272.02911	4.2
299.01926	6.2
300.02768	100.0
301.03464	11.6
342.09164	2.0
487.08893	4.1
505.10397	3.4
505.33691	3.1
506.34573	2.3
547.11005	73.2
548.11365	5.4
636.15900	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	610.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14702	1.5
57.03439	2.9
59.01384	18.7
61.98506	2.8
61.98836	59.0
63.26549	1.4
63.60645	1.7
70.41537	2.1
70.41875	3.7
71.01378	7.4
84.95139	9.9
85.00455	5.9
85.02963	2.1
85.29846	1.6
87.00893	14.0
88.98826	7.9
89.02449	4.6
101.02462	4.9
123.68562	1.6
151.00381	4.4
161.04510	1.6
178.99907	3.4
206.60480	1.8
227.03476	2.5
243.02982	9.4
255.02992	23.8
270.99548	3.2
271.02499	56.5
272.02911	4.2
299.01926	6.2
300.02768	100.0
301.03464	11.6
342.09164	2.0
487.08893	4.1
505.10397	3.4
505.33691	3.1
506.34573	2.3
547.11005	73.2
548.11365	5.4
636.15900	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	610.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08185	14.5
59.01379	61.8
61.98823	22.9
69.44744	60.5
71.01385	29.0
73.02977	22.0
73.09557	15.4
74.02477	90.7
85.02956	15.0
88.98814	38.6
89.02436	29.4
108.65700	17.8
113.02474	24.0
119.05027	24.0
179.03564	26.9
193.05016	21.1
194.05917	14.7
244.60460	15.8
256.88611	19.7
405.15567	62.1
496.42212	17.7
587.30371	18.1
610.14282	30.8
610.23688	65.7
610.32318	100.0
611.29828	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	611.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01385	97.5
61.34293	1.3
61.98808	1.2
66.76323	1.1
69.35345	2.8
69.35754	2.9
71.01022	1.9
71.01389	29.3
73.02947	2.5
79.51129	1.2
83.01392	4.0
85.02961	7.1
87.00888	2.3
89.02458	33.0
95.01382	2.6
97.02833	1.1
101.02465	15.1
113.02470	14.8
116.92770	1.1
119.03524	11.1
125.02457	1.9
131.03490	2.0
134.03720	3.5
143.03514	2.6
149.04526	1.1
158.93907	1.4
161.04507	3.7
165.12866	1.3
179.05592	7.5
180.76767	1.2
190.02702	1.4
193.05121	7.5
194.05598	2.9
207.13853	2.5
209.11858	5.3
218.84959	1.3
225.14984	14.0
227.12923	41.0
269.14017	9.0
287.15088	24.3
323.09879	1.4
341.07016	1.9
341.10919	25.7
341.15326	2.2
379.11154	1.1
383.11899	2.7
431.19400	5.3
449.20010	3.3
593.24982	5.9
611.25525	100.0
612.25464	5.7
616.57501	1.7
636.69580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90478	2.1
56.28598	2.0
57.03483	2.3
59.01384	100.0
60.74594	1.8
60.99307	5.2
71.01389	33.2
72.99315	1.9
73.02949	4.1
75.00880	7.8
78.81309	2.0
83.01385	6.8
85.02986	9.8
87.00890	2.5
88.98815	36.3
89.02458	37.4
93.03471	2.7
99.04507	18.7
101.02458	20.7
107.01414	3.3
113.02468	11.4
119.03529	9.1
125.02491	3.6
131.03516	2.4
134.03764	2.5
135.04521	23.8
151.00400	26.6
158.21135	2.0
161.04572	4.7
165.05554	2.6
165.91106	1.8
167.91879	2.0
179.03476	2.6
179.05576	2.9
189.12921	4.2
190.02693	2.0
193.05067	3.8
205.05035	3.4
207.13931	25.6
209.11835	24.6
225.14977	6.1
251.12935	30.9
252.13112	2.1
269.13977	53.8
287.05621	23.0
311.15128	3.3
313.09418	3.7
332.81018	2.1
386.72275	2.1
389.18149	2.7
431.19232	40.6
449.10690	14.7
449.20255	95.2
450.20657	4.6
611.25598	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	611.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62474	1.1
59.01379	3.2
61.98831	2.8
70.34127	1.1
71.01401	6.6
72.08219	1.3
73.02948	2.4
78.98605	4.3
79.95757	11.7
80.96528	53.3
85.02973	2.3
87.00884	3.9
94.98100	13.9
101.02445	3.7
106.98106	2.4
122.97545	2.2
124.44161	1.2
125.02470	3.4
134.97588	3.1
148.99120	5.0
152.98625	4.2
164.98689	12.3
206.99681	2.4
223.13477	1.4
225.00763	16.9
229.90607	1.3
264.58371	1.2
271.40433	1.6
285.51831	1.3
295.58508	1.3
299.04370	2.6
442.84277	1.3
454.84305	1.3
611.27423	100.0
612.28040	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	611.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94800	4.8
71.01379	5.5
78.08072	5.0
78.95905	53.5
79.95747	6.9
96.00891	5.0
96.96024	100.0
96.96973	69.9
104.96372	4.4
105.00555	4.9
113.92654	6.1
118.96655	7.4
189.00786	5.8
203.70969	5.2
277.21677	31.3
291.04034	14.1
333.05090	7.6
351.06116	29.8
462.09528	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	611.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98840	84.9
62.70047	5.6
63.97175	6.7
71.01388	23.8
71.42574	6.4
83.01403	7.0
85.02954	14.7
87.00900	10.8
88.98812	17.3
89.02466	13.0
93.03475	7.7
99.00839	6.8
101.02441	17.8
111.00959	6.4
121.02985	10.6
125.97579	6.3
153.56966	5.8
191.05653	14.1
221.17395	6.4
234.38629	6.4
507.34561	10.2
526.57312	6.3
611.33014	11.7
629.41315	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	611.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.11603	0.3
57.03442	1.1
59.01384	27.8
61.98824	2.4
62.58611	0.4
71.01385	16.1
72.99300	0.6
73.02948	2.8
75.00906	0.3
83.01402	2.6
85.02485	0.3
85.02956	4.8
86.00108	0.5
87.00861	1.2
89.02463	8.3
95.01399	1.4
99.00866	0.8
101.02454	10.4
111.00883	1.0
113.02450	5.5
119.03509	2.8
125.02406	0.4
130.79242	0.4
131.03586	0.4
151.03992	0.4
161.04619	0.7
176.79427	0.4
179.05650	0.5
182.78236	0.4
191.05615	0.3
237.62717	0.4
241.21767	0.5
287.22437	2.0
414.24420	0.5
431.26440	3.1
445.28000	0.5
449.27585	17.5
450.28140	0.9
520.41827	0.4
593.32056	0.5
611.32886	100.0
612.33142	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	612.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.9
59.01384	99.1
61.01814	3.8
61.98835	100.0
67.25792	3.8
71.01387	25.9
71.45300	4.5
73.02956	4.2
85.02948	7.3
87.04496	4.8
89.02459	17.0
96.96004	5.3
101.02433	19.4
108.59306	3.5
113.02482	8.5
116.92869	4.7
119.03513	3.4
121.02963	8.2
129.00511	3.3
142.36632	4.2
149.39229	3.0
160.01547	3.3
161.04503	3.8
169.76392	3.5
191.05647	3.9
221.23363	3.1
227.03532	3.8
255.02980	11.4
284.03177	5.9
317.65936	3.6
509.27249	7.9
527.28510	6.6
531.11475	8.0
569.29309	7.6
612.32043	41.9
636.36145	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	612.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64006	3.4
59.01388	100.0
61.98828	27.5
69.16929	23.1
71.01393	20.4
73.02952	15.1
83.01407	4.6
85.02952	7.8
88.98819	3.0
89.02435	11.8
98.21922	8.3
99.95865	3.4
101.02450	24.3
113.02444	10.3
119.03508	6.2
143.03458	5.4
161.04584	7.1
161.06097	3.1
179.05698	3.9
191.05577	4.4
226.68436	3.3
260.75278	3.0
450.05054	4.1
509.27618	9.2
527.28650	18.8
569.29730	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	612.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98837	42.3
69.22172	6.7
69.22574	7.1
71.01395	21.4
73.02945	7.5
78.95887	2.3
85.02958	12.4
89.02447	4.7
93.03459	3.6
96.96016	3.4
99.00887	2.8
101.02467	17.6
113.02464	7.3
137.02507	2.9
143.03526	3.2
151.46976	2.4
161.04581	5.9
181.76585	2.4
191.05672	4.5
203.01479	2.5
227.03554	14.2
234.49593	2.4
255.03008	16.7
284.03366	17.4
285.04053	8.6
363.21823	2.7
365.22995	3.0
367.03098	5.9
407.24289	3.1
471.09967	2.5
509.27798	19.5
527.28638	41.9
528.28937	3.9
531.11554	17.5
569.29779	32.7
612.31757	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
67.01904	2.1
69.09667	10.3
72.94521	1.4
85.02979	6.2
88.31390	1.6
90.97171	2.0
98.33047	1.7
99.84892	1.6
108.90226	9.6
111.00881	24.4
124.69729	1.8
127.89039	1.6
129.01944	5.1
132.98216	14.1
151.00165	4.8
156.98196	2.9
158.99776	2.0
166.96608	3.0
173.01033	2.6
183.94420	1.7
184.97705	22.2
198.99260	2.2
201.00864	8.5
208.97710	6.9
226.98752	100.0
228.96672	26.3
238.98778	4.6
270.91800	3.0
270.97726	97.3
281.90195	1.7
282.97717	3.3
330.99896	14.3
354.99847	1.7
487.40427	1.8
553.07196	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	613.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21347	2.4
59.01363	2.8
67.37772	2.6
70.89629	3.6
70.89977	3.2
71.01405	3.3
103.95850	2.6
108.90221	6.7
111.00871	22.3
113.28327	3.0
116.07278	2.7
125.45085	2.6
132.98221	11.5
151.00136	4.9
184.97682	29.1
185.26411	2.9
198.99191	4.1
201.00832	11.4
208.97705	6.0
226.98750	100.0
228.96652	21.0
237.53569	3.0
240.90398	3.0
270.97729	87.9
282.97632	3.8
330.99899	11.0
553.07355	14.6
595.38251	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44023	1.0
59.01382	11.8
61.98843	6.6
67.00891	0.8
67.01888	1.1
69.18870	6.3
71.01400	4.6
73.02979	1.1
85.02950	2.5
87.00883	1.2
89.02448	1.3
93.03487	5.1
95.01360	1.3
96.95986	1.1
101.02454	3.1
105.39304	0.9
111.00849	1.0
113.02459	1.1
116.92881	1.4
119.04999	1.4
121.02960	5.1
122.03749	14.0
124.01669	1.9
133.02950	2.1
135.04466	1.1
136.01715	1.0
137.02420	2.2
139.04041	1.1
147.56837	0.9
149.02455	15.1
150.03244	92.0
151.00366	2.7
151.03670	1.3
164.04799	2.1
165.01903	4.3
165.05586	100.0
166.02742	8.5
166.05898	2.3
171.10300	2.6
175.03989	1.4
179.03404	1.3
180.02937	1.2
180.04306	8.3
181.05096	10.4
191.05583	2.2
191.85861	1.0
193.33475	1.0
195.06642	65.9
196.06984	1.2
205.05057	2.5
205.08691	1.1
221.08159	1.2
225.07672	2.4
255.65358	0.9
372.12326	1.2
387.10199	1.8
387.14767	8.3
402.13135	1.7
417.15579	13.4
528.77252	1.0
565.20667	4.9
613.36755	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	613.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	25.5
60.01710	1.7
61.98837	13.8
63.99280	1.1
65.62024	1.2
69.03445	1.2
71.01390	15.6
72.01707	2.3
73.02952	4.5
82.95404	2.0
83.01389	3.8
85.02962	6.8
89.02464	6.6
93.03448	4.4
95.01376	3.0
96.96016	2.5
101.02444	9.9
102.02767	1.2
102.18998	1.4
108.02186	1.4
109.02972	4.9
111.00935	1.8
113.02442	4.1
116.92873	1.4
121.02962	11.7
122.03754	14.9
124.01680	1.5
125.02454	1.3
125.99103	1.4
133.02962	1.7
134.03787	2.0
135.04564	4.4
136.01703	9.4
137.02458	26.3
138.03261	1.2
139.04105	1.2
143.04684	2.1
147.04495	1.4
149.02440	21.3
149.06166	2.6
150.03241	92.1
151.00366	8.0
151.04051	11.1
152.01131	2.2
152.04776	3.1
160.04080	2.2
161.02472	1.9
161.04559	2.4
163.04005	2.3
164.04799	5.7
165.01945	74.3
165.05588	91.5
166.02733	23.0
166.05899	2.3
167.03459	5.1
175.04044	2.9
177.05582	2.2
178.02751	1.4
179.03502	12.6
180.04292	47.2
181.05072	26.3
187.03984	3.2
189.05623	2.2
190.06343	4.7
191.05641	3.5
193.05156	2.0
194.05849	2.7
195.06644	100.0
196.06903	2.1
197.11838	1.9
205.05019	5.9
210.05336	6.2
220.07417	3.6
221.08118	2.1
225.07712	37.3
225.47766	1.5
227.03397	1.7
241.09525	1.5
255.02921	1.8
284.03119	2.5
305.61197	1.5
306.07690	4.8
329.10202	3.7
356.12515	1.4
357.09546	3.0
357.13477	5.8
364.87357	1.4
372.12250	2.6
373.12988	2.4
387.10596	2.0
387.14627	26.2
402.13196	2.0
403.14008	3.6
417.10455	2.5
417.15543	27.2
418.15948	1.7
450.27826	3.9
451.28082	3.6
467.29947	3.0
531.11261	2.1
535.19299	5.8
558.38324	1.4
565.20850	78.4
566.20941	4.4
612.33276	21.1
613.22900	3.6
613.33447	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	613.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
58.00589	1.8
59.01386	40.1
61.98836	17.7
69.94150	3.8
71.01390	20.9
72.47089	1.6
72.99266	1.8
73.02954	7.2
80.91677	3.2
81.03468	2.2
83.01418	2.4
83.05023	6.3
85.02956	6.3
87.00881	3.5
89.02452	14.7
93.03458	2.2
95.05045	1.7
97.02966	3.8
97.06579	3.4
99.00904	3.7
99.04509	2.0
101.02446	16.8
105.86897	1.8
107.05034	5.4
110.03749	2.3
111.00886	5.9
112.38919	1.6
113.02444	9.5
116.92841	2.1
119.03490	4.8
121.02956	4.3
125.02449	4.4
125.06071	6.6
125.09733	8.1
133.70210	1.7
134.03745	2.9
135.08159	4.0
139.07645	3.3
141.09219	3.2
151.03947	1.8
153.09218	7.3
160.01508	1.8
161.04593	8.3
163.11316	7.3
165.01994	2.0
165.12836	2.2
169.08719	14.3
171.10286	8.4
179.05649	2.9
181.12358	2.7
185.11839	3.2
191.05592	5.3
191.10780	3.2
197.11839	15.2
199.09778	5.9
201.11354	6.9
207.10294	15.2
209.11844	84.1
225.11339	15.2
227.03516	3.7
227.12877	3.7
236.10521	3.0
237.11348	2.8
253.09296	32.4
255.02943	10.8
261.18600	5.0
277.18146	7.7
279.19583	3.0
284.03290	18.0
285.03922	3.3
287.16605	9.6
295.19241	5.1
299.00790	2.2
305.17596	100.0
306.18063	4.1
307.02588	1.7
307.19156	4.1
323.18567	12.1
325.20255	2.5
367.02600	2.1
424.57791	1.6
461.20340	9.6
472.19562	2.6
479.21622	2.9
490.20554	29.9
531.11542	10.4
541.26318	10.6
542.27325	3.9
543.28076	2.0
559.27771	3.3
560.28558	4.9
569.23773	1.8
613.32953	14.6
614.12408	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	613.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	100.0
61.98840	64.9
69.36220	94.9
79.69514	25.1
89.02432	47.7
89.35561	24.7
89.39793	31.3
97.75989	28.3
98.21897	63.2
101.02449	35.8
162.51434	29.9
175.53519	31.3
248.94655	26.0
259.55414	32.1
276.81003	27.3
613.32025	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	614.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37820	0.5
55.34605	0.6
59.01385	2.8
59.99261	0.5
61.98845	4.6
71.01381	1.1
89.02470	1.0
95.01405	0.9
95.07668	0.6
109.98345	0.7
110.99121	4.1
111.00901	0.5
112.02037	0.7
122.02493	2.0
136.04077	2.3
138.98616	14.7
139.99406	1.6
150.01988	5.8
160.76340	0.6
164.98918	1.3
165.00677	0.6
165.01949	0.8
165.99664	1.0
166.01549	1.2
166.98112	9.1
180.01459	1.0
180.02997	7.6
181.03818	2.3
182.04604	7.3
191.05515	0.7
195.05334	7.0
195.06752	0.8
208.02362	0.6
240.03131	0.8
244.00647	1.4
253.99242	1.6
254.99956	1.3
260.00192	1.0
260.98666	2.5
270.99338	0.9
272.00232	13.3
273.01035	5.5
282.00479	2.6
283.01331	1.0
287.02695	7.3
287.99960	1.3
288.03293	0.8
304.02930	1.6
314.03180	1.0
315.03793	1.8
315.99252	5.6
316.99954	1.4
330.00864	0.7
331.01587	12.2
332.02347	18.8
348.01758	1.4
363.04199	39.2
364.04807	5.8
371.48569	0.6
494.07623	14.0
494.14307	0.9
526.10284	100.0
527.10559	3.5
614.11823	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	614.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98032	0.4
57.03439	0.7
59.01389	3.0
61.98835	3.7
69.06133	3.4
71.01366	1.5
73.02959	0.5
74.99122	0.5
77.32204	0.4
85.02970	0.7
89.02431	0.8
101.02424	1.2
110.99100	1.6
111.00938	0.6
119.04958	0.5
122.02493	0.4
123.03194	0.6
137.97861	0.6
138.98607	9.2
139.99390	1.2
141.00179	0.6
148.00388	1.7
149.01183	0.9
153.00270	0.5
163.98119	0.6
164.98907	7.0
165.99686	6.7
166.96809	0.6
166.98094	6.3
179.00447	0.6
179.03519	0.5
180.03038	42.4
181.03436	0.5
183.01192	0.8
186.03142	0.5
195.05334	1.7
212.03574	0.4
214.02814	1.0
228.01070	0.5
228.03093	0.7
231.17967	0.5
240.03026	0.5
241.99228	0.6
244.00735	2.1
244.99089	2.4
245.01463	0.9
253.99037	0.6
254.99988	0.9
260.00247	2.6
269.98611	0.9
272.00311	2.1
272.98599	5.8
273.01093	2.4
273.99399	1.7
275.00272	0.4
282.00497	1.1
283.01028	0.5
287.02414	0.9
287.99658	1.5
288.03088	0.9
297.98242	4.3
298.98886	2.8
304.02844	2.3
305.03809	1.9
315.99216	6.0
316.99954	1.6
319.05121	0.9
320.05865	1.2
328.04987	3.7
330.00766	2.4
331.01508	3.2
332.02292	7.1
345.03122	1.2
348.01862	10.0
349.02252	0.9
363.04208	39.6
364.04913	6.8
468.09604	0.7
479.05453	0.8
485.87634	0.5
494.07465	3.6
494.13339	0.5
505.03485	0.5
526.10272	100.0
527.10712	5.0
535.74402	0.5
613.30707	0.9
614.11902	14.4
614.27441	0.6
615.11389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98838	100.0
71.01389	0.7
123.29914	0.4
126.16986	0.4
157.38177	0.5
171.10307	0.6
197.11987	0.9
215.65013	0.4
237.84564	0.4
588.15942	0.5
613.36169	0.4
613.82733	0.5
614.37585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37186	1.2
59.01383	21.2
61.02140	1.3
61.98837	100.0
71.01373	2.5
98.21806	2.7
99.21930	1.4
101.44845	1.4
197.11818	1.8
415.03009	1.4
444.66757	1.5
465.28802	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	614.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31581	0.6
51.64966	0.6
52.32196	0.6
54.46096	0.8
59.01386	43.7
61.98836	100.0
69.21429	1.1
69.21835	2.5
71.01406	2.3
73.02958	1.0
78.45697	0.6
85.02962	1.2
98.21780	1.4
101.02466	1.9
105.76581	0.6
113.02470	0.7
114.00567	0.6
158.83730	0.7
161.04613	1.2
171.10333	1.1
334.63077	0.7
465.28497	3.1
507.29562	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	615.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20304	0.8
59.01362	2.8
61.98826	2.1
65.00320	1.2
65.99852	1.7
69.63911	2.6
71.01378	1.4
74.04579	0.7
85.27921	0.7
89.02444	1.0
92.99810	2.8
98.21931	1.6
101.02430	0.8
109.21573	0.8
116.37234	0.8
117.03487	1.1
120.99336	8.8
121.01688	1.0
121.02956	1.2
139.03957	0.8
143.01401	1.9
143.68634	0.9
145.02928	5.3
148.50945	0.9
149.01219	6.2
155.01436	4.5
157.02945	7.5
164.03554	1.0
165.05635	0.9
169.01631	1.4
171.00854	3.0
171.10225	2.4
173.02425	1.3
180.03050	1.9
181.01651	2.6
181.03816	1.0
183.00897	6.9
185.01047	5.4
185.02599	4.1
191.99294	1.6
192.04558	1.8
196.04041	13.3
196.05840	1.4
197.01103	1.2
197.11668	1.1
199.00488	2.0
199.02654	0.8
201.01997	8.3
207.01717	1.7
207.10246	1.1
208.00378	1.8
209.01187	11.1
211.00420	9.5
211.99931	1.4
213.01955	1.6
218.06139	1.9
224.03516	8.2
225.00653	4.9
225.11261	0.9
226.01466	2.6
226.99855	2.7
227.03456	1.0
229.01434	1.1
230.06207	1.0
237.00687	3.3
238.99977	1.5
239.02173	6.2
242.04382	1.1
246.05608	3.0
252.03036	16.1
253.00140	7.1
254.99269	1.4
255.01732	1.1
258.05490	2.3
260.03806	0.7
260.07077	4.8
262.05103	0.9
264.06616	1.4
274.05090	8.6
276.06671	3.5
284.05658	13.2
286.05194	6.5
287.03406	1.0
288.06689	5.9
295.66727	0.9
298.05139	1.4
302.04620	7.8
304.06140	3.2
314.04639	19.1
316.06219	8.1
330.03656	9.2
331.04651	2.3
332.05698	15.2
342.04129	11.1
343.04282	1.1
358.03571	47.3
359.03946	2.8
360.05191	11.8
384.03769	1.5
386.03079	100.0
387.03412	5.8
390.06476	1.6
392.07788	24.7
403.03079	1.2
418.05701	76.0
419.06064	3.8
448.07028	1.6
539.10986	13.0
551.07495	1.2
583.09869	20.4
584.10364	1.4
615.12610	54.5
616.13086	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	615.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43148	0.5
52.84302	0.4
59.01387	4.0
61.59841	0.4
62.29384	0.4
65.00323	1.1
69.25771	2.3
69.26184	0.8
80.07012	0.5
83.01418	0.6
85.25081	0.4
93.19041	0.4
98.22658	0.7
107.01407	1.8
117.03458	0.5
132.02155	0.9
135.00920	0.8
141.72374	0.5
144.05051	0.4
151.00374	1.8
155.05003	0.8
159.04442	0.9
164.01176	0.7
167.05075	0.5
182.03732	1.0
183.04533	5.4
185.02550	1.1
187.03981	0.9
203.82889	0.4
211.04027	3.7
212.04512	0.5
213.01936	0.5
224.65970	0.4
227.03517	69.8
227.72993	0.5
228.03865	2.4
229.05194	0.5
239.03455	1.0
255.03003	100.0
256.03558	8.3
257.04181	0.5
268.03638	0.6
283.02502	27.6
284.03284	86.7
285.04007	20.5
286.04135	0.7
435.07156	0.5
441.67145	0.5
453.08353	23.7
454.08807	1.9
471.09534	3.8
495.09747	0.7
513.10492	5.5
555.11469	8.6
556.11823	0.9
573.12634	1.4
615.13605	39.1
616.13928	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	615.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27482	6.6
59.01385	52.0
61.98838	100.0
64.53902	6.8
69.25705	11.7
69.26120	29.1
71.01404	12.8
77.34779	6.2
81.67171	8.3
84.60833	7.0
85.02988	13.0
96.96035	23.9
101.02488	11.8
111.00884	10.1
136.85327	6.8
142.35835	7.3
145.02963	9.3
166.02686	13.2
171.83809	7.2
174.01732	16.8
181.05069	18.9
304.00226	8.0
409.39313	10.0
417.15613	46.3
434.95120	7.0
631.71204	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	615.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.5
59.22975	1.8
61.98832	9.7
69.50177	7.6
71.01392	15.2
73.02956	2.1
85.02944	3.6
87.00883	1.9
89.02467	10.9
98.22663	4.2
101.02462	10.9
103.04028	4.1
111.00883	9.1
113.02443	9.5
119.03496	4.9
134.03809	3.1
160.04066	2.3
161.04585	4.8
179.05608	4.1
191.05646	2.4
193.05092	2.6
253.05075	2.2
417.24814	4.1
515.56641	2.6
579.30261	100.0
580.30859	4.3
615.27905	43.0
616.28168	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.5
59.22975	1.8
61.98832	9.7
69.50177	7.6
71.01392	15.2
73.02956	2.1
85.02944	3.6
87.00883	1.9
89.02467	10.9
98.22663	4.2
101.02462	10.9
103.04028	4.1
111.00883	9.1
113.02443	9.5
119.03496	4.9
134.03809	3.1
160.04066	2.3
161.04585	4.8
179.05608	4.1
191.05646	2.4
193.05092	2.6
253.05075	2.2
417.24814	4.1
515.56641	2.6
579.30261	100.0
580.30859	4.3
615.27905	43.0
616.28168	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	616.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01720	0.3
60.51564	0.3
61.98837	3.6
71.01398	1.2
71.41581	0.3
73.02959	0.4
73.18253	0.2
74.17387	0.3
78.01591	0.3
82.95446	0.4
85.02985	0.4
85.11312	0.2
89.02483	0.9
96.96024	0.5
101.02472	1.1
113.02477	0.8
119.03661	0.3
121.02970	1.9
125.02470	0.3
133.03046	0.4
139.04019	0.4
146.04718	0.3
160.04063	3.0
175.03979	0.3
204.03178	0.4
244.86049	0.3
252.91254	0.3
255.02945	0.6
256.03470	0.5
283.02518	0.9
284.03217	1.0
301.00217	0.3
326.04196	0.5
327.04639	0.4
355.01474	0.4
366.08170	0.4
370.82828	0.3
383.00900	1.8
616.32965	2.2
617.22565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98830	2.0
66.72425	0.4
69.30979	0.8
69.31372	1.5
71.01391	1.2
87.00887	0.4
89.02451	0.7
96.23334	0.4
98.21935	0.7
101.02447	0.4
120.62458	0.4
121.02980	8.8
126.90347	0.5
128.51413	0.4
134.72131	0.4
146.19461	0.4
146.27625	0.4
159.47960	0.5
160.04102	1.2
184.31317	0.4
186.24333	0.4
196.95799	0.5
206.11671	0.4
283.02615	0.6
346.29428	0.5
413.74857	0.5
414.13284	0.5
442.22067	0.7
616.33893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11249	3.1
61.98840	100.0
68.33981	3.1
71.03430	5.0
82.93053	3.9
87.75261	4.1
96.86777	3.3
246.97716	3.7
464.75107	4.1
600.44415	4.1
629.05426	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	617.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76829	0.7
59.01386	100.0
69.34995	3.1
89.28877	0.8
115.02541	5.9
117.00434	6.6
132.98219	5.9
141.00539	0.9
153.62033	0.7
156.99881	0.9
157.03601	1.1
159.01511	55.5
160.01642	1.5
174.99263	37.5
201.02571	9.6
202.02719	0.8
217.00320	77.3
218.00760	1.0
232.98340	2.3
248.96182	0.9
259.01752	1.6
274.99371	4.3
290.97174	4.7
301.02695	24.3
302.03088	2.1
317.00436	56.7
318.00604	1.4
332.98215	21.7
348.96097	0.9
359.01312	4.7
359.15286	0.8
374.99261	29.0
376.00070	1.0
390.97433	1.8
459.01581	5.0
460.02136	0.8
474.99362	24.0
475.05621	1.3
475.99448	1.4
490.97461	0.9
555.00635	1.9
556.98456	32.1
557.98840	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	617.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38731	7.9
59.01378	100.0
61.98842	15.4
65.66958	8.9
69.31782	38.5
71.01384	20.5
77.46817	9.2
85.02980	10.4
89.02457	12.4
96.96008	17.6
101.02478	14.6
107.69273	8.1
121.02954	70.2
152.01115	10.3
175.03973	9.7
175.83304	8.4
191.05655	17.6
327.08868	11.4
424.40518	10.1
481.17416	10.4
617.29669	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	617.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66240	12.8
51.07898	13.1
51.46884	12.1
59.01377	58.5
61.98829	67.8
69.10384	88.6
70.81211	12.6
71.01378	17.8
82.02324	10.3
85.02975	15.6
96.96021	100.0
96.96984	25.4
98.22707	23.7
121.02962	25.2
150.03226	14.3
165.05629	16.6
175.04036	13.2
196.64044	10.7
207.55673	14.0
236.46677	11.5
289.02533	17.8
559.60278	13.7
574.48871	12.1
579.62793	13.1
585.36194	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	617.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60107	1.2
56.86939	1.1
56.96268	1.1
59.01390	10.1
61.98840	15.9
70.25135	1.2
71.01385	3.6
81.03424	1.2
81.61923	1.3
83.01397	1.9
83.05033	3.5
85.02946	1.9
89.02448	1.9
94.94923	1.2
101.02438	3.0
102.60786	1.2
103.12914	1.1
161.04601	2.1
163.11307	3.9
165.12837	1.9
171.10286	100.0
172.10596	3.0
209.11852	88.6
210.12170	3.5
227.12950	10.9
235.08136	3.9
240.55959	1.2
253.09279	7.6
261.11172	1.2
275.51730	1.1
283.13568	1.2
325.93219	1.4
407.19144	2.7
478.67114	1.4
617.35535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76313	2.4
59.01387	100.0
61.98824	3.4
69.99841	5.4
70.00208	5.5
75.00880	11.2
91.68801	3.2
92.80076	2.9
99.60596	2.6
103.00371	8.9
103.01499	81.7
154.53050	2.6
188.59439	3.3
189.38228	2.7
244.82655	2.8
280.43100	2.6
286.22458	3.0
302.07626	3.3
488.08340	2.8
491.43796	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	617.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.01648	15.9
61.69163	9.6
61.98825	13.3
63.58268	11.1
69.28555	62.0
72.59454	10.6
78.95895	21.8
83.56496	10.5
96.96007	16.8
98.36600	11.7
103.01496	81.0
105.52907	12.4
114.02279	10.0
199.58897	11.1
398.35840	11.8
455.43253	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	617.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63732	0.9
52.01097	0.8
57.03443	1.7
66.29819	0.9
67.14528	1.0
83.05022	2.8
85.63737	0.9
98.22640	2.1
108.02172	1.0
109.06646	1.5
111.08204	1.6
115.07718	1.0
125.09750	1.6
126.97167	0.9
127.07657	4.3
127.11345	1.2
137.09775	1.3
151.11275	1.6
153.09283	1.7
153.12846	2.0
155.10818	2.2
163.11334	1.2
165.12782	1.1
171.10291	1.5
178.09969	1.2
181.12341	2.8
185.11795	4.8
197.11885	6.0
201.11380	1.4
209.11830	22.8
213.11467	1.6
238.12096	1.4
241.44060	1.0
245.19243	1.5
247.20668	3.3
263.20313	1.4
265.91028	1.0
273.18509	1.3
289.18130	6.2
291.16495	1.5
291.19666	23.8
307.19150	35.8
308.19736	1.0
309.20724	100.0
310.21021	4.6
314.99844	1.1
325.20178	21.7
407.41003	1.1
581.38458	4.1
595.55280	1.1
599.39386	3.5
617.40503	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	618.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51322	0.2
54.40763	0.2
57.03455	4.5
59.01386	5.6
61.98844	2.0
71.01384	1.6
71.41808	0.2
71.79727	0.2
73.02956	0.5
77.12209	0.2
81.03447	0.3
81.51151	0.2
85.02955	0.7
89.02442	1.3
99.04545	1.4
100.03805	0.2
101.02455	2.2
103.04017	0.3
109.09412	0.2
113.02453	0.4
119.03520	0.4
121.02967	1.3
121.05337	0.6
121.53289	0.2
125.02466	2.6
136.05313	5.7
149.06032	0.3
150.05579	0.3
163.06181	0.5
166.05113	100.0
167.05478	1.6
188.07147	0.2
203.51482	0.2
438.28659	0.8
474.16226	18.6
475.16541	0.8
516.17303	4.3
556.20490	0.5
618.20648	1.4
618.34979	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16699	0.5
50.53666	0.5
52.77789	0.5
59.01385	100.0
60.01749	0.7
61.98832	3.3
70.78097	0.9
71.01407	0.9
80.36987	0.5
82.33416	0.5
89.02462	1.2
93.03473	0.7
96.96109	0.5
100.98996	0.5
103.54164	0.5
111.00898	1.2
121.02980	7.7
137.02512	1.3
142.36110	0.6
160.04068	0.9
165.05678	0.5
175.09756	0.7
191.05643	0.9
506.89203	0.7
618.25714	3.2
627.13135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19361	0.2
59.01385	100.0
60.01719	0.7
61.98837	1.9
67.40608	0.3
68.76299	0.3
69.50628	1.0
71.01392	1.0
73.02967	0.3
85.03021	0.3
85.86607	0.3
89.02462	0.5
93.03478	0.8
96.96033	0.6
99.00935	0.3
101.02470	0.5
108.02186	0.3
109.03041	0.3
111.00930	0.6
113.02482	0.3
121.02966	7.6
125.09742	0.2
129.05647	0.2
137.02501	1.1
140.60907	0.3
167.03593	0.4
175.04068	0.3
175.09888	0.5
191.05644	0.2
275.59573	0.2
404.22034	0.3
558.23669	0.4
618.25537	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	618.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.1
61.98834	3.2
67.53754	0.9
69.65611	2.9
71.01390	2.6
73.02943	1.7
85.02953	0.9
86.17481	0.8
89.02460	2.9
98.22591	1.2
99.00890	0.8
99.92610	1.2
101.02442	1.3
111.00888	1.5
116.92884	9.0
121.02977	100.0
122.03329	1.8
122.26536	0.9
134.03667	1.4
157.92873	0.9
163.03986	0.9
191.05760	0.9
266.51520	0.7
341.36154	0.9
404.20728	1.2
496.23489	2.7
508.23187	2.4
520.23279	2.6
538.24585	1.4
540.26013	27.2
558.27142	31.4
559.27411	1.7
618.22485	1.8
618.34534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03438	1.0
59.01384	47.1
61.98843	3.8
69.03427	1.1
71.01032	1.1
71.01390	17.1
73.02921	0.8
74.02523	0.8
83.01357	1.3
84.04532	1.7
85.02969	6.3
87.00880	1.5
87.80066	0.8
89.02448	12.5
89.95947	0.8
95.01385	1.9
96.95972	1.2
101.02460	10.3
102.05616	26.0
113.02457	6.3
116.92863	2.2
119.03506	4.6
119.04999	1.7
121.02975	12.2
128.03552	54.5
146.04616	10.8
154.04085	0.8
160.04013	1.4
163.04002	1.1
165.12808	0.8
166.05084	1.1
195.13847	1.3
205.12221	1.6
223.13484	5.5
227.12750	1.3
229.32126	0.9
265.17929	1.5
291.19620	3.1
308.18555	1.9
309.20792	6.4
327.21814	1.0
400.80984	1.0
439.19870	1.9
489.27173	20.0
519.85291	1.0
574.31647	1.2
580.50812	1.0
600.30444	7.7
601.29279	1.1
618.31250	100.0
619.31628	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	619.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25710	0.3
59.01385	8.0
59.50121	0.3
60.01713	0.5
61.01828	0.4
61.98837	100.0
67.16917	0.4
71.01397	2.4
72.99333	0.5
73.02959	0.7
79.95746	0.3
82.95435	1.2
83.01411	0.5
85.02972	1.1
87.00891	0.7
89.02467	1.4
93.03539	0.3
96.96020	4.4
101.02482	1.5
104.56483	0.3
104.59328	0.4
111.00880	0.5
113.02499	0.4
114.94949	0.4
116.92865	0.8
119.03499	0.5
125.09730	0.7
134.03746	0.4
148.05240	0.4
179.05606	0.3
193.05070	0.6
415.91907	0.3
575.30902	1.0
618.35065	0.8
619.17554	0.7
619.25513	0.4
619.35522	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	620.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62730	0.2
59.01385	100.0
60.01721	0.6
61.98835	0.5
71.01392	0.9
82.95416	0.5
85.02975	0.3
89.02461	0.3
96.96043	1.2
101.02450	0.5
111.00869	0.4
121.02962	4.0
128.25917	0.3
149.04582	0.3
161.04626	0.3
168.57677	0.3
175.03972	0.3
182.08167	0.3
191.05634	0.5
227.03679	0.7
254.49184	0.3
255.02946	1.4
271.20969	0.3
284.03339	1.3
285.04260	1.2
330.65784	0.3
435.42703	0.3
469.84183	0.3
620.27325	2.9
621.15192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01386	33.2
60.99031	1.0
60.99311	16.2
61.98841	11.6
69.22792	1.1
69.27551	6.0
71.01394	7.5
73.02934	3.1
82.95414	1.1
83.01398	1.3
85.02954	3.8
87.00891	1.3
88.98812	100.0
89.02436	2.9
95.01432	1.4
99.00864	2.2
100.93345	1.2
101.02479	5.2
108.47987	1.1
113.02456	3.2
116.92888	1.7
119.05091	1.0
125.02471	1.1
130.21635	1.4
143.95093	1.0
147.09258	1.0
151.16560	0.9
161.92889	1.1
223.13435	1.4
227.03456	1.3
255.03044	5.1
283.02405	5.9
284.03250	1.5
285.04013	3.2
373.25964	3.0
397.13403	1.5
439.27032	1.5
446.08569	1.9
512.94812	1.2
535.31171	2.5
561.29211	2.0
577.32349	30.9
620.40680	2.5
621.14709	2.7
621.30127	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	621.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33571	0.5
57.03443	0.5
57.87280	0.5
58.52617	0.5
59.01384	8.5
61.98830	2.0
65.00327	1.2
71.01394	4.7
72.12801	0.5
73.02930	0.8
75.37762	0.5
79.63442	0.6
83.01398	1.0
85.02964	1.5
89.02454	2.5
93.03457	1.4
93.12045	0.5
96.96007	4.2
98.21844	1.7
98.95518	0.8
99.00871	0.9
99.92579	3.4
100.93371	2.3
101.02451	2.2
107.01411	1.7
109.02950	0.7
111.00895	3.2
113.02448	1.9
115.92142	2.8
116.92860	4.0
118.90013	0.8
121.02855	0.6
125.02460	0.7
126.94925	0.7
129.02002	0.6
132.02220	1.3
135.00922	1.6
135.98346	1.0
138.16676	0.5
143.05058	0.9
151.00389	2.9
154.99989	0.6
157.06656	0.6
159.04576	0.7
163.00386	1.9
178.99931	0.6
183.04556	3.1
185.02396	0.8
185.06218	0.9
187.04050	1.6
191.05673	0.6
197.06134	0.9
199.03940	0.8
201.11359	0.6
211.04031	2.5
213.05566	0.8
227.03510	39.4
228.04192	1.0
229.05014	5.6
239.03493	1.5
253.04648	1.3
255.02997	81.2
256.03708	5.3
257.04526	4.3
267.03000	0.7
283.02509	10.8
284.03281	100.0
285.04034	56.2
285.07416	1.0
286.04382	1.5
385.72162	0.6
409.89578	0.5
455.01749	1.2
528.67999	0.7
561.13031	4.8
561.28931	0.9
577.82666	0.7
579.13379	1.7
579.30945	0.6
584.34058	0.7
585.05072	0.6
602.67023	0.6
620.38550	1.0
621.14691	72.0
621.31421	2.9
622.15009	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	621.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.0
61.98821	0.6
63.02411	0.8
65.00347	0.7
71.01390	5.3
73.02962	2.1
82.37257	0.6
82.78138	0.6
83.01396	1.3
84.62974	0.6
85.02956	1.7
87.00901	0.8
89.02449	2.7
93.03463	0.8
94.10495	0.5
94.31956	0.6
96.75645	0.6
99.00922	0.8
101.02471	2.6
107.01398	2.6
109.02949	0.7
113.02460	1.7
121.47761	0.6
125.02435	0.6
132.02222	1.4
135.00903	2.1
151.00371	3.3
154.04266	1.0
159.04567	1.0
161.04567	1.2
163.00369	2.4
178.99905	0.7
183.04521	1.8
185.06038	1.6
185.72827	0.6
187.04021	2.0
199.04042	1.1
211.04027	3.2
213.05548	1.7
227.03513	40.2
228.03975	1.2
229.05008	9.2
239.03609	2.4
241.05035	1.8
255.02998	81.0
256.03656	6.1
257.04553	6.7
267.02994	0.9
283.02487	10.8
284.03287	100.0
285.04050	85.0
286.04410	2.5
399.24081	1.1
417.24918	1.0
446.08487	1.0
483.21381	0.6
555.63770	0.6
561.12421	5.2
561.29224	6.7
579.29999	5.9
621.14655	90.0
622.14874	5.4
636.61633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87479	0.5
59.01379	4.3
61.98846	0.9
63.02389	0.8
65.00325	0.9
81.23170	0.5
81.61329	0.5
85.02975	0.5
89.02462	0.9
91.24302	0.6
93.03468	0.8
95.01392	0.8
98.21898	1.4
101.02457	1.2
107.01416	2.2
117.03498	0.5
121.26797	0.5
121.63508	0.6
132.02180	1.4
135.00931	1.4
151.00368	3.3
159.04509	0.8
163.00409	1.0
164.01225	0.6
175.44720	0.6
178.99869	0.7
183.04547	2.7
185.02455	0.7
185.06174	0.6
187.04065	1.7
199.04018	1.0
211.03949	3.5
227.03516	38.1
228.04112	0.8
229.05026	3.3
239.03595	1.3
255.03014	85.5
256.03625	5.1
257.04599	2.8
267.02863	0.7
277.09262	0.6
283.02505	11.4
284.03299	100.0
285.04047	38.8
286.04404	0.9
309.04172	0.9
370.58496	0.6
561.04645	1.0
561.12610	10.8
561.29663	0.7
621.14679	66.7
622.14783	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	621.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01398	0.6
59.01381	1.3
63.02410	1.4
65.00341	0.9
69.34731	1.4
69.35136	1.6
82.07520	0.5
83.01405	1.3
93.03453	0.6
98.21926	0.8
107.01418	2.1
111.00900	0.7
117.03482	1.0
118.14451	0.5
118.82722	0.6
132.02232	0.6
133.02946	0.8
151.00381	4.7
163.00301	0.9
165.01971	0.8
171.04488	0.6
183.04498	2.3
185.02484	0.8
187.03996	1.2
199.04013	2.2
211.04121	3.2
215.03549	0.8
226.02731	0.7
227.03523	16.3
229.05020	2.0
239.03426	0.7
243.03014	2.2
255.03012	63.2
256.03604	3.5
257.04428	1.5
270.99554	1.2
271.02524	22.5
272.02881	1.2
283.02505	64.8
284.03253	33.3
285.04050	21.8
299.01996	36.0
300.02539	1.9
301.03555	11.3
327.04950	0.6
398.98285	0.5
446.02567	1.2
446.08609	21.2
447.09286	11.8
448.10574	0.6
459.09250	2.0
475.08786	3.6
561.12451	1.7
621.14648	100.0
622.14929	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	621.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90105	0.4
58.16065	0.4
59.01387	3.3
65.00329	0.5
67.20815	0.3
69.11430	3.1
98.21891	1.0
107.01392	0.7
108.01749	0.4
108.88689	0.4
117.03508	0.9
151.00395	1.2
155.05028	0.6
156.86684	0.5
173.06093	0.4
183.04530	3.8
185.02440	0.5
187.04021	0.5
209.02577	0.4
211.03996	2.3
214.91516	0.5
227.03577	3.0
236.91829	0.4
246.73727	0.4
255.03004	44.1
256.03439	1.4
283.02496	100.0
284.03049	5.6
285.01199	0.7
285.04092	11.2
286.04401	0.5
307.21399	0.5
308.48984	0.4
399.07254	1.1
445.07721	2.0
446.08569	36.4
447.09180	3.5
459.09290	7.5
561.12543	1.0
621.14679	23.4
622.14972	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1467
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01387	0.5
63.02421	0.5
65.00333	0.7
69.19904	2.5
71.11477	0.4
78.72255	0.4
83.01410	0.4
92.64848	0.5
93.03494	0.9
98.22610	1.1
107.01407	0.6
116.22358	0.4
116.86545	0.4
117.03510	1.2
129.46906	0.4
139.92542	0.5
151.00403	1.6
159.04539	0.6
182.03789	0.5
183.04529	3.1
187.04008	0.6
199.73341	0.4
211.04027	2.9
213.05690	0.5
213.77602	0.4
227.03477	3.5
229.05228	0.5
239.03566	0.4
241.05171	0.6
244.63141	0.4
255.03006	33.6
256.03448	0.9
283.02515	74.0
284.03217	3.2
285.04074	100.0
286.04373	2.2
298.04779	0.6
299.05490	0.5
309.04062	0.5
327.05124	3.6
351.05203	0.5
416.07632	1.2
417.08548	2.0
446.08578	15.9
447.09363	20.9
448.09741	0.8
459.09552	5.5
489.10400	1.1
621.14648	27.1
622.15186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01384	9.4
61.98841	1.1
71.01394	2.4
73.02964	1.3
80.52399	0.6
85.02984	0.7
87.00912	0.7
89.02464	2.5
98.21809	1.3
99.17295	0.5
101.02475	1.4
107.01468	1.0
111.70428	0.6
113.02385	0.9
119.03540	0.9
135.04602	0.6
151.00363	1.4
172.78500	0.6
183.04510	2.9
211.04037	2.7
227.03528	3.5
255.03020	43.9
283.02512	100.0
284.03149	6.6
285.04086	21.9
387.73828	0.7
415.06842	1.4
416.07581	20.9
417.08121	4.4
429.08249	0.9
445.07675	0.9
446.08600	16.2
447.09186	1.4
459.09357	5.2
489.10559	11.5
491.45444	0.8
517.26923	0.7
561.12262	1.6
561.19891	0.8
621.14606	28.8
621.22888	1.1
622.15277	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	621.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.7
71.01391	1.9
71.41427	1.1
73.02933	1.0
74.54543	0.6
85.02957	2.2
89.02474	0.7
96.96031	1.3
99.00914	0.7
101.02490	3.5
127.80997	0.7
128.79539	0.6
132.02182	5.9
133.03008	1.6
134.03770	8.0
135.04529	1.3
140.03488	0.7
149.06079	1.3
160.01674	43.2
161.02217	1.6
161.04599	1.5
163.04063	0.6
175.04021	67.2
176.04387	1.9
178.02661	1.5
179.03505	1.0
184.25648	0.6
193.05063	9.7
207.06734	1.2
255.03044	1.4
284.03214	1.3
340.52682	0.8
399.12973	100.0
400.13327	2.8
621.14819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01387	9.3
61.98830	1.9
69.11050	8.1
71.01385	6.6
71.66492	1.0
75.00859	1.4
75.93590	1.1
82.95418	11.0
85.02930	1.5
87.00904	1.9
88.98823	2.2
89.02452	4.6
91.71126	1.3
96.96020	1.9
99.00883	1.7
101.02442	4.7
111.00861	1.2
113.02489	1.8
115.16422	1.2
117.03500	1.7
119.04989	1.5
121.02938	1.3
121.05067	2.6
121.78853	1.2
132.02173	8.4
133.02943	1.9
134.03754	25.1
135.04524	4.8
149.06079	3.1
160.01668	50.0
161.02388	3.6
163.03920	1.6
175.04016	69.7
176.04494	2.2
176.76537	1.3
178.02669	1.2
179.03529	4.8
193.05060	27.0
193.91650	1.4
227.03351	1.4
235.06110	4.2
257.05057	1.2
273.41302	1.1
341.08844	2.1
434.04211	1.4
459.15115	100.0
460.15405	3.9
621.18915	1.7
633.85309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44804	0.8
59.01384	5.2
69.94334	1.4
71.01381	3.2
76.87087	0.8
77.27516	0.8
77.69299	0.8
79.86359	0.9
85.02941	1.2
86.93706	0.8
89.02448	2.9
96.96002	0.9
101.02437	3.7
113.02486	2.2
117.03473	15.0
119.05039	18.0
127.53373	0.9
133.06557	2.5
135.04533	1.6
145.02968	75.2
151.06111	1.9
161.04965	0.8
161.06149	6.4
163.04019	29.7
175.03986	2.0
177.05586	4.4
179.03523	1.8
205.05080	9.1
223.02769	0.9
235.06189	2.5
265.07196	6.3
269.03351	3.5
281.08231	1.0
307.08185	1.0
325.09244	1.3
399.12851	2.1
459.15131	100.0
460.15408	3.4
468.54721	1.0
520.66559	0.9
562.43573	1.0
592.78870	1.0
648.88885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
57.03452	3.8
58.00594	0.8
59.01384	100.0
60.01714	0.8
61.98830	1.1
66.95521	0.4
69.03455	1.6
71.01387	58.5
72.01729	0.4
72.99315	1.1
73.02955	14.5
75.00873	1.1
81.03455	0.6
82.95425	0.5
83.01392	6.6
84.02187	0.6
85.02957	26.3
86.00131	0.7
86.03314	0.4
87.00892	4.9
87.04527	2.3
89.02453	31.1
93.64603	0.3
95.01399	5.7
96.96027	1.4
97.02961	1.9
99.00887	5.8
99.04568	0.6
99.92573	0.4
101.02454	34.1
109.02946	0.4
111.00879	2.7
112.01680	0.5
113.02460	30.3
114.02824	0.4
116.92863	5.0
119.03507	9.3
119.04839	0.4
124.01685	1.3
125.02466	4.3
129.01945	2.3
131.03534	1.2
139.07695	0.4
141.01924	0.4
143.03502	6.7
148.68164	0.4
149.02449	0.3
149.04575	0.8
151.00403	0.5
159.03008	2.6
160.04010	0.4
161.04572	10.7
161.05864	0.7
168.25351	0.3
179.05624	2.7
191.05666	0.5
192.93866	0.4
204.21815	0.3
208.65173	0.4
222.35870	0.3
227.03453	2.6
255.02998	5.2
256.03818	0.4
257.04523	0.4
283.02524	3.3
284.03287	5.5
284.10815	0.4
285.03976	3.3
316.75244	0.5
381.23117	0.5
399.23880	12.9
400.24722	0.9
417.15643	0.9
417.24951	12.7
446.08548	0.9
455.61450	0.4
459.26270	0.7
517.27026	0.4
525.26239	0.5
561.29187	82.2
562.29541	5.6
577.25055	0.5
579.30243	68.2
580.30627	4.3
621.15253	3.9
621.31189	9.9
622.15576	0.7
622.31592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18449	1.6
56.96353	1.5
57.03460	3.1
59.01371	2.8
65.84764	1.4
69.03457	13.2
71.01374	2.0
71.40042	1.9
81.03474	2.1
83.05037	2.4
84.02119	2.0
95.05023	3.1
97.02985	2.6
97.06605	4.0
97.55660	1.6
107.05036	10.4
109.06625	2.1
112.67542	2.0
113.06076	2.4
118.55154	1.9
123.08169	4.4
125.06096	3.5
125.09750	12.2
135.08185	4.0
151.11295	6.6
153.09253	8.3
153.12787	4.2
161.09726	11.0
163.11298	5.6
179.09322	2.5
179.10799	32.6
185.11844	11.8
191.10753	2.4
197.11844	100.0
207.10239	6.7
209.11852	37.5
223.09782	3.5
225.11348	4.2
236.10469	2.5
241.10893	15.6
261.18524	4.4
279.19632	2.4
283.02411	2.5
287.16537	7.4
292.43121	1.9
297.13406	5.3
299.16345	2.2
305.17569	24.6
315.14493	20.5
317.17532	3.7
323.18695	7.7
333.20621	3.0
361.20258	3.2
379.21307	4.0
523.25775	1.9
541.31366	2.1
559.32642	14.2
560.32758	2.3
577.33716	5.6
603.31720	22.4
621.32782	54.6
622.32825	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	622.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23675	0.2
59.01387	1.9
61.98837	100.0
69.16335	1.1
69.16741	0.5
71.01396	0.8
73.02980	0.3
77.53893	0.2
85.02958	0.2
86.03196	0.2
89.02444	0.5
128.06978	0.2
148.05328	0.3
235.04207	0.2
283.02649	0.3
392.43268	0.3
420.18268	0.3
443.24338	0.4
623.31122	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	623.1624
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
57.09044	0.6
57.60821	0.6
59.01379	3.3
70.45977	1.1
71.01392	0.7
85.02979	0.7
88.98824	0.9
89.02451	0.9
98.21896	0.6
101.02507	0.7
103.01546	0.8
107.01460	0.8
115.53693	0.7
121.03049	0.7
125.06088	1.1
133.02997	1.5
135.04570	1.1
142.23228	0.7
143.07135	5.0
151.00418	4.3
151.03922	0.7
161.02498	3.6
179.03557	0.6
184.05334	1.8
186.03316	1.3
199.04004	0.9
200.04858	0.9
202.02588	0.8
214.02782	2.0
216.04308	0.9
217.05151	0.8
219.06631	1.0
226.02760	0.8
227.03545	2.5
228.04193	1.1
241.01447	1.6
241.99695	1.1
242.02220	23.3
243.02969	6.9
244.03828	1.0
245.00975	1.7
254.02179	1.0
255.02957	3.2
257.04398	1.4
270.01721	35.0
271.02515	11.9
272.03210	2.6
284.03049	0.9
285.04053	11.1
286.04584	1.9
287.05435	1.2
298.01251	8.0
299.02017	7.0
300.02756	17.8
301.03113	0.8
313.03564	100.0
314.04245	13.4
315.05121	64.9
316.05478	2.0
320.47208	0.7
357.06107	0.9
445.07709	5.2
460.10107	20.2
461.10727	43.1
462.11258	2.4
475.42145	0.7
477.10388	41.4
478.10733	2.3
622.60822	0.9
623.16138	39.1
624.16205	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	623.1985
Annotation	Farrerol 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
50.06815	0.4
56.05876	0.3
57.03412	0.3
59.01385	7.3
60.79223	0.4
61.98825	1.2
69.61083	0.3
71.01389	4.0
73.02929	0.7
83.01418	0.5
85.02962	1.2
87.00858	0.4
89.02460	3.8
93.03440	0.4
96.96015	1.3
101.02454	2.2
109.02937	0.5
111.00891	0.9
113.02480	1.8
117.03476	16.1
119.03519	1.3
119.05029	8.4
119.05817	0.7
121.02969	2.3
123.04523	0.8
128.03564	0.5
133.06580	1.3
134.03758	1.3
135.04535	7.7
137.02542	0.4
145.02966	100.0
146.03333	1.7
153.01947	0.4
159.03004	0.6
161.02452	0.5
161.06137	3.1
163.04033	6.3
177.05576	0.9
179.03334	0.4
193.04944	0.7
203.70203	0.3
205.05070	2.9
235.06139	0.5
241.01509	0.7
265.07086	0.8
271.02722	0.6
295.10953	0.5
297.09698	0.4
299.01978	1.3
315.10883	3.7
328.21304	0.4
359.97925	0.3
407.64670	0.4
461.14587	71.2
462.14853	3.3
475.17352	1.1
491.11850	1.2
533.17944	0.9
596.61060	0.5
621.21759	0.4
623.21112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71218	5.3
59.01389	27.3
63.77494	5.1
71.01390	25.2
85.23599	5.2
86.97095	4.9
87.74458	5.8
89.02451	9.5
89.50351	6.4
100.48050	5.7
101.02460	8.1
113.02478	9.2
115.00379	10.0
121.02966	100.0
160.03951	8.0
237.04114	20.0
242.02382	6.6
255.03021	11.5
256.03452	6.4
257.03818	6.3
283.02466	20.6
284.02899	11.0
285.03293	19.2
313.03592	28.4
315.05209	17.2
448.09384	7.5
460.09955	10.9
477.10309	35.6
478.11966	6.2
623.14783	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	623.2378
Annotation	Cannabisin G
Peak:m/z	Relative Intensity
51.41732	0.7
54.40737	0.6
55.72799	0.6
59.01390	5.0
59.70764	0.5
61.98833	31.5
62.98505	0.6
63.96233	1.2
69.03468	0.8
69.22586	1.3
69.22991	2.2
71.01383	9.7
73.02929	2.4
78.95908	1.0
78.98592	5.1
79.95740	30.3
80.96521	59.5
81.03441	0.9
83.01392	0.8
85.02947	3.1
87.00879	3.2
89.02434	1.9
90.31888	0.5
94.98095	13.7
95.01395	0.6
96.96017	1.6
97.02963	1.8
99.00874	1.1
101.02444	5.1
106.98098	2.8
113.02454	2.0
122.97588	2.9
123.46896	0.6
125.02456	3.0
127.04020	1.5
133.88846	0.7
134.97569	4.0
136.99159	1.4
148.99144	5.7
152.98633	5.2
161.04524	1.5
164.98637	10.9
179.52400	0.7
206.99696	3.3
209.11818	2.2
225.00749	16.7
225.11250	0.6
241.00267	0.8
299.04361	2.7
371.06390	1.6
399.09793	1.7
441.13873	1.1
461.32709	1.2
497.16968	3.0
498.41135	0.7
525.16888	1.4
599.60980	0.6
623.23743	100.0
624.24176	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	623.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18134	0.9
52.06955	0.9
57.77068	0.8
59.01391	13.8
61.63586	1.0
61.98830	10.4
63.96230	1.4
68.91617	0.9
69.17469	4.8
71.01398	10.5
72.99297	0.9
73.02946	2.5
75.17493	0.8
78.95889	1.8
78.98582	4.1
79.34539	0.8
79.95746	29.1
80.96526	64.2
85.02991	4.9
86.75372	0.8
87.00851	3.2
89.02421	3.8
89.13072	0.9
94.97604	1.2
94.98100	14.6
96.96016	1.1
97.02927	1.3
99.92545	1.3
101.02450	5.2
106.98057	2.8
113.02435	1.5
116.92875	6.5
118.98081	1.1
119.03513	1.2
122.97601	1.9
125.02409	3.2
134.97603	4.2
148.99150	5.5
152.98625	4.9
157.82697	1.1
161.04565	1.6
163.11243	1.4
164.98640	11.0
206.99609	2.8
207.10217	2.2
209.11740	1.4
225.00778	15.7
225.11220	1.4
241.00127	1.7
261.80121	1.0
285.00156	0.9
299.04269	3.3
302.30923	1.0
407.22440	1.1
425.23077	2.2
443.24185	3.5
497.16965	1.6
520.12598	1.1
525.16528	1.8
563.13824	1.4
591.13983	1.9
623.23425	100.0
624.23901	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3078
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
53.25207	0.8
56.81719	0.7
57.03453	1.3
59.01385	41.2
59.85696	0.7
61.98838	77.8
63.15693	0.7
69.75624	2.6
71.01389	16.2
73.02948	1.4
73.59041	0.7
79.95743	0.8
80.22723	0.8
80.96519	1.7
83.01377	1.5
83.41722	0.7
85.02955	4.1
89.02450	10.9
95.01418	1.3
98.22664	1.3
101.02454	9.7
113.02475	4.4
119.03523	3.5
119.77231	0.8
128.02026	0.9
133.64207	0.7
134.03745	2.2
135.04543	2.1
135.08220	1.0
148.05338	11.9
150.03249	1.2
150.06940	1.0
159.88339	0.7
161.06114	2.8
162.03218	2.3
171.10324	0.9
175.04051	1.6
176.04744	4.6
180.04376	3.1
185.06160	0.8
187.07689	1.0
188.04767	2.2
189.05579	9.1
202.06419	1.0
203.07172	7.6
204.07941	0.9
207.10252	0.9
209.11865	1.5
217.12270	1.1
225.11359	0.9
231.06833	1.0
231.14026	1.0
271.13376	0.8
273.15021	2.8
301.14404	2.8
310.49887	1.0
313.78174	0.9
317.14029	1.2
374.17322	2.6
394.29330	0.9
412.73422	0.8
425.23456	3.7
443.24384	13.4
444.24585	1.5
605.29480	6.4
623.30884	100.0
624.31525	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	623.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03441	13.2
59.01386	100.0
61.98838	42.9
62.46576	2.5
71.01392	54.6
73.02966	19.3
74.97639	3.0
78.91892	2.4
78.95919	4.5
79.18809	2.5
79.95736	5.9
80.96509	13.1
83.01385	8.4
85.02956	25.6
87.00848	5.4
89.02451	33.7
95.01385	3.4
96.96019	4.5
99.00888	7.9
99.04538	8.3
101.02457	58.6
102.96033	2.8
103.01514	2.7
105.80474	2.5
113.02478	21.4
116.92866	5.2
118.03001	10.8
119.03465	7.7
123.04496	3.4
125.02454	5.6
134.03751	7.1
135.04553	29.7
147.04576	4.8
148.05299	5.2
151.04037	9.2
161.04565	10.8
161.05994	5.9
171.10394	4.2
174.03227	3.4
174.06871	3.0
175.03973	3.7
176.04839	10.1
179.05667	3.8
189.05577	13.2
191.14491	3.6
203.07048	5.0
207.10158	3.3
209.11807	3.8
233.02739	7.9
235.13446	15.4
257.15356	3.3
261.02240	5.1
273.15039	3.7
276.04568	12.7
289.17902	3.1
291.19724	25.7
301.14532	5.4
307.19107	4.1
309.20728	34.1
313.09219	4.1
315.10757	7.7
414.18604	3.6
425.23325	8.8
436.12521	3.9
443.24161	47.1
461.32767	54.7
623.30963	86.0
624.31824	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	623.3439
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
57.03440	1.9
61.98850	1.3
67.81197	1.0
69.03475	8.1
71.01392	5.4
71.05022	2.8
81.03487	1.1
83.05019	3.6
85.02969	1.3
95.05002	1.0
95.19084	1.0
97.06588	2.8
98.22704	2.3
99.00922	1.2
108.89822	1.1
109.06574	1.4
123.08167	2.9
125.09750	9.3
127.07687	6.0
137.09714	2.7
139.07611	2.4
151.11336	5.5
153.09210	4.2
153.12889	1.9
155.10782	1.4
161.09752	10.0
163.11345	1.1
171.10266	3.4
179.10799	29.3
185.11850	8.1
197.11841	100.0
198.12245	1.7
209.11847	23.3
223.09810	3.6
225.11340	2.6
241.10858	10.5
251.16632	1.1
265.18161	1.5
289.18173	4.3
297.13525	6.3
307.19125	21.4
315.14548	16.2
325.20239	7.9
487.31027	1.3
561.34363	3.9
605.33008	4.5
623.34418	83.1
624.34705	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	624.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	43.1
61.98832	49.5
68.29793	17.8
69.09605	38.3
69.10014	100.0
71.01379	33.2
89.02457	21.7
116.03766	23.7
182.56010	22.3
286.04391	40.3
287.04413	25.8
409.17273	17.9
492.77542	23.8
514.26831	21.4
624.15588	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	71.7
61.98843	26.6
69.15536	100.0
71.01390	38.7
74.41196	15.7
81.05967	15.0
87.00887	16.1
89.02454	34.0
98.33249	16.7
99.00869	18.0
109.06573	23.9
110.95019	16.0
138.52164	16.7
154.59398	17.6
175.77428	16.9
193.59238	19.4
207.10239	19.4
225.11226	23.9
400.46881	16.3
624.16010	23.1
624.25830	80.6
624.39630	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98836	100.0
69.09456	0.9
69.09863	0.8
71.01385	0.8
73.15257	0.3
78.98584	0.5
79.95746	1.4
80.96526	3.8
89.02456	0.3
94.98100	1.0
150.35516	0.3
152.98654	0.5
164.98645	0.8
225.00836	0.9
349.28360	0.3
405.18451	0.3
449.83887	0.4
625.25366	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	624.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98835	100.0
63.40521	0.2
69.12263	1.1
71.01397	1.0
72.39404	0.2
75.14525	0.2
78.33773	0.2
78.98604	0.5
79.95743	2.1
80.96526	4.4
85.02987	0.5
86.33290	0.2
89.02498	0.3
94.98096	1.1
101.02480	0.4
105.89406	0.2
106.86317	0.2
106.98117	0.2
122.97609	0.3
125.02489	0.3
134.97609	0.4
148.99190	0.4
152.98663	0.4
164.98694	1.0
206.99905	0.3
216.82291	0.2
220.77202	0.2
225.00813	1.2
229.85670	0.2
406.57809	0.2
462.33124	0.2
624.38678	0.5
625.25348	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	624.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91006	0.4
59.01385	100.0
59.46778	0.4
60.01720	0.5
61.98834	12.3
63.61966	0.4
69.21522	2.8
71.01383	2.5
73.02966	0.7
75.94862	0.4
85.02991	0.8
87.00889	0.5
88.98830	0.7
89.02474	1.5
95.21141	0.5
101.02493	1.4
101.06085	1.0
104.06290	0.4
111.00909	0.8
113.02449	0.8
119.03526	0.6
121.02956	0.8
134.03745	0.5
142.73537	0.5
160.04092	0.5
161.04684	0.7
177.01932	0.5
191.05716	0.6
396.61139	0.6
453.64935	0.5
624.33588	1.3
652.33429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
61.98837	0.9
69.26166	0.7
70.10044	1.8
83.01391	0.8
89.02494	0.8
101.02570	0.6
107.01420	1.9
109.02948	1.1
121.02986	1.3
139.04111	0.7
143.04921	0.6
150.05524	0.9
151.00394	5.6
155.55035	0.6
155.92442	0.6
161.02454	0.6
162.64618	0.7
163.00380	0.7
171.04573	1.0
175.00478	0.6
175.04123	0.7
178.99931	1.3
193.01482	0.6
199.04012	2.7
201.01903	0.7
207.05524	1.0
215.03551	1.9
226.02936	0.7
227.03511	2.8
243.02968	3.1
255.03064	2.3
271.02512	52.4
272.02850	2.7
299.01993	100.0
300.02667	13.1
301.03564	44.5
302.03943	1.9
314.04211	0.8
343.04684	0.9
369.38031	0.8
462.08099	24.7
463.08838	37.9
464.09299	1.7
477.18979	1.0
535.19153	1.7
625.14160	72.5
626.14545	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	625.1414
Annotation	8-Hydroxyluteolin 8-gentiobioside
Peak:m/z	Relative Intensity
56.39596	0.9
57.03402	0.7
59.01384	22.1
60.73130	0.7
61.98815	0.9
65.00320	1.6
66.35722	0.7
69.26125	1.4
69.26527	3.3
70.60206	0.8
71.01387	13.1
73.02963	4.4
83.01381	1.0
85.02944	2.1
87.00864	1.9
88.98804	1.2
89.02451	18.0
90.42367	0.8
92.02702	0.8
95.01405	0.8
98.22585	1.9
99.00881	5.8
101.02448	7.9
101.60892	0.7
107.01373	2.8
108.02180	3.5
109.02963	9.1
111.00896	0.8
113.02432	4.6
119.03500	3.1
119.05058	0.9
121.02955	3.8
123.04482	1.2
125.02408	1.0
131.03499	2.5
134.03745	9.3
137.02440	1.1
145.02959	3.2
145.30217	0.8
146.03264	1.2
148.01686	1.9
149.04555	8.1
149.06064	3.4
151.00388	12.7
152.01201	4.6
153.01939	9.8
161.04541	1.6
163.00371	2.5
163.03973	1.0
167.03511	5.3
169.01357	0.9
178.02702	4.6
178.99867	7.3
179.05562	1.0
188.18890	0.9
191.03554	0.9
191.05693	2.2
193.05055	19.4
199.04095	1.4
208.91669	0.8
211.03946	1.4
226.02811	1.4
227.03513	3.4
227.12921	1.3
243.02986	9.3
245.04639	1.2
251.84296	0.8
254.02109	1.9
255.03000	27.9
271.02493	63.0
272.03052	3.5
273.04120	1.9
299.02081	2.4
300.02765	100.0
301.03479	35.1
302.03821	1.7
343.04504	1.5
454.30905	0.8
463.08908	1.9
463.15341	2.2
463.21606	1.2
493.23239	1.7
494.16818	3.6
625.14252	84.5
625.27081	15.7
626.14410	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	625.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67258	0.6
57.35273	0.6
59.01405	2.5
63.96265	0.6
65.00349	1.1
68.53784	0.6
68.68335	0.6
71.01405	1.6
71.41610	1.1
74.18843	0.7
87.00886	4.7
88.98828	2.6
89.02492	1.6
96.96021	5.6
101.02473	1.0
107.01402	1.9
109.02966	1.2
111.00880	0.8
119.05074	1.2
121.02948	1.0
133.03017	1.1
134.03749	1.2
141.47946	0.7
148.04114	0.7
150.05624	2.7
151.00389	7.7
161.04813	0.7
162.05559	0.8
162.38512	0.7
163.04012	1.5
166.51082	0.8
171.04529	1.0
175.00401	1.4
175.04008	1.2
178.99937	1.4
183.04510	0.9
193.04976	0.9
199.04068	3.2
201.02007	1.2
207.05360	1.6
215.03458	1.2
226.02713	1.3
227.03505	3.1
243.03030	4.6
255.02979	2.1
271.02502	56.4
272.02979	2.3
297.04303	0.7
299.02002	100.0
300.02634	13.1
301.03555	41.0
302.03909	1.8
331.52002	0.7
343.04550	1.1
369.95468	0.8
436.69574	0.7
462.08096	28.6
463.08865	35.4
464.09079	2.5
477.18744	2.1
505.09906	1.3
535.19501	2.3
625.14075	68.4
626.14197	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	625.2539
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
59.01360	2.4
61.98835	15.1
63.96228	2.1
71.01086	0.6
71.01395	7.2
73.02952	1.9
78.57024	0.6
78.91879	2.6
78.98591	6.2
79.95743	12.3
80.96523	66.1
85.02948	2.7
87.00877	3.2
91.30682	0.6
94.98091	15.2
95.01404	1.0
96.95985	1.4
97.02940	1.8
99.00887	0.6
101.02450	3.2
102.36739	0.6
106.98083	3.8
121.03007	0.9
122.97594	2.9
125.02458	2.9
134.97575	4.7
136.99130	0.9
148.99132	6.0
150.71574	0.6
152.98643	5.8
160.99100	0.6
164.98627	13.1
167.00121	0.8
193.62628	0.6
197.11829	1.3
206.99690	3.0
209.11812	4.5
225.00780	18.7
229.28993	0.9
299.04395	2.9
318.97964	0.7
409.05688	0.7
456.29871	0.7
614.18304	0.8
625.25360	100.0
626.25714	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	625.2539
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
50.53457	0.3
51.57317	0.3
57.03455	0.6
59.01387	5.2
61.52070	0.4
61.98836	100.0
62.98533	0.5
62.99251	0.4
63.96245	0.9
69.03483	0.5
71.01390	5.4
71.42137	0.4
73.02956	1.6
78.95921	0.4
78.98604	3.4
79.95746	15.6
79.96218	0.8
80.96523	34.8
81.03460	0.6
85.02941	2.0
87.00886	2.0
89.02468	1.1
94.90185	0.4
94.98100	8.1
95.01426	0.4
96.96025	0.9
97.02976	1.4
97.06602	0.4
99.00875	0.5
99.04513	0.5
100.50193	0.4
101.02445	2.3
106.98097	1.8
113.02480	0.9
122.97585	2.2
125.02465	2.1
129.40945	0.4
131.78374	0.4
134.97620	2.2
136.99149	0.9
137.02489	0.4
148.99150	2.5
152.98645	2.8
160.01732	0.5
161.04610	0.7
164.30940	0.3
164.98640	6.2
167.00259	0.4
202.01390	1.0
206.99673	1.9
225.00764	10.5
241.00337	0.9
271.11826	0.5
299.04489	2.0
341.05594	0.5
371.06622	0.9
385.08115	0.7
399.09528	0.5
415.26691	0.4
427.12695	0.7
441.14124	1.3
452.90732	0.4
509.17230	1.0
528.43488	0.4
546.12384	0.8
565.34485	0.5
625.25372	65.6
626.25555	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03170	0.9
57.03444	1.8
59.01385	100.0
61.98834	1.1
65.00326	1.5
67.29647	0.9
69.08788	6.1
70.60150	1.0
71.01389	52.3
72.99321	2.8
73.02950	20.6
77.51158	1.2
79.65516	1.1
82.02947	1.1
83.01390	3.7
84.67876	1.1
85.02947	10.6
87.00893	6.8
88.98830	2.3
89.02454	81.9
97.02962	2.5
98.22604	2.8
99.00895	28.9
101.02455	35.7
107.01403	2.6
108.02187	4.5
109.02972	9.4
113.02468	12.5
113.45911	1.1
114.05637	1.6
119.03516	9.7
119.05012	2.0
121.02990	4.1
123.04539	2.9
125.02444	4.4
131.03539	10.9
134.03760	20.5
135.03015	1.1
137.02435	1.8
143.03511	1.9
143.87225	1.1
145.02957	2.3
148.01653	2.6
149.04564	33.7
149.06094	7.3
151.00420	12.7
152.01151	4.0
153.01961	9.5
156.06726	1.4
159.02985	1.2
160.04042	2.6
161.04562	3.4
163.00435	2.0
163.03975	2.6
167.03485	8.1
175.04068	2.0
178.02739	11.8
178.99884	5.7
179.03452	1.9
179.05595	3.8
191.05655	11.3
193.05069	47.9
193.27600	1.1
221.06732	1.4
226.02649	2.0
227.03477	2.7
227.12828	1.4
234.06960	1.3
243.03030	9.7
251.07689	2.9
255.03000	28.7
256.03305	1.3
271.02499	59.8
272.03036	3.4
273.03940	2.2
283.02615	1.4
296.27060	1.1
299.01929	6.3
300.02780	91.6
301.03482	35.8
302.03717	1.3
400.09973	1.4
400.74100	1.1
427.15942	2.9
463.08557	6.6
463.14932	2.0
463.21860	3.4
493.22958	8.3
494.16510	8.5
625.14258	74.7
625.27142	92.1
626.14490	8.7
626.27216	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	625.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03436	1.7
58.00587	0.6
59.01384	34.4
59.97141	0.6
61.98836	3.3
69.03458	1.0
71.01387	19.4
71.25463	0.6
72.08930	0.6
72.99342	0.8
73.02940	4.8
80.02686	1.7
81.03458	2.2
83.01396	2.3
83.05033	6.6
84.02209	0.8
85.02959	4.6
87.00883	4.2
89.02452	20.9
93.03463	0.8
94.18641	0.6
95.01391	1.2
95.05048	0.9
97.02961	2.6
99.00889	3.3
100.06801	0.6
101.02454	15.6
111.04559	0.7
113.02455	7.2
119.03505	5.6
121.02962	1.3
125.02472	5.7
125.06126	0.6
128.70131	0.5
131.03491	1.4
134.03687	0.7
137.02499	0.7
143.03516	2.7
149.04605	3.4
160.01691	1.0
161.04575	4.3
163.04062	0.6
163.11307	4.7
165.12877	2.8
175.04025	1.3
179.03479	0.9
179.05620	3.9
190.02599	0.6
191.05588	0.9
191.10881	1.5
193.05122	0.9
199.13329	0.8
209.11842	100.0
210.12192	2.4
221.06644	1.5
227.12888	20.6
235.08270	5.1
253.09358	1.6
287.07758	1.1
293.08978	0.7
305.08810	0.8
323.09933	1.1
348.77710	0.6
397.13535	30.5
399.13174	0.8
415.14584	18.1
416.15005	0.9
463.21649	4.1
477.50415	0.6
565.61267	0.7
625.27185	5.2
642.00977	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.5
64.21507	1.9
66.54649	1.9
69.03449	6.0
71.05008	2.5
71.93037	2.1
81.49052	1.8
95.40028	2.1
97.06610	2.3
125.09732	6.5
129.09219	12.4
141.09230	6.6
151.11331	5.9
153.12798	2.3
155.10779	4.0
160.83369	2.1
161.09711	5.8
171.10223	3.8
179.10811	15.5
185.11801	19.6
197.11836	100.0
198.12169	2.9
209.11864	6.9
220.57179	2.3
223.09805	2.6
241.10858	8.4
291.19818	5.5
309.20892	3.4
315.14514	7.8
327.21805	15.6
605.74219	2.4
607.35168	3.3
625.35950	86.8
626.36188	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	626.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30989	1.7
59.01384	96.3
61.98837	2.4
68.16864	1.6
69.11304	2.3
69.11939	7.8
71.01398	9.2
72.99319	4.4
73.02965	1.7
75.00853	1.8
78.03497	1.6
81.26567	1.5
84.99351	1.9
85.02969	5.0
87.00883	31.3
89.02457	11.5
91.09770	1.7
99.50138	1.8
101.02446	5.0
103.00385	28.5
106.02969	4.4
107.01377	2.1
108.02229	2.7
111.00865	2.2
112.98811	18.1
113.02469	2.4
114.05621	4.8
116.71140	1.6
119.03530	2.0
119.05004	2.2
121.02971	4.3
123.04533	1.7
125.02435	1.6
130.99892	10.7
133.01689	2.6
134.02498	57.6
134.03743	58.0
135.00935	2.4
137.02466	4.0
149.04558	1.6
149.04793	2.0
149.06088	22.2
150.01970	9.1
151.00432	2.7
151.02863	1.8
151.04007	1.8
152.01176	6.4
156.06683	2.7
160.03937	2.0
163.04018	3.6
165.04341	17.5
167.03503	5.8
168.03951	3.6
178.02740	22.5
193.05077	100.0
226.02834	3.4
226.05084	4.5
248.09200	2.0
255.24225	1.7
265.00931	1.7
268.02444	3.6
269.03424	8.0
270.04089	53.7
271.02292	2.6
300.02655	4.8
300.05554	2.4
301.03101	8.2
301.06079	6.0
302.03763	5.7
302.06717	14.6
314.32574	1.7
418.73172	1.7
432.09268	15.8
463.10950	2.7
464.12350	31.7
494.16843	21.0
594.14679	3.9
625.27075	2.2
626.17273	55.4
626.27454	5.6
627.15863	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	626.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33416	0.5
57.03447	0.5
59.01380	9.7
60.01715	0.4
60.59415	0.4
61.98830	1.3
69.18159	2.9
71.01392	3.6
73.02944	0.9
78.74364	0.4
85.02954	1.1
87.00886	7.2
88.98824	0.6
89.02435	3.0
93.77731	0.5
95.94918	0.4
98.22633	0.7
99.00888	0.9
101.02448	1.6
103.00364	0.9
107.06736	0.5
108.02193	0.7
109.02958	0.5
111.00876	1.1
112.98820	1.5
113.02461	0.8
114.05620	1.6
119.03536	1.0
119.05021	1.6
121.02982	1.0
129.31435	0.5
130.99855	0.6
133.02968	1.4
134.03751	43.8
135.03067	0.6
135.04042	1.0
137.02467	2.9
139.04001	0.8
145.02971	1.4
149.04826	0.9
149.06097	12.6
150.03188	0.5
151.00417	0.9
153.02052	0.4
156.06679	1.1
163.04010	1.4
174.35500	0.5
178.02730	26.3
178.99812	0.5
179.03470	0.7
179.05573	0.6
191.05641	0.6
193.05070	100.0
194.05435	1.6
199.27640	0.6
220.78455	0.5
255.03011	0.8
256.03329	1.0
270.04022	0.7
271.02524	1.1
272.02634	2.1
300.02731	2.3
301.03226	4.3
302.03946	1.0
332.07806	0.8
464.16058	0.6
490.12936	0.5
494.16754	19.1
495.17020	1.2
625.26831	0.7
626.14673	6.0
626.27283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16408	1.4
58.18428	1.4
59.01385	25.6
60.07193	1.5
60.99289	2.5
69.35091	8.4
71.01402	11.7
72.88890	1.5
74.10323	1.4
75.00877	3.3
85.02939	2.7
87.00870	2.6
88.98808	15.5
89.02441	13.3
101.02457	7.6
113.02431	5.0
119.01417	1.7
119.03505	4.3
121.02979	3.8
123.04530	7.0
134.02477	2.9
134.03754	2.8
135.04544	14.8
139.04022	4.5
147.00873	3.2
148.01685	3.0
149.02458	18.6
150.03223	8.1
151.04008	19.9
160.04065	4.4
163.04010	2.5
164.04781	5.8
175.00397	6.6
190.02737	30.4
193.05150	4.2
194.05296	2.6
205.03230	3.1
205.05070	46.2
206.05431	1.6
223.06119	4.2
269.91904	1.6
305.46552	1.5
313.09317	9.4
315.10883	64.1
315.14517	3.8
414.12149	1.9
429.14041	100.0
430.14478	3.2
627.17920	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	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	29.0
60.99313	10.6
69.51869	2.7
71.01388	14.0
73.02973	1.1
85.02956	2.9
87.00876	4.0
87.57627	0.7
88.00384	0.9
88.01223	0.8
88.98815	65.3
89.02454	27.2
93.03455	4.8
93.34865	0.8
98.21906	2.0
101.02450	10.1
105.16603	0.8
107.22480	0.8
111.32690	0.7
113.02448	5.7
115.48466	0.8
119.03519	7.8
119.54414	0.7
121.02974	3.5
123.04537	9.5
134.03813	1.2
135.04543	24.7
139.04045	7.0
148.01668	2.9
149.02458	23.2
150.03236	11.3
151.04022	34.7
160.04030	0.9
165.01939	2.2
170.99815	0.8
175.00212	1.0
179.05739	1.6
180.04298	1.8
190.02766	2.3
193.05214	1.8
195.06580	1.2
205.05125	3.9
206.97459	0.9
225.07680	1.7
313.09296	15.2
315.10889	100.0
316.11172	4.0
337.09167	0.9
429.13956	9.3
465.13983	4.0
491.15637	1.1
495.17017	1.1
627.19330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.2
61.98835	24.0
68.99817	5.3
71.01382	6.4
71.44800	1.3
73.02950	2.5
85.02963	2.8
89.02456	6.5
96.96043	1.6
99.00896	1.3
101.02451	5.6
108.02178	7.8
109.02948	3.9
111.00873	1.6
113.02448	1.7
119.03477	1.3
119.05047	2.0
122.03780	2.1
123.00899	5.8
123.04528	9.9
125.02372	1.5
132.02191	1.3
134.03697	2.0
135.04535	1.9
136.99179	1.6
138.03235	7.4
149.04594	2.4
149.68744	1.2
150.03256	8.3
160.01669	1.5
161.02469	8.6
162.03252	11.6
163.04021	10.8
164.04868	2.3
177.02045	1.5
177.05582	29.2
178.02724	15.6
179.03532	5.0
181.05096	5.3
193.05080	36.6
194.05840	9.8
196.07469	4.7
205.05122	1.5
211.09784	4.9
289.29779	1.2
405.15558	100.0
406.15833	4.9
424.64017	1.3
429.20981	1.3
483.24234	2.3
627.33240	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	627.2694
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
59.01121	0.9
59.01384	12.7
61.98833	16.7
63.96251	1.4
69.03465	0.8
71.01379	8.9
73.02939	2.9
78.98589	6.0
79.95736	11.1
80.96519	60.9
81.03474	0.8
83.01345	0.8
85.02943	4.0
87.00865	3.1
89.02446	2.3
94.98093	15.5
95.01363	0.8
96.96004	1.7
97.02928	1.1
99.00840	1.3
101.02438	4.5
106.98092	2.4
111.00886	1.1
113.02446	1.9
116.32117	0.6
116.92873	2.7
121.02995	0.7
122.97567	2.7
125.02448	3.0
126.83904	0.7
131.05064	0.7
134.97569	4.7
135.08165	0.8
136.99156	1.7
137.70525	0.8
143.03499	0.7
146.97546	0.8
147.17400	0.7
148.99179	5.3
150.03123	0.9
152.98651	4.6
161.04543	0.9
164.98627	12.1
171.06789	0.7
183.87987	0.7
185.11781	0.8
206.99706	2.6
209.11815	2.4
225.00746	18.9
276.59290	0.8
299.04443	3.3
303.44867	0.7
355.21338	0.8
397.67230	0.7
525.27130	1.1
543.40076	0.9
543.55768	0.7
588.96063	0.8
627.26935	100.0
628.27240	5.1
651.67877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
58.00574	1.3
59.01385	100.0
69.69798	3.4
71.01389	44.6
72.99294	1.1
73.02934	1.5
83.01374	1.8
84.13718	0.9
85.02965	7.1
87.00871	4.5
89.02453	61.0
95.01376	2.1
96.96027	1.2
101.02451	20.3
107.84212	1.0
113.02468	18.7
116.11802	0.9
119.03513	27.5
131.03525	2.8
143.03519	6.2
149.04549	2.5
149.09731	2.1
161.04553	8.9
161.08212	1.1
165.01944	4.2
179.05637	43.3
180.04288	3.5
180.05940	1.4
188.75137	1.1
193.05113	1.2
195.06599	2.9
195.76871	1.1
205.05048	1.6
210.08182	1.0
225.07765	2.4
337.08966	1.0
405.21121	5.2
429.14008	2.5
491.15552	3.5
563.05328	1.1
567.18030	0.7
567.26575	23.0
568.26727	1.7
627.19269	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	627.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47677	3.4
57.03450	3.8
59.01387	73.3
62.24529	2.9
66.69965	3.3
69.15970	7.6
69.16375	14.3
71.01390	48.8
73.02953	9.2
75.00877	4.1
79.10091	3.5
83.01404	3.9
83.69828	3.3
85.02985	10.3
87.00908	10.2
88.98793	6.1
89.02458	61.6
96.04533	4.0
96.96029	11.2
96.96922	3.6
98.21863	5.6
101.02442	36.2
109.02967	4.9
113.02488	20.6
119.03539	18.1
121.02979	5.8
125.02460	10.7
131.03563	5.5
135.04483	4.3
143.03557	4.2
149.04549	5.7
149.09735	10.6
151.00394	8.1
151.04048	5.2
153.09261	6.8
161.04616	10.1
165.01976	8.0
167.10793	12.2
179.05652	39.3
193.05074	5.8
195.06728	5.1
213.20589	3.5
221.06706	15.2
256.03311	4.1
271.02533	37.5
272.02841	26.3
273.03079	29.7
299.01953	60.9
300.02435	37.7
301.02682	67.7
302.03790	22.0
303.04150	21.3
315.10837	8.4
405.21530	8.8
429.13815	8.0
440.69138	4.0
462.08005	5.6
463.08475	18.2
464.08801	32.3
465.09445	29.7
567.26563	79.1
568.27240	5.3
627.14728	100.0
627.24585	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	627.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20278	19.6
59.01384	100.0
60.78382	20.0
71.42511	24.5
141.01694	47.6
178.25946	20.7
276.57455	21.2
340.57025	20.1
492.95404	22.5
555.27063	21.6
568.30713	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	627.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15665	14.4
59.01372	96.2
61.98829	55.3
66.57458	14.0
70.39283	13.5
71.00206	19.8
71.01386	26.8
73.02949	20.6
80.91679	59.6
80.96519	36.8
82.96091	21.9
101.02469	27.9
121.02962	18.8
136.05331	13.9
151.07591	26.4
161.87955	16.6
209.11858	30.5
253.09102	15.8
309.20425	20.6
316.91617	18.9
337.22061	15.7
527.99878	15.6
627.26379	74.4
627.38080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03455	58.5
59.01386	100.0
61.98835	22.9
65.62464	1.3
71.01391	25.6
73.02962	10.7
73.66759	1.2
78.95918	2.0
80.96527	2.9
81.03467	2.4
83.01401	3.8
83.05062	1.6
85.02971	11.8
87.00899	2.5
88.49117	1.2
89.02472	5.7
95.01397	2.9
99.00895	3.6
99.04531	81.7
101.02460	32.9
101.12284	1.3
102.62650	1.3
111.00912	1.3
113.02448	9.6
119.03467	1.7
121.02956	6.4
125.02457	38.8
125.03324	2.6
143.03522	4.4
145.02975	2.5
151.88158	1.4
159.03021	2.0
161.04578	10.5
165.01913	1.7
171.10309	1.9
179.29660	1.4
181.08745	5.2
203.24110	1.3
209.11864	13.7
225.07382	1.3
227.13011	1.5
271.35391	1.4
289.21719	1.6
465.28540	6.1
483.29764	22.7
484.30139	2.0
525.30920	10.9
583.35101	3.3
609.37897	1.4
618.23486	1.5
627.34192	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08053	0.2
56.98042	0.4
59.01384	3.9
61.98834	6.6
63.02398	0.4
69.03471	0.6
69.41600	0.7
69.42006	0.6
70.29125	0.3
71.01389	1.2
73.02954	0.4
78.95898	0.3
83.01382	0.3
85.02985	0.3
86.19256	0.2
87.00874	0.4
88.04094	0.3
89.02467	0.8
94.99612	0.3
96.96021	0.3
101.02450	0.7
109.98354	0.8
110.99118	2.9
111.99915	0.3
121.02959	0.6
122.02507	0.4
122.99107	0.6
125.00643	0.4
131.20013	0.2
136.04059	0.3
137.97797	1.9
138.00279	0.3
138.98613	5.9
139.99399	3.1
141.00218	0.7
148.00359	1.4
149.01180	0.5
152.03572	0.4
153.00180	0.7
161.04578	0.3
162.03255	0.3
163.98090	0.4
164.03560	0.9
164.98889	1.6
165.00662	0.8
165.97299	0.5
165.99727	0.7
166.98091	22.1
167.98459	0.5
175.04018	0.2
180.03030	3.6
180.99672	0.7
181.03775	1.6
182.79727	0.2
183.01175	1.2
188.62263	0.2
195.05397	1.5
196.06134	3.3
200.03555	0.7
207.01837	0.3
208.99168	0.3
213.02342	0.3
222.04037	0.3
227.02315	0.7
230.99954	0.4
239.02287	0.5
242.04689	0.5
243.00002	1.1
244.00775	0.8
246.02440	0.4
247.00801	0.5
254.01031	0.7
255.01801	0.7
256.02539	0.6
258.02176	0.5
259.00647	1.6
259.97845	0.5
260.00470	0.7
270.04083	0.6
270.99448	1.7
272.00272	0.6
274.01776	0.7
275.00171	1.4
282.00436	1.6
283.01251	1.0
286.01743	3.2
286.99011	2.4
287.02203	0.5
287.99701	3.5
291.02243	0.3
296.01993	0.8
301.04150	0.8
302.01276	2.5
303.02054	3.4
303.05344	0.4
304.04861	0.4
314.03195	0.8
314.98483	2.7
315.03842	1.2
318.04465	0.9
319.05301	0.4
329.03195	0.3
330.00778	11.7
331.01495	2.5
334.03983	2.2
344.02225	0.5
345.03131	8.2
345.07416	0.5
346.03836	6.3
347.00867	0.5
362.03442	4.7
363.04007	0.9
376.05182	0.5
377.05750	52.6
378.06409	8.8
466.08051	0.5
493.07028	0.8
508.09219	3.7
525.09601	0.3
540.11835	100.0
541.12128	4.9
627.34918	0.3
628.13464	8.8
628.28967	0.5
628.38403	0.3
629.13806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14811	0.9
58.19367	1.0
59.01386	100.0
61.98837	24.9
71.01379	3.3
80.96508	2.6
85.02956	1.5
88.98820	0.8
89.02459	1.8
96.96008	2.7
98.22638	1.7
99.00902	1.0
100.52747	0.9
101.02474	2.2
109.98385	1.0
110.99093	1.1
119.03468	1.0
121.02966	16.5
137.02383	1.2
138.98621	3.3
139.99413	1.5
149.01135	1.0
166.98109	11.9
175.26578	0.9
180.03015	2.1
196.06183	2.2
222.52884	0.8
259.00415	1.2
270.99542	1.0
273.41946	0.9
286.01752	1.2
286.98874	1.9
287.99744	1.7
301.04260	0.9
302.01572	1.2
303.02029	2.7
327.41965	0.9
330.00760	5.8
331.01627	1.6
334.03696	1.9
345.02835	4.2
346.03833	3.0
362.03458	2.3
374.39224	1.1
377.05771	29.5
378.06366	6.1
427.14734	1.0
508.09164	2.1
540.11865	62.3
541.11951	6.9
628.13428	5.9
628.28271	1.7
629.29053	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	629.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77692	0.9
58.90249	0.8
59.01386	36.8
69.46980	4.4
71.01388	16.7
77.05846	0.9
83.01387	1.3
83.71648	0.9
85.02966	3.8
87.00887	2.2
87.98658	0.8
89.02457	18.8
89.03008	1.1
95.01402	2.0
101.02441	13.2
105.03501	1.2
107.05050	1.3
109.02947	1.9
112.89188	1.1
113.02477	6.8
119.03546	8.5
121.38573	0.9
122.03716	1.6
123.04552	21.6
131.45712	1.0
133.02960	1.8
135.04541	33.9
149.02458	1.8
150.03241	28.0
151.04028	88.8
152.04372	2.3
153.05603	2.3
161.04608	1.5
179.05594	1.3
181.43111	0.9
191.05595	2.9
193.05083	1.5
260.99911	1.0
299.90134	1.0
313.09314	42.9
314.09821	1.1
315.10886	100.0
316.11221	2.1
327.08786	1.1
500.27380	1.0
542.01031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98830	1.3
68.38403	0.8
71.01388	1.4
88.98831	5.1
89.02443	1.9
91.51796	0.8
93.03486	1.4
93.91862	0.7
98.21834	1.1
99.67637	0.8
107.85608	0.7
111.00878	1.0
118.96630	1.1
121.02982	2.4
122.03769	3.0
125.06116	0.7
132.98267	0.8
133.02995	0.9
137.06114	0.9
143.07152	1.5
147.04572	0.9
149.02458	30.1
150.03241	34.7
156.98286	1.0
163.04115	1.0
164.04805	12.4
165.05582	49.2
166.05968	1.1
180.04355	2.9
181.05025	3.6
193.08736	2.1
195.06636	46.0
196.07443	3.4
197.08151	1.0
211.09799	5.2
213.05519	0.7
217.00394	3.1
277.02295	1.2
293.04749	2.6
344.12674	11.1
351.54916	0.7
359.15027	76.6
360.15567	3.9
389.16113	2.7
407.17166	50.7
408.17770	3.0
524.12854	1.0
593.15515	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	71.7
59.82241	0.8
60.01705	1.0
60.81305	0.7
61.98826	2.6
69.28062	2.3
69.28481	1.6
71.01396	6.4
73.02950	2.3
73.14644	0.9
79.27590	0.8
80.50127	0.8
83.01366	1.3
85.02986	4.2
89.02459	2.7
93.89659	0.8
95.01377	1.0
99.00891	1.1
101.02465	4.1
111.00888	2.8
113.02440	2.0
119.27286	0.7
121.02977	2.7
122.03775	4.7
125.02455	0.9
134.03731	1.3
135.04564	1.1
149.02451	9.6
150.03241	52.5
161.04582	1.5
163.04002	1.2
164.04828	2.1
165.05585	67.2
166.05919	1.4
180.04298	4.4
181.05095	2.1
191.05624	0.8
193.05135	1.8
195.06642	100.0
196.07216	3.0
210.07054	0.8
211.09752	3.1
289.46530	0.8
317.97171	0.8
335.20456	0.8
344.12787	1.1
359.15015	4.7
407.17169	25.9
408.17108	1.7
473.16547	1.0
497.26016	4.8
629.21576	0.8
629.30359	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	629.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64714	0.5
57.03467	0.6
59.01382	100.0
60.01716	0.7
61.98838	9.4
63.66333	0.5
71.01385	12.8
73.02962	5.6
75.00873	0.7
78.98589	1.0
79.95740	2.7
80.96522	12.4
83.01401	1.5
85.02962	5.1
87.00874	1.8
89.02445	5.8
94.98100	2.5
95.01383	0.9
96.96013	2.6
97.02954	0.9
99.00884	2.7
99.04526	0.6
101.02441	9.1
106.98094	0.6
111.00883	0.8
113.02449	4.9
116.92930	0.5
119.03535	1.1
121.02966	1.1
125.02483	1.6
130.51283	0.5
134.03668	0.7
134.97624	0.9
136.99138	0.7
143.03526	1.2
143.04608	1.5
148.99117	0.8
149.04567	0.8
149.53410	0.5
152.98659	0.8
159.03020	0.6
161.04564	2.7
164.98586	2.3
165.05547	0.5
191.05585	1.0
203.05602	0.9
206.99638	0.7
209.11819	0.6
225.00751	3.6
233.06332	0.5
269.00793	0.6
270.01303	0.8
306.07669	2.9
317.21063	1.0
335.22281	1.8
363.21848	0.9
364.69135	0.6
365.23126	1.3
377.23264	0.8
432.23645	0.5
461.25732	0.5
467.07932	1.1
497.27042	0.9
509.27664	11.6
510.27780	0.6
527.28650	13.5
569.29694	8.9
570.29926	0.8
629.29205	23.6
630.29584	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	629.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01311	0.6
55.01890	1.5
57.03461	0.9
59.01386	100.0
61.98834	5.0
69.07459	4.5
71.01387	15.4
72.99303	0.8
73.02956	7.3
79.95776	1.1
80.96524	1.1
82.95422	0.6
83.01391	3.5
85.02961	8.5
85.03413	0.9
87.00906	1.1
88.98835	1.0
89.02486	1.8
93.96297	0.5
95.01434	1.1
96.96025	13.3
97.02979	1.4
99.00913	2.3
101.02458	14.1
111.00897	0.9
113.02441	5.5
121.03009	0.8
125.02496	1.9
128.03654	0.6
143.03522	2.0
143.04626	1.6
144.39742	0.6
145.03065	0.9
161.04581	3.8
191.05698	1.3
207.15216	0.7
255.03134	2.4
272.08844	1.1
284.03421	2.2
285.04001	1.9
306.07672	3.5
340.99863	0.8
363.21796	2.3
365.23535	2.3
383.00809	4.1
407.24783	1.0
414.26059	0.7
461.25494	0.9
501.30792	1.1
509.27554	17.1
509.34705	1.1
509.82391	0.7
510.28201	1.3
527.05359	0.8
527.28674	36.6
528.29462	1.7
531.11761	2.0
554.49823	0.7
569.29688	22.9
570.30188	1.9
629.19470	0.9
629.29645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16409	2.4
59.01078	5.1
59.01383	100.0
61.98828	10.8
69.62376	9.1
71.01387	38.1
73.02941	11.4
83.01383	3.1
85.02952	24.9
89.02449	41.8
96.96004	3.0
98.21934	4.4
99.00896	11.3
101.02451	28.1
101.41898	2.8
111.00925	26.5
112.56810	2.5
113.02464	9.2
119.03480	8.6
125.02517	2.4
128.03522	3.9
128.90164	13.4
129.01964	6.9
131.03529	6.6
143.03508	4.5
149.04570	33.7
151.07671	9.1
161.04590	3.4
180.03070	4.5
191.05634	9.7
209.11745	2.6
251.07692	4.9
253.09142	3.7
263.16461	2.9
281.17560	7.0
407.05569	2.9
437.25378	4.8
451.04532	4.1
569.29773	66.8
570.30402	3.7
629.13562	23.4
629.27985	10.9
629.38922	41.1
630.39209	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	630.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01727	1.0
61.98837	5.2
65.23879	0.4
69.44722	2.3
71.01378	1.4
73.28030	0.5
74.29309	0.5
79.53395	0.4
80.57198	0.4
82.03013	1.8
85.02979	0.8
89.02439	1.3
90.76981	0.5
93.03474	0.7
96.96086	0.5
97.02982	0.5
98.21819	0.6
100.04053	1.1
121.02951	4.5
124.01682	0.9
147.24980	0.5
161.04591	0.6
164.10852	0.7
165.01971	0.6
179.03552	1.2
180.04211	1.1
181.04575	0.5
191.05608	0.7
195.06606	1.5
225.07695	0.8
226.08070	0.7
248.07079	0.5
248.09172	2.2
330.10724	0.9
345.13049	1.4
359.14908	2.2
360.15451	4.7
362.03400	0.5
390.89230	0.5
407.17334	1.0
408.17606	1.9
418.18756	0.7
440.76419	0.5
478.20712	0.8
510.23923	0.8
542.10272	1.8
630.25409	1.0
630.34601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28376	0.6
59.01389	12.6
61.98827	1.3
67.77979	0.8
71.01381	0.8
71.41882	0.9
72.04555	4.5
82.02992	71.1
82.55994	0.7
83.25621	0.7
89.96719	0.7
91.05537	5.1
94.50687	0.6
96.96027	2.0
98.02484	7.7
100.04060	41.5
101.02381	0.7
114.03992	0.7
114.23305	0.6
176.10811	1.1
191.05615	0.9
202.08752	14.8
208.00079	0.6
220.09967	0.7
243.05270	0.6
248.09311	100.0
249.09584	2.7
381.26910	0.7
642.54199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98833	1.8
89.02457	0.3
98.22624	0.8
111.00907	0.7
117.57158	0.4
153.94720	0.3
205.22356	0.4
213.53090	0.3
406.40253	0.4
630.39349	0.5
631.30682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85693	0.4
57.03434	0.5
59.01385	100.0
59.70397	0.4
60.01720	1.3
61.98835	9.3
70.89951	0.5
71.01388	2.5
72.60439	0.4
72.85062	0.3
72.99352	0.5
73.02958	1.1
80.86441	0.3
83.01397	0.8
85.02969	0.7
87.00917	0.5
88.04040	0.4
88.98797	0.4
89.02425	2.0
90.79516	0.3
93.03492	0.5
101.02451	2.8
110.01781	0.4
111.00937	0.5
113.02473	1.2
119.03571	0.6
121.02971	6.1
128.70987	0.4
129.20256	0.4
137.02475	0.5
149.04655	0.5
150.03252	1.3
161.04552	1.0
165.05510	0.7
311.42929	0.4
323.50577	0.4
359.12149	0.5
433.15244	0.5
480.26404	0.5
510.28049	0.5
528.29199	1.3
570.29907	0.6
630.22266	0.6
630.31952	0.8
630.36938	0.7
631.62201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.2
61.98817	13.7
65.99851	4.5
69.58660	11.9
70.06628	2.5
85.02955	2.7
92.10545	2.7
98.21837	5.0
118.03008	23.8
149.01161	4.7
182.02521	5.2
183.00841	2.9
185.02512	4.1
186.01808	4.1
187.59262	3.1
196.04033	29.3
200.03564	3.1
210.01973	12.5
211.00386	6.4
212.03580	5.4
226.01450	17.5
228.03055	17.9
240.02950	4.0
247.04037	5.1
254.00955	40.9
261.05563	4.6
268.02625	9.2
275.03445	6.4
282.00470	7.2
287.03653	3.6
289.04901	3.5
298.03494	4.4
300.05225	17.1
302.04559	3.6
303.02997	24.7
304.06299	7.2
305.04645	4.8
314.04529	4.9
330.03992	9.1
331.02499	36.1
332.05795	6.6
346.03558	7.4
348.05035	5.4
358.03491	13.1
359.02109	4.0
373.04758	5.2
374.02896	9.7
376.04672	10.6
402.02567	100.0
403.02881	4.3
408.07254	25.8
433.99292	4.8
434.05209	89.2
523.07721	3.5
555.10651	15.7
599.09418	46.0
605.62415	3.6
631.12042	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12635	2.6
59.01389	26.8
61.98811	2.6
66.61233	2.7
69.09611	20.2
73.02950	7.0
75.00880	100.0
79.47631	2.3
98.22604	8.0
99.00887	12.4
99.92580	10.6
116.03503	7.6
116.92870	59.6
116.97259	7.8
117.01205	4.0
117.01956	51.5
117.05593	6.5
123.67886	2.8
240.25864	2.8
249.34325	3.0
523.29218	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	631.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76863	0.5
59.01387	5.4
71.01387	1.7
73.51109	0.6
88.98834	0.5
89.02460	1.5
93.03442	0.6
96.96009	1.3
102.41788	0.5
103.00374	1.7
113.02435	1.1
119.03553	0.9
121.02956	3.9
129.62527	0.5
134.03738	0.6
135.04538	100.0
136.04840	1.1
163.04030	4.1
166.56175	0.5
167.03450	0.6
186.95363	0.5
191.05615	1.2
195.06575	0.7
205.09567	0.5
225.04065	3.7
225.07599	0.6
271.02509	2.2
299.01950	4.7
300.02628	0.8
301.03561	1.7
373.99130	0.6
385.87311	0.7
405.21454	1.4
405.31274	0.6
462.08087	1.0
595.12988	5.1
596.12872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.3
61.98824	1.5
63.65585	0.7
69.85352	1.3
69.85729	1.0
71.01389	10.2
85.02954	1.9
85.06592	15.6
87.00855	0.8
89.02451	10.7
93.03470	1.3
96.96007	2.1
101.02451	1.7
113.02458	1.0
113.06097	1.7
115.08742	0.8
119.03483	0.8
119.05044	2.1
131.07149	84.2
132.07487	1.6
134.03722	1.0
135.04515	1.7
137.14584	0.7
149.04611	1.1
163.04056	1.3
166.90799	0.6
184.32047	0.5
191.05585	2.8
192.07959	0.7
193.05083	1.6
195.06627	1.1
263.11368	100.0
264.11737	1.5
289.12946	0.7
305.16205	1.5
499.21832	0.8
571.16040	0.6
576.52606	0.8
631.18958	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	631.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44600	14.2
50.67824	12.2
51.81824	13.9
58.95880	11.0
59.01379	100.0
61.98824	33.6
62.64282	12.7
71.01414	24.3
85.02988	13.0
92.03001	13.2
96.95994	16.6
113.02456	15.6
137.02489	17.1
145.02966	14.5
160.01653	18.4
165.01965	53.6
166.02867	15.0
179.03481	16.6
180.04341	33.7
191.05666	14.9
195.06665	51.9
225.07704	33.1
304.68140	13.7
357.13403	25.3
433.99820	13.2
565.20612	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	87.2
61.98840	100.0
67.59573	11.6
69.39312	58.3
71.01393	43.6
73.53165	11.9
81.52237	12.2
85.02937	18.5
89.02444	33.8
89.55600	10.4
96.96023	25.8
98.22633	26.6
101.02441	32.2
111.00885	41.1
119.03529	13.7
121.85644	11.0
161.02402	21.0
193.05028	12.7
234.29840	15.8
237.09650	13.4
554.39020	14.8
566.06531	13.5
595.29633	29.0
632.33044	20.1
649.29144	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	631.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83004	1.0
59.01386	100.0
61.98836	3.3
66.29529	0.9
68.64186	0.8
70.53239	1.6
70.53573	1.1
73.23444	1.0
75.00883	3.3
84.36860	1.1
103.00382	4.9
103.01508	81.2
103.04121	1.2
122.09961	1.1
171.10391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.272
Annotation	Beiwutine
Peak:m/z	Relative Intensity
53.48447	0.7
56.68215	0.7
58.11059	0.6
59.01387	17.7
61.98837	7.8
69.13802	3.8
71.01392	11.3
73.02962	0.8
85.02967	1.4
87.00842	0.8
89.02441	1.5
92.02684	3.4
93.03471	16.2
95.01402	1.1
98.40837	0.7
101.02441	1.1
108.02168	2.9
108.08073	0.7
121.02974	30.5
122.58784	0.6
125.02440	0.8
131.08638	0.7
135.04517	1.2
136.01685	3.4
136.07675	0.9
137.02461	20.3
149.02440	1.2
160.05405	0.7
164.04858	1.3
180.06680	1.2
193.05066	1.2
196.33788	0.8
237.83435	0.7
329.87723	0.7
367.95081	0.9
401.18567	1.3
402.19141	1.0
428.17056	9.1
485.18369	7.6
494.21704	5.6
495.22839	1.7
500.19250	2.0
501.13766	0.8
510.20383	0.9
510.25110	2.7
511.19922	4.6
522.21307	1.1
527.21411	1.2
528.22388	1.6
546.24164	0.9
554.24243	4.9
572.25159	22.0
573.25531	1.2
590.26056	5.2
632.27094	100.0
633.27356	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	632.9832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27196	1.3
53.95958	1.4
55.89406	1.4
59.01384	97.3
61.98829	5.6
69.17863	7.6
115.02518	3.7
117.00450	4.7
119.64313	1.4
122.08208	1.4
132.98199	9.9
159.01511	38.2
174.99261	66.1
201.02596	5.1
202.02696	1.4
202.98689	1.3
203.02319	2.4
204.00032	1.5
210.61971	1.2
217.00314	100.0
218.00685	1.9
232.98335	2.1
248.96028	5.4
256.97940	1.3
274.99527	6.4
288.54382	1.5
290.97125	13.9
298.99460	2.1
317.00430	73.9
318.00592	2.9
322.79529	1.3
332.98181	58.4
346.99243	1.9
347.03400	1.7
359.01712	2.0
366.15387	1.4
374.99246	25.0
375.99893	1.5
390.97260	4.6
432.28061	1.5
432.99103	1.4
446.88165	1.3
474.99323	30.0
475.99695	2.7
490.97107	22.1
548.96393	2.1
570.97980	3.0
572.96161	24.9
588.99872	2.4
632.98151	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	633.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.7
64.01953	0.6
65.00316	1.5
65.99848	1.8
68.35045	0.7
69.51998	2.4
71.01376	0.7
84.60745	0.6
94.02986	0.9
103.88757	0.7
108.00919	0.7
111.00889	1.1
117.03401	0.8
118.03001	57.0
119.03369	0.8
120.00903	1.1
122.02488	8.4
123.00877	1.0
123.03280	19.1
124.04053	0.9
125.02471	1.1
131.58163	0.7
133.01669	0.9
134.02496	3.0
136.00433	4.3
138.01947	0.9
141.03459	2.2
144.04593	0.7
145.02896	1.3
148.00378	1.9
149.01208	5.7
150.01888	1.2
153.01859	0.8
157.02972	1.1
163.99928	3.2
164.03516	1.5
168.03079	0.7
169.02925	2.4
170.06097	0.9
174.18849	0.8
180.03024	30.7
180.04614	1.6
181.03651	1.0
183.03256	0.9
184.04037	1.5
185.02443	5.4
186.03241	1.8
187.04080	0.7
196.02327	0.9
196.03957	4.2
197.02434	2.8
197.04613	0.9
198.03180	1.7
198.05722	1.2
199.02661	0.8
212.03543	4.9
213.01993	11.5
213.04247	2.1
214.02777	3.2
215.03491	1.4
218.06143	0.9
224.03520	1.7
225.04208	4.1
226.02734	3.2
226.05081	3.0
228.02979	1.2
232.07657	0.7
239.02122	1.6
240.00697	1.6
240.03023	13.8
241.01414	22.5
241.03789	8.5
242.02023	2.0
242.04555	2.1
243.05363	14.2
250.05086	0.9
254.04541	2.5
255.02771	0.7
258.05539	0.9
258.07755	16.9
260.07184	2.2
262.04904	0.9
269.03308	9.4
270.03973	9.0
284.01987	2.3
284.05615	2.0
285.02859	3.0
286.05099	1.2
287.05823	1.5
288.06647	1.7
291.05328	1.2
292.06161	1.2
298.03610	1.4
300.05209	9.7
301.06110	4.0
302.07019	1.3
304.06161	0.9
315.05399	2.0
316.05630	1.1
318.04102	1.1
321.04218	1.6
330.03854	0.9
331.04886	1.7
332.05475	1.1
333.06302	1.8
342.04092	1.0
343.04504	0.8
347.04468	1.4
348.08707	1.9
359.04153	1.8
360.05051	2.3
361.03525	3.1
364.04797	3.7
374.06671	2.6
379.06729	2.2
392.07477	1.7
403.03262	6.1
404.04074	12.2
418.05658	6.8
459.09509	0.8
468.04733	0.7
483.08282	1.0
484.06790	1.9
498.10678	1.9
511.05472	0.7
513.05853	1.1
513.13043	14.9
514.12372	1.3
525.09387	1.5
542.09595	6.1
557.12024	100.0
558.12323	8.7
569.08429	16.2
601.11029	58.2
602.11127	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	633.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69320	0.3
59.01387	4.7
61.98834	0.5
65.00346	0.6
78.07009	0.4
85.02964	0.4
88.97163	0.3
93.03460	0.7
107.01427	0.5
117.03487	1.1
125.47354	0.3
132.02275	0.4
151.00391	1.8
155.05002	0.6
159.04546	0.9
160.01688	0.9
165.05562	0.5
171.04527	0.4
175.04015	1.6
181.01436	0.3
183.04510	3.9
185.02455	0.4
193.05118	0.9
211.04021	2.4
227.03505	2.7
239.03429	0.6
255.03006	47.4
256.03275	2.2
283.02493	100.0
284.02969	4.8
285.04099	10.4
337.09351	0.6
398.20618	0.4
399.07117	0.9
429.08377	0.4
457.07843	2.1
458.08569	40.3
459.09235	10.6
573.12280	1.2
633.14630	29.4
634.14667	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	633.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
60.92791	0.3
61.98835	0.7
65.00343	0.5
67.37818	0.3
71.01391	0.8
80.31125	0.3
81.05313	0.3
85.88389	0.3
93.03465	0.5
101.02415	0.4
107.01426	0.8
111.00910	0.4
117.03479	1.2
126.90423	0.4
141.03488	0.5
150.53978	0.4
151.00371	1.9
155.05095	0.6
159.04533	0.8
160.01686	0.9
165.05588	0.8
175.04002	1.1
182.03854	0.4
183.04512	3.9
185.02556	0.5
187.03893	0.4
193.05037	0.6
211.03996	2.2
227.03581	2.9
255.03008	44.4
256.03381	1.1
257.04675	0.4
282.01709	0.4
283.02496	100.0
284.02936	4.5
285.04080	11.3
286.04495	0.4
394.67542	0.4
399.07178	0.7
457.07651	2.1
458.08566	44.9
459.09271	10.1
460.09787	0.5
509.27783	0.3
562.50067	0.4
573.12714	1.5
633.14648	31.8
633.67212	0.4
634.15094	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54607	0.3
59.01387	4.9
61.98833	1.5
63.02412	0.4
65.00319	0.6
68.84660	0.3
69.35329	1.5
71.01382	1.4
74.77531	0.3
82.95412	0.5
87.52501	0.3
88.95165	0.3
89.02448	0.6
89.48843	0.3
93.03446	0.5
96.96027	0.5
101.02473	0.6
107.01428	0.7
116.92854	0.3
117.03471	1.6
121.02950	1.0
128.03539	0.4
139.04039	0.8
143.04622	0.5
151.00398	1.9
155.05066	0.5
159.04532	1.2
167.05063	0.6
169.06633	0.5
171.04530	0.8
173.02510	0.4
173.06047	0.3
182.03722	0.4
183.04524	5.6
185.02440	0.7
185.06067	0.5
187.03957	0.4
189.05560	0.7
199.04045	0.9
209.04399	0.3
211.04015	4.0
213.05614	0.7
226.02600	0.5
227.03513	6.6
229.05052	0.7
239.03513	0.5
241.42584	0.3
255.03008	55.3
256.03528	2.2
257.04510	0.5
283.02499	100.0
284.03067	7.1
285.04068	28.0
285.07382	0.6
286.01569	0.4
286.04465	1.2
306.07654	1.4
393.04263	0.4
416.06943	0.4
417.08325	2.3
441.08243	0.7
459.09036	0.4
460.73486	0.3
500.09637	31.5
501.10413	36.8
502.10699	2.7
597.34906	0.9
633.14624	37.3
634.15198	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	633.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01384	13.7
61.98829	1.7
63.02427	0.4
65.00362	0.4
71.01391	1.3
71.37775	0.4
83.01408	0.3
89.02455	1.3
101.02471	1.0
107.01393	0.6
113.02472	0.6
117.03504	0.8
121.02966	5.1
122.03323	0.7
151.00389	1.4
155.05045	0.5
159.04547	0.6
167.33115	0.3
173.06107	0.3
183.04543	3.1
185.02438	0.3
185.06120	0.3
187.03865	0.3
187.11299	0.5
211.03976	2.1
227.03525	2.7
244.52440	0.3
255.03000	37.6
256.03528	1.7
283.02499	100.0
284.02982	5.1
285.04065	13.9
285.07281	0.3
286.04477	0.7
416.07526	24.2
417.08102	2.5
453.21252	1.3
501.10519	4.4
633.14673	36.3
634.15149	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	633.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.3
61.98833	1.0
65.00343	0.3
69.31250	1.6
70.71689	0.3
71.01387	1.2
73.02972	0.4
79.89240	0.3
83.07299	0.3
85.02953	0.7
89.02444	0.9
92.93864	0.3
93.03488	0.4
101.02483	0.5
107.01411	0.6
109.02995	0.3
109.12553	0.3
113.02486	0.4
117.03503	0.8
131.03581	0.3
135.00885	0.3
151.00415	1.6
155.05064	0.6
159.04492	0.9
167.05006	0.4
170.59341	0.3
183.04524	3.6
185.02448	0.4
211.03960	2.9
227.03519	3.7
255.03003	47.3
256.03397	1.7
282.01788	0.3
283.02496	100.0
284.03064	7.9
285.04025	6.7
381.06021	0.5
415.06586	1.1
416.07516	43.6
417.08157	3.1
440.01010	0.3
441.08313	0.7
459.09427	1.7
501.10434	6.4
573.12799	1.4
633.14691	30.6
634.14862	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	633.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35394	0.2
53.54359	0.2
59.01385	3.2
61.98815	0.5
63.02412	0.3
65.00338	0.4
69.25205	1.1
71.01411	0.3
72.32426	0.3
89.02444	0.3
93.03463	0.5
107.01387	0.5
117.03471	1.2
128.51192	0.2
150.03288	0.3
151.00342	1.0
155.05032	0.4
159.04570	0.6
165.05499	0.2
169.01476	0.2
171.04503	0.4
181.05115	0.2
182.03693	0.6
183.04539	3.4
185.02446	0.4
187.04060	0.2
195.06651	0.3
199.03986	0.4
211.04028	2.6
211.96446	0.2
227.03552	2.3
233.85349	0.2
239.03418	0.4
255.03017	42.5
256.03448	1.7
282.01831	0.3
283.02509	100.0
284.02921	4.5
285.04083	7.2
297.03998	0.3
346.10019	0.2
409.01486	0.2
415.06824	1.3
416.07523	41.3
417.08099	2.4
441.08261	0.3
458.08606	0.9
459.08884	0.3
501.10541	2.4
531.10980	0.3
573.12830	0.8
591.13300	0.2
633.14655	31.3
634.15045	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	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79642	0.3
52.47063	0.3
57.03425	0.4
59.01118	0.5
59.01387	6.2
61.98835	2.9
62.70201	0.3
64.20625	0.3
73.02943	0.5
75.00826	0.5
83.01385	0.4
85.02975	0.4
89.02457	1.2
95.01414	0.4
96.96015	1.6
99.04494	0.4
101.02445	1.2
107.01399	1.0
111.00847	0.5
113.02478	0.6
116.92834	0.5
119.03516	0.5
132.02205	1.3
135.00891	1.2
136.07610	0.3
137.25189	0.3
138.10176	0.4
139.04007	0.7
148.42101	0.4
151.00359	1.5
161.04567	0.4
163.00385	1.0
164.01157	0.6
171.04495	0.5
171.10255	0.8
178.99867	0.6
183.04533	1.3
185.02405	0.9
187.04022	0.5
199.03954	0.7
200.04771	0.5
211.03969	1.6
213.01952	0.7
225.01956	1.2
227.03506	28.5
228.03993	1.4
229.04944	0.5
231.03009	0.7
239.03436	0.9
241.01424	0.4
242.04669	0.7
255.02998	66.4
256.03607	4.9
257.04529	0.4
268.02475	0.8
269.00937	4.1
283.02518	5.8
284.03275	100.0
285.03967	10.0
286.04214	0.4
312.29022	0.3
314.82809	0.4
375.59119	0.3
404.04318	0.5
436.06772	2.3
457.33978	0.4
513.10413	0.9
531.11578	0.9
573.12433	1.0
591.13342	2.0
632.40173	0.5
633.14636	51.5
633.31763	2.0
634.14764	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25803	1.0
56.89112	1.1
57.03458	1.4
59.01377	1.9
61.98829	1.8
63.51922	1.0
66.05991	0.9
71.01372	2.4
79.55907	1.0
80.02679	2.4
81.03466	2.3
81.28046	1.3
83.05035	4.0
84.02164	2.0
95.05043	1.2
97.02939	1.3
97.06575	1.2
98.22649	2.3
99.08187	1.7
115.07672	1.4
125.09722	4.7
127.07690	6.2
135.08170	3.1
137.09695	1.7
141.05615	1.5
145.02946	3.9
153.09232	9.2
155.10793	1.9
163.11296	4.1
165.12846	2.1
171.10301	10.2
185.11835	10.3
191.14441	4.3
193.12370	1.2
197.11853	10.1
207.10260	3.3
209.11844	45.0
217.16127	1.8
225.11337	2.5
238.12123	3.4
239.16533	1.4
245.19156	9.8
253.18352	1.2
256.13113	1.7
279.19449	1.3
289.18103	36.6
307.19168	100.0
308.19357	5.1
325.20218	72.5
325.23264	1.0
326.20416	2.6
369.80670	1.2
579.37903	1.2
597.37537	2.1
613.01636	1.3
615.39026	3.3
633.38312	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	634.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.5
61.98833	2.7
63.65707	1.4
69.07925	8.7
70.46559	1.2
71.01376	3.6
78.12563	1.5
78.95901	1.7
93.03479	2.2
96.96026	21.2
98.21809	2.6
101.02434	2.9
112.69390	1.3
113.02483	1.3
121.02915	1.4
132.38690	1.2
141.28194	1.5
149.02390	1.9
160.01712	4.3
164.04797	3.8
167.82468	1.4
172.77585	1.2
173.04512	1.7
175.00348	6.6
175.03987	6.2
190.02744	24.8
191.05649	2.5
192.05893	1.6
193.05025	3.5
205.05066	30.4
223.06157	4.5
289.84998	1.3
429.14047	100.0
430.14264	5.4
473.16501	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
58.31161	0.2
59.01383	100.0
60.01720	0.4
69.42755	1.0
71.01386	1.2
73.02961	0.4
85.02989	0.5
89.02445	1.4
98.21963	0.4
101.02464	1.4
109.02945	0.2
111.00909	0.3
112.05142	0.2
113.02495	0.7
119.03526	0.4
121.02959	2.0
174.11427	0.7
181.12558	0.2
193.05247	0.2
196.07108	0.2
205.12422	0.2
264.71411	0.2
283.02539	0.5
285.04199	0.3
304.81650	0.2
371.52643	0.2
433.09784	0.2
455.19467	0.3
616.33276	0.3
634.35022	7.4
635.16003	0.3
635.35419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81234	0.5
59.01384	55.5
60.01715	2.1
66.73744	0.5
69.24968	2.1
71.01392	2.6
83.01402	0.5
89.02457	1.2
93.03468	0.7
101.02448	1.0
106.15493	0.5
107.01405	0.6
113.02474	1.0
117.03478	0.5
121.02967	0.8
151.00334	1.3
151.12181	0.5
155.05035	0.8
159.04553	0.9
165.01926	0.7
169.06638	1.2
171.04543	0.6
173.02486	0.7
183.04549	2.9
185.02397	0.7
185.06075	1.7
187.04062	0.7
187.11276	1.3
189.05537	0.8
192.00732	0.6
199.04008	0.7
206.43387	0.5
211.04106	2.4
213.05548	1.8
215.03519	0.9
215.06911	0.5
227.03526	4.9
229.05171	1.0
239.03568	0.7
241.05133	0.7
243.02815	0.7
255.03012	39.4
256.03412	1.8
257.04587	1.9
283.02505	100.0
284.03094	7.5
285.04077	54.6
286.04526	2.9
430.09082	19.6
431.09818	29.4
432.10056	1.3
455.19525	0.8
489.10410	9.2
634.34723	2.1
635.16290	38.4
635.34723	2.4
636.16351	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	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14864	0.4
59.01386	13.8
66.53791	0.4
69.40204	0.3
69.40701	0.3
71.01384	4.7
73.02954	0.7
83.01393	0.7
85.02969	1.7
89.02465	2.4
93.03482	0.5
95.01387	0.5
101.02450	3.3
107.01397	0.8
113.02452	1.4
117.03489	1.3
119.03483	0.8
135.00911	0.5
143.03442	0.4
151.00401	2.4
155.05098	0.6
159.04529	0.6
161.04524	1.5
161.13423	2.0
169.06662	0.7
183.04532	2.8
185.06282	0.4
187.04152	0.4
187.11299	4.6
203.24712	0.4
205.12346	2.8
211.04034	2.8
213.05566	0.5
215.03543	0.5
223.08302	2.4
227.03543	7.3
229.05112	0.5
231.10202	1.0
239.03641	0.4
249.11452	0.5
255.03006	48.4
256.03601	2.1
257.04535	0.9
283.02505	100.0
284.03189	12.2
285.04068	24.6
286.04428	0.9
294.39258	0.4
411.20300	0.5
427.51620	0.3
429.08218	3.5
430.09094	34.5
431.09729	5.1
447.09387	0.9
455.13068	0.8
455.19275	15.4
473.10605	2.1
489.10437	51.2
490.10739	2.1
515.26935	0.4
527.18665	0.4
575.14294	1.4
635.16266	21.4
635.25702	4.0
636.16473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.9
65.00342	0.7
69.50847	2.1
71.01389	9.4
71.75881	0.5
73.02946	2.0
83.01389	1.2
85.02971	3.4
87.00864	0.5
88.93973	0.5
89.02464	6.6
93.03452	0.7
95.01419	1.3
98.21937	1.1
101.02444	4.3
105.07092	0.5
107.01442	0.7
113.02444	3.4
117.03461	1.3
119.03505	1.9
135.00858	0.6
151.00345	2.3
154.04242	1.3
155.05063	0.7
159.03096	0.9
159.04462	0.9
161.04552	1.5
161.13379	6.1
169.06602	1.9
171.04573	0.8
173.02383	0.7
179.05632	0.6
183.04485	2.8
185.02454	0.8
185.06126	1.5
187.04051	0.9
187.11302	9.5
189.05617	1.3
199.03896	0.6
205.12320	5.7
211.04002	3.4
213.05568	2.6
214.02666	0.7
223.08267	4.5
227.03535	6.3
229.05095	1.9
231.10265	1.3
239.03442	0.9
241.05078	0.7
243.02980	1.4
249.11330	1.7
255.03004	43.9
256.03522	1.8
257.04553	1.6
260.51294	0.5
283.02505	100.0
284.03204	9.1
285.04074	83.6
286.04407	2.1
411.20288	1.9
429.07928	1.0
430.09085	22.6
431.09860	50.1
432.10165	2.0
455.19260	26.3
455.25674	1.3
456.19595	1.1
489.10425	15.6
490.10815	0.9
501.66928	0.5
575.14154	1.3
635.16223	35.8
635.25873	12.5
636.16064	2.9
636.25677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32495	0.5
59.01385	25.2
59.43004	0.6
63.02460	0.6
69.39230	1.1
69.39633	2.1
71.01391	8.8
73.02961	1.6
73.76013	0.6
79.26775	0.6
83.01385	0.9
83.94511	0.5
85.02950	3.5
89.02452	6.0
90.77416	0.6
95.05035	0.9
98.21897	1.3
99.04503	1.0
101.02465	6.1
107.01415	0.9
113.02456	2.4
117.03490	1.5
119.03517	1.9
151.00409	2.4
158.06201	0.6
161.04538	1.9
161.13354	4.4
163.00516	0.5
179.05556	1.0
183.04503	3.3
185.06128	0.8
187.03975	0.7
187.11295	11.1
187.12857	1.1
199.03862	0.6
205.12302	4.4
211.03943	3.1
213.05511	0.6
223.08229	5.9
227.03517	6.7
231.10324	1.6
237.80304	0.6
243.03041	0.9
249.11183	1.2
255.03006	51.3
256.03558	1.6
283.02505	100.0
284.03189	12.3
285.04059	22.8
286.04437	0.9
358.74783	0.6
411.20590	1.0
429.08395	4.4
430.09079	35.0
431.09729	6.1
455.19263	36.1
489.10440	59.5
490.10822	2.5
568.74878	0.7
575.14441	1.2
635.16168	22.6
635.25891	11.8
636.16925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48877	0.2
56.58251	0.2
59.01385	1.4
71.01369	0.7
73.02914	0.2
75.00880	0.3
78.95907	7.7
79.95743	3.1
80.07772	0.3
89.02457	0.6
96.96021	100.0
96.96931	12.0
101.02477	0.4
101.09620	0.2
105.28873	0.2
118.96661	0.3
121.02908	0.3
134.02077	0.2
134.03729	1.4
135.03041	0.6
135.04568	0.4
149.04617	0.3
156.98233	0.4
160.01685	1.7
160.97684	0.4
168.98267	0.3
175.04018	2.9
191.05650	0.4
193.05104	1.1
196.97748	0.5
205.05147	0.2
223.06177	0.2
226.98610	0.3
229.00363	0.6
255.10335	0.2
265.07584	0.3
289.02448	2.4
297.06592	0.2
298.92935	0.2
319.03571	0.3
331.03546	0.2
349.04401	0.3
413.14587	0.3
456.51077	0.2
473.16724	3.9
474.17111	0.3
507.15463	0.2
537.25299	0.5
575.20416	0.6
635.23047	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73983	1.0
55.01858	1.5
57.03434	2.5
59.01384	52.8
60.11882	1.0
61.77637	1.1
69.11250	6.6
70.32110	1.1
71.01019	1.9
71.01389	27.2
73.02946	4.1
76.57066	1.0
79.05517	1.3
83.01405	2.3
85.02953	10.3
89.01923	1.8
89.02448	17.1
95.01443	1.9
95.05053	1.2
96.72040	1.2
99.04531	1.7
101.02460	16.5
107.05016	1.7
113.02456	9.9
117.23074	1.1
117.69369	1.2
119.03504	7.1
132.77563	1.1
159.03065	2.4
161.04547	6.6
161.09767	1.7
161.13379	13.8
169.10304	1.5
179.05640	1.4
181.98192	1.0
187.11285	34.2
188.11691	1.3
205.12386	21.4
220.62001	1.1
223.08257	17.6
231.10271	3.3
249.11349	2.1
252.99193	1.1
255.03038	1.2
283.02466	2.1
411.20224	4.2
455.19241	100.0
456.19455	6.3
464.32742	1.1
635.17279	1.9
635.25610	32.0
636.26398	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	635.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03447	2.4
59.01384	81.5
60.01699	2.3
69.22345	8.4
71.01383	33.8
73.02946	7.2
78.72512	1.7
80.54987	1.4
83.01363	2.0
85.02952	10.5
89.02457	20.8
95.01371	2.6
98.21957	2.9
99.04539	3.1
101.02449	26.3
107.05055	3.0
113.02470	14.6
119.03499	7.5
135.04533	2.1
159.03032	2.2
159.11798	2.8
161.04576	8.9
161.13365	21.2
169.10217	2.3
179.03563	1.7
179.05585	2.4
183.04533	2.5
187.11290	56.7
205.12346	21.9
223.08191	20.1
227.03575	4.0
229.12389	3.1
231.10396	7.7
249.11276	5.9
255.03011	34.8
256.03394	3.7
266.28430	1.9
283.02509	76.8
284.03198	9.7
285.04095	17.8
334.86032	1.7
365.47647	1.8
411.20331	7.2
430.09088	19.9
431.09747	5.8
447.09262	2.1
455.19266	100.0
456.19803	8.1
489.10526	27.8
490.10809	2.9
635.16083	24.2
635.25696	30.8
635.34509	2.4
636.16418	3.3
636.25684	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03445	2.0
59.01382	80.3
60.01716	1.2
60.93779	0.8
69.07748	4.6
71.01388	31.6
73.02946	5.2
81.07101	1.2
83.01382	3.7
85.02955	10.4
87.00870	1.2
89.02451	22.6
95.01405	2.9
95.05022	1.9
99.00873	1.9
99.04503	1.7
101.02447	23.3
107.05033	2.0
113.02454	11.8
119.03525	6.9
120.05766	0.8
120.40022	0.9
121.02925	1.3
135.04555	1.1
143.03470	1.2
157.06586	1.8
159.03036	1.3
159.08199	1.1
159.11938	0.9
161.04579	8.5
161.09737	0.8
161.13361	17.5
169.10269	2.2
171.08330	0.9
179.05609	2.3
185.09723	0.9
187.11292	39.4
188.11536	1.1
193.14413	0.8
205.12338	22.4
223.08244	20.4
223.10443	1.3
229.12357	2.0
231.10240	4.4
241.01375	2.2
242.01994	1.4
247.13388	1.2
249.11327	4.8
255.03111	3.0
265.27878	0.9
270.01605	1.1
282.41852	1.0
283.02402	6.1
285.03967	3.4
299.01944	1.6
351.14078	1.2
391.29822	0.9
411.20648	6.1
430.09036	1.1
431.09656	1.6
455.19232	100.0
456.19617	5.9
635.15894	1.5
635.25537	45.6
636.25916	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	635.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.0
59.01386	53.6
69.15949	6.7
71.01389	22.9
72.99346	1.0
73.02956	4.6
79.05541	0.9
81.03458	1.0
83.01376	3.1
85.02956	8.2
88.50716	1.0
89.02454	17.5
95.01387	2.1
95.05033	1.7
99.00923	1.1
99.04531	2.3
101.02457	17.1
107.05037	1.0
113.02468	10.1
119.03515	4.2
120.05814	1.2
125.72462	1.1
127.63971	1.1
129.81340	0.9
143.03513	1.0
157.06567	1.4
159.03020	1.1
159.11795	1.1
161.04602	6.6
161.09647	1.0
161.13380	11.5
179.05626	1.7
185.09683	1.5
187.11292	28.1
188.11652	1.6
205.12343	16.2
223.08295	14.9
228.24074	1.0
229.12372	1.6
231.10260	4.2
249.11365	3.0
257.14108	1.0
284.03067	1.5
411.20184	3.4
455.19275	100.0
456.19519	7.2
635.16180	1.6
635.25580	35.4
636.25574	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19507	0.4
59.01382	1.5
61.98837	100.0
66.73681	0.4
69.30952	1.3
69.31357	0.6
71.01406	1.2
72.63651	0.4
88.98802	0.4
89.02466	0.7
93.50506	0.4
101.02469	0.5
227.03479	3.2
255.03026	5.3
255.05386	0.6
283.02585	0.7
284.03281	5.7
284.06253	0.4
285.04053	2.2
396.85501	0.5
471.09677	0.5
513.10822	0.6
573.12524	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	637.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33412	0.5
57.03424	0.5
59.01387	10.5
61.98826	0.5
63.90941	0.5
65.00342	0.9
71.01391	6.4
73.02938	1.4
79.40932	0.5
82.07169	0.5
82.95411	0.5
83.01376	1.0
85.02956	1.1
87.00875	0.9
89.02444	4.7
98.22691	0.9
101.02454	2.8
107.01424	2.0
109.02965	0.9
111.00889	1.4
111.08170	0.8
113.02477	1.5
116.92874	0.9
119.03477	0.7
121.03004	1.1
122.43217	0.6
125.02461	0.9
131.03540	1.0
132.02185	1.6
133.02962	1.1
134.03743	3.4
135.04436	0.8
137.02473	0.9
149.04585	0.7
149.06036	0.5
151.00378	6.2
159.04530	0.5
160.01678	6.5
161.02428	1.5
163.00452	0.6
163.04037	0.8
167.03513	0.6
171.04597	0.6
173.08221	1.4
175.00414	1.9
175.04024	8.6
178.99899	1.1
179.03566	0.8
179.05632	0.7
191.03725	0.5
191.05585	0.7
193.01425	0.7
193.03520	0.5
193.04997	3.4
199.04041	3.6
201.01982	0.7
203.03760	0.7
215.03491	2.5
221.04419	0.5
227.03542	2.9
230.84787	0.5
243.02979	4.2
254.02132	0.5
255.03070	2.0
269.68817	0.5
271.02490	54.2
272.02911	1.9
299.01978	100.0
300.02655	11.1
301.03537	28.0
302.03973	1.1
311.07669	0.5
317.40930	0.5
343.04547	0.6
366.95038	0.5
434.37781	0.4
463.08997	2.4
474.08084	25.2
475.08798	29.1
475.16046	15.8
476.09082	1.1
476.15955	0.6
487.25381	1.7
493.22797	0.9
505.13599	1.8
505.26218	0.7
517.26746	0.6
636.34308	0.6
637.14130	68.1
637.29480	5.8
638.14410	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	637.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
59.90933	0.4
64.96584	0.4
71.01408	1.3
73.16039	0.5
83.01407	0.4
85.02973	0.5
89.02467	1.0
98.22645	0.9
101.02446	0.4
107.01424	0.8
109.03001	0.5
111.00882	0.9
121.02975	0.5
133.02982	0.6
137.02455	0.5
149.04579	1.1
151.00401	2.2
171.04543	1.0
175.00366	1.0
175.04027	1.0
178.99849	0.7
179.03487	0.5
193.05165	0.6
199.03983	2.7
199.11211	0.5
201.01964	1.0
207.23305	0.4
215.03560	1.7
226.02707	0.8
227.03552	2.6
242.02170	1.0
243.03075	3.1
255.02966	1.1
271.02505	50.9
272.02829	2.2
299.01987	100.0
300.02576	8.0
301.03564	4.3
406.23441	0.5
415.07013	0.7
432.06857	1.7
461.07123	2.2
462.08075	44.2
463.08649	3.1
475.08765	8.1
475.15543	0.7
476.09161	0.8
483.70212	0.5
517.10022	0.6
533.15833	0.5
577.12018	1.4
595.12720	0.7
637.14111	47.8
638.13934	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	637.142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30071	0.8
59.01387	8.1
61.98838	29.8
65.00351	1.0
69.12547	5.4
71.01372	3.1
73.02955	1.5
85.02988	0.9
89.02439	2.0
101.02421	2.5
107.01404	1.6
108.02171	2.3
108.50275	0.8
109.02948	1.1
111.00863	1.0
112.93384	0.8
113.02432	1.6
116.92847	1.1
119.03463	1.0
121.02945	0.9
121.83350	0.8
131.03577	1.0
134.06693	0.8
148.01645	1.3
151.00415	5.2
152.00922	1.0
163.00378	1.2
175.04033	1.6
178.99831	2.3
199.04085	2.0
215.03577	1.1
215.69829	0.8
222.88770	0.9
226.02748	1.4
227.03418	2.5
243.02968	8.9
254.02223	2.9
255.03029	22.5
256.03320	1.5
271.02515	55.8
272.03183	4.2
283.02509	2.4
284.02713	2.4
285.03448	1.2
299.01996	9.6
300.02771	100.0
301.03430	12.5
387.08926	0.9
431.09482	1.1
432.09665	1.5
463.08298	1.0
475.08960	4.7
475.15582	1.7
489.10370	0.9
577.11835	1.8
636.39661	2.5
637.14185	59.3
637.30914	2.4
637.40442	1.5
638.14618	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	637.142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30071	0.8
59.01387	8.1
61.98838	29.8
65.00351	1.0
69.12547	5.4
71.01372	3.1
73.02955	1.5
85.02988	0.9
89.02439	2.0
101.02421	2.5
107.01404	1.6
108.02171	2.3
108.50275	0.8
109.02948	1.1
111.00863	1.0
112.93384	0.8
113.02432	1.6
116.92847	1.1
119.03463	1.0
121.02945	0.9
121.83350	0.8
131.03577	1.0
134.06693	0.8
148.01645	1.3
151.00415	5.2
152.00922	1.0
163.00378	1.2
175.04033	1.6
178.99831	2.3
199.04085	2.0
215.03577	1.1
215.69829	0.8
222.88770	0.9
226.02748	1.4
227.03418	2.5
243.02968	8.9
254.02223	2.9
255.03029	22.5
256.03320	1.5
271.02515	55.8
272.03183	4.2
283.02509	2.4
284.02713	2.4
285.03448	1.2
299.01996	9.6
300.02771	100.0
301.03430	12.5
387.08926	0.9
431.09482	1.1
432.09665	1.5
463.08298	1.0
475.08960	4.7
475.15582	1.7
489.10370	0.9
577.11835	1.8
636.39661	2.5
637.14185	59.3
637.30914	2.4
637.40442	1.5
638.14618	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	637.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09169	0.7
58.71313	0.6
59.01382	10.8
61.98838	16.1
63.71381	0.7
65.00343	0.8
69.08350	1.5
69.08752	3.2
71.01390	3.3
72.97362	0.6
73.02974	1.0
83.01418	0.8
85.02960	1.3
87.00867	0.6
89.02464	2.2
98.21943	1.3
101.02473	2.5
102.83707	0.6
107.01410	1.8
108.02197	2.0
108.58097	0.6
113.02489	1.6
119.03503	1.2
146.62592	0.7
148.01689	0.9
151.00377	4.9
160.04047	0.8
163.00391	0.9
164.01208	0.8
175.04039	0.9
178.99869	3.5
183.04579	0.6
187.11342	0.7
199.04037	1.5
215.03502	1.1
223.08339	0.8
226.02797	1.3
227.03586	2.5
243.03004	12.0
244.03510	0.9
254.02214	2.7
255.03011	25.6
256.03326	1.5
271.02512	61.9
272.02960	3.7
283.02472	3.2
284.02921	2.4
285.03882	2.9
286.04422	2.1
287.04501	1.0
299.02060	9.8
300.02780	100.0
301.03424	12.7
431.09683	1.2
432.09998	1.6
433.10352	2.1
457.20609	1.7
475.09125	1.6
577.12048	3.0
595.12982	1.3
595.29077	0.7
636.39795	3.2
637.14215	60.9
637.25336	1.9
638.14508	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	637.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
57.63971	0.6
59.01384	21.0
60.16976	0.9
61.98829	1.1
67.19238	0.7
67.71942	0.7
71.01394	12.8
72.99329	1.0
73.02953	2.5
75.00879	1.0
83.01388	1.1
85.02956	3.5
87.00882	1.5
88.98813	1.1
89.02445	13.4
93.03466	1.2
96.96009	0.9
99.00884	1.3
101.02451	6.7
107.01402	1.0
109.68325	0.8
111.00887	1.3
113.02436	3.8
115.02247	1.2
115.03973	0.7
116.92853	1.5
117.03491	1.4
119.03547	1.9
119.05018	3.6
121.03008	0.8
132.02196	9.3
133.02977	3.3
134.03757	20.2
135.04573	3.7
137.02435	1.6
137.06120	0.7
145.03014	0.8
149.04590	1.8
149.06094	4.0
151.00336	1.1
151.04039	0.8
160.01672	50.7
161.02478	7.8
161.04576	1.2
163.03996	0.9
166.05060	0.8
167.03514	1.1
175.04016	65.2
176.04520	1.6
178.02747	1.8
179.03494	3.6
184.51627	0.8
191.05568	1.4
191.07169	2.0
193.05067	17.9
221.04691	0.8
227.33078	0.7
235.06146	2.7
243.03087	0.8
251.05559	1.1
255.03064	2.2
271.02530	6.4
281.06808	1.9
299.02090	3.4
300.02734	8.1
301.03436	2.9
462.07919	0.8
475.16165	100.0
476.16519	6.0
487.25531	3.5
505.13943	4.7
505.26483	0.9
567.51251	0.8
577.28613	0.9
636.35565	1.2
637.14191	6.6
637.30548	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	637.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
57.05333	0.2
57.15186	0.2
57.75563	0.2
59.01384	9.0
60.01721	0.8
61.01801	1.0
61.98835	100.0
63.96225	0.2
71.01386	2.0
71.40499	0.2
71.40928	0.3
73.02963	0.4
75.62444	0.2
76.68766	0.2
82.62411	0.2
84.42184	0.2
85.02993	0.6
87.00896	0.3
87.33041	0.2
89.02448	1.8
96.96027	0.4
99.04506	0.3
101.02480	1.0
111.00927	0.3
111.16721	0.2
113.02454	1.0
116.92870	0.5
119.03508	0.4
125.02477	0.4
134.03778	0.3
135.04456	0.3
149.10709	0.2
149.69148	0.2
151.00446	0.3
151.33524	0.2
160.01668	0.3
163.04054	0.2
179.05701	0.3
191.05583	0.2
193.05077	0.3
243.03049	0.5
255.03053	1.9
256.03430	0.9
257.03665	0.8
271.02530	2.0
283.02472	2.2
284.02884	2.0
285.03134	1.9
286.04257	0.6
287.04675	0.4
299.02069	0.4
300.02756	3.3
301.03439	0.7
427.91727	0.2
430.09457	0.4
431.09549	0.3
432.09814	0.9
437.81219	0.2
475.22107	0.9
491.11130	1.0
493.22794	2.1
494.23816	0.2
637.15833	4.1
637.29163	0.8
638.15613	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03443	3.8
59.01384	27.5
61.98833	10.0
69.03447	1.7
69.44583	2.1
69.44972	2.0
71.01016	1.7
71.01385	19.6
71.05029	2.2
72.99323	1.2
73.02953	17.3
73.34676	1.1
81.03475	1.1
83.01395	5.8
83.05047	2.1
85.02955	22.0
86.00106	0.9
86.02486	1.5
87.00873	3.2
87.04526	14.9
88.04053	3.4
88.98798	1.1
89.02447	8.3
95.01392	1.3
95.05017	2.4
97.02940	2.0
98.22610	1.0
99.00878	2.7
99.04543	5.8
100.04051	2.4
101.02456	20.6
101.06087	1.0
102.05624	1.6
107.04987	0.9
111.00893	3.4
111.04518	1.9
113.02463	9.0
113.06088	1.0
113.20218	0.8
116.92932	1.4
117.92924	0.9
119.03500	1.8
119.05034	1.2
121.03008	0.9
123.04512	1.0
125.02408	1.3
131.07150	6.9
143.07149	12.6
145.02855	1.1
149.05991	1.0
149.96355	0.8
155.07129	2.1
159.03004	1.4
160.09862	1.2
161.04587	3.0
161.46581	1.1
173.08199	1.4
182.25708	0.9
193.05042	2.0
195.17615	1.5
205.05083	0.9
209.65761	0.9
255.19743	1.4
257.21283	5.0
272.02817	1.3
285.20779	2.0
302.23434	4.9
303.21713	1.5
346.26004	4.1
358.25995	2.2
407.22653	1.1
419.26678	5.9
447.26062	7.6
464.28662	48.9
465.27115	30.5
466.27454	1.4
506.29968	1.1
508.31372	1.1
520.31451	1.5
579.29681	1.2
608.36462	8.7
620.36151	1.7
638.37640	100.0
639.38855	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	639.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89298	0.9
59.01386	39.0
68.30486	1.0
69.16198	4.9
71.01390	16.8
75.00871	1.2
77.88866	1.0
78.82854	0.9
83.01395	1.3
85.02945	4.3
87.00886	6.3
89.02455	15.4
96.96008	1.5
98.21870	2.2
101.02453	9.9
103.00386	1.4
108.02219	1.5
109.02951	3.1
111.00886	1.9
113.02476	5.2
119.03521	2.9
121.02951	1.2
123.04509	2.7
130.99857	1.6
133.61153	1.0
135.03043	1.4
139.93011	1.0
146.03763	9.4
147.04529	4.5
147.10092	0.9
158.03743	1.3
159.04538	9.8
161.02388	1.2
182.99393	1.1
193.04987	1.1
227.05733	1.6
239.07164	2.7
240.08040	1.8
243.03493	0.9
251.07097	5.5
252.07849	5.6
253.05000	4.5
267.06647	16.3
268.07437	37.1
269.07471	1.3
270.01553	1.5
283.09772	44.5
284.09946	1.3
300.02689	1.4
313.03497	3.7
315.05087	2.9
327.08575	2.7
435.83017	1.2
456.06824	1.1
459.13803	1.7
463.16074	34.3
477.10226	3.5
477.97852	1.0
507.15097	100.0
508.15604	4.6
639.15723	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	639.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76746	1.3
59.01386	32.6
61.98835	100.0
69.03443	1.5
71.01380	18.5
73.02950	5.7
77.69933	1.4
78.95901	2.7
82.95439	2.8
83.01405	2.5
84.23235	1.4
85.02985	7.4
87.00890	2.7
89.02450	10.4
96.96016	2.3
98.09078	1.6
98.21893	4.0
99.00885	3.4
100.93384	1.5
101.02432	9.5
111.00878	2.9
113.02472	7.7
116.92853	10.0
117.99057	1.5
119.03518	3.0
121.02973	2.7
143.03532	2.7
145.04964	1.5
149.04495	2.9
154.76369	1.6
161.04507	2.4
167.03529	2.1
172.05316	3.7
173.06105	6.1
173.48280	1.6
179.05745	2.1
193.05049	2.0
207.87347	1.6
238.35271	1.6
356.18219	1.9
459.27435	4.8
465.23346	2.5
535.31207	1.9
545.95386	2.0
603.33868	10.4
638.38672	1.9
639.29895	37.8
639.39520	6.7
640.30457	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	639.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.0
57.23319	5.5
59.01381	100.0
61.98840	76.1
71.01379	36.5
73.02948	10.7
85.02953	22.9
89.02434	17.8
101.02457	25.7
113.02460	15.0
116.92837	10.6
119.03551	8.3
121.02959	7.4
123.04605	5.6
134.03732	6.5
137.02460	6.8
145.02991	8.6
163.04019	8.0
168.30527	6.0
191.05530	9.4
193.05075	10.3
225.84248	6.9
285.03772	5.9
300.02716	13.2
477.09781	11.3
477.16870	6.4
535.28162	9.6
579.30444	49.4
582.58649	7.9
595.49542	6.7
639.15448	9.5
639.38495	9.0
640.38812	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	639.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50636	8.5
60.16971	11.2
61.95723	9.1
61.98836	10.3
65.13842	9.8
69.54258	21.8
69.54640	19.5
70.47916	8.7
71.01398	15.3
91.05081	8.8
98.22610	19.0
113.81184	9.6
162.53833	9.5
220.14700	53.7
221.15515	100.0
236.10510	72.2
293.17648	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06558	0.3
61.98835	100.0
68.58594	0.3
71.42843	0.3
74.60060	0.3
80.12596	0.2
139.54655	0.3
297.03104	0.3
325.00168	0.3
392.21039	0.3
482.18161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.2
59.01380	3.5
61.98835	100.0
71.01396	1.2
73.02937	0.3
76.36256	0.2
78.91931	0.4
78.95935	0.4
79.95756	0.9
80.96522	1.4
82.95464	0.2
84.28374	0.2
85.02981	0.6
87.00906	0.4
89.02443	0.5
93.03544	0.2
93.47576	0.2
94.98121	0.4
96.95996	0.2
99.00911	0.2
101.02464	0.7
113.02499	0.4
116.92899	0.7
121.02975	0.4
132.92732	0.2
152.98645	0.2
161.04591	0.2
173.06078	0.2
191.05573	0.2
209.11964	0.4
225.00728	0.2
236.94341	0.2
267.65076	0.2
321.95444	0.2
398.11853	0.2
640.30536	1.0
641.28540	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	640.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01711	0.5
61.98835	10.2
71.01395	2.0
71.42133	0.6
73.02976	0.6
77.59731	0.4
82.47531	0.4
82.95443	0.8
85.02974	1.3
88.04009	0.5
88.98800	0.5
89.02464	1.6
93.03422	0.6
101.02486	1.3
102.63137	0.5
111.00951	0.6
112.36713	0.4
113.02460	1.1
116.92857	1.1
121.02993	1.6
132.02097	0.5
147.23109	0.4
201.53654	0.5
255.03006	0.5
285.04138	0.5
321.68747	0.5
341.23462	0.8
405.10751	0.5
477.32455	0.6
536.00439	0.5
566.31024	1.2
640.40302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.1
59.01385	2.9
69.03474	11.1
69.13143	10.9
79.38091	1.8
81.03490	1.9
93.03570	2.0
95.05070	2.6
97.06635	2.6
123.04479	2.7
123.08233	4.7
125.09737	8.6
130.35509	1.9
147.49504	2.1
151.11304	5.5
153.12849	1.9
161.09749	13.6
163.11388	3.7
171.10304	3.3
179.10791	28.3
179.12244	3.6
185.11868	8.7
191.14452	2.6
197.11847	87.5
207.10316	3.4
223.09747	3.9
241.10799	13.0
245.19153	6.1
289.18079	20.5
297.13531	4.6
303.42511	1.9
307.19150	12.7
308.19635	2.6
315.14526	18.9
319.19061	2.2
325.40771	2.2
543.33850	2.1
561.34064	3.3
578.29315	2.2
587.32281	4.0
605.33368	100.0
606.33740	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	641.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
82.27032	94.9
93.78985	90.0
121.02920	100.0
138.97578	81.3
166.73283	74.7
176.76833	85.1
262.06354	97.5
376.47372	96.9
384.58600	84.7
393.21997	90.4
473.28140	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01167	3.3
59.01389	36.5
59.52701	3.7
61.98834	61.1
71.01390	39.3
73.02946	13.6
82.02978	5.1
83.01404	6.7
85.02979	20.2
86.63543	4.8
87.00892	6.4
88.98808	5.0
89.02443	19.7
94.04130	4.3
96.96013	8.2
100.04048	5.2
101.02458	27.2
111.00846	6.1
113.02451	15.5
118.03055	3.6
119.03481	7.2
121.02949	13.3
123.04500	4.5
134.03734	4.2
135.04585	9.2
138.05592	3.4
148.36069	3.4
151.04013	8.6
159.02957	3.7
160.04062	6.2
161.04584	10.0
166.05107	4.9
167.03548	7.2
179.03484	5.2
193.05032	5.4
206.08278	3.9
248.09311	5.5
282.04092	5.9
283.02267	5.9
297.20175	3.5
443.15390	4.5
598.32416	100.0
599.32880	7.8
641.17712	5.3
641.30292	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	642.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.98833	100.0
64.51134	0.2
71.01390	0.5
85.02966	0.3
88.98826	0.4
89.02462	0.5
110.49753	0.2
111.00906	0.2
141.47922	0.2
177.87434	0.2
181.55148	0.2
191.05659	0.2
193.05049	0.2
297.17148	0.3
641.40363	0.3
666.81177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94889	0.1
58.26259	0.1
59.01359	0.3
61.98837	100.0
72.98213	0.1
80.96539	0.2
108.75161	0.1
209.11876	0.2
219.62320	0.1
238.32774	0.1
242.30957	0.1
292.69232	0.1
317.21622	0.2
318.21741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91634	0.1
59.01382	3.7
61.98835	100.0
65.16792	0.1
65.47951	0.1
69.32842	0.6
69.33214	0.3
71.01420	0.3
73.74197	0.1
93.31502	0.1
101.02480	0.2
116.19779	0.2
181.05157	0.6
196.07402	0.8
211.09770	2.5
274.95657	0.2
421.18613	0.9
492.84024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26040	1.0
51.37997	1.0
54.21183	1.0
55.35968	1.0
59.01364	4.6
61.98836	29.6
65.78180	1.2
71.01389	7.4
72.72222	1.1
73.02962	1.9
78.98590	6.9
79.95747	14.8
80.96524	74.1
85.02948	3.1
87.00877	3.7
94.98095	15.9
96.96009	2.4
97.02937	1.9
98.22630	4.1
101.02435	3.0
106.98089	3.2
122.97602	4.0
125.02449	3.1
134.97604	5.1
136.99130	1.9
148.99162	6.5
152.98653	5.9
164.98651	12.4
197.11861	4.3
206.99760	1.7
209.11778	3.2
214.30537	1.3
225.00761	18.5
226.93401	1.1
227.12917	1.9
299.04410	2.8
394.42236	1.2
435.64880	1.5
607.24402	10.0
643.22021	100.0
644.22534	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	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.9
61.98831	4.1
67.01908	1.2
71.01388	3.3
73.02953	1.1
78.95911	1.8
80.91686	1.3
83.01441	0.8
83.05044	0.9
85.02963	1.5
87.00916	1.2
89.02460	2.4
95.01385	0.6
96.96024	0.9
99.00918	0.6
101.02460	2.5
103.43457	0.5
107.05043	0.8
109.02948	5.1
113.02472	1.2
119.03543	0.8
121.02982	2.2
123.00942	1.2
123.04521	0.9
124.01588	0.9
125.02478	0.9
129.09164	0.7
135.04521	0.7
135.08150	0.7
136.01669	2.7
137.02454	27.5
139.00366	0.7
139.04018	1.0
149.06058	1.2
150.03233	2.4
151.00389	6.1
151.03972	3.9
151.07607	0.8
152.01161	0.8
152.04787	2.7
152.99554	1.3
161.02420	1.1
163.04041	1.2
163.11343	0.8
164.01169	3.1
165.01945	100.0
165.05600	2.4
166.02731	17.3
167.03473	1.9
171.10233	0.7
175.04054	1.7
177.01970	1.3
177.05623	1.7
179.03517	22.2
179.07097	1.6
180.04297	54.8
181.05087	18.2
181.08731	0.9
182.05453	1.8
185.11880	1.3
187.04010	1.6
190.02841	0.6
190.06328	0.6
192.04259	0.7
193.05064	1.7
194.05841	3.4
195.02977	2.5
195.06638	71.9
196.06981	2.0
197.11809	1.5
205.05054	5.2
207.10207	1.5
209.11893	3.7
210.05350	10.9
211.05885	0.7
220.07442	2.8
225.07700	48.7
225.11357	2.7
226.07967	0.6
230.21886	0.8
241.01283	1.0
253.09100	0.9
255.03099	0.7
293.17712	1.5
309.20667	0.9
310.24438	0.7
327.21524	0.9
353.06744	0.7
359.11292	2.8
371.11462	0.9
386.13840	1.1
387.10666	2.4
387.14963	5.1
402.13257	0.9
403.13834	2.1
417.15561	26.8
418.15994	1.3
565.20435	2.5
580.19238	1.1
595.21899	40.2
596.22107	3.1
643.27515	4.8
643.37195	5.1
644.12512	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97598	0.3
59.01387	100.0
60.01725	0.6
61.39386	0.4
61.98838	44.6
62.98527	0.5
64.10658	0.4
71.01404	1.4
71.42622	0.5
73.02961	0.4
85.03011	0.4
88.30843	0.4
89.02466	1.0
101.02457	1.4
113.02486	0.7
119.03436	0.4
120.29741	0.3
126.88736	0.4
134.03807	0.8
149.06128	0.7
151.04012	1.0
161.04587	0.6
165.73109	0.3
179.05621	0.4
181.05090	14.3
193.05046	0.5
196.07426	18.7
199.02620	0.4
211.09782	56.9
212.10126	1.6
254.84479	0.4
396.20984	0.4
421.18726	21.1
422.18967	1.2
643.32404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17050	0.8
54.00324	0.8
56.12550	0.9
57.03437	1.2
57.17433	0.9
57.56018	0.8
58.58376	0.8
59.01385	17.6
61.98838	10.1
66.21340	0.7
71.01389	8.2
73.02948	2.5
75.00851	0.9
79.95741	2.4
80.02672	2.0
80.96521	9.8
81.03462	2.7
82.82281	1.0
82.95410	1.0
83.01394	1.7
83.05035	9.4
85.02956	3.4
87.00883	1.2
89.02457	5.5
93.03439	1.6
94.98067	2.4
95.05037	4.0
96.96021	1.2
97.02962	2.3
97.06608	2.5
98.21899	1.7
99.00890	1.7
99.04500	1.0
100.59346	0.9
101.02455	7.2
107.05024	1.5
109.03104	0.9
109.06606	4.4
111.04530	1.3
113.02450	4.1
117.07115	3.1
119.03503	1.5
121.02950	1.1
123.04539	5.0
123.08234	1.1
125.02457	1.3
125.09739	1.3
133.06596	4.5
134.03804	0.9
135.08179	17.7
137.02455	0.9
147.08119	1.1
148.99133	1.0
151.07692	1.2
152.98618	1.0
153.09203	2.6
157.08658	0.8
161.04584	1.7
161.06165	1.8
163.11317	5.9
164.98628	2.2
165.12897	2.6
169.12434	0.9
171.10258	7.4
171.24629	0.8
175.03992	0.8
179.05725	1.3
179.07161	26.2
181.08751	8.3
181.12320	1.1
185.11784	1.1
191.10828	1.2
197.08238	5.7
197.11761	4.2
199.09834	1.1
201.11310	1.1
207.10275	10.3
209.11848	100.0
210.12173	3.1
217.08752	1.2
225.00758	2.9
225.11359	7.1
227.12885	14.5
235.08287	2.4
253.09286	12.4
261.87704	1.0
271.99371	1.0
345.20718	1.2
353.06689	1.0
371.18668	2.9
389.19540	2.5
433.17319	2.3
461.20297	2.1
607.27710	3.2
625.28778	8.0
643.29749	23.6
643.39581	2.1
644.30469	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	643.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.0
61.98824	5.8
67.17715	1.7
69.66608	4.9
71.01384	13.7
73.02952	2.7
78.98604	5.9
79.95747	33.6
80.96525	55.7
81.03488	4.7
82.95438	18.8
83.01386	3.1
83.05028	9.4
85.02964	5.4
87.00894	4.7
89.02460	7.0
93.03476	2.8
94.98109	11.5
96.96049	2.3
97.02962	7.1
99.00893	2.1
101.02430	12.5
105.46906	1.8
106.98068	3.4
109.06603	18.9
113.02443	3.9
117.07174	2.1
119.03516	2.0
122.97591	2.7
123.04514	3.7
125.02480	2.8
125.09821	1.9
133.06657	2.8
134.97592	5.7
135.08200	13.1
136.05318	1.9
137.02295	1.8
137.78394	1.6
148.99142	4.1
151.00403	2.4
152.89943	1.7
152.98682	5.5
155.20042	2.0
161.04588	2.1
163.11311	9.8
164.98666	10.1
171.10234	5.3
179.07162	15.5
181.08733	25.6
181.12294	2.6
185.11838	2.2
197.08203	4.2
197.11859	12.5
199.09769	5.7
206.99776	2.8
207.10287	36.6
209.11873	61.4
210.42874	1.7
225.00851	14.9
225.11382	18.6
227.12930	6.2
235.08195	2.7
253.09378	14.9
288.97495	1.7
299.04398	2.5
367.03317	2.7
371.18533	3.8
389.19879	2.1
403.03738	2.1
443.18921	2.7
461.20428	10.8
607.27917	5.9
625.27911	9.9
643.30054	100.0
643.38678	3.8
644.30457	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	643.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	94.1
94.34074	42.1
97.81583	41.0
98.22688	100.0
109.74252	47.4
175.33470	51.0
197.47148	52.1
209.11879	86.6
250.91277	51.8
349.40198	50.5
351.14832	50.2
356.47000	47.4
485.16635	49.6
521.25513	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77784	1.1
59.01380	7.2
61.98802	1.3
71.01386	3.7
80.02652	1.1
83.01360	0.9
83.05013	3.3
85.02982	1.1
89.02458	2.8
96.96003	5.6
101.02457	2.2
111.12337	1.0
113.02471	1.9
119.03521	1.7
153.12801	2.4
161.04567	1.4
163.11290	2.4
165.12834	1.4
169.12309	5.3
171.10271	2.2
185.78336	1.1
197.11842	100.0
198.12173	2.8
207.10278	1.0
209.11835	76.7
210.12148	2.8
223.78772	1.2
227.12927	10.5
229.87009	1.0
235.08212	2.9
235.13451	1.4
253.09267	8.0
425.89240	1.2
433.20822	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	644.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01715	0.6
61.98835	11.2
71.01390	1.9
71.44653	0.6
73.02975	0.5
82.95468	0.4
83.01413	0.5
84.49472	0.4
85.95542	0.4
88.98815	0.4
89.02473	1.8
92.10399	0.4
94.49114	0.4
96.96049	1.1
101.02457	1.1
111.00861	0.7
113.02470	0.9
116.92881	0.5
121.02980	4.6
134.03796	0.6
135.04562	0.7
137.02521	1.2
149.02554	0.4
149.04593	0.6
149.20561	0.4
160.01724	1.8
165.01938	3.0
166.02338	0.9
175.04089	1.6
179.03546	1.0
180.04311	1.6
195.06563	2.0
196.06958	0.7
209.11903	1.0
225.07793	1.3
226.08029	0.9
255.03052	0.5
256.02689	1.8
333.20816	0.5
399.13251	1.2
418.16437	0.5
489.10590	0.9
556.11877	0.6
596.22754	1.9
600.13953	1.9
644.12903	0.9
644.34564	1.3
645.33002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56209	0.3
51.86000	0.3
55.01854	0.6
57.03451	0.9
59.01388	20.6
59.09806	0.4
59.46806	0.4
61.98835	2.2
68.43193	0.3
68.99546	0.4
69.21394	1.7
70.17815	0.3
71.01390	5.7
73.02934	1.2
80.02671	1.8
81.03449	2.1
82.95446	2.0
83.01398	1.3
83.05033	13.2
84.02161	1.5
85.02972	1.9
87.00898	0.7
89.02454	3.1
95.01420	0.6
95.05040	1.0
96.96048	0.5
97.02952	1.0
97.06606	0.9
98.22681	0.7
99.00864	0.6
101.02454	5.0
108.11434	0.4
109.02971	0.4
109.06614	1.9
111.00892	1.4
113.02475	2.3
119.03521	1.0
121.02950	0.7
123.08153	0.4
125.02450	0.6
125.06112	1.1
125.09743	0.8
129.01900	0.4
135.08185	4.2
137.09740	1.1
143.03566	0.7
143.07156	2.2
161.04579	1.6
163.07660	1.2
163.11249	3.5
165.12920	2.2
167.07225	0.4
171.10245	2.4
175.03972	0.5
179.05618	0.8
181.08727	42.9
182.09055	1.1
185.11848	0.5
191.10825	0.8
199.09805	4.5
209.11853	100.0
210.12224	3.1
219.10310	1.2
221.11897	0.5
227.12906	13.2
227.15051	0.9
228.13228	0.4
235.08218	1.8
247.13362	0.9
253.09314	9.8
265.14432	0.5
391.21448	0.8
417.61404	0.4
445.20605	0.6
583.27661	0.5
585.29034	0.9
599.34338	1.6
609.28802	0.7
627.30157	0.9
645.38031	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	645.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58218	0.4
59.01389	19.3
61.98840	3.2
69.11836	0.4
71.01392	5.6
71.05045	0.4
73.02951	2.0
79.95753	1.2
80.02687	1.6
81.03458	1.8
82.95427	1.0
83.01401	1.6
83.05039	13.2
84.02190	1.3
85.02962	2.5
86.45914	0.4
87.00883	1.4
89.02458	3.4
93.03484	0.9
95.05038	1.5
96.96014	0.7
97.02942	0.8
97.06606	1.0
99.00919	0.6
101.02460	4.5
109.06586	2.1
111.00901	0.5
111.04526	0.7
113.02460	2.8
119.03556	0.9
121.02936	0.8
123.08254	0.5
125.02419	0.6
125.06086	0.8
125.09752	0.6
126.90398	1.1
134.03732	0.7
135.08215	4.1
137.09723	1.3
143.07150	1.1
149.09758	0.6
160.01578	0.6
161.04553	1.5
163.07602	1.1
163.11328	3.5
165.12900	1.9
171.10284	3.2
175.04050	0.8
176.53438	0.5
179.05666	0.7
181.08739	41.6
182.09027	1.2
191.10805	1.1
193.05112	0.8
197.99315	0.5
199.09816	4.4
207.10152	0.7
209.11858	100.0
209.45097	0.4
210.12178	3.5
219.10219	0.7
225.11386	0.7
227.12939	11.6
235.08281	2.0
247.13405	1.0
253.09320	10.2
254.09627	0.6
283.02499	0.6
348.82660	0.4
373.20200	0.8
422.14249	0.5
433.95419	0.5
445.20981	0.7
609.29187	1.1
645.20117	0.6
645.37030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49347	19.2
61.80131	21.6
61.98836	21.2
70.96984	24.1
72.60610	19.9
107.34500	21.7
119.04369	20.5
135.04575	26.5
148.08102	25.1
166.50598	20.6
184.76985	19.1
191.05620	100.0
209.11797	63.2
227.12813	20.7
295.76352	23.5
299.38553	22.7
552.39075	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00517	23.0
61.98831	47.9
92.79817	23.1
98.22646	41.4
118.70522	22.9
152.99677	24.4
169.49434	24.5
209.11858	100.0
227.12943	52.1
307.19006	40.2
438.66690	22.9
468.45428	24.9
511.04266	26.2
665.30383	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	645.3499
Annotation	Cussoside B
Peak:m/z	Relative Intensity
51.27158	0.6
55.01877	1.6
57.03439	1.8
58.00596	0.8
58.93120	0.6
59.01385	68.2
61.98841	5.8
65.13898	0.6
71.01389	32.5
72.99313	1.5
73.02965	6.1
73.20763	0.6
81.03433	0.8
82.95424	1.3
83.01404	4.2
83.05038	4.1
85.02958	11.8
87.00884	1.5
89.02453	24.0
92.48133	0.6
93.03520	0.6
95.01403	2.9
96.96001	1.0
99.00889	2.2
99.04541	0.7
101.02451	23.6
109.06624	1.3
111.00886	3.8
113.02462	11.1
119.03522	9.7
121.02956	2.6
124.80799	0.7
125.02444	1.0
131.03470	1.1
135.08133	1.5
137.09660	0.7
143.03519	1.5
143.18085	0.6
151.07703	1.1
159.02974	1.0
161.02478	1.5
161.04572	2.6
163.11267	1.6
171.10361	1.2
175.03958	1.2
179.05600	3.1
181.08714	12.4
198.12520	0.7
199.09731	1.7
209.11848	29.3
210.12103	1.3
219.53711	0.6
227.12889	4.1
235.08289	1.4
253.09280	3.6
268.79120	0.6
335.22205	2.0
474.05042	0.6
483.29752	4.5
577.34222	0.7
627.38361	0.7
645.34998	100.0
646.35266	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	646.324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01724	0.6
61.98837	10.1
67.91737	0.5
68.71778	0.5
69.17305	2.9
71.01376	2.7
72.90921	0.5
73.02968	0.4
85.02949	0.6
87.00919	0.5
88.98823	0.7
89.02462	1.6
93.03468	1.0
96.96040	1.4
101.02470	2.1
111.00926	0.7
113.02465	0.8
121.02962	17.1
137.02496	2.1
150.03314	0.5
160.04062	0.6
163.05312	0.5
175.04004	0.6
178.02774	0.5
209.11790	1.3
281.36591	0.5
383.01224	1.4
550.24280	2.3
558.11694	1.1
568.25824	0.8
586.27039	0.8
646.13934	0.6
646.38367	3.0
654.02734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52047	1.5
55.54544	2.0
57.03453	1.7
59.01386	44.3
61.98833	18.6
64.44273	1.9
65.00340	2.0
65.99855	10.2
71.01389	17.1
73.02959	3.8
82.95431	3.2
83.01397	3.5
83.05029	5.5
84.04129	1.6
85.02965	6.8
87.00866	3.1
89.02467	13.6
93.03429	8.7
96.96048	2.1
99.00898	1.8
101.02473	10.2
111.00891	2.7
113.02467	5.6
115.44110	1.5
118.03010	7.9
119.03516	5.7
121.02974	3.1
123.00861	2.5
131.01390	4.2
131.03577	2.1
136.04018	5.2
136.98781	2.8
137.02452	15.0
142.02998	5.1
143.01447	2.2
145.02962	3.8
147.00908	8.0
147.04521	2.5
149.02443	3.0
153.85539	1.8
154.03008	3.1
158.02489	3.1
160.04031	1.8
161.04523	2.5
163.11316	2.1
163.99921	17.5
170.02470	7.4
171.00905	4.5
171.10378	2.1
172.04034	4.4
173.02426	8.3
175.00363	3.7
179.05618	5.6
179.98326	2.3
181.08719	10.2
182.02528	3.4
182.09052	5.2
183.00911	6.0
186.01999	6.7
191.58456	2.1
198.01917	12.2
199.00372	4.6
199.09738	1.8
200.03639	2.2
201.01935	6.6
201.11359	36.7
202.99881	7.5
209.11844	55.2
209.13734	3.9
210.02013	8.1
210.12140	12.7
211.00426	8.1
211.12552	2.2
214.01566	3.1
226.01480	13.9
226.99759	3.6
227.12881	7.6
228.03036	6.3
229.01385	2.9
242.01038	8.8
242.99266	3.7
243.01576	2.1
244.02618	2.9
253.09348	5.4
254.00958	15.4
255.03008	2.5
270.00452	34.8
272.01895	9.5
283.02646	10.1
285.03992	5.5
286.03601	2.1
297.99951	76.3
299.00607	4.2
302.02850	2.5
304.04727	2.0
330.02649	7.3
333.02823	4.3
337.02286	4.1
348.05200	25.7
350.03061	2.7
352.04617	2.4
361.02206	5.3
367.03036	1.9
374.02649	2.4
376.04712	9.7
382.05399	1.9
392.04153	27.7
418.01984	13.7
420.03421	2.6
424.06705	2.8
434.04752	2.1
450.04712	3.8
451.08078	3.3
452.06284	2.9
455.27417	1.9
477.06006	9.0
492.05981	1.9
495.06851	100.0
496.07156	5.4
509.08206	10.4
527.09479	34.4
615.09039	30.4
616.09326	3.0
646.37921	5.5
647.15875	3.7
647.37524	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	647.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	93.0
61.98836	48.5
69.09612	15.3
69.10015	21.4
71.01389	45.0
73.02942	10.5
82.95416	19.3
83.01368	7.4
83.05030	5.8
85.02938	14.1
89.02442	22.2
93.03445	14.4
95.01423	4.8
95.90124	5.0
97.02951	5.3
101.02442	20.4
105.21445	5.9
109.06644	5.2
111.00901	13.3
113.02457	17.0
116.92853	10.4
125.02423	5.5
125.06071	7.8
133.01683	9.9
134.02493	35.2
136.04039	18.1
137.02417	19.4
139.04025	6.2
144.04602	5.6
162.01906	5.2
171.10254	7.6
181.08647	6.5
182.02336	5.2
184.03983	7.2
185.02422	7.6
201.11343	19.6
209.11790	28.4
210.01955	15.2
210.12149	6.1
211.00322	5.4
212.03584	49.1
226.01538	12.3
227.03761	5.4
227.12961	10.0
228.03046	26.8
248.56355	6.8
249.28482	6.9
254.00902	22.5
255.03052	10.0
256.02454	7.5
282.00397	15.1
283.02420	8.2
284.02081	18.6
297.02493	7.4
299.18945	5.9
305.03284	6.5
314.02994	34.5
316.04785	30.6
319.02493	19.5
321.04166	6.1
324.04941	6.9
331.21796	5.8
333.02872	7.4
346.03525	13.9
347.01889	29.3
361.02191	19.0
362.03043	10.9
374.03009	12.3
376.04654	45.6
390.02411	20.2
392.04105	14.3
418.02121	100.0
419.02579	6.0
420.03531	11.7
424.06812	51.7
434.05203	9.5
437.17917	6.4
450.04684	86.6
477.05902	20.3
495.07480	12.4
534.66241	37.6
539.07495	10.2
550.67651	47.8
551.18304	5.8
571.09851	12.9
615.09039	21.3
646.38159	12.4
647.11407	69.5
647.37689	11.6
648.12476	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	647.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97745	0.3
57.19701	0.3
59.01384	10.9
61.98831	3.1
63.02110	0.4
63.02412	0.6
65.00010	0.4
65.00336	0.5
66.44140	0.3
68.13036	0.3
70.31058	0.3
71.01383	3.3
71.44996	0.4
73.02950	1.0
73.61732	0.3
82.95437	0.6
83.01385	0.9
83.05018	0.5
85.02943	1.3
87.00858	0.4
89.02438	2.4
93.03446	0.3
96.96002	0.6
99.00902	0.3
101.02435	2.1
102.02782	0.3
107.01411	0.7
111.00883	0.8
111.33632	0.3
113.02439	1.1
117.03487	1.5
119.03466	0.4
119.04987	0.3
121.02962	0.7
131.03452	0.7
134.03745	0.6
142.66896	0.3
145.02972	0.3
149.04555	0.8
151.00394	2.0
155.04996	0.3
159.04538	0.8
160.01707	0.3
161.04552	0.3
171.04555	0.6
179.05600	0.4
183.04524	5.3
185.02455	1.1
191.05646	0.4
193.05031	0.3
197.02461	0.4
198.03247	0.3
199.04070	0.4
201.11240	0.4
209.11815	0.6
211.04007	3.1
225.01886	0.4
226.02704	0.7
227.03519	3.6
252.03085	1.1
255.02994	51.5
256.03342	1.2
282.01749	0.6
283.02496	100.0
284.03009	4.0
285.04037	9.4
286.04370	0.4
340.83029	0.3
350.18924	0.3
383.07367	0.4
399.07004	0.9
418.05881	0.5
443.09949	0.7
449.27621	0.6
459.09421	1.7
471.09412	2.9
472.10138	48.7
473.10825	11.0
501.10583	0.4
517.30267	0.3
587.13873	1.7
587.30341	0.4
588.14362	0.4
615.12506	0.9
646.39105	2.4
647.16193	32.5
647.33038	1.1
647.39252	1.0
648.15918	2.4
651.26160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68941	0.3
57.03453	0.8
59.01385	10.4
59.42415	0.4
61.98836	5.6
65.00327	0.9
71.01381	3.6
73.02940	1.0
81.03470	0.4
83.01392	0.9
85.02945	1.3
87.00900	0.7
89.02456	3.3
93.03455	1.0
98.22614	0.9
99.00883	0.9
101.02438	2.8
107.01390	1.1
110.02481	3.5
111.00883	0.5
113.02471	1.5
113.77051	0.4
114.93465	0.6
117.03476	0.8
119.03479	1.0
121.02960	0.8
123.04429	0.5
125.09758	0.5
130.31664	0.4
131.03537	0.5
139.69592	0.4
140.10835	0.7
141.01688	1.0
143.05063	0.7
149.02470	0.7
149.04541	0.6
149.06232	0.4
151.00343	2.4
151.03996	0.7
155.05089	0.4
159.04530	1.1
161.04526	0.8
167.07126	0.9
171.10342	0.5
173.06099	0.6
177.01932	1.2
179.05623	2.6
181.08720	0.9
182.03772	0.6
182.08994	0.6
183.04526	4.7
185.02425	0.6
185.06079	0.6
199.09724	0.4
201.11327	3.7
209.11855	6.2
210.12151	2.4
211.04027	2.9
211.12447	0.4
227.03481	7.0
227.12924	1.3
227.75006	0.4
231.81279	0.4
253.09264	1.1
255.02997	51.2
256.03497	1.7
257.04584	0.5
283.02487	100.0
284.03152	7.8
285.04056	23.3
285.07376	0.7
286.04395	0.6
287.04413	0.6
417.08206	1.3
495.06912	1.0
514.11169	29.7
515.11969	33.2
516.12415	1.8
615.09595	0.5
646.38416	1.7
647.16364	40.0
647.33630	1.4
648.17310	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	647.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.5
57.03439	1.0
59.01383	24.2
60.01720	1.1
61.98836	4.2
67.61749	0.3
69.03456	0.4
69.11395	1.6
69.11816	1.1
71.01389	4.9
73.02958	1.2
82.95432	0.8
83.01394	1.1
83.05031	1.6
85.02961	2.6
87.00886	1.0
89.02447	2.9
90.61729	0.4
93.03474	0.8
95.04999	0.5
97.06563	0.5
101.02448	4.2
107.01405	1.0
109.06586	0.6
111.00864	1.2
113.02472	1.7
114.93421	0.9
116.92863	0.7
117.03471	1.1
119.03513	0.7
121.02964	1.3
125.02377	0.5
125.06200	0.5
125.09718	1.0
127.11298	1.0
131.03468	0.6
134.65317	0.4
135.08121	0.4
137.09683	0.4
149.04596	0.7
151.00360	1.7
155.10768	0.5
159.04562	0.8
160.04030	0.5
161.04605	1.0
163.11258	0.7
165.12692	0.4
169.06612	0.5
171.10295	1.0
181.08730	1.4
182.09038	0.5
183.04544	2.9
185.02460	0.7
195.06641	0.7
201.11337	15.4
209.11839	14.9
209.13721	0.9
210.12230	1.5
211.03992	2.9
213.05644	0.8
215.19798	0.4
227.03532	3.2
227.12891	1.9
235.08208	0.7
253.09319	2.5
255.02995	44.2
256.03516	1.5
283.02493	100.0
284.02957	4.2
285.04089	12.4
286.04471	0.5
333.15234	0.4
430.09055	35.4
431.09647	5.0
439.97403	0.5
462.03207	0.6
467.08084	1.7
475.15137	0.5
485.23923	0.8
501.10428	4.4
587.30499	0.5
599.34387	1.1
600.35199	1.2
601.34961	0.7
605.14807	0.6
646.37640	1.6
647.16229	46.0
647.34393	3.4
648.16364	3.2
648.35901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.2
61.98816	0.6
63.02414	0.4
65.00331	0.6
70.51773	0.6
81.19069	0.3
93.03491	0.4
107.01364	0.7
117.03488	1.1
121.02934	0.7
128.03514	0.4
151.00359	1.6
156.25531	0.3
159.04517	0.9
171.04544	0.4
182.03767	0.6
183.04527	3.9
185.02425	0.5
207.01744	0.4
211.04039	2.7
226.05122	0.4
227.03484	2.6
239.03523	0.4
251.02313	0.9
255.02989	45.7
256.03412	1.2
283.02487	100.0
284.02869	2.4
285.04095	4.7
403.03442	0.6
429.08322	1.7
430.09055	52.1
431.09702	3.6
441.07990	0.5
450.08325	2.1
501.10324	1.8
545.12653	0.7
587.14075	0.7
647.16156	37.0
648.16418	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	647.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00958	0.3
58.98402	0.2
59.01385	36.6
60.01703	1.4
60.99314	0.3
61.98833	8.3
61.99136	0.6
63.02404	0.4
63.10067	0.2
64.24477	0.3
65.00357	0.4
68.47878	0.2
71.01381	2.4
73.02939	0.6
82.95418	0.4
83.01394	0.5
85.02950	0.8
85.06602	0.3
86.03346	0.3
87.97184	0.3
88.98831	1.3
89.02456	1.4
93.03491	0.7
96.96031	0.4
101.02458	1.5
102.28127	0.2
107.01409	0.8
109.02987	0.3
111.00896	0.5
113.02458	0.7
114.23888	0.3
115.00845	0.3
116.92899	0.3
117.03460	0.7
118.48737	0.2
119.03527	0.4
121.02966	4.3
122.03288	0.6
125.02509	0.3
127.05176	0.4
131.03511	0.4
136.94568	0.3
143.09370	0.3
145.06270	0.6
151.00349	1.9
155.05034	0.4
159.04562	0.8
183.04507	3.2
185.02438	0.7
194.98276	0.3
199.04056	0.4
211.04034	2.5
213.32481	0.3
226.02768	0.3
227.03517	2.6
239.03584	0.4
255.03004	45.2
256.03494	1.3
283.02493	100.0
284.02948	3.7
285.04053	5.2
291.18338	0.3
401.08591	0.3
429.08200	1.8
430.09070	47.2
431.09598	3.7
441.08292	0.7
479.21225	0.3
501.10379	4.0
554.23370	0.6
555.24316	0.8
569.25092	0.3
570.94836	0.3
579.30194	0.6
587.13940	1.5
609.27466	0.6
646.38409	0.8
647.16217	30.9
647.39020	1.9
648.16681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17563	0.8
55.01883	1.0
56.86695	0.8
57.03449	1.8
59.01384	53.7
61.24767	1.0
61.98827	1.6
69.14436	5.7
71.01387	28.3
73.02940	2.7
83.01397	10.3
85.02962	7.3
87.00878	1.2
89.02454	22.0
93.03440	0.8
95.01409	1.6
96.96049	1.0
101.02460	16.4
106.06631	6.7
111.00900	5.4
113.02477	8.5
119.03524	7.8
121.02932	1.3
122.06126	2.6
123.12083	0.9
130.06628	1.8
131.03598	1.3
132.04526	1.8
132.08195	3.5
133.66460	0.9
134.06134	44.6
137.06094	3.0
149.02425	1.2
152.07210	5.0
156.08199	12.9
157.05357	1.0
158.06133	4.8
160.01694	1.5
160.04051	2.8
161.02446	1.1
167.03481	1.1
171.06775	0.9
172.04155	1.3
172.07651	7.3
175.04028	1.8
176.03433	1.5
179.05659	1.2
182.06125	1.8
184.07697	3.2
185.04836	1.7
190.02655	2.0
190.05177	1.0
191.03505	1.5
191.05612	1.2
197.04729	1.5
198.05583	3.0
200.07188	52.0
201.07500	1.4
204.06718	1.6
205.05141	4.5
212.07196	9.5
216.06635	1.8
221.08130	1.4
223.06140	2.8
226.05093	3.6
232.09782	24.1
244.06023	1.2
244.09827	3.3
256.05975	1.6
258.07748	2.6
265.07248	1.8
276.08682	4.1
303.14783	1.9
305.12537	1.2
314.12534	4.0
319.14542	3.1
347.14050	9.2
351.17081	1.7
373.11890	2.2
379.16650	8.2
388.71835	0.9
405.14124	1.1
423.15564	2.7
485.16583	5.9
513.66278	1.0
527.20447	15.5
531.23438	1.3
553.17975	3.6
559.23010	28.1
560.23608	1.9
571.19342	14.1
575.22668	2.0
585.20874	17.1
586.21570	1.8
603.22015	100.0
604.22217	7.2
615.18463	6.3
647.20966	30.9
648.21094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03445	2.3
59.01386	100.0
61.98836	10.4
71.01387	50.8
72.99324	1.9
73.02940	7.9
81.03471	1.4
82.95438	1.3
83.01386	3.3
83.05042	2.7
84.71683	1.2
85.02962	13.7
87.00883	4.3
89.02454	60.3
93.03466	2.3
95.01379	4.0
96.95982	1.0
97.02959	2.1
99.00898	8.9
101.02453	33.7
111.00898	1.3
113.02465	20.2
119.03513	24.4
121.02943	1.4
125.02441	3.3
126.90402	1.6
128.90166	2.2
131.03511	4.9
131.58339	1.3
131.64000	1.0
137.02452	1.9
143.03532	6.3
149.04596	8.6
153.09291	1.1
161.04591	7.8
163.99904	1.7
179.05624	37.6
181.08710	3.4
182.09045	2.1
183.04512	2.5
191.05605	2.6
199.13542	1.4
201.11339	31.1
209.11853	41.0
210.12181	5.6
211.03951	2.0
213.05565	1.4
226.01547	1.2
227.12843	5.4
235.08202	1.9
253.09216	5.3
254.00990	1.7
255.03036	24.5
256.03271	1.5
270.00467	3.9
283.02509	50.9
284.02991	5.0
285.04068	32.9
285.06528	0.7
286.04349	3.7
293.08774	1.4
297.99899	8.3
311.09863	4.2
348.05048	2.3
353.10910	11.8
362.30603	1.3
392.04068	2.5
413.12903	3.7
451.07639	1.4
467.22531	1.4
472.10165	10.0
473.10944	24.7
474.11172	2.2
485.23929	8.9
495.06720	8.0
511.10107	1.7
527.09222	2.8
615.09045	2.6
647.15948	14.8
647.29254	60.3
648.16663	1.9
648.29163	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	647.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03754	1.1
55.01880	1.6
59.01386	55.1
60.99504	1.2
69.03462	2.4
69.78133	1.1
69.78479	4.4
71.01391	36.2
72.99307	2.4
73.02962	7.2
73.40346	1.3
79.34243	1.2
81.03474	1.3
83.01399	7.1
85.02944	7.3
87.00889	10.8
89.02454	31.5
91.04025	1.3
95.01373	3.6
97.02997	5.6
98.21994	2.0
99.00896	2.0
100.72875	1.1
101.02455	34.1
110.50192	1.0
113.02458	16.0
119.03529	11.3
121.03023	1.2
125.02458	14.1
131.03525	1.8
141.01950	1.4
143.03506	5.7
149.04506	1.3
161.04585	13.4
173.96463	1.3
179.05571	7.2
221.06760	1.8
221.54352	1.3
235.08276	11.3
247.22688	1.1
249.18620	100.0
250.18861	2.7
253.09268	10.0
263.07739	1.9
287.07733	2.4
305.08844	3.1
323.09897	2.1
379.12161	1.6
383.27444	1.2
397.13544	82.3
398.13501	2.6
415.09305	2.4
415.14612	36.6
451.54803	1.2
471.40579	1.3
553.89343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36875	57.6
60.98730	54.6
61.67694	66.5
78.20108	55.1
79.51323	55.7
82.48177	52.0
170.06506	56.8
193.27534	68.8
209.11830	92.9
237.57350	60.6
242.92343	53.8
245.06296	54.7
260.49323	57.0
308.07376	55.0
352.57449	68.1
521.23993	65.9
647.35931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03448	1.9
58.52672	0.8
59.01387	100.0
59.03706	0.7
61.98835	22.8
62.06168	0.7
67.01878	0.9
71.01389	54.5
71.40440	0.7
72.99326	2.2
73.02956	6.4
75.00872	1.3
75.43604	0.7
75.87828	0.8
82.95431	1.2
83.01380	4.3
84.95113	0.8
85.02959	13.7
87.00881	3.0
88.98837	1.3
89.02456	41.5
94.98003	0.8
95.01376	3.6
96.96043	2.6
98.95642	1.2
99.00901	2.2
99.92562	0.9
101.02451	25.9
109.02979	1.5
111.00889	2.2
113.02457	18.6
116.92861	1.1
119.03519	17.0
119.05000	1.1
121.02938	2.5
123.04504	1.1
125.02480	1.3
127.05126	0.9
128.03613	1.4
131.03526	1.7
135.04503	0.9
137.02437	0.9
143.03506	3.1
145.06221	2.3
149.04529	1.8
159.03075	1.3
160.01718	1.0
160.04121	0.9
161.02370	1.0
161.04579	5.9
163.04031	1.6
175.03975	0.8
179.05632	6.4
184.04532	0.7
191.05711	1.0
193.05095	1.3
209.11830	1.0
255.03017	4.1
283.02576	3.3
285.04010	2.6
299.02176	0.9
408.05432	0.8
463.89569	1.1
467.30435	1.1
473.11270	2.4
485.31448	10.2
629.36914	0.9
647.36731	99.8
648.37122	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	648.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98833	82.6
69.16195	37.1
71.01376	28.9
73.02965	7.9
75.00867	6.8
83.05019	7.1
85.02960	16.8
87.00872	6.4
89.02435	23.8
96.96024	7.7
101.02443	21.1
102.69862	4.6
111.00853	7.3
113.02443	13.6
115.60798	5.2
116.92890	46.9
119.03469	11.2
141.01822	6.2
161.04523	5.8
171.10321	7.2
179.05618	14.3
201.11314	22.9
209.11967	26.1
210.12267	8.5
283.02618	6.3
413.29318	6.1
433.42319	5.5
459.29706	11.7
550.67291	14.4
647.36420	10.2
648.19519	16.5
648.40222	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	648.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98829	0.9
69.11871	6.0
71.01381	1.1
76.44434	0.8
82.95412	0.9
89.02470	1.0
92.02679	2.8
93.03469	42.4
94.84158	0.9
96.96045	1.7
108.02155	2.7
112.98506	0.8
114.59977	0.8
120.02153	1.0
121.02973	4.7
136.01715	3.0
137.02463	67.7
138.02797	1.1
169.05367	0.9
177.05531	1.0
271.02530	1.4
299.02121	1.3
373.70844	0.9
442.18701	3.5
494.21939	0.9
499.22110	1.6
503.08667	0.9
588.24487	19.6
606.25696	1.8
648.26648	52.7
649.26819	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	56.3
59.38992	13.9
61.98839	100.0
62.26112	12.9
66.17503	13.3
70.65331	20.9
71.01394	18.3
73.64000	13.6
81.88393	11.8
101.02435	19.4
141.39664	15.1
150.94427	12.4
165.01033	12.9
191.05632	17.2
536.74884	13.8
610.82654	19.8
638.86853	14.7
648.30481	17.6
648.40698	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	648.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15931	0.2
58.31486	0.2
59.01386	100.0
60.01716	0.4
61.98848	0.3
66.34127	0.2
69.16899	1.1
89.38353	0.2
98.21860	0.3
101.02471	0.2
114.23682	0.2
121.02953	1.1
141.02580	0.2
167.28300	0.2
255.03036	0.2
256.03333	0.4
283.02673	0.7
284.02979	0.7
306.22150	0.2
324.36142	0.2
388.38272	0.2
430.09238	0.3
431.09619	0.5
623.28577	0.2
648.17090	0.5
648.28656	0.2
648.39270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06601	0.2
59.01384	100.0
60.01718	0.8
61.88169	0.2
69.34430	0.3
69.34834	0.7
71.01389	0.3
79.60817	0.2
85.96581	0.2
93.78370	0.2
96.96025	0.7
98.89877	0.2
111.00890	0.4
121.02979	3.0
123.30663	0.2
142.69447	0.2
151.00453	0.3
166.12201	0.2
172.87770	0.2
178.94968	0.2
180.03120	0.7
215.03551	0.2
227.03453	0.2
241.01550	0.4
242.02284	0.6
255.03159	0.4
270.01813	0.6
271.02426	1.4
291.69516	0.3
298.01227	0.6
299.01981	2.3
445.07916	2.2
446.08850	0.2
503.08493	1.8
648.29590	0.9
649.14490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49413	0.9
59.01383	14.7
60.57261	1.0
61.98834	8.5
65.99856	1.2
68.30970	0.9
69.03477	1.9
71.01384	5.2
73.02935	1.9
82.95438	1.3
85.02994	2.0
87.00903	1.3
89.02454	3.3
98.22673	3.4
101.02464	4.7
107.01414	1.5
108.99293	0.9
111.00861	1.5
113.02441	1.5
116.92875	3.7
117.03482	1.4
118.03002	21.0
119.03447	1.6
120.00944	1.4
121.01622	1.0
121.02981	2.0
122.02479	6.6
123.03284	21.7
124.04034	1.9
125.02445	1.5
125.03891	1.1
133.01709	15.3
134.02490	28.2
134.26157	1.0
135.00887	3.1
136.00409	3.5
138.01953	2.8
141.03476	1.2
145.02954	3.3
148.00409	2.2
149.01210	4.2
149.04572	1.5
150.01920	2.2
153.01965	1.4
160.04028	2.1
161.02409	2.2
163.99915	3.7
164.03592	1.2
168.04515	1.6
169.03000	1.8
170.02527	1.4
171.10335	1.5
177.01926	1.2
180.03041	30.7
181.08667	1.3
183.03227	1.2
184.01630	2.8
184.04031	7.2
185.02472	6.6
197.02557	2.2
200.03656	1.8
201.01936	2.5
211.02710	1.4
212.01468	2.0
212.03520	17.3
213.01958	9.7
213.04294	3.6
214.02696	2.9
225.04309	3.6
226.04942	1.5
227.02184	2.3
228.00784	2.2
228.02971	12.1
229.01445	11.4
234.05432	1.8
236.03500	1.4
239.02281	1.2
240.00674	2.1
240.03021	16.2
241.01407	7.0
241.03835	14.1
242.02324	1.6
242.04581	4.9
243.05379	19.4
247.06584	1.1
255.01402	5.0
256.00290	1.8
256.02518	38.0
257.00906	19.4
257.03354	6.5
258.01706	1.6
258.05197	1.4
258.07706	18.3
262.05200	1.5
264.02991	1.3
268.04843	1.4
269.03290	4.5
270.04092	3.2
271.02368	5.2
273.04068	2.8
274.05087	2.3
284.02139	9.6
284.05380	1.5
285.02661	7.0
286.03409	8.4
291.05453	1.9
300.01474	5.5
301.02579	1.6
301.08017	1.8
302.04410	3.9
303.05374	1.7
304.06155	2.2
306.04071	2.3
307.04990	1.3
314.03214	3.3
316.04675	17.4
316.08215	2.0
317.05328	3.1
318.03760	1.7
319.05093	1.3
320.05563	1.3
330.03979	4.5
331.04736	2.1
332.05341	1.3
346.03476	1.3
347.04404	2.4
349.06067	2.1
358.03522	2.9
369.82339	1.2
374.02975	1.9
375.03888	3.3
377.03067	2.9
379.07028	1.4
390.06198	3.4
391.04114	1.6
408.07129	2.5
419.02875	7.0
420.03549	6.6
434.05167	5.5
437.10333	1.1
496.08640	1.5
514.10248	3.0
529.12732	9.9
530.11151	8.1
542.07025	1.2
555.10382	1.2
558.09247	4.1
573.11530	100.0
574.11395	5.3
585.07947	23.2
617.10516	92.2
618.10663	5.4
648.39630	3.9
649.18134	1.2
649.35168	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	649.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.3
71.01395	4.1
71.44059	1.0
71.44427	1.7
72.99339	1.7
73.02948	5.6
75.00872	21.5
85.02953	1.8
87.00883	7.1
89.02475	4.6
93.03477	1.4
96.96027	1.9
101.02441	1.7
103.00405	1.3
117.01952	11.9
117.03388	1.2
119.05038	43.2
134.03773	2.9
135.03008	80.1
144.98207	0.9
145.03003	2.3
149.00902	1.3
149.06081	2.4
156.19139	1.1
160.01686	1.7
161.02415	2.1
163.04021	100.0
164.04341	1.6
173.04425	1.1
175.04019	2.8
179.03479	1.3
191.05646	3.7
193.05077	6.6
197.58759	0.9
226.06383	2.4
227.07228	1.8
235.06172	1.5
281.06738	22.6
295.08136	1.2
297.50372	1.0
355.10291	1.4
487.13394	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	649.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.03434	1.6
57.84018	0.8
59.01386	64.2
61.98830	0.9
69.13464	5.2
71.01388	29.4
72.99301	1.3
73.02950	6.2
83.01382	3.8
85.02475	0.9
85.02958	10.7
87.00885	2.0
89.02454	18.8
91.94649	0.9
93.03463	1.1
95.01366	2.5
95.05022	1.3
96.95985	1.6
99.00899	2.1
99.04498	2.6
101.02457	21.3
107.05000	2.2
113.02467	12.0
113.66356	0.8
119.03513	5.8
119.05021	1.8
120.05785	1.8
121.02936	1.2
131.03484	0.9
133.02992	1.4
135.04503	1.8
137.02464	1.2
143.03516	1.4
149.04495	1.0
150.40378	0.8
157.06549	1.2
159.11786	1.5
161.04593	6.8
161.09760	1.5
161.13376	16.2
163.04037	0.9
169.10205	1.7
179.03455	1.0
179.05524	2.4
187.11301	42.5
205.12346	21.7
221.04724	0.9
229.12265	2.0
231.10236	4.1
237.09801	17.2
241.90675	0.9
247.13422	0.9
249.11473	4.4
271.02408	2.0
287.05222	0.9
299.01865	4.2
337.09180	1.0
411.16721	1.6
425.21896	7.1
469.20813	100.0
470.21082	4.9
611.32001	0.9
649.26990	34.7
649.35962	1.5
650.26917	3.6
650.36786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77920	0.9
55.01868	1.7
55.10942	1.0
57.03438	2.5
58.00584	1.3
59.01384	69.7
61.98823	3.3
71.00410	1.5
71.01386	37.6
72.99324	1.4
73.02952	6.8
74.11160	1.0
75.00890	1.2
79.05530	1.8
83.01375	4.1
85.02963	10.7
87.00860	2.6
89.02454	20.7
93.03458	1.2
95.01399	4.0
95.05053	2.5
96.96014	2.7
97.06573	1.3
99.00901	2.6
99.04518	3.0
101.02457	24.9
102.10135	1.1
104.53704	1.2
107.05059	2.6
109.02937	1.3
111.00880	3.2
113.02461	13.9
119.03474	7.5
120.05821	1.5
121.02966	1.5
125.02377	1.2
134.03722	2.0
137.02394	2.0
145.03043	1.4
145.06245	1.2
151.00352	1.7
157.06488	1.3
159.02943	2.6
159.11804	1.6
161.04585	8.5
161.09734	2.3
161.13380	18.3
169.10223	1.3
175.04027	2.3
178.02734	1.2
179.05582	2.3
187.11302	39.6
193.05110	4.3
193.62302	1.1
197.04486	1.9
199.04005	2.2
200.15892	1.2
205.12323	21.5
206.12694	1.4
215.03552	1.4
227.03491	2.3
229.12328	2.0
231.10242	4.8
237.09789	18.8
242.01924	1.4
243.03000	2.5
249.11385	5.3
249.83983	1.0
255.03030	1.4
270.99594	1.6
271.02502	30.9
272.02881	1.9
299.01984	56.3
300.02399	3.5
301.03522	7.9
337.09195	1.3
355.12671	1.2
425.21829	5.3
445.07800	1.8
469.20819	100.0
470.21182	4.4
474.08044	25.7
475.08667	10.7
506.72693	1.4
531.15057	1.3
552.14832	1.6
649.14191	24.1
649.27118	33.7
650.14636	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	649.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.3
56.91751	0.8
59.01385	100.0
60.01719	4.3
60.90870	0.7
61.98835	3.2
63.65322	0.7
66.46208	0.7
69.73172	2.4
69.73521	1.1
71.01392	15.5
72.99337	1.5
73.02964	3.4
75.00911	0.8
83.01402	1.4
85.02962	6.9
87.00869	1.9
89.02460	7.3
95.01440	1.1
96.95988	1.1
98.22552	0.9
99.04588	0.9
101.02448	10.1
107.05102	0.8
111.00923	1.4
113.02466	5.3
116.92889	1.1
119.03547	3.0
119.05055	0.7
119.82181	0.7
121.02945	0.9
125.63595	0.7
129.02080	0.8
131.03535	1.1
134.03857	0.9
138.02042	1.3
144.27467	0.8
145.08644	0.7
153.79031	0.8
161.04559	4.3
161.13370	5.0
179.05736	1.7
180.98460	1.7
187.11299	15.6
187.12827	1.2
205.12369	7.6
211.06192	0.9
213.01193	1.1
231.10423	1.8
237.09776	5.4
249.11394	2.2
253.04784	1.5
255.03143	1.2
271.02701	1.5
284.03424	1.7
299.02185	2.8
307.55087	0.7
344.96548	0.8
354.04251	0.8
402.78043	0.7
425.22034	1.5
469.20834	42.3
470.21600	2.2
537.04010	0.8
648.39734	1.3
649.15668	1.6
649.27106	18.9
649.38617	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	650.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04432	1.4
53.28890	1.4
57.03429	2.2
57.20309	1.4
57.31695	1.5
58.02963	2.8
59.01384	25.0
60.96922	1.7
61.98835	58.6
63.38572	1.5
66.03512	1.5
71.01395	10.8
73.02953	5.7
73.86848	1.7
74.02462	6.9
82.00590	1.8
82.03008	1.8
83.01389	4.3
83.05023	1.7
85.02940	4.6
86.02587	1.7
86.75450	1.6
87.00873	3.1
88.98833	1.6
89.02453	6.6
96.04549	10.8
96.96008	2.1
97.04073	4.2
98.02497	3.3
99.00880	2.4
99.05639	4.2
99.79566	1.5
100.00367	3.0
100.93314	1.4
101.02457	8.5
108.04546	5.5
109.04082	2.5
110.02457	4.3
111.00863	2.5
111.01987	2.8
112.04062	3.2
112.07683	4.2
113.02451	4.7
113.03565	2.4
113.52086	1.5
116.92855	4.0
117.13559	1.5
119.03456	3.0
119.05013	2.0
121.02953	4.3
121.54858	1.6
122.06129	4.8
124.04037	7.1
124.99425	3.6
125.03579	11.7
126.05588	2.0
127.05116	2.8
133.01689	3.2
134.02446	2.1
134.03748	3.0
135.04539	2.5
137.07242	8.2
138.05658	3.5
139.04063	1.6
139.05138	5.4
140.07166	1.9
143.04602	4.1
145.03004	1.7
147.05632	6.0
148.04076	2.5
150.01971	1.9
151.05133	3.5
152.03531	5.3
155.08249	6.2
160.04123	2.1
161.04474	2.1
163.05148	3.1
165.06718	22.5
166.05063	1.7
175.03941	2.5
178.01419	4.1
179.04541	3.6
180.98366	12.2
181.06201	10.7
182.80394	1.8
191.04601	4.6
196.00714	10.4
196.02431	3.7
200.19183	1.5
204.36540	1.4
209.05721	13.2
211.02747	3.4
214.01729	1.5
216.01178	2.5
225.05182	37.4
226.05411	1.6
227.06700	6.1
228.03415	8.9
239.02260	3.2
242.53903	1.6
244.00644	5.6
244.99088	2.8
253.04674	100.0
254.04803	5.1
255.02834	4.5
271.05722	83.9
272.00235	17.5
272.05911	2.5
283.02588	5.7
284.02884	4.3
285.03473	4.6
287.02472	7.7
288.00934	2.3
299.01675	2.6
315.99252	13.8
331.01569	72.1
332.01904	2.6
345.99725	2.8
346.03928	42.7
347.04010	2.5
378.06534	74.8
379.06796	2.1
475.10684	3.2
634.44531	1.7
649.33716	5.4
650.16290	3.5
650.33563	3.2
650.41400	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	650.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43386	0.4
53.99705	0.4
59.01385	100.0
69.34465	2.6
71.01398	1.7
75.00864	4.3
76.15056	0.5
77.33279	0.5
89.02499	0.9
102.05458	0.5
107.44000	0.4
107.50835	0.4
121.02976	20.8
127.40108	0.5
145.02914	0.6
151.00400	0.7
177.02011	1.0
255.03069	5.0
271.02527	3.1
281.30203	0.5
283.02496	8.0
285.04135	2.9
299.02072	5.4
301.03580	1.3
313.03952	0.6
406.32272	0.5
446.08362	2.5
447.09589	1.8
468.20328	2.6
480.20453	1.3
489.10507	1.2
505.10095	0.9
522.21350	15.0
523.21991	1.6
540.22363	4.8
650.27356	0.6
650.37842	1.1
651.15668	9.9
651.25751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53122	3.0
59.01383	79.0
60.99323	4.8
68.92329	3.0
69.91654	9.5
71.01389	29.9
73.02938	7.9
75.00890	3.9
85.02957	6.1
87.00882	12.8
88.98801	32.2
89.02448	31.2
98.22541	3.7
99.00912	3.8
101.02445	8.6
103.00385	14.1
113.02467	7.6
123.07493	3.2
127.68323	3.3
130.99854	8.6
131.03534	5.3
134.03767	38.0
148.04050	3.2
149.04518	7.4
149.06100	10.7
175.03960	5.3
178.02673	10.6
182.10788	3.1
189.12537	2.9
191.05653	7.2
193.05072	100.0
197.04637	4.2
205.05153	6.3
227.03615	4.7
255.03000	22.9
283.02527	50.2
284.03198	7.1
285.04074	22.6
311.83444	3.3
325.05554	11.3
429.13919	13.8
446.08893	5.6
489.10391	18.8
501.23236	9.6
519.24225	5.3
651.15881	20.9
651.28809	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98826	1.8
70.96690	0.6
107.01408	1.1
109.02986	1.2
114.39446	0.5
133.02965	0.6
147.00912	0.6
151.00362	3.7
171.04572	0.9
185.06107	0.6
187.04013	0.7
196.53903	0.6
199.04053	3.3
201.02020	0.7
215.03494	1.4
219.77466	0.5
226.02629	0.6
227.03514	2.9
229.05112	0.9
243.03006	3.2
255.02968	4.3
257.04764	0.8
271.02509	48.4
272.02884	1.3
283.02399	3.4
284.03268	1.2
299.01993	100.0
300.02585	7.8
301.03558	19.4
302.03738	0.7
445.07721	2.1
446.08557	35.7
447.09229	11.8
448.09451	0.8
478.89529	0.5
505.09906	7.9
554.73334	0.5
591.13477	1.8
607.87665	0.7
609.14642	1.2
651.15710	50.1
652.15765	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	651.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16883	0.3
59.01381	1.7
63.02417	0.4
65.00336	0.5
68.44291	0.3
68.99368	0.3
69.18867	1.7
83.01372	0.3
93.03478	0.7
107.01418	1.2
117.03466	1.0
132.42160	0.3
133.40356	0.3
151.00410	2.2
155.05043	0.5
159.04536	0.9
167.05080	0.5
171.04530	0.5
179.00255	0.3
183.04523	4.9
185.02470	0.7
187.04057	0.6
199.04012	0.5
208.53154	0.3
211.04033	3.3
213.05539	0.3
215.03677	0.4
226.02740	0.4
227.03500	6.2
229.05000	0.4
255.02998	53.9
256.03491	2.6
269.04565	1.2
283.02496	100.0
284.03171	9.9
285.04050	22.4
286.04437	0.9
297.03973	1.0
298.04919	0.3
298.98199	0.3
299.01849	0.5
303.81299	0.4
326.04373	0.6
327.05008	0.8
429.08224	1.8
445.07855	1.1
446.08548	20.3
447.09311	3.3
489.10416	26.0
490.10794	1.3
531.11407	1.2
591.13483	0.8
651.15680	10.2
652.16077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85979	0.7
65.00339	1.2
70.94731	0.6
93.03498	1.2
105.70886	0.5
107.01398	1.3
151.00380	2.2
155.05008	0.9
159.04555	1.6
160.32735	0.6
169.06619	0.8
183.04509	3.9
185.06160	1.3
187.03961	0.7
211.04007	2.6
214.02705	0.9
227.03551	6.2
229.05103	1.0
239.03523	0.9
243.02802	0.7
255.03021	44.2
256.03619	1.5
271.02478	1.7
283.02512	76.5
284.03113	7.8
285.04077	100.0
286.04523	3.4
297.04044	0.9
298.04980	0.8
299.02045	2.4
327.05081	4.4
341.85983	0.6
383.58798	0.7
429.07901	0.7
446.08533	17.8
447.09329	22.7
448.09650	0.7
473.99057	0.7
489.10434	30.4
490.10724	2.0
531.11621	2.3
646.77954	0.7
651.15747	42.0
652.16113	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	651.1571
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
50.05434	0.7
57.03450	0.6
59.01388	3.7
59.90446	0.6
63.02418	1.0
65.00327	1.2
83.01379	0.8
92.02747	0.7
93.03467	1.1
99.00790	0.8
107.01391	3.2
113.02449	1.0
130.32454	0.8
132.02205	0.7
135.00916	2.0
151.00342	4.1
163.00417	1.3
164.01152	0.9
183.04549	2.8
185.06062	1.2
187.03995	1.6
211.04034	2.9
213.05600	1.3
227.03508	49.1
228.03908	2.5
229.05083	3.8
231.95358	0.7
239.03499	1.2
241.04895	1.0
255.02997	89.6
256.03619	7.0
257.04547	2.5
283.02530	13.3
283.05594	0.6
284.03281	100.0
285.04034	37.5
286.04385	1.9
327.05194	0.8
437.40643	0.7
446.08795	0.8
591.13855	5.3
650.40509	0.9
651.15704	84.8
652.16180	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	651.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
63.02420	0.6
65.00340	0.8
69.21918	2.9
71.04365	0.4
77.58778	0.5
83.01431	0.5
93.03484	1.3
107.01434	1.2
117.03456	1.1
120.09108	0.5
151.00378	1.8
159.04494	1.1
183.04588	4.1
185.06155	1.0
211.04024	2.8
212.91286	0.6
213.05563	0.6
227.03557	5.5
239.03445	0.7
255.03014	51.3
256.03467	2.2
257.04617	0.5
283.02518	100.0
284.03146	10.7
285.04083	70.8
286.04468	3.0
297.04077	0.7
327.05072	2.3
446.08606	15.3
447.09280	10.6
489.10498	15.1
490.10822	1.2
531.11450	1.3
651.15710	31.0
652.15955	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26748	0.3
59.01373	1.5
63.02405	0.7
65.00352	0.7
69.50838	1.8
89.94766	0.5
93.03450	0.6
105.42204	0.4
107.01423	1.4
114.08624	0.4
117.03497	1.0
134.03748	0.7
138.93553	0.4
145.02972	0.5
150.03270	0.5
151.00392	2.3
151.04083	0.6
155.05089	0.6
159.04526	1.0
160.01649	0.5
169.06444	0.4
171.04419	0.5
175.04059	0.5
183.04536	4.0
185.02464	0.7
185.06111	0.5
187.04092	0.4
211.04042	2.7
227.03511	8.7
239.03427	0.8
255.02995	54.0
256.03625	2.9
269.04694	0.4
283.02496	100.0
284.03192	18.9
285.04068	33.0
286.04410	1.4
295.08295	0.7
296.03339	0.6
297.04160	0.9
298.04855	0.6
326.04208	1.3
327.04868	0.7
364.98346	0.5
429.08359	2.6
445.07907	1.2
446.08572	28.0
447.09122	3.8
460.12173	0.4
489.10397	67.6
490.10718	4.0
500.98267	0.5
503.12195	0.5
531.11420	4.9
573.11890	0.5
591.13440	1.1
651.15729	16.5
652.15814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73887	1.1
51.89854	1.1
54.18692	1.0
60.95918	1.1
62.11391	1.0
69.54084	2.9
73.73920	1.0
88.79340	0.9
109.16145	0.9
113.50185	1.2
121.03038	1.1
136.85889	1.1
149.01187	7.8
180.03084	4.2
181.03682	3.1
196.06107	3.0
207.01782	1.5
379.07404	7.0
380.08005	3.0
393.05194	1.3
407.06754	3.5
408.07462	13.3
423.09860	60.8
424.10089	2.4
438.12219	16.1
453.14578	100.0
454.14874	3.2
457.58865	1.1
533.15698	1.8
548.16956	3.8
575.18195	1.9
619.17255	15.5
651.16876	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	651.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
64.88867	1.0
70.07601	1.1
70.95834	0.8
71.01395	5.8
73.02938	0.9
83.01391	1.0
85.02955	2.2
87.00892	1.5
89.02451	6.8
93.03465	1.0
93.67850	0.8
96.96049	1.2
101.02456	5.1
101.03022	0.9
113.02464	2.5
117.03451	1.4
119.03542	1.4
121.02960	1.9
132.02193	7.5
133.02948	0.9
134.03757	26.9
135.04507	1.7
147.04536	1.7
148.05339	1.4
149.06062	4.2
150.35606	1.0
151.06140	2.9
160.01672	45.6
162.03461	0.7
163.03973	1.3
164.04828	0.9
165.02019	1.5
167.70854	0.7
173.06096	1.5
175.04019	56.1
176.04802	4.8
177.01984	1.2
178.02676	1.3
190.02750	4.2
191.05611	1.3
191.07164	8.2
193.05078	38.0
194.05440	0.9
205.05109	7.9
207.06604	2.7
217.05055	1.1
220.03789	1.2
223.06140	1.7
235.06142	23.0
236.06503	1.4
265.07169	2.9
283.02414	1.6
295.08179	3.6
355.10266	1.9
429.14044	11.5
489.16193	100.0
490.16196	6.8
502.00787	1.0
623.21875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01124	0.7
59.01388	8.9
69.49353	2.3
70.74764	0.4
71.01382	5.2
73.02937	0.8
76.33180	0.4
85.02950	1.6
87.00863	0.8
89.02454	4.2
94.08839	0.5
97.02968	0.5
101.02452	3.3
113.02464	2.1
113.31219	0.6
117.03461	1.6
119.03522	1.1
119.05025	0.6
132.02188	7.3
133.02946	1.4
134.03751	28.5
135.04510	1.1
137.02382	0.7
147.04512	1.8
148.05273	0.8
149.04575	0.5
149.04939	0.6
149.06082	4.7
151.06125	1.8
160.01675	43.5
160.43730	0.5
161.02257	0.8
161.04573	0.6
163.07635	0.5
173.06097	1.1
175.04019	52.0
176.04779	5.3
177.01909	0.7
178.02728	2.9
190.02751	1.2
191.05594	1.7
191.07169	6.2
193.05084	36.4
194.05444	1.2
205.05101	2.4
207.06616	3.1
207.48161	0.5
212.00885	0.5
220.03773	1.5
235.06139	20.9
235.08556	1.0
249.01105	0.5
265.07260	3.1
283.02426	0.9
295.08212	4.3
337.09180	0.9
355.10333	1.8
429.14145	3.2
438.70261	0.6
489.16171	100.0
490.16553	4.8
568.68750	0.5
659.24402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59809	0.5
59.01385	25.4
60.94915	0.5
64.94207	0.5
69.38401	2.8
71.01388	2.1
73.02957	0.8
85.02961	1.0
89.02428	0.6
101.02467	3.6
113.02448	0.9
121.02941	0.9
134.03741	0.7
135.04532	0.8
147.00909	1.8
149.02498	3.3
163.03955	0.8
164.04781	5.2
175.00380	10.3
178.86542	0.5
179.07187	1.2
190.02734	33.5
191.03185	0.6
205.05070	45.6
206.05492	0.9
208.03757	1.0
209.04523	0.9
223.06140	6.6
283.02457	0.7
304.31525	0.6
332.16211	0.7
399.09247	1.0
414.11523	2.2
429.14035	100.0
430.14340	5.0
435.20889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10939	1.0
55.07932	1.2
59.01385	10.1
67.59737	1.0
68.55127	1.0
69.19361	6.5
70.01579	1.1
71.01383	6.2
73.02931	1.2
76.55859	1.1
83.01424	1.2
85.02962	1.2
88.63406	1.1
89.02455	4.6
95.76688	0.9
101.02458	4.2
103.29235	1.0
106.93782	1.0
113.02476	2.2
117.03494	2.3
119.03521	1.3
121.39304	1.0
123.04491	1.0
125.17926	1.1
131.51257	1.0
132.02202	6.3
133.02954	7.5
134.03752	9.8
135.04539	13.7
141.57178	1.1
149.06093	3.6
160.01666	44.3
161.02460	34.6
175.04021	70.8
176.04643	3.3
179.03531	2.3
191.07129	2.5
193.05098	7.9
217.88651	1.1
227.03558	1.5
235.06210	4.5
255.03061	9.1
256.03320	9.0
257.03671	4.9
283.02505	20.1
284.02948	14.4
285.03369	15.4
286.04141	4.9
287.04587	5.0
315.10925	4.5
333.42401	1.2
446.08432	2.8
447.08932	3.5
448.09079	7.6
489.10446	4.1
490.10773	6.5
491.15991	100.0
492.16336	9.6
533.12256	1.7
653.15912	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	653.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.8
61.98838	2.4
69.07040	0.3
71.01383	4.3
73.02934	1.3
76.89333	0.4
82.95412	0.5
85.02959	1.8
85.15331	0.3
87.00885	0.7
89.02457	4.4
96.96002	1.0
101.02449	2.9
107.05045	0.4
109.02987	0.7
111.00874	0.8
113.02475	2.1
116.92854	0.4
117.03465	0.9
119.03512	1.5
121.02978	0.8
123.04536	0.9
125.02431	0.5
132.02184	7.2
133.02965	8.1
134.03755	10.5
135.04546	11.6
137.02480	0.6
143.03532	0.6
148.05322	0.9
149.06049	2.4
153.05569	0.5
160.01672	42.3
161.02458	30.1
162.02849	0.5
175.04015	57.5
176.04732	2.6
176.06067	0.4
177.01917	0.8
177.05638	0.5
178.02705	1.7
179.03482	2.7
183.04575	0.4
191.05574	1.1
191.07173	1.7
193.05074	7.7
194.05429	0.7
207.06648	0.7
220.03865	0.7
221.04652	0.4
235.06070	3.8
243.12314	1.1
253.89873	0.4
255.03040	2.9
256.03363	1.3
257.03656	1.6
281.06552	0.4
283.02460	4.8
284.02893	4.2
285.03101	4.2
286.04144	0.7
297.09634	0.6
315.10913	4.6
393.76031	0.4
448.08829	0.8
491.15637	100.0
492.15857	5.5
625.85333	0.5
652.38977	2.8
653.15973	8.8
653.39099	1.4
654.16364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.8
61.98838	2.4
69.07040	0.3
71.01383	4.3
73.02934	1.3
76.89333	0.4
82.95412	0.5
85.02959	1.8
85.15331	0.3
87.00885	0.7
89.02457	4.4
96.96002	1.0
101.02449	2.9
107.05045	0.4
109.02987	0.7
111.00874	0.8
113.02475	2.1
116.92854	0.4
117.03465	0.9
119.03512	1.5
121.02978	0.8
123.04536	0.9
125.02431	0.5
132.02184	7.2
133.02965	8.1
134.03755	10.5
135.04546	11.6
137.02480	0.6
143.03532	0.6
148.05322	0.9
149.06049	2.4
153.05569	0.5
160.01672	42.3
161.02458	30.1
162.02849	0.5
175.04015	57.5
176.04732	2.6
176.06067	0.4
177.01917	0.8
177.05638	0.5
178.02705	1.7
179.03482	2.7
183.04575	0.4
191.05574	1.1
191.07173	1.7
193.05074	7.7
194.05429	0.7
207.06648	0.7
220.03865	0.7
221.04652	0.4
235.06070	3.8
243.12314	1.1
253.89873	0.4
255.03040	2.9
256.03363	1.3
257.03656	1.6
281.06552	0.4
283.02460	4.8
284.02893	4.2
285.03101	4.2
286.04144	0.7
297.09634	0.6
315.10913	4.6
393.76031	0.4
448.08829	0.8
491.15637	100.0
492.15857	5.5
625.85333	0.5
652.38977	2.8
653.15973	8.8
653.39099	1.4
654.16364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2103
Annotation	Scroside D
Peak:m/z	Relative Intensity
51.86943	0.9
56.68025	0.7
57.03452	1.7
59.01085	0.9
59.01386	17.8
61.98819	2.7
63.53259	0.6
67.93395	0.7
68.11177	0.8
69.03460	1.3
71.01386	8.9
73.02937	1.7
79.65141	0.7
83.01395	1.5
85.02955	3.0
87.00887	1.9
87.16785	0.7
88.98795	0.9
89.02448	6.0
92.36487	0.6
93.03472	0.7
97.02986	1.2
98.07954	0.7
99.00890	0.8
99.04553	0.8
101.02446	7.3
107.01381	1.3
113.02431	4.5
117.03443	1.2
119.03503	2.7
123.04572	1.3
125.02465	1.4
131.03607	0.7
132.02182	9.7
133.02974	9.6
134.03743	13.4
135.04544	15.2
137.02419	1.0
143.03427	0.9
149.04631	0.7
149.06099	2.9
151.00406	2.0
153.05582	0.9
160.01672	58.5
161.02463	37.2
168.51491	0.7
175.04013	75.8
176.04564	2.8
178.02756	1.8
179.03514	3.4
182.81972	0.8
183.04584	0.8
191.07178	2.3
193.05095	9.7
207.06610	1.2
212.04428	0.8
231.08673	0.7
235.06136	3.5
246.82576	0.6
255.02982	4.9
256.00912	0.8
256.03198	3.6
257.03452	3.8
271.02380	0.8
283.02463	7.1
284.02994	9.0
285.03232	8.3
286.03946	2.1
287.04379	0.8
297.09717	2.7
315.10828	6.7
431.09152	1.3
431.81598	0.9
447.08966	1.5
448.09265	2.8
449.09781	1.4
459.15125	1.0
477.16180	4.4
491.15643	100.0
492.16055	6.3
508.31274	1.9
593.14111	1.1
610.23157	0.9
653.17450	10.7
653.33020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90628	1.0
59.01387	24.3
61.98835	2.0
70.59818	0.9
71.01393	11.9
72.99294	1.2
78.95937	5.1
80.05045	1.1
83.01394	1.4
85.02965	3.8
87.00892	2.6
88.98815	2.0
89.02454	12.3
96.96049	1.3
96.96968	2.8
98.21836	1.6
99.00887	1.4
101.02448	9.6
106.06631	2.5
111.00885	2.7
113.02464	4.0
118.06629	1.1
119.03521	4.7
121.02914	1.7
122.06081	1.8
129.01939	0.9
132.04562	5.5
134.03796	1.9
134.06129	31.3
135.03038	1.6
135.04506	2.0
136.07686	4.4
138.02010	1.0
141.01743	1.0
146.06133	4.0
147.04561	1.2
148.07645	0.9
150.05626	1.1
152.07181	3.5
152.24265	0.8
159.23413	1.1
160.04024	2.1
161.04590	1.3
162.05688	6.8
164.07121	2.2
174.05627	4.0
175.04068	1.4
176.07182	1.4
186.05669	1.6
191.05655	2.4
192.06691	43.4
193.05084	3.5
193.06941	1.2
204.06685	12.7
265.09766	1.3
279.11423	2.2
281.13058	2.0
293.09378	3.9
295.67725	1.0
309.12466	1.7
314.12427	3.5
321.12613	1.3
339.13574	7.3
489.18802	11.7
501.18945	1.7
503.20456	1.7
519.19861	100.0
520.20282	6.4
531.19916	18.5
532.20477	1.2
549.21057	1.5
573.20972	2.9
609.22742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	37.8
61.98834	28.7
71.01376	13.9
76.14230	5.2
83.05036	6.4
89.02439	10.6
95.04984	6.1
97.02990	6.1
98.22669	17.7
101.02470	14.5
103.67627	5.0
109.06644	6.6
113.02482	8.9
139.04002	7.8
171.08969	8.0
171.10292	90.2
176.37842	5.5
185.11830	9.7
207.10262	21.6
209.11890	100.0
217.12433	7.2
225.11293	8.3
227.12891	20.2
229.37161	5.2
235.08141	9.6
253.09290	8.8
285.04141	9.1
357.37802	6.8
399.21573	11.4
417.22980	12.5
628.82129	5.8
635.30701	16.6
653.30750	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00172	1.6
69.59479	3.6
69.59869	3.5
75.04185	1.8
78.95909	100.0
91.24258	1.8
119.63081	1.7
126.23242	1.6
149.00113	3.2
152.54454	1.6
172.16023	1.9
204.07434	1.9
238.54427	2.0
243.21086	1.8
285.12482	4.0
316.03900	1.9
343.46060	1.9
355.16766	2.0
431.88925	1.7
447.13739	8.4
447.19476	1.9
469.14386	1.9
529.71954	2.2
653.19281	3.5
653.30145	53.3
654.30981	2.8
663.02002	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81480	0.6
55.01874	1.2
57.03453	0.7
59.01385	49.0
60.89711	0.6
61.98845	3.5
69.03448	2.0
71.01386	34.5
71.40181	1.0
72.99296	1.5
73.02620	0.7
73.02957	7.4
79.63920	0.6
81.03460	1.9
83.01395	4.4
85.02959	8.9
87.00875	7.9
89.02454	31.6
91.04005	1.0
93.03444	0.6
95.01389	2.6
97.02967	6.2
99.00874	1.2
101.01801	1.3
101.02454	26.6
111.04486	1.7
113.01714	1.0
113.02460	14.6
115.04018	0.8
119.03506	10.0
123.04449	0.8
125.02460	12.7
127.03976	0.8
131.03470	1.2
133.05028	0.9
139.04027	1.4
143.03508	5.7
149.04465	0.9
157.05055	0.8
161.04587	6.7
179.05626	7.3
199.61322	0.6
206.15010	0.6
217.07289	1.4
221.06674	1.9
235.08237	13.6
245.06694	1.2
253.09409	3.8
255.23311	100.0
256.23657	2.9
263.07706	1.9
269.25012	1.0
277.09290	1.4
287.07819	4.1
305.08713	4.4
323.09772	1.7
379.12576	1.5
397.13522	87.6
398.14017	3.5
411.63232	0.7
415.14600	31.2
416.14655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
55.68638	0.3
57.03447	1.5
58.00604	0.7
59.01385	53.5
61.98844	1.5
64.00682	0.3
68.99826	0.6
69.03459	2.1
71.01388	35.0
72.99310	1.3
73.02954	6.9
75.00893	1.0
81.03470	1.9
83.01397	4.8
83.04998	0.3
85.02959	7.4
87.00367	0.2
87.00884	8.5
89.02453	30.8
91.04037	0.8
95.01418	2.8
97.02963	6.9
99.00876	1.8
99.04529	0.4
101.02449	29.9
103.00366	0.5
103.04032	0.5
109.02964	0.5
111.00890	0.9
111.04543	0.9
113.02458	15.5
115.04015	1.0
119.03508	9.5
121.02984	0.7
123.00939	0.4
123.04508	0.5
124.01720	0.3
125.02456	13.3
127.04021	0.5
127.51640	0.3
129.01944	0.4
131.02679	0.3
131.03506	2.0
133.05096	0.9
137.02458	0.4
139.04031	0.8
141.02029	0.3
143.03522	6.0
148.03726	0.3
149.04572	1.3
161.04568	6.6
163.04037	0.3
164.88618	0.3
167.03557	0.9
169.05049	0.3
176.86446	0.3
179.05630	7.0
185.04597	0.5
199.06172	0.6
203.05559	0.5
217.07184	1.1
219.04988	0.3
221.06647	2.8
235.08243	13.9
242.86365	0.3
245.06601	0.7
253.09302	3.6
255.23311	100.0
256.23685	3.5
263.07706	1.4
269.24786	0.8
277.09283	1.1
287.07736	3.9
305.08841	4.2
323.09741	1.7
361.11658	0.7
379.12436	1.0
397.13522	90.2
398.13852	2.7
415.14584	33.3
416.14795	0.9
517.92682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34098	1.9
59.01381	7.4
61.98835	22.2
69.57281	9.0
71.01412	3.9
77.03454	1.8
78.95915	3.6
79.19174	1.9
89.02431	3.2
93.28616	2.3
110.76650	2.0
160.89828	2.4
171.10333	6.0
193.28471	2.0
347.42993	2.2
415.54007	2.3
593.36877	2.7
635.30780	3.7
653.44312	100.0
654.44336	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	655.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
57.03442	4.9
58.00608	1.7
58.21081	1.0
59.01385	100.0
61.98846	9.2
65.15295	1.2
70.95033	1.9
71.01389	34.6
72.20995	1.0
72.99290	2.4
73.02943	5.1
83.01389	3.8
85.02952	10.8
87.00859	2.5
88.98775	1.5
89.02457	30.1
93.03445	1.4
95.01400	2.1
98.02427	1.1
99.00874	2.0
99.04525	14.3
101.02454	22.6
111.00884	2.0
113.02460	13.1
119.03525	9.0
121.02950	2.8
125.02458	1.4
131.03534	1.6
143.03525	3.0
154.16129	1.1
161.04591	6.2
165.12856	1.8
179.05646	8.6
189.12872	4.4
191.05557	1.4
193.05075	2.5
207.13963	6.7
209.04630	1.2
209.09834	2.6
209.11841	46.1
210.12143	1.2
223.08250	7.8
251.12859	2.8
256.81247	1.2
265.09262	2.5
389.18182	5.0
431.19138	1.5
457.20877	9.4
475.21884	80.5
476.21902	4.1
637.26654	2.5
655.28131	64.1
656.28656	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94878	2.2
54.10757	2.1
59.01384	100.0
61.98835	35.3
78.95912	6.4
96.99351	3.5
110.54356	2.1
140.48241	1.9
141.01717	50.1
152.99593	3.0
169.12302	3.8
171.10214	2.0
172.26065	2.4
209.11790	8.0
219.62096	2.2
237.92082	2.5
275.06152	2.6
277.21930	2.7
293.21320	2.5
311.22177	3.1
359.20911	3.0
535.27661	4.3
655.32587	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	655.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01383	25.1
61.98834	38.9
70.99796	1.8
71.01388	6.0
87.00856	1.4
89.02448	4.0
97.06049	1.7
97.06602	15.9
101.02430	4.9
110.78539	0.9
119.03488	1.3
123.08162	8.0
125.09738	100.0
126.10052	2.0
141.01704	9.8
169.08745	2.0
175.17845	1.0
187.09770	77.7
188.10103	1.6
249.18596	13.6
253.09171	2.3
261.13458	2.0
310.05566	1.4
385.84259	1.1
405.17868	5.5
423.18793	19.1
655.37048	87.9
656.37469	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	656.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.0
61.98820	1.2
68.79642	1.1
69.03458	2.0
71.01365	4.1
71.45082	1.1
72.27563	1.1
75.58946	1.4
87.00844	1.2
88.93737	1.0
89.02435	2.5
91.01872	3.3
95.01380	1.4
97.02927	1.7
101.02455	1.3
108.02149	1.7
111.00922	1.5
121.01727	1.5
121.02973	1.3
122.02510	5.5
123.03187	1.6
125.02403	1.6
133.01714	13.8
134.02490	50.1
134.03529	2.1
135.00951	6.0
136.04066	6.8
136.04965	1.6
148.00447	7.6
149.01129	2.2
150.01909	1.4
152.01135	1.3
152.03522	2.0
153.01860	1.2
158.02609	1.2
160.01628	4.5
160.04044	3.8
161.02336	1.9
163.04051	1.8
165.00684	4.0
166.01428	2.0
175.03981	6.8
176.04419	2.4
178.02791	1.6
180.03027	100.0
181.03717	5.7
193.05022	3.3
195.05365	26.7
196.06119	2.1
207.01608	1.6
212.03493	6.5
213.01923	4.7
213.04172	2.0
214.02730	1.5
240.03032	8.1
241.01398	5.2
241.03789	8.9
242.02141	3.2
258.04044	6.2
259.04773	1.7
264.86517	1.3
273.06433	15.7
274.07196	4.5
284.01999	9.0
285.02768	14.6
286.03485	2.6
298.03525	1.6
299.04367	11.5
300.05133	55.5
301.05563	1.7
315.03836	2.3
316.04587	27.8
317.05231	3.4
328.08249	1.5
329.25568	1.5
330.06421	1.3
331.06979	31.7
332.07773	33.7
333.08267	1.6
370.11945	1.3
445.94135	1.4
447.07324	1.3
462.10181	6.1
478.09714	1.8
492.16211	1.7
493.11731	1.7
493.17270	1.8
494.12479	24.0
495.13104	1.7
580.16785	11.0
624.15686	43.3
625.15967	4.0
656.18335	82.1
657.18768	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	656.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.0
61.98820	1.2
68.79642	1.1
69.03458	2.0
71.01365	4.1
71.45082	1.1
72.27563	1.1
75.58946	1.4
87.00844	1.2
88.93737	1.0
89.02435	2.5
91.01872	3.3
95.01380	1.4
97.02927	1.7
101.02455	1.3
108.02149	1.7
111.00922	1.5
121.01727	1.5
121.02973	1.3
122.02510	5.5
123.03187	1.6
125.02403	1.6
133.01714	13.8
134.02490	50.1
134.03529	2.1
135.00951	6.0
136.04066	6.8
136.04965	1.6
148.00447	7.6
149.01129	2.2
150.01909	1.4
152.01135	1.3
152.03522	2.0
153.01860	1.2
158.02609	1.2
160.01628	4.5
160.04044	3.8
161.02336	1.9
163.04051	1.8
165.00684	4.0
166.01428	2.0
175.03981	6.8
176.04419	2.4
178.02791	1.6
180.03027	100.0
181.03717	5.7
193.05022	3.3
195.05365	26.7
196.06119	2.1
207.01608	1.6
212.03493	6.5
213.01923	4.7
213.04172	2.0
214.02730	1.5
240.03032	8.1
241.01398	5.2
241.03789	8.9
242.02141	3.2
258.04044	6.2
259.04773	1.7
264.86517	1.3
273.06433	15.7
274.07196	4.5
284.01999	9.0
285.02768	14.6
286.03485	2.6
298.03525	1.6
299.04367	11.5
300.05133	55.5
301.05563	1.7
315.03836	2.3
316.04587	27.8
317.05231	3.4
328.08249	1.5
329.25568	1.5
330.06421	1.3
331.06979	31.7
332.07773	33.7
333.08267	1.6
370.11945	1.3
445.94135	1.4
447.07324	1.3
462.10181	6.1
478.09714	1.8
492.16211	1.7
493.11731	1.7
493.17270	1.8
494.12479	24.0
495.13104	1.7
580.16785	11.0
624.15686	43.3
625.15967	4.0
656.18335	82.1
657.18768	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	657.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97314	0.8
57.03450	0.8
57.75934	0.7
58.01522	0.9
59.01385	8.1
60.99270	1.0
61.98836	6.2
69.26591	4.4
71.01385	3.1
77.96696	0.8
81.48217	0.8
82.02979	1.2
85.02949	0.9
87.00845	1.1
88.98833	1.4
89.02433	2.0
107.05040	1.3
120.14085	0.8
134.02539	1.1
136.32001	0.8
138.38336	0.9
148.11247	0.9
151.00421	1.7
160.03992	2.7
165.87169	1.0
179.03511	2.0
183.04478	1.2
191.05597	1.0
193.05066	2.4
211.03967	1.2
227.03471	2.8
255.03011	41.4
255.05690	2.1
256.03571	1.3
283.02499	100.0
284.03079	4.5
285.04071	12.4
445.07791	2.1
446.02545	1.7
446.08603	23.6
447.09030	2.4
459.09314	6.0
460.09668	1.1
621.14648	63.5
622.15088	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89677	1.0
53.24953	1.0
57.03438	1.0
57.97218	1.0
59.01384	9.6
61.98832	8.8
67.01902	7.7
68.45818	1.0
69.03446	3.4
71.01387	5.7
73.27092	1.1
74.33175	1.0
83.01389	1.2
83.05055	1.3
85.02963	13.3
89.02465	3.1
97.03008	1.1
99.00938	1.1
101.02447	3.8
103.83263	1.1
109.06565	2.2
111.00893	100.0
112.01218	1.9
113.02465	2.1
119.03508	1.0
123.08097	1.0
125.09682	2.2
129.01974	7.9
130.74876	1.1
132.98361	1.0
151.11276	2.6
153.12825	1.1
161.04570	1.4
161.09795	1.2
163.11320	0.9
164.09860	1.2
169.12410	6.4
171.10257	2.3
179.10748	5.5
181.12325	2.0
182.94177	1.0
196.49940	1.0
197.11862	68.4
198.12254	1.2
205.52547	1.1
207.10225	4.1
209.11824	6.2
211.13454	3.1
212.98419	1.0
213.11392	1.5
225.11365	1.8
241.10934	2.4
253.09279	8.1
287.06973	1.0
291.19641	7.7
309.20755	22.8
310.21036	1.7
315.23267	3.3
327.65717	1.0
359.22174	3.1
477.19934	2.2
491.61655	1.3
545.29773	10.7
639.30255	1.3
657.31390	70.6
658.31909	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	657.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39893	0.5
50.92854	0.5
57.03443	1.0
59.01393	5.2
61.98839	4.3
62.34052	0.6
63.30317	0.5
67.01892	7.3
71.01381	3.5
83.05056	0.6
85.02945	5.0
85.68103	0.5
87.00844	0.8
89.02451	2.4
95.01377	0.6
97.06677	0.8
97.40244	0.5
101.02470	2.7
109.06593	1.6
111.00893	100.0
112.01222	1.4
113.02442	0.9
119.03543	0.8
126.70615	0.6
129.01947	1.8
151.11298	2.0
153.12869	0.8
155.10732	0.6
161.04561	1.3
163.11292	0.9
169.12340	7.8
176.75456	0.6
179.05634	0.6
179.14403	0.7
181.12381	1.1
185.11934	0.6
193.88771	0.6
197.11887	1.1
201.88933	0.6
207.10286	3.6
209.11830	5.9
211.13391	3.6
213.11342	1.6
218.43713	0.6
225.11345	1.9
227.12918	1.1
247.20822	0.9
253.09286	8.8
269.38605	0.6
291.19696	7.8
309.20746	32.9
310.21078	0.8
315.23331	1.5
341.21298	1.4
359.22256	5.9
511.81659	0.8
545.29620	12.0
546.29840	1.0
639.30511	2.5
657.22516	0.5
657.31378	14.2
657.40985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56182	0.4
57.62638	0.4
59.01382	68.2
68.46318	0.4
69.04042	2.9
75.10715	0.4
75.95325	0.4
90.97150	0.6
91.36176	0.4
98.21821	0.8
102.52398	0.4
116.64771	0.4
121.97514	0.4
125.19295	0.4
132.98201	1.7
157.03575	1.4
174.99260	27.1
192.95845	1.7
199.98717	0.7
201.02560	16.0
202.02849	1.0
217.00307	100.0
218.00685	2.0
237.02979	0.4
247.36362	0.5
294.34750	0.4
312.45282	0.4
343.03772	1.1
359.01480	32.2
360.01846	2.0
363.38388	0.5
374.99219	50.9
375.99493	1.1
517.00415	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	659.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00053	0.5
54.46138	0.4
57.93156	0.5
59.01384	100.0
60.01712	0.5
61.98842	2.1
69.30515	1.1
69.30919	1.6
69.74223	0.5
71.01402	1.6
73.02952	0.6
86.62284	0.6
89.02446	0.6
96.08954	0.5
96.96040	0.6
98.21964	1.1
101.02470	1.6
109.03000	0.8
111.00914	0.8
113.02448	0.7
119.05064	0.6
121.02985	0.9
122.06188	0.5
134.03764	1.0
135.04543	1.2
136.01663	0.8
136.99178	0.5
137.02458	1.9
152.71603	0.5
163.04099	0.9
164.01244	0.5
165.01947	13.4
165.03223	0.8
165.25186	0.5
172.18216	0.6
175.15634	0.4
178.02768	0.9
179.03490	9.1
180.04301	11.6
180.05759	0.8
181.05043	2.7
182.05884	0.6
193.03442	0.5
193.05162	1.5
193.08797	0.6
194.05832	2.8
195.06642	17.8
196.07393	2.7
210.05309	2.9
211.09789	3.7
225.07697	24.1
234.27734	0.6
331.11902	0.6
345.10114	0.5
359.11356	3.6
374.13721	6.2
389.16080	33.5
390.16669	1.6
413.96237	0.5
419.17395	0.7
437.18204	25.7
438.18643	1.5
449.19427	0.5
577.16193	0.5
659.22119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03456	1.1
57.04226	0.6
59.01386	27.2
61.33796	0.5
61.98838	7.7
62.92664	0.6
66.21140	0.7
69.03481	3.3
69.03770	0.6
69.47847	3.3
71.01393	13.0
71.05020	2.5
72.99316	0.7
73.02945	3.7
81.03465	1.2
83.01391	1.8
83.05035	10.9
85.02969	5.2
87.00848	1.3
89.02458	7.8
95.01369	1.4
95.05068	1.0
95.13125	0.6
96.96012	2.3
97.02958	1.0
97.06581	1.7
98.21902	1.4
99.00877	1.3
101.02461	10.5
109.06596	2.1
111.00843	0.8
113.02460	4.0
119.03458	1.4
121.02982	5.2
122.03329	1.2
123.08168	1.3
124.77247	0.7
125.09695	2.5
131.03516	1.3
135.08186	2.9
137.09695	1.7
143.03436	0.9
143.07253	0.6
149.04591	1.3
151.11269	1.7
153.12857	2.3
161.04565	2.4
161.09743	3.1
163.07643	1.1
166.23141	0.6
171.10286	1.2
175.04021	0.7
179.10773	6.1
181.08728	19.2
185.11826	0.7
191.05664	0.7
193.05023	0.6
197.11845	80.4
198.12204	2.5
199.09789	1.8
207.10210	1.5
209.11836	2.2
212.29024	0.6
221.08185	0.7
223.09680	1.3
225.11365	1.9
235.08286	0.6
236.83553	0.7
241.10805	5.9
245.11760	0.6
253.09279	3.5
265.94827	0.7
334.83481	0.8
347.04980	0.8
354.01791	0.6
459.18518	0.9
467.30118	2.7
471.30457	0.7
477.20020	5.8
497.23251	0.7
599.34418	22.4
628.52203	0.7
641.27991	1.4
659.29205	100.0
660.29620	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	659.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24355	0.7
55.01879	1.0
57.03441	2.1
59.01386	37.3
61.98834	12.3
69.03469	1.1
69.21835	4.1
71.01389	30.2
71.04992	0.6
73.02953	9.5
83.01397	4.9
83.05024	1.6
85.02962	11.0
87.00896	1.3
88.98818	1.0
89.02454	16.5
95.01405	1.6
96.96032	2.0
97.02944	1.7
97.06583	0.9
99.00883	3.9
99.04510	0.8
101.01801	1.4
101.02452	23.7
108.10410	0.6
109.06620	0.7
111.00907	3.9
113.02468	10.8
114.38507	0.6
115.04022	0.8
116.92872	0.9
119.03498	1.4
119.05032	0.7
121.02949	0.9
123.08167	3.0
125.02451	3.0
126.90373	3.7
127.03971	0.9
129.01979	0.7
131.03525	7.0
133.06439	0.7
134.03783	1.1
135.04590	0.9
143.03500	1.9
149.02603	0.7
149.04561	3.4
151.07678	1.2
159.02994	1.5
160.01711	0.8
161.02435	0.7
161.04605	6.3
169.08661	3.2
171.10284	1.3
175.04042	1.3
191.05664	1.1
197.11852	1.4
207.10161	0.9
209.11847	10.0
221.08171	0.8
227.12929	1.2
233.06657	1.7
255.02953	1.1
293.08804	0.9
365.87943	0.7
467.30115	7.6
497.27368	0.9
599.34424	100.0
600.34772	9.5
659.28491	14.5
659.40131	1.1
660.29846	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26540	0.6
54.71158	0.6
55.01882	1.5
57.03439	3.0
59.01384	32.0
61.98836	9.3
69.03452	0.9
69.38142	1.8
69.38548	1.6
71.01385	28.3
72.99297	0.6
73.02619	0.8
73.02959	8.6
73.31989	0.6
77.83511	0.8
83.01406	4.1
83.02467	0.7
83.05029	0.7
85.02950	9.4
87.00878	1.1
88.98831	0.8
89.02448	14.2
89.04318	0.6
95.01373	1.7
96.96004	1.2
97.02937	1.1
99.00882	3.1
101.01797	1.2
101.02452	22.4
111.00858	4.0
113.02465	10.1
115.04040	1.0
119.03542	1.1
119.15305	0.6
123.08128	0.7
125.02451	2.8
127.03900	0.7
129.01868	0.8
131.03528	6.2
143.03505	1.3
149.04544	2.7
159.03040	1.1
160.01665	0.9
161.04578	5.0
169.08659	1.0
191.05663	0.9
197.11859	0.9
209.11861	3.3
233.06729	1.4
260.32205	0.7
467.30197	7.3
599.34412	100.0
600.34729	9.8
659.28369	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	660.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89755	0.6
53.14711	0.6
57.79131	0.7
58.22498	0.7
59.01388	23.6
61.98842	10.4
71.01392	10.1
73.02977	0.7
85.02959	2.2
87.00874	1.6
89.02452	6.7
93.03461	1.5
95.01407	0.8
96.96000	1.4
101.02461	5.3
113.02454	2.1
119.03551	3.9
121.02971	3.2
137.02464	1.6
149.02444	5.4
149.05798	0.7
160.01674	1.0
175.04016	1.3
182.03743	1.1
183.04552	2.2
185.06192	0.9
193.05133	0.8
197.04739	0.8
211.04034	2.8
225.04303	0.9
227.03491	1.3
229.05069	0.9
238.02769	0.9
239.03557	2.9
241.04997	1.3
252.03165	2.0
253.01398	1.3
253.03798	2.0
255.02997	5.5
256.03546	4.5
257.04526	2.6
264.03040	3.1
266.02240	2.0
267.02869	1.9
280.02554	8.1
281.03357	14.6
282.04089	3.2
283.02472	12.6
283.05264	1.3
284.02933	9.3
285.03888	2.9
286.04422	1.1
309.02792	1.2
360.05206	2.2
388.04703	3.2
403.06927	1.3
419.06195	1.2
430.05466	4.0
434.08682	3.1
437.11151	0.8
446.08392	1.9
447.09055	2.0
462.08350	100.0
463.08817	5.8
464.09674	2.5
465.10419	1.6
480.09702	1.8
482.10776	1.0
622.14972	7.0
623.14587	0.9
624.14893	1.7
642.14258	1.8
660.15662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73197	1.1
59.01388	9.7
60.14129	0.9
61.98831	3.6
69.31535	4.9
71.01395	2.8
72.04563	4.7
82.02992	68.3
85.02930	1.3
89.02420	1.2
91.05546	6.6
96.96014	4.3
98.02495	6.1
100.04051	39.5
101.02485	1.5
102.61875	1.0
108.54465	0.9
115.50690	0.8
121.02959	1.8
135.04573	1.2
175.03897	1.5
202.08772	14.9
218.32634	1.0
248.09297	100.0
249.09532	2.7
264.34604	1.0
600.32819	2.8
626.82025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65690	0.6
59.01387	9.4
63.69859	0.6
69.34675	1.2
69.35058	1.6
71.01382	5.3
73.02940	0.7
78.19192	0.6
85.02972	1.1
87.00880	2.0
89.02456	6.0
95.01441	0.6
96.84948	0.6
101.02460	3.3
102.12847	0.6
105.03455	1.1
109.02969	1.7
109.81857	0.7
113.02467	2.6
119.03517	1.9
121.02966	1.1
122.03790	3.0
123.04550	27.4
126.95354	0.6
128.56824	0.6
135.04538	5.8
137.87718	0.6
149.02480	1.9
150.03238	27.9
151.04028	100.0
152.04385	2.9
153.05574	2.1
179.05643	2.0
193.05110	1.0
235.51463	0.6
245.90488	0.6
246.51743	0.6
313.09326	55.9
314.09619	2.5
315.10898	18.1
345.11844	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	661.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
66.56326	7.8
71.01389	64.9
85.02956	16.3
86.34263	9.0
89.02470	31.5
101.02428	25.2
111.00900	38.5
113.02494	17.4
119.03526	11.9
121.02978	88.8
156.06679	9.2
168.28673	8.5
214.48705	9.0
272.93851	10.4
301.18619	8.9
383.00342	9.1
601.21887	10.7
601.32269	31.9
661.35504	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	662.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81311	0.2
59.01382	2.2
61.98831	0.2
68.72698	0.2
69.16124	1.1
69.16518	0.4
71.01370	0.2
73.02912	0.2
81.24000	0.2
85.02975	0.2
101.02394	0.2
112.88232	0.2
116.05073	2.7
117.47620	0.2
127.07481	0.2
135.04489	0.2
141.01665	1.1
142.05074	0.2
159.03232	0.7
160.04051	100.0
160.98660	0.2
161.04416	1.9
171.94669	0.3
191.05603	0.4
204.03036	2.2
322.09335	0.7
366.08270	4.6
435.92166	0.2
456.12842	1.8
500.12067	0.5
618.18427	0.6
662.17297	13.3
663.17548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.2
57.42157	2.1
59.01385	100.0
61.88795	2.0
61.98838	24.5
62.21329	2.1
68.02531	4.7
69.03471	2.9
71.01391	40.4
71.04201	2.6
72.99306	2.2
73.02953	36.3
81.03443	3.5
83.05019	8.0
85.02954	14.8
86.39468	2.1
87.00882	10.0
87.04496	3.3
89.02457	27.4
93.91685	2.4
97.02956	2.5
101.02450	52.8
103.04015	23.7
109.06641	3.3
111.00870	2.6
113.02438	5.2
115.04032	6.1
119.03485	12.1
125.02451	7.8
126.99599	23.9
127.04005	12.2
131.03502	7.5
143.03500	7.6
143.07117	3.5
145.05043	8.0
155.10820	2.5
163.06145	62.8
164.06557	2.5
166.09848	11.7
171.10263	4.9
176.05057	2.3
181.08669	4.4
197.08189	2.9
197.11763	3.0
201.11224	4.0
205.07190	15.9
207.10304	5.0
208.10316	2.3
209.11902	13.9
210.12178	8.3
225.11371	3.9
226.11545	2.7
244.92470	2.2
253.09323	4.7
254.09743	2.6
255.02980	5.5
263.16516	2.9
265.09232	5.6
283.02701	5.4
307.10324	9.5
602.21277	3.2
662.39105	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	662.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31554	0.3
56.87475	0.3
58.94390	0.4
59.01385	100.0
60.01720	0.5
61.98840	1.2
68.99823	0.3
71.01401	1.0
71.44672	0.4
83.01414	0.3
85.02988	0.7
87.00891	1.4
89.02451	0.8
96.30608	0.3
101.02453	0.4
111.00890	0.7
113.02463	0.5
121.02982	4.3
134.03790	0.5
191.05701	1.5
192.06036	0.5
255.03040	1.7
260.00339	0.3
281.65146	0.3
283.02554	2.9
284.03668	0.5
340.58066	0.4
361.30560	0.4
382.87610	0.3
446.08844	0.9
635.57391	0.4
662.28857	1.2
663.16418	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37092	0.7
59.01369	3.1
65.00348	0.7
69.50562	2.6
71.01411	0.9
84.67242	0.5
87.00867	0.5
89.07687	0.6
98.21926	1.1
117.03497	1.7
133.02927	0.7
134.03716	1.0
151.00386	2.3
155.04979	0.8
159.04446	0.6
160.01709	0.6
165.01944	1.8
177.91884	0.6
180.04362	1.0
181.05180	0.8
183.04506	4.8
184.29466	0.6
193.05103	1.4
195.06642	1.2
211.03993	2.4
211.09731	1.0
219.66626	0.6
225.07764	1.8
227.03633	3.7
255.03017	50.2
256.03455	2.0
283.02509	100.0
284.03061	6.8
285.04071	30.6
285.07312	0.7
286.04483	1.3
327.05066	0.8
415.06604	2.6
416.07523	44.5
417.08212	7.6
471.09415	1.3
489.10788	0.8
501.13953	0.7
531.11310	14.5
532.11627	0.8
573.12061	0.9
603.13727	2.6
663.15741	32.3
664.16052	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
59.27328	0.3
63.02407	0.6
65.00349	0.7
69.33552	0.9
69.33965	0.6
71.01390	0.4
83.01385	0.4
93.03458	0.4
98.21918	0.6
101.02451	0.3
107.01420	0.5
117.03465	1.3
125.02432	0.3
151.00394	2.0
155.05048	0.9
159.04552	0.7
170.70802	0.3
171.04579	0.5
173.06087	0.4
182.03682	0.4
182.07210	0.3
183.04521	4.1
185.02504	0.8
195.06590	0.3
211.04030	3.5
225.07739	0.5
226.02835	0.3
227.03522	3.4
239.03453	0.3
255.03008	56.2
256.03415	1.6
275.09323	0.4
282.01743	0.5
283.02499	100.0
284.03021	4.6
285.04047	6.9
297.04010	0.3
314.47556	0.3
381.06161	0.8
441.08255	1.2
445.07803	1.7
446.08560	57.4
447.09097	3.3
453.15182	0.4
483.21863	0.3
501.10437	12.2
502.10922	0.4
543.11292	1.0
555.06067	0.3
603.13177	1.5
612.82294	0.4
663.15741	32.9
664.16046	2.2
677.10065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48268	0.4
52.97166	0.4
57.01764	0.5
59.01385	1.8
63.02424	0.6
64.43484	0.4
65.00336	0.5
79.35145	0.4
87.46677	0.4
93.03472	0.5
98.22709	0.7
107.01406	0.7
117.03485	1.6
126.80496	0.4
141.03427	0.5
144.82976	0.4
151.00385	1.5
159.04552	0.8
183.04539	4.9
185.02536	0.5
197.50688	0.4
211.03993	3.2
227.03545	3.2
239.03429	0.5
255.03012	45.0
256.03436	2.1
283.02509	100.0
284.02930	7.0
285.04095	8.9
286.04419	0.5
392.34067	0.4
416.07599	0.5
441.08115	0.4
445.07874	1.8
446.08575	42.5
447.09048	3.1
458.08551	6.0
459.09137	2.2
489.10321	1.8
501.10526	5.3
561.11774	0.5
588.54724	0.5
603.13855	1.2
663.15723	31.0
664.15656	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	663.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85434	0.2
59.01385	2.0
61.98811	0.4
63.02413	0.6
65.00343	0.5
69.27464	1.5
69.27770	0.2
71.01379	0.7
85.02944	0.4
89.02472	0.6
93.03453	0.5
101.02450	0.6
107.01404	0.5
117.03445	1.2
135.00874	0.3
141.03333	0.2
151.00375	1.6
155.05019	0.7
159.04480	0.6
165.01776	0.3
171.04558	0.3
175.00307	0.3
179.21086	0.2
182.03687	0.4
183.04509	3.6
185.02441	0.4
187.03970	0.5
199.03998	0.4
211.03996	2.3
227.03488	2.9
239.03584	0.4
255.02991	40.1
256.03342	1.7
269.04404	0.3
271.02472	0.6
282.01749	0.5
283.02490	100.0
284.03027	6.1
285.04056	15.2
285.07321	0.5
286.04300	0.3
297.03897	0.5
299.02011	1.1
327.04938	0.4
415.83789	0.3
419.82202	0.3
446.08539	26.5
447.09100	3.0
483.22412	1.0
488.09537	0.4
501.10461	7.0
502.10544	0.6
543.11371	0.5
606.05066	0.3
663.15723	34.7
664.15912	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	663.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25338	0.4
59.01390	2.9
61.98839	0.5
63.02420	1.1
65.00330	0.8
69.32944	2.0
73.21104	0.4
83.01405	1.2
85.02982	0.4
89.02438	0.6
93.03465	0.5
93.27188	0.4
100.40626	0.3
101.02457	0.6
101.51228	0.4
107.01402	2.7
113.02462	0.5
117.03480	1.3
118.95445	0.4
132.02219	0.9
149.99614	0.5
151.00389	7.3
155.04999	0.5
159.04514	0.7
161.04659	0.4
163.00403	0.8
164.01151	1.5
167.05019	0.5
169.01376	0.7
170.49881	0.3
171.04561	0.5
182.03670	0.7
183.04549	4.4
185.02556	0.6
187.11327	0.6
199.04039	0.7
211.04027	4.3
226.02821	0.6
227.03522	5.9
228.04105	0.5
239.03503	0.5
240.04158	0.4
255.03001	60.2
256.03571	2.3
257.04425	0.5
268.03870	2.2
269.04562	1.6
281.04550	0.5
283.02502	100.0
284.03247	36.8
285.04050	10.8
286.04434	0.5
296.03244	0.5
297.04025	0.6
299.02271	0.4
308.03497	0.5
327.05002	0.8
351.05640	0.4
380.05219	0.4
381.06036	2.0
399.07208	6.0
431.09744	0.5
441.08282	2.8
446.08542	17.2
447.09299	10.5
448.09470	0.7
483.22247	0.8
501.10483	18.2
502.10568	1.2
543.11511	3.2
561.12476	9.2
562.12616	1.1
603.13428	1.3
663.15723	55.3
664.16064	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	663.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82066	0.2
59.01377	2.7
61.98825	0.5
69.34224	1.3
71.01393	1.9
72.99314	9.5
74.00095	0.3
75.47388	0.2
78.90542	0.2
82.99548	0.2
83.01497	0.2
85.02946	0.8
87.00878	0.6
89.02458	1.4
96.96037	0.3
97.06596	9.3
97.07222	0.6
99.08185	0.2
101.02444	0.9
111.00866	0.7
113.02460	0.8
119.03532	0.3
121.02887	0.2
125.06096	37.3
126.06454	0.8
143.07152	100.0
144.07506	1.8
149.04582	0.4
160.01653	0.3
167.62462	0.3
175.03917	0.4
187.37628	0.3
191.05629	0.5
387.20450	0.8
441.17661	0.3
479.55322	0.4
519.24493	5.2
652.95825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.6
59.01384	11.6
60.99311	16.6
61.98831	1.3
68.16118	0.7
71.01377	3.7
71.42161	0.6
73.02940	0.8
85.02950	2.0
87.00890	2.2
88.00436	0.6
88.98811	100.0
89.02451	14.9
89.03008	0.6
95.05025	0.7
96.96021	1.3
98.07343	0.6
98.81603	0.7
99.00877	0.7
101.02465	2.3
103.45153	0.6
109.02959	1.3
111.00874	3.2
113.02454	1.1
119.03521	1.1
121.02959	1.2
126.87632	0.6
131.03497	0.7
149.04613	1.3
149.05850	0.6
151.03984	0.9
160.04071	2.0
163.04094	0.9
179.05586	1.5
187.11337	0.9
191.05611	1.1
211.06142	1.0
248.33701	0.6
255.03009	3.4
256.03323	3.0
283.02542	8.3
284.02884	9.0
285.03497	1.1
329.72031	0.8
446.08469	2.2
447.09131	4.1
448.09476	0.6
469.18942	0.8
477.01236	0.7
485.20401	1.9
664.16174	6.0
664.28076	2.0
664.38617	2.3
665.16632	1.0
665.27533	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.0
63.02411	0.6
65.00334	0.7
71.01373	1.6
85.02996	0.4
89.02448	1.3
101.02486	1.0
107.01379	1.2
111.00882	0.8
145.03004	1.0
151.00374	4.4
163.53299	0.4
164.07645	0.5
172.01668	0.5
178.99925	0.5
186.03368	0.5
198.03242	0.7
200.04846	0.9
214.02730	2.1
216.10107	0.5
226.02831	0.7
226.06409	0.4
227.03497	1.8
228.04321	0.5
241.01343	3.3
242.02217	27.8
243.02907	5.3
244.03659	0.8
245.00868	1.6
254.02339	1.1
255.03020	2.0
257.04510	1.3
270.01706	31.5
271.02457	8.1
272.03134	1.4
282.01788	0.9
283.02472	1.3
284.02881	0.6
285.04077	13.9
286.04675	1.3
287.05618	0.5
298.01221	7.5
299.02008	7.0
299.05548	1.2
300.02765	9.3
307.08298	0.8
313.03561	100.0
314.04160	10.9
315.05115	35.7
316.05447	1.0
445.07764	5.0
459.09311	7.8
460.10120	39.7
461.10883	30.4
462.11194	2.2
519.11438	56.9
520.11621	4.2
605.14893	2.9
623.15411	0.8
657.00537	0.4
665.17328	17.0
665.28949	0.6
666.17645	1.8
671.67920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57426	1.1
51.51666	0.9
59.01383	45.4
61.98835	5.7
69.48096	4.4
71.01387	12.5
73.02953	3.1
81.03488	1.0
83.01383	1.4
85.02962	4.3
87.00873	4.9
88.98814	2.3
89.02444	9.2
93.03435	1.6
96.96027	2.6
101.02462	8.3
105.31851	1.0
107.01351	1.3
108.02159	1.4
109.02995	1.1
111.00903	1.6
113.02456	5.1
116.92825	1.2
119.03519	2.0
121.03004	1.7
130.08096	1.0
131.03482	2.0
133.02959	2.7
134.03758	2.2
135.04491	3.3
147.00903	1.4
149.02504	5.1
149.04573	3.5
150.03238	1.3
151.00375	2.7
160.04057	4.6
161.02458	1.2
161.04483	4.9
163.04021	2.2
164.04782	5.8
165.01958	2.9
165.05682	1.0
175.00375	11.9
179.03468	1.6
179.05629	2.3
179.07074	1.8
190.02733	36.8
191.05630	5.6
195.06607	2.5
197.06108	1.5
205.05064	54.6
206.05463	2.0
208.03781	3.1
209.04535	2.0
217.08649	1.4
219.02928	1.0
223.06133	8.3
227.03445	1.0
230.46198	1.0
241.01538	1.4
242.02182	1.8
255.03073	1.1
255.12794	2.4
270.01694	2.3
271.02438	6.3
292.79208	1.0
299.01974	7.8
300.02374	1.2
314.14020	1.2
428.13339	1.4
442.15613	1.3
443.15582	100.0
444.15973	4.3
451.66843	1.1
459.09598	1.0
461.07297	11.3
462.07901	1.2
503.08417	2.4
665.16699	1.3
665.30267	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	665.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45870	0.7
55.01873	1.2
57.03452	1.4
58.00595	1.0
59.01384	100.0
60.01707	1.0
71.01388	56.8
71.44344	0.8
72.99316	2.5
73.02946	9.9
79.97446	0.8
83.01386	1.7
85.02953	8.9
87.00898	3.6
89.02451	87.4
90.01768	0.8
95.01358	1.8
97.03011	0.9
99.00877	6.1
101.02452	39.8
107.53911	0.7
113.02464	15.2
117.33172	0.8
119.03530	15.4
125.02463	2.9
131.03511	24.5
143.03514	2.6
149.04570	67.1
161.02507	1.1
161.04523	4.8
163.04044	1.3
173.04515	1.3
179.05655	8.8
191.05623	18.5
202.53267	0.8
206.96588	0.9
221.06726	2.0
241.01369	1.5
242.02292	2.3
243.02812	0.8
251.07713	3.2
271.02533	1.3
288.69727	0.8
293.08881	1.2
293.96027	1.0
299.01996	3.6
311.09796	1.7
335.26697	0.9
353.08963	1.1
402.63580	0.9
461.07394	2.1
485.24161	2.2
533.26270	3.7
563.86743	0.9
661.01843	0.9
665.30359	16.7
666.30243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63877	0.6
55.01877	0.9
57.03442	0.6
58.00595	1.7
59.01386	100.0
71.01387	54.4
72.01717	0.8
72.99319	1.8
73.02955	10.0
80.28387	0.6
83.01396	1.7
85.02956	9.2
87.00891	6.1
89.02453	87.4
90.02770	0.9
95.01374	1.9
97.02959	0.9
99.00896	3.4
101.02454	43.6
103.04044	0.7
111.00918	0.8
113.01714	1.2
113.02463	16.8
119.03516	17.3
125.02433	1.8
127.24607	0.6
131.03514	27.6
133.02908	0.7
143.03476	3.5
149.04572	66.6
150.04868	0.7
161.04587	2.9
179.04346	0.7
179.05656	8.8
191.03966	1.1
191.05632	18.7
194.33624	0.6
241.01477	0.7
251.07610	2.3
270.01633	0.8
271.02313	1.4
277.15594	0.8
293.08505	0.9
299.01651	1.9
311.09708	1.9
461.06827	2.2
485.23801	1.7
533.26361	3.9
577.48859	0.7
635.51093	0.6
665.30328	17.2
666.30383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92406	3.4
51.92710	3.0
55.01874	4.2
55.95389	3.1
57.03442	3.9
57.30916	3.1
59.01382	97.1
61.98837	7.6
71.01383	55.4
73.02946	14.5
83.01404	10.0
84.14812	2.6
85.02956	15.8
87.00893	11.6
89.02453	30.7
95.01418	4.7
99.00877	7.5
101.02456	35.1
106.20168	3.6
108.04529	2.9
111.00861	3.7
113.02469	23.0
119.03522	9.1
121.02975	4.4
125.02439	4.3
135.04561	3.9
143.03543	3.5
159.02979	3.6
161.04587	6.9
183.04427	4.8
227.03548	4.6
228.03723	3.2
255.03001	53.3
256.03360	31.3
257.03503	24.9
264.42020	3.3
266.83752	2.9
283.02499	100.0
284.02847	84.3
285.03040	80.5
286.04050	10.2
287.04562	8.1
313.03345	3.7
417.25345	5.5
446.08594	16.9
447.08884	30.3
448.09119	60.6
449.09274	3.6
461.09665	6.0
485.22958	5.2
488.08902	3.5
490.09988	5.5
502.10773	4.4
503.10965	13.9
561.29193	81.0
562.29395	7.3
579.30194	59.4
580.30426	4.1
605.13995	7.7
621.31665	17.5
658.13824	3.8
665.16199	72.4
665.39642	7.6
666.16510	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	666.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08452	29.4
55.84994	23.6
59.01382	60.9
61.98825	100.0
63.49583	30.3
93.25545	26.6
138.15150	28.7
228.78067	31.3
247.99155	30.5
372.40479	37.2
377.28918	33.3
441.86948	35.3
666.26904	61.3
666.38507	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33078	0.4
59.01383	2.1
63.02418	0.6
65.00321	0.7
69.55702	1.7
69.56053	0.5
71.01377	1.0
83.01395	0.8
89.02473	1.3
98.21877	0.8
101.02487	0.5
107.01430	1.4
109.02947	0.8
120.56575	0.4
121.02995	0.5
121.79465	0.5
133.78746	0.5
135.00905	0.6
147.00801	0.5
149.02499	0.6
151.00383	7.6
159.82993	0.5
163.00372	0.8
165.01979	0.6
171.04503	1.0
175.00380	1.0
175.04068	1.0
178.99911	1.5
183.04539	0.4
187.04108	0.8
189.01990	0.5
190.65656	0.6
191.05737	0.6
193.01448	0.5
199.04007	3.2
201.02037	0.9
203.03566	0.7
215.03560	1.3
220.31090	0.5
225.01973	0.5
226.02736	1.1
227.03537	2.7
227.05423	0.4
243.02968	3.4
254.02234	0.5
255.03035	1.2
271.02509	59.7
272.03021	1.4
273.04117	0.6
285.03821	0.8
286.44931	0.4
297.03995	0.7
298.49435	0.4
299.01993	100.0
300.02667	12.5
301.03555	38.4
302.03952	1.2
313.03577	0.5
343.04416	1.0
462.08051	24.5
463.08826	14.3
468.75284	0.5
505.09888	11.6
547.11066	0.9
607.13153	1.3
625.14160	0.9
667.15210	57.2
668.15363	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	667.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
60.92609	0.3
63.02410	0.5
63.18081	0.3
65.00342	0.6
69.35673	1.7
69.75017	0.4
102.23457	0.4
105.07198	0.3
107.01366	0.8
109.02975	0.5
133.03004	0.7
147.00862	0.6
151.00406	3.3
165.59355	0.4
171.04546	0.5
175.04015	0.4
178.99869	0.6
187.03958	0.4
199.04013	3.6
201.01958	0.9
203.03427	0.5
215.03584	2.0
226.02794	0.7
227.03456	2.5
242.02408	0.8
243.02992	3.7
254.02267	0.4
255.02988	1.4
271.02496	57.5
272.02905	1.6
299.01984	100.0
300.02615	6.6
301.03555	6.1
302.03979	0.5
312.02777	0.4
325.55197	0.5
375.35098	0.4
417.07541	0.4
445.07916	1.4
461.07544	2.7
462.08069	42.6
463.08609	5.1
505.10019	9.4
505.16638	0.4
564.39105	0.4
607.13043	1.6
625.15015	0.7
667.15222	40.4
668.15308	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	667.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50654	0.4
63.91506	0.4
65.00342	0.6
66.41985	0.4
70.77698	0.6
70.78027	0.5
75.40859	0.5
77.60851	0.4
85.15404	0.3
89.03980	0.4
89.06716	0.4
92.21447	0.4
102.13954	0.5
107.01402	1.3
109.02979	0.8
119.14091	0.4
121.02943	0.5
133.02963	0.7
136.47026	0.5
143.05035	0.6
151.00380	5.8
161.02359	0.5
161.98988	0.4
163.00320	0.6
168.09901	0.4
171.04514	0.9
175.00375	0.8
175.04027	0.9
178.99896	1.2
183.04430	0.6
185.02499	0.4
187.04053	1.3
198.03203	0.5
199.04059	3.3
201.01967	0.9
215.03545	2.4
226.02608	1.0
227.03491	3.0
243.03000	4.2
254.02251	0.6
255.02898	2.0
271.02499	59.4
272.02975	2.1
278.04581	0.4
299.01996	100.0
300.02625	12.3
301.03558	28.8
301.07129	0.7
302.03934	1.3
313.03448	0.5
320.58511	0.4
338.65158	0.5
343.04703	0.7
359.32428	0.5
382.49197	0.4
455.41470	0.4
462.08109	21.3
463.08862	12.4
505.09964	14.7
506.10291	0.6
547.10809	0.7
625.13989	0.9
667.15210	54.7
668.15491	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	667.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11428	0.5
51.25164	0.4
55.01875	0.6
59.01382	11.9
61.98834	2.4
62.09109	0.5
63.02407	0.6
65.00353	1.2
71.01387	6.1
71.78416	0.5
73.02963	2.8
83.01396	1.9
85.02942	2.0
87.00890	1.6
89.02441	3.4
99.00908	0.6
99.04526	0.8
101.02461	5.2
107.01396	2.2
108.02189	1.4
109.02938	1.3
111.00948	0.7
113.02456	2.3
119.03505	1.1
121.02950	3.2
125.02396	0.9
135.60275	0.5
143.03519	0.6
148.01695	1.6
151.00366	9.9
159.10303	1.1
161.04565	0.6
161.08183	0.5
163.00346	2.0
165.01918	1.5
175.04031	0.7
178.99867	5.0
183.04393	0.5
187.04059	0.7
191.05679	0.7
198.77029	0.5
199.03984	1.0
211.03966	1.0
211.21480	0.6
215.03497	1.1
216.04163	0.6
226.02745	1.9
227.03497	2.3
229.05002	0.6
243.02975	10.4
244.03632	0.6
245.04478	0.8
254.02306	1.3
255.02998	26.3
256.03659	1.1
271.02502	59.8
272.02966	3.5
273.04062	0.6
283.02490	1.1
299.02014	7.0
300.02771	100.0
301.03519	25.5
360.84180	0.6
373.22415	1.1
445.07697	1.2
463.08963	1.4
505.09943	48.4
506.10452	2.5
535.28027	0.8
585.93579	0.6
639.45233	0.5
666.40479	5.6
667.15240	30.0
667.31488	7.6
667.41125	2.1
668.15613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
61.98829	1.9
63.02392	0.5
65.00340	0.9
69.18098	3.5
71.01384	2.8
73.02970	0.7
74.24267	0.5
75.46795	0.5
83.01371	0.9
85.02975	0.7
89.02465	2.1
95.01395	0.5
101.02468	1.9
107.01409	1.7
108.02197	1.7
113.02469	1.2
115.69183	0.5
119.03493	0.7
121.02940	0.8
125.88192	0.5
135.00879	0.7
144.89766	0.5
148.01707	1.2
149.02480	0.6
151.00391	5.1
163.00389	1.0
164.01166	0.6
178.99815	3.1
179.05699	0.8
186.55380	0.5
192.00677	0.6
199.04050	1.1
203.03423	0.7
205.05109	0.7
211.03976	0.7
215.03564	1.4
226.02713	1.7
227.03395	2.6
243.02963	12.4
254.02209	2.3
255.03011	24.8
256.03278	0.8
271.02487	63.2
272.03104	2.5
273.04132	1.0
283.02521	0.8
299.01971	12.4
300.02762	100.0
301.03445	9.6
302.03769	0.6
307.10168	0.5
354.10623	0.5
385.05789	0.5
462.08005	0.9
505.09888	4.8
505.16849	0.9
530.41125	0.5
607.13049	1.8
625.14154	1.1
666.30603	1.3
666.40588	0.9
667.15161	61.6
667.30890	2.2
668.15955	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.6
57.03463	2.6
58.00602	0.9
58.28462	0.5
59.01383	88.1
59.94287	0.5
61.98841	4.7
63.02400	0.6
65.00354	1.2
69.03458	0.9
71.01387	49.2
72.99315	3.8
73.02951	8.9
78.95913	1.7
81.03500	0.5
83.01392	5.8
85.02956	13.4
87.00883	5.5
87.04530	0.9
88.98852	0.6
89.02451	44.1
95.01399	4.3
96.07178	0.5
96.71526	0.5
97.02982	1.7
99.00902	3.2
99.04527	1.0
101.02451	33.5
101.06106	1.0
107.01365	2.9
108.02168	0.8
109.02895	1.0
111.00907	1.5
113.02458	20.1
119.03507	21.3
121.02978	2.6
123.04527	1.0
125.02438	2.4
128.03598	0.8
129.01967	0.8
131.03519	3.0
134.03749	0.5
135.00897	0.5
135.04587	0.7
137.02477	0.7
139.04031	0.7
143.03500	5.4
149.02495	0.6
149.04558	2.2
151.00377	11.8
151.01552	0.7
155.10742	0.6
159.02995	0.9
161.04561	7.7
163.00412	1.1
163.04033	0.6
175.04190	0.7
178.99887	5.7
179.05624	14.9
183.04370	0.5
199.04051	0.7
205.05159	0.7
209.11821	1.0
211.04010	0.8
215.05594	1.7
226.02689	0.7
227.03598	1.1
243.02899	3.4
245.04414	0.7
254.02197	1.5
255.03014	9.0
271.02509	23.4
272.03079	1.5
273.04001	0.6
283.02582	0.7
293.08749	1.8
299.02020	5.4
300.02774	43.3
301.03540	42.6
302.04037	0.5
341.13864	0.8
373.22400	3.2
424.00009	0.5
445.07663	1.6
462.08154	0.8
463.08923	7.2
469.17111	0.7
478.30682	0.6
487.21420	1.8
487.26126	1.6
505.09940	59.2
505.26364	16.8
506.09790	1.5
666.40771	7.2
667.16162	2.8
667.31866	100.0
668.32452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98504	0.8
55.01875	1.2
57.03479	1.3
59.01386	100.0
60.01711	1.2
69.43426	2.9
69.97365	0.7
71.01391	47.9
72.01704	0.7
72.99307	1.6
73.02964	4.3
78.50974	0.6
80.30423	0.7
83.01402	3.3
85.02964	9.2
87.00880	2.6
89.02456	57.2
95.01405	4.4
101.02451	31.9
108.02147	1.4
110.46984	0.7
111.00904	1.1
113.02463	21.3
118.18362	0.7
119.03520	24.2
123.04509	1.0
125.02473	1.3
131.03514	4.7
143.03535	4.9
149.04590	2.5
151.00334	1.0
152.01152	2.4
154.70084	0.7
160.01646	1.2
161.02477	1.0
161.04607	4.0
167.03535	3.5
171.45953	0.8
175.04050	1.4
179.05626	12.0
221.06682	0.8
271.02490	7.8
288.91714	0.8
299.01978	12.5
300.02441	2.5
301.03589	4.9
325.10709	0.9
337.09222	2.5
355.21292	1.1
462.07953	4.8
463.08600	2.3
487.25546	6.7
505.14517	1.3
505.26166	1.0
535.27643	19.1
536.28082	2.0
667.15619	6.8
667.31885	69.9
668.14905	1.6
668.32410	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	667.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04560	0.7
55.01874	3.2
56.60283	0.8
57.03450	2.0
58.00586	1.6
59.01384	90.2
61.98833	19.1
65.00327	1.5
69.14990	1.5
69.15395	3.5
71.01389	47.0
72.99305	3.8
73.02952	7.2
73.40145	0.8
76.71754	0.8
78.95911	2.4
83.01393	6.9
85.02958	15.8
87.00874	4.4
89.02450	45.7
93.03468	0.8
94.39902	0.7
95.01390	3.4
96.96032	0.9
97.02930	1.4
97.47165	0.7
99.00902	3.2
99.04522	1.2
101.02455	34.6
102.10419	0.8
107.01415	2.4
111.00880	1.6
113.02464	19.1
116.92917	2.0
118.73473	0.8
119.03516	21.6
121.02955	2.2
123.04610	1.1
125.02447	2.2
131.03522	2.7
137.02449	1.3
143.03548	6.0
149.04555	2.2
151.00400	8.5
160.01743	0.8
160.04060	1.9
161.04558	6.5
168.68040	0.8
175.03918	0.9
178.99890	3.4
179.05663	12.5
194.48488	0.8
199.04060	1.5
209.36942	0.9
243.02940	2.7
255.02994	7.6
271.02487	18.0
272.02875	1.5
293.08743	1.8
299.01926	6.0
300.02792	31.0
301.03552	31.1
302.03949	2.2
343.21213	0.9
373.22397	3.4
445.07642	1.7
462.08075	1.1
463.09009	5.9
487.26724	1.5
505.09988	39.1
505.26569	17.7
506.10129	3.6
506.27304	1.4
666.40277	1.1
667.14478	3.3
667.31891	100.0
667.40448	4.5
668.33093	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
57.03440	2.6
58.00586	1.4
59.01383	100.0
61.98825	1.9
62.46734	1.0
63.02418	0.8
66.72018	0.8
67.53409	0.8
69.10123	4.1
69.10532	1.8
71.01385	50.9
72.99305	2.7
73.02956	7.3
75.00858	1.1
83.01406	4.5
85.02951	17.5
87.00869	3.8
89.02449	44.3
95.01377	3.5
97.02951	2.3
99.00892	3.3
101.02454	36.9
107.01441	1.1
113.02458	23.2
116.92873	2.2
119.03514	23.2
121.02944	1.5
125.02422	1.4
131.03496	2.9
143.03534	5.1
149.04576	2.1
151.00394	4.7
161.04570	8.2
169.65512	0.9
175.08325	0.8
178.99879	1.8
179.05617	12.9
209.11806	0.8
215.05563	2.3
243.03075	2.0
255.02911	4.9
271.02527	9.4
272.02869	1.3
293.08804	1.5
299.01941	3.6
299.99628	1.5
300.02734	15.7
301.03482	13.7
304.18738	0.9
343.19171	0.9
373.22198	3.4
445.07770	1.4
462.07980	1.4
463.08932	3.0
505.10056	15.2
505.17178	1.6
505.18774	1.4
505.26450	16.6
506.10291	1.7
667.31891	95.1
668.14551	1.1
668.32269	5.7
674.92896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01384	2.9
59.17642	0.2
61.98833	100.0
71.01395	1.2
72.03552	0.2
73.02950	0.2
85.03001	0.3
87.00880	0.4
88.98841	0.4
89.02464	1.0
92.90278	0.2
98.64100	0.2
99.04540	0.6
101.02473	1.0
108.02164	0.3
109.02965	0.9
113.02440	0.4
117.03499	0.2
119.05026	0.2
121.02970	0.3
125.02483	0.3
133.03004	0.3
135.04507	0.3
136.01672	0.6
149.04518	0.3
151.00456	0.3
151.04108	0.2
161.02437	0.4
162.03214	0.4
163.03998	0.7
179.03474	0.3
179.05583	0.3
183.04507	0.2
211.04021	0.3
215.39790	0.2
255.03008	3.3
260.03220	0.2
263.12952	0.4
283.02466	9.3
284.02969	0.3
285.04089	0.8
385.12854	0.6
386.13342	0.6
430.09131	3.1
431.09839	0.3
443.17560	0.4
444.17419	0.3
459.09567	0.2
462.77380	0.2
605.15161	7.1
606.15326	0.4
667.34436	0.3
668.33820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
59.01384	2.9
59.17642	0.2
61.98833	100.0
71.01395	1.2
72.03552	0.2
73.02950	0.2
85.03001	0.3
87.00880	0.4
88.98841	0.4
89.02464	1.0
92.90278	0.2
98.64100	0.2
99.04540	0.6
101.02473	1.0
108.02164	0.3
109.02965	0.9
113.02440	0.4
117.03499	0.2
119.05026	0.2
121.02970	0.3
125.02483	0.3
133.03004	0.3
135.04507	0.3
136.01672	0.6
149.04518	0.3
151.00456	0.3
151.04108	0.2
161.02437	0.4
162.03214	0.4
163.03998	0.7
179.03474	0.3
179.05583	0.3
183.04507	0.2
211.04021	0.3
215.39790	0.2
255.03008	3.3
260.03220	0.2
263.12952	0.4
283.02466	9.3
284.02969	0.3
285.04089	0.8
385.12854	0.6
386.13342	0.6
430.09131	3.1
431.09839	0.3
443.17560	0.4
444.17419	0.3
459.09567	0.2
462.77380	0.2
605.15161	7.1
606.15326	0.4
667.34436	0.3
668.33820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21421	19.0
57.03456	16.9
58.54366	13.9
59.01384	100.0
61.02711	18.4
61.98821	60.0
65.77271	17.6
69.49265	36.4
69.49654	39.1
71.01400	48.6
80.67696	14.1
85.02974	42.6
89.02467	45.9
96.96011	39.7
101.00985	18.4
101.02467	36.9
111.00896	93.3
118.91431	14.9
121.02951	40.5
137.06622	15.7
194.55960	16.0
202.53551	17.8
646.98120	19.0
668.36633	74.9
669.40643	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57285	1.0
61.98837	100.0
65.20808	0.7
66.49474	0.8
71.41880	1.0
153.58623	0.8
173.33951	0.8
201.95799	0.8
282.72955	0.8
389.10446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68711	2.6
61.98830	16.8
78.95911	4.8
80.70737	3.1
87.33783	3.6
118.03007	100.0
119.98856	2.9
133.01698	7.4
149.01196	6.9
164.92775	3.0
180.03035	45.7
225.04417	4.3
293.03546	3.6
307.04865	7.1
308.05814	15.4
309.06348	4.6
322.07321	19.3
323.07941	10.5
324.08615	5.9
338.10349	9.6
441.10794	9.9
456.13809	4.0
471.15628	76.2
472.15732	4.1
592.11292	5.2
622.15979	7.4
637.18414	58.6
638.18677	6.1
639.16547	3.8
654.09271	3.1
654.18958	11.4
669.20959	93.2
670.21436	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	669.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62016	0.4
61.42704	0.5
65.05399	0.5
65.99776	0.6
78.95798	0.6
91.92467	0.5
94.02854	1.2
94.03400	0.5
98.22639	2.2
121.05128	0.6
122.02293	4.5
123.00729	0.5
123.03161	1.0
133.01495	1.6
136.07509	1.8
148.00233	0.8
150.01746	11.7
151.02538	0.5
152.03160	0.5
162.69353	0.5
171.10223	0.6
181.03601	1.7
181.05107	0.7
182.04604	7.2
185.23526	0.5
192.29410	0.5
198.03294	3.0
201.11105	1.2
208.31456	0.6
209.11160	0.6
212.03316	2.0
213.04230	1.0
225.04094	2.3
226.02472	9.6
226.04880	2.5
228.02806	1.5
228.91571	0.7
229.03529	1.6
231.01483	0.7
238.58899	0.7
240.03079	3.0
241.03810	16.3
242.04068	1.6
244.02304	0.6
245.02950	0.7
257.03076	1.1
268.02274	0.7
269.03317	9.2
270.04089	3.3
272.02005	6.8
277.21533	0.8
278.04315	1.5
279.04996	0.8
286.03275	1.0
286.06262	0.6
292.02393	1.4
292.05765	1.0
293.03192	1.0
294.03781	0.9
294.07309	0.7
306.04080	2.6
306.07071	0.9
307.04877	4.3
308.05447	1.3
321.06290	0.8
322.07220	13.1
323.07626	0.8
324.08746	0.8
336.08820	0.6
422.43015	0.6
459.09512	0.6
505.09595	0.6
518.07294	0.7
533.09894	1.9
548.12531	0.7
549.09985	0.7
563.14282	1.9
577.08789	6.0
578.08917	1.2
579.14117	1.1
592.11298	4.1
605.24042	1.2
607.13629	25.5
608.13812	2.3
621.15839	0.8
622.15717	4.3
637.18280	100.0
638.18640	11.3
645.56500	0.6
669.20935	27.1
669.32385	1.3
670.21448	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	669.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68790	1.2
57.43683	1.2
58.20821	1.0
59.01386	100.0
61.71370	1.1
61.92939	1.1
61.98837	1.7
69.33349	1.1
70.08019	3.0
70.08350	1.5
70.61398	1.2
71.01383	2.6
80.57268	1.1
81.03487	1.2
96.99336	2.8
101.02439	2.0
109.06616	1.3
113.02407	1.7
128.40370	1.3
141.01720	53.3
141.02850	2.7
165.12859	1.9
171.10300	1.8
197.11847	2.6
197.86189	1.1
201.17937	1.2
207.10283	4.3
209.11829	3.0
240.61720	1.3
253.09451	1.2
261.96567	1.2
275.06244	2.3
291.19727	3.3
305.45453	1.1
373.19641	2.5
415.21808	1.8
651.30200	2.8
669.30469	6.5
669.40814	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08640	1.4
57.03438	3.2
59.01126	2.0
59.01387	28.5
61.98829	3.4
66.46965	1.2
71.01389	17.3
73.02937	4.7
80.02680	3.1
81.03448	5.9
83.01392	2.1
83.05038	6.4
84.02167	1.5
85.02951	5.0
87.00883	5.0
89.02460	6.5
93.03436	1.4
95.05020	3.8
97.02955	11.0
97.06595	6.9
99.00835	2.8
101.02451	10.8
106.04243	1.8
107.05008	4.4
108.02189	3.6
109.02963	2.2
109.06601	41.7
110.03747	3.2
113.02438	6.9
121.02977	1.7
121.06610	4.0
123.08168	3.8
123.39883	1.2
125.02451	2.4
125.05994	1.4
125.09737	18.9
133.06494	1.7
135.04489	1.3
135.08165	7.1
142.02637	1.3
145.05087	1.9
156.07962	1.3
161.04623	2.6
161.09721	4.5
163.11302	21.6
171.10254	5.5
175.11267	4.3
177.09325	1.3
179.10654	1.6
181.12360	5.4
185.11821	2.9
187.07544	1.7
187.09746	9.3
189.09296	1.6
191.10742	4.1
191.14665	1.5
203.10843	2.7
207.10280	87.3
208.10524	2.1
209.11836	29.2
217.12395	1.5
219.10263	4.2
219.13835	2.8
223.09750	4.0
223.13321	2.7
225.11333	42.9
229.12302	2.4
235.08206	4.5
235.13307	1.6
237.11292	4.6
242.08934	1.3
245.11905	3.0
247.09630	1.5
253.09224	7.6
261.11264	3.2
263.12900	8.4
273.11356	1.7
299.15143	1.7
327.19720	3.9
343.19138	3.2
345.20737	2.6
351.19669	2.0
353.17535	3.3
353.21313	2.4
361.20087	3.4
363.21622	1.8
369.20837	4.8
371.18573	6.5
371.22647	3.3
379.20883	2.2
387.21646	4.9
389.19397	8.0
397.20178	8.9
405.17746	2.3
405.22830	3.3
414.94046	1.6
415.21252	24.4
421.33588	1.4
423.18802	1.6
433.22189	6.4
443.19370	2.4
461.20404	10.8
525.37708	1.7
581.29407	1.9
597.29254	5.5
598.67670	1.8
607.27496	20.7
614.12726	1.4
623.30664	5.2
625.28674	44.4
626.29187	3.3
633.29132	16.1
634.29413	1.7
651.30280	100.0
652.30072	6.7
663.53613	1.5
669.31281	46.9
670.31287	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	669.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	2.4
59.01384	30.8
61.16252	1.9
61.71376	1.9
61.98837	25.9
69.18714	6.1
69.19122	7.7
71.01392	10.8
72.99300	2.0
73.02944	3.1
73.65686	1.9
85.02950	3.9
87.00845	4.9
89.02437	9.4
97.06543	3.2
101.02419	9.9
113.02446	5.5
116.92885	3.1
121.02923	2.9
125.09724	1.9
135.04539	2.4
139.04048	4.7
139.07617	2.6
150.06876	23.8
162.06836	3.9
163.07663	6.4
164.08424	5.3
171.10240	4.6
177.09218	3.4
179.05650	2.2
179.10803	17.8
189.69641	2.0
207.10272	3.2
209.11674	3.1
221.11792	2.6
225.11356	5.4
327.18005	3.9
507.29248	22.7
651.29669	3.9
669.35309	100.0
670.35944	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	669.3864
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
51.89577	0.8
57.03442	2.2
59.01382	9.0
61.98837	6.6
70.80828	1.5
71.01392	4.1
73.02946	1.1
81.29974	0.8
83.01402	1.6
85.02951	3.0
89.02464	2.0
99.00901	0.9
101.02438	1.7
113.02435	1.5
121.02928	1.0
135.04535	1.1
135.08173	0.9
149.06071	5.0
150.06877	39.7
151.07503	0.8
157.08867	1.0
161.09711	1.2
163.07677	9.9
164.08430	5.3
171.10268	2.3
176.08411	1.5
177.09207	1.4
178.09978	3.2
179.10780	14.9
207.10278	2.4
209.11861	1.3
223.09933	1.1
225.11258	1.4
253.37711	0.9
281.21317	1.0
327.21735	5.7
428.29544	0.9
443.31747	1.1
446.30392	10.3
447.31119	1.0
460.31848	1.3
461.32849	11.2
462.33054	0.8
488.31595	1.4
489.32175	3.0
506.32697	2.2
507.33264	24.1
507.40408	1.5
508.33768	1.3
571.55798	1.0
587.21881	0.9
651.29919	1.4
669.38702	100.0
670.39008	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	669.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19230	0.5
51.19508	0.4
55.01878	2.8
55.98273	0.4
57.03454	2.5
57.98017	0.4
58.00605	0.4
59.01384	25.9
59.40071	0.4
60.34944	0.5
60.97018	0.5
61.98832	1.2
69.51950	2.1
71.01386	22.2
72.99303	0.9
73.02951	7.5
74.07933	0.5
75.00882	0.5
83.01394	4.4
85.02468	0.7
85.02959	11.3
87.00877	2.3
89.02452	6.8
95.01382	2.1
97.02935	0.6
99.00926	2.5
101.02451	14.8
101.45871	0.5
102.02777	0.4
111.00894	2.6
113.01719	0.5
113.02457	7.0
114.40023	0.4
117.37807	0.6
119.03508	1.7
121.61929	0.4
129.01872	0.6
129.73439	0.5
141.01920	0.6
145.04189	0.5
159.02985	1.4
161.04559	1.9
179.05455	0.5
298.03577	0.5
325.27875	0.5
345.29974	2.4
366.34601	0.5
492.51331	0.5
507.35345	8.5
574.34497	0.6
633.36914	0.6
651.37708	1.7
669.40704	100.0
670.41083	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	670.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98833	100.0
65.80621	0.2
123.76498	0.2
159.14958	0.2
209.11815	0.3
260.69171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
61.98820	0.8
65.00340	0.7
70.24296	1.3
71.01374	1.8
74.45557	0.5
85.02955	0.8
87.00833	0.6
89.02452	1.3
99.00922	0.6
101.02477	1.3
107.01446	0.7
111.00917	0.6
114.69393	0.5
117.03438	0.5
121.02991	0.6
151.00331	1.9
155.05074	0.7
165.01984	0.6
169.06566	0.8
183.04507	1.6
189.05716	0.6
211.03993	1.7
213.05569	1.0
227.03563	3.8
255.03006	41.0
256.03470	2.5
258.04886	0.6
269.04550	0.9
273.17142	1.0
283.02496	100.0
284.03043	8.4
285.04053	19.7
286.04385	0.9
401.08582	0.7
417.65997	0.5
429.08279	3.8
430.09052	27.0
431.09763	8.4
438.60370	0.5
467.39789	0.6
489.10406	24.6
490.10922	1.6
560.34033	0.5
576.27234	0.5
635.16223	61.4
636.16595	6.6
671.37762	1.0
700.86865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14869	0.5
57.11063	0.5
59.01359	0.9
61.97061	0.4
61.98834	0.7
62.95137	0.5
72.83759	0.5
78.95936	0.5
94.02989	1.3
98.21810	1.2
108.02139	1.2
115.33971	0.6
119.02551	3.1
119.03250	0.6
120.00915	2.4
122.02489	4.6
123.03279	1.3
124.04053	1.8
133.01704	15.2
134.02542	2.9
143.07205	1.1
146.02472	1.2
147.02016	20.8
148.02803	27.7
149.01210	5.2
149.03575	53.7
150.01955	3.2
150.03917	1.3
159.02020	16.4
160.02789	12.6
161.03590	7.7
171.10275	3.5
177.03018	2.8
180.02992	4.1
181.03780	0.8
182.04588	2.2
191.99385	1.3
207.01750	1.6
207.10271	0.9
209.11908	2.7
211.05092	0.8
212.03542	1.0
225.11174	0.8
227.04608	0.9
228.05293	0.9
231.04042	0.7
238.06323	1.1
239.02376	0.8
239.04601	1.0
240.03027	1.6
241.03780	0.7
242.04494	0.7
253.05147	0.8
253.09221	0.7
255.04141	1.7
256.02463	1.8
256.04849	10.1
257.03058	0.9
263.16388	0.6
267.04111	1.3
267.06638	0.9
268.04916	1.7
268.07401	2.7
269.05746	1.8
271.07236	8.5
279.06793	0.8
281.08185	2.5
283.06927	3.7
283.09802	4.1
296.10507	1.9
298.08746	0.7
300.03857	1.3
309.11670	0.7
309.20670	0.9
315.06418	2.9
316.04602	0.9
331.06818	1.8
342.05051	1.5
346.08191	2.4
347.08914	8.1
348.49979	0.6
357.07224	0.7
398.89996	0.5
426.10126	0.7
473.17209	100.0
474.17322	5.9
563.17633	0.8
565.16339	1.1
577.20038	0.6
595.20825	9.3
596.20691	0.8
612.35565	0.6
633.79504	0.6
639.19806	26.1
640.20569	1.7
671.22296	2.9
671.33240	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	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03440	0.5
59.01384	11.2
61.98846	0.7
69.03440	0.7
70.20239	1.2
71.01382	6.1
72.99338	0.5
73.02961	1.4
80.02692	1.9
81.03455	3.6
83.01386	1.0
83.05041	7.0
84.02190	1.8
85.02966	1.5
87.00886	1.5
89.02459	4.4
93.03464	1.4
95.05038	1.3
97.02950	4.8
98.21969	0.5
99.00892	1.6
101.02449	5.7
104.67764	0.4
106.04238	0.5
107.05072	0.7
109.02946	0.6
109.06599	18.6
110.03745	1.9
111.00862	0.5
111.04546	0.8
113.02463	3.6
115.86672	0.4
119.03481	0.6
121.06577	1.6
123.08189	1.2
125.06072	0.8
125.09715	2.8
127.38115	0.4
135.08154	3.6
136.05295	1.3
142.02762	1.0
145.04987	0.7
147.11768	0.4
149.60545	0.4
154.07860	0.5
161.04547	1.2
161.09747	1.6
162.06859	2.1
163.11299	15.6
164.11626	0.5
165.12866	2.3
171.10294	3.8
177.09276	2.3
179.10812	0.9
181.12370	3.2
185.11865	2.5
187.09810	0.7
189.09186	1.2
191.10794	1.4
201.11331	0.7
203.10736	0.4
207.10272	54.7
208.10660	1.5
209.11838	100.0
210.12256	2.1
211.13316	0.5
221.11908	0.9
223.13467	0.7
225.11322	24.9
226.11656	0.8
227.12903	11.8
231.10234	1.0
235.08226	3.2
235.13538	0.9
243.12296	1.0
245.11777	0.8
247.13341	1.5
249.11320	1.8
253.09305	8.7
263.12878	1.3
265.14429	1.1
270.91803	0.5
281.13705	0.7
295.71561	0.4
299.14835	1.0
356.88562	0.4
371.21832	0.6
373.23804	0.7
381.20761	1.2
389.23355	0.5
399.21844	5.2
417.22897	6.4
418.23163	0.7
435.23886	0.9
440.24811	0.5
443.19241	2.2
445.20554	0.7
461.20218	8.2
462.20776	0.8
491.26266	0.6
493.29837	1.3
627.29999	0.7
635.30566	9.6
636.30908	1.0
651.89014	0.5
653.31842	13.1
654.32190	1.1
671.32690	21.0
672.33234	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96629	0.7
56.16441	0.7
57.03458	4.0
59.01382	16.0
61.38872	0.7
61.98845	5.0
62.94460	0.7
69.21627	3.5
69.22034	1.9
71.01385	7.6
73.02927	2.8
75.00852	0.7
78.95795	0.8
81.03472	0.7
83.05016	0.7
85.02933	3.6
87.00858	2.2
89.02454	5.2
93.33377	0.8
94.93111	0.8
95.05011	0.7
97.06551	0.9
98.22689	1.2
99.04541	1.8
101.02473	4.4
111.00867	1.2
113.02429	3.0
119.03485	1.1
121.02873	0.7
123.08156	2.0
125.02410	2.0
135.04530	1.2
136.05309	28.0
137.06027	0.9
137.09688	1.1
149.06104	5.4
149.09781	0.8
150.06857	5.6
161.04491	1.5
162.06845	1.0
163.07649	1.4
164.08405	2.9
165.09224	22.0
179.05589	1.8
179.10715	1.2
225.11296	0.8
229.10817	1.3
285.03644	0.9
316.01694	0.8
321.20566	2.6
343.21478	4.5
350.20831	3.4
412.25998	0.9
427.28345	3.2
445.29327	2.4
463.30853	7.2
464.31622	0.8
467.26154	2.6
473.28021	0.8
491.29959	2.6
508.29962	2.3
509.31183	25.8
510.31281	2.1
527.28497	2.5
556.74365	0.9
670.40814	2.1
671.36334	100.0
672.36810	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	671.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
57.68454	0.8
57.94492	0.8
59.01083	0.9
59.01382	12.8
61.98834	11.2
69.35998	0.7
71.01390	5.5
72.99299	0.9
73.02940	1.4
83.01371	1.1
84.85154	0.7
85.02965	3.1
87.00887	1.7
88.98794	1.8
89.02456	3.2
95.01379	1.1
97.06571	2.2
98.22620	1.9
99.04497	1.1
101.02457	2.4
104.82603	0.7
111.00887	1.4
113.02449	2.5
116.92877	1.4
119.03502	1.8
123.08156	1.6
125.02450	0.8
127.70533	0.9
134.03729	1.4
137.06018	0.8
141.85149	0.8
149.06079	2.1
150.05661	1.5
150.06873	30.9
162.06802	0.8
163.07686	6.0
164.08466	4.8
175.03972	1.0
179.05588	1.3
179.10786	19.3
193.05130	1.3
306.18356	2.6
321.20706	2.9
327.21802	1.1
329.19781	3.7
350.20947	1.8
445.29617	1.3
448.28241	1.9
462.30185	1.2
463.30713	7.8
467.26483	2.0
490.29538	0.9
491.30566	1.0
508.30356	2.1
509.31226	23.8
510.31366	1.9
671.36505	100.0
672.36664	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	672.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27032	0.3
59.01386	12.5
68.99820	0.3
69.24883	1.8
71.01389	7.4
71.34163	0.3
81.03498	0.6
83.01404	0.3
85.02959	1.5
87.00885	2.9
89.02451	9.5
93.03474	0.8
95.01380	0.7
95.05052	0.8
101.02438	3.2
105.03478	1.3
107.05066	0.5
108.02209	1.1
109.02975	2.5
111.00967	0.4
113.02470	3.0
119.03529	3.9
121.02950	0.9
122.03762	2.9
123.04543	26.6
124.04855	0.6
131.03519	0.6
133.02985	0.9
134.03751	0.5
135.04559	0.8
143.03525	1.2
146.22147	0.3
149.01193	3.2
149.02469	1.7
150.03239	26.2
151.04022	100.0
152.04404	1.8
153.05565	1.0
161.04565	1.2
175.03984	0.5
179.05643	6.9
180.03059	2.6
181.03810	1.5
181.05173	0.4
193.05080	1.2
196.06161	1.5
223.06204	0.4
229.98550	0.4
254.08569	0.4
262.95135	0.4
313.09317	45.9
314.09671	1.5
343.10306	0.3
396.12430	0.4
510.15805	0.4
511.91122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19419	0.3
54.17848	0.3
59.01396	0.5
61.98834	100.0
69.93353	0.9
90.02813	0.3
94.15532	0.4
143.07185	0.5
309.20795	0.4
315.24155	0.3
337.44653	0.4
581.48468	0.3
696.03363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40189	24.6
59.01388	65.3
61.98838	100.0
70.84717	32.6
71.01386	37.7
93.30086	27.3
101.02441	39.7
101.97593	28.1
131.57483	27.4
147.64339	25.9
149.39400	28.2
152.99728	32.2
161.18546	29.2
171.10291	86.6
187.09850	29.7
209.11830	41.8
223.13438	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01383	13.2
61.98835	6.5
67.01889	4.4
71.01380	4.6
73.02971	1.2
83.01396	1.0
83.04994	0.5
85.02958	72.0
86.03320	0.6
87.00875	0.6
89.02451	3.1
95.05032	1.2
97.02985	0.6
97.06592	2.0
97.95257	0.4
99.00888	0.6
101.02442	5.7
101.90737	0.4
103.01505	1.9
109.06606	0.8
111.00890	100.0
111.08113	0.6
112.01225	1.1
113.02460	2.0
113.09788	0.6
118.24206	0.5
119.03506	1.4
121.02927	0.6
123.08172	0.7
125.02432	0.7
125.06140	1.2
125.09734	0.8
129.01958	23.0
135.08173	1.0
137.09679	0.7
139.07663	1.1
141.09230	0.8
147.03264	1.5
151.11322	0.9
151.48306	0.5
154.99861	0.8
161.04578	1.7
163.11203	0.5
165.12872	1.9
167.10788	1.0
171.10323	0.6
177.12852	0.6
179.05678	1.2
199.13535	0.6
208.10788	0.6
209.11845	8.0
210.12096	0.7
219.17526	2.3
227.12895	3.9
235.08246	0.7
239.12831	0.8
251.12778	1.6
253.09329	11.5
253.28572	0.5
263.16525	14.3
281.17596	29.2
282.18008	1.1
287.20300	0.7
305.21240	0.9
314.09576	1.0
331.19150	2.0
333.21503	0.5
349.20166	1.1
476.15094	1.1
487.21933	0.6
517.26569	13.2
518.27155	1.2
565.23401	0.7
585.29333	0.9
629.28265	28.7
629.38617	1.3
630.28876	1.9
631.40167	1.1
641.26575	1.0
673.42224	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	673.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
59.01382	7.1
61.98838	1.0
67.01891	7.2
68.72057	0.4
69.03458	0.9
71.01389	2.9
73.02951	1.3
78.33997	0.4
83.01415	3.4
83.05046	1.6
85.02972	5.1
89.02450	2.4
91.32163	0.5
95.01346	0.4
97.06625	0.7
101.02461	3.5
111.00893	100.0
112.01231	1.3
113.02476	2.1
119.03500	1.1
122.06195	0.6
123.08199	0.8
125.09720	0.7
129.01985	1.6
134.06163	0.5
135.08197	0.5
152.07202	0.7
154.99866	10.4
155.10762	0.7
157.01457	1.3
161.04602	1.2
163.11328	1.5
165.12878	1.8
171.10341	1.1
177.09230	0.7
181.12321	0.7
199.13408	1.0
209.11850	38.7
210.12341	0.7
219.17610	2.5
227.12923	7.2
235.08418	0.8
247.13348	0.5
248.15788	0.5
253.09300	11.8
263.16534	7.9
281.17599	24.1
282.17938	0.9
287.20438	1.2
293.09241	0.7
331.19174	3.9
517.26587	5.7
567.27789	0.8
597.27808	0.5
611.27454	0.8
623.25372	0.8
629.28253	2.9
629.38721	1.0
641.26337	0.9
643.71411	0.6
672.40649	0.8
673.27832	0.6
673.41486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
61.98827	2.2
67.01897	7.6
69.03457	0.8
69.67576	1.4
71.01377	5.2
73.02953	1.2
75.00833	0.5
76.37957	0.5
80.02663	0.9
83.01373	2.5
83.05050	3.3
84.02150	0.9
85.02953	4.8
87.00868	1.0
89.02445	3.7
91.23158	0.5
91.52477	0.5
93.26633	0.5
95.69376	0.5
97.06606	1.0
101.02457	4.1
109.06552	0.5
111.00887	100.0
112.01215	1.4
113.02467	2.1
119.03515	0.7
123.08208	0.6
125.06120	0.9
125.09729	1.3
129.01958	1.4
135.08136	1.2
136.59207	0.5
139.07652	1.0
143.03467	0.6
153.12827	0.6
154.99872	7.1
157.01511	0.9
161.04485	1.2
162.06863	0.7
163.11290	2.3
165.12842	1.9
171.10280	1.2
177.09129	0.5
181.12299	0.8
185.11786	0.6
199.13370	1.0
200.08354	0.6
207.10330	0.7
209.11838	64.7
210.12236	1.0
219.17500	3.7
227.12888	9.9
235.08278	1.3
245.20105	0.5
247.13417	0.8
253.09302	13.0
263.16519	8.9
281.17584	23.5
287.20139	0.7
305.21234	0.8
331.19098	3.5
445.20682	0.6
517.26575	5.4
567.27838	0.9
589.61481	0.6
611.27405	0.7
613.32886	0.7
629.28168	3.0
629.37817	0.8
641.25128	0.6
655.32898	0.9
672.40686	0.7
673.31293	0.7
673.43018	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97179	0.6
59.01383	8.4
61.98824	2.3
64.75391	0.6
67.01893	7.0
69.37279	3.0
71.01396	4.1
73.02948	1.5
73.51049	0.8
73.52272	0.6
75.53524	0.7
80.02673	1.0
81.03468	0.7
83.01433	0.7
83.05035	3.1
85.02946	6.3
87.00930	0.7
89.02432	3.5
95.05012	0.8
99.00903	0.7
101.02456	5.3
109.06581	0.7
109.72061	0.7
111.00887	100.0
112.01232	1.1
113.02459	2.7
116.92856	0.9
125.06094	0.7
129.01965	1.8
131.03476	0.6
135.08240	0.6
136.53746	0.6
153.09143	0.7
153.47934	0.6
155.10863	0.9
161.04582	1.0
163.11304	2.8
165.12874	2.1
171.10335	1.5
185.11841	0.9
197.11685	0.6
207.10306	1.3
208.10632	0.9
209.11838	64.6
210.12241	2.1
211.12267	0.7
219.17522	4.1
227.12906	10.4
235.08322	1.5
237.18645	1.1
253.09299	12.1
263.16495	4.9
281.17590	33.8
282.18005	1.5
287.20306	0.8
313.18015	1.1
331.19092	6.3
445.20789	1.2
517.18896	0.5
517.26508	14.8
518.27301	0.8
567.28699	0.9
629.28320	2.8
647.88525	0.8
655.32959	0.7
673.32281	0.9
673.42999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96339	0.3
55.01890	0.5
56.74434	0.3
59.01387	9.5
61.98826	1.1
65.85935	0.3
65.96387	0.3
66.25959	0.4
67.01890	1.5
71.01382	3.3
73.02976	0.5
73.99482	0.4
80.02689	1.2
81.03453	0.9
83.01393	0.7
83.05044	3.7
84.02151	0.6
85.02962	14.3
85.03475	0.8
87.00865	0.5
89.02468	2.3
95.05009	0.6
97.06646	0.6
98.21754	0.7
101.02463	3.2
111.00896	28.4
113.02464	1.5
119.03516	0.6
125.06126	0.8
125.09749	1.3
127.07755	0.3
129.01956	3.4
135.08147	0.8
136.51241	0.4
139.07689	0.4
157.11041	0.4
161.04585	1.1
163.11317	3.5
165.12901	2.2
166.49799	0.4
169.08670	0.5
171.10254	2.0
179.10681	0.5
191.10808	1.1
207.10278	0.4
209.11852	100.0
210.12029	1.7
219.17589	1.0
227.12907	13.7
228.13170	0.4
235.08173	2.4
247.13374	1.0
253.09328	8.9
263.16519	2.4
281.17615	9.9
282.17996	0.5
331.19077	0.8
361.57816	0.4
445.21109	0.9
463.22089	0.4
517.26489	3.7
613.34930	0.6
629.28241	6.5
637.32654	0.6
655.33453	0.4
673.31866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04723	1.1
57.03438	1.3
59.01387	24.8
61.66390	1.1
61.98838	8.8
62.34087	1.0
65.58755	1.2
67.01889	8.6
71.01390	9.3
73.02985	2.6
75.00905	1.0
75.80077	1.1
82.23531	1.3
82.95424	2.3
83.01405	4.4
83.05029	2.6
83.38193	1.0
85.02947	13.7
89.02447	3.4
101.02457	5.8
103.43639	1.2
111.00895	100.0
111.08252	1.1
112.01254	2.3
113.02484	4.0
119.03531	1.5
121.02980	3.0
124.85078	1.3
125.06089	2.4
129.01962	7.0
135.08208	1.7
139.07649	8.3
144.57875	1.1
151.07646	2.2
154.99901	12.8
160.59444	1.1
161.02448	2.2
161.04651	1.7
167.03088	1.2
167.10808	1.5
171.10304	2.8
175.03978	1.2
177.09215	1.7
209.11853	23.3
219.17424	1.2
227.12964	8.4
246.57191	1.2
253.09311	8.7
263.16544	4.9
281.17590	17.8
287.20245	2.5
311.01901	1.7
331.19464	2.9
386.09143	1.5
394.80643	1.3
401.22845	1.6
451.34317	1.2
482.32959	1.3
517.26501	8.9
518.26794	1.5
533.33447	2.6
536.76855	1.2
629.29193	2.1
629.39020	5.8
631.40961	1.5
637.83673	1.7
672.40320	2.4
673.14594	7.1
673.32721	3.3
673.42249	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	673.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73880	7.2
59.01388	89.6
61.98835	100.0
71.01386	20.8
71.41611	7.8
73.02929	10.7
73.56047	6.6
75.74062	6.9
84.47759	7.5
85.02955	23.0
89.02455	13.7
96.56467	7.1
101.02422	14.6
111.00893	23.6
121.02967	15.2
123.13789	7.5
149.06236	8.7
162.72452	7.5
209.11816	28.7
460.51785	8.2
499.61850	7.6
515.01294	8.0
583.31293	9.8
613.32098	12.6
673.38263	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	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21088	0.2
57.03439	0.2
59.01383	2.8
61.98832	0.2
67.01885	0.3
69.03460	0.3
70.51949	0.4
71.01392	2.2
73.02962	0.4
80.02694	1.3
81.03465	1.3
83.01394	0.6
83.05035	4.0
84.02168	0.7
85.02959	0.8
87.00886	0.3
87.25542	0.2
89.02436	1.2
95.05038	0.4
95.66924	0.2
97.06572	0.3
101.01895	0.2
101.02464	1.5
109.06554	0.3
111.00888	3.8
111.08148	0.2
113.02465	0.9
119.03525	0.4
125.06053	0.5
125.09774	0.3
129.01996	0.3
133.37212	0.2
135.08188	0.6
138.09862	0.2
147.11847	0.3
149.04646	0.2
161.04550	0.9
163.11304	3.6
165.11533	0.3
165.12848	2.1
171.10295	2.2
179.05542	0.4
181.12408	0.4
183.14021	0.2
185.11858	0.2
191.10809	0.9
191.85493	0.2
207.10271	0.4
209.11841	100.0
210.12164	3.1
216.63866	0.2
217.42430	0.2
221.11974	0.2
227.12898	12.9
235.08199	1.2
247.13387	1.2
249.15001	0.2
253.09320	5.9
263.66666	0.2
265.14313	0.5
281.17548	0.8
374.66376	0.2
380.88770	0.2
386.89978	0.2
401.23209	0.4
445.20993	0.6
459.97696	0.2
517.26959	0.3
613.32715	0.4
629.29828	0.3
629.39539	0.3
637.32605	0.6
655.32947	0.2
673.42413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
59.01384	3.1
61.98828	0.4
67.01891	0.3
70.20851	0.2
71.01376	1.9
71.05022	0.3
73.02951	0.7
80.02666	1.0
81.03455	1.1
83.01392	0.4
83.05033	4.0
84.02169	0.7
85.02943	0.6
89.02449	1.0
95.05029	0.5
101.02425	1.7
109.06591	0.3
111.00897	3.2
111.08121	0.2
113.02454	1.1
117.06501	0.2
125.06066	0.6
135.08185	0.7
161.04590	1.0
163.11287	3.7
165.02026	0.3
165.12849	1.9
171.10303	2.4
185.11798	0.2
191.10786	0.7
207.10408	0.3
209.11838	100.0
210.12138	2.6
221.11903	0.4
227.12909	12.8
228.13225	0.4
235.08264	1.5
247.13397	1.1
253.09294	6.1
263.16559	0.5
265.14355	0.6
281.17581	0.9
393.21976	0.2
401.23209	0.3
419.24301	0.4
445.21011	0.7
608.49445	0.2
611.31537	0.3
637.32202	0.8
641.43610	0.3
655.32880	0.4
673.42139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4175
Annotation	CHEBI:67338
Peak:m/z	Relative Intensity
53.73130	0.8
57.03453	0.9
59.01384	29.7
61.98836	18.1
67.01863	1.0
69.24434	1.8
69.24837	3.5
69.64034	1.1
71.01396	8.6
72.99339	1.1
73.02961	2.7
76.10184	0.9
79.95776	1.4
83.01385	1.9
83.05047	1.9
85.02959	6.8
87.00896	1.5
88.98862	1.3
89.02461	5.9
94.98085	1.4
98.21870	1.9
99.00898	0.9
101.02460	6.6
111.00896	19.3
113.02445	4.5
116.92869	1.3
119.03530	1.5
121.02995	6.0
122.06143	1.3
125.06100	2.1
128.03561	2.2
129.01967	2.9
134.06169	2.7
135.08191	5.3
137.06078	2.0
139.07674	3.1
151.07655	1.6
152.06097	1.0
152.07242	2.7
153.09267	2.0
161.04604	1.6
163.11346	1.3
165.12909	1.3
171.10295	2.8
175.03946	1.6
179.10860	1.1
187.09712	1.0
197.11778	1.2
199.13411	2.8
209.11833	35.2
210.12296	2.4
225.11371	1.0
227.12930	11.4
253.09383	4.3
307.19232	2.8
316.09799	0.9
317.90179	1.0
325.20013	1.5
357.20596	1.1
372.14474	1.0
432.15732	2.0
433.33383	2.9
451.27661	2.1
451.34442	15.0
452.34396	1.1
463.21759	1.4
469.35300	1.2
493.35553	6.4
502.00766	1.1
511.36209	1.5
543.28467	1.6
545.29492	1.6
597.23401	2.9
629.26630	2.3
629.39136	3.2
631.40875	7.1
641.23181	1.6
645.87292	1.1
673.41992	100.0
674.42627	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	673.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26068	59.3
67.53743	51.3
70.27419	64.9
70.27750	100.0
73.23009	51.7
74.57965	61.0
109.19850	61.8
135.10866	56.6
155.37468	85.8
273.36563	66.0
376.93109	69.6
658.22229	58.4
676.41632	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03456	1.3
59.01384	22.8
61.98834	14.6
63.08751	0.9
69.22765	4.3
69.23176	1.8
71.01380	13.8
73.02948	6.2
83.01389	3.0
85.02957	11.6
87.00893	1.6
87.04510	5.0
88.04015	1.6
88.98815	2.3
89.02467	5.5
93.03456	3.0
98.22688	1.7
99.00893	1.2
99.04481	2.0
101.02451	9.0
111.00885	14.8
113.02464	4.6
116.92828	1.3
119.03516	3.4
121.02970	1.6
123.04490	1.0
125.02392	1.0
129.01971	1.9
131.07137	1.5
135.04651	1.2
136.01724	1.3
136.72849	0.9
137.02466	4.7
143.07124	4.4
149.02600	0.9
149.04550	1.3
151.03958	1.1
156.06566	1.1
160.01717	1.0
161.04570	2.5
161.05914	0.9
174.75836	1.1
175.03973	2.1
179.05586	1.2
185.90462	1.2
187.11316	1.4
190.91582	1.0
191.05595	2.5
193.05132	1.9
205.12311	0.9
283.02591	1.9
302.23383	2.9
303.21414	1.0
329.13885	2.3
346.25870	2.1
419.26489	1.3
447.25952	2.1
464.28662	9.5
465.27036	9.2
495.22351	4.1
533.44940	1.0
587.26947	1.4
608.36853	5.6
614.24750	1.6
615.34064	2.0
636.36096	3.1
638.37573	100.0
639.37592	5.5
674.35431	24.8
675.35577	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40158	0.4
53.60275	0.4
59.01382	58.3
60.01731	0.5
64.58701	0.4
69.06960	3.4
90.97130	0.5
112.95309	0.4
121.01384	0.4
132.98212	1.6
150.65742	0.5
157.03574	0.5
174.99261	29.3
190.38684	0.4
192.95885	1.0
201.02545	4.4
204.03152	0.5
217.00307	100.0
218.00661	1.7
291.39456	0.5
359.01437	9.7
374.99219	58.1
375.99646	1.5
498.89856	0.4
517.00366	1.6
532.98206	11.7
533.99133	0.7
687.27264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.3
61.98838	19.0
71.01363	4.8
85.99992	2.6
89.02462	2.6
98.22625	6.6
105.48022	2.6
111.00907	4.8
116.96001	2.5
121.01710	5.1
149.01199	50.5
150.56718	2.8
169.12323	3.7
173.01161	5.7
180.03065	7.4
181.03902	5.4
184.05336	3.5
199.02722	5.7
201.00729	2.6
202.01234	3.0
207.10289	3.4
209.11900	19.5
210.12204	9.5
225.11386	4.6
227.12801	3.3
227.83583	3.5
243.01759	20.3
255.03049	3.4
268.99426	3.5
270.00421	32.6
296.74078	2.5
305.03287	4.5
307.01135	4.1
333.02914	7.4
334.03653	5.8
336.01431	11.7
337.02252	8.2
348.05145	3.6
349.02213	12.6
360.01428	3.2
364.04605	6.6
365.75409	2.7
377.01987	6.4
378.02274	5.7
392.04156	18.4
424.06888	12.6
435.02301	3.4
436.03046	7.6
450.04752	6.8
451.05325	7.6
452.05759	4.0
478.04346	6.6
591.01257	3.6
593.08325	4.1
647.11713	88.0
648.11792	9.0
652.77887	2.8
661.25861	3.1
675.11127	100.0
675.31915	4.9
676.11285	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	675.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.98842	7.7
65.05959	0.5
68.25424	0.5
107.01397	0.9
108.68165	0.5
117.03485	1.7
117.06806	0.4
128.32114	0.5
151.00386	1.5
155.05067	0.7
159.04543	1.2
171.04559	0.9
183.04514	5.9
187.04140	0.4
209.11882	0.7
211.04013	2.9
227.03552	3.8
237.97664	0.4
255.03014	49.4
256.03403	2.0
283.02509	100.0
284.03024	4.9
285.04074	24.2
286.04248	0.9
441.08209	1.6
457.07861	1.3
458.08594	29.8
459.09244	4.2
500.09668	18.0
501.10388	14.2
502.10809	0.7
550.37671	0.6
615.13818	0.8
633.14728	0.6
663.40839	0.5
675.15704	40.2
676.15771	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	675.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45663	0.4
59.01384	5.2
61.98836	0.9
64.49335	0.3
65.00341	0.7
69.78577	0.3
71.01389	1.1
73.02938	0.4
76.30944	0.3
83.05032	0.5
85.02940	0.7
89.02441	0.6
93.31861	0.3
98.22637	0.7
101.02477	0.8
101.43050	0.4
107.01393	1.0
111.00931	0.3
117.03473	1.5
121.02958	0.5
127.03941	0.4
135.00856	0.4
141.03510	0.4
151.00369	1.9
154.35930	0.4
159.04538	1.3
171.04465	0.6
179.29886	0.4
182.03703	0.4
183.04520	5.2
185.02426	0.5
205.92969	0.5
209.11807	2.6
210.12187	1.4
211.04042	2.8
227.03540	3.1
227.12936	0.7
244.47342	0.4
255.02994	48.9
256.03320	1.2
283.02490	100.0
284.02927	4.6
285.04065	6.5
457.07751	2.2
458.08566	49.4
459.09116	5.4
500.09546	2.0
501.10632	1.4
573.12476	0.6
604.90741	0.5
615.13416	0.5
674.42212	0.5
675.15680	29.4
676.16162	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
59.01387	4.9
61.98837	10.5
65.00343	0.6
71.01389	1.1
73.02959	0.4
82.95377	0.3
83.01411	0.3
85.02959	0.8
89.00308	0.2
89.02454	0.7
93.03465	0.5
96.96012	0.5
99.00903	0.3
101.02469	0.6
107.01397	0.9
111.00881	0.4
113.02469	0.5
117.03497	1.6
121.02961	0.7
125.06149	0.3
139.07658	0.3
141.03464	0.2
151.00423	1.4
155.05020	0.4
159.04539	0.8
160.01608	0.3
171.04543	0.7
171.10280	0.4
182.03725	0.6
183.04550	3.8
185.02454	0.3
197.11792	0.4
199.03896	0.2
209.02376	0.3
209.11845	1.2
211.04037	2.7
227.03499	2.8
227.12874	0.3
228.13263	0.3
255.03004	43.2
256.03403	1.6
283.02499	100.0
284.02960	4.6
285.04083	4.2
301.00198	0.3
415.06955	0.5
416.07535	26.2
417.07840	1.1
457.07471	0.6
458.08606	16.7
459.08936	1.3
501.10468	1.1
543.11768	1.6
570.13007	0.3
573.12744	0.4
615.13507	0.7
633.14191	0.4
674.42792	2.4
675.15704	35.6
675.41101	1.0
676.15942	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	675.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24340	0.2
56.85072	0.2
59.01394	1.7
61.98843	1.2
63.02416	0.4
65.00347	0.5
69.50250	0.2
69.50587	0.9
71.01389	0.5
72.73158	0.2
73.12794	0.2
74.56810	0.2
83.01403	0.4
89.02428	0.2
89.06562	0.2
93.03478	0.4
95.06933	0.2
98.21909	0.3
101.02444	0.2
107.01402	0.7
111.00899	0.4
112.84267	0.2
117.03464	1.4
135.00954	0.3
137.82564	0.2
141.03462	0.3
151.00394	1.1
155.04968	0.5
159.04529	0.6
164.64757	0.2
171.04482	0.4
171.10333	0.4
173.06050	0.3
182.03793	0.5
183.04535	4.2
185.02550	0.4
187.04015	0.3
190.14653	0.2
197.11812	0.3
199.04022	0.4
209.11855	0.6
211.04015	2.8
227.03539	2.6
239.03648	0.3
254.37646	0.2
255.03008	44.3
256.03430	1.2
282.01706	0.4
283.02499	100.0
284.02939	4.3
284.12827	0.2
285.04056	1.8
381.06113	0.4
415.06793	0.8
416.07526	42.6
417.07977	2.2
454.03442	0.2
483.09402	0.3
543.11578	1.8
551.00659	0.2
573.12793	0.6
615.13568	0.4
633.14624	0.4
675.15717	29.3
676.15845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.9
61.98827	0.3
66.58351	0.2
67.01894	0.8
67.08439	0.3
69.35298	1.0
69.93037	0.2
71.01397	1.4
73.02944	0.4
81.03447	0.3
82.02978	0.7
83.01395	0.2
83.05046	0.4
85.02956	6.4
85.25170	0.2
87.00879	1.6
89.02448	0.4
93.03468	3.7
96.96009	0.6
99.00883	0.3
99.04512	0.3
100.04047	0.4
101.02437	0.3
109.02975	0.4
111.00886	2.9
111.04508	1.1
113.02418	0.3
117.03466	0.2
119.05042	0.6
123.00897	0.2
125.02457	0.2
127.04018	1.3
131.03523	0.2
138.12480	0.2
138.62985	0.2
145.02972	0.5
149.04543	0.4
160.04062	0.8
163.04019	1.0
171.03029	0.5
173.04532	1.6
175.31433	0.2
190.13844	0.2
191.05629	100.0
192.05983	2.3
218.13324	0.2
248.09256	0.8
251.66580	0.2
265.09061	0.2
276.84973	0.2
337.09314	23.0
338.09708	1.3
465.81320	0.3
625.18958	0.2
631.26025	0.9
638.63995	0.3
675.19031	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92440	0.3
59.01388	2.6
61.29528	0.3
67.01891	1.9
69.03453	0.6
69.26812	1.5
69.27231	0.6
71.01382	1.5
81.03476	0.7
83.05041	0.7
84.77578	0.4
85.02956	12.0
85.03479	0.7
87.00877	4.8
93.02873	0.7
93.03469	13.1
96.91362	0.4
98.21916	0.9
99.04515	0.4
109.02981	0.8
111.04525	3.1
114.02203	0.4
119.05032	2.8
127.04045	3.6
129.01990	0.4
143.05045	0.8
145.02971	0.5
153.01912	0.4
155.03528	0.7
163.04047	1.5
171.02914	0.5
173.04559	5.2
191.05640	100.0
192.05971	2.2
193.05113	0.5
211.07680	2.9
217.08633	0.6
265.08752	1.2
283.09705	0.5
327.08856	3.0
337.09384	0.8
419.80994	0.4
483.13165	1.0
501.13950	1.1
675.19330	39.6
676.19775	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	675.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23293	12.9
55.97162	11.7
59.01381	75.0
61.98825	14.1
69.64573	14.2
69.64899	51.9
71.01390	26.7
73.11807	11.3
89.02463	20.2
101.02474	28.9
113.02586	11.4
121.02969	30.6
122.06109	13.7
135.67795	11.7
152.07149	29.5
201.10399	16.2
212.97891	15.7
229.09886	17.9
239.11954	15.2
283.02496	17.4
301.12021	15.7
319.12964	60.4
392.16147	16.0
581.24316	15.0
599.25085	38.3
643.24072	100.0
675.34271	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	675.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42112	45.7
57.01110	70.4
59.01385	90.6
69.58728	51.2
70.91699	83.2
77.47523	57.0
79.92359	51.2
171.10316	100.0
218.03366	54.5
277.21765	53.0
362.94431	63.2
641.45850	61.3
675.34778	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36507	0.2
55.01880	1.8
57.03453	1.5
58.00372	0.2
58.00596	1.0
59.01385	64.2
60.01722	0.2
61.98838	0.5
65.11799	0.2
68.99828	0.5
69.03464	3.1
71.01389	45.3
72.01739	0.2
72.99313	1.4
73.02955	7.9
73.98483	0.2
75.00880	1.2
78.95928	0.2
81.03469	2.5
83.01394	5.6
83.05054	0.6
85.02961	9.5
86.00110	0.5
87.00885	10.0
87.04527	0.5
89.02455	37.3
90.02789	0.2
91.04016	0.9
93.03455	0.4
95.01395	3.0
95.05048	0.2
95.91107	0.2
97.02962	7.9
99.00893	2.9
99.04548	0.3
101.02453	35.6
102.02821	0.4
103.00359	0.3
103.04050	0.5
107.03517	0.2
109.02975	0.8
111.00896	0.7
111.04512	1.2
112.01680	0.4
113.02463	17.8
115.04047	1.1
119.03518	11.5
121.02991	0.6
123.00912	0.5
123.04557	0.6
124.01672	0.6
125.02460	14.5
127.04041	0.6
127.07678	0.4
129.01968	0.2
131.03528	2.1
133.05052	1.2
137.02484	0.2
139.03990	1.1
141.01953	0.8
143.03514	6.5
149.04578	1.2
151.04022	0.2
157.05049	0.2
159.03017	0.3
161.04579	8.5
167.03534	0.7
169.05127	0.6
171.03026	0.3
179.05629	7.0
181.05136	0.3
185.04576	0.8
191.05679	0.2
199.06126	0.5
203.05655	0.7
217.07147	1.1
219.05122	0.5
221.06693	2.6
233.22713	0.7
235.08243	15.1
236.08658	0.2
245.06694	0.8
253.09293	3.9
259.20660	0.5
263.07687	1.8
275.20206	0.5
277.09668	1.4
277.21747	100.0
278.22052	3.7
287.07782	3.5
288.07874	0.2
291.23248	0.4
305.08850	4.0
323.09854	2.0
361.11478	0.8
379.12643	1.1
397.13525	79.8
398.13843	2.8
415.14597	33.3
416.14838	0.9
628.05634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03447	1.0
57.32669	0.2
58.00599	0.8
59.01385	58.6
61.98841	1.6
68.99827	0.6
69.03463	2.7
71.01388	42.7
72.01743	0.4
72.99316	1.5
73.02950	7.9
75.00887	1.1
78.95901	0.3
81.03459	1.8
83.01393	5.6
83.01891	0.3
83.05034	0.4
84.02162	0.3
85.02962	8.1
85.22939	0.2
86.00133	0.4
87.00884	8.8
87.04525	0.5
89.02453	33.9
91.04028	0.6
93.03448	0.6
95.01395	2.8
95.05050	0.3
97.02956	6.8
98.22652	0.8
99.00895	2.5
99.04541	0.6
101.02453	34.4
102.02775	0.4
103.04038	0.5
109.02956	0.8
111.00890	0.6
111.04515	1.6
113.02462	16.9
114.02789	0.3
115.04043	1.0
119.02659	0.6
119.03516	11.1
121.02985	0.5
123.00911	0.4
124.01712	0.4
125.02464	12.8
125.78079	0.2
127.04027	0.6
131.03525	2.2
133.05090	1.1
139.04042	1.1
141.01965	0.8
143.02405	0.4
143.03510	6.8
144.36121	0.2
145.05093	0.3
149.02548	0.3
149.04567	1.1
161.04573	8.4
167.03558	0.9
169.05121	0.5
171.03026	0.4
179.05614	6.5
181.05048	0.3
185.04552	1.0
199.06168	0.6
217.07205	1.3
221.06691	2.5
233.22861	0.6
235.08234	15.4
236.08510	0.4
245.06758	1.2
253.09285	5.1
259.20731	0.4
263.07736	1.6
275.20206	0.5
277.09372	1.1
277.21747	100.0
278.22079	4.2
282.12659	0.3
287.07733	3.0
305.08826	3.3
323.09848	2.0
361.11667	0.5
377.25052	0.3
379.12378	1.1
397.13528	82.8
398.13922	2.9
415.14594	35.8
416.14865	1.6
569.01141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15208	8.8
59.01376	37.2
61.98837	80.6
65.56731	7.4
69.16925	45.5
71.01388	28.2
72.91233	9.4
75.77185	8.1
98.22797	7.8
101.02499	13.2
107.19877	8.3
111.00901	22.4
119.67040	7.4
121.02967	100.0
137.28638	9.0
181.08759	9.7
209.11850	27.4
283.02548	18.0
284.03052	19.0
379.22186	8.2
474.14658	9.5
593.85077	9.7
675.39709	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	676.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.9
61.98837	2.4
67.01896	1.1
71.01388	4.1
73.02950	1.2
85.02951	2.3
87.00890	5.0
89.02421	1.9
92.02695	1.4
93.03460	21.3
95.01411	0.9
101.02448	2.5
104.23226	0.8
108.02172	2.5
109.02952	12.4
111.00893	7.1
112.01225	1.9
114.05618	20.6
116.50928	1.2
121.02960	2.3
123.00892	1.2
123.04476	1.1
135.04596	1.1
136.01686	8.4
137.02461	31.2
145.02950	1.5
146.03731	2.9
147.04530	1.7
151.04047	6.7
156.06670	20.8
157.06882	1.0
158.33211	0.8
160.05290	1.2
161.02554	1.4
161.06105	2.9
172.05315	1.4
175.03989	7.0
176.04829	6.2
189.05542	3.5
190.06415	4.3
191.05614	1.8
191.07172	8.3
250.06451	0.9
251.07150	3.4
255.02869	1.3
258.28625	0.9
261.05585	1.5
266.05716	1.3
267.06622	8.3
278.05896	1.0
279.06616	12.0
282.08978	4.0
283.02521	1.5
293.08194	1.6
294.09015	7.0
296.10522	1.3
297.07724	3.8
297.11301	10.0
298.11414	1.3
309.11316	1.5
312.10056	17.2
315.12201	2.0
327.12396	100.0
328.12827	5.2
344.27017	0.9
345.13428	8.1
357.13483	16.3
375.14465	7.5
561.44550	1.0
594.02692	1.0
616.24060	14.1
632.26776	1.2
634.25262	1.0
676.26001	20.2
676.35876	2.3
677.26569	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	677.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.6
60.99334	0.2
61.98829	0.8
63.02410	0.6
65.00335	0.5
65.87632	0.2
69.13971	0.6
69.14370	1.3
71.01381	1.2
73.02924	0.5
75.89710	0.2
83.01406	0.8
83.05025	0.3
85.02964	0.6
87.00887	0.7
88.98811	0.7
89.02457	0.9
93.03448	0.5
96.96013	0.6
97.49062	0.3
98.22640	0.4
101.02439	0.9
107.01403	0.8
111.00848	0.6
113.02471	0.7
117.03487	0.9
121.02969	2.6
131.51260	0.2
135.00861	0.3
143.04990	0.2
145.02979	0.3
151.00400	2.4
153.01917	0.6
154.04237	0.3
155.05038	0.5
159.04520	1.0
161.13338	0.5
169.06648	0.6
171.04518	0.6
173.02406	0.3
179.05591	0.4
182.03644	0.5
183.04553	3.2
185.02452	0.4
185.06123	0.4
187.04039	0.6
187.11266	0.8
195.04430	0.3
195.93961	0.3
199.03952	0.3
205.12355	0.4
209.02345	0.3
211.03961	2.5
213.05559	0.9
214.02629	0.3
215.03560	0.5
227.03561	3.6
227.64261	0.2
228.03918	0.3
229.04990	0.5
243.03047	0.2
255.02998	42.5
256.03339	1.9
257.04584	0.8
282.01794	0.3
283.02493	100.0
284.02966	7.5
285.04068	22.2
286.04404	1.0
327.05096	0.3
430.09064	24.9
431.09760	12.1
432.09949	0.5
497.24011	1.4
531.11432	7.1
532.11841	0.5
617.15240	1.6
635.15790	0.3
677.17273	50.6
678.17627	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	677.1727
Annotation	Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside
Peak:m/z	Relative Intensity
52.33386	0.1
58.06824	0.1
59.01365	2.6
63.02425	0.5
64.33086	0.1
65.00063	0.1
65.00323	0.7
83.01389	0.5
85.02953	0.2
91.97147	0.1
93.03487	0.5
101.02432	0.3
107.01395	1.2
113.02405	0.3
117.03448	1.0
121.02932	0.4
133.02930	0.2
135.00922	0.2
143.05020	0.3
151.00371	2.6
154.04263	0.4
155.05023	0.5
159.04538	0.9
167.05016	0.4
169.02835	0.2
169.06607	0.5
171.04547	0.4
173.02420	0.3
173.06006	0.2
182.03770	0.3
183.04532	3.4
185.02452	0.5
185.06029	0.4
187.04034	0.8
189.05598	0.4
197.26120	0.2
199.03922	0.3
211.03978	2.9
213.05582	0.8
214.02689	0.3
215.03589	0.4
227.01288	0.2
227.03519	3.5
228.04111	0.2
229.05139	0.4
239.03510	0.5
243.02998	0.2
243.65002	0.1
254.02452	0.2
255.02989	49.1
256.03360	2.1
257.04572	0.6
267.02859	0.2
282.01733	0.2
283.02487	100.0
284.02997	6.1
285.04053	18.9
286.04413	0.8
401.08878	0.4
429.08194	2.1
430.09064	41.8
431.09735	12.1
432.10129	0.5
447.64499	0.1
453.21353	0.2
471.09497	1.1
472.09851	0.3
473.10934	0.3
489.10373	0.5
531.11426	9.3
532.11877	0.6
617.15088	2.0
618.15277	0.3
635.16205	0.8
677.17242	26.6
678.17767	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	677.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63160	0.3
59.01375	1.5
61.71411	0.3
63.02409	0.5
65.00342	0.8
71.01374	1.2
83.01400	0.6
85.02944	0.4
89.02441	0.9
93.03461	1.0
98.21910	1.1
101.02464	0.6
107.01406	1.1
117.03495	1.2
121.02929	0.3
137.02464	0.4
143.05026	0.5
145.02963	0.4
151.00359	2.0
154.04230	0.9
155.05092	0.8
159.04524	1.3
163.00392	0.7
165.01939	0.5
167.05081	0.7
169.06604	3.0
171.04524	1.0
173.02426	0.6
182.03769	0.8
183.04530	3.6
185.02412	0.5
185.06096	1.9
187.04041	1.7
189.05551	1.7
195.04489	0.5
199.03922	0.8
211.04022	2.8
213.05563	3.0
214.02725	1.1
215.03537	0.9
226.02744	0.4
227.03532	6.3
228.03922	0.6
229.05107	1.4
239.03532	0.8
241.05016	0.7
243.03029	1.8
255.03000	51.7
256.03589	3.0
257.04553	3.2
267.02963	0.5
283.02499	100.0
284.03067	8.7
285.04062	94.0
286.04385	4.8
429.08334	0.5
430.09082	19.9
431.09848	59.8
432.10159	3.7
464.49548	0.4
471.09018	0.8
472.10107	2.6
473.11038	0.6
489.10632	0.7
515.28790	0.9
531.11560	5.2
532.11761	0.4
617.15198	1.5
677.17273	33.6
678.17505	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	677.1749
Annotation	Kaempferol 3-(4'',6''-diacetylglucoside)-7-rhamnoside
Peak:m/z	Relative Intensity
59.01363	3.5
61.98831	1.0
65.00346	0.5
69.19482	1.1
69.19865	0.7
71.01383	1.5
73.02934	0.7
85.02944	0.9
85.77817	0.3
89.02447	0.5
89.67529	0.4
93.03519	0.5
98.31969	0.3
100.21468	0.3
101.02452	0.7
107.01379	1.1
111.00868	0.8
113.02489	0.3
117.03465	1.1
121.02972	0.8
127.04038	0.8
129.01949	0.4
133.49760	0.4
138.05112	0.4
145.30859	0.3
151.00371	1.7
159.04547	0.7
167.04971	0.4
171.04561	0.5
182.03659	0.5
183.04526	4.0
185.02357	0.6
193.05125	0.5
199.03996	0.4
211.04057	2.4
227.03542	3.7
243.02945	0.6
255.02997	50.4
256.03336	2.5
257.04657	0.4
283.02490	100.0
284.02982	6.9
285.04062	10.1
286.04443	0.6
411.06888	0.4
429.08273	2.8
430.09061	44.0
431.09647	6.1
450.07901	0.4
471.09579	1.7
497.24225	0.6
515.28351	0.4
516.56763	0.5
531.11438	20.4
532.11908	1.5
617.15112	1.4
677.17273	23.7
677.34149	1.2
678.17725	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	677.259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	81.7
61.98841	100.0
71.01385	37.6
81.89016	10.7
84.89423	12.2
89.08308	9.5
100.57730	9.9
101.02442	20.8
111.00923	10.4
113.02450	16.5
116.92873	53.4
121.69590	12.7
171.10298	23.6
179.07147	30.8
185.11880	14.4
197.08136	16.9
197.11835	24.4
199.60889	12.3
207.10286	75.3
209.11836	12.2
209.33342	11.5
220.37492	11.2
225.11378	45.7
253.09285	32.6
295.76462	11.6
387.18362	14.4
461.20508	36.1
579.24402	19.1
597.25391	44.3
605.26819	17.7
623.27277	65.2
641.27673	37.3
677.25256	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.1
55.79934	0.3
56.51041	0.3
57.03450	1.2
58.00603	0.7
59.01385	51.2
59.05412	0.3
59.70490	0.3
61.98835	1.1
68.99809	0.4
69.03455	2.2
71.01389	34.4
72.99319	1.4
73.02953	7.2
75.00884	0.6
81.03441	1.8
83.01397	3.8
85.02957	7.5
86.00106	0.4
87.00884	8.6
87.01378	0.5
89.02451	30.4
95.01384	2.3
97.02956	6.5
98.22708	0.7
99.00903	2.4
99.04520	0.5
101.02452	28.9
103.04028	0.5
111.00923	0.9
111.04546	1.0
113.02461	13.7
113.54569	0.4
115.04034	0.6
119.03512	9.6
119.04320	0.6
119.12124	0.3
121.02972	0.5
125.02454	12.0
127.04015	0.5
131.03494	1.6
133.05096	1.0
139.04050	1.0
141.01973	0.6
143.03514	5.7
149.02461	0.3
149.04584	0.9
151.22440	0.3
157.05074	0.4
161.04579	7.1
167.03496	0.7
169.04999	0.4
179.05620	7.3
185.04555	1.0
199.06206	0.7
203.05629	0.6
209.11874	0.6
217.07195	0.9
219.05095	0.7
221.06616	2.1
235.08238	12.1
235.10617	0.6
245.06702	0.5
253.09296	3.2
261.22256	0.5
263.07666	1.6
265.83209	0.4
277.09323	0.9
279.23312	100.0
280.23697	3.9
287.07724	3.0
293.24716	0.5
305.08823	4.2
314.23032	0.3
322.91159	0.3
323.09882	1.8
361.11224	0.5
379.12463	0.8
397.13528	77.9
398.13965	2.2
415.14587	32.5
416.14914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12712	0.3
51.13907	0.3
51.53696	0.3
51.63616	0.3
52.89045	0.3
59.01384	100.0
60.01706	0.6
61.98849	0.5
69.42556	1.2
71.01383	0.5
81.03458	2.4
83.05037	4.6
84.05335	0.3
101.02486	0.4
109.85175	0.3
121.02969	52.0
122.03306	0.6
161.31085	0.3
207.15063	0.5
224.17653	0.6
225.16072	3.2
226.16457	0.4
227.03461	0.3
255.03050	2.0
256.03329	1.9
271.02539	1.4
283.02499	6.2
284.02835	5.5
285.03723	0.9
286.04340	0.8
299.01904	3.5
362.15988	0.4
388.17715	1.5
404.16937	0.4
420.14282	0.5
430.08878	0.9
431.09280	2.1
451.33023	1.5
452.33160	0.5
462.08038	0.4
474.07745	0.7
484.19708	1.0
494.18774	0.5
497.19290	0.3
510.20734	0.4
517.10236	0.5
526.20740	3.1
531.11639	0.4
532.11572	0.5
558.23376	0.5
576.23749	0.4
618.25427	0.6
677.49744	19.5
678.17676	6.5
678.50006	13.3
679.15771	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84174	1.5
59.01381	42.3
61.56041	1.3
67.01936	1.4
69.96797	5.2
71.01389	5.5
73.02921	1.8
74.94429	1.6
75.00854	1.5
75.77184	1.4
85.02940	8.2
87.00896	17.5
88.56211	1.4
89.02454	5.4
93.03468	4.6
95.87952	1.7
98.22002	2.0
101.02462	1.5
103.00392	14.1
112.98724	1.8
113.02451	2.6
116.92821	1.5
117.10308	1.5
127.04022	1.9
130.99884	11.7
133.03001	2.1
134.02739	2.3
134.03757	38.6
135.04547	2.1
143.95453	1.5
149.00911	7.9
149.04477	1.5
149.06088	11.2
160.04031	4.8
161.02428	3.4
161.04414	1.9
161.08189	5.3
173.04448	2.0
175.04027	4.4
178.02704	12.7
191.05629	93.2
192.05977	3.9
193.05067	100.0
194.05386	3.7
325.05673	18.7
353.08722	14.7
385.18903	2.5
420.98450	1.6
457.16763	2.3
463.72058	1.7
560.60870	1.8
679.19641	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	679.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.1
60.30161	0.7
61.98831	6.0
63.02441	0.7
65.00352	0.8
69.30537	3.0
69.30951	1.7
71.01387	6.1
72.53922	0.6
73.02956	0.8
83.01386	1.5
85.02943	3.8
89.02454	4.5
98.21890	1.5
99.04549	0.7
101.02449	3.2
107.01399	1.7
109.02988	0.7
111.00889	2.2
113.02461	2.1
119.03513	1.7
121.03005	1.0
125.02532	0.8
133.02946	1.1
135.00911	0.8
135.04535	1.3
149.02376	0.8
149.04608	1.0
151.00389	4.5
157.02899	0.8
161.04579	1.7
161.13394	1.4
171.04553	1.1
175.00418	2.2
175.04062	1.5
179.03447	1.6
183.04611	1.2
187.11349	2.3
199.04028	4.6
201.01955	1.2
203.03569	0.9
205.12279	1.4
215.03558	2.8
226.02527	1.3
227.03503	4.4
243.02905	4.9
255.02986	2.5
263.51712	0.7
267.10828	1.1
271.02487	59.8
272.02835	2.4
299.01984	100.0
300.02594	9.4
301.03552	20.7
349.76050	0.7
474.08078	28.9
475.08792	24.6
475.15659	1.5
476.09232	1.0
499.21841	6.5
505.09793	2.6
637.14532	2.5
679.15216	65.2
679.26825	3.2
680.15631	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	679.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76621	0.4
55.59008	0.4
55.70343	0.3
57.03453	0.6
59.01382	8.6
61.98836	10.0
63.02417	0.5
65.00346	0.7
66.51865	0.4
70.05882	0.4
70.51289	0.3
71.01382	2.7
73.02948	0.6
77.40253	0.4
81.98721	0.3
83.01394	0.4
85.02953	1.7
87.00884	0.7
89.02438	2.7
95.01402	0.4
96.96012	0.7
99.00942	0.5
101.02474	2.4
107.01388	1.1
109.02953	0.9
111.00895	1.0
113.02466	0.9
116.36730	0.4
119.03530	0.7
121.02964	1.0
126.36168	0.4
133.02960	0.7
134.03746	0.4
135.04523	0.5
147.01006	0.5
151.00389	3.2
161.02394	0.5
161.04451	0.5
161.13333	0.7
163.00366	0.5
171.04527	1.2
175.00342	0.7
175.04037	0.9
178.23436	0.3
179.03430	0.4
187.03993	0.8
187.11255	0.8
193.05069	0.7
199.04024	4.1
201.01965	1.4
203.03462	0.9
205.12386	0.5
211.03998	0.4
215.03525	1.9
227.03510	3.6
237.80484	0.4
242.02385	0.4
243.02966	3.7
255.03003	1.7
261.51218	0.4
267.10782	0.9
271.02499	52.4
272.02853	2.5
282.01700	0.6
283.02417	0.6
284.03278	0.6
285.04001	0.5
299.01987	100.0
300.02512	6.7
301.03528	11.3
325.05707	0.5
390.98712	0.4
445.08002	0.6
447.09167	0.4
462.08145	4.1
473.07333	2.2
474.08051	38.9
475.08765	9.9
499.21805	3.4
505.10034	1.2
506.09869	0.4
517.09753	1.3
619.13324	1.6
637.13885	0.9
679.15198	43.9
679.26788	1.5
680.15491	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	679.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24755	0.5
53.28326	0.6
59.01385	12.1
59.41645	0.4
61.98832	5.4
63.02400	0.8
65.00332	1.0
66.16900	0.5
71.01376	3.8
73.02957	1.1
83.01418	1.5
85.02970	2.0
87.00892	0.9
89.02467	2.2
90.61504	0.5
97.91211	0.5
99.00896	0.6
101.02470	2.9
104.24781	0.6
107.01419	2.5
109.02978	1.5
111.00903	0.7
113.02456	1.5
119.01487	0.6
121.02955	4.8
135.00946	0.7
135.04543	0.6
137.95430	0.5
139.66335	0.5
143.05122	0.6
148.00494	0.6
149.02452	0.6
151.00397	6.3
160.01598	1.0
163.00417	1.0
171.04515	1.3
175.00420	0.8
175.04037	1.3
178.99902	0.8
183.04515	0.6
183.53699	0.5
187.04022	1.3
198.03253	0.8
199.04025	4.7
201.01978	2.0
205.17911	0.6
215.03534	2.2
226.02711	0.9
227.03490	4.6
242.02080	0.6
243.02974	6.2
255.03044	4.0
257.04550	0.9
271.02490	66.5
272.02914	2.5
299.01981	100.0
300.02670	14.1
301.03540	22.7
302.03769	1.1
367.06436	0.9
431.22919	11.2
455.17072	2.0
463.08890	2.2
516.09119	27.6
517.09851	35.0
518.10266	2.1
547.11108	1.0
679.15149	65.8
679.34045	1.7
680.15588	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.6
59.01384	2.8
67.45918	1.4
69.70860	4.8
98.02498	17.5
111.99587	3.6
126.01184	3.9
166.07671	1.4
167.00252	1.3
175.04031	2.4
191.05617	4.2
193.05055	3.0
197.04915	3.3
216.50894	1.3
219.06644	1.8
222.05423	1.3
223.02803	26.0
225.04364	23.7
255.10333	2.4
264.08731	3.5
269.03363	100.0
270.03568	4.2
271.03079	1.8
387.69388	1.6
517.14905	1.6
679.19452	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.9
59.01385	50.6
61.98832	49.7
71.01370	17.1
72.99311	4.3
82.88585	4.6
82.95423	5.2
83.05054	4.2
85.02951	16.6
89.02446	13.1
96.96095	5.0
99.04555	5.6
99.33488	4.1
101.02432	13.2
111.00880	9.2
113.02462	8.4
116.92902	6.5
125.02477	5.8
135.04628	4.6
135.08170	7.9
160.09834	4.3
161.04614	5.7
167.06360	6.1
170.66565	3.9
179.07146	30.3
181.08649	4.2
190.40894	4.0
191.05685	5.3
197.08315	10.7
203.07101	7.5
209.11830	100.0
227.12889	23.1
253.09273	13.5
305.08691	9.1
386.02142	4.6
461.20358	6.1
625.28046	9.4
643.29669	14.4
643.38422	7.7
645.85944	4.4
679.27881	18.7
679.38232	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	679.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.9
59.01385	50.6
61.98832	49.7
71.01370	17.1
72.99311	4.3
82.88585	4.6
82.95423	5.2
83.05054	4.2
85.02951	16.6
89.02446	13.1
96.96095	5.0
99.04555	5.6
99.33488	4.1
101.02432	13.2
111.00880	9.2
113.02462	8.4
116.92902	6.5
125.02477	5.8
135.04628	4.6
135.08170	7.9
160.09834	4.3
161.04614	5.7
167.06360	6.1
170.66565	3.9
179.07146	30.3
181.08649	4.2
190.40894	4.0
191.05685	5.3
197.08315	10.7
203.07101	7.5
209.11830	100.0
227.12889	23.1
253.09273	13.5
305.08691	9.1
386.02142	4.6
461.20358	6.1
625.28046	9.4
643.29669	14.4
643.38422	7.7
645.85944	4.4
679.27881	18.7
679.38232	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	679.311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.0
61.98836	100.0
69.59206	6.8
80.58582	2.5
82.95409	2.4
85.04945	2.4
89.02458	3.3
93.32171	2.3
96.47910	2.5
125.27194	2.3
139.58044	2.2
191.05542	2.7
197.11862	23.4
209.11847	34.0
227.12917	7.4
267.87888	2.3
422.15579	2.6
445.20633	3.8
459.99377	2.5
618.47015	6.1
619.46820	3.4
631.25720	2.8
679.30780	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	680.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30906	44.4
59.01364	63.0
61.98832	100.0
84.11024	49.2
84.58317	47.2
105.15265	41.8
184.26576	47.1
218.46988	50.8
319.64325	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	680.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26932	4.8
55.01866	6.3
59.01385	100.0
61.98831	22.3
70.87055	8.3
71.01392	66.1
73.02952	13.1
73.94116	5.1
83.01375	6.3
85.02972	14.8
87.00861	8.6
89.02456	63.1
93.33396	4.7
97.02916	6.5
99.00916	10.0
101.02438	37.1
109.02992	7.4
111.00891	24.4
111.89092	5.6
113.02456	21.5
119.03535	29.1
125.02466	19.3
133.02986	6.3
143.03572	10.4
146.13306	5.3
161.02481	16.8
161.04535	13.0
161.90231	5.6
179.05656	50.1
191.05611	6.7
193.04974	6.4
253.16759	5.0
286.54785	6.2
293.08917	6.1
353.10843	13.0
455.14154	26.6
481.65662	6.0
680.21790	10.4
680.36053	14.6
681.21991	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	680.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12286	0.4
56.43029	0.5
59.01383	1.8
61.98835	100.0
67.40282	0.4
69.54932	1.8
69.58875	0.4
71.01374	0.5
89.67266	0.3
160.04459	0.4
190.64687	0.4
197.11847	0.9
209.11868	1.1
224.29820	0.4
596.54321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47209	20.6
63.40991	18.6
70.63322	47.1
88.15209	22.4
149.66054	26.4
168.52335	21.9
255.23283	100.0
307.19000	29.8
369.02295	25.3
379.86780	26.6
464.35840	24.1
581.52545	23.8
658.26538	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	681.1678
Annotation	Isorhamnetin 3-(6'''-acetylglucosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01384	11.6
61.98838	0.9
69.11610	5.7
71.01395	4.5
73.02962	1.4
85.02952	1.9
87.00875	1.3
88.98814	2.0
89.02451	4.4
93.03498	1.1
95.01437	0.8
99.00921	1.0
101.02463	2.2
107.01407	1.7
111.00896	1.5
113.02470	1.9
116.92873	1.9
119.03529	2.3
125.02537	0.9
126.85217	0.7
134.03758	1.1
135.04480	4.3
136.01675	1.4
137.02527	0.9
151.00395	3.5
151.04030	1.7
161.02483	1.2
163.04005	1.0
173.04514	0.8
179.05717	4.7
181.05069	3.6
186.03203	1.0
191.05605	1.5
198.03242	1.0
198.31711	0.8
200.64902	0.8
214.02733	2.3
226.02927	0.8
241.01465	2.6
242.02213	29.6
243.02924	5.2
245.00954	3.2
255.02998	1.1
257.04590	1.0
270.01730	33.7
271.02435	8.5
283.02487	1.2
285.04041	14.6
298.01257	7.4
299.01987	6.9
299.05521	2.5
300.02728	15.5
311.09674	1.3
313.03577	100.0
314.04294	14.7
315.05142	40.9
327.05157	1.5
332.25189	1.0
353.10892	2.3
356.05560	1.0
357.06061	3.0
375.14557	1.4
410.98285	1.0
413.13083	1.0
459.09634	5.2
459.15637	1.7
461.07294	2.8
475.08936	2.8
476.09637	35.3
477.10342	9.8
519.11426	73.9
520.11798	3.9
561.12640	2.8
602.46100	1.0
621.14606	2.8
649.18097	1.2
680.38336	1.1
681.17249	9.8
681.29388	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37065	1.3
57.03457	1.3
59.01385	20.4
61.98830	2.4
69.39265	2.7
69.39668	4.1
71.01384	9.4
72.64702	1.1
73.02946	4.5
83.01424	2.5
85.02965	5.9
87.00890	8.5
88.98808	2.5
89.02451	7.9
93.03435	1.2
96.96009	1.9
101.02465	8.2
107.01384	1.7
109.02975	1.3
111.00905	1.2
113.02470	4.2
116.92880	2.5
119.03509	3.5
121.02926	1.3
125.02470	2.3
131.03539	1.5
132.49675	1.0
134.03784	2.7
135.04556	5.4
136.01717	1.7
147.04561	1.8
149.04662	1.1
151.00366	4.8
151.04047	2.4
159.04526	2.4
160.01680	1.3
161.02452	2.9
161.04518	2.1
161.05971	1.3
163.04012	2.0
164.04778	1.3
175.04074	2.7
175.13048	1.3
179.03613	1.2
179.05617	2.2
181.05141	2.3
182.56343	1.2
191.05632	2.7
193.05089	2.8
198.03223	1.5
205.05043	1.8
214.02763	2.9
227.03549	1.9
237.05580	2.1
241.01321	3.0
242.02206	27.6
243.02954	11.5
245.01062	1.8
253.05107	1.8
255.03040	1.7
257.04642	3.4
265.05051	2.0
268.07437	1.2
270.01724	31.3
270.04498	2.3
271.02505	11.8
272.36151	1.3
282.01990	1.5
283.03378	1.6
283.06158	8.9
284.03174	1.6
284.06601	1.6
285.04132	14.8
286.04736	2.2
297.07614	1.3
298.01306	6.9
298.04492	1.4
298.08502	4.8
299.01929	6.7
300.02798	19.7
301.03162	1.5
311.09293	2.3
313.03568	87.3
313.10959	5.1
314.04272	23.2
315.05130	43.6
316.05365	2.9
327.05225	2.2
339.08310	1.2
343.10779	1.3
356.05484	1.8
357.06125	2.4
375.14566	2.7
459.09344	5.1
459.16281	2.6
461.07339	3.2
476.09650	26.2
477.10251	7.2
519.11255	100.0
520.11682	8.3
561.12720	5.2
577.28693	1.6
633.25269	1.4
681.20300	47.9
682.20728	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67773	2.4
58.37648	2.6
59.01387	24.0
69.08493	11.9
69.08900	5.3
71.01401	16.9
85.02968	4.0
88.65480	2.4
88.98814	4.0
89.02445	15.9
93.03461	3.5
98.21898	5.9
99.00878	3.6
101.02455	10.3
109.02947	2.3
113.02454	5.6
119.05032	3.9
121.02942	5.9
133.05057	2.5
134.03754	6.7
135.04529	4.7
136.01694	11.6
147.00954	3.0
147.04475	2.7
149.01326	2.9
149.02441	16.0
151.04007	20.9
151.06177	2.4
160.01605	7.2
161.04584	2.8
163.04013	9.2
164.04793	21.0
171.29131	2.6
175.00362	14.6
175.03983	10.4
177.05502	2.9
179.07135	3.2
179.78362	2.2
190.02724	48.2
191.03429	4.8
191.05669	6.8
193.05051	8.0
205.03247	3.6
205.05064	51.2
208.03830	2.7
221.08191	8.8
223.06161	28.0
225.05585	4.5
226.06297	4.7
237.07663	3.9
240.07863	2.6
241.08583	4.0
250.04796	3.0
265.07111	21.1
267.10208	3.1
295.08310	3.5
357.13434	18.9
385.11685	4.4
407.99255	2.7
424.08081	2.7
459.15146	13.8
506.21518	3.9
519.17249	100.0
520.16998	6.5
681.20508	14.8
682.16547	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	681.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67773	2.4
58.37648	2.6
59.01387	24.0
69.08493	11.9
69.08900	5.3
71.01401	16.9
85.02968	4.0
88.65480	2.4
88.98814	4.0
89.02445	15.9
93.03461	3.5
98.21898	5.9
99.00878	3.6
101.02455	10.3
109.02947	2.3
113.02454	5.6
119.05032	3.9
121.02942	5.9
133.05057	2.5
134.03754	6.7
135.04529	4.7
136.01694	11.6
147.00954	3.0
147.04475	2.7
149.01326	2.9
149.02441	16.0
151.04007	20.9
151.06177	2.4
160.01605	7.2
161.04584	2.8
163.04013	9.2
164.04793	21.0
171.29131	2.6
175.00362	14.6
175.03983	10.4
177.05502	2.9
179.07135	3.2
179.78362	2.2
190.02724	48.2
191.03429	4.8
191.05669	6.8
193.05051	8.0
205.03247	3.6
205.05064	51.2
208.03830	2.7
221.08191	8.8
223.06161	28.0
225.05585	4.5
226.06297	4.7
237.07663	3.9
240.07863	2.6
241.08583	4.0
250.04796	3.0
265.07111	21.1
267.10208	3.1
295.08310	3.5
357.13434	18.9
385.11685	4.4
407.99255	2.7
424.08081	2.7
459.15146	13.8
506.21518	3.9
519.17249	100.0
520.16998	6.5
681.20508	14.8
682.16547	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	681.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.98833	0.3
64.09149	0.3
69.29010	0.4
69.29409	1.2
71.01388	3.9
73.02948	0.8
82.02995	0.6
83.01385	0.3
84.69684	0.2
85.02969	1.6
87.00851	0.5
89.02463	1.5
92.38273	0.3
93.03464	0.5
99.00852	0.4
100.04061	0.4
101.02447	1.6
107.53595	0.3
108.02168	0.9
109.02975	0.5
109.05091	0.3
113.02473	1.6
113.40687	0.3
119.03511	0.5
121.02953	2.3
122.03768	2.1
123.04542	0.5
131.03572	0.3
134.03757	0.8
135.04475	0.5
136.01672	46.6
137.02530	1.4
143.03441	0.4
149.04601	0.4
149.06111	0.4
151.04021	83.3
152.04358	1.1
159.03003	0.3
159.04501	0.6
160.05276	0.7
161.02437	0.6
161.04559	3.2
162.03232	1.1
163.04051	0.7
168.63754	0.3
173.04550	0.3
175.04008	0.3
175.07632	1.4
177.05637	0.8
179.03510	0.7
189.05537	0.4
191.05588	0.4
191.07199	0.3
193.05052	0.4
248.09293	0.6
311.12933	0.7
342.11108	5.1
343.10483	0.5
357.13455	100.0
358.13757	3.6
428.34991	0.3
503.79233	0.3
519.19684	1.4
663.28510	0.5
681.30743	0.6
709.90594	0.3
710.67542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.0
61.16119	2.1
61.98830	19.1
68.31454	2.2
69.10052	16.0
69.47726	2.4
71.01384	15.8
71.70894	2.5
83.01374	2.5
83.05032	9.8
85.02934	6.3
87.00893	2.6
88.98823	2.3
89.02465	11.5
90.87228	2.2
95.00803	2.0
96.07069	2.0
96.96046	2.8
98.22639	4.1
99.00845	2.9
101.02437	14.1
106.54947	2.2
111.00892	4.8
113.02444	4.5
116.92868	5.0
119.03517	4.9
119.18567	2.1
121.02967	12.9
123.04469	2.4
143.03511	2.6
149.02449	9.2
161.04578	2.7
165.12697	2.1
175.04048	2.8
181.08716	53.2
199.09787	11.8
209.11853	100.0
210.12177	2.2
213.09120	2.0
227.12923	24.0
235.08199	4.4
236.31165	2.3
253.09317	14.4
273.35455	2.3
284.02798	3.3
285.03204	3.4
357.26669	3.2
445.20932	8.2
501.30704	4.7
519.31848	31.4
645.38574	16.9
681.27460	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03458	1.9
58.00604	1.5
59.01384	100.0
69.03468	1.0
69.54267	3.0
71.01389	60.1
72.99328	1.8
73.02953	7.0
83.01407	4.4
85.02959	12.5
87.00858	3.7
89.02454	55.9
90.02816	0.8
95.01411	3.0
97.02940	1.4
99.00889	3.8
101.02453	33.2
110.21615	0.9
111.00904	1.4
111.48236	0.7
112.62819	0.8
113.02457	16.9
113.29018	1.0
119.03506	17.5
121.03011	2.3
125.02438	3.4
131.03529	9.7
136.01677	2.0
137.09760	1.4
143.03511	4.7
149.04578	9.8
151.04041	4.3
161.04588	4.4
179.05673	6.9
191.05586	3.9
231.02811	1.3
233.06659	1.5
276.69312	0.7
293.08878	2.7
357.13434	5.0
387.20337	1.8
432.10049	0.8
501.23157	7.7
519.17432	0.9
519.24615	2.3
531.24493	2.1
549.25562	16.6
550.25433	1.1
587.81458	1.0
681.29822	81.7
682.29767	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	681.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32872	0.6
57.03448	1.4
59.01385	11.1
59.24001	0.7
61.98832	3.2
70.59886	1.2
71.01393	6.1
73.02947	0.8
76.47291	0.6
83.05074	0.6
85.02956	1.8
87.00865	0.7
89.02448	3.8
95.01386	0.9
95.42390	0.7
97.06583	2.6
101.02453	5.0
113.02455	2.4
115.25406	0.7
119.51874	0.7
131.85785	0.8
132.11464	0.8
143.03601	0.8
151.11285	13.2
161.04591	1.4
169.12361	100.0
170.12691	3.0
171.10368	3.4
195.10306	1.5
213.11345	15.5
235.08191	1.1
249.18611	22.5
250.19009	1.1
253.09268	3.6
371.64850	0.7
378.34674	0.8
409.29953	0.7
431.19159	3.2
437.34140	0.9
449.20377	12.2
681.38550	91.8
682.38898	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	682.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01387	1.3
61.98825	0.4
69.03451	0.4
71.01387	1.2
73.02957	0.3
77.03983	0.2
81.03445	0.3
83.01408	0.2
85.02963	0.9
87.00881	0.3
87.04536	0.4
89.02450	0.4
93.03475	0.1
95.01393	0.3
97.02950	1.0
99.00916	0.5
101.02480	0.7
106.04258	1.4
109.02960	0.1
111.00890	0.2
113.02450	0.5
117.03491	0.3
119.05027	0.2
121.02968	100.0
122.03288	2.7
124.01659	0.5
125.02458	3.4
125.03332	0.3
135.04541	6.5
136.05025	0.2
143.03510	2.3
145.02977	0.5
150.09254	11.5
151.09621	0.3
163.04053	0.9
184.59546	0.1
193.05145	0.2
195.88612	0.2
258.11343	0.9
307.08264	0.4
329.47379	0.1
349.09323	0.3
367.10248	0.3
409.11545	0.4
560.21515	0.2
665.22260	0.2
682.36877	0.2
683.39081	0.5
701.66156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85537	4.1
56.53747	4.5
59.01384	46.2
61.54672	3.5
61.98841	26.7
69.47787	9.9
69.48182	7.7
71.01390	25.1
73.02922	6.3
79.49908	4.3
85.02964	8.1
89.02439	11.2
101.02452	12.6
104.18177	3.8
111.00892	5.5
113.02406	5.0
121.02155	6.9
121.02963	100.0
123.04586	4.7
125.02433	4.4
135.04526	7.4
150.09184	7.7
160.01727	3.8
213.94586	3.9
220.02478	4.1
247.93216	4.0
277.17245	5.0
283.02689	5.3
308.07986	4.5
337.08597	4.1
355.63452	4.0
377.53110	5.0
454.56863	4.4
455.55389	4.2
503.32404	6.6
547.10718	4.5
621.35974	5.0
646.36957	6.0
682.36975	15.0
683.38739	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	682.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56247	4.1
59.01409	6.5
61.98832	14.8
66.90755	4.5
70.46997	9.1
74.72472	4.0
89.02518	4.3
97.06628	4.5
115.01308	5.6
125.06117	41.9
143.07153	81.6
207.10320	10.3
225.11150	5.5
227.92146	5.5
253.09386	12.4
277.21765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22695	0.7
59.01361	1.6
61.98838	2.5
71.01388	1.7
74.13874	0.8
89.02464	1.0
98.21799	1.7
127.11308	0.9
134.44148	0.8
143.38300	0.8
171.10280	100.0
172.10786	1.9
206.84039	1.0
235.08167	1.4
249.18607	47.7
250.19075	1.3
253.09361	5.5
309.56781	1.0
407.19254	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	683.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22894	1.1
56.53017	1.1
59.01376	4.1
71.01389	4.7
73.64869	1.0
74.24056	1.1
85.02961	1.1
101.02457	1.5
118.96639	2.5
131.01369	1.3
140.98718	1.3
156.98189	2.1
198.99242	1.6
203.77934	1.3
206.94872	1.7
212.93956	10.1
216.93416	3.5
230.95013	10.9
232.92914	4.0
240.93500	2.8
244.93002	3.0
254.92328	2.6
254.95029	48.3
256.96613	4.3
258.94495	18.1
268.96567	2.8
272.96085	25.4
274.97675	2.1
284.95975	5.0
286.93988	7.5
286.97617	6.0
296.96039	3.7
298.94385	1.4
298.97528	5.7
300.95538	1.4
302.97205	2.1
314.97180	23.1
316.98709	1.8
326.97046	3.8
328.98630	2.2
335.00067	2.2
341.10910	2.7
363.06140	1.5
381.07199	2.0
419.01523	1.3
423.08212	1.3
431.01660	1.4
437.03049	5.1
461.02948	10.2
479.03992	100.0
480.04285	2.7
521.04987	41.9
522.05334	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	683.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93695	0.6
56.18297	0.6
57.03453	2.5
59.01385	12.6
61.98830	3.1
69.03471	0.9
71.01389	9.3
71.42420	0.9
72.99323	1.4
73.02959	2.2
81.03461	0.6
83.01449	0.8
85.02949	4.6
87.00886	1.6
89.02464	4.8
95.01390	0.9
96.96025	1.3
97.02950	0.9
99.00873	1.1
99.04550	1.5
101.02457	5.6
108.02187	56.3
109.02997	9.3
111.44617	0.7
112.18440	0.5
113.02480	4.0
116.92863	0.8
119.03528	1.3
119.05061	1.0
121.02153	1.2
121.02972	15.4
124.26413	0.7
125.02460	2.1
132.02167	0.6
134.03737	1.0
134.06111	1.1
135.04573	1.3
150.03215	1.0
151.00447	0.9
151.03987	1.1
152.01173	100.0
153.01965	13.9
154.26773	0.7
160.04054	0.6
161.04533	1.2
163.03970	1.0
165.05626	1.3
167.38753	0.6
175.04018	1.5
177.01883	1.3
179.03423	0.7
179.05640	0.8
190.02757	1.6
191.05614	1.3
193.05026	1.5
201.14871	0.6
205.05077	2.3
210.61995	0.6
231.02983	1.0
281.09274	2.1
293.09378	1.2
349.18408	0.7
429.10388	0.9
430.14966	0.6
491.18912	0.9
503.24973	1.1
507.70081	0.7
521.33423	1.9
539.26898	0.7
539.34283	2.0
561.14746	16.3
608.22247	3.2
652.20813	0.9
665.60284	0.8
683.18353	68.7
683.36810	7.2
684.18011	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	683.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.4
70.38597	0.6
70.65244	0.8
71.01392	9.0
72.99311	1.7
73.02923	1.5
83.01388	0.8
83.99722	0.6
85.02950	3.2
86.00105	0.5
87.00884	0.9
89.02448	7.2
93.03452	0.6
95.31965	0.5
97.06594	1.5
99.00829	0.6
101.02454	6.7
102.98337	0.6
102.99110	0.6
111.00868	2.0
113.02448	4.7
119.01389	1.8
119.03482	2.6
121.02929	1.3
121.75346	0.6
123.04521	1.3
125.06095	5.5
131.03607	0.6
135.04539	12.3
142.31310	0.6
143.07143	12.2
147.00844	0.8
147.04427	0.8
148.01677	1.4
149.02470	6.9
150.03238	4.2
151.03995	0.7
154.74706	0.7
160.05348	0.8
163.03981	1.3
164.04823	6.0
165.05525	1.8
173.05992	0.6
175.00365	14.2
176.01155	17.9
177.01859	2.2
179.07092	1.3
189.01964	0.6
190.02725	43.1
191.03506	27.6
192.03937	1.0
193.01347	1.0
194.02185	1.1
195.02905	1.5
205.05064	56.5
206.05589	2.9
208.03760	1.2
209.04576	3.0
221.08154	2.3
223.06139	6.2
237.07790	1.1
251.05583	0.9
265.07309	3.1
267.04929	0.8
294.37482	0.6
295.08337	0.6
297.06003	0.7
302.77509	0.6
311.08841	0.7
315.10938	5.1
344.12573	2.6
359.15009	4.4
377.49155	0.6
503.19135	1.0
506.14407	0.7
521.16510	100.0
522.16833	6.4
683.25555	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	683.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	7.3
73.02972	5.4
89.02460	7.0
133.01720	78.5
147.08871	6.0
147.14705	6.4
148.00452	8.0
150.05704	15.1
171.10271	74.4
180.03073	65.5
246.14006	7.3
253.09389	7.2
262.03409	6.2
293.21237	40.8
307.05020	9.8
447.57324	6.2
455.12476	17.5
485.17191	100.0
635.76434	7.3
636.17743	7.7
651.19031	39.3
668.19507	7.3
683.22498	89.5
684.22601	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	683.2557
Annotation	Javanicoside B
Peak:m/z	Relative Intensity
55.01868	3.6
57.03440	2.1
58.00586	1.1
59.01382	65.5
69.47646	1.8
69.48035	3.1
71.01386	45.0
72.99293	1.4
73.02953	7.4
73.62638	1.1
83.01383	4.3
85.02948	15.1
87.00861	5.1
89.02452	18.1
95.01367	4.0
97.02917	1.5
99.00884	2.9
101.02446	23.5
108.02164	1.5
109.02978	10.9
113.02474	12.8
119.03519	7.1
123.04490	1.8
128.52563	1.2
131.03465	1.6
143.03448	1.4
159.04488	4.5
160.36162	1.3
161.04544	2.9
172.05373	1.6
173.06058	5.6
177.93459	1.2
179.05542	2.0
187.07602	1.5
189.05556	3.4
191.07217	1.5
203.07120	2.6
221.06602	2.9
241.05061	7.1
241.67155	1.2
253.05092	1.9
255.06635	3.8
263.07062	1.3
267.06772	1.6
268.07358	1.9
281.08154	3.7
295.09750	4.6
296.10703	1.7
299.09235	4.7
311.09256	5.1
313.10690	8.3
314.11426	1.9
326.11575	4.4
329.10239	2.9
341.13953	5.3
343.12054	2.8
344.12637	22.3
345.13159	3.4
359.14987	50.7
360.15250	1.5
375.89258	1.2
491.19476	11.3
503.19324	9.7
521.20313	99.2
522.20654	7.0
683.25580	100.0
684.25903	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	683.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	11.2
59.01379	12.0
61.98837	0.6
71.01398	5.4
71.13218	0.5
81.03475	2.8
85.02956	1.0
87.00893	0.9
89.02457	8.4
89.02956	0.8
93.03475	1.8
99.04516	5.2
101.02453	7.5
113.02474	2.4
119.03526	2.6
121.02972	4.3
122.03745	10.5
123.04562	1.0
133.02957	1.3
136.01730	0.9
141.37741	0.5
143.03520	1.4
145.02942	1.1
149.02454	24.2
150.03235	76.4
151.03545	1.3
161.04585	1.0
162.03259	6.8
164.04805	5.6
165.05582	100.0
166.05965	2.3
177.05566	6.1
179.05632	3.2
180.04285	5.6
195.06638	91.3
196.06941	2.4
222.51376	0.6
263.12827	1.6
314.11536	1.8
320.01602	0.7
329.13983	9.8
346.10049	0.5
377.16000	2.2
396.15854	2.9
411.18143	21.3
412.18289	2.0
459.20279	6.7
571.81915	0.6
683.25439	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	683.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03459	12.8
58.00591	1.5
59.01386	100.0
61.10229	1.1
61.86482	1.0
61.98824	1.8
69.23808	6.7
71.01387	63.6
72.99326	1.4
73.02957	12.4
77.65766	1.1
78.03162	1.2
83.01396	3.9
85.02951	14.9
87.00881	9.6
88.98829	1.2
89.02451	75.8
90.02761	1.4
95.01408	5.2
97.02934	2.0
99.00900	2.2
99.04530	2.7
100.78686	1.3
101.02457	51.2
107.03561	1.7
108.02197	5.1
109.02961	3.2
109.60812	1.2
111.00913	1.5
113.02467	32.6
116.92868	2.0
119.03517	29.8
121.02996	3.6
125.02444	1.4
131.03510	13.1
134.03783	1.9
136.01692	1.8
143.03525	9.5
145.02954	2.1
145.04053	1.5
149.04572	2.9
151.04008	2.8
152.01176	7.4
153.01843	2.1
159.03021	2.6
160.01706	1.6
160.04037	2.0
161.04572	25.6
162.03249	5.0
163.16138	1.2
175.04025	2.1
177.05615	6.4
179.05638	75.9
180.06006	1.7
191.05656	1.7
193.05110	2.5
195.06537	1.3
205.05017	2.1
221.06686	46.0
236.55542	1.3
242.51813	1.3
263.07751	26.7
283.09763	5.0
290.87689	1.3
311.09341	10.1
326.11523	5.8
341.13983	5.0
608.22327	1.4
623.25696	1.5
683.17926	5.9
683.26550	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	683.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03453	78.4
59.01383	21.8
61.98834	13.7
71.01392	11.6
73.02954	2.3
81.03457	2.4
83.01410	1.8
85.02956	4.0
87.00916	1.7
88.98793	1.2
89.02461	5.4
93.03451	3.2
95.05051	1.4
96.96033	1.8
99.04522	15.1
100.93617	1.0
101.02459	29.4
104.08793	1.1
108.02182	1.3
111.00864	1.4
113.02479	5.2
116.92844	1.9
119.03548	2.8
121.02969	6.0
122.03748	10.0
123.04562	1.6
125.02448	7.0
133.02936	2.6
134.03766	2.3
135.04549	1.6
136.86671	1.0
137.02457	1.2
143.03535	1.2
148.05318	1.3
149.02466	30.0
150.03242	78.1
151.00288	1.6
151.03758	2.2
152.01176	1.7
160.04044	3.3
161.02498	1.6
161.04578	2.6
164.04822	6.2
165.05582	100.0
166.05969	2.1
175.03969	1.8
179.05617	1.4
180.04277	5.6
193.04994	2.7
195.06641	87.0
196.07036	2.5
208.07439	3.9
209.16031	1.0
223.09814	2.7
255.03006	2.5
263.12906	3.4
271.02466	4.1
283.02386	2.4
284.03339	2.2
299.02026	8.5
301.03580	2.3
314.11603	3.2
329.14023	10.1
356.12784	3.4
371.15048	13.7
377.16043	15.4
396.15427	1.3
411.18155	8.3
419.17157	18.8
446.08505	2.6
459.20294	10.5
503.18835	1.4
521.20538	10.8
521.32935	1.8
539.34528	5.5
621.14679	16.0
683.25641	38.6
683.37408	4.8
684.25513	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	683.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92678	0.6
54.62108	0.5
59.01388	5.4
61.98839	3.4
70.25264	1.6
71.01386	1.8
85.02985	0.7
89.02444	1.0
101.02477	1.0
113.02473	1.2
116.92935	0.6
121.02969	100.0
122.03319	1.5
154.01801	0.6
168.82806	0.6
171.29675	0.6
183.12141	0.6
217.38695	0.5
260.26501	0.6
328.88840	0.7
488.13855	0.6
511.72501	0.7
647.37390	1.1
683.38409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03456	2.7
58.00599	0.7
59.01385	29.8
61.98831	1.0
66.70820	0.4
67.01871	0.6
70.69664	0.7
71.01387	20.4
72.99310	0.8
73.02563	0.6
73.02950	6.7
75.00877	0.7
83.01390	4.0
85.02961	10.7
86.00100	0.5
87.00893	2.7
89.02454	8.5
95.01389	1.9
97.02988	0.7
99.00903	2.4
101.02457	17.0
111.00887	5.0
113.02463	8.3
119.03535	3.0
121.02947	1.1
125.02457	0.7
125.75726	0.5
127.11356	0.6
129.01982	0.7
130.14207	0.4
137.09737	0.7
142.82135	0.4
143.03502	0.5
154.55072	0.5
155.10812	1.2
157.12373	0.7
159.02954	1.4
161.04552	1.5
167.03487	0.5
179.05602	0.9
201.14899	1.9
230.15247	1.2
359.28055	6.7
392.20102	0.5
413.69266	0.5
503.31137	0.5
521.33350	11.1
522.33478	0.8
528.78101	0.5
639.21454	0.5
639.32166	0.9
683.38611	100.0
684.38977	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	683.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56218	0.4
55.01876	2.6
56.30422	0.5
57.03444	2.9
58.00595	0.8
59.01384	33.4
61.98831	2.1
67.01889	1.8
69.03460	0.7
71.01385	25.6
72.59626	0.6
72.99302	1.0
73.02953	6.3
83.01395	4.8
84.83215	0.5
85.02468	0.7
85.02961	11.4
87.00890	2.4
88.98850	0.6
89.02450	11.5
95.01401	3.2
97.02952	1.0
98.21898	1.6
99.00863	2.6
99.04539	0.5
101.02454	19.5
106.04245	0.5
111.00885	18.0
113.02460	8.3
117.03493	0.7
119.03503	3.4
119.05010	0.6
121.02966	30.1
122.03293	6.4
123.08167	1.0
125.02473	2.6
129.01927	0.9
131.03519	0.8
135.04535	1.7
136.04825	0.8
143.03546	1.0
145.02974	2.7
150.09225	2.8
151.09628	0.9
159.03001	1.7
161.04581	1.9
163.04002	1.0
165.44165	0.5
169.12267	0.6
171.13953	0.7
177.01927	0.6
179.05606	1.2
187.13371	1.4
191.05664	0.6
193.05089	0.9
255.02980	0.5
263.12997	0.6
285.04135	0.7
307.08215	1.9
359.28046	8.1
362.19547	1.2
423.34525	0.6
435.26114	0.7
457.18591	0.8
459.19412	1.1
477.15485	0.9
503.18436	0.5
503.32056	1.2
521.33368	13.3
539.34631	1.0
639.20868	1.1
639.31653	0.9
683.38605	100.0
684.39160	9.0
686.80469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35590	0.9
57.03441	3.1
59.01387	7.2
61.98827	4.0
69.01926	1.1
71.01380	5.0
73.22785	1.0
75.31855	1.1
89.02444	5.2
95.05042	1.3
97.06599	14.9
101.02464	3.6
105.29999	1.0
113.02452	2.5
119.03562	1.6
123.08194	7.2
125.09735	100.0
126.10049	2.4
131.71092	1.0
132.48392	1.1
143.10812	1.2
169.08658	2.2
171.10289	3.9
187.09775	67.4
209.11859	1.4
250.18843	1.4
253.09361	3.3
276.27396	1.1
277.21768	14.2
405.17706	6.4
423.18683	14.1
683.40161	92.8
684.40887	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	683.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.4
59.01360	8.3
61.98821	3.8
64.00574	2.1
71.01377	5.6
76.74947	2.3
78.95890	2.4
85.02921	2.6
87.00874	2.1
89.02470	3.9
91.80135	2.0
97.06599	18.6
101.02399	4.1
102.85345	2.0
113.02446	3.8
116.23421	2.0
123.08163	9.3
125.09734	95.1
152.27269	2.5
187.09766	37.1
187.14079	2.0
197.11925	2.5
235.08134	2.5
253.09224	2.8
277.21725	50.8
313.28268	2.3
397.55237	2.2
405.17542	6.3
423.18872	5.8
586.67426	2.6
683.40118	100.0
684.40472	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	684.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.7
61.98833	100.0
71.01390	0.7
75.00851	0.3
81.69370	0.2
83.01405	0.4
89.02460	0.7
98.21867	0.4
99.00901	0.2
101.02477	0.3
102.19363	0.2
104.83826	0.2
114.02710	0.2
121.02997	0.2
134.78966	0.3
135.03017	0.7
146.19818	0.2
161.02411	0.2
163.00478	0.3
175.04007	0.4
183.04649	0.3
186.74846	0.3
188.16711	0.2
211.06183	0.2
227.03596	0.3
255.03004	3.8
281.09439	0.5
283.02512	11.6
284.03165	0.9
285.04147	1.5
293.09610	0.3
379.29340	0.2
386.05264	0.3
446.08453	2.9
446.13904	0.3
459.09476	1.2
489.14099	0.2
490.14346	0.4
533.84552	0.2
551.01312	0.3
608.23047	1.0
621.14648	10.3
622.15277	0.6
640.25635	0.7
684.24756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.1
63.19120	1.2
69.19283	6.8
71.01366	1.6
76.02786	1.4
79.50230	1.2
83.01397	1.9
96.96027	2.5
98.02499	20.9
98.21948	2.4
111.99622	2.7
126.01211	1.3
138.02043	1.8
191.05573	1.9
197.04892	4.9
215.85852	1.4
223.02817	23.6
225.04391	21.6
269.03366	100.0
270.03763	2.3
310.06815	1.3
503.12198	2.0
684.19861	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	684.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75702	2.3
61.98827	7.1
63.70433	2.3
65.21467	2.6
65.95760	2.5
66.93703	2.8
74.01974	2.4
98.22691	5.9
117.39099	2.3
143.49844	2.3
152.53346	2.4
163.38887	2.4
174.04070	2.5
209.11852	7.6
210.12180	2.8
237.18480	4.6
481.15259	34.8
482.15991	4.2
495.16779	7.4
540.16632	13.6
555.18915	77.8
556.19012	9.6
572.15497	12.7
586.17120	3.9
641.22723	28.3
684.23138	100.0
685.23608	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	685.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
55.94451	0.7
57.03444	0.7
59.01386	12.0
61.98816	0.9
69.03465	4.8
69.15794	4.2
70.10486	0.6
71.01394	6.8
71.05016	1.7
73.02928	1.1
73.91489	0.6
74.35064	0.6
80.02692	0.7
81.03444	1.8
83.01396	1.1
83.05028	2.9
85.02946	2.0
86.57382	0.7
87.00865	1.5
89.02432	2.8
97.02950	2.9
97.06544	1.3
99.00847	1.1
101.02434	5.1
109.05917	0.9
109.06607	15.5
110.03733	0.9
113.02440	2.6
118.34698	0.7
121.02950	2.0
121.06631	1.4
123.08161	2.1
125.02337	0.9
125.09728	3.0
135.08151	1.8
136.05334	0.6
144.92267	0.7
151.11272	1.9
153.12798	1.4
159.10268	1.6
161.04582	1.2
161.09741	3.9
163.11292	9.2
171.10287	1.3
179.05438	0.8
179.10799	9.4
181.12331	2.7
183.83636	0.7
185.11783	1.4
197.11848	57.3
198.12216	1.5
206.54918	0.7
207.10271	21.5
209.11826	2.7
223.09747	1.4
225.11362	10.8
235.08318	0.6
241.10760	2.7
253.09280	2.9
274.06949	0.7
321.17761	0.7
461.20181	1.6
477.19687	3.6
623.30670	1.0
625.39636	1.3
637.21527	0.7
641.21667	1.0
641.31921	2.4
646.59082	0.7
667.29138	1.5
685.30792	100.0
686.31152	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	685.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18137	0.8
59.01376	1.7
60.89858	0.7
61.98847	1.0
64.12633	0.9
69.72107	1.6
69.72497	1.7
71.01412	0.8
71.75123	0.7
72.89442	0.7
77.57922	0.8
77.64326	0.9
85.02959	0.8
92.09800	0.8
97.06595	0.9
97.64783	0.9
133.11353	0.8
149.06110	2.1
150.06876	30.4
157.08740	1.3
163.07671	6.9
164.08475	6.1
177.09430	0.8
178.10083	1.8
179.10786	17.4
229.10768	0.9
335.22427	0.9
343.21246	4.3
357.28659	0.9
364.22641	2.0
441.30035	1.1
459.31317	1.0
462.29840	1.7
477.32336	6.4
504.30719	1.1
505.31866	1.4
522.31903	1.7
523.32788	24.1
524.33374	1.7
685.38092	100.0
686.38477	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	685.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40307	0.4
52.08065	0.3
55.01883	1.8
57.03453	2.8
59.01384	42.8
60.01693	0.5
61.98818	1.2
69.03452	0.5
71.01389	26.5
72.01740	0.9
72.99305	1.3
73.02953	8.4
75.00877	0.8
75.45835	0.4
79.44077	0.3
81.03466	0.4
83.01401	5.2
84.22441	0.4
85.02959	13.4
85.73023	0.5
86.03307	0.5
87.00886	1.8
89.02457	12.0
95.01400	3.2
96.96030	0.6
97.02959	0.6
98.22664	1.1
99.00871	2.4
101.02453	20.9
103.90326	0.4
111.00893	4.8
113.02469	10.4
117.56242	0.4
119.03522	3.9
125.02448	0.8
129.01967	1.2
134.06174	0.6
141.01892	0.5
143.03532	0.9
149.04573	0.6
159.03015	1.2
161.04605	2.2
169.12376	0.4
171.13934	1.0
179.05580	1.0
193.04997	0.6
201.14964	1.1
217.14334	0.6
315.25208	0.4
359.28018	1.6
360.28494	0.9
361.29617	7.9
463.27005	0.5
481.28290	0.6
505.33585	1.1
523.34851	10.3
524.35168	0.6
587.89185	0.5
597.24548	0.7
609.21576	0.4
625.32404	3.2
641.23059	1.2
643.32666	0.9
684.38641	0.6
685.40118	100.0
686.40503	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	686.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45014	0.2
56.27147	0.2
59.01370	0.4
61.17663	0.1
67.01895	8.2
69.11217	0.8
69.11620	0.5
69.75800	0.2
74.68616	0.2
85.02961	1.7
98.21898	0.4
111.00887	100.0
112.01229	0.9
121.02956	2.7
129.01959	0.3
132.78227	0.2
193.92088	0.2
220.36610	0.2
255.03094	0.6
283.02319	1.3
285.04028	0.5
380.32358	0.2
489.10519	0.7
651.15607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40004	0.2
55.91137	0.2
59.01386	4.1
61.98837	1.8
63.38252	0.2
67.01898	8.0
71.01395	2.4
72.99298	0.2
73.02959	0.3
85.02959	1.8
87.00906	0.4
89.02463	1.7
101.02477	1.5
111.00893	100.0
112.01228	0.9
113.02447	0.7
116.92938	0.2
119.03505	0.6
121.02963	2.1
122.06142	0.5
126.00489	0.3
129.01959	0.4
132.04594	0.5
134.06148	1.5
152.07114	0.4
160.04089	0.4
161.94278	0.2
162.81644	0.3
179.05588	0.5
190.05112	0.7
221.06531	0.4
239.11919	1.0
241.09959	0.3
253.06197	0.5
255.03189	0.6
267.07675	0.5
268.08475	0.5
271.02353	0.3
280.08466	0.3
283.02548	1.2
283.10898	4.5
295.10889	0.8
314.12595	0.3
394.31888	0.3
402.18329	0.3
430.18069	0.4
454.99207	0.2
458.47922	0.2
524.13757	0.3
537.71429	0.3
582.25360	0.3
610.24176	2.1
651.15936	1.2
654.23077	10.6
655.23730	0.8
661.94019	0.3
686.25543	4.3
686.35828	0.3
687.26202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40004	0.2
55.91137	0.2
59.01386	4.1
61.98837	1.8
63.38252	0.2
67.01898	8.0
71.01395	2.4
72.99298	0.2
73.02959	0.3
85.02959	1.8
87.00906	0.4
89.02463	1.7
101.02477	1.5
111.00893	100.0
112.01228	0.9
113.02447	0.7
116.92938	0.2
119.03505	0.6
121.02963	2.1
122.06142	0.5
126.00489	0.3
129.01959	0.4
132.04594	0.5
134.06148	1.5
152.07114	0.4
160.04089	0.4
161.94278	0.2
162.81644	0.3
179.05588	0.5
190.05112	0.7
221.06531	0.4
239.11919	1.0
241.09959	0.3
253.06197	0.5
255.03189	0.6
267.07675	0.5
268.08475	0.5
271.02353	0.3
280.08466	0.3
283.02548	1.2
283.10898	4.5
295.10889	0.8
314.12595	0.3
394.31888	0.3
402.18329	0.3
430.18069	0.4
454.99207	0.2
458.47922	0.2
524.13757	0.3
537.71429	0.3
582.25360	0.3
610.24176	2.1
651.15936	1.2
654.23077	10.6
655.23730	0.8
661.94019	0.3
686.25543	4.3
686.35828	0.3
687.26202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	8.1
59.01384	100.0
61.98838	38.8
67.16095	6.4
69.15000	33.6
71.01376	35.8
73.02939	12.2
75.44614	6.8
85.02959	21.6
87.00892	9.4
88.98812	10.5
89.02444	22.7
93.03434	10.0
101.02453	28.2
110.89645	6.4
113.02434	17.7
113.26943	6.4
113.76545	6.3
119.03526	8.3
119.05099	6.0
133.56725	6.2
139.07640	12.3
151.07545	8.4
161.04555	7.2
175.04031	12.9
179.10796	8.5
190.02748	7.1
193.05009	8.5
196.48851	6.2
205.05125	7.5
226.37448	6.6
245.94753	6.1
248.31377	5.8
337.20090	9.9
508.95599	8.6
565.31458	7.1
627.34137	18.3
643.31366	28.5
687.40497	88.9
688.39319	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03436	1.4
59.01383	9.7
61.98831	1.9
69.03453	4.2
71.01383	6.2
71.05018	0.7
72.99322	0.6
73.02952	2.1
73.68497	0.6
75.00877	0.7
80.02692	1.8
81.03440	1.2
83.01392	1.5
83.05035	5.4
85.02941	1.8
87.00873	1.6
87.18346	0.6
89.02451	3.8
95.05013	0.9
96.93851	0.6
97.02907	0.9
97.06580	0.8
99.00877	1.9
101.02444	4.1
109.06499	0.8
113.02457	2.2
119.03515	0.7
121.02985	3.0
123.08150	1.0
125.09715	2.1
135.08124	0.8
137.09715	0.8
151.11249	2.7
153.12877	1.3
160.04018	0.7
161.04523	1.5
161.09680	3.6
163.11285	3.4
165.12822	1.7
167.07065	0.8
169.41391	0.6
171.10245	2.4
179.10760	6.7
181.12332	1.8
191.10732	1.3
197.11835	47.5
198.12239	0.9
199.13359	0.8
207.10284	3.3
209.11833	56.4
210.12103	1.5
223.09715	0.9
225.11346	4.4
227.12871	4.0
235.08087	0.8
241.10785	3.4
253.09378	3.4
271.94507	0.7
313.80737	0.8
459.18726	1.2
461.20340	0.8
477.19577	2.3
479.21262	1.1
512.62518	0.7
627.34241	1.3
669.31067	1.7
687.32257	100.0
688.32452	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	687.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56588	2.0
59.01382	11.7
61.35798	2.1
61.98819	7.2
68.99810	3.2
71.01382	15.7
72.69704	1.9
73.02941	2.6
78.95882	1.9
80.02658	2.8
81.03461	3.7
83.05038	6.5
85.02939	3.1
87.00841	2.2
89.02451	5.0
97.06616	2.5
101.02473	4.5
109.98957	2.8
110.03713	3.5
111.00914	2.6
111.04517	9.7
123.08202	2.6
123.97054	2.2
125.09728	5.1
131.40974	2.1
161.04517	4.2
161.09711	3.8
162.07747	2.6
163.11386	3.9
171.10291	47.3
179.10757	6.5
182.34088	2.5
185.11816	2.8
197.11797	7.7
199.09712	2.6
205.08704	13.5
207.10353	3.1
209.11844	100.0
210.12170	3.4
213.11339	4.6
223.09756	32.3
225.11403	4.9
227.12906	16.4
235.08353	4.2
241.10841	2.6
253.09242	11.2
355.55127	2.4
409.88229	2.6
416.84607	2.1
424.24557	2.3
459.18539	5.0
505.14291	2.6
556.96674	2.5
617.96643	2.4
651.29590	5.2
669.30878	6.5
687.31573	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	687.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
55.48521	1.2
56.64677	1.2
57.03455	2.8
59.01385	100.0
61.98838	11.3
65.87008	1.3
71.01389	25.7
71.42477	1.5
73.02947	10.5
75.84129	1.2
78.95905	1.6
82.42696	1.2
83.01407	3.8
85.02962	14.6
87.00860	1.9
89.02479	7.1
93.03477	1.6
95.01395	2.5
96.96017	1.4
97.02937	1.6
99.00901	4.7
101.02450	20.6
111.00928	1.8
113.02478	12.6
119.03522	1.9
121.02986	3.5
131.00803	1.2
134.03740	1.7
136.01694	1.3
137.02437	1.7
139.07687	2.7
143.03569	1.7
149.06209	1.4
150.06882	9.1
151.04042	1.4
151.07642	1.6
159.02957	3.4
161.04617	7.8
163.07718	1.8
165.01950	2.1
171.10353	1.7
175.04005	1.6
179.05595	2.0
179.10796	5.0
193.05072	2.3
285.03992	1.6
380.25262	1.4
409.69363	1.6
465.28311	8.8
479.33475	2.3
507.33087	2.1
525.34406	4.0
627.33911	88.7
628.33795	9.9
687.29114	2.0
687.40039	36.1
688.28595	1.9
688.39587	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	688.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42967	3.6
53.76165	3.5
55.49734	3.8
57.65547	4.0
59.01384	100.0
61.98826	10.0
65.25830	4.0
71.01078	5.7
71.01392	62.6
71.42059	4.3
73.02981	5.6
83.01428	4.2
83.61984	4.2
85.02959	19.2
89.02456	90.2
95.01378	5.1
101.02441	47.7
111.00916	10.4
111.81429	4.1
113.02474	30.8
119.03518	44.7
121.02970	11.7
125.02438	6.2
134.03778	35.1
143.03490	17.8
161.04524	25.8
175.04153	4.9
178.05116	19.0
179.05634	67.5
193.05061	52.7
221.32138	4.4
317.80460	4.9
318.44925	5.1
325.12021	6.1
374.07819	5.5
645.34888	61.6
676.41534	5.2
682.13647	4.7
688.35266	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	689.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78970	0.3
59.01385	6.0
61.98833	0.9
62.68260	0.3
63.02116	0.3
63.02415	0.7
65.00345	0.8
70.04696	0.4
70.05011	0.5
71.01391	3.1
83.01382	0.5
83.05047	0.5
85.02933	0.6
85.49989	0.3
93.03474	0.4
95.05011	0.4
99.24204	0.3
101.02423	0.6
107.01391	1.2
109.06598	0.3
111.00912	0.4
113.02473	0.3
117.03438	1.6
135.00955	0.4
135.08183	0.3
141.03430	0.6
151.00362	2.5
155.05064	0.6
159.04526	1.0
163.11296	0.7
169.06616	0.3
171.04559	0.5
171.10300	3.1
182.03685	0.6
183.04515	5.7
185.02507	0.8
197.11832	0.5
199.04028	0.4
201.11343	0.9
207.10292	1.2
209.11862	6.5
211.04021	3.5
225.11348	2.3
226.02858	0.7
227.03539	4.2
227.12900	0.9
253.09293	0.8
254.02188	0.4
255.03001	53.3
256.03354	2.0
257.04413	0.4
282.01495	0.5
283.02496	100.0
284.03006	4.4
285.04062	6.7
305.36801	0.4
383.05405	0.3
399.07303	0.4
459.09177	0.9
461.20068	0.5
485.10840	1.1
513.10394	4.1
514.11176	52.3
515.11871	10.6
516.12476	0.4
629.15210	1.7
688.33258	0.3
689.17230	25.0
689.35449	0.9
690.17584	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
61.98844	1.2
63.02415	0.6
65.00341	0.6
70.83906	0.2
71.01389	1.0
73.02957	0.3
73.33530	0.3
80.79289	0.3
82.95450	0.3
83.01420	0.3
85.02976	0.6
87.00903	0.3
89.02457	0.5
89.99153	0.2
93.03479	0.4
101.02437	0.5
107.01405	0.8
109.06591	0.3
113.02464	0.4
113.57170	0.2
117.03458	1.6
141.03514	0.2
143.05054	0.3
148.40027	0.2
151.00412	2.3
155.05054	0.8
159.04521	1.0
171.04514	0.7
171.10349	0.7
173.02307	0.3
173.06053	0.4
182.03789	0.8
183.04524	5.5
185.02473	0.6
187.71246	0.2
197.11763	0.3
199.03961	0.5
207.10309	0.5
209.11848	0.9
210.12126	0.3
211.03999	3.8
225.11319	0.5
226.02676	0.7
227.03522	3.6
239.03497	0.3
254.02275	0.5
255.03000	52.5
256.03458	2.0
283.02490	100.0
284.02957	4.6
285.04065	7.9
344.11896	0.2
352.85962	0.2
381.08438	0.3
399.07199	0.4
430.05045	0.3
459.09384	0.5
473.95193	0.2
485.10959	0.6
513.10431	3.8
514.11169	51.5
515.11871	11.2
516.12457	0.3
605.88678	0.3
629.15332	2.5
629.34656	0.3
630.15973	0.3
647.15851	0.3
647.36670	0.3
688.32385	0.4
689.17249	23.5
689.35156	0.7
690.17841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98826	11.5
62.57927	5.5
69.09478	45.3
69.85284	6.4
71.01382	27.6
73.02917	9.2
75.07985	6.3
85.02956	10.5
89.02440	11.9
98.22684	14.1
101.02447	23.8
102.39336	5.9
102.62656	7.0
113.02412	8.8
121.02956	14.3
154.43463	7.3
216.03552	7.1
231.66443	6.7
331.62332	7.0
409.84103	5.7
460.50882	7.2
629.35437	38.7
689.38837	20.6
696.37335	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	689.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40427	1.3
53.56436	1.3
59.01385	9.9
60.39025	1.6
61.98840	11.8
71.01379	7.0
71.05016	1.9
78.95896	5.6
81.03489	1.9
83.05021	5.4
85.02954	2.6
89.02436	2.8
97.02956	5.5
97.06609	1.9
99.00898	12.0
101.02445	4.2
113.02448	2.1
119.03517	1.7
125.09731	5.4
135.08185	2.0
161.04558	1.7
163.11293	9.6
165.12830	1.6
171.10289	2.6
181.12363	13.4
197.11868	5.4
199.13426	19.0
207.10303	29.5
209.11836	53.8
210.12215	2.3
225.11348	54.2
227.12926	9.4
243.12445	11.2
248.19518	1.5
253.09224	2.9
273.17148	7.3
291.19528	4.3
323.08234	1.7
336.53406	1.7
397.13776	2.2
461.20367	13.3
479.21469	3.4
653.32050	4.2
671.32880	6.6
689.33923	100.0
690.34125	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	689.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03439	0.7
58.00587	0.5
59.01385	29.1
61.98837	1.1
61.99126	0.2
69.03445	1.0
71.01387	22.3
72.99281	0.7
73.02953	3.6
75.00885	0.6
75.89489	0.3
80.02676	0.3
81.03451	0.9
83.01394	2.0
83.05025	0.9
85.02958	4.2
87.00883	4.4
89.02454	16.5
90.60529	0.2
91.03970	0.4
93.03480	0.4
95.01389	1.4
95.05009	0.7
96.98621	0.2
97.02962	2.8
97.06587	0.4
99.00885	1.4
101.02451	15.6
109.02940	0.5
109.06606	0.8
111.00869	0.6
111.04530	0.8
112.01655	0.3
113.02457	7.4
115.04001	0.3
119.03507	5.1
119.04910	0.3
121.03017	0.3
124.01711	0.2
125.02462	5.4
125.06048	0.5
125.09749	0.5
127.04017	0.4
127.11324	0.4
131.03531	0.7
133.05058	0.6
135.08176	0.5
137.02451	0.3
139.04010	0.5
143.03522	2.5
148.08932	1.1
149.04567	0.5
150.10493	1.2
151.11266	0.4
161.04593	3.7
163.11322	1.9
165.12868	20.2
166.13179	0.9
167.03479	0.3
171.10283	4.7
175.11263	0.4
176.12097	0.6
177.12860	0.3
179.05621	3.4
181.12418	0.6
183.21220	0.3
191.14481	0.7
197.11807	0.7
199.06206	0.5
201.11354	2.4
207.10281	2.6
209.11858	12.3
217.07231	0.4
221.06725	1.2
221.11749	0.3
225.11330	3.8
227.12943	1.4
235.08234	6.9
238.75131	0.2
243.12286	0.6
245.06572	0.4
247.20677	10.8
248.21054	0.6
253.09319	3.8
256.95309	0.3
263.07733	0.7
273.18585	6.2
274.39307	0.3
287.07660	1.4
291.19681	100.0
292.20029	5.9
305.08737	1.5
323.09836	0.9
358.18387	0.3
361.11411	0.4
379.12411	0.3
392.85272	0.3
397.13525	36.9
398.13791	1.9
415.14587	25.5
416.14731	1.3
461.20181	0.8
479.20807	0.3
653.31696	0.6
671.32892	0.6
689.33643	2.5
690.35797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	2.1
59.01378	18.0
61.98839	12.2
68.21833	1.9
69.66178	2.2
71.01382	50.5
73.02950	4.0
75.00839	1.9
81.03470	1.9
83.05051	6.2
85.02962	3.8
87.00887	4.4
87.59660	2.0
89.02446	5.0
95.01343	2.1
95.05013	2.1
97.02991	2.9
101.02450	6.4
109.06586	5.5
111.00848	2.2
113.02454	5.4
115.85934	2.1
121.33611	2.0
125.09767	3.2
127.11297	3.4
135.08203	2.7
163.11302	8.3
171.10271	41.6
171.38255	1.9
179.65530	1.9
181.12404	2.7
185.11835	3.6
197.11874	6.7
201.11267	16.0
207.10258	16.5
209.11848	100.0
210.12213	5.0
225.11328	29.2
227.13020	12.4
235.08258	3.7
239.83311	2.2
243.12372	3.9
251.12851	2.6
253.09312	13.1
273.16986	3.3
452.56995	2.1
461.20444	3.7
653.31287	3.5
671.32996	3.5
689.33398	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	689.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03453	1.5
59.01388	28.2
61.98841	5.4
71.01394	10.8
71.05017	3.8
71.07419	1.7
73.02953	3.6
83.01383	1.6
83.05038	5.8
85.02946	3.9
87.00880	1.3
89.02458	4.5
95.05038	2.2
97.02953	4.6
97.06586	2.9
99.00889	20.2
99.04539	1.2
101.02468	7.6
109.06608	1.4
110.03767	1.7
111.00876	1.8
113.02455	4.2
119.03535	2.0
121.02944	4.5
125.06049	1.3
125.09721	7.7
145.87567	1.1
153.12872	1.2
161.04587	1.5
161.09604	1.2
163.11314	16.1
165.12834	2.1
171.10286	13.6
181.12366	19.3
197.11652	1.1
199.13387	11.9
201.11305	2.3
207.08287	1.5
207.10284	31.4
208.10582	1.1
209.11838	51.9
210.12186	2.0
225.11328	43.8
226.11557	1.6
227.12885	5.5
231.80885	1.0
235.08147	1.8
243.12392	24.2
253.09235	3.9
291.19601	1.5
348.88953	1.1
461.20370	4.5
479.21439	12.1
513.20380	1.2
526.21106	1.1
585.32880	8.0
603.33875	6.3
671.32715	5.5
672.34100	1.2
689.33862	100.0
690.34241	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	689.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.8
59.01376	4.3
61.98829	13.9
71.87422	2.0
76.70747	1.9
81.03426	2.1
83.05010	5.7
97.02936	3.0
97.06573	9.1
107.05042	16.0
107.17725	2.3
109.06581	3.8
110.03750	3.8
111.04564	2.6
111.08160	2.7
121.03025	2.4
123.04508	3.2
123.08164	5.2
125.06073	13.2
125.09755	20.9
127.07620	5.7
135.08142	7.5
153.09265	15.5
163.11308	18.6
165.09146	2.8
165.12828	12.2
171.10303	43.0
180.47015	2.7
181.12413	2.4
185.11833	8.1
191.10730	7.6
197.11832	14.5
207.10295	13.9
209.11844	89.3
210.12189	3.0
217.12300	4.4
225.11285	6.9
245.15460	3.8
247.20598	8.9
261.18561	7.5
273.18646	5.2
277.17999	2.7
287.16556	11.6
289.18274	2.8
291.19684	67.0
292.20010	4.5
305.14236	4.6
305.17615	85.9
306.17850	5.8
307.19250	3.9
309.20734	100.0
310.21030	3.2
323.18652	14.7
361.20129	10.3
376.41803	2.5
379.21317	17.8
397.22321	4.7
415.23505	5.3
499.30798	2.9
543.32990	3.2
580.69073	2.4
591.35217	10.3
598.52600	2.6
602.34241	8.0
620.35742	3.8
671.41510	27.3
672.41772	5.0
679.69727	2.6
689.42853	32.4
690.42883	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	690.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.1
61.98824	2.3
63.40658	0.5
69.03460	0.7
69.08994	3.5
71.01383	1.5
85.02982	0.9
86.00156	0.5
89.02480	0.7
92.02681	7.8
93.03465	64.2
95.01381	2.7
96.96064	0.7
97.02968	0.7
98.21870	1.0
101.02481	0.9
108.02192	5.2
111.00903	0.6
113.02467	0.7
117.03468	1.0
120.02196	0.7
121.02974	2.5
123.00845	0.7
124.01685	1.3
125.02443	0.8
135.04541	0.9
136.01678	6.9
137.02455	100.0
138.02838	2.0
149.02446	0.7
149.04504	0.5
161.02538	0.7
169.06670	0.6
187.07800	0.8
187.09688	0.5
296.35349	0.5
399.16907	1.3
400.17328	0.8
402.19336	0.7
410.16873	0.6
424.17755	1.6
444.16382	0.6
476.20679	0.9
478.20850	0.5
484.19650	3.3
485.19965	0.6
487.87970	0.6
508.23526	1.3
527.19281	2.7
535.21997	1.6
541.23114	1.1
558.23724	1.1
568.25592	2.5
570.23474	4.8
571.23810	0.7
630.25598	36.8
631.26184	2.9
648.26660	6.1
680.42029	0.6
690.27667	67.8
691.27991	6.4
708.52527	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	690.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56441	0.1
59.01385	100.0
60.01712	0.5
61.98830	0.7
69.14962	1.1
70.37150	0.1
71.01395	0.3
93.03472	0.3
109.26094	0.2
110.05476	0.1
114.05611	0.2
120.46655	0.2
121.02965	1.2
131.75110	0.2
137.02495	0.4
156.06650	0.3
170.32588	0.2
209.37740	0.2
214.69318	0.2
225.51764	0.1
312.09668	0.1
381.04965	0.2
471.60339	0.2
563.11841	0.2
654.39117	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72653	0.4
59.01385	60.3
64.35140	0.5
69.06773	1.2
69.07179	2.0
77.90632	0.4
85.37952	0.4
98.22633	1.0
116.96236	0.5
121.08325	0.4
132.98212	1.6
151.56735	0.6
162.70218	0.5
167.01448	0.4
174.99260	32.7
176.76962	0.5
192.95789	0.9
217.00313	100.0
218.00650	1.6
374.99231	77.0
375.99573	1.8
439.48593	0.5
451.83337	0.5
532.98224	18.7
578.46533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63817	0.4
59.01383	24.2
60.01706	0.8
61.98837	2.2
63.02415	0.7
69.17476	2.2
71.01390	1.6
72.03175	0.4
83.01402	0.8
85.02953	0.8
87.00941	0.5
89.02438	1.0
98.64486	0.4
100.71928	0.4
101.02422	0.8
107.01408	1.1
107.40217	0.5
109.02959	1.0
111.00907	0.7
113.02470	0.7
116.48155	0.4
121.02968	2.3
128.40680	0.3
129.52612	0.4
133.03014	1.1
135.04478	0.5
145.02960	0.4
147.00862	0.5
151.00392	3.6
157.02888	0.4
161.02426	0.6
161.04604	0.5
171.04521	1.4
173.02380	0.5
175.04051	1.0
178.99896	0.5
187.04083	0.6
199.04019	5.1
201.01970	1.7
203.03587	0.4
209.11809	0.9
215.03482	2.6
226.02687	0.8
227.03458	4.4
242.02185	0.8
243.02995	3.8
255.03014	1.5
271.02490	59.5
272.02875	2.1
299.01981	100.0
300.02448	7.2
301.03519	5.1
395.06717	0.4
415.06827	0.5
447.00647	0.4
474.07971	1.8
475.08698	1.2
515.08362	1.3
516.09094	42.4
517.09808	7.8
618.49213	0.5
631.12982	2.3
649.14288	0.5
655.38293	0.5
664.63550	0.5
691.15192	41.2
691.35101	1.5
692.15680	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	691.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86177	0.5
57.03469	0.8
59.01085	0.8
59.01384	15.8
60.01734	0.6
61.98838	5.6
62.25288	0.5
63.02403	0.7
65.00348	0.7
65.03478	0.5
69.01398	0.5
71.01392	3.2
73.02959	0.8
81.03456	0.6
82.29947	0.5
83.01399	1.2
83.05051	2.2
85.02966	0.9
87.00922	0.7
89.02460	1.8
99.00903	1.0
101.02438	2.6
102.99910	0.5
107.01409	1.0
109.02968	1.3
111.00885	1.5
113.02450	1.1
119.03510	0.8
121.02947	1.2
128.99644	0.5
133.02960	0.7
147.00845	0.6
151.00418	3.3
152.13782	0.5
161.04510	1.0
163.11336	1.1
171.04549	1.3
171.10356	1.8
175.04054	1.5
181.12286	0.8
183.04439	0.7
185.11900	0.9
187.04045	0.7
197.11890	1.7
199.04037	4.2
201.01970	1.6
201.11351	6.9
203.03543	1.0
207.10165	0.8
209.11853	34.2
210.12184	0.6
210.78999	0.6
215.03561	1.9
225.11252	0.8
226.02499	0.8
227.03514	4.4
227.13000	4.4
229.01370	0.7
235.08228	1.3
238.59900	0.6
242.02190	0.6
243.02951	3.8
253.09279	3.2
255.03003	2.1
271.02505	58.6
272.02954	2.8
299.01996	100.0
300.02478	7.1
301.03558	3.9
475.08804	1.3
515.08307	1.3
516.09155	52.1
517.09705	8.0
631.13135	2.3
647.97968	0.6
659.29010	2.2
690.37268	0.5
691.15216	44.1
691.34320	1.7
692.15540	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	691.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
58.92324	0.4
59.01389	3.0
60.99312	0.9
63.37503	0.4
65.72452	0.4
67.01888	1.9
69.20158	2.7
71.01389	3.2
75.00884	0.6
77.62594	0.5
80.48365	0.5
81.03466	0.8
83.05045	0.9
85.02955	11.4
87.00888	6.2
89.02441	0.6
89.81784	0.4
93.03468	15.5
96.95969	0.6
99.04531	0.6
108.02203	0.8
109.02972	3.5
109.69122	0.4
111.00967	0.7
111.04537	2.5
115.00380	1.8
119.05057	3.6
125.28938	0.4
127.04051	2.7
129.01936	1.1
133.02948	0.6
134.02557	0.6
134.03719	0.6
135.02972	0.6
135.04559	1.5
137.02449	0.8
155.03494	0.4
161.02478	0.5
163.03981	2.9
171.03023	1.2
173.04572	9.0
179.03572	0.8
191.05634	100.0
192.06032	2.5
226.06354	1.5
227.07138	7.7
253.08858	0.5
255.10298	6.1
256.10834	0.5
271.04718	0.7
281.08298	1.3
289.05731	1.5
307.06143	1.4
332.07648	0.7
343.08307	1.9
462.11618	0.5
463.10925	2.0
499.12546	1.9
517.13641	2.2
675.54761	0.5
691.18817	39.6
692.19257	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	691.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
57.03459	1.4
59.01385	59.5
60.01716	2.6
60.72454	1.3
61.98832	6.4
69.03452	3.2
69.12155	3.0
69.12540	8.2
71.01389	10.5
71.05034	1.8
73.02953	2.6
75.35257	1.4
80.02696	2.5
81.03470	1.7
82.96400	1.3
83.01395	1.7
83.05029	16.3
84.02174	1.9
85.02971	4.2
87.00890	1.8
89.02452	4.9
97.06602	1.6
98.56228	1.4
99.00916	1.9
101.02462	8.1
109.06643	3.3
111.00919	4.0
113.02486	5.3
113.63526	1.4
117.67834	1.3
119.03478	2.7
121.03000	3.1
123.08211	2.0
125.09763	2.7
127.11307	1.4
135.08162	3.6
151.11281	3.1
153.12933	2.8
159.01259	1.3
161.04623	3.2
161.09723	3.0
163.07666	1.5
163.11292	2.7
165.12912	2.3
171.10283	3.0
179.10818	7.9
181.08734	20.3
182.23836	1.2
197.11850	98.8
198.12233	2.2
199.09685	2.1
201.11343	19.1
209.11855	100.0
210.12213	2.2
225.11316	2.3
227.12910	13.3
235.08217	4.4
241.10722	7.1
253.09317	11.5
445.20914	2.0
472.08807	1.4
477.20026	3.6
585.24011	1.4
659.29291	98.3
660.29437	5.3
691.30841	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17985	0.7
54.47862	0.7
57.03445	1.4
59.01387	24.7
60.01728	1.1
61.98842	6.1
65.01499	0.7
71.01399	5.0
71.05006	0.9
73.02953	2.0
81.03464	1.6
83.01372	1.1
83.05035	6.7
84.02213	1.4
85.02956	1.7
89.02448	2.5
93.19993	0.8
95.05022	2.9
97.06577	4.1
98.22620	1.7
99.00863	1.5
101.02460	4.4
108.60630	0.8
111.00882	4.0
113.02455	2.2
119.03562	1.0
121.03001	1.9
123.08182	7.0
125.06008	0.8
125.09717	1.4
127.11351	1.2
130.45828	0.8
133.06561	1.4
134.23015	0.7
135.08179	0.8
135.26106	0.7
142.71603	0.8
151.07640	3.1
161.04482	1.6
163.11320	3.8
165.12909	1.9
169.08716	9.0
171.10275	1.5
179.05603	0.8
190.17709	0.9
191.10800	1.8
197.11836	2.6
201.11386	15.9
209.11858	100.0
210.12175	2.9
225.11232	0.9
227.12907	12.1
235.08362	1.8
253.09341	7.1
292.77838	0.9
299.02103	1.6
386.21036	0.9
426.78680	0.8
437.20633	0.9
445.20367	1.9
464.11536	1.1
659.29333	32.6
660.29816	3.0
691.31732	8.6
692.32153	0.9
723.00409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
57.53608	0.5
59.01384	18.8
59.13693	0.5
61.98830	1.3
65.62518	0.5
69.03462	0.9
69.70159	1.1
69.70527	1.5
71.01013	1.0
71.01384	10.7
73.02939	1.7
75.00896	0.6
83.01395	1.4
85.02959	2.8
86.59372	0.5
87.00897	3.0
89.02455	10.8
95.01417	0.7
95.07793	0.6
95.36198	0.5
97.02967	1.8
99.00906	0.6
101.02453	8.8
113.02458	4.9
119.03522	3.3
125.02457	3.0
130.79346	0.5
143.03511	1.9
148.61121	0.5
161.04575	1.8
179.05589	3.0
179.14407	0.8
195.13908	7.0
196.14568	0.9
205.43590	0.5
209.11873	0.7
214.32941	0.5
217.54828	0.5
221.06641	1.4
223.13448	4.4
235.08272	3.0
244.48344	0.5
253.09193	0.7
256.13254	0.7
263.07465	0.6
275.20099	3.3
279.10477	0.6
287.07611	0.7
293.21240	100.0
294.21481	4.2
323.09726	0.7
397.13519	21.9
398.13654	0.6
415.14551	26.5
416.14713	1.1
449.77997	0.5
691.35431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91156	1.5
57.98956	1.3
59.01381	13.2
60.68459	1.3
61.98821	3.8
68.96428	1.4
69.37920	6.5
71.01377	6.0
80.32756	1.3
83.05022	4.5
89.02438	3.1
97.06579	5.5
98.21799	1.3
98.43805	1.2
101.02422	6.0
111.71803	1.2
113.02456	3.3
125.09733	1.3
151.11308	16.0
163.11278	2.7
165.12840	1.8
169.12364	70.2
170.12778	1.9
171.10307	1.8
195.10239	2.0
197.11902	1.7
209.11848	57.7
210.12297	3.5
213.11278	11.7
227.12949	3.8
235.08295	2.1
253.09248	6.2
293.21182	4.0
449.20233	5.5
641.32367	2.4
659.32904	100.0
660.33295	9.5
691.35822	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	692.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01715	1.1
61.98836	9.9
64.88589	0.5
71.01388	1.6
71.99622	0.5
73.02946	0.5
85.02984	0.7
89.02462	1.0
100.46921	0.5
111.00913	0.8
114.98615	0.6
121.02965	61.5
122.03283	1.1
125.02464	0.6
137.02429	0.9
151.00392	0.6
160.04074	1.4
164.04854	0.8
164.64946	0.5
183.04530	0.6
191.05598	0.9
193.05238	0.5
203.86197	0.4
227.03575	1.6
255.02991	9.1
283.02487	12.1
284.03329	5.2
285.04022	2.6
299.02011	1.1
326.87000	0.6
335.12543	1.0
336.12802	0.8
360.58899	0.6
361.40222	0.5
376.17831	0.6
402.19437	1.4
411.07071	1.1
446.08670	2.9
447.09274	0.8
498.21585	1.3
531.11786	1.4
540.22498	3.1
572.24695	1.0
630.62897	0.6
692.38501	0.7
693.16644	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	692.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04934	0.2
59.01382	100.0
59.40807	0.3
60.01730	0.4
61.57754	0.3
61.98832	5.8
71.01415	0.3
98.47224	0.3
121.02967	16.1
151.00464	0.4
185.60297	0.3
185.62511	0.2
193.05162	0.4
199.04016	0.5
200.53275	0.3
227.03616	0.8
229.05064	0.5
243.03108	0.6
255.03114	0.9
259.76926	0.3
271.02493	7.9
271.05319	0.5
284.03409	0.7
285.04169	0.5
299.01965	13.4
300.02835	0.7
301.03516	2.6
388.02966	0.3
487.09235	0.4
488.09509	3.0
489.10608	1.2
505.09839	0.9
508.19977	0.4
521.88489	0.3
530.11011	1.0
531.11694	0.9
540.22565	1.1
693.16797	7.6
693.28485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54211	0.4
65.00316	0.4
65.36908	0.4
69.16986	2.9
85.62704	0.4
93.03480	0.5
101.44392	0.4
107.01391	0.8
113.02024	0.4
117.03482	1.7
135.00914	0.6
151.00388	1.9
159.04543	1.0
171.04501	0.5
182.03813	0.6
183.04532	4.1
185.02464	0.4
187.03920	0.5
211.04056	2.4
226.80925	0.5
227.03488	4.1
239.03348	0.7
255.03008	44.5
256.03445	1.5
268.03940	0.5
281.04526	0.6
283.02496	100.0
284.03040	7.1
285.04065	26.6
285.07330	0.8
286.04425	1.2
297.04147	1.0
326.04111	0.4
327.05148	1.1
445.07718	1.4
446.08542	40.0
447.09186	5.3
471.09467	1.8
531.11462	17.7
532.11725	1.7
573.12457	1.5
579.03223	0.4
633.14624	2.4
651.15552	0.6
693.16809	22.3
694.17255	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	693.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09321	0.2
61.98845	0.2
63.02405	0.4
65.00347	0.4
67.36092	0.2
71.01383	0.4
71.57236	0.2
80.52910	0.2
83.00928	0.2
83.01398	0.5
84.02234	0.2
89.02435	0.4
93.03474	1.1
101.02441	0.2
107.01398	0.8
109.02959	0.4
111.00860	0.3
113.02421	0.3
117.03448	1.0
121.02965	0.5
132.02144	0.2
133.02977	0.2
134.03709	0.8
135.00929	0.3
137.02449	0.2
141.85840	0.2
143.05075	0.4
145.02975	0.3
149.06114	0.4
151.00397	2.0
151.68582	0.2
154.04254	0.4
155.05006	0.5
156.34094	0.2
159.04530	0.8
160.01682	0.4
163.00363	0.4
167.05002	0.3
169.01405	0.2
169.06627	0.6
171.04521	0.6
173.02376	0.2
175.04080	0.5
178.02748	0.4
182.03717	0.4
183.04517	3.1
184.05254	0.2
185.02513	0.5
185.06053	0.8
187.04039	0.7
189.05609	0.3
192.00655	0.2
193.05066	1.1
195.04582	0.3
197.76144	0.2
199.03952	0.4
201.05612	0.3
207.35983	0.2
211.03993	2.6
212.04747	0.2
213.05542	0.6
214.02681	0.5
215.03534	0.3
227.03499	4.6
229.05026	0.7
239.03500	0.6
241.05034	0.4
243.03004	0.6
255.02994	37.4
256.03479	1.7
257.04715	0.5
269.04572	0.8
281.04678	0.6
281.12375	0.2
282.01886	0.3
283.02490	73.0
284.03131	6.4
285.04050	100.0
286.04404	3.3
297.04135	0.7
298.04742	0.6
299.05713	0.4
307.06082	0.7
309.04047	0.3
327.05099	3.9
337.09055	0.4
350.79919	0.2
357.06027	0.3
445.07660	0.2
446.08533	14.9
447.09314	19.6
448.09613	0.9
471.09637	0.6
488.09576	0.3
489.10352	0.6
513.23273	0.9
531.11273	10.3
532.11292	0.3
573.12817	0.6
611.27838	0.2
633.14502	1.2
651.15753	0.3
693.16760	26.2
694.17371	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	693.168
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.4
65.00348	0.6
65.42105	0.2
68.38473	0.2
69.42680	1.1
83.01388	0.5
93.03487	0.5
107.01421	1.3
110.55254	0.2
117.03471	1.0
121.04013	0.2
133.02963	0.3
141.03496	0.2
151.00368	1.7
155.05066	0.6
159.04524	1.0
167.89430	0.2
171.04498	0.5
182.03743	0.5
183.04533	4.9
185.02480	0.7
187.04028	0.3
195.04428	0.2
211.04015	3.3
227.03539	4.9
239.03506	0.7
255.03014	49.7
256.03476	2.3
268.03882	0.4
269.04562	0.5
271.02548	0.5
283.02502	100.0
284.03088	7.6
285.04071	13.2
286.04428	0.5
296.03152	0.4
297.04120	0.7
299.01962	1.1
326.04376	0.6
411.07388	1.2
429.07953	0.5
445.08072	1.5
446.08585	35.3
447.09131	2.8
471.09308	1.9
472.09930	0.3
489.10492	0.9
531.11499	33.5
532.11871	2.0
573.12677	2.4
574.13287	0.3
633.14484	0.8
651.15448	0.4
693.16760	19.0
694.16754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.2
59.78349	0.4
60.01706	0.5
61.88715	0.4
61.98840	0.7
64.69839	0.4
65.00339	0.5
69.22188	1.6
71.01395	1.3
83.01382	0.6
85.02962	0.8
85.95016	0.4
89.02435	0.5
93.03522	0.5
101.02432	0.4
101.62793	0.4
102.38251	0.4
107.01405	0.8
111.00905	0.6
113.02438	0.6
117.03486	1.2
121.02966	1.1
134.03745	0.8
149.06094	0.6
151.00363	2.1
159.04518	0.9
160.01637	0.7
169.06703	0.5
171.04549	0.9
173.06158	0.4
175.04042	0.9
182.03830	0.4
183.04463	3.8
185.02373	0.5
193.05070	1.6
199.04080	0.5
211.03993	3.1
227.03534	4.7
235.06212	0.5
241.75380	0.4
255.02992	47.5
256.03461	1.5
271.02432	2.7
281.04565	0.6
283.02490	100.0
284.03104	8.5
285.04059	13.2
285.07312	0.5
297.03882	0.7
299.02008	4.3
301.03616	0.8
326.04440	0.5
327.05023	0.8
337.09189	0.7
352.74158	0.5
411.07349	1.8
414.37527	0.5
445.07974	1.0
446.08548	34.3
447.09195	2.4
471.09323	2.2
488.09637	0.9
489.10489	3.3
508.80820	0.4
513.23376	0.5
531.11359	31.2
532.11707	1.7
573.12671	3.2
633.14734	2.0
651.15338	0.7
663.42676	0.5
693.16718	21.2
694.16718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84744	0.7
57.03456	0.6
59.01368	5.6
61.98835	3.8
63.02410	2.8
65.00346	2.3
65.84951	0.7
69.28566	2.7
69.28975	1.6
77.22650	0.8
78.90897	0.8
83.01402	2.1
85.02963	1.3
89.02435	1.2
98.21895	1.3
101.02435	1.5
107.01390	5.0
111.00895	1.7
113.02461	1.0
117.03476	1.7
120.02122	0.7
121.02964	1.0
131.03519	0.7
132.02179	1.5
151.00389	14.5
155.05080	1.1
159.04480	1.7
160.01759	0.9
163.00375	1.2
164.01166	2.1
169.01408	1.3
171.04488	0.7
178.99823	1.5
183.04539	4.0
187.03996	1.4
193.37082	0.7
199.03975	3.4
211.04047	4.6
215.03401	0.8
226.02650	0.9
227.03479	10.1
239.03426	0.9
242.02094	0.8
243.03006	2.7
255.02992	66.7
256.03467	2.7
257.04517	1.3
271.02493	28.0
272.02853	1.2
280.09711	0.7
283.02490	100.0
284.03253	55.1
285.04037	20.1
297.04047	1.4
299.01984	52.6
300.02634	4.5
301.03519	12.1
313.03412	0.8
372.06894	0.9
446.08557	14.8
447.09311	22.5
453.90601	0.8
471.09326	2.6
488.09592	15.0
489.10251	11.9
495.25928	1.8
505.09885	3.8
513.10803	0.9
521.18829	0.7
531.11450	14.1
531.19983	1.1
573.12732	1.1
632.58026	0.8
633.15002	1.9
651.15417	1.2
693.16730	88.4
694.17230	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	693.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35985	0.2
59.01383	1.0
61.46158	0.2
65.93327	0.2
70.51232	0.2
70.51570	0.5
71.01398	0.8
73.02942	0.3
83.01430	0.3
85.02967	1.3
87.00871	0.3
89.02461	0.5
93.03481	0.8
98.21980	0.2
101.02449	0.7
111.00893	2.7
113.02448	0.4
117.03460	0.6
119.05037	88.9
120.05360	1.7
121.02952	0.4
129.01978	0.6
133.02992	0.4
135.04529	0.3
135.66911	0.2
145.02992	1.4
145.95361	0.2
154.99902	0.5
161.04579	0.4
161.05980	0.3
163.04021	100.0
164.04329	2.3
170.88312	0.3
173.04501	0.3
191.05630	2.6
192.05975	0.4
201.30269	0.2
205.05170	0.2
216.86217	0.2
235.11873	1.0
325.09290	13.6
326.09579	0.4
367.16022	2.8
369.11807	0.5
519.15063	0.9
531.16980	1.2
551.06940	0.3
569.32831	0.3
693.19672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58781	0.1
58.04089	0.1
59.01383	3.4
60.01723	0.2
61.01818	0.3
61.98837	100.0
62.98549	0.1
67.68546	0.1
70.03062	0.1
71.01399	0.7
82.95446	0.2
85.02963	0.3
89.02454	0.3
101.02468	0.4
105.24973	0.1
107.01410	0.2
108.05982	0.2
113.02469	0.2
116.74937	0.2
119.03506	0.2
121.03009	0.4
126.86588	0.1
136.75833	0.2
149.06184	0.2
151.00450	0.2
160.04051	0.1
185.02266	0.1
205.29839	0.1
227.03520	1.9
227.05626	0.2
255.03001	3.6
256.03586	0.4
275.14911	0.1
283.02560	1.1
284.03296	3.8
284.06314	0.3
285.03992	1.0
603.93903	0.2
633.14740	0.4
651.16675	0.2
693.16791	2.3
693.33636	0.8
694.17053	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.8
61.98816	0.9
71.01403	4.3
73.02930	1.0
78.95889	1.1
80.02696	1.5
81.03460	2.9
83.01408	1.2
83.05026	3.2
85.02955	2.1
87.00854	0.8
89.02433	3.7
95.04995	0.7
97.02950	6.1
99.00886	1.7
101.02452	5.6
106.04242	1.0
107.05035	0.7
109.06596	36.3
110.03747	2.6
113.02451	2.8
116.06399	0.7
119.03516	1.1
120.22487	0.6
121.02902	0.6
121.06590	2.0
123.04519	0.6
123.08142	0.7
135.08176	4.4
136.05313	0.8
141.01964	0.7
142.02695	1.1
145.10217	0.7
161.04594	1.0
161.09734	2.4
163.11293	20.8
164.11781	0.8
179.05536	0.6
181.12338	8.4
189.09210	3.1
193.64148	0.6
205.68427	0.6
207.10272	100.0
208.10583	3.2
209.11865	1.9
225.11325	37.5
226.11703	1.4
231.17630	1.1
235.08284	3.2
243.12392	0.7
249.18607	66.9
250.18846	2.8
253.09285	14.3
277.21884	1.0
281.14175	0.7
299.14880	1.6
311.22336	1.4
391.80145	0.7
413.30640	1.9
439.28357	1.4
443.19321	4.8
447.41354	0.6
457.29651	0.7
461.20374	13.1
462.20853	0.7
538.73340	0.7
675.37122	1.3
693.38556	34.7
694.38568	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	695.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55734	0.9
55.01876	1.3
55.03672	1.0
57.03425	2.4
59.01384	66.5
61.98818	3.2
62.97737	0.9
69.42753	3.1
69.43154	2.5
71.01389	35.5
71.20879	1.1
72.99266	1.1
73.02937	4.2
75.10887	1.1
83.01367	3.6
84.02148	1.0
85.02952	12.8
87.00853	1.8
89.02450	32.6
95.01386	4.0
95.05036	2.0
96.25500	0.9
98.22670	1.6
99.00859	2.4
99.04525	1.8
101.02443	23.5
103.92490	1.1
111.00869	3.2
113.01724	1.2
113.02452	14.6
113.06052	1.2
116.92858	1.4
119.03516	9.7
120.05784	1.1
121.05075	13.8
134.03662	1.2
143.03481	2.2
161.04556	5.9
161.13367	17.6
172.08891	1.7
175.03972	1.9
179.05574	3.0
187.11305	24.6
191.05563	2.6
194.70358	1.1
205.12346	17.7
219.13953	1.1
229.12321	2.6
231.10208	2.5
247.13405	1.6
249.11263	3.4
261.21317	1.1
263.06308	1.1
283.02524	1.6
283.10370	27.9
342.13541	1.2
395.54391	1.0
429.12668	1.1
471.22256	3.1
491.15674	1.6
515.21362	100.0
516.21753	5.1
643.90656	1.2
695.27509	50.0
696.27905	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	695.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01385	58.4
61.98828	6.7
62.74263	1.3
68.99832	1.4
71.01387	30.6
71.42390	1.0
72.99323	2.1
73.02957	5.0
83.01393	3.1
85.02956	11.1
87.00852	3.0
89.01940	2.1
89.02458	25.7
95.01384	2.8
95.05038	1.2
96.95994	1.3
99.00874	1.5
99.04535	2.0
101.02450	22.2
105.01974	1.0
107.05047	1.4
109.02937	1.3
111.00902	3.8
113.02459	16.2
116.92864	1.3
119.03506	10.5
121.05072	13.5
125.02456	1.2
131.03548	1.8
134.03767	9.2
143.03482	1.9
146.96439	0.9
149.06125	1.3
159.08142	1.1
160.01721	1.0
160.04025	5.8
161.04535	7.6
161.09698	1.8
161.13373	10.2
169.10432	1.2
175.03960	2.0
178.02792	1.6
179.05649	3.3
187.09744	1.7
187.11296	20.5
191.05624	1.6
193.05070	10.6
203.10823	1.0
205.12355	11.6
216.03644	1.2
229.12308	1.3
231.10286	3.8
247.13281	1.3
249.11311	3.3
255.02982	2.0
283.02350	2.5
283.10358	25.5
284.02792	2.4
285.03302	2.3
471.21848	1.3
473.14505	3.2
490.61157	1.2
515.21387	100.0
516.21625	3.7
634.26654	1.2
695.27649	49.0
696.27478	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	695.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.57273	0.1
61.98797	0.2
67.83020	0.2
69.90547	0.5
71.01382	2.4
73.02950	0.5
80.02692	1.0
81.03458	1.2
83.01391	0.3
83.05029	4.4
84.02195	0.8
85.02952	0.6
87.00851	0.3
89.02440	1.7
95.01395	0.2
95.05034	0.5
97.02962	0.3
97.06570	0.3
98.21671	0.2
101.02464	2.1
101.14105	0.1
106.19042	0.2
109.06572	0.2
110.13470	0.1
113.02437	1.3
115.03960	0.2
119.03474	0.5
125.06095	0.7
135.08156	0.5
143.03506	0.2
161.04579	0.7
163.10013	0.3
163.11317	3.4
165.12865	2.2
178.40460	0.2
179.05589	0.2
180.60513	0.2
181.08760	0.3
181.12352	0.7
191.10837	1.0
205.19571	0.4
209.11845	100.0
210.12189	3.6
227.12914	10.0
228.13242	0.4
231.17538	0.4
235.08250	1.1
238.06648	0.2
249.18616	44.3
250.18925	2.1
253.09314	6.8
277.21799	0.5
350.13101	0.2
445.20892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.6
61.83298	0.4
61.98839	4.7
64.67591	0.4
64.77004	0.5
69.03442	0.6
70.50010	0.5
71.01379	1.5
73.02966	0.4
85.02982	1.4
89.02438	0.9
97.02926	1.1
99.00825	0.5
101.02464	0.6
101.66861	0.5
106.04258	1.4
111.00893	1.3
112.22895	0.5
113.02497	0.7
119.05066	0.5
121.02969	100.0
122.03308	1.1
125.02486	2.4
135.04539	6.5
143.03528	1.8
161.57225	0.4
163.04034	0.6
164.10837	10.1
165.11104	0.5
171.52283	0.5
217.68892	0.5
334.30225	0.5
367.09680	0.6
375.55783	0.5
435.28818	0.5
604.66754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98828	0.2
67.45974	0.1
68.99826	0.1
69.03467	0.5
71.01389	1.0
72.99313	0.2
73.02950	0.3
77.03999	0.3
77.58250	0.1
81.03474	0.3
83.01415	0.2
85.02969	0.9
87.00884	0.5
87.04523	0.3
89.02459	0.3
95.01405	0.2
97.02978	1.0
99.00879	0.3
99.04558	0.2
101.02453	0.7
106.04256	1.3
113.02450	0.5
115.04050	0.2
119.03526	0.1
121.02969	100.0
122.03305	1.6
122.61082	0.1
123.59174	0.1
124.01694	0.4
125.02464	3.3
127.03915	0.1
135.04541	5.9
136.04823	0.2
143.03510	2.1
155.82698	0.1
160.04092	0.1
161.04614	0.2
163.04030	0.8
164.10820	10.8
165.11095	0.2
175.04269	0.1
184.42296	0.1
217.05145	0.1
223.06091	0.3
265.07120	0.1
272.12891	0.6
349.09378	0.3
367.10596	0.2
409.11456	0.4
435.05127	0.1
696.49841	0.1
712.71594	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	696.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
61.98835	2.5
69.03467	0.2
71.01397	1.0
73.02949	0.4
77.03979	0.3
83.01392	0.7
85.02966	0.7
87.00887	0.5
89.02473	0.2
95.01401	0.3
97.02958	0.4
99.00884	0.5
101.02457	1.0
106.04261	1.3
108.02217	0.2
111.00886	0.3
113.02470	0.5
121.02971	100.0
122.03299	1.4
124.01680	0.2
124.83229	0.2
125.02461	1.3
135.04559	1.8
143.03511	1.3
143.27437	0.2
160.04121	0.2
163.04066	0.4
164.10815	6.9
180.74997	0.2
255.02919	0.2
272.13074	0.3
285.03775	0.2
337.31549	0.2
406.02756	0.2
409.11270	1.2
409.69254	0.2
696.35608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	2.9
57.75819	2.8
59.01383	49.0
61.98835	67.2
70.45061	6.4
71.01375	22.6
73.02950	4.3
82.95432	15.1
85.02952	11.6
85.87434	3.0
87.00895	4.3
89.02444	12.9
89.27628	2.6
93.03547	3.1
98.21963	3.1
101.02441	10.1
102.02752	3.1
111.00871	10.8
113.02448	12.6
113.61504	2.8
116.92865	10.0
121.02972	100.0
125.02449	5.6
127.04044	3.5
134.03743	4.0
135.04533	5.3
159.46960	2.7
160.01572	3.0
163.04044	3.1
164.10759	8.5
175.04042	4.6
196.21129	3.1
209.11830	4.6
578.60046	3.1
635.38403	4.0
636.38257	9.0
652.38495	7.8
654.39166	4.4
696.38702	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	696.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08416	1.0
59.01385	33.8
59.53442	1.1
61.98839	4.9
71.01394	22.6
73.02953	2.6
78.74579	1.1
81.03446	1.5
83.01416	3.6
83.05045	5.1
85.02969	6.3
87.00883	3.9
89.02452	17.3
95.01403	1.9
95.05051	1.4
97.02957	4.3
98.22674	3.1
101.02447	16.8
111.04525	1.5
113.02465	8.4
119.03527	6.1
121.02979	1.3
123.04592	1.2
125.02463	6.5
133.05080	1.3
143.03458	1.9
161.04584	5.1
162.03035	1.2
163.11281	3.9
164.11638	1.5
165.12854	1.6
179.05693	3.7
201.11351	3.7
209.11848	100.0
210.12193	41.9
210.14198	2.8
221.06645	1.2
227.12935	13.1
228.13242	5.4
235.08260	8.0
249.18623	37.7
250.18956	26.9
251.19275	1.2
253.09309	9.5
254.09653	3.6
255.23318	52.8
256.23654	1.5
277.21832	2.3
287.07727	2.5
305.08899	1.5
354.24805	1.7
397.13513	79.8
398.13812	3.3
415.14630	23.8
556.30560	1.4
571.31738	1.2
653.37805	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	696.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.9
56.70980	1.0
59.01385	51.7
61.98833	7.5
69.03465	2.0
71.01385	30.1
72.99321	1.9
73.02953	5.6
78.97969	0.9
81.03496	1.7
83.01383	2.6
85.02970	6.6
87.00871	7.9
89.02451	27.6
95.01434	1.4
97.02961	5.1
99.00873	1.6
101.02451	24.5
103.04079	0.9
109.03001	1.1
113.02444	12.4
115.04095	0.9
119.03523	9.6
125.02455	7.4
131.03531	1.6
133.05095	0.9
139.04007	1.6
143.03517	3.2
149.04478	1.0
161.04585	5.6
170.71140	1.1
179.05611	4.3
185.11865	4.6
221.06654	2.2
235.08241	10.0
240.84070	1.0
249.18430	1.2
253.09256	2.8
255.23315	86.8
256.23630	3.8
263.07843	1.4
287.07733	3.1
305.08813	3.8
323.09808	1.2
338.47412	0.9
379.12491	1.0
397.13541	100.0
398.13693	4.2
415.14578	31.4
653.37354	3.4
697.37970	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56264	1.3
50.68879	1.1
50.75286	1.2
57.03447	2.7
59.01385	48.3
61.98513	1.1
61.98836	21.8
63.00341	1.1
71.01385	30.4
72.99310	1.3
73.02959	5.1
77.32388	1.2
80.02711	1.9
81.03473	4.8
82.95440	1.3
83.01389	2.6
83.05051	7.6
84.95124	1.4
85.02949	8.0
86.05882	1.1
87.00883	3.1
87.04536	3.9
88.98811	2.2
89.02454	10.0
95.01386	1.9
97.02979	1.6
97.06609	2.5
98.25978	1.3
99.00906	2.2
99.04594	1.3
101.02456	12.3
107.72896	1.0
109.06589	1.9
111.00896	2.5
113.02459	11.5
116.92850	1.7
117.07109	3.6
119.03516	4.0
119.07939	1.2
121.02953	7.0
122.03360	1.6
123.04542	2.2
125.02434	1.8
133.06630	4.4
134.03719	1.2
135.08183	17.7
143.03554	1.5
153.09222	3.8
160.01750	1.3
161.04567	4.4
161.05962	1.6
163.11340	2.5
165.12874	1.6
173.06143	1.3
175.04024	1.6
179.03613	1.1
179.05714	1.9
179.07150	23.6
181.08722	4.5
193.05025	1.3
197.08257	8.2
203.07277	1.1
207.10301	3.2
209.11845	100.0
210.12224	3.5
225.11339	2.7
227.12903	17.1
227.15015	1.6
235.08212	1.6
253.09245	12.1
265.10574	1.0
285.04123	1.5
433.16672	1.9
461.20590	1.5
491.28409	1.5
493.35596	2.0
533.34375	1.2
637.39545	18.3
643.30078	3.3
644.30994	3.5
653.34052	8.0
655.40979	5.4
697.41437	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	698.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98792	0.2
59.01385	1.1
61.47086	0.2
61.98834	100.0
67.45916	0.2
69.46438	0.7
69.46851	0.4
71.01422	0.2
73.27367	0.2
74.13943	0.2
74.59583	0.2
78.28647	0.2
89.02453	0.4
90.32547	0.2
98.21898	0.2
101.02473	0.3
109.07927	0.2
111.00884	0.3
123.07726	0.2
151.00479	0.3
175.04144	0.3
179.54550	0.2
190.21764	0.2
227.03490	0.4
255.02985	3.8
256.03598	0.2
283.02490	9.4
284.03235	0.8
285.04041	2.1
410.58060	0.2
429.08432	0.4
430.09097	2.6
431.09802	0.8
489.10367	3.2
635.16180	6.9
635.26178	0.4
636.17017	0.5
666.23553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22903	0.2
57.03448	0.3
59.01387	1.0
59.34188	0.1
61.98836	100.0
69.12234	0.5
69.12643	0.5
71.01405	0.6
81.26826	0.1
85.02962	0.2
89.02458	0.4
101.02480	0.3
111.00922	0.3
135.04550	0.2
145.03040	0.2
151.00409	0.3
160.04037	0.1
175.04051	0.2
183.04581	0.3
192.79935	0.1
255.03020	3.3
256.03494	0.2
260.91153	0.2
283.02509	9.3
284.03149	0.9
285.04074	1.8
337.09149	0.2
429.08466	0.4
430.09064	2.3
431.09872	0.9
449.14258	0.2
489.10489	2.4
635.16168	6.2
636.16614	0.3
666.23584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95226	0.5
59.01385	2.2
61.98839	4.2
69.09749	1.2
69.10130	3.6
70.02967	0.6
71.01378	1.3
72.04540	3.7
82.02993	74.0
83.03343	1.1
85.02963	1.1
88.18181	0.5
89.02462	0.9
91.05551	5.6
98.02486	7.7
100.04056	40.3
101.02454	0.9
107.31042	0.6
154.30635	0.5
160.04080	1.4
176.10843	0.8
191.05722	0.9
202.08762	15.7
203.09094	1.0
204.10289	0.9
214.61900	0.6
220.09843	0.9
244.74753	0.6
248.09306	100.0
249.09697	3.0
352.75198	0.6
415.56442	0.6
501.92468	0.6
557.25641	0.6
591.55127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01382	13.5
59.10847	0.7
61.98831	5.7
65.00336	0.9
68.85528	0.8
70.91911	0.8
71.01398	5.5
73.02962	1.6
75.00867	1.7
83.01394	2.6
85.02951	3.5
88.98804	1.0
89.02431	4.0
93.03477	1.2
96.96022	1.0
99.00913	0.8
100.74968	0.8
101.02439	3.5
107.01394	2.4
111.00840	4.1
113.02423	2.5
116.92879	0.8
117.03480	1.3
119.03474	0.8
121.02967	30.0
121.87276	0.8
122.03295	10.1
123.03418	3.0
123.04398	0.8
125.02430	0.9
135.04532	1.7
143.03458	1.0
151.00375	5.1
160.17470	0.7
160.47096	0.8
161.04581	1.0
163.00421	1.1
164.10811	1.9
165.11194	1.0
179.03439	1.0
179.05595	0.8
183.04562	2.0
188.24707	0.9
211.03987	2.9
227.03505	3.6
229.10870	1.2
255.03003	54.3
256.03461	3.4
257.04630	0.8
268.03775	1.7
269.04468	1.7
283.02499	100.0
284.03235	33.7
285.04004	10.0
381.06348	1.9
399.07147	2.6
407.68414	0.9
441.07886	1.2
446.08508	9.3
447.09357	8.5
448.09711	0.9
501.10529	12.0
502.10837	1.0
537.11621	8.7
537.32745	0.8
543.11395	1.4
561.12329	3.9
621.36920	1.3
639.38281	5.9
663.15692	94.0
664.16241	10.1
699.38739	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	699.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38603	3.2
55.01878	7.2
57.03463	5.5
59.01386	100.0
61.98833	39.0
71.01385	43.8
72.99290	3.5
73.02950	9.6
83.01388	6.1
85.02956	24.8
87.00871	8.6
88.98862	4.2
89.02452	15.6
95.01409	4.0
96.96044	4.2
99.00874	4.9
99.04524	3.5
101.02460	31.2
106.09441	3.2
111.00903	6.9
111.35033	3.5
113.02470	16.7
116.92874	4.6
119.03530	3.4
121.02966	32.5
122.03284	3.5
150.03186	3.9
160.04057	3.8
161.04578	4.2
161.16974	3.2
175.04025	6.6
193.05116	4.4
251.34885	4.2
255.03233	4.6
258.62149	3.3
283.02399	4.2
284.03271	3.5
302.60135	4.0
384.26605	4.4
477.32242	10.4
489.33978	3.6
519.33014	4.8
537.30896	4.3
544.13361	3.3
621.36505	29.8
639.38208	30.3
681.38586	35.8
699.39569	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
57.03466	3.7
58.00594	1.8
59.01385	100.0
60.01714	0.5
61.98830	1.2
69.03466	1.0
69.45562	2.2
71.01389	59.0
72.99317	1.9
73.02954	9.0
78.81725	0.4
83.01398	1.6
85.02950	7.8
86.00111	0.8
87.00892	6.7
89.02454	84.3
95.01404	1.6
97.02964	1.2
98.21877	0.5
99.00891	0.8
101.02455	33.6
109.02932	0.6
113.02464	14.8
119.03515	13.3
125.02456	2.6
131.03514	26.1
134.07405	0.6
136.01579	0.5
137.07133	0.5
139.78394	0.4
143.03517	3.4
149.04572	43.8
149.09787	1.1
151.03983	0.8
160.66678	0.5
161.04567	4.9
170.05400	0.5
179.05644	14.7
179.98035	0.6
191.05627	12.8
192.38725	0.5
195.66087	0.5
196.64632	0.5
207.13953	1.0
221.06503	0.8
251.07788	1.4
255.28639	0.5
293.08762	1.5
297.11594	0.6
311.09760	0.7
323.10031	0.6
335.79630	0.5
365.14209	0.6
384.06018	0.5
469.99490	0.6
521.88739	0.6
567.26337	2.4
699.30939	38.7
700.31360	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	699.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.7
70.02919	0.7
70.23179	1.5
71.01380	1.6
71.59714	0.7
71.73563	0.5
75.79303	0.6
79.40081	0.7
89.02439	1.5
101.02457	1.7
105.70623	0.7
125.09690	0.7
127.11265	0.9
161.04636	0.9
171.10281	100.0
172.10600	3.0
209.11942	0.9
210.12355	0.8
235.08250	1.9
249.18611	44.8
250.18936	2.6
253.09351	4.8
340.50555	0.8
348.64932	0.7
407.19107	2.1
438.32599	0.7
518.17609	0.7
579.28619	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01382	3.7
61.98827	0.7
67.33738	0.4
71.01389	2.6
73.02945	0.6
85.02952	1.2
87.00861	0.5
89.02452	2.1
97.03005	0.6
97.06567	0.5
101.02461	2.1
113.02451	1.3
118.49880	0.5
119.03550	0.6
125.09729	1.8
127.11280	1.7
137.09798	0.5
143.03520	0.5
161.04579	0.5
163.11336	1.5
165.12801	2.4
171.10283	100.0
172.10626	2.7
181.12326	0.9
193.16042	0.8
197.11862	0.6
209.11862	0.8
223.13499	0.7
235.08226	3.4
247.20703	3.3
253.09288	7.2
273.18613	0.7
287.28342	0.5
291.19693	35.6
292.19998	2.1
306.25369	0.5
309.20731	45.1
310.20996	2.8
342.35062	0.4
342.96378	0.5
407.19370	0.9
501.12125	0.7
569.69098	0.5
582.81714	0.5
602.28680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67073	0.1
57.21246	0.1
65.20469	0.1
67.01895	8.8
71.30614	0.1
85.02953	2.5
97.51553	0.1
98.21828	0.2
99.80034	0.1
99.80811	0.1
111.00890	100.0
112.01214	1.3
113.80741	0.1
118.84007	0.1
121.02964	2.6
129.01994	0.7
250.76656	0.1
429.15234	0.1
434.22281	0.1
461.04947	0.1
700.29810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77270	0.8
61.98834	100.0
71.20580	1.3
71.21022	0.6
71.49783	0.7
93.82569	0.7
100.92547	0.7
151.96069	0.9
189.76015	0.8
210.27017	0.7
221.72784	0.8
251.16994	0.7
259.40845	0.8
310.45560	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98828	5.3
70.65965	2.0
71.01347	2.2
88.14750	2.1
116.64625	1.9
132.32072	2.0
171.10298	2.3
187.74934	1.7
225.40083	1.8
252.63022	1.8
291.91861	1.9
367.90039	1.7
438.13318	6.2
454.64334	2.1
481.15247	33.0
482.15405	5.7
495.17200	10.6
497.18179	7.3
539.15631	2.2
540.16681	10.9
541.17163	2.7
554.18079	5.4
555.18903	57.9
556.19464	11.4
572.15564	10.0
586.17236	4.9
641.22589	29.9
642.22852	3.8
701.24780	61.5
701.42157	2.6
702.25067	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	701.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
58.00587	1.5
59.01383	100.0
69.54160	1.1
71.01386	47.4
72.99323	2.8
73.02951	3.4
79.60734	1.1
83.01393	1.5
85.02961	10.1
87.00889	4.4
89.02454	69.4
95.01393	2.8
97.02942	1.5
101.02451	29.3
108.02174	1.3
108.78606	1.3
111.00897	1.7
113.01709	0.9
113.02458	25.5
119.03519	31.7
120.01257	1.7
121.02924	1.6
125.42489	1.2
131.03540	3.3
133.02875	1.1
143.03488	7.2
145.03008	3.1
146.03775	2.3
149.04544	3.9
151.04053	1.1
161.02444	3.1
161.04539	7.1
162.01898	2.4
162.03244	25.8
163.03879	1.7
166.06339	3.7
177.05574	16.9
179.05637	25.5
180.04320	1.5
181.08777	2.0
219.06610	2.0
343.14276	4.8
444.83646	1.3
472.08548	1.4
491.19196	4.9
654.04309	1.6
665.29028	1.5
701.26642	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	701.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92141	0.4
59.01383	3.9
61.98838	0.9
67.01894	7.2
69.03468	0.5
69.22511	2.1
71.01389	2.9
73.02956	0.6
85.02962	4.9
89.02452	2.5
93.76468	0.4
101.02473	2.5
111.00892	100.0
112.01236	0.9
112.47092	0.4
113.02433	0.9
117.89662	0.4
119.03519	0.5
129.01929	2.0
161.04581	1.0
161.05948	0.5
179.05678	0.6
181.12436	0.6
197.11879	0.7
209.11996	0.4
247.20695	0.9
253.09300	8.2
273.18729	0.7
291.19644	6.5
309.20740	30.2
310.21143	1.3
315.23639	0.5
341.21399	0.5
347.22552	0.9
359.22275	5.3
401.74100	0.4
539.39612	0.4
545.29712	12.6
546.29907	0.7
595.31055	0.5
639.30219	1.0
657.31561	3.0
668.24445	0.5
699.44141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60260	0.7
57.03434	0.8
59.01388	7.1
61.98838	0.7
67.01896	5.3
69.09027	1.8
69.09446	3.1
71.01390	4.1
82.71445	0.7
83.01402	1.0
85.02959	55.8
89.02457	3.5
89.02966	0.6
101.02457	4.1
111.00892	100.0
112.01212	1.5
113.02457	2.4
119.03448	0.7
123.26777	0.6
129.01955	11.9
151.11241	1.2
153.12973	0.8
161.04625	1.5
179.10786	1.4
181.12401	1.3
197.11870	4.4
209.11850	0.9
230.31041	0.7
247.20619	1.1
253.09334	9.0
267.15909	1.0
273.18719	0.9
291.19684	13.8
309.20752	33.9
333.24353	1.0
336.31055	0.7
341.21161	0.8
359.22226	2.5
403.74585	0.8
545.29755	16.2
595.31421	1.1
657.20135	1.5
657.31281	24.6
658.31403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74169	0.4
59.01381	4.9
61.07651	0.4
61.98826	1.4
67.01897	8.1
71.01385	1.8
73.02953	0.7
83.01399	3.1
85.02959	8.2
87.00890	0.6
89.02444	1.6
101.02448	1.9
111.00893	100.0
112.01215	1.3
113.02454	1.1
119.03489	0.4
129.01971	5.0
154.99872	10.1
161.04564	0.8
181.12421	0.7
189.73041	0.4
207.13963	0.5
209.11832	1.5
241.14149	0.5
247.20712	1.1
249.11305	0.5
251.13133	0.5
253.09306	7.4
267.15921	0.5
291.19662	8.9
309.20728	19.7
310.20996	0.8
315.23294	1.7
331.84833	0.4
342.11115	0.5
359.22232	3.3
449.43030	0.4
545.29657	5.2
546.29730	0.5
588.52643	0.5
588.62952	0.5
595.31006	0.7
621.29224	0.5
626.78534	0.5
657.31262	3.8
701.29535	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	701.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79788	0.6
59.01379	6.4
61.98827	0.9
63.62440	0.7
67.01899	6.5
70.97179	0.7
71.01384	2.4
71.41177	0.6
81.77933	0.7
85.02959	73.8
86.03260	0.6
87.00895	0.8
89.02463	2.6
90.21327	0.6
99.00925	0.7
101.02460	3.5
109.15051	0.6
111.00894	100.0
112.01233	1.2
113.02489	0.8
119.03480	0.6
121.69558	0.6
129.01964	25.9
161.04567	1.1
165.12886	1.1
171.10275	1.1
171.45506	0.6
174.49698	0.7
181.12285	0.9
195.13835	0.8
201.11409	0.9
209.11914	0.9
211.13445	0.9
222.23329	0.7
225.11374	0.8
233.08192	0.7
235.08392	0.7
247.20740	0.9
253.09315	8.6
279.16132	1.4
291.19678	14.5
299.11609	0.6
309.20749	26.3
313.28754	0.6
315.23248	1.0
335.90762	0.7
359.22372	1.8
396.81638	0.7
410.44125	0.7
479.21692	0.7
542.16272	0.7
545.29785	14.7
545.38208	1.0
573.30579	0.8
657.31250	27.5
658.32092	1.8
701.34680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02724	0.3
53.05101	0.3
53.19310	0.3
59.01381	3.8
60.63258	0.3
61.98836	0.8
67.01900	7.0
71.01393	1.6
77.02771	0.3
82.95427	2.7
83.01383	0.6
85.02959	12.2
87.00927	0.3
89.02455	1.8
97.06535	0.3
98.21898	0.7
99.21405	0.2
101.02448	2.3
111.00891	100.0
112.01220	0.8
113.02446	1.0
113.91334	0.3
119.03503	0.4
120.35516	0.3
129.01958	8.0
134.98524	0.3
141.86276	0.3
154.99846	0.6
161.04568	0.9
165.12857	0.6
171.10368	0.4
175.07550	0.3
179.05746	0.4
181.12404	0.7
193.12415	0.4
195.13977	0.3
209.11858	0.4
211.13338	0.4
237.14926	0.4
240.13739	0.4
243.21004	0.3
247.20644	0.8
253.09326	7.1
273.18622	0.6
291.19666	8.0
309.20734	22.8
310.21085	0.6
315.23303	2.3
340.07098	0.3
359.22260	3.4
476.23117	0.3
545.29736	11.6
546.29785	0.7
595.31140	0.5
621.28485	0.3
639.30371	0.5
657.31213	4.2
658.31561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01382	8.5
60.71618	0.8
61.98834	2.1
64.66928	0.7
67.01899	4.2
69.96893	2.1
71.01396	3.9
74.22980	0.7
83.05039	0.9
85.02959	36.6
87.00903	1.1
89.02472	4.0
95.05063	1.0
97.02929	1.0
97.06616	0.7
98.22017	1.0
101.02473	4.1
104.26192	0.7
111.00894	100.0
112.01215	1.2
113.02482	1.5
119.03522	0.9
120.05901	0.7
123.08114	1.4
125.06070	1.1
125.09709	4.0
129.01947	5.2
153.02280	0.7
154.99890	1.3
161.04573	1.1
163.11264	1.0
165.12766	0.8
171.10268	1.6
189.12813	0.8
197.11908	0.8
201.11320	0.9
207.13953	1.5
209.11842	1.5
211.13449	0.9
247.20744	1.4
249.14934	3.9
253.09320	12.8
267.16022	3.2
291.19705	21.9
309.20728	36.0
310.21005	1.3
333.24347	2.6
333.97729	0.7
359.22290	2.3
377.23505	3.3
405.17886	1.1
500.76221	0.7
506.02277	0.8
527.28339	1.1
545.29980	1.9
613.32306	2.6
657.31427	20.2
658.32037	1.9
701.38660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65810	0.6
55.01876	0.9
57.03436	1.5
59.01382	11.3
61.98839	4.6
69.03462	5.3
71.01395	5.5
71.05030	2.7
71.45543	0.6
73.02962	1.3
83.05042	1.1
85.00436	0.6
85.02964	1.8
87.00887	1.3
89.02451	2.9
96.96015	1.4
97.02950	0.7
97.06590	1.5
101.02460	3.8
106.98618	0.6
113.02478	2.8
119.03516	0.8
121.02975	1.9
123.08204	2.1
125.09737	3.7
137.09683	0.8
151.11310	2.8
153.12888	2.7
161.04601	1.0
161.09721	3.1
179.10788	6.8
185.11925	0.8
197.11844	95.6
198.12158	2.4
201.95161	0.6
209.11859	2.9
223.09770	1.3
241.10841	6.0
250.06172	0.7
253.09468	1.6
407.11639	0.6
464.74277	0.7
477.19696	3.2
539.24976	1.7
557.30896	0.7
657.31738	3.4
701.30249	100.0
702.30438	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	701.3762
Annotation	10,11-Dihydro-chalcomycin
Peak:m/z	Relative Intensity
53.10022	0.7
57.03453	0.9
59.01380	8.4
61.98839	7.8
71.01408	3.9
72.33572	0.6
73.02937	1.4
85.02950	1.9
87.00880	1.8
89.02450	3.0
96.96050	0.7
97.06585	1.6
101.02444	3.6
102.28004	0.6
103.00395	0.8
103.21940	0.7
109.68070	0.9
111.00896	2.0
113.02448	2.0
119.03445	1.2
127.07696	0.8
134.03749	0.7
135.08107	0.8
139.07590	1.4
147.04492	0.9
149.06027	1.0
150.06876	26.4
151.07594	1.6
163.03963	0.9
163.07674	6.6
164.08427	5.1
167.03482	1.2
173.08173	1.8
175.04027	1.1
177.09248	1.3
178.10005	1.2
179.05627	1.4
179.10803	14.5
203.09227	1.6
211.13388	2.0
245.10344	1.2
255.03020	2.3
283.02454	2.8
284.03165	2.1
292.20731	0.9
315.18420	0.8
317.21341	7.3
320.19925	1.9
329.19745	3.0
335.22287	3.6
359.20868	1.1
364.22531	1.5
457.29648	1.3
476.17828	0.9
479.26807	1.2
491.30029	1.0
492.30966	1.0
493.31729	2.7
497.27618	28.9
498.27698	2.2
509.31241	10.6
538.31506	1.9
539.28284	44.7
540.28564	3.7
597.32800	1.2
663.15509	1.7
663.35760	0.9
664.15289	0.9
701.27423	3.7
701.37579	100.0
702.38263	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	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70026	0.7
57.03448	4.2
59.01385	7.3
61.98833	10.7
67.74459	0.8
69.03445	1.1
69.31667	2.1
69.32060	1.6
71.01389	4.8
71.05046	0.8
73.02931	2.8
75.00879	1.7
75.99126	0.8
76.78397	0.8
81.03449	1.0
83.01408	1.2
83.05003	2.2
85.02950	2.3
87.00883	3.0
87.04521	1.5
89.02443	3.6
93.03462	1.3
95.05038	1.3
97.06599	10.4
99.04531	3.7
101.02422	2.4
109.06593	13.8
111.00898	5.3
111.04494	3.0
111.08157	3.3
113.02468	1.9
113.09724	1.4
116.29642	0.8
116.92816	1.0
119.03468	0.8
119.04980	1.1
121.02956	2.2
123.08173	27.8
125.02438	1.0
125.06115	0.8
125.09698	1.1
127.07696	0.9
134.03772	1.0
135.08183	13.8
138.06891	6.6
141.09225	10.1
149.06061	1.5
150.06871	26.4
150.98206	0.9
151.04050	0.9
151.07625	1.3
153.09224	28.8
160.01558	0.9
160.03970	1.0
161.04619	1.0
163.03996	1.2
163.07689	4.9
164.08429	2.8
165.05551	1.1
173.08192	3.1
175.04076	1.0
177.09120	0.9
178.10033	1.6
179.10822	12.9
187.09773	74.8
188.10068	1.5
191.05692	0.9
199.09734	0.9
211.13428	1.6
217.10828	71.8
255.03133	5.2
256.03400	0.8
283.02509	10.8
284.03006	2.5
285.03909	1.6
320.20187	1.0
321.20764	2.3
336.19379	4.2
337.65475	0.8
350.20987	2.8
351.21826	13.4
365.23480	1.7
426.34219	0.8
439.28513	1.1
446.08365	2.2
497.27719	2.3
501.10355	1.0
521.31635	3.8
539.31537	1.4
655.39252	1.0
663.15863	6.6
665.16211	2.3
683.36749	5.0
701.37610	100.0
702.27069	1.3
702.37732	6.3
708.18579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06150	0.7
57.03459	1.8
59.01390	6.7
61.98838	23.7
70.39924	1.4
71.01390	3.8
73.02938	1.3
83.05045	1.2
85.02946	1.2
86.67495	0.7
87.00875	3.8
88.98817	2.0
89.02454	3.0
93.03482	1.5
95.05025	0.9
96.96013	0.8
97.06600	3.6
99.04539	1.4
101.02451	2.7
109.06603	8.1
110.78770	0.7
111.00870	4.1
111.04530	2.0
111.08168	2.0
113.02492	1.1
119.03538	0.8
121.02975	1.1
122.03731	0.7
123.08175	10.3
125.09746	1.8
127.07695	0.8
134.03792	1.1
135.08195	7.4
136.05275	0.8
137.06041	0.9
137.09776	0.7
138.06868	4.3
139.07640	0.9
140.39867	0.7
141.09186	3.2
147.04527	1.0
148.05263	0.8
149.06113	1.3
150.06873	22.5
151.03993	0.9
151.07695	1.0
152.01099	0.8
153.01915	0.8
153.09229	19.1
154.09827	0.6
160.01657	3.1
160.04022	1.1
162.06935	1.3
163.07648	5.3
164.08443	3.5
165.05566	1.0
167.03505	1.2
175.04021	4.5
177.09216	1.1
178.09991	1.6
179.10782	12.6
187.09778	21.6
193.05084	1.5
211.13437	1.7
211.98381	0.7
217.10825	40.1
221.11847	0.8
249.98439	0.8
284.82748	0.7
306.18469	0.9
320.20029	1.2
321.20718	2.2
336.19559	1.7
341.19775	1.3
350.21048	1.0
351.21671	4.1
365.22934	0.9
399.12976	10.7
400.13211	1.2
439.28409	1.7
475.30606	0.7
478.07956	1.5
497.27643	2.4
503.30029	1.2
520.30054	1.2
521.31329	10.0
522.31799	1.2
533.97522	0.7
539.32593	1.6
643.36151	0.7
665.36969	1.0
683.36285	7.7
683.95392	0.8
701.27271	4.2
701.37598	100.0
702.27008	1.3
702.38019	7.6
723.82593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26373	1.2
58.00611	1.3
59.01385	53.5
61.23154	1.2
61.70551	1.2
61.98863	1.2
67.01888	1.2
69.27882	7.7
71.01389	26.0
72.99302	1.6
83.01369	1.4
85.02960	5.5
89.02460	22.1
95.01389	2.7
98.22569	2.1
99.00893	2.0
101.02447	15.5
105.10657	1.2
106.06625	4.7
107.58488	1.2
110.74361	1.3
111.00883	2.6
112.04067	2.5
113.02448	6.4
116.05091	6.0
119.03526	6.8
122.06151	2.8
123.03304	2.8
124.04053	3.0
131.03625	1.7
132.04552	5.0
132.18581	1.2
134.06131	56.6
135.06477	2.1
138.05623	14.3
152.07181	4.8
158.02434	3.1
160.04041	26.9
161.04474	2.4
164.07162	4.9
172.04077	1.8
184.06148	2.2
190.05109	14.5
192.06680	91.6
193.07014	2.7
204.06621	6.1
218.08157	1.4
242.73595	1.3
255.11385	3.4
256.09824	1.5
267.11337	2.0
281.09326	3.6
305.36481	1.2
307.10843	7.2
309.08511	1.6
311.14084	2.8
314.12537	7.7
337.11884	1.9
339.13504	28.7
348.12430	1.4
377.50049	1.7
393.88770	1.3
487.17236	29.1
514.65027	1.5
517.18304	5.9
519.19910	100.0
520.20313	7.9
582.24420	1.8
608.22900	6.3
626.23602	25.5
627.22968	4.1
640.25031	2.9
652.21625	2.9
658.26154	1.9
670.22601	28.8
671.22430	2.4
684.23737	8.2
702.25171	44.6
703.25543	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	702.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
59.01384	63.1
61.98818	3.6
69.61179	1.7
69.61575	2.3
71.01387	29.5
73.02941	1.8
83.01369	2.5
85.02965	6.5
87.00851	2.2
87.20299	1.0
89.02454	26.2
92.05080	1.2
95.01389	1.7
99.00918	1.2
101.02444	17.0
104.05030	1.4
106.06624	4.3
111.00875	2.9
112.04041	2.2
113.02446	9.5
114.05636	1.2
116.05074	7.1
119.03507	7.9
122.06136	4.0
123.03300	5.9
124.04018	4.3
130.02924	1.0
131.03656	1.0
132.04544	5.8
134.06133	71.1
135.06458	1.2
138.05627	13.8
143.03517	1.2
146.06122	1.4
152.07185	8.3
155.45821	1.0
156.06650	1.7
158.02519	5.0
160.04048	32.5
161.04527	1.2
162.05647	1.0
164.07164	4.6
166.05032	1.6
172.04105	3.0
175.03966	1.1
178.05066	1.3
179.05594	1.1
184.06128	2.6
190.05116	17.0
192.06679	92.1
193.06897	3.0
204.06679	6.9
215.08372	0.9
255.11411	5.8
262.10825	1.3
267.11325	1.9
279.11407	1.7
281.09259	8.7
293.09332	3.4
305.09457	1.8
307.10880	9.1
309.08981	1.3
311.13962	3.2
314.12360	6.4
323.22430	1.0
337.11890	2.7
339.09592	2.0
339.13504	30.3
340.13754	2.0
360.88162	1.0
394.33920	1.2
460.30038	1.2
477.49121	1.1
487.17264	48.3
488.17386	4.3
517.18280	9.0
519.19873	100.0
520.20288	9.8
582.25146	5.6
608.22559	9.4
626.13617	2.2
626.23627	38.9
627.23242	5.5
630.23590	1.6
640.25250	3.8
652.21326	4.0
670.22601	25.8
671.22583	1.8
684.24237	11.5
702.25134	35.4
702.37854	1.4
703.25616	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	702.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06171	0.1
59.07560	0.1
61.98836	100.0
63.11792	0.1
92.01434	0.2
93.99100	0.2
117.68062	0.2
126.18297	0.2
171.10274	0.3
172.10741	0.2
180.30823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29897	0.8
59.01390	5.8
60.01280	0.7
61.43557	0.7
61.98824	1.2
63.02417	0.8
69.93530	1.8
71.01382	2.3
82.03005	1.0
85.02937	1.0
87.00868	0.7
89.02448	2.5
91.75047	0.8
98.22560	0.9
101.02466	1.6
106.31852	0.7
107.01430	1.0
119.03502	0.8
119.62921	0.8
121.02982	0.9
151.00389	2.8
158.03877	0.8
166.06349	0.9
175.00278	0.8
178.99940	0.8
179.05594	1.3
191.03970	0.7
191.05614	4.0
199.04010	2.4
205.05067	1.0
215.03505	1.6
227.03560	2.1
243.02968	3.8
248.09528	0.7
255.03046	2.1
270.01849	0.9
271.02496	48.9
272.02777	2.2
284.95624	0.8
299.01990	100.0
300.02545	8.7
301.03586	5.6
313.03149	1.0
321.15430	1.4
374.98843	0.9
403.77121	1.0
404.07886	1.0
461.07318	1.5
462.08057	25.4
463.08368	2.0
503.08231	1.1
505.09497	4.0
536.79388	0.8
556.48047	0.9
561.07391	1.0
607.13452	1.8
667.15253	73.3
668.15521	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	703.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65805	9.5
59.01391	56.5
61.98832	40.5
65.23577	11.9
65.64936	8.9
69.58141	17.9
69.58487	39.1
70.56100	10.3
71.01405	14.1
77.78803	11.2
88.98832	9.9
89.02442	15.5
93.03466	23.5
95.65125	11.4
95.85880	11.0
98.22625	16.8
104.70300	10.4
111.00897	14.8
121.02972	100.0
137.02477	24.6
150.06772	10.4
153.01997	16.0
153.09218	8.8
399.13126	15.9
419.05542	11.3
459.90857	9.7
464.01529	10.9
561.91223	11.1
578.30530	11.0
702.38196	23.2
703.38208	52.5
704.29095	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	703.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67254	5.3
59.01385	100.0
61.98837	80.5
62.70053	4.6
66.62817	5.2
69.19407	21.1
69.19806	11.8
71.01385	29.1
73.02945	12.7
75.34224	4.9
77.15587	4.9
83.01402	9.5
83.05028	7.8
85.02961	15.2
85.66998	5.1
87.00877	8.0
88.98827	5.4
89.02464	22.9
95.01430	6.0
96.96033	12.5
99.00891	5.8
101.02447	18.2
113.02456	18.4
116.92863	7.6
118.99428	6.0
119.03507	8.2
121.02953	9.4
125.02401	6.6
127.04011	8.1
139.04045	7.4
161.04602	8.5
171.10292	7.3
175.15805	6.2
176.07944	5.4
179.05562	7.0
197.11865	16.0
207.10170	6.2
225.11369	6.0
271.02475	7.4
319.22815	49.0
667.39258	49.2
685.30151	10.8
703.39063	23.8
715.68188	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	703.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03431	1.7
59.01386	9.4
61.98835	5.1
69.03450	2.0
69.87072	1.8
69.87420	2.5
71.01398	5.7
71.05022	3.1
73.02973	1.3
83.05053	1.3
85.02967	2.5
87.00875	1.4
89.02454	3.0
97.02942	2.6
97.06618	2.2
99.00891	13.0
101.02466	4.5
101.03585	1.0
113.02496	1.0
123.08172	1.8
125.09715	6.9
151.11230	1.3
153.12930	1.3
161.09766	1.9
163.11311	6.9
179.10800	2.9
181.12358	10.0
197.11861	38.3
198.12236	2.3
199.13449	5.5
207.10278	17.4
209.11794	1.2
225.11354	22.8
226.11786	1.8
241.10780	4.5
243.12375	11.1
354.40433	1.0
461.20367	1.1
477.19693	1.9
479.21304	3.0
522.14563	1.0
659.32819	2.4
667.39496	1.5
685.30933	2.2
703.31854	100.0
704.32349	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	16.2
61.98841	11.4
67.01889	4.2
67.67348	1.4
71.01394	8.1
72.99292	1.3
79.27037	1.3
80.02673	4.2
81.03474	3.6
83.01407	2.1
83.05033	7.2
85.02959	5.8
87.00907	2.6
89.02447	4.1
93.03468	2.1
95.05038	2.1
95.82494	1.4
96.96011	3.6
97.02959	6.0
101.02428	7.5
109.06612	27.6
110.03777	2.5
111.00897	47.4
111.01669	2.4
112.01237	9.8
113.01354	4.6
113.02445	2.0
121.06606	3.5
124.46491	1.5
125.09731	1.9
135.08170	4.1
147.33887	1.6
161.09698	1.8
163.11330	19.5
165.12823	2.5
171.10342	3.5
181.12344	5.1
189.09236	2.4
207.10284	65.5
208.10532	2.2
209.11862	100.0
210.12088	2.8
225.11348	32.2
227.12915	16.3
235.08345	3.2
253.09296	14.7
291.19586	3.4
292.19992	2.9
309.20697	5.7
310.21051	5.2
311.21329	3.5
399.21652	4.1
417.22827	4.4
426.37677	1.6
443.19128	3.1
461.20270	12.1
635.30670	17.0
653.31738	16.4
659.31964	2.7
671.32819	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	703.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08812	39.1
58.41762	42.5
71.29762	50.6
95.15336	45.1
112.15887	48.9
120.89514	43.9
126.89323	43.1
171.10294	100.0
174.07791	44.2
177.88760	45.7
277.21863	96.5
277.25806	57.4
487.16812	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29536	100.0
81.64977	56.4
92.23695	67.1
100.37300	56.7
118.07513	56.9
142.61395	58.9
142.63678	56.7
438.78714	71.8
473.51077	66.8
483.68661	63.1
544.74780	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	703.407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01846	7.5
57.03453	6.9
58.79149	6.9
59.01402	9.0
61.98835	52.6
71.01386	15.2
72.02204	8.0
83.05032	15.0
95.05025	9.1
97.02950	6.8
97.06600	24.0
105.52429	7.1
107.05048	19.8
109.02996	7.9
109.06613	9.1
110.68042	6.6
113.06111	27.3
114.10615	6.7
117.85909	6.4
120.13870	6.5
123.08183	18.8
125.06066	19.7
125.09715	72.1
125.32458	6.6
127.07692	25.4
135.04546	8.8
135.08217	10.5
139.07713	26.8
141.09244	9.1
141.62024	7.5
143.07187	27.6
151.07697	21.1
153.09291	17.0
163.11356	14.3
167.80942	6.3
169.56175	6.7
171.10300	15.7
177.05557	44.3
183.50172	6.3
185.11850	34.8
187.09845	12.6
191.10732	7.6
197.11888	19.5
207.10292	19.1
209.11818	100.0
221.11876	11.1
223.13339	8.7
225.11308	11.6
251.12819	18.9
277.17969	10.1
287.16537	9.0
303.16034	29.9
305.17581	54.4
307.19150	16.6
321.17065	26.9
323.18710	16.8
361.20508	9.1
379.21252	13.6
395.20969	9.5
435.24051	36.8
447.24030	26.7
463.23077	10.4
465.24872	10.9
500.55142	7.1
543.29700	36.1
559.32990	30.5
561.30780	24.4
571.32721	11.4
575.32410	95.4
587.32233	20.1
605.33398	23.3
616.32483	19.8
667.38245	27.3
685.39160	37.7
703.40479	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	704.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
59.67307	0.3
60.01713	0.4
61.98836	100.0
73.51434	0.2
98.21768	0.4
116.30441	0.2
147.88780	0.3
166.81342	0.3
184.79581	0.2
275.17343	0.3
483.15817	0.9
484.15671	1.2
491.83929	0.3
497.17383	0.4
498.17422	0.6
542.17108	0.5
543.17249	0.4
556.19122	0.6
557.18573	1.2
558.18945	2.2
563.71478	0.3
575.15833	0.5
644.22742	1.4
703.25159	0.5
704.24817	4.1
705.24451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00512	0.6
59.01385	26.7
61.98830	1.7
71.01386	2.5
73.02956	1.8
78.95920	1.0
83.01406	0.6
85.02953	0.8
87.00875	0.8
89.02463	1.6
92.02692	5.3
93.03468	64.7
94.03850	1.0
95.01385	2.2
95.73949	0.5
101.02470	0.8
102.05611	1.4
108.02193	3.4
109.03014	0.7
117.03493	1.1
120.02206	1.1
121.02960	3.1
124.01676	1.1
128.03557	3.2
135.04544	0.8
136.01683	6.2
137.02460	100.0
138.02811	1.8
146.04613	0.7
149.02536	0.7
183.04495	1.1
197.06140	0.6
201.05630	0.8
204.59818	0.5
211.04120	0.7
214.08780	0.5
255.03041	8.4
283.02515	14.3
285.04123	1.7
416.20908	0.7
432.20291	0.6
438.19138	1.8
446.08133	0.8
458.18140	3.7
488.09613	5.2
498.21527	2.5
501.10477	0.6
527.19116	3.2
531.28156	1.4
550.24805	1.1
572.25934	0.8
582.26862	1.5
584.24884	6.7
644.27148	37.6
645.27405	3.8
660.32581	5.7
661.32678	1.0
662.28046	4.9
704.29236	59.3
705.16815	3.8
705.29657	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	704.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97768	0.7
59.01382	8.6
61.98836	13.3
67.01872	1.1
69.18742	3.4
71.01388	100.0
72.01701	1.4
72.99316	17.8
73.02953	1.3
74.82275	0.6
81.15446	0.7
85.02951	1.8
87.00842	0.8
89.02463	2.0
93.03449	0.7
96.99342	1.0
99.00868	1.3
101.02441	2.1
111.00886	12.2
112.01235	4.7
113.01332	2.8
113.02454	1.2
114.01671	0.7
115.00381	17.1
121.02969	89.2
122.03293	1.7
133.01479	2.5
133.74437	0.7
134.03754	2.0
145.02922	1.0
149.02419	0.8
150.03323	0.7
151.04214	0.6
153.32834	0.6
156.69925	0.6
160.01709	1.2
160.04076	1.5
161.04474	0.7
163.03999	0.7
164.03520	1.3
164.04834	0.6
175.04059	1.4
205.05029	1.2
235.06137	1.2
267.94946	0.6
300.02924	0.7
350.20154	0.8
448.23294	1.1
461.59787	0.7
464.22940	0.8
466.24493	2.7
585.50989	0.7
588.28143	1.0
606.29535	1.2
645.35052	1.9
686.28259	19.4
687.28625	3.7
704.27985	2.7
705.29932	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	704.293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97768	0.7
59.01382	8.6
61.98836	13.3
67.01872	1.1
69.18742	3.4
71.01388	100.0
72.01701	1.4
72.99316	17.8
73.02953	1.3
74.82275	0.6
81.15446	0.7
85.02951	1.8
87.00842	0.8
89.02463	2.0
93.03449	0.7
96.99342	1.0
99.00868	1.3
101.02441	2.1
111.00886	12.2
112.01235	4.7
113.01332	2.8
113.02454	1.2
114.01671	0.7
115.00381	17.1
121.02969	89.2
122.03293	1.7
133.01479	2.5
133.74437	0.7
134.03754	2.0
145.02922	1.0
149.02419	0.8
150.03323	0.7
151.04214	0.6
153.32834	0.6
156.69925	0.6
160.01709	1.2
160.04076	1.5
161.04474	0.7
163.03999	0.7
164.03520	1.3
164.04834	0.6
175.04059	1.4
205.05029	1.2
235.06137	1.2
267.94946	0.6
300.02924	0.7
350.20154	0.8
448.23294	1.1
461.59787	0.7
464.22940	0.8
466.24493	2.7
585.50989	0.7
588.28143	1.0
606.29535	1.2
645.35052	1.9
686.28259	19.4
687.28625	3.7
704.27985	2.7
705.29932	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	704.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41135	0.3
57.46316	0.4
58.99176	0.3
59.01383	100.0
60.01717	0.8
61.98837	6.8
67.95812	0.3
70.86121	0.3
71.01386	1.4
72.99315	0.4
73.02950	0.6
73.72579	0.3
83.01406	0.4
85.02951	0.6
88.98788	0.4
89.02415	0.7
93.03465	1.7
96.96061	0.6
101.02486	1.1
111.00900	0.6
111.85458	0.3
113.02465	1.0
116.92916	0.4
117.03510	0.6
119.05060	0.3
121.02949	2.3
135.04495	0.3
137.02449	2.0
151.00372	0.5
156.17215	0.3
159.04594	0.4
175.04012	0.4
178.06441	0.3
183.04514	0.5
193.05035	0.5
205.05122	0.5
211.04016	0.9
227.03563	1.4
255.02989	13.8
283.02496	29.7
284.03226	0.8
285.04059	3.7
306.07681	0.6
416.07489	9.1
458.08444	2.2
488.09976	1.2
531.11694	0.7
534.45795	0.4
573.12469	2.0
615.14282	0.4
638.65222	0.4
644.27319	0.9
663.16095	0.6
704.30115	1.2
705.16742	6.4
705.37653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83186	0.2
59.01387	1.7
63.02393	0.4
65.00051	0.2
65.00352	0.6
67.50685	0.2
69.15217	1.3
69.15519	0.2
78.76378	0.2
83.01435	0.2
93.03485	0.7
107.01409	0.8
113.48089	0.2
117.03469	1.3
132.02209	0.2
141.03532	0.3
151.00377	1.6
152.55704	0.2
155.05020	0.8
159.04497	0.9
167.05031	0.3
168.14670	0.2
171.04556	0.4
173.06033	0.2
177.65134	0.2
182.03743	0.7
183.04530	4.5
184.04933	0.3
185.02492	0.5
199.04083	0.3
205.55811	0.2
211.04022	3.3
215.03709	0.2
226.02658	0.3
227.03499	3.1
255.03003	47.8
256.03360	2.5
283.02493	100.0
284.02930	7.5
285.04031	2.9
381.06229	0.4
445.07742	1.2
446.08566	43.5
447.08966	3.7
483.09479	0.3
500.09802	1.8
501.10358	1.6
543.11456	4.5
544.12103	0.4
585.12433	0.4
603.13324	0.4
609.53302	0.2
645.14551	0.6
654.34698	0.2
663.16174	0.4
705.16779	26.1
706.17090	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	705.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27386	0.3
59.01382	5.5
60.39369	0.3
61.98839	2.0
63.02403	0.7
69.27234	1.6
71.01381	1.9
73.02953	0.5
83.01426	0.3
85.02949	0.8
88.98833	0.4
89.02444	0.7
93.03499	0.5
101.02464	1.3
107.01378	0.6
109.02954	0.3
111.00907	1.3
113.02471	0.4
117.03506	1.3
118.09003	0.3
121.02968	0.4
141.03481	0.4
151.00327	1.7
155.05013	0.5
159.04523	1.0
160.04045	1.2
167.05037	0.4
173.06110	0.4
174.01665	0.3
183.04520	3.9
187.04015	0.6
211.04056	2.6
227.03474	4.1
255.03008	46.9
256.03336	2.1
283.02499	100.0
284.03018	7.5
285.04059	11.3
286.04370	0.4
335.22086	0.4
415.06793	1.1
416.07526	40.5
417.07999	3.0
458.08353	0.4
471.09015	0.5
497.27994	0.7
513.10437	1.0
531.11359	0.7
573.12482	8.5
574.12787	0.6
603.13147	0.4
645.14722	1.1
645.34943	0.7
663.15497	2.4
687.30188	0.4
705.16803	27.7
705.27930	1.0
706.17407	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	705.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98832	0.4
63.02413	1.1
65.00336	0.6
69.38842	0.4
83.01402	0.6
85.53759	0.3
93.03475	0.7
98.22605	1.1
107.01411	1.8
117.03464	1.3
130.84984	0.4
132.02144	0.5
151.00366	5.0
157.52039	0.4
159.04601	0.7
163.00438	0.5
164.01138	0.7
167.04990	0.4
171.04544	0.4
182.03690	0.5
183.04521	4.4
185.02452	0.7
187.04004	0.8
197.02515	0.5
210.03233	0.4
211.03981	3.7
213.01958	0.5
226.02692	0.6
227.03500	3.4
239.03503	0.8
254.02185	0.4
255.03001	53.6
256.03445	3.3
267.02902	0.6
268.03766	0.7
269.04385	0.6
281.04605	0.8
282.01855	0.6
283.02493	100.0
284.03207	26.1
285.03934	5.2
297.03989	0.8
309.04178	0.5
321.04120	0.7
322.04706	0.4
334.04898	0.5
335.05630	0.6
351.04922	0.5
380.05481	1.4
381.06122	7.8
382.06735	0.9
423.07220	0.6
441.08585	2.3
446.08557	13.5
447.09250	5.5
483.09119	1.8
499.08511	0.5
501.10239	1.2
543.11456	22.3
544.11914	2.2
603.13361	4.5
604.14063	0.6
705.16785	47.5
706.17065	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	705.1677
Annotation	Kaempferol 3-[2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01385	5.6
61.98831	1.1
65.00325	0.6
71.01371	1.1
78.95925	0.5
81.90800	0.3
85.02959	0.4
85.89616	0.4
89.02435	0.7
93.03474	2.8
94.03841	0.5
101.02475	0.6
107.01373	0.7
111.00873	0.6
117.03476	1.1
137.02448	1.8
151.00374	2.7
154.53064	0.3
155.04985	0.6
159.04520	1.1
168.14455	0.4
171.04509	0.7
173.02582	0.3
181.79279	0.4
183.04547	4.5
185.02431	0.7
185.06090	0.6
187.04153	0.7
211.03984	3.5
226.02725	0.5
227.03505	3.1
228.04094	0.4
255.02992	50.2
256.03409	2.5
257.04578	0.4
262.49744	0.5
283.02493	100.0
284.02972	6.5
285.04068	19.3
285.07339	0.7
286.04449	0.9
416.07523	5.8
417.07980	0.6
429.08237	0.9
438.56201	0.4
457.07773	2.4
458.08563	40.2
459.09265	14.9
460.09827	0.9
471.09439	1.0
489.09866	0.4
531.11395	2.3
573.12366	1.1
644.26324	0.5
645.14709	2.6
645.26416	0.8
661.30664	0.5
663.15601	0.5
705.16858	20.4
705.29388	1.9
706.17090	3.1
718.35724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13015	0.3
57.10552	0.3
59.01386	5.6
61.98842	1.5
63.02408	0.4
65.00338	0.5
68.14628	0.3
69.03445	0.3
71.01393	1.6
83.01408	0.4
83.48197	0.3
89.02431	0.7
93.03471	0.6
95.01422	0.3
97.02987	0.4
99.00869	0.5
101.02455	0.7
107.01414	0.7
113.02464	0.4
115.09959	0.3
117.03470	1.3
125.09716	0.6
135.00877	0.3
151.00391	1.2
153.12801	0.4
155.05045	0.5
159.04535	0.8
161.04515	0.3
163.11226	0.5
171.04509	0.5
171.10381	0.3
179.10736	0.9
181.12331	0.4
182.03767	0.4
183.04530	4.9
185.02457	0.5
187.04088	0.4
197.11861	7.1
199.03949	0.3
199.13495	0.3
201.11336	2.7
207.10332	0.8
209.11867	3.9
211.04015	3.0
225.11388	1.0
226.02679	0.4
227.03542	3.2
227.12798	0.4
239.03525	0.4
241.10831	0.4
241.23465	0.3
243.12355	0.7
253.09331	0.6
255.03012	45.7
256.03387	2.4
283.02505	100.0
284.02951	6.3
285.04132	3.6
380.66309	0.3
445.08200	0.6
446.08575	33.4
447.08939	2.2
488.09549	1.8
543.11395	5.3
544.12189	0.4
661.30347	2.0
667.39832	0.7
669.41132	0.8
687.32513	5.7
705.16968	28.5
705.33728	6.3
706.16919	3.0
711.30243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81012	0.9
55.01868	1.5
57.03433	1.5
59.01386	100.0
61.98832	7.2
69.03447	2.5
71.01389	29.9
72.01697	1.1
72.99291	3.0
73.02953	12.0
73.50081	1.1
74.08737	0.8
75.00886	1.8
81.03458	1.4
82.95431	3.3
83.01350	2.2
83.05089	1.1
85.02963	9.0
87.00879	1.4
87.04501	1.1
89.02456	13.9
95.01394	1.8
96.95998	2.0
97.02933	1.6
99.00890	11.2
99.04504	1.3
101.02462	15.9
104.52250	0.9
108.02174	2.6
109.02950	4.2
111.00897	7.7
113.02462	6.5
115.00381	1.6
115.03986	1.1
119.03497	2.7
121.02960	9.0
122.03300	1.5
122.06137	1.6
125.02467	2.6
131.03531	2.6
133.06618	7.0
135.04518	1.6
136.07648	1.3
145.91066	1.2
149.04579	2.2
150.03253	1.6
150.05664	1.4
152.01140	4.0
153.01915	3.9
160.03999	1.3
161.02438	1.9
161.04558	3.6
161.13326	1.2
162.03241	8.1
165.01854	1.1
167.03476	6.5
175.03995	1.8
177.05562	3.2
179.05679	1.4
187.11212	1.1
191.05634	2.7
193.05081	1.5
195.06557	1.9
199.69870	1.0
229.09821	1.8
230.11751	1.3
255.03134	1.1
273.12421	1.9
283.02353	2.7
309.07721	1.1
317.11499	1.9
335.12521	10.6
335.63101	1.2
336.66943	1.1
351.11963	1.1
357.13306	1.8
399.14157	5.0
480.73636	1.1
481.18457	3.2
483.28799	1.2
543.24597	1.8
569.72589	1.1
627.26801	1.5
645.34918	16.1
687.28754	18.5
688.29413	1.6
705.29755	96.2
706.29376	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	705.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81012	0.9
55.01868	1.5
57.03433	1.5
59.01386	100.0
61.98832	7.2
69.03447	2.5
71.01389	29.9
72.01697	1.1
72.99291	3.0
73.02953	12.0
73.50081	1.1
74.08737	0.8
75.00886	1.8
81.03458	1.4
82.95431	3.3
83.01350	2.2
83.05089	1.1
85.02963	9.0
87.00879	1.4
87.04501	1.1
89.02456	13.9
95.01394	1.8
96.95998	2.0
97.02933	1.6
99.00890	11.2
99.04504	1.3
101.02462	15.9
104.52250	0.9
108.02174	2.6
109.02950	4.2
111.00897	7.7
113.02462	6.5
115.00381	1.6
115.03986	1.1
119.03497	2.7
121.02960	9.0
122.03300	1.5
122.06137	1.6
125.02467	2.6
131.03531	2.6
133.06618	7.0
135.04518	1.6
136.07648	1.3
145.91066	1.2
149.04579	2.2
150.03253	1.6
150.05664	1.4
152.01140	4.0
153.01915	3.9
160.03999	1.3
161.02438	1.9
161.04558	3.6
161.13326	1.2
162.03241	8.1
165.01854	1.1
167.03476	6.5
175.03995	1.8
177.05562	3.2
179.05679	1.4
187.11212	1.1
191.05634	2.7
193.05081	1.5
195.06557	1.9
199.69870	1.0
229.09821	1.8
230.11751	1.3
255.03134	1.1
273.12421	1.9
283.02353	2.7
309.07721	1.1
317.11499	1.9
335.12521	10.6
335.63101	1.2
336.66943	1.1
351.11963	1.1
357.13306	1.8
399.14157	5.0
480.73636	1.1
481.18457	3.2
483.28799	1.2
543.24597	1.8
569.72589	1.1
627.26801	1.5
645.34918	16.1
687.28754	18.5
688.29413	1.6
705.29755	96.2
706.29376	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	705.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28944	0.6
57.03455	1.1
59.01111	1.2
59.01382	8.7
65.00335	1.6
71.01385	5.6
73.02964	2.0
74.10981	0.6
85.02950	2.1
87.00902	0.9
89.02460	12.0
91.01900	13.5
93.03442	1.5
94.29709	0.7
96.96025	2.2
99.00885	1.5
101.02455	4.3
108.02185	13.0
111.00908	1.6
113.02447	1.2
121.02970	2.4
123.04539	35.1
131.03525	2.7
134.03746	1.1
135.04529	2.5
149.04575	8.3
149.09755	3.4
152.01175	17.6
153.01573	0.9
167.03514	100.0
167.10796	2.9
168.03787	2.2
191.05634	9.8
193.05086	2.1
293.08755	0.8
315.10895	2.0
452.27148	0.7
471.54770	0.9
537.25488	21.8
538.26160	1.3
562.76062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39483	0.9
56.72858	0.7
57.03438	1.6
59.01384	35.1
61.98838	5.4
69.03458	1.1
69.86980	2.7
71.01392	5.3
71.05023	2.6
77.68391	0.8
79.51880	0.8
80.02663	1.2
80.22409	0.9
83.01350	0.8
83.05041	1.4
85.02946	1.1
89.02462	3.2
95.91651	0.8
97.02959	3.8
97.06605	2.8
98.21024	0.9
98.21873	1.0
99.00897	17.1
101.02466	5.2
107.01406	1.0
108.01362	0.8
109.06606	1.3
110.48335	0.8
111.00932	0.9
113.02452	1.8
121.02958	1.8
123.08160	2.1
125.02405	0.9
125.09727	8.1
135.08200	0.9
136.05363	1.0
145.10211	1.0
151.00375	2.6
158.91933	0.8
161.04602	1.2
161.09697	1.1
163.11320	7.9
167.78192	1.0
179.05684	0.9
179.10759	2.0
181.12363	17.5
182.03720	0.9
183.04500	5.0
197.11855	9.8
199.13414	10.2
201.11360	4.8
207.08328	1.2
207.10294	29.4
209.11871	7.3
211.04034	2.7
225.11346	40.4
227.03563	4.4
243.10007	1.7
243.12399	23.5
244.12782	1.0
244.77869	0.9
253.09430	0.8
255.03023	41.5
256.03348	3.2
283.02518	79.7
284.03030	8.3
285.04080	16.3
286.04562	1.3
317.15939	2.0
338.73401	0.9
339.63376	0.9
416.07568	1.1
458.08774	8.6
459.09027	2.0
479.21500	7.9
488.09546	4.2
489.10608	2.0
500.09668	11.1
501.10336	9.0
531.11499	2.5
543.28406	1.5
645.14020	1.3
661.31097	1.4
667.39258	1.7
669.40143	1.3
687.32477	9.7
688.33081	1.4
705.16888	22.9
705.33392	100.0
706.16553	4.3
706.33777	9.5
739.29083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26714	1.6
54.28553	1.5
59.01386	19.3
61.98834	22.9
63.44727	1.4
69.18094	5.8
69.18524	4.1
71.01398	10.3
73.02939	3.5
78.24642	1.5
81.03442	1.8
83.05032	5.1
83.41933	1.4
85.02962	2.8
87.00858	3.3
89.02449	6.0
98.22710	2.6
101.02460	6.4
111.00820	1.6
113.02509	3.1
116.92854	2.3
116.99059	2.0
163.11317	3.7
165.12849	2.5
171.10237	3.0
184.64864	1.5
191.10928	1.6
209.11850	100.0
210.12186	3.7
214.11302	1.6
227.12898	15.9
230.14722	1.5
235.08281	3.7
245.19057	2.1
253.09331	9.1
255.02994	6.8
282.99823	2.1
283.02457	12.1
284.03149	1.8
289.18073	5.4
307.19138	9.0
308.94815	1.6
330.98959	1.6
351.23135	1.6
397.13492	2.5
415.14456	2.5
445.20856	2.3
446.08600	3.2
495.30905	1.9
505.33795	3.3
705.16455	3.8
705.33936	6.8
718.83917	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	705.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03450	1.6
58.00594	0.8
59.01385	100.0
60.01715	0.8
61.93688	0.5
65.94038	0.6
69.34869	3.3
71.01389	43.3
71.82037	0.6
72.99323	1.5
73.02948	3.5
83.01395	3.1
85.02965	10.0
87.00890	2.2
89.02456	50.6
92.45691	0.6
95.01389	2.9
95.19093	0.6
96.71875	0.6
97.02958	0.7
98.22595	1.3
99.00890	1.1
99.04543	0.8
101.02457	26.2
111.00894	0.8
113.02460	20.3
119.03519	25.1
121.03029	1.2
125.02467	1.4
131.03528	4.0
143.03531	7.0
149.04596	1.8
161.04570	12.7
170.61313	0.7
179.05632	36.7
187.24223	0.7
191.05667	0.8
259.11050	0.6
270.63040	0.6
465.28531	1.4
483.29587	6.3
484.30786	0.7
558.99463	0.7
645.34967	24.2
646.35510	3.0
705.24182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33987	2.8
59.01383	5.9
61.98829	13.1
69.35990	21.4
70.13797	3.2
71.01386	6.6
81.03446	5.5
83.05029	11.0
84.02148	3.9
85.02950	5.2
95.05053	5.6
95.91403	3.2
97.06585	9.6
97.84496	3.2
106.15603	3.5
107.05031	11.8
115.07695	3.5
120.04279	3.4
121.02914	4.0
123.08193	7.8
125.06071	13.2
125.09727	20.3
127.07634	9.8
130.59013	4.2
135.08167	7.9
139.07660	8.0
139.46913	3.3
139.60239	3.1
141.09242	5.4
143.07137	15.8
153.09230	22.7
163.11281	9.3
171.10280	66.7
185.11844	20.0
187.09763	5.0
189.09364	4.0
191.10776	7.9
197.11771	20.5
207.10258	13.2
209.11847	100.0
217.12381	4.7
225.11298	7.4
227.12918	4.3
227.62303	3.9
248.13359	4.0
261.18527	4.4
263.16754	3.6
271.17383	4.1
287.16602	10.5
289.18188	7.8
305.17621	77.0
307.19150	53.4
323.18628	14.8
325.20270	37.6
379.21191	6.0
381.22800	6.9
432.27020	3.6
559.33362	5.8
577.34119	4.4
589.34131	8.4
607.35010	11.2
618.34009	9.3
656.44836	4.2
669.40265	14.9
687.41180	28.7
688.42078	7.3
705.42242	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	706.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.4
61.98838	2.5
65.00327	1.1
67.01893	0.8
71.01392	2.9
81.03467	1.8
83.01409	0.7
85.02938	0.9
87.00884	0.7
89.02460	2.0
91.01906	2.7
95.01399	1.4
101.02457	1.1
107.01398	2.2
108.02177	9.9
108.62173	0.5
109.02961	79.8
110.03330	0.6
111.00888	3.2
113.02538	0.7
114.05596	0.8
123.00878	2.1
123.04501	0.8
124.01665	2.5
125.02448	1.3
134.03728	0.5
135.00914	0.5
137.02510	0.9
138.03215	0.5
139.00346	1.0
145.02936	0.6
149.02470	0.6
150.03197	0.6
152.01155	5.0
153.01950	100.0
154.02267	1.1
156.06627	0.5
160.04060	0.6
161.04579	0.6
164.04730	0.5
166.05042	0.6
167.03568	0.6
175.04010	0.8
187.11310	0.6
193.05109	0.7
205.12282	0.8
214.08690	0.5
249.11230	1.0
400.17810	0.8
402.19135	1.5
406.18753	0.7
418.18716	0.5
432.20270	0.7
453.17200	0.6
459.19760	0.5
460.16348	1.7
478.20917	0.8
492.22287	1.1
524.22992	0.9
527.21356	0.9
543.18762	2.2
584.25714	0.7
586.23047	3.9
646.25067	18.0
647.25140	0.9
664.15656	0.5
664.26166	2.2
706.27191	92.8
707.27600	7.3
735.82605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
60.41954	0.3
61.98836	100.0
63.02420	0.7
65.00349	0.8
71.01401	1.4
73.02972	0.3
83.01388	0.6
89.02466	0.8
93.03472	0.5
101.02462	0.7
107.01408	1.5
111.00861	0.3
113.02443	0.3
116.92796	0.3
117.03513	0.7
121.03032	0.2
125.09774	0.4
130.31511	0.2
132.02206	0.5
147.36676	0.2
151.00362	2.2
152.00743	0.8
159.04584	0.3
163.00420	0.4
164.01031	0.3
169.01535	0.3
171.04518	0.6
171.10378	0.4
182.03804	0.4
183.04568	2.0
184.04840	1.1
187.04112	0.4
197.11951	0.3
199.03848	0.3
200.04311	0.4
209.11868	0.8
210.12263	0.4
211.03966	1.7
212.04419	1.0
225.11450	0.3
227.03419	1.9
228.03802	1.5
240.04051	0.3
255.03004	22.1
256.03339	14.5
257.03696	1.0
281.04178	0.3
283.02509	30.0
284.02930	31.3
285.03604	7.1
286.04410	1.1
289.18069	0.8
290.18387	0.8
308.19501	0.7
321.03824	0.3
381.06122	2.0
382.06677	2.7
441.08435	0.4
442.08679	0.8
446.08514	2.9
447.08942	6.1
448.09393	1.8
466.06989	0.3
484.09903	0.8
501.01035	0.3
502.10529	0.4
543.11548	3.0
544.11829	8.4
545.12280	1.1
604.14014	1.7
706.17120	24.3
707.17426	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	706.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.4
59.01384	100.0
60.01707	0.4
60.99335	0.4
61.98838	5.5
71.01384	3.7
73.02959	0.9
83.01400	0.7
85.02940	2.5
87.00878	0.5
88.98829	1.3
89.02454	2.8
96.96054	0.6
98.22720	0.6
99.00899	0.6
101.02447	2.3
108.02197	0.4
109.02966	2.2
111.00900	2.5
113.02488	0.6
116.24270	0.4
119.03540	0.6
121.02962	4.7
125.02487	0.4
129.02054	0.4
131.03569	0.4
149.04666	0.4
153.01971	2.1
155.22189	0.4
160.01688	0.5
160.04063	0.6
161.02391	0.4
161.04669	0.9
162.03310	0.5
175.04095	0.6
179.05673	0.5
187.11366	1.1
205.12410	1.0
227.03516	0.5
249.11349	0.7
255.02974	3.0
283.02512	5.4
284.03055	0.5
285.04169	1.0
326.00772	0.4
357.13657	0.5
375.14413	0.4
399.13641	0.4
411.16696	0.8
429.16754	0.4
459.09717	1.3
527.20905	0.8
532.12305	2.2
662.31750	0.7
688.29114	1.2
706.29907	8.2
707.18719	1.5
707.28998	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	706.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41644	0.3
57.27149	0.4
59.01383	0.9
61.98838	100.0
63.53804	0.4
67.33193	0.4
71.01401	0.6
73.58854	0.5
78.95936	0.7
89.02454	0.4
101.02446	0.6
109.88523	0.3
114.18928	0.3
140.36215	0.4
146.86905	0.3
153.74358	0.4
183.14032	1.0
184.14284	0.5
207.10355	0.5
209.10095	0.4
209.11745	1.8
210.12140	0.5
225.11371	0.4
227.12880	0.5
278.64264	0.4
311.79819	0.4
492.31958	0.5
652.31244	0.5
674.35040	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
59.49292	0.2
62.72207	0.3
63.19635	0.2
64.98564	0.2
65.48781	0.2
69.60048	0.6
69.60438	0.4
71.01392	0.8
85.02962	5.1
85.53593	0.2
87.00871	1.6
93.03478	2.4
96.95996	0.5
99.04523	0.3
105.03510	0.3
109.02965	0.4
111.00864	0.3
111.04527	0.6
127.04025	1.4
133.02962	1.5
135.04549	1.4
137.02493	0.2
138.97551	0.2
158.30203	0.2
161.02443	1.4
168.67064	0.2
171.03046	0.3
173.04564	1.9
174.04776	0.3
179.03529	1.1
187.87801	0.3
188.81490	0.3
191.05637	100.0
192.05984	2.1
215.05714	0.3
239.05624	0.4
351.07327	0.3
352.07614	0.4
353.08783	12.9
354.08929	0.5
361.12366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2198
Annotation	Glomeratose C
Peak:m/z	Relative Intensity
59.01387	15.1
61.98833	5.5
71.01388	7.8
73.02943	1.6
83.01380	1.1
85.02966	4.7
89.02428	2.4
101.02460	4.4
109.02936	3.2
111.00846	2.5
113.02417	3.1
116.81285	0.8
117.03477	18.3
119.03580	1.0
119.05039	7.0
121.02979	15.3
125.02426	1.9
132.02187	10.6
133.03003	2.0
134.03752	18.9
137.02435	1.3
145.02966	50.0
146.03282	1.6
149.06039	2.9
153.01874	4.2
154.02248	1.2
160.01672	70.7
161.02016	1.6
161.04526	2.0
161.05949	1.6
161.13248	0.9
163.04016	6.2
163.05995	1.1
175.04019	100.0
176.04286	2.9
178.02646	3.8
179.03455	1.7
187.03995	1.2
187.11244	2.4
193.05060	20.1
205.04878	0.9
205.12379	0.9
307.08240	25.6
344.17404	1.1
369.11734	2.6
376.70740	0.9
384.10641	1.1
399.12994	54.5
400.13132	4.1
501.13858	2.6
567.34174	1.0
576.36621	1.1
646.34485	1.2
707.21533	49.6
708.22089	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	707.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18756	1.8
57.03437	2.6
59.01382	100.0
61.98820	3.5
64.97324	1.9
69.16698	11.7
71.01018	3.3
71.01390	48.7
73.02956	10.1
77.57067	1.7
83.01398	5.6
85.02960	31.2
87.00876	7.3
89.02451	35.4
94.68488	1.7
95.01391	4.0
97.02932	3.8
98.21881	3.7
99.00886	2.2
99.04522	7.6
101.02442	29.9
103.17293	1.8
111.00894	5.7
111.04509	3.7
113.02454	19.3
115.04040	3.3
119.03507	11.3
120.05833	3.0
121.02972	7.6
123.04521	2.0
125.02454	8.0
131.03517	8.9
139.99472	2.0
143.03510	4.3
157.06572	2.8
160.04088	9.0
161.04578	15.5
161.13361	26.5
163.06175	8.9
166.05107	4.2
175.04068	2.2
179.05630	4.8
185.13414	3.5
187.09854	1.6
187.11293	46.1
191.05623	4.5
205.05133	2.5
205.12369	26.7
221.06688	8.6
229.12343	12.2
247.13435	4.7
249.11296	33.2
270.01682	3.1
279.83173	1.9
289.09204	1.9
291.12283	4.2
295.10114	2.4
299.02316	2.9
321.13437	3.4
351.14569	14.8
385.18903	2.0
409.18680	6.0
411.16592	20.6
429.17563	15.5
453.17657	27.5
467.19052	3.0
527.21356	49.3
528.21802	4.7
531.21313	10.6
532.21228	2.3
591.22998	13.7
633.23907	15.4
707.15930	2.8
707.27594	48.0
708.27936	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90524	0.2
57.03441	0.3
59.01380	5.7
60.01723	0.2
61.98836	100.0
65.35434	0.2
71.01389	2.2
72.30270	0.2
73.02959	0.6
75.00874	0.3
83.01432	0.3
85.02973	0.8
87.00916	0.2
88.98833	0.5
89.02450	1.3
95.01431	0.4
96.96039	0.4
97.06631	0.3
99.00912	0.6
101.02470	1.4
101.41653	0.2
111.00888	0.3
113.02477	0.7
119.03531	0.4
120.35889	0.2
121.02976	0.4
123.04458	0.2
131.03680	0.3
134.03752	0.3
151.04044	0.3
161.04599	0.3
171.10326	0.4
175.04044	0.4
181.12436	0.4
193.05058	0.5
201.11357	0.6
207.10330	0.3
209.11823	1.1
225.11404	1.0
227.13005	0.4
243.12306	0.4
255.02977	1.5
256.03262	1.2
256.10861	0.2
257.03662	0.4
271.02585	0.3
283.02478	3.1
284.02863	2.2
285.03064	1.4
286.04129	0.3
287.04880	0.2
416.07593	0.5
417.08173	0.6
418.08203	0.8
575.13123	0.3
647.36774	2.1
663.32770	0.7
669.40814	0.8
671.34534	0.3
689.34125	1.6
707.17902	1.0
707.37360	2.1
708.37885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03443	2.0
59.01384	75.6
60.01702	1.0
61.98826	6.5
62.29524	0.6
63.15261	0.6
71.01389	17.6
71.42018	0.6
73.02959	3.3
83.01385	2.4
85.02953	5.9
87.00885	1.8
89.02455	14.4
95.01403	1.6
97.02959	2.8
97.06578	1.6
99.00891	1.2
101.02448	11.6
102.65815	0.8
111.00890	1.0
111.08215	1.1
113.02448	7.1
113.09754	1.5
115.07646	1.1
115.61740	0.7
119.03506	4.1
125.02461	3.3
141.09253	1.4
143.03493	2.9
151.40923	0.8
161.04550	2.5
163.11380	0.9
165.12822	3.4
166.66776	0.7
167.10796	0.9
167.14455	1.2
179.05650	3.2
181.12318	3.1
191.05583	0.7
193.12433	1.0
193.15944	0.9
195.13911	1.4
197.11873	2.5
207.10406	1.0
209.11894	2.3
210.12088	1.0
211.13461	3.4
213.15004	1.1
221.15523	1.8
225.11191	0.8
229.14627	0.9
235.08243	2.7
242.15378	0.7
247.20633	2.5
253.09251	2.0
259.04816	0.7
263.07736	1.5
273.18619	2.7
281.21179	2.0
285.03079	0.8
291.19696	30.7
292.20129	1.1
309.20740	100.0
310.21100	5.8
311.22305	0.9
397.13513	18.5
398.13556	0.9
415.14609	18.8
416.15057	1.0
427.31476	0.8
461.32828	1.7
605.37183	4.6
647.37982	7.1
665.39069	2.3
707.35333	13.7
708.35907	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91534	0.9
57.03440	1.5
59.01384	31.1
61.98604	0.8
61.98838	8.1
62.06149	0.9
64.86818	0.8
65.15189	0.9
67.62577	1.0
68.88247	0.8
69.03423	1.3
71.01389	18.3
71.42519	1.1
72.99309	1.3
73.02955	3.3
81.03465	1.1
83.01399	1.6
83.05033	1.5
85.02967	4.8
87.00877	2.7
88.98771	1.1
89.02451	15.2
95.01325	1.1
97.02940	2.7
99.00844	1.2
101.02458	12.5
109.06606	2.3
111.08129	1.6
113.02462	5.9
119.03529	5.3
125.02419	3.7
125.09727	1.5
127.11297	1.1
131.03511	1.4
143.03497	1.2
151.11307	1.1
153.12869	3.7
158.67035	0.9
161.04570	3.3
163.11275	1.2
170.62109	1.0
177.52080	0.9
179.05647	3.8
179.14299	1.5
181.12325	3.7
188.24141	1.1
188.67911	1.1
197.11874	3.1
199.13393	1.3
207.10329	4.6
207.13843	1.9
209.11841	13.0
221.06557	1.1
223.38670	1.1
225.11354	8.0
227.12901	4.5
235.08226	3.3
247.20663	3.9
253.09357	1.3
257.96536	1.1
273.18637	1.3
291.19672	24.4
292.20154	1.2
305.08920	1.5
309.20743	100.0
310.20987	5.4
311.22028	1.0
330.60559	1.0
397.13544	26.4
398.13602	1.3
415.14609	21.6
443.18704	1.1
461.20200	3.7
503.32303	1.3
588.22491	1.5
635.31592	1.3
653.31854	2.9
671.32733	3.8
707.35266	22.2
708.34119	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52775	0.5
55.01880	0.8
57.03452	2.0
59.01385	26.8
60.01732	0.6
61.98840	5.0
68.12744	0.5
69.03466	1.6
71.01387	15.5
71.05030	0.5
72.99315	0.9
73.02949	2.4
81.03467	1.1
83.01396	2.0
83.05061	0.6
85.02948	3.8
87.00903	2.6
89.02453	15.1
95.01424	0.9
95.05032	0.7
97.02972	2.5
97.06601	0.8
99.00911	1.1
101.02454	11.7
103.00432	0.5
109.06595	0.5
111.00909	0.9
113.02458	5.5
113.26797	0.4
119.03513	4.4
121.02953	0.7
125.02470	3.8
125.09732	1.5
127.07664	0.6
131.03561	1.0
137.09737	0.8
143.03503	2.0
161.04570	3.0
163.11296	2.8
165.09222	0.8
165.12848	5.4
166.10020	0.9
171.10268	2.5
179.05621	3.9
179.14464	1.5
181.12384	1.8
185.11842	2.3
193.15993	1.8
197.11839	1.2
201.11317	0.6
207.10225	1.0
209.11867	3.5
209.15439	2.3
221.06674	1.1
223.13446	1.8
223.17026	0.8
225.11270	0.7
233.15536	1.6
235.08276	3.7
247.20711	6.3
251.16565	2.0
253.09331	2.0
255.03131	0.6
256.03259	0.6
263.07794	0.6
273.18558	2.5
274.29428	0.5
279.05219	0.6
283.02527	0.8
284.02902	0.7
291.19699	60.9
292.20001	3.6
305.08932	0.9
309.20749	100.0
310.21075	5.7
323.09924	1.1
397.13535	21.1
398.13998	0.7
415.14603	25.2
416.15121	0.9
614.89368	0.5
656.33398	0.6
675.32532	2.1
707.16882	0.9
707.36993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01382	100.0
60.01717	0.5
61.98835	5.0
62.87740	0.4
63.24450	0.4
71.01378	4.6
72.99370	0.4
73.02962	1.3
78.77805	0.5
78.95927	1.2
83.01408	1.3
85.02953	4.1
87.00908	0.8
88.98832	0.8
89.02464	1.9
95.01439	0.5
95.69705	0.5
96.96032	0.5
101.02433	3.6
113.02452	3.3
118.61896	0.5
119.03561	0.5
125.02473	0.6
143.03445	0.6
157.93031	0.4
161.04582	0.8
175.04031	0.4
195.10916	0.5
197.11913	1.4
207.10327	0.7
209.11934	1.9
242.72215	0.5
270.26373	0.5
291.19797	1.1
309.20779	4.5
310.21100	0.6
384.55304	0.5
415.14853	1.3
443.31808	0.6
461.32834	2.3
503.34152	0.7
507.20367	0.5
587.36285	0.6
605.36908	9.1
606.37671	0.9
623.38556	1.2
647.37982	14.0
648.39020	1.4
665.38696	3.1
707.37311	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	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.0
59.01386	56.2
61.98829	8.2
62.47513	2.3
64.23432	2.2
71.01373	3.3
74.60606	2.2
76.17526	2.5
78.95940	2.5
80.02670	2.5
83.05036	8.9
97.06597	7.3
99.08125	3.1
103.63350	2.6
109.06611	3.1
115.07662	5.2
117.65362	2.9
123.04559	3.0
125.06109	4.9
125.09727	11.8
125.48685	2.2
127.07687	10.2
127.11266	2.7
129.09218	3.1
135.08212	4.2
137.09836	2.9
139.07610	4.0
141.09210	6.1
143.07181	6.2
150.58789	2.5
153.09232	11.2
155.10907	3.6
163.11284	7.5
171.10284	56.6
176.39436	2.6
178.09988	2.7
181.12476	4.3
185.11865	20.1
191.10876	5.8
191.48799	2.6
197.11900	17.6
199.59911	2.5
207.10266	8.7
209.11856	91.3
210.12146	5.6
211.13344	2.7
221.12030	3.3
225.11354	5.9
235.13528	3.1
281.13968	3.2
284.28250	2.7
289.18198	11.1
291.19739	12.1
297.20291	2.7
305.17740	11.7
307.19193	100.0
308.19226	6.3
309.20712	7.6
325.20209	20.3
327.21744	14.0
335.22177	3.6
340.61475	2.3
363.21844	3.8
381.22931	9.4
547.32703	8.1
561.34174	4.3
565.33313	3.7
579.35083	2.8
602.34930	3.2
607.34882	8.6
620.35876	3.8
671.42023	11.5
689.42780	18.1
690.42834	3.5
707.44012	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	707.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.9
59.01381	9.2
61.98829	18.4
71.01385	3.4
78.81650	2.3
78.95912	3.1
81.03448	2.8
82.95428	7.1
83.05041	4.2
84.02182	3.2
85.02940	3.7
95.05046	3.7
97.06583	4.3
99.04520	3.4
102.88792	2.4
109.06631	2.7
115.07648	3.1
125.06095	3.3
125.09729	13.1
127.07697	13.3
129.77351	2.4
134.62994	2.4
135.08165	4.5
139.07646	5.0
141.09265	12.9
150.12115	2.5
153.09235	30.9
155.10802	9.5
163.11333	7.3
165.12898	3.6
171.10286	51.9
178.10022	5.5
181.12349	3.3
183.13980	2.2
185.11823	15.9
191.10815	7.1
197.11885	14.5
209.11845	74.6
211.13448	2.6
223.13506	5.2
225.11407	3.8
238.12193	3.5
245.19133	4.6
260.39328	2.3
272.95224	2.4
289.18250	17.7
289.21109	3.7
291.19754	2.7
305.17557	8.6
307.19199	100.0
308.19580	4.7
309.20859	3.4
319.19315	3.3
325.20239	67.0
327.21875	4.9
363.21829	5.0
381.22861	9.0
393.22852	3.0
399.23218	3.1
547.32794	7.1
561.34357	3.7
565.34192	13.1
591.35400	5.7
620.35864	9.8
638.36609	4.0
671.41748	9.6
689.42761	18.3
707.43878	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	708.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73582	2.3
55.01876	3.8
57.03448	2.7
59.01381	61.5
61.98833	30.9
63.44479	2.5
71.01389	47.6
73.02956	18.5
79.95741	2.4
83.01389	11.4
85.02964	25.6
89.02448	8.5
95.01392	5.9
96.35257	2.3
99.00902	7.0
101.02447	62.9
105.66451	2.3
113.02447	22.2
116.92816	3.1
126.39687	2.5
130.82156	2.6
138.94762	2.2
143.03523	3.6
152.40663	2.7
159.03105	2.8
161.04581	23.4
179.05644	3.1
209.11880	5.6
214.06793	2.4
219.84691	2.5
306.42728	2.6
420.75787	2.8
443.31927	3.8
503.33798	93.1
504.34344	11.2
665.39063	100.0
666.39038	14.4
708.37970	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78312	0.4
59.01390	2.7
61.98829	1.1
64.39092	0.5
65.00327	0.8
69.12119	0.9
69.12525	2.0
71.01373	0.6
107.01408	1.8
108.02200	1.5
120.02289	0.4
135.00870	0.7
135.06570	0.4
148.01718	1.4
151.00359	3.6
163.00409	1.2
164.01202	0.7
178.99854	2.7
198.03223	0.7
199.04076	1.3
201.02002	0.7
211.03999	0.6
213.01682	0.5
215.03534	1.2
216.04218	0.6
226.02693	1.6
227.03545	2.8
243.03008	12.9
254.02292	2.5
255.02991	28.8
256.03497	0.9
265.17200	0.5
271.02502	72.1
272.03000	4.3
282.95642	0.5
299.02020	9.9
300.02765	100.0
301.03299	7.0
649.13867	1.8
667.15082	2.6
709.16248	52.9
710.16498	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	709.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.1
61.98835	0.6
65.00336	0.7
65.64790	0.3
71.01403	1.3
73.02952	0.5
73.15182	0.4
82.08091	0.4
83.01398	0.8
85.02974	0.8
89.02457	1.2
101.02440	0.9
107.01428	1.1
109.03003	1.0
112.83134	0.4
119.05048	1.1
129.02000	0.4
131.03493	0.4
133.02997	0.8
135.04533	0.5
141.37184	0.4
147.00986	0.4
149.04565	0.7
150.26251	0.4
151.00377	4.2
151.04041	0.5
159.62886	0.4
163.00438	0.6
163.04031	0.5
164.01195	0.4
171.04549	1.0
175.00412	0.6
175.04012	0.7
178.99930	1.3
187.03970	0.5
191.05597	0.5
199.04050	3.3
201.02005	1.4
203.03622	0.4
215.03500	1.7
225.02077	0.4
226.02675	0.6
227.03539	2.6
243.03003	5.2
254.02151	0.9
255.02998	1.5
271.02515	56.4
272.02847	2.4
299.01996	100.0
300.02667	13.2
301.03564	12.2
302.04044	0.5
313.03619	0.8
343.04575	1.0
462.08078	23.4
463.08917	3.4
487.08798	1.2
505.09778	0.8
547.02594	0.8
547.10956	14.8
548.11548	0.7
589.12122	1.0
649.14105	2.9
654.02551	0.5
667.15198	2.1
695.63403	0.5
709.16278	50.2
710.16699	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	709.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75921	0.4
52.08926	0.4
54.98566	0.5
57.35852	0.4
59.01381	3.1
61.98830	2.2
65.00356	0.8
66.67574	0.4
69.41856	2.7
71.01389	0.7
76.96027	0.4
82.39917	0.4
83.01395	0.6
85.02979	0.6
89.02497	0.8
107.01399	1.4
108.02188	2.0
113.02441	0.6
114.91586	0.5
121.02956	0.6
130.26166	0.4
134.03734	0.4
135.00911	0.7
148.01674	0.6
151.00363	4.7
160.01604	0.6
163.00357	0.8
168.51266	0.5
175.04108	0.6
178.99857	2.6
181.62924	0.5
193.05031	0.5
199.04005	1.3
215.03589	0.7
226.02756	1.6
227.03587	2.9
243.02994	9.0
254.02242	1.8
255.02991	23.3
256.03436	0.5
271.02484	55.7
272.03036	3.6
299.02014	8.4
300.02771	100.0
301.03394	8.7
547.11090	6.7
589.11121	0.7
649.14337	3.3
654.25336	0.7
667.15155	2.2
709.16260	46.1
709.28827	1.5
710.16656	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	709.163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16253	0.4
59.01385	6.4
65.00347	1.0
69.07140	0.8
69.07549	2.4
71.01390	3.2
72.63635	0.5
83.01402	0.6
85.02939	0.9
87.00877	0.5
89.02440	2.9
101.02440	1.7
107.01425	1.9
109.02972	1.1
111.00932	0.6
113.02462	1.4
119.03502	0.5
121.03007	1.2
125.91059	0.5
133.02971	1.1
134.03795	0.6
135.00899	1.0
151.00378	7.7
160.01675	0.5
161.13368	0.6
163.00372	1.3
171.04555	1.4
175.00436	1.2
175.04028	1.3
178.99861	1.5
183.04544	0.4
187.04004	1.4
187.11253	1.3
193.05066	0.5
199.04015	4.2
201.01900	0.7
205.12354	0.5
215.03462	2.2
224.40688	0.5
226.02774	1.0
227.03497	4.2
242.02400	0.6
243.02997	4.9
246.72737	0.5
254.02260	1.0
255.03017	2.2
271.02502	58.8
272.02811	3.7
283.02448	0.6
285.04068	0.8
297.11902	0.8
299.01993	100.0
300.02637	14.7
301.03537	35.7
302.03995	1.6
343.04343	1.1
356.20721	0.5
365.81363	0.6
459.43314	0.4
461.07394	0.6
462.08072	27.7
463.08844	14.7
464.08557	0.6
485.23050	0.6
505.10114	0.8
507.37384	0.6
529.23029	5.8
546.63031	0.5
547.10925	13.3
548.11310	1.5
589.12134	0.9
649.14099	1.5
667.15289	2.5
709.16327	51.3
709.29248	4.1
710.16449	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	709.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10102	0.5
59.01383	7.2
61.98842	0.9
63.02406	0.5
64.72359	0.4
65.00340	0.6
69.42048	1.7
71.01391	3.9
73.02936	0.7
82.95427	0.5
85.02955	1.5
89.02446	2.0
93.03531	0.4
97.19407	0.4
98.21824	0.7
99.04547	0.5
101.02454	2.2
105.03509	0.3
107.01404	1.2
109.02992	1.7
111.00885	0.8
111.61478	0.4
113.02479	1.1
119.03469	0.7
119.05034	0.5
121.02991	0.7
121.71236	0.3
132.02171	0.6
133.02992	0.8
134.03740	1.6
135.04533	0.8
143.05022	0.5
145.03026	0.5
147.00876	0.5
151.00385	2.4
153.01968	0.7
160.01678	2.1
160.04028	0.7
161.02469	0.6
161.04510	0.4
161.13376	1.0
165.01903	0.5
171.04543	0.9
173.02435	0.4
175.03972	2.7
178.99875	0.9
179.03540	0.4
179.05592	0.4
182.58641	0.4
187.04021	0.7
187.11221	0.8
188.04639	0.4
193.05103	1.2
198.03221	0.4
199.04007	4.5
201.01973	0.9
205.12280	0.7
215.03511	1.7
226.02724	1.2
227.03543	3.4
231.10297	0.5
242.02328	0.6
243.02979	5.1
249.11360	0.4
255.02957	1.2
271.02499	56.5
272.02844	2.9
297.11908	0.7
299.01990	100.0
300.02536	7.9
301.03537	3.4
321.15097	0.4
360.60266	0.4
423.23154	0.5
461.07196	2.2
462.08078	35.0
463.08640	2.9
487.08481	0.9
504.08969	8.2
505.09796	2.6
529.22864	2.2
547.10992	8.2
548.11725	0.6
589.11731	0.7
645.25067	0.4
649.14008	0.9
667.15015	2.1
709.16284	35.2
709.29150	3.1
710.16278	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	709.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
65.00351	1.1
69.59221	1.7
69.59570	0.6
70.37717	0.4
71.01411	0.4
83.01415	0.4
85.49551	0.4
107.01424	0.9
109.02997	0.7
113.02473	0.4
121.02972	0.6
121.80656	0.4
128.46567	0.4
133.02936	1.1
143.05055	0.6
151.00356	4.0
153.52364	0.5
155.04988	0.4
164.26967	0.4
171.04510	1.0
175.00410	0.5
175.04044	1.2
178.99817	0.7
183.04570	0.6
187.04062	1.0
198.03203	0.6
199.04071	4.7
201.01929	1.3
203.03552	0.5
215.03581	2.7
226.02690	1.4
227.03539	4.1
242.02261	0.8
243.02985	4.6
254.02122	0.6
255.02948	1.6
271.02502	63.9
272.02863	1.8
282.01321	0.6
299.01993	100.0
300.02591	8.4
301.03540	8.9
313.03339	0.5
461.07162	2.3
462.08078	45.1
463.08646	5.6
487.09167	1.2
547.10931	11.3
547.18982	0.7
548.11499	1.2
589.12585	0.5
649.14410	2.0
667.14819	2.9
709.16266	36.7
710.16748	3.0
721.41595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32545	0.4
59.01386	3.1
60.46735	0.3
60.53737	0.3
61.98834	2.5
63.02421	0.5
65.00328	1.0
70.42138	0.3
71.01388	1.1
72.67728	0.4
73.56290	0.3
83.01385	0.8
91.01861	0.3
101.02438	0.5
107.01369	1.8
108.02185	1.9
119.01425	0.5
121.02969	0.5
135.00894	1.0
139.86412	0.4
148.01703	1.6
151.00381	5.0
159.04466	0.4
160.01619	0.6
163.00380	1.1
164.01180	0.9
175.04074	0.6
178.99864	3.2
183.04529	0.4
187.04030	0.5
198.03140	0.6
199.04060	2.2
201.01913	0.4
203.03578	0.5
215.03532	0.7
226.02754	1.5
227.03485	3.7
243.03017	12.5
244.03571	0.5
254.02415	1.9
255.03006	27.8
256.03430	1.1
271.02499	70.8
272.03009	3.5
299.02008	11.0
300.02771	100.0
301.03394	9.0
454.98169	0.4
505.09973	0.6
547.11047	8.1
548.11084	0.5
589.11810	0.5
649.14044	3.4
667.14648	2.0
709.16241	41.8
710.16394	3.5
723.63928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20995	0.5
57.03432	0.5
59.01134	0.5
59.01387	7.9
61.98820	0.7
62.02465	0.5
69.27200	2.8
71.01382	3.7
71.30014	0.5
73.02955	0.6
75.00868	0.5
83.01400	0.6
84.59995	0.5
85.02943	1.4
87.00851	0.6
89.02448	3.2
101.02451	2.0
107.01408	1.2
108.02205	0.5
109.02946	2.1
111.00906	1.0
113.02485	1.3
114.46495	0.6
116.92815	0.8
119.03529	1.2
123.22578	0.6
133.02971	0.7
134.03740	0.7
135.04552	1.1
151.00356	2.9
153.01949	1.7
160.01677	1.4
160.04048	1.3
161.13412	0.8
171.04520	0.6
175.03987	2.3
179.05539	0.6
183.04362	0.5
187.11270	0.7
193.05110	1.3
196.81996	0.5
197.02534	0.7
199.04059	3.6
201.01932	1.2
203.03462	0.9
205.12413	0.7
215.03511	1.9
226.02733	0.8
227.03557	3.8
243.03015	5.0
255.03023	1.8
271.02502	55.7
272.02908	1.7
297.11710	0.9
299.01987	100.0
300.02585	8.0
301.03564	3.8
335.15509	0.5
427.06274	0.6
461.07248	2.2
462.08093	36.6
463.08658	2.9
474.97009	0.5
487.08795	1.1
504.09079	8.8
505.09808	3.3
529.22479	2.4
547.10901	7.5
589.12164	0.7
649.14398	1.1
667.14844	2.6
708.28387	0.8
709.16418	37.7
709.29138	5.4
710.16382	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	709.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
71.01384	15.2
73.02954	1.5
73.28551	0.5
79.53360	0.5
89.02434	0.7
98.21866	1.1
100.45313	0.5
101.02451	1.6
101.08704	0.5
108.41584	0.5
113.02448	1.1
115.00375	10.6
118.95323	0.6
121.02966	100.0
122.03314	1.5
138.72865	0.5
149.06088	0.5
177.01888	0.9
191.05585	0.7
237.01651	1.0
237.04074	16.2
271.02460	1.7
299.01929	4.2
301.03589	0.9
302.93613	0.6
336.09976	0.5
362.11295	0.5
709.16638	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	709.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.5
59.01384	74.2
61.98824	2.9
63.71934	1.3
69.42019	3.2
69.42401	3.1
71.01389	39.0
71.80814	1.5
73.02934	4.5
80.21429	1.3
81.03431	2.1
83.01392	2.5
85.02953	12.7
87.00883	2.8
89.02453	41.7
90.44594	1.3
93.07119	1.6
95.01383	2.0
95.05023	1.3
98.22597	3.2
99.00842	1.7
99.04515	3.2
101.02450	25.4
101.85984	1.3
111.00879	2.1
113.01793	1.5
113.02466	13.3
116.92833	4.0
119.03531	15.2
120.05772	2.6
120.30405	1.3
121.02889	1.7
125.02359	1.6
129.10242	1.2
131.03479	1.5
133.02925	1.4
135.04472	1.5
135.06616	10.2
143.03471	2.0
149.04543	1.9
151.00249	1.5
153.15703	1.6
160.04012	1.5
161.02434	2.9
161.04593	7.4
161.09659	1.6
161.13373	16.5
175.03976	1.9
179.05611	7.2
187.11295	28.9
188.11609	1.6
191.05530	1.6
193.05022	1.5
199.04083	1.6
205.12315	17.3
227.03586	1.6
229.12355	4.5
247.13428	2.0
249.11209	6.0
250.09431	1.3
271.02496	16.1
279.10736	1.7
297.11978	22.3
299.01987	26.2
300.02521	3.8
301.03381	4.8
462.07965	4.1
485.23828	2.3
504.09061	6.3
505.09555	4.3
529.22931	100.0
530.23291	4.0
547.10834	2.2
659.97974	1.8
709.16339	12.7
709.29108	66.3
710.16998	2.6
710.29596	3.4
725.10229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	23.4
59.35058	3.3
61.98827	34.2
71.01392	8.1
71.42267	4.1
73.02962	5.1
89.02462	6.1
96.96024	3.6
101.02452	6.6
113.02427	3.6
138.62700	3.1
143.21176	3.1
171.03619	4.1
171.10231	8.2
207.10175	4.6
209.11845	100.0
227.12906	25.8
253.09297	8.5
311.22110	5.2
321.63226	3.8
359.72089	3.7
424.75388	3.7
445.20712	7.9
709.31769	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	709.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32211	0.6
57.03441	0.7
59.01382	10.5
61.98829	2.1
62.41658	0.6
69.03462	5.4
69.28442	3.8
71.01389	4.6
71.05028	1.6
73.34669	0.7
75.57030	0.6
77.80398	0.6
83.01390	0.9
83.05009	0.8
85.02977	1.0
88.38661	0.7
89.02431	2.3
98.22777	0.6
101.02444	4.1
109.84705	0.7
113.02457	1.9
116.92908	0.7
123.08205	1.0
125.09720	1.6
130.19281	0.7
141.66138	0.6
151.11292	2.4
153.12833	1.5
161.04539	1.0
161.09724	2.4
177.09209	0.7
179.10802	7.6
192.95619	0.7
197.11845	87.7
198.12103	1.9
198.13968	0.8
223.09712	2.6
241.10797	4.9
249.18610	19.6
250.18987	1.0
253.09311	3.7
304.93399	0.7
313.43094	0.7
351.55399	0.7
394.71210	0.8
459.18927	1.6
477.19635	3.6
600.74060	0.7
709.38074	100.0
710.38464	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	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.7
61.98833	2.4
62.97665	1.8
71.01373	5.5
79.54814	1.5
85.02976	1.9
89.02425	3.5
97.06568	3.9
98.22715	2.9
101.02434	3.1
113.02474	1.8
115.02423	1.7
119.92659	1.6
133.39464	1.5
151.11333	11.8
169.12360	83.0
170.12695	4.5
171.10251	5.2
213.11365	13.5
220.82924	1.5
235.08215	2.3
246.90349	1.5
253.09277	4.6
277.21744	28.8
278.21933	2.9
431.19318	1.8
449.20392	10.6
547.36377	1.9
709.41718	100.0
710.41943	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	709.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.7
61.98833	2.4
62.97665	1.8
71.01373	5.5
79.54814	1.5
85.02976	1.9
89.02425	3.5
97.06568	3.9
98.22715	2.9
101.02434	3.1
113.02474	1.8
115.02423	1.7
119.92659	1.6
133.39464	1.5
151.11333	11.8
169.12360	83.0
170.12695	4.5
171.10251	5.2
213.11365	13.5
220.82924	1.5
235.08215	2.3
246.90349	1.5
253.09277	4.6
277.21744	28.8
278.21933	2.9
431.19318	1.8
449.20392	10.6
547.36377	1.9
709.41718	100.0
710.41943	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	710.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94730	0.2
57.46587	0.2
59.01385	3.3
61.98835	100.0
62.98557	0.3
71.01395	1.0
73.02950	0.3
73.24210	0.2
78.95885	0.4
83.01457	0.2
85.02980	0.4
88.98818	0.3
89.02469	0.5
99.00918	0.2
101.02477	0.6
113.02483	0.3
116.92881	0.2
119.03499	0.2
121.02991	0.6
123.04504	0.2
135.04465	0.2
152.99615	0.3
163.04184	0.2
178.08824	0.3
255.02980	2.3
283.02478	6.3
284.02927	0.4
285.04077	0.5
430.09088	2.2
647.16290	4.6
648.16553	0.4
649.37994	0.3
650.37457	0.3
709.39709	0.3
710.31641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	53.7
59.08825	5.6
61.98840	100.0
69.13728	32.5
71.01386	20.6
72.02882	4.9
73.02949	6.9
80.16223	5.4
85.02977	8.7
89.02477	9.2
96.96040	12.6
101.02487	9.4
111.00931	6.1
121.02975	7.0
121.75019	6.2
134.03619	5.1
137.48480	5.9
155.70204	6.2
156.08134	5.0
187.89067	4.8
247.30042	5.3
252.98782	5.1
355.04803	7.2
578.03235	6.9
639.84338	6.1
651.39038	6.3
710.36725	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	710.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	5.9
58.69352	4.9
59.01390	44.0
60.10891	6.0
61.98835	100.0
64.36619	5.1
64.93263	4.7
71.01373	16.8
72.99285	6.3
73.02957	7.5
85.02968	8.3
89.02452	9.7
94.17627	8.2
95.01348	8.0
96.96003	10.7
101.02406	9.7
121.02993	8.5
176.64136	7.8
183.35574	5.7
215.19800	6.1
253.04675	6.6
280.22263	6.1
303.61566	5.4
309.21170	6.5
374.93283	6.3
443.05319	6.2
456.56870	6.2
650.37543	6.7
710.38184	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	710.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.4
60.91669	1.1
61.98839	1.7
69.45972	1.1
69.67857	1.0
70.46010	1.0
70.95412	1.4
71.01388	1.4
73.90973	1.2
89.09177	1.2
94.43437	1.3
101.02442	3.2
118.22998	1.0
127.11222	1.4
171.10289	84.4
172.10646	1.9
235.08203	3.8
253.09305	7.0
277.21762	100.0
278.22083	5.5
316.29465	1.2
339.28549	1.4
349.08517	1.1
407.19363	2.3
496.60376	1.1
710.40564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36504	0.9
59.01382	2.3
71.01379	1.4
89.02460	1.4
98.21886	2.7
101.02457	2.3
113.02483	1.1
123.09306	1.1
124.79244	1.0
127.11240	1.0
171.10287	100.0
172.10628	3.4
235.08279	1.7
253.09337	5.5
272.23404	1.0
277.21750	53.8
278.22089	2.5
312.36450	1.0
394.26422	1.1
407.19238	2.9
710.40375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66039	1.5
55.57834	1.5
59.01390	8.9
61.98836	2.0
61.99495	1.5
66.36456	1.6
69.27430	4.7
69.27832	3.4
71.01398	5.2
85.02956	5.1
87.00927	2.0
89.02464	5.3
93.03468	2.9
93.63645	1.3
96.96021	2.0
101.02459	5.3
111.00892	1.8
113.02457	2.2
119.03513	2.6
124.58619	1.6
132.02216	3.8
134.03755	18.3
135.04530	2.3
137.02466	6.8
147.04529	2.0
149.06096	4.2
151.06088	1.8
160.01663	28.0
163.45311	1.8
175.04008	33.9
176.03419	1.7
176.04778	2.8
177.01840	1.6
178.02779	2.2
179.05692	2.0
191.05626	8.2
191.07210	4.6
191.99458	1.5
193.05092	24.5
214.26129	1.6
235.06085	18.5
244.84155	1.7
295.08267	2.7
314.79156	1.7
355.10287	1.8
356.09958	1.7
367.24503	1.6
489.16171	100.0
490.16718	3.3
511.63654	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	711.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58167	0.4
56.75497	0.4
57.03447	0.4
57.17410	0.4
59.01390	3.4
61.98840	1.0
68.18639	0.4
71.01389	4.2
73.02943	0.9
82.39107	0.5
85.02952	1.9
89.02448	1.8
93.03490	0.7
94.02264	0.4
95.01341	0.5
101.02453	2.1
109.02925	0.7
111.00900	0.6
113.02448	1.4
119.03519	0.6
119.04995	0.7
121.02980	3.7
122.03770	1.6
123.00896	0.6
123.04586	0.6
134.03752	1.9
135.04503	0.5
136.01675	27.5
137.02502	4.1
139.71201	0.5
149.02498	0.7
149.06017	0.8
151.00410	5.5
151.04028	43.4
152.04486	2.0
159.04532	0.8
160.01668	0.7
160.04114	2.5
160.05209	0.6
161.02478	0.8
161.04585	1.9
162.03296	0.6
163.04057	1.3
166.02733	25.6
167.03448	1.6
175.04059	1.7
175.07620	0.8
177.01932	1.3
177.05600	0.5
178.02730	0.8
178.97688	0.4
181.05087	35.1
182.05420	1.1
191.03658	0.5
193.04991	2.5
195.02948	0.8
205.05080	0.6
271.02411	0.5
290.50922	0.6
294.04977	0.7
299.02036	0.8
329.10425	1.0
334.32166	0.6
357.09805	8.6
358.10022	0.7
372.12134	7.6
373.12354	0.9
387.14520	100.0
388.14850	6.0
549.19879	0.7
683.25659	0.6
711.20001	1.2
712.22577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00884	0.5
59.01382	8.2
60.29908	0.5
61.98831	2.6
67.01888	0.6
67.95154	0.6
68.99819	11.8
70.89908	0.7
70.90237	0.7
71.01383	2.6
73.02939	1.1
78.91888	2.9
80.91698	2.7
81.03456	2.1
83.01375	0.7
85.02951	1.2
86.93634	0.5
87.47840	0.6
89.02452	2.6
93.68363	0.5
95.01399	1.0
96.95980	0.8
99.04524	4.4
101.02469	2.2
107.01393	1.4
108.02183	14.8
109.03008	3.7
111.00877	2.1
112.62628	0.6
113.02477	1.6
116.92840	0.9
117.03489	0.7
119.03477	1.0
121.02972	10.3
122.03751	2.8
123.00903	8.7
123.04536	17.8
123.47487	0.7
125.02475	1.0
128.01575	0.6
132.02182	2.7
133.02968	2.4
134.03755	1.0
135.04521	1.8
137.02472	0.7
138.03238	7.9
147.04556	1.3
149.02377	0.7
150.03241	12.0
151.03960	1.2
153.05548	0.9
160.01639	1.1
161.02455	12.4
162.01907	1.2
162.03246	22.0
163.04025	16.4
164.01129	1.1
164.04764	2.5
165.05530	2.2
175.04019	1.6
177.05585	41.7
178.02727	20.3
178.06111	1.4
178.08763	1.3
179.03517	4.3
179.05054	0.6
179.09236	0.6
180.10324	1.4
185.41438	0.6
187.11253	0.7
191.05682	0.6
193.05069	46.8
194.05826	12.8
195.06442	1.1
196.07149	0.6
243.03000	0.7
255.02948	1.4
263.09216	3.2
271.02518	3.0
272.02802	2.2
273.03143	1.2
278.11652	3.6
293.13986	4.0
299.01910	1.1
300.02805	3.6
301.03217	3.3
302.03323	2.4
405.15591	8.6
406.16650	0.6
443.44971	0.7
457.18576	1.0
487.19757	100.0
488.20105	7.5
531.22198	1.0
549.02295	0.6
566.61523	0.7
567.30438	0.8
649.14020	0.7
651.36816	0.7
711.16980	3.5
711.36810	1.0
712.16589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
57.03449	1.8
58.00598	1.3
59.01382	100.0
61.50698	0.6
61.98829	2.7
62.63069	0.7
69.50489	3.3
71.01386	48.1
72.99309	1.6
73.02962	2.1
75.00855	0.7
75.27526	0.6
79.05542	0.9
81.03459	1.3
83.01401	2.4
85.02956	10.5
87.00887	3.3
89.02451	53.5
93.07092	0.8
95.01401	3.6
95.05029	2.3
99.00867	1.1
99.04533	1.8
101.02446	27.5
107.05030	2.7
111.00894	1.0
113.02457	18.9
113.03249	1.1
119.03526	20.2
119.05015	19.2
120.05814	1.4
121.02969	10.9
125.02451	0.9
131.03514	2.1
135.04535	1.4
137.06081	2.4
143.03494	2.3
143.36632	0.7
149.04515	1.1
150.03235	1.5
157.06606	2.1
159.11777	2.3
161.04626	3.3
161.09821	1.0
161.13368	27.8
162.13721	1.1
163.03963	1.0
165.05547	2.3
169.10181	1.3
171.08122	0.9
172.08972	1.0
178.08669	1.7
179.05618	8.1
180.10246	1.4
185.09695	2.1
185.13301	1.3
187.11292	65.9
188.11539	1.8
193.05112	1.6
195.06619	3.3
205.12355	28.7
206.12712	1.7
229.12357	4.1
231.10275	2.9
247.13394	3.1
249.11388	1.2
281.10330	3.7
299.11380	55.1
300.11554	1.4
307.15399	1.3
359.99304	0.7
411.16867	1.1
487.23453	35.0
488.23544	2.0
531.22418	62.2
532.22760	5.7
550.59406	0.7
554.19067	0.8
711.28534	25.9
712.28705	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03443	2.0
59.01382	100.0
61.98831	2.9
66.22267	0.9
69.70600	4.5
71.01387	43.5
72.99308	1.7
73.02936	3.1
83.01381	2.8
85.02957	9.7
87.00864	2.2
88.98798	2.6
89.02451	43.1
93.03513	1.2
95.01385	3.0
95.05061	1.6
99.00822	1.0
99.04523	2.4
101.02446	25.2
105.07101	1.1
106.04283	1.1
107.05042	3.0
111.00892	6.3
113.02459	18.3
119.03519	19.2
119.05018	18.0
120.05804	1.9
121.02959	10.6
123.04573	1.3
125.02467	2.1
131.03471	1.6
132.02141	2.1
134.03755	2.8
135.04539	1.2
137.06093	11.1
143.03526	2.8
149.04538	1.3
159.11775	2.0
160.01657	5.8
161.04555	3.8
161.13370	20.5
162.03169	2.2
172.08842	1.2
175.03993	5.4
177.05568	1.6
178.02675	1.5
178.08707	1.5
179.05644	5.2
180.10371	2.2
185.13478	1.1
187.11287	53.2
188.11598	1.6
193.05128	5.0
197.70876	1.0
203.14409	1.6
205.12335	21.9
206.12473	0.9
206.88293	1.1
222.77701	1.0
229.12294	2.4
231.10318	1.7
247.13580	1.9
271.02463	3.6
272.02692	1.5
273.03088	1.5
281.10416	3.1
299.01913	2.4
299.11374	40.9
300.02859	4.1
300.11682	1.3
301.03275	4.0
302.03363	3.1
426.34299	1.1
487.24249	12.8
531.22388	83.4
532.22644	3.9
567.29724	1.3
651.37463	1.8
711.16455	4.7
711.28253	29.3
712.29590	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	711.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03445	1.7
57.45518	1.0
58.00597	1.1
59.01382	100.0
61.98833	19.7
69.14764	0.9
71.01387	39.7
72.99273	1.7
73.02951	2.1
83.01392	3.8
83.04998	1.2
85.02959	9.2
87.00888	2.0
89.02445	39.7
95.01359	2.6
95.05011	1.5
96.46383	0.9
96.96005	1.9
97.02950	1.0
98.22707	1.8
99.00886	1.1
99.04504	1.3
101.02444	23.8
105.07087	0.9
107.05035	2.2
111.00894	1.7
113.02463	16.3
119.03522	15.0
119.05018	12.4
119.18797	0.9
120.05810	1.2
121.02959	4.4
128.14534	0.9
131.03505	1.9
135.04562	1.9
137.06084	2.2
143.03450	2.5
157.06538	1.5
159.11780	1.6
161.04524	3.4
161.13358	18.7
175.04065	1.0
179.05598	4.5
180.02840	1.0
185.09679	1.1
187.11295	35.0
205.12344	20.6
206.12498	0.9
219.13887	0.9
229.12338	3.2
231.10376	1.7
247.13237	2.1
281.10336	1.7
299.11340	34.5
300.11523	1.4
471.30914	1.6
487.16949	1.6
487.23416	16.9
488.14651	1.0
488.22925	1.1
489.32288	1.8
508.59967	1.2
513.32007	1.8
531.22382	74.8
532.22455	4.4
549.29688	1.0
623.35315	1.1
632.79523	1.0
633.36469	3.4
651.38489	4.5
711.28485	23.5
712.29077	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	711.3452
Annotation	Cyclomontanin D
Peak:m/z	Relative Intensity
53.00538	1.0
55.01879	2.3
56.20826	0.7
57.03436	2.0
58.00585	1.3
59.01387	64.7
60.99306	2.9
61.98840	10.4
69.03490	1.9
71.01394	45.9
72.99307	1.7
73.02954	10.7
75.00861	2.0
81.03456	1.0
83.01387	5.0
85.02960	13.8
87.00873	4.0
87.04511	1.4
88.98815	16.3
89.02457	35.5
92.34672	0.9
95.01388	2.6
97.02953	3.0
99.00896	10.1
99.04472	2.1
101.02460	24.8
111.00894	3.5
113.02461	16.1
115.04014	1.1
117.68562	0.8
119.03540	7.2
119.05088	0.9
121.02950	2.6
125.02437	3.5
131.03500	3.8
134.03812	1.0
135.04517	1.1
143.03583	1.4
143.12892	0.9
149.04558	6.0
160.04089	3.4
161.02374	1.4
161.04607	5.9
163.04041	1.7
164.13103	0.9
175.04057	2.1
179.05556	2.0
180.86517	0.8
191.05658	2.7
193.05113	3.0
196.94615	0.8
203.03108	0.8
205.05130	0.8
209.04398	1.1
233.06633	1.3
234.98633	1.0
271.02600	1.9
293.08765	1.4
294.16977	0.9
299.02051	2.8
301.03494	1.1
417.24884	2.8
443.90866	1.1
531.28943	1.5
549.29266	7.5
579.30438	10.2
621.14740	3.4
662.97394	1.1
711.34576	100.0
712.34991	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	711.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26688	0.7
52.38879	0.7
55.01874	0.9
57.03457	1.0
59.01118	0.8
59.01385	9.2
61.55167	0.6
61.98825	1.3
68.36938	0.6
71.01384	5.9
71.05019	2.5
73.02945	0.8
75.22934	0.6
77.36922	0.6
83.05029	1.1
83.97281	0.6
85.02956	1.5
89.02449	4.5
95.05026	0.7
97.02930	4.1
97.06583	1.5
98.21867	1.4
99.00887	19.0
101.02474	3.4
109.06584	1.4
110.03711	1.8
113.02446	2.2
119.03529	0.9
123.08155	1.7
125.09729	7.4
127.11264	1.3
136.05429	0.7
147.03255	0.6
151.66969	0.6
153.12881	0.6
159.05458	0.6
159.67171	0.7
163.11302	10.7
169.54659	0.6
171.10263	2.5
172.10562	0.6
179.05571	0.7
181.12366	19.3
195.43747	0.6
197.11871	0.8
199.13406	17.9
201.11389	1.4
207.10280	31.8
208.10568	0.8
225.11337	48.0
226.11772	1.5
243.12373	30.9
244.12675	0.6
249.18614	12.3
253.09261	1.6
293.21460	0.6
311.12164	0.6
333.16498	0.7
409.94986	0.6
461.20462	3.9
479.21420	13.4
711.39618	100.0
712.40021	8.0
729.38739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51781	1.6
59.01389	10.1
61.98823	5.7
71.01379	7.2
71.05008	3.5
75.05236	1.8
89.02449	4.4
94.98977	1.7
97.02961	5.8
99.00886	13.1
101.02449	4.3
110.03706	2.7
115.37601	1.8
125.09743	6.2
135.08200	2.5
136.15318	1.6
163.11310	9.1
171.10304	2.4
181.12381	17.6
199.13399	28.3
201.26732	1.6
207.08362	1.9
207.10289	31.1
225.11325	60.5
225.13507	3.1
226.11618	3.2
243.12421	17.0
249.18596	26.1
250.18954	2.7
277.21671	2.3
453.46848	1.8
461.20303	11.7
479.21207	3.0
480.58798	1.8
693.37830	3.5
711.39685	100.0
712.40125	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	712.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78053	0.4
54.41526	0.4
57.03454	1.5
59.01381	4.7
61.98832	3.9
69.03468	0.5
69.17455	2.2
71.01386	4.3
72.99325	0.5
73.02953	1.0
79.64055	0.3
81.03470	0.6
83.01411	0.9
83.28719	0.4
85.02962	2.1
87.00881	1.2
87.04536	0.4
89.02450	1.1
93.03490	0.4
93.85935	0.4
95.01384	0.6
95.67552	0.3
96.96059	0.4
97.02965	1.0
99.00916	0.6
99.04536	0.7
101.02441	2.3
108.02198	1.1
109.02958	2.8
111.00932	0.7
113.02461	2.0
117.03483	0.5
119.03551	0.8
119.05003	0.4
121.02964	100.0
122.03760	29.3
124.01669	0.9
125.02459	4.4
133.02887	0.4
134.03728	2.1
135.04533	6.5
136.01646	0.5
136.36060	0.4
137.02461	1.4
137.06084	1.8
138.06398	0.4
139.24323	0.3
143.03537	1.9
145.02963	1.6
147.06879	0.4
149.02444	0.6
149.06108	0.4
150.03300	1.0
151.03972	0.8
153.01862	0.4
154.02744	1.4
160.01776	0.6
160.04005	0.4
161.02435	0.4
162.03203	0.5
163.04033	2.1
164.04718	0.5
165.05560	0.8
165.07906	0.6
165.30670	0.3
177.05507	0.7
178.02798	0.6
178.08723	4.0
179.03244	0.5
179.09430	1.7
180.10310	93.8
181.10663	3.1
187.11229	0.6
193.05064	1.7
194.05469	0.5
195.06659	0.7
222.11374	0.4
223.06079	0.7
234.11469	0.5
250.10834	1.2
255.02979	0.8
271.02448	0.4
283.02518	2.0
285.04074	0.8
288.12668	0.5
288.52911	0.4
306.13528	2.5
307.08078	1.0
324.14600	1.5
332.68073	0.4
349.09531	0.4
367.10519	0.4
406.15826	0.7
409.11707	0.4
428.17169	1.0
441.19189	0.5
447.16885	0.4
448.16919	0.8
468.18787	1.2
488.20236	0.5
494.02243	0.4
527.22845	0.5
532.22668	1.0
550.20044	1.0
581.23065	0.5
590.22302	4.6
669.39813	0.4
677.17810	0.9
712.26245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00751	0.4
57.03465	1.9
59.01389	5.2
59.32404	0.3
61.98833	2.9
69.03465	0.8
69.22865	1.5
69.23272	0.9
71.01389	4.5
73.02950	1.1
81.03454	0.7
83.01418	0.7
85.02961	2.3
87.00884	1.3
88.98866	0.5
89.02457	1.6
91.01912	1.1
93.03477	0.6
95.01402	0.9
96.96036	0.5
97.02980	1.1
99.00879	0.6
99.04559	1.3
101.02439	3.0
102.05580	0.4
107.05014	0.4
108.02193	2.2
109.03013	2.3
111.00890	1.5
113.02455	1.3
119.03529	0.7
119.05035	0.7
121.02971	100.0
122.03783	16.6
124.01670	0.8
125.02475	4.2
134.03752	1.2
135.00911	1.2
135.04552	7.3
137.02473	1.7
137.06085	1.6
143.03520	2.2
152.01155	1.2
153.01860	0.8
154.02730	0.9
160.01666	1.0
160.04056	0.8
163.04121	1.8
165.05656	0.7
165.07939	1.7
174.85976	0.4
175.04031	1.3
175.47537	0.3
177.05679	0.5
178.08725	5.3
179.09143	2.0
180.10323	63.1
181.10660	1.6
193.05074	1.5
205.05034	0.5
243.06625	6.9
244.07008	4.5
250.10866	0.6
255.02980	1.2
283.02441	1.5
285.04028	1.5
306.09735	0.4
306.13416	1.5
324.14655	0.5
337.09201	0.9
349.09341	0.4
357.99612	0.5
367.10379	0.9
405.11914	2.1
406.12283	3.4
406.20718	0.4
428.16846	0.6
468.18756	0.9
515.28412	1.0
528.43579	0.4
532.22839	1.1
551.12286	0.5
552.66779	0.4
567.30768	0.5
590.22467	3.0
651.37244	0.5
694.34009	0.7
712.25989	0.9
712.37537	0.8
713.16724	0.6
730.41205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12311	1.9
55.01860	2.7
59.01389	22.9
61.98825	3.4
62.48958	2.0
69.03467	2.5
71.01380	10.1
73.02979	2.5
81.03465	8.1
81.61691	1.9
83.05010	5.0
83.37276	2.1
85.02974	6.1
87.00871	3.6
89.02457	4.9
97.02962	9.1
101.02462	8.5
104.35024	2.0
109.06598	42.5
110.03754	3.5
113.02440	3.4
125.02461	2.6
125.09742	8.7
135.08165	7.8
161.04581	2.2
161.09676	4.7
163.11292	23.6
171.10219	2.5
181.12355	6.6
185.11859	3.3
187.09737	4.7
189.09210	3.8
207.10272	100.0
208.10567	5.2
209.11894	13.3
223.09776	3.1
225.11356	55.6
253.09302	9.0
260.66406	2.1
261.11237	2.1
263.12784	3.4
353.21310	2.4
371.22522	2.7
379.19376	2.4
389.19540	4.0
392.12476	2.7
397.20227	8.6
415.21259	16.9
433.22406	4.1
461.20560	13.5
489.25360	2.4
597.28802	3.2
607.27472	14.2
623.30219	3.5
625.28552	29.4
633.29401	15.4
634.46564	2.3
651.30267	60.4
652.30707	6.8
669.31323	37.6
670.31958	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	713.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.5
59.01381	20.4
59.73607	1.2
61.98828	5.3
67.01896	1.4
69.03406	1.4
69.14804	8.1
69.78130	1.3
71.01385	17.1
73.02968	3.1
77.28723	1.2
78.91879	2.2
83.01398	2.8
84.94373	1.4
85.02968	7.0
87.00893	2.1
89.02441	9.6
92.57069	1.2
93.03448	1.2
95.01408	1.3
95.36548	1.4
101.02466	8.6
102.29390	1.3
108.02204	2.2
109.02942	9.1
111.00897	18.1
113.02469	6.5
119.03496	3.1
119.05015	2.7
121.02962	19.5
122.03313	3.0
123.00824	1.6
124.01687	1.6
125.02422	1.4
128.08762	1.3
132.02203	12.6
133.02963	4.3
134.03766	27.6
135.04584	2.0
136.01669	8.9
142.51218	1.3
145.02940	2.1
146.03798	1.6
147.04544	2.9
148.39366	1.3
149.02495	1.6
149.06084	4.7
150.03214	9.3
151.04012	10.9
159.04488	1.7
159.54510	1.3
160.01675	62.2
161.02345	2.4
161.04579	2.4
161.06084	2.3
163.04005	1.8
165.05611	7.2
171.04552	1.7
172.05315	2.3
175.04018	90.8
176.04761	6.9
178.02760	2.9
180.10315	3.0
190.06409	2.5
191.07146	7.3
193.05057	19.6
195.06682	6.3
199.58348	1.2
231.32558	1.4
251.07147	2.7
255.02917	3.0
267.06604	5.0
278.05969	1.4
279.06717	8.4
282.09027	3.5
283.02472	6.3
284.03220	1.9
285.04086	6.3
292.53943	1.4
294.08945	4.3
297.08182	1.5
297.11465	5.6
312.10114	13.0
313.10718	3.1
322.06680	1.5
327.12393	34.6
328.12869	1.8
337.09302	100.0
338.09650	4.8
338.33398	1.5
343.11920	4.9
345.13309	1.7
357.13504	2.6
431.09918	2.7
515.28644	59.5
520.68945	1.3
551.19513	2.7
569.31653	1.6
589.19318	6.8
593.20251	1.3
618.12964	1.4
653.39764	2.1
677.16931	3.5
695.23621	38.7
696.23785	4.7
713.25989	2.2
713.31708	2.1
713.48230	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	713.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.0
59.01381	11.5
69.83942	2.6
71.01385	4.4
81.03455	18.7
89.02435	5.5
93.03471	2.8
94.56942	0.7
95.01315	0.8
95.05021	1.1
99.04515	13.5
101.02461	3.9
105.03517	0.8
113.02501	2.0
119.03489	2.1
121.02972	9.7
122.03746	12.7
123.43260	0.8
132.02159	1.3
133.02934	1.7
134.03772	1.0
135.04535	1.9
137.06145	0.7
137.65981	0.7
139.03998	1.3
146.79459	1.1
147.04575	1.2
149.02448	59.4
150.03235	80.9
151.03656	1.2
162.03226	2.3
163.04012	3.2
164.04805	16.2
165.05576	100.0
166.05960	1.7
175.03998	0.8
177.03986	0.9
177.05600	2.5
178.06381	1.7
179.05624	2.1
180.04295	6.2
191.03587	0.9
193.05045	1.6
193.08658	0.9
195.06630	77.7
196.07095	1.5
211.04033	0.8
227.03436	1.0
255.02997	13.7
263.09229	2.7
264.09772	0.9
265.44995	0.8
278.11661	4.1
283.02484	26.2
284.02832	1.9
285.04037	5.9
293.13953	15.9
344.12747	3.9
359.15009	18.3
360.15228	1.2
407.17221	10.8
426.16888	8.0
430.09042	8.3
431.09506	3.8
441.19180	76.3
442.19247	4.5
489.21378	5.2
509.79910	0.8
531.11438	1.8
581.22046	1.5
626.61340	0.9
677.17249	15.8
678.17297	2.2
680.33466	0.8
685.39630	1.8
713.26831	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	713.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42538	0.3
59.01385	2.5
61.86301	0.3
67.01917	1.1
69.30748	1.3
69.31157	0.7
71.01398	1.0
77.14499	0.3
81.03461	0.9
85.02995	0.6
88.75687	0.4
89.02473	1.1
93.03475	2.8
95.05024	0.4
99.04522	2.4
101.02483	0.6
105.03517	0.4
111.00895	6.4
119.03512	0.7
121.02971	5.6
122.03773	11.8
124.52341	0.3
125.02455	0.4
133.02975	1.3
134.03743	0.8
135.04521	1.0
136.01689	1.0
137.02444	0.4
149.01266	0.8
149.02463	14.0
150.03241	79.3
151.03674	1.5
160.01695	1.1
160.13469	0.4
163.04010	1.4
164.04819	3.4
165.05585	87.4
166.05943	1.7
175.04053	1.0
180.04288	5.1
195.06642	100.0
196.07025	2.8
263.09274	1.1
278.11612	0.7
288.73419	0.3
293.13943	3.2
303.00500	0.4
327.12549	0.5
337.09296	2.2
338.59500	0.5
359.15054	1.7
361.24585	0.4
369.26837	0.4
407.17206	2.8
441.19232	3.2
489.21332	1.0
515.28577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03453	1.1
59.01383	100.0
61.98835	9.8
63.95975	0.6
71.01385	13.2
72.72813	0.5
73.02952	6.6
78.56236	0.5
83.01399	2.9
85.02956	7.0
87.00896	1.8
89.02464	3.3
95.01398	1.2
99.00905	1.9
101.02455	12.4
111.00910	2.1
113.02464	7.6
116.92883	1.0
119.03519	1.2
121.02982	0.8
129.01941	0.8
143.03517	1.1
147.15137	0.6
159.03020	0.7
161.04573	4.8
162.90974	0.6
447.27582	1.5
534.25391	0.7
569.31232	0.7
608.60052	0.8
609.32825	46.7
610.32983	3.4
613.09039	0.6
627.33862	6.0
632.21320	0.7
635.38171	3.2
653.39111	1.9
669.35059	8.9
713.37671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01382	11.1
60.12782	1.4
61.98823	3.7
64.67883	1.3
71.01385	4.2
71.44770	1.3
73.02934	2.1
83.05025	3.6
87.00876	2.2
89.02452	3.1
97.06587	2.7
98.33739	1.1
101.02438	4.3
103.01478	1.9
103.86662	1.3
107.05045	2.7
109.06616	1.2
113.02457	3.1
119.03499	1.9
119.95169	1.1
125.09738	3.1
127.11271	1.8
135.08157	2.6
151.11324	1.6
153.09224	4.4
161.04611	1.5
163.11230	3.8
169.12373	6.5
171.10281	100.0
172.10585	2.5
176.08501	1.6
178.09970	1.7
185.11795	2.6
191.10776	3.0
197.11816	9.4
198.24020	1.3
207.10315	4.0
209.11842	44.9
210.12097	2.7
213.11189	1.2
217.12358	1.2
225.11336	2.5
235.08220	4.4
236.10620	1.4
253.09261	7.1
261.18539	2.0
269.15311	1.5
269.75922	1.1
277.18292	1.3
281.17505	1.4
287.16498	5.8
304.88333	1.1
305.17603	37.9
305.21109	2.1
306.17917	3.0
323.18564	6.1
407.19342	3.5
449.20618	1.5
523.25488	4.1
541.26544	13.2
615.30072	2.8
695.36249	21.5
695.47058	1.9
696.37024	2.3
713.37604	13.6
714.38202	2.2
721.98907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
67.14325	0.4
72.74881	0.4
121.02945	1.2
133.92839	0.5
165.05533	0.6
166.05710	0.5
195.06711	0.5
209.04536	0.8
225.16090	0.5
229.62953	0.5
401.16220	0.5
677.49573	3.4
713.47443	100.0
714.47638	12.0
714.60217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48432	0.4
59.01382	7.2
61.98835	23.2
65.00353	0.8
71.01389	3.9
71.45350	0.5
73.02974	0.5
83.01434	0.5
85.02984	0.8
86.98881	0.4
87.00888	0.6
89.02431	3.0
99.00924	0.4
101.02456	1.7
107.01455	0.4
109.02993	0.5
111.00890	1.2
113.02467	1.4
119.03516	1.6
130.30191	0.4
131.03488	0.4
143.03543	0.4
147.00844	0.5
151.00417	3.3
156.86140	0.4
160.01671	0.4
161.04559	1.4
175.04074	0.7
178.99939	0.7
179.05612	3.4
180.06087	0.4
183.04492	0.5
199.03979	2.2
201.01976	0.6
211.04124	0.4
215.03444	1.0
218.67229	0.4
221.06651	1.8
226.02838	0.6
227.03584	1.9
242.02153	0.8
243.02942	3.3
255.02954	1.5
263.07736	1.4
264.08029	0.5
271.02490	44.6
272.02866	2.2
299.01984	100.0
300.02496	7.0
301.03537	5.1
327.12216	0.5
402.69778	0.4
417.08325	0.9
445.07724	2.7
446.08569	33.3
447.09198	3.7
505.09842	4.3
506.09802	0.5
591.13562	1.0
609.14081	0.9
636.29535	0.4
651.15704	87.6
652.16095	8.2
714.49713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12721	0.2
59.01379	0.9
61.98834	100.0
69.37010	0.7
69.37419	0.4
71.01389	0.5
72.99314	0.4
85.02976	0.2
88.98827	0.3
89.02463	0.3
97.06631	0.3
98.21886	0.4
101.02402	0.3
111.00228	0.2
111.00873	1.1
113.02450	0.3
121.02998	0.7
125.06084	1.1
126.06484	0.3
143.07138	4.2
144.07542	0.5
151.00362	0.2
160.04057	0.4
161.89806	0.3
183.04509	0.3
227.03535	0.7
255.02968	4.5
256.03519	0.4
271.02618	0.3
283.02499	12.4
284.03101	1.4
285.03992	3.1
299.02161	1.0
301.03583	0.5
343.14679	0.3
386.65640	0.2
405.66061	0.2
429.08542	0.2
446.08572	3.4
447.09131	0.5
489.10431	5.6
490.10953	0.4
531.11578	0.5
553.23022	0.4
651.04620	0.5
651.15662	8.7
652.16467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10051	0.2
55.06475	0.2
59.01383	0.7
60.49411	0.2
61.98836	100.0
67.01915	0.4
67.14067	0.2
69.09926	0.4
69.10328	1.0
71.01392	0.6
72.99342	0.4
89.48360	0.2
101.02448	0.2
110.61184	0.2
111.00900	5.5
117.93432	0.2
121.03020	0.7
124.19572	0.2
125.06142	0.8
143.07164	2.8
144.07491	0.4
149.66998	0.2
151.00366	0.4
160.04063	0.7
164.72775	0.2
179.46632	0.2
181.08699	0.3
211.04338	0.3
227.03571	0.5
255.03003	4.9
269.04700	0.3
271.02594	0.3
283.02515	9.5
284.03140	1.6
285.04120	3.1
299.01889	0.5
301.03723	0.3
446.08557	2.4
447.09387	0.7
489.10461	5.0
489.17068	0.4
490.11243	0.3
531.11560	0.5
553.22876	0.4
639.03790	0.3
651.04785	0.4
651.15698	7.6
652.16718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98824	0.4
67.01894	8.9
69.56684	0.3
69.57072	0.3
71.01389	0.2
83.01411	0.2
85.02957	5.6
85.46777	0.1
111.00889	100.0
112.01223	1.2
113.02497	0.1
121.02960	4.2
122.03300	0.6
126.67488	0.1
129.01932	0.8
135.04488	0.1
138.15538	0.1
168.00986	0.1
180.10329	0.1
213.69647	0.1
245.11343	0.1
275.32001	0.1
448.23325	0.4
455.03870	0.1
628.82849	0.2
714.31403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51081	2.4
58.00882	2.3
58.91837	2.3
59.01388	17.3
61.98835	12.6
69.34002	8.4
71.01398	7.3
72.16969	2.3
74.86672	2.5
76.04639	2.5
80.02652	2.8
81.03462	2.4
83.05016	6.9
89.02435	3.8
97.02989	6.3
101.02470	7.7
109.06614	25.1
110.03835	2.7
112.11553	2.4
113.02530	3.2
117.82764	2.3
125.09726	2.8
135.08188	5.3
151.46725	2.3
161.09793	3.0
163.11295	17.7
171.10298	6.4
185.11749	3.4
199.12463	2.7
207.10283	58.1
209.11862	100.0
225.11363	30.1
227.12897	13.6
235.08276	4.6
253.09387	10.7
399.21808	10.3
417.22815	6.7
431.48273	2.8
443.19196	4.6
461.20297	9.0
635.31335	12.1
650.36121	2.5
653.31775	13.5
671.32721	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	715.356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90763	3.0
59.01386	100.0
59.50644	2.9
61.98835	36.9
69.43462	13.3
71.01387	42.6
73.02946	8.5
78.36868	3.1
82.95428	3.5
85.02950	15.1
89.02447	24.2
95.01408	5.4
96.95981	6.3
97.02930	4.1
101.02438	17.3
101.20374	3.0
108.03434	3.5
111.00877	9.6
111.01591	3.8
113.02472	18.9
119.03479	8.6
125.02477	5.5
133.07561	2.9
137.02437	5.0
143.03552	4.3
161.04610	4.6
171.10295	21.5
179.05725	5.2
209.11848	13.1
221.87469	3.1
307.19211	7.3
342.75977	3.1
467.30328	3.5
575.31293	3.7
611.34332	55.9
612.34839	7.5
629.35529	50.0
630.36096	4.2
671.37268	12.4
679.41644	7.4
730.39240	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	715.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33290	0.8
58.59061	0.9
59.01383	5.8
59.16477	0.8
61.98825	3.0
70.86162	1.0
71.01388	5.1
73.02932	0.9
74.42253	0.9
80.02688	0.8
83.05029	2.4
85.02953	1.4
87.00883	1.2
89.02446	2.6
97.02959	0.8
98.21970	0.8
99.08160	1.2
100.04973	0.8
101.02430	3.8
103.06544	0.8
105.38320	0.8
108.98120	0.7
113.02505	1.7
115.07684	0.9
119.64104	0.8
123.04482	0.8
125.09747	3.7
127.07699	1.8
127.11263	2.1
135.08197	1.0
153.09230	9.7
161.04573	1.5
162.06721	0.7
163.11301	2.0
165.12775	1.3
171.10284	100.0
178.10007	1.3
185.11858	1.9
191.10710	0.8
197.11812	3.6
209.11853	22.0
224.18735	0.8
235.08258	3.2
236.10895	0.8
238.12138	1.1
245.19138	1.4
253.09244	6.3
289.18082	7.5
307.19174	31.1
308.19403	1.4
325.20245	15.3
328.28146	0.9
407.19269	1.7
408.40302	1.1
467.77097	0.9
525.26758	2.9
543.28369	7.5
561.28992	2.7
611.12238	0.9
628.30591	2.2
697.38428	6.7
715.39319	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	715.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
76.34088	5.5
84.14950	4.3
84.34242	4.9
101.02449	4.5
179.10802	9.0
182.44821	4.4
197.11868	47.1
201.24832	4.6
203.36920	4.8
255.23328	98.5
256.23621	6.8
715.42657	100.0
716.42847	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	716.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48415	1.2
57.03451	1.5
59.01384	57.3
61.98843	1.6
69.12499	8.2
71.01392	26.0
73.02955	2.6
80.31158	1.3
83.01376	1.9
85.02966	6.9
89.02459	25.4
95.01378	2.9
98.21899	3.2
101.02459	19.5
106.06619	4.4
111.00887	2.5
113.02468	9.7
119.03538	9.1
122.06084	3.2
132.04541	2.2
134.06131	36.7
152.07170	8.5
158.02443	2.1
179.95451	1.3
190.05104	8.5
192.06737	2.5
205.46625	1.3
213.10347	4.9
222.07974	1.8
225.06673	1.7
225.10333	2.6
237.10378	14.0
238.07281	2.1
239.08350	2.6
242.33591	1.3
250.07552	2.6
251.08282	5.0
252.05432	3.0
253.09778	6.2
263.08234	1.8
265.06140	6.2
265.09723	3.3
266.06915	14.1
278.06931	5.5
279.07846	2.6
280.08575	3.9
281.09329	72.4
282.09708	2.4
291.49762	1.5
293.09348	33.3
294.09842	2.0
313.12003	13.9
314.12393	4.9
337.12219	2.5
338.12659	1.5
384.16901	1.9
400.16763	2.8
428.16180	5.8
460.18912	1.7
517.17993	1.8
564.23547	2.8
580.22668	1.5
608.22577	80.7
609.23016	5.1
640.25140	45.7
641.25012	1.6
652.21594	18.3
653.22290	2.6
672.29285	1.7
682.52966	1.5
684.24133	100.0
685.24207	8.0
716.26837	63.7
717.27252	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	716.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45118	0.2
59.01378	0.3
61.98832	0.4
66.14817	0.2
66.50519	0.2
67.01895	8.1
69.26418	1.0
80.65311	0.2
80.97449	0.2
83.31544	0.2
85.02955	2.9
96.30997	0.2
97.54090	0.2
111.00892	100.0
111.53514	0.2
112.01251	1.2
120.01240	0.4
121.02964	2.9
129.01952	0.5
144.93927	0.2
148.71751	0.2
150.03337	0.2
151.09671	0.2
209.84819	0.2
238.14420	0.2
334.51715	0.2
374.19565	0.3
608.23328	0.2
716.28137	0.2
721.01361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42475	0.1
53.99714	0.1
59.01376	0.3
59.59053	0.1
61.98836	100.0
64.56105	0.1
69.93599	0.4
69.93950	0.2
81.70584	0.2
86.70148	0.1
87.14413	0.1
89.07878	0.1
112.16141	0.1
116.92818	0.1
123.70650	0.1
138.53722	0.1
255.03827	0.1
323.04944	0.1
398.14218	0.2
399.14093	0.2
400.14368	0.2
577.27069	0.2
614.19928	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15542	0.3
59.01388	0.6
61.98835	100.0
71.59195	0.3
72.15240	0.3
89.02473	0.4
90.98605	0.3
119.07826	0.3
156.22662	0.4
200.33194	0.3
293.92136	0.3
314.80298	0.3
367.18900	0.4
397.13589	0.4
625.35571	0.3
651.72168	0.4
716.43756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81168	0.5
55.01877	0.5
59.01380	5.2
59.44294	0.4
61.98835	3.3
62.89644	0.5
64.64169	0.5
65.00342	0.8
65.74991	0.5
71.01385	0.9
71.45190	0.5
83.01407	0.6
85.02961	0.8
88.72199	0.5
93.03503	0.6
101.02461	0.7
107.01377	0.9
117.03463	1.2
151.00404	1.8
155.05034	1.1
159.04523	1.4
171.10307	0.9
182.03784	0.8
183.04526	5.0
185.02428	0.6
197.11871	1.1
207.10313	1.0
209.11874	1.1
211.04077	3.8
225.11346	1.5
226.02771	0.7
227.03528	2.5
255.03001	49.9
256.03439	2.2
273.16946	0.5
283.02496	100.0
284.02863	4.4
285.04089	5.0
289.51251	0.5
304.98483	0.5
367.06732	0.7
485.25925	0.5
499.08795	2.7
500.09647	51.1
501.10132	7.0
565.12518	0.5
657.14880	0.8
676.31665	0.6
685.30975	1.0
717.16803	23.7
717.35699	1.1
718.17279	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67764	0.4
59.01382	4.0
61.98827	2.7
65.00340	0.8
69.51302	2.2
71.01402	1.2
73.22421	0.5
83.05023	0.6
88.17184	0.6
100.17301	0.5
101.02477	0.6
107.01406	1.1
117.03486	2.3
122.57106	0.5
128.03738	0.5
135.00882	0.8
151.00381	1.6
154.44139	0.5
155.05077	0.8
159.04550	1.2
160.00621	0.5
171.04453	0.6
171.10254	0.9
181.12401	0.6
183.04512	6.3
202.44072	0.5
207.10277	2.1
207.52347	0.5
209.11867	3.9
210.12085	0.8
211.03987	2.9
225.11440	1.4
227.03546	3.8
253.09236	0.6
255.03014	49.8
256.03369	1.9
283.02505	100.0
284.02811	3.7
285.04156	5.8
386.98312	0.6
398.81561	0.5
458.08469	6.7
461.20563	0.8
499.08990	2.2
500.09653	46.6
501.10086	5.1
671.32971	1.1
717.16791	25.5
718.16998	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03446	1.3
58.00586	1.4
59.01383	100.0
61.98825	4.7
69.29771	4.9
71.01386	53.1
72.99306	2.1
73.02967	1.9
78.95898	1.0
82.14024	0.8
83.01387	2.1
85.02952	9.7
87.00881	4.2
88.98822	2.3
89.02451	71.7
90.02818	1.4
93.03487	1.0
95.01395	3.3
100.31485	0.8
101.02451	34.3
108.02180	1.9
111.00881	2.0
113.02459	21.3
114.02834	0.9
119.03514	33.3
121.02966	4.2
122.03740	4.1
123.04530	1.1
131.03514	3.9
133.02927	1.2
135.04565	1.6
136.01642	0.9
143.03528	6.2
145.02998	1.1
149.02466	15.1
149.04561	3.3
150.03232	24.1
151.03723	0.8
160.04063	1.4
161.02437	1.4
161.04581	5.8
162.03230	4.2
163.03961	1.3
163.54115	0.8
164.04808	2.5
165.05580	19.3
167.03481	1.0
175.04048	0.9
177.05580	2.9
179.05605	14.9
179.07162	1.2
180.04317	1.7
193.05058	2.0
195.06657	11.9
200.45781	0.7
213.11353	1.5
233.10406	1.0
269.08047	0.8
271.02417	1.4
283.09860	5.2
299.01950	1.7
311.09229	10.9
312.09464	1.4
314.11630	1.3
326.11548	9.7
327.12360	1.2
329.13821	1.9
341.13959	14.5
474.16949	2.4
489.19171	24.9
490.19443	3.8
519.19586	1.0
681.37030	1.3
717.27057	8.5
718.28064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.5
59.01389	68.0
61.98844	33.5
62.33858	4.2
68.66345	3.8
71.01397	62.1
73.02926	5.4
73.39909	4.2
75.69174	4.1
82.69761	4.7
82.95406	4.5
83.01398	4.5
85.02957	12.6
87.00911	4.8
88.04058	26.0
89.02461	22.3
95.01408	4.3
101.02441	21.6
113.02465	13.4
115.00364	10.4
116.92855	5.2
119.03480	6.3
121.02978	41.6
134.03738	6.7
166.02667	11.8
175.04037	5.3
175.62817	4.4
177.02179	5.3
181.05034	13.6
193.04982	4.8
210.15031	5.6
211.13394	8.2
345.83914	4.4
417.15674	20.1
501.30353	6.9
519.31738	76.3
580.43323	4.9
602.35541	18.3
717.38251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98842	34.8
71.01381	25.7
73.02969	6.7
81.51786	6.9
85.02940	9.8
89.02489	13.0
96.96019	7.3
101.02448	9.7
121.02944	31.8
140.21219	7.4
316.92035	7.6
440.93103	7.1
519.31543	36.0
625.64789	8.3
717.36639	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	717.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	9.7
61.98834	5.4
66.25078	0.5
67.01897	9.8
71.01386	4.0
71.04401	0.5
73.02933	1.2
74.54001	0.5
80.70776	0.5
81.72395	0.5
85.02961	10.9
87.00892	0.7
89.02471	3.0
95.01437	0.5
96.96014	0.7
99.00890	0.5
101.02465	3.7
109.06548	0.7
111.00894	100.0
112.01239	1.5
113.02464	1.8
116.92858	0.7
119.03479	0.7
121.03020	2.4
125.09763	1.4
127.07680	0.9
129.01958	9.4
153.09239	1.7
159.11809	1.7
161.04556	1.2
161.05855	0.5
161.13409	0.8
163.11311	0.6
171.10286	5.3
177.09230	0.8
185.11823	0.8
197.11935	0.7
203.10738	3.0
205.12379	0.5
209.11829	4.4
245.19060	0.5
253.09322	6.2
289.18207	3.2
303.74417	0.6
307.19196	12.8
325.20267	5.8
331.22812	2.8
357.20731	4.4
375.21866	1.7
391.42801	0.5
430.66724	0.5
433.94672	0.5
474.21207	1.7
543.28192	10.3
561.29175	4.2
593.29883	2.2
611.31000	2.1
617.13800	0.6
655.29883	2.1
663.37726	0.7
673.30658	6.3
681.38721	1.5
716.44513	0.7
717.36005	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	718.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78985	2.4
58.97503	2.1
59.01388	12.6
61.98833	23.2
69.72275	5.1
86.98310	2.2
98.22660	4.3
99.25438	2.2
107.01392	3.1
109.06617	3.5
111.00909	5.1
117.03429	3.0
131.53258	2.4
134.48013	2.6
151.00365	7.7
183.04495	6.2
184.05035	2.4
207.10283	10.3
209.11830	19.3
211.04004	3.3
219.59941	2.4
225.11334	5.7
227.03619	3.3
252.51863	2.8
255.02992	53.7
256.03342	39.3
257.03818	2.4
283.02499	100.0
284.02878	77.6
285.03876	13.1
286.04498	3.8
459.08719	4.8
462.02072	2.5
500.09583	24.7
501.10007	65.6
502.10300	9.2
543.82068	3.1
557.13000	20.1
635.31183	2.5
653.31409	2.6
671.32831	3.2
718.17175	42.4
719.17993	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	718.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09009	0.6
57.03460	1.4
59.01386	44.7
61.98821	2.1
69.03454	2.0
69.23106	4.7
71.01389	30.5
72.99312	1.5
73.02953	4.9
75.00854	1.1
81.03460	1.8
83.01398	3.1
85.02956	5.8
87.00869	6.0
89.02453	25.2
89.03011	1.2
95.01415	1.7
97.02945	4.1
98.64375	0.7
99.00909	1.0
101.01791	1.5
101.02451	23.5
105.62024	0.6
107.20674	0.7
107.62085	0.7
111.04505	0.8
113.02451	10.4
119.03519	8.3
125.02454	8.8
131.03500	1.2
133.05052	1.4
141.01970	0.8
142.77438	0.7
143.03468	3.5
149.04576	1.2
161.04565	5.4
167.03499	1.0
179.05620	6.0
199.06126	1.1
217.07184	0.7
221.06654	1.7
235.08211	13.5
253.09373	3.9
277.21750	78.1
278.22113	3.4
278.47748	0.8
287.07751	3.3
292.62665	0.8
305.05679	0.8
305.08716	3.9
323.09763	1.3
379.12396	0.8
397.13522	100.0
398.13828	3.7
415.14600	36.0
416.14893	1.0
675.36243	1.7
727.25610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.7
57.03450	0.9
58.65245	0.7
59.01387	50.8
61.98830	2.6
69.03456	1.8
71.01392	33.6
72.99322	1.7
73.02952	6.9
81.03487	1.2
83.01389	3.6
85.02945	6.6
87.00880	6.6
89.02456	31.1
91.04003	0.7
94.55392	0.6
95.01402	1.4
97.02941	5.2
99.00863	1.4
101.02454	25.1
111.04512	0.9
113.02470	11.1
119.03517	8.6
125.02457	10.4
125.96029	0.7
131.03526	1.4
133.05096	1.7
143.03497	5.2
149.04634	1.0
161.04585	5.2
179.05637	5.9
183.30354	0.7
185.04539	1.0
215.35324	0.7
217.07056	0.8
221.06610	1.6
221.35536	0.9
235.08241	12.5
253.09380	1.6
256.87018	0.7
263.07669	1.2
277.21750	83.6
278.22055	3.7
287.07761	3.1
305.08725	4.2
323.09772	1.6
379.12210	1.3
397.13528	100.0
398.13931	3.8
415.14590	34.5
416.15201	1.7
675.36102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89404	0.4
57.85269	0.3
59.01384	5.2
61.98833	2.4
65.00346	0.9
69.13269	2.0
71.01390	1.4
81.63010	0.3
83.01384	0.6
85.02987	0.6
88.98793	0.5
89.02470	0.4
93.03494	0.8
96.96024	0.4
100.40039	0.3
100.93993	0.3
101.02452	0.9
107.00789	0.3
107.01441	1.1
111.00864	0.6
113.02502	0.7
117.03487	1.8
121.02991	0.6
129.41039	0.3
135.00966	0.4
136.01741	0.3
142.21800	0.3
142.74022	0.3
151.00392	3.2
152.47321	0.3
152.48814	0.3
154.04327	0.3
155.05066	0.5
159.04514	1.2
167.05051	0.5
171.04434	0.4
173.06085	0.3
182.03679	0.5
183.04529	4.1
185.02493	0.8
189.05557	0.3
199.04065	0.4
211.03989	3.1
227.03482	3.7
229.05051	0.5
255.02995	50.4
256.03442	2.8
256.80905	0.3
257.04398	0.6
283.02493	100.0
284.02945	8.0
285.04065	11.2
286.04486	0.7
315.16708	0.4
359.28537	0.4
360.83676	0.4
429.08194	1.7
430.09061	32.5
431.09579	5.6
471.09064	0.6
472.03296	0.6
472.10120	12.9
473.10727	5.7
474.11301	0.5
513.10382	0.9
515.08386	0.5
515.10815	0.4
519.31714	1.3
521.33582	1.0
531.11548	0.6
573.12512	2.7
599.14087	0.8
659.16162	2.3
677.17340	0.6
718.38348	0.7
719.18329	20.1
719.37982	0.9
720.18701	2.8
742.39679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70636	0.4
59.01392	3.9
61.98846	0.7
63.02419	0.9
75.29523	0.5
86.14772	0.4
93.03498	0.6
107.01398	1.2
117.03481	1.7
135.00943	0.5
151.00372	3.1
154.04269	0.6
155.05133	0.4
159.04515	1.5
167.04984	0.5
171.04590	0.9
173.05986	0.7
175.86647	0.4
182.03819	1.1
183.04536	7.0
185.02551	0.8
185.06041	0.6
187.04070	0.9
196.57159	0.6
197.11797	1.5
199.04117	0.5
209.11842	1.9
211.03983	5.2
226.02640	0.5
227.03528	8.5
229.05042	0.6
255.03008	62.6
256.01157	0.5
256.03424	3.3
283.02502	100.0
284.03070	10.0
285.04071	26.1
286.04416	1.7
357.62927	0.5
429.08188	1.4
485.10986	0.8
489.10474	5.7
513.10364	3.0
514.11194	45.8
515.11908	37.1
515.19922	1.0
516.12335	3.6
659.16791	2.4
677.17133	0.7
687.32379	3.9
719.18365	25.5
720.18878	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	719.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79139	0.3
59.01384	3.7
63.02403	0.6
65.00025	0.4
65.00336	0.9
70.51760	0.7
84.92715	0.3
93.03481	0.5
107.01395	0.8
111.00920	0.3
117.03468	1.4
135.00932	0.6
140.52611	0.4
143.04994	0.5
151.00380	2.1
155.05057	1.0
159.04539	1.2
165.01646	0.4
167.05025	0.6
171.04550	0.6
173.06146	0.4
182.03754	0.8
183.04533	5.9
185.02472	0.8
187.04044	0.5
193.01425	0.5
199.04050	0.5
211.04034	3.5
220.19302	0.4
227.03528	5.7
228.04033	0.5
229.04984	0.4
239.03401	0.4
254.31033	0.5
255.02995	54.3
256.03473	3.3
283.02493	100.0
284.02994	8.5
285.04062	30.0
286.04382	1.7
381.08319	0.5
429.08170	0.7
489.10257	2.5
513.10504	2.6
514.11176	39.0
515.11920	25.8
515.19952	0.7
516.04968	0.5
516.11957	2.1
659.16553	2.5
677.17181	0.6
719.18365	23.7
720.18726	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	719.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98548	0.6
61.98836	8.0
63.02403	0.6
65.00324	0.7
67.38472	0.4
69.00661	0.4
69.31329	2.1
71.01384	0.7
73.38126	0.3
82.95444	0.4
83.01424	0.4
85.02977	0.6
88.74123	0.3
89.02454	0.5
93.03501	0.7
98.22697	0.6
101.77713	0.4
102.15726	0.4
103.94639	0.3
107.01408	1.1
111.00887	1.3
111.47317	0.3
112.01224	0.4
117.03475	1.4
134.03716	0.4
135.00854	0.4
151.00397	2.1
155.05049	0.5
159.04523	1.3
161.04575	0.4
165.09190	0.4
171.04536	0.6
183.04509	4.2
185.02361	0.4
185.06168	0.4
187.03999	0.6
191.05627	0.4
209.91324	0.3
211.04002	3.1
215.03514	0.4
227.03520	3.5
229.05022	0.6
255.03020	48.2
256.03387	2.8
257.04620	0.5
283.02509	100.0
284.02985	6.4
285.04074	14.3
286.04489	0.6
349.07556	0.4
429.08240	0.7
430.09064	27.9
431.09708	5.6
519.31885	0.8
531.11780	0.4
573.12354	4.2
574.13293	0.5
612.44006	0.4
641.35223	0.5
677.17126	0.8
719.18390	44.0
719.36670	2.7
720.18774	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	719.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
61.98833	3.8
63.02424	0.3
65.00330	0.4
68.99839	0.3
69.51601	0.4
69.51997	0.8
71.01385	2.1
72.23435	0.3
72.99342	0.5
82.61755	0.3
83.01389	0.7
85.02993	0.6
87.00896	0.5
88.04037	0.7
88.98808	0.4
89.02468	1.4
90.08162	0.3
93.03475	0.7
101.02469	1.3
107.01402	1.5
111.00880	0.8
113.02430	0.5
117.03453	1.5
117.64090	0.3
119.03503	0.6
121.02971	1.2
135.00984	0.4
145.02971	0.5
151.00366	2.4
155.05086	0.7
159.04553	0.9
169.03001	0.3
169.06638	0.3
171.04584	0.5
182.03673	0.4
183.04538	4.4
184.45757	0.3
185.02443	0.6
187.03932	0.4
193.05049	0.4
211.04057	2.9
211.13391	0.3
213.02068	0.3
213.05580	0.4
227.03481	3.4
228.03902	0.5
243.02983	0.4
255.02998	50.6
256.03445	2.6
257.04706	0.3
282.01569	0.4
283.02496	100.0
284.02945	8.3
285.04050	8.7
286.04425	0.5
401.09311	0.3
429.08347	2.1
430.09073	43.1
431.09659	4.8
451.80515	0.3
471.09509	0.5
489.10175	0.4
503.32349	0.4
513.10590	0.6
519.31854	0.8
520.32117	0.4
521.33362	1.1
531.11401	1.0
573.12518	5.4
617.16168	0.5
659.16144	1.1
677.17389	2.8
678.17267	0.4
683.36243	0.8
718.38641	1.5
719.18311	26.1
719.36871	1.5
720.18561	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	719.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.1
66.44569	3.0
69.46833	8.1
71.01380	3.4
71.16404	2.2
72.30994	2.2
83.12539	1.9
89.02438	6.7
99.69094	2.7
101.96185	2.5
111.16241	2.2
113.02494	2.3
131.14000	2.1
171.55708	2.1
179.05585	4.0
180.91733	2.2
197.00758	2.5
215.03236	5.1
230.44170	2.5
241.52448	2.6
341.10873	25.6
377.08588	100.0
378.08792	3.8
409.25827	2.9
470.63428	2.4
529.82220	2.7
629.23615	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	719.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.1
66.44569	3.0
69.46833	8.1
71.01380	3.4
71.16404	2.2
72.30994	2.2
83.12539	1.9
89.02438	6.7
99.69094	2.7
101.96185	2.5
111.16241	2.2
113.02494	2.3
131.14000	2.1
171.55708	2.1
179.05585	4.0
180.91733	2.2
197.00758	2.5
215.03236	5.1
230.44170	2.5
241.52448	2.6
341.10873	25.6
377.08588	100.0
378.08792	3.8
409.25827	2.9
470.63428	2.4
529.82220	2.7
629.23615	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	719.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98841	1.0
70.57382	1.0
71.01387	1.9
78.64746	0.6
85.02953	5.7
87.00877	1.8
89.02435	1.6
93.03456	3.0
111.00889	1.1
111.04523	1.4
113.02443	0.8
119.05064	0.9
127.04062	0.9
137.58542	0.7
151.49733	0.7
163.04073	1.8
173.04506	1.5
191.05627	100.0
192.06015	2.0
216.16489	0.7
248.09280	0.7
257.06662	0.6
306.06265	0.6
319.61240	0.7
337.09341	21.0
338.09515	1.5
521.20313	1.0
655.21747	0.8
683.25800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63250	0.7
55.01873	1.1
57.03432	1.7
59.01390	8.9
60.88493	0.7
60.95852	0.7
61.98822	2.5
69.03452	3.8
69.11449	5.4
71.01401	6.1
71.05025	2.2
73.02959	1.1
80.02657	1.1
81.03476	1.4
83.01373	2.1
83.05038	6.1
84.02135	1.0
85.02946	1.6
87.00884	0.9
89.02450	3.5
95.01370	1.0
97.06599	1.5
99.00903	1.2
101.01888	0.7
101.02425	4.5
111.00899	2.4
113.02446	2.4
123.08210	1.1
125.06068	1.3
125.09730	2.7
151.00394	1.7
151.11305	2.7
153.12872	2.4
161.04497	0.9
161.09721	3.5
163.11287	4.3
165.12895	1.6
179.10757	7.3
197.11848	71.2
198.12178	2.1
209.11848	58.0
210.12247	2.1
223.09764	2.5
227.12888	5.0
227.40097	0.8
235.08070	1.0
241.10802	4.4
253.09280	3.1
255.02997	7.3
257.04559	1.0
283.02512	15.5
284.03110	2.6
285.04016	5.9
477.19669	2.4
514.11096	4.2
515.11963	8.7
516.12006	1.4
557.13104	0.9
687.32385	100.0
688.32764	8.2
719.18176	2.5
719.35120	22.7
720.35284	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17657	2.6
52.27397	2.3
53.31724	2.5
59.01387	100.0
61.98838	52.1
62.85579	2.7
70.97368	4.4
71.01383	11.9
73.02983	3.9
74.34820	2.3
75.11437	2.3
82.95421	6.2
83.01408	2.7
83.05022	4.8
85.02944	4.3
89.02454	6.5
97.02994	3.0
97.06582	2.7
101.02456	10.6
111.00948	3.9
113.02525	3.4
116.92911	14.1
119.03450	3.2
119.05064	3.4
121.02967	12.5
133.03008	3.4
135.04515	2.7
144.84608	3.1
161.02478	3.1
169.12346	9.6
193.05031	2.7
197.11830	25.1
209.11827	36.9
227.03438	3.9
227.12914	5.8
250.55507	2.7
253.09222	3.3
255.02933	16.8
283.02502	37.8
284.03012	4.9
285.04016	8.2
334.07712	3.0
430.09171	8.3
557.09314	4.8
662.57788	3.4
665.38208	4.5
687.32391	23.4
688.32593	3.3
719.18365	12.3
719.37323	74.1
720.37103	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	720.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61521	0.2
59.01383	100.0
60.01722	0.6
61.98833	4.2
64.37548	0.2
69.23504	1.6
70.84440	0.3
71.01391	1.4
73.02956	0.3
76.71672	0.3
80.91741	0.3
83.01404	0.3
85.02978	0.6
87.00878	0.3
89.02460	0.9
98.22604	0.6
101.02455	0.9
109.02946	0.6
113.01605	0.3
113.02500	0.3
119.03540	0.6
121.02970	16.7
123.00869	0.4
144.08366	0.3
153.01976	0.4
160.04088	0.4
229.05208	0.6
255.03099	0.5
271.21201	0.3
283.02646	0.8
284.03030	0.4
335.22546	0.8
336.22815	0.6
478.20624	0.6
486.14081	0.3
497.27737	1.3
498.28027	2.0
504.94519	0.3
508.19690	0.5
553.81396	0.3
568.21973	2.0
600.24994	1.2
643.70148	0.3
660.26611	0.6
683.39136	0.6
684.39038	2.0
684.58966	0.3
685.40173	0.4
720.40704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01718	0.3
61.98839	0.9
66.77814	0.3
67.01246	0.3
67.28399	0.3
71.01381	0.6
71.86963	0.3
77.49762	0.3
88.98830	1.6
89.02513	0.5
98.21894	0.8
109.96716	0.3
111.36495	0.3
114.05634	0.4
121.02972	38.8
122.03316	0.6
123.00880	0.3
123.66589	0.4
125.80584	0.3
158.93100	0.3
168.54877	0.3
283.02530	0.5
398.88623	0.3
411.03314	0.4
446.18008	0.5
447.38507	0.3
458.16415	0.4
466.56573	0.3
478.21027	1.1
497.28058	0.4
498.28687	0.4
536.19916	0.5
568.21924	3.2
600.25269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97882	0.2
59.01385	100.0
60.01728	0.6
61.08962	0.2
61.12813	0.2
61.98839	2.4
69.23217	1.5
71.01379	0.7
85.02978	0.4
87.00867	0.3
89.02472	0.3
90.34909	0.2
95.11640	0.2
98.22650	0.4
99.00924	0.3
101.02480	0.7
111.00894	0.7
112.01214	0.2
113.02502	0.2
114.98751	0.2
116.83303	0.2
121.02979	5.7
125.09795	0.3
144.96883	0.2
151.20239	0.2
153.13011	0.2
160.04077	0.3
171.10274	0.3
179.10754	0.5
180.11015	0.3
197.11836	0.5
207.10355	0.5
209.11887	0.5
225.11269	0.5
255.03111	1.3
256.03436	1.0
283.02560	2.3
284.02957	2.6
285.04068	0.7
286.04407	0.4
323.84824	0.2
332.43304	0.2
361.03046	0.2
387.40121	0.3
430.09106	0.3
431.09723	1.2
432.10373	0.3
477.32486	0.8
478.32651	1.3
536.22949	0.3
568.25525	1.3
640.37866	0.3
671.15485	0.3
703.32501	0.6
720.18646	1.9
721.19592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	0.9
59.01382	41.0
59.02965	0.8
61.02946	0.8
61.98836	3.2
69.03487	1.2
71.01384	26.4
72.99299	0.8
73.02944	5.8
75.00863	0.9
83.01382	2.4
85.02946	6.4
87.00890	5.3
89.02447	25.6
95.01389	2.2
97.02948	5.6
99.00888	1.7
101.02445	20.9
111.04576	1.2
113.02442	11.4
118.98298	0.8
119.03517	8.1
120.68445	0.8
125.01619	1.0
125.02458	8.8
129.21199	0.8
131.03516	0.9
133.05086	1.4
143.03471	4.7
149.04478	0.8
161.04582	4.5
179.05640	5.5
181.79982	0.9
196.92757	0.9
199.96889	0.7
221.06586	1.8
228.79895	0.8
235.08238	10.8
245.06593	0.8
253.09335	2.6
263.07700	1.6
279.23300	88.2
280.23627	2.8
287.07660	3.6
305.08591	3.8
312.43381	0.9
323.09821	2.0
397.13498	100.0
398.13553	3.9
415.14563	31.6
416.14935	1.3
677.37531	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	720.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51918	0.2
59.01383	0.7
69.08945	0.2
81.03464	3.3
83.05031	8.9
84.43301	0.3
98.21923	0.8
109.02943	2.1
116.44987	0.2
125.07204	0.7
126.22024	0.3
143.08214	0.3
153.01953	3.3
207.15030	1.0
224.17697	1.3
225.16100	8.2
225.18295	0.6
242.18611	0.5
309.21893	0.7
324.26306	0.4
341.29373	0.4
367.26907	0.9
433.31876	0.8
450.34360	0.5
451.32892	5.4
470.34375	0.3
550.43152	1.0
567.45068	0.4
582.60583	0.4
659.48370	1.4
660.26074	0.4
677.49695	100.0
678.50024	6.3
720.28320	2.0
720.50378	0.8
721.28796	0.3
734.56464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1629
Annotation	Quercetin 3-(2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl)(1->6)-glucoside
Peak:m/z	Relative Intensity
51.55212	0.3
59.01381	7.7
61.98832	4.5
65.00349	0.8
65.22726	0.3
71.01369	0.9
83.01372	0.4
85.02984	0.5
87.00894	0.3
88.98830	1.1
89.02454	1.0
90.79269	0.3
104.40648	0.3
107.01388	1.8
109.02966	1.1
111.00946	0.5
113.02449	0.5
121.02957	1.9
133.02991	1.1
135.00888	0.4
151.00386	6.1
155.05019	0.4
157.03018	0.5
171.04532	1.4
175.00475	0.7
175.04036	1.5
187.04005	0.6
197.02489	0.4
199.04057	4.3
201.01964	1.5
203.03481	0.6
215.03525	2.4
226.02724	1.0
227.03525	4.2
242.02283	0.7
243.02959	5.2
255.02975	2.2
270.01743	0.4
271.02490	58.0
272.02881	2.0
283.02521	0.8
299.01974	100.0
300.02628	10.6
301.03522	18.9
302.03854	0.6
307.04608	0.7
367.06671	1.3
395.06042	0.8
410.42548	0.4
457.07620	0.7
474.07996	0.7
475.08804	0.9
505.09885	0.6
515.08423	0.8
516.09082	26.6
517.09833	22.1
517.17828	0.7
518.10236	1.3
521.32617	0.4
545.72296	0.4
661.13635	1.0
679.15198	1.4
685.40247	1.1
721.16241	46.5
722.16595	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	721.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06055	0.7
59.01385	18.4
61.98837	14.0
61.99134	1.0
67.01919	0.8
69.07224	5.7
71.01385	4.9
73.02958	1.8
73.08163	0.8
75.00893	0.7
83.01412	0.8
85.02978	1.7
87.00906	1.4
88.98814	1.5
89.02475	2.4
92.27434	0.8
92.29104	0.7
96.96043	1.7
98.21867	1.5
99.00869	1.2
101.02468	2.3
107.01439	0.7
111.00870	3.6
113.02495	1.6
116.92899	1.5
119.05068	0.8
121.02999	1.7
131.03569	0.8
133.02983	1.1
134.03729	0.8
142.57259	0.7
143.05095	0.8
151.00400	2.6
160.01653	1.3
161.04535	1.0
163.04007	1.0
171.10260	1.3
175.04041	2.1
178.59764	0.8
179.03349	0.7
179.05589	1.1
196.34143	0.9
199.04010	4.8
201.02034	1.6
209.11742	1.5
215.03578	1.8
225.11414	0.9
227.03522	4.3
243.02950	4.6
255.02950	1.7
271.02499	58.8
272.02951	1.8
284.03357	1.2
285.03796	1.2
299.02002	100.0
300.02643	7.7
301.03571	1.3
305.17548	1.0
350.03433	0.8
365.34598	0.9
421.88611	0.8
461.07452	1.1
462.08093	47.5
463.08289	1.6
499.08572	1.1
521.33258	1.6
544.26813	0.9
559.10992	12.1
679.15179	2.8
685.37360	3.1
703.32043	1.4
720.76038	0.8
721.16174	36.0
721.36353	2.6
722.16205	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	721.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69852	0.6
54.41301	0.6
56.52134	0.6
59.01375	1.2
59.42998	0.6
61.98822	0.6
69.92011	1.9
71.01398	1.1
74.87655	0.6
83.05064	0.8
85.02953	6.9
87.00840	1.1
93.03468	3.2
98.22655	0.7
106.18328	0.7
109.02924	1.0
111.04543	0.8
127.04034	1.9
133.02972	1.0
135.04517	1.2
161.02458	2.1
173.04541	1.1
179.03464	1.2
188.37209	0.8
191.05627	100.0
192.05968	2.5
213.27914	0.7
239.05757	0.9
275.62167	0.7
279.35654	0.7
338.14005	0.7
353.08771	16.6
354.09546	1.0
539.15979	0.7
670.88666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59899	6.0
59.01377	21.5
61.98832	100.0
78.95914	15.4
107.95618	8.5
113.02518	8.0
143.07130	48.2
151.32599	8.0
171.10283	75.8
181.08658	10.6
209.11864	30.5
225.11276	13.4
235.08130	10.3
253.09216	17.0
277.14362	20.4
305.17770	44.4
323.18716	8.9
408.28006	7.5
541.26703	18.3
587.26678	14.7
667.33411	69.1
685.34192	13.9
689.33838	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	721.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
56.94845	1.1
57.03449	3.1
59.01385	42.8
61.98834	9.4
69.03464	3.1
69.07316	3.1
69.07713	4.9
71.01392	24.2
73.02943	3.8
75.00857	1.3
76.24259	1.0
80.02689	2.6
81.03486	2.3
83.01380	2.8
83.05031	9.9
85.02966	5.4
87.00880	3.6
89.02455	21.7
95.01410	1.9
95.05047	2.5
97.02976	3.6
97.06583	2.4
98.22609	3.3
99.00875	2.5
101.02451	18.0
106.81435	1.2
107.05048	8.0
109.02974	1.1
109.06600	4.2
110.03788	1.9
111.00896	2.0
113.02457	8.6
119.03501	4.4
121.02937	1.5
123.08179	1.7
125.02443	5.1
125.06059	2.2
125.09728	5.8
131.03485	1.4
133.02965	1.4
135.08191	5.9
143.03535	2.5
153.09233	10.9
161.04549	3.6
163.11311	9.2
165.12845	3.0
171.10213	3.0
176.08392	2.5
177.09148	1.0
178.10031	3.2
179.05617	5.2
181.12366	1.8
185.11838	3.0
191.10739	3.2
197.11830	17.0
207.10287	8.3
209.11845	98.9
210.12239	2.6
225.11359	6.7
235.08281	4.4
236.10580	2.6
243.17549	2.5
245.15498	2.4
256.03333	1.5
261.18640	5.2
263.16455	1.2
277.18112	1.8
279.19531	2.2
287.16562	14.8
305.17596	100.0
306.17999	4.7
323.18695	30.2
379.21643	1.3
391.00363	1.2
397.13464	26.9
415.14600	22.3
623.25769	3.5
629.74280	1.3
631.31024	1.2
685.30609	2.1
703.31866	62.4
704.32037	4.7
721.19794	2.4
721.32458	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	721.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78022	0.6
57.03442	1.6
59.01384	11.3
60.08558	0.6
61.98835	6.3
70.92166	1.3
71.01384	5.2
71.05041	3.3
73.02933	1.2
75.00894	0.6
80.02673	0.9
81.03484	1.0
83.01382	1.1
83.05022	3.3
85.02975	1.7
87.00887	0.8
89.02485	3.3
95.01409	1.0
95.05043	0.9
96.96019	0.8
97.02949	3.1
97.06609	2.8
99.00889	19.5
101.02444	4.3
108.04870	0.5
109.06598	0.9
110.03755	1.1
113.02460	2.9
119.03483	0.9
121.14659	0.6
123.08156	1.3
125.09736	7.8
135.08221	0.8
139.07869	0.6
153.12898	0.7
161.04637	1.3
161.09711	0.6
163.11295	12.3
165.12814	1.4
171.10286	1.2
181.12354	16.1
183.52104	0.6
191.10776	0.8
197.11783	0.8
199.13376	9.7
207.10289	23.6
208.10637	0.6
209.11845	36.5
210.12108	0.9
225.11348	36.8
226.11723	1.1
227.12845	2.9
243.02878	1.1
243.12386	21.3
244.12761	1.1
253.09259	2.4
255.02975	2.6
255.05455	0.6
271.02536	3.8
272.02914	0.8
292.58746	0.6
299.02142	1.0
300.02820	8.9
301.03107	1.2
461.20013	1.7
479.21307	5.9
480.21176	0.8
559.10785	8.3
671.32690	2.5
689.33917	100.0
690.34259	13.1
721.36633	7.0
722.37244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.4
60.68939	1.0
61.98855	5.5
68.01611	1.0
69.54865	4.1
71.01379	4.9
73.87557	1.1
81.03468	1.2
83.05039	2.3
87.00881	1.7
89.02455	2.4
97.02982	4.6
101.02458	5.5
109.06602	17.1
110.03745	1.6
113.02482	2.5
119.03526	1.1
121.06646	1.6
135.08221	2.2
136.05409	1.2
145.05049	1.3
161.04570	1.8
163.11302	9.7
163.74008	1.1
169.79192	1.1
179.10713	1.6
181.12375	3.6
189.09148	1.9
207.10280	58.4
208.10571	1.2
225.11346	20.0
235.08221	4.0
253.09332	10.9
277.21759	100.0
278.22070	2.8
323.84247	1.0
379.30820	1.0
443.19012	2.2
461.20248	4.1
721.41718	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	721.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66296	1.2
56.81987	1.2
59.01385	15.9
61.98807	1.7
69.03438	1.4
71.01383	5.4
73.02933	1.8
81.03452	3.1
83.01350	1.4
83.05023	3.1
85.02935	2.7
89.02447	3.2
97.02953	5.6
98.22696	3.4
101.02444	4.1
109.06598	30.6
121.06617	1.9
135.08148	4.1
143.03551	1.5
161.04544	2.0
161.09717	1.7
163.11281	17.8
181.12379	6.4
189.09241	3.2
207.10275	100.0
208.10579	2.7
209.11830	1.9
225.11351	34.9
235.08191	2.6
252.08229	1.3
253.09267	13.8
277.21732	81.5
278.21994	2.1
441.33752	1.9
443.19177	6.4
461.20193	13.1
485.87433	1.4
580.32025	1.5
721.41681	35.0
722.42560	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	722.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59512	2.5
53.45827	2.6
59.01385	40.7
60.16043	2.7
60.28562	2.8
61.98826	15.9
69.03469	2.7
71.01396	23.5
73.02966	5.8
81.03466	3.7
85.02950	6.5
87.00864	3.9
89.02455	23.1
93.38781	2.5
97.02970	5.3
101.02446	17.4
112.37495	2.7
113.02455	7.7
119.03468	5.2
125.02480	7.3
161.04625	3.5
179.05672	6.9
207.10156	3.8
209.11810	21.4
225.11369	6.5
235.08258	13.9
253.09346	5.8
277.21710	14.1
278.22049	5.1
281.24863	80.1
282.25116	6.1
305.08670	4.5
397.13559	100.0
415.14603	23.8
679.38300	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.9
71.01395	11.1
73.02920	2.3
80.94349	1.5
84.44891	1.4
85.02959	9.5
87.00848	1.7
89.02438	7.9
99.00848	1.8
101.02467	8.2
105.03448	2.6
109.02940	2.0
111.00870	3.2
113.02438	4.3
117.03411	1.9
119.03467	3.0
121.02979	2.4
124.57579	1.5
129.01950	2.3
132.02187	9.4
133.02971	45.7
134.02704	2.7
134.03752	57.4
135.04553	40.4
136.01608	2.4
137.02411	2.4
139.03978	2.0
147.04547	2.5
148.05270	1.7
149.02415	3.1
149.06102	15.8
150.03226	4.4
151.03954	1.8
160.01677	70.1
161.02460	100.0
161.04492	3.9
163.04077	1.9
164.04774	4.3
174.31482	1.8
175.00349	3.5
175.04015	83.2
176.01129	14.7
176.04550	2.5
177.01843	3.2
177.05525	4.9
178.02733	22.5
179.03526	25.9
179.05547	2.9
190.02757	12.5
191.02171	1.9
191.03560	16.6
191.05231	3.2
191.07159	2.9
191.68352	1.5
192.04344	13.3
193.05086	42.7
194.02173	3.1
205.05074	15.3
207.06583	6.7
209.04552	5.3
216.42134	1.5
221.04498	7.7
223.06032	3.4
235.05986	2.9
249.11295	1.8
251.05516	2.5
255.02995	2.4
280.05685	2.1
283.02432	2.4
284.03250	2.1
285.03879	3.3
323.07742	57.2
353.08710	17.7
367.10370	18.4
399.13071	19.6
459.09390	2.7
499.12595	4.4
554.46600	1.9
561.16150	54.6
562.16412	2.8
591.22803	2.1
603.16870	2.2
723.21259	87.5
724.21393	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	723.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19644	0.3
59.01381	5.7
59.52042	0.3
61.98834	100.0
62.38673	0.2
65.49040	0.2
69.08353	1.8
71.01389	0.8
71.05006	0.3
73.02950	0.3
75.91284	0.2
82.95429	0.4
85.02977	0.3
89.02460	0.7
93.03473	0.3
99.04514	0.3
101.02441	0.7
108.47253	0.3
111.00893	0.9
113.02455	0.5
118.60477	0.3
121.02995	1.2
122.03320	0.7
160.04124	0.3
175.03949	0.3
187.11674	0.2
191.05798	0.3
193.05040	0.5
350.74332	0.3
365.81412	0.3
422.44818	0.3
663.36548	0.4
685.40405	0.6
723.35773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.1
59.83255	3.4
61.98838	13.0
71.01391	22.3
78.91879	4.7
78.95890	3.3
81.03495	6.2
85.02972	3.5
87.00860	5.6
89.02454	8.0
97.02940	9.4
101.02449	8.4
109.06606	49.0
110.03741	4.9
113.08279	3.2
125.09714	3.3
135.08247	4.6
161.04492	3.9
163.11334	22.3
171.10330	10.3
205.08699	4.0
207.10277	100.0
209.11809	20.9
223.09760	7.3
225.11349	61.4
226.11711	4.9
235.08304	4.6
253.09349	12.1
415.21313	6.6
450.16913	4.0
461.20313	21.4
607.26923	4.3
625.28906	6.6
651.30127	11.6
669.31451	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	723.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	2.2
57.03453	38.6
58.17756	1.2
59.01385	73.3
61.98836	56.0
69.07507	7.6
69.07909	2.8
70.10886	1.5
71.01386	43.8
72.99294	1.8
73.02953	8.9
73.75171	1.3
75.00859	1.4
81.03469	1.8
82.89736	1.3
83.01386	5.4
83.39139	1.4
85.02957	16.8
87.00874	5.1
88.98798	3.0
89.02456	25.4
95.01391	3.7
98.22609	3.5
99.00919	3.7
99.04534	14.5
100.45031	1.6
101.02452	41.5
111.00872	3.7
113.02451	22.5
119.03522	8.8
119.72881	1.4
121.02968	2.1
125.02474	11.8
129.01987	1.6
132.02147	1.6
134.03735	3.9
143.03456	3.3
149.02467	1.7
149.04550	1.7
159.03000	2.4
160.01646	3.1
160.04085	1.4
161.04559	7.5
165.42181	1.4
175.03952	4.6
179.05617	1.6
193.04951	3.5
205.12254	1.7
271.02386	2.7
272.02924	1.6
273.02908	3.3
299.02020	4.4
300.02203	4.2
301.02655	4.0
310.56015	1.5
315.11032	1.5
354.03403	1.9
399.23843	1.8
417.25092	6.8
450.76587	1.6
475.08530	1.8
476.08063	2.9
561.29541	21.4
579.30255	100.0
580.30206	5.9
620.36304	2.7
621.31122	10.7
679.17957	1.8
685.39294	4.8
723.16772	5.5
723.34491	48.6
724.34985	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	723.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
58.00588	1.0
59.01384	51.0
59.31253	1.0
61.98835	41.8
69.03446	1.7
71.01021	1.7
71.01387	26.3
71.05055	1.0
72.99300	1.1
73.02957	4.8
80.02683	1.6
81.03454	2.7
83.01390	3.2
83.05035	5.5
85.02944	9.8
87.00885	4.4
87.21684	1.0
88.98840	2.7
89.02454	23.2
92.72375	1.0
93.03463	1.2
95.01389	1.7
95.05035	1.9
97.01173	0.9
97.02952	3.5
97.06570	1.6
98.21816	2.2
99.00883	1.9
99.04514	3.1
99.08186	1.0
101.02457	19.9
109.02959	1.6
109.06607	2.2
110.03729	1.1
111.00914	12.3
111.08157	1.1
112.05297	2.1
113.02465	9.5
115.07651	3.2
119.03547	6.1
119.04993	1.0
121.02978	1.6
123.04542	1.5
125.02472	7.2
125.09718	5.9
127.07658	5.9
127.11323	1.3
131.03539	1.3
134.03796	2.0
135.08157	2.9
139.07729	1.2
143.03482	2.7
149.00664	1.3
153.09245	17.2
155.10745	2.1
160.01660	1.6
160.04008	2.3
161.04564	3.5
162.08545	1.0
163.11296	4.1
165.12883	3.5
171.10298	31.9
175.04022	1.4
178.10016	2.6
179.05615	6.2
185.11792	5.7
185.74515	1.1
191.10817	2.5
191.14383	1.6
193.05087	1.6
197.11838	10.7
209.11852	59.6
210.12169	1.9
211.13361	1.8
221.06660	2.7
229.22047	1.0
235.08246	5.5
238.12114	3.1
245.19028	3.1
253.09181	2.0
256.13052	1.7
263.20233	1.2
279.19742	1.5
289.18109	11.1
297.20676	3.4
305.08783	1.5
307.19168	100.0
308.19540	2.7
325.20221	66.6
326.20499	2.0
397.13507	32.0
415.14627	30.7
457.16956	1.1
525.27826	1.3
536.80316	1.2
561.23376	1.4
569.82770	1.2
579.29297	1.2
636.26428	3.8
705.33368	28.5
706.33905	2.3
723.34473	19.6
724.34216	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.6
61.98825	0.7
71.01383	4.1
73.02923	1.0
78.26486	0.4
80.02696	0.9
81.03462	0.7
83.01372	0.7
83.05038	4.3
84.02169	0.8
85.02937	1.0
86.00088	0.4
87.00881	1.0
89.02454	2.7
95.04994	0.5
99.00889	0.5
101.02469	3.0
103.60470	0.4
109.06593	0.5
113.02448	1.6
119.03552	0.7
125.06086	0.5
136.26894	0.4
145.05031	0.8
161.04556	1.4
163.11275	2.9
163.36140	0.4
165.12868	1.8
179.05672	0.7
191.10791	1.1
209.11836	77.4
210.12225	3.1
227.12917	7.7
233.22749	0.7
235.08264	4.2
253.09262	7.4
259.20645	0.7
275.20233	0.7
277.21732	100.0
278.22046	4.7
296.17078	0.5
300.25629	0.4
446.90814	0.6
605.38422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84293	0.3
53.01337	0.3
54.35326	0.3
59.01383	3.5
61.98824	0.9
63.80886	0.3
69.86944	1.3
70.36037	0.3
71.01377	2.8
73.02946	0.4
74.59835	0.4
80.02663	0.9
81.03464	1.1
83.01411	0.3
83.04572	0.6
83.05031	4.9
84.02195	0.4
85.02953	0.7
87.00874	0.3
89.02439	1.8
89.52456	0.4
95.05021	0.7
98.22547	0.7
101.02450	1.8
113.02425	1.2
114.51737	0.3
119.03499	0.9
145.85501	0.4
145.95731	0.3
161.04607	0.8
163.11284	3.8
165.12828	2.1
179.05681	0.4
181.12276	0.5
186.90477	0.4
191.10811	1.2
209.11836	100.0
210.12170	3.7
213.17429	0.4
227.10654	0.5
227.12903	9.8
235.08235	1.2
253.09311	6.9
277.21732	48.7
278.22034	2.8
445.21033	0.7
456.28384	0.4
570.35645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74092	0.7
52.07426	0.6
53.37179	0.8
59.01389	7.7
61.98837	100.0
69.77238	2.7
71.01385	2.4
74.50771	0.7
89.02430	0.8
89.03504	0.8
98.22634	0.8
101.02456	1.5
103.67139	0.7
106.91190	0.8
110.19646	0.8
113.02441	1.0
114.04942	0.8
121.02982	1.6
173.00694	1.2
209.11794	1.0
677.60010	0.8
680.38367	1.4
724.36835	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	725.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67641	0.6
57.03443	1.1
59.01387	12.3
61.35042	0.6
61.98831	14.9
69.27150	2.8
69.27551	1.7
71.01383	6.8
71.44434	0.7
72.99293	0.8
73.02950	1.5
80.82838	0.7
83.01389	1.1
85.02967	4.1
86.55480	0.7
87.00909	1.1
89.02450	3.9
95.01380	0.9
97.02947	0.7
101.02431	3.8
103.51291	1.0
106.04254	1.1
109.02955	2.6
113.02462	2.8
119.03519	0.9
119.05077	0.8
121.02968	100.0
122.03272	0.8
123.04531	2.9
125.02454	4.2
131.32220	0.7
135.04536	7.4
137.09593	0.7
143.03508	2.8
149.02483	1.5
149.06013	0.9
150.03238	3.1
150.09233	6.5
151.04016	15.0
155.10722	0.8
160.01675	1.6
161.04611	1.0
163.04021	1.3
171.10271	2.3
175.04027	1.4
176.47794	0.8
179.05670	0.8
179.09563	2.1
193.05078	0.9
194.11916	1.5
211.13445	3.0
229.14372	2.0
236.72849	0.7
291.19666	0.9
313.09332	3.1
327.21762	16.3
329.13901	1.0
367.10477	1.4
377.15881	1.5
409.11542	1.1
415.14566	4.5
501.21255	2.0
503.32361	0.8
521.33191	0.8
531.15143	1.0
545.20398	2.9
567.64227	0.7
665.37622	5.2
683.38690	2.5
725.28320	1.1
725.39972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67681	0.4
59.01383	7.0
61.98835	4.4
69.24991	0.9
69.25395	1.9
71.01386	3.3
73.02950	1.8
85.02946	1.4
88.98822	2.1
89.02461	2.4
95.01397	0.8
101.02467	2.0
109.02959	1.7
111.00892	2.8
113.02467	1.6
114.09295	1.1
119.03502	0.7
119.05032	0.6
121.02973	0.8
123.00860	0.8
123.04510	0.6
125.02445	0.7
134.03731	0.9
135.04533	1.3
137.02478	4.8
149.02460	1.5
150.03180	0.6
151.00380	8.8
151.04051	1.4
152.01105	0.8
152.04808	1.4
153.01941	0.5
159.04549	0.6
160.01648	0.8
160.04005	1.2
161.02528	0.7
161.04588	0.8
165.05653	0.6
166.02725	36.0
167.03487	2.0
175.04018	1.9
177.01947	2.0
177.05635	0.8
179.03558	0.8
179.05641	1.0
181.05078	58.9
182.05475	1.6
186.11403	0.8
190.06387	1.0
191.03548	0.9
193.05077	1.8
205.04991	1.4
205.08659	0.6
207.06654	0.9
223.06265	0.7
229.08893	0.7
238.36333	0.5
315.11096	0.7
359.11319	1.1
387.10858	8.0
388.10965	0.7
402.13141	7.2
417.15573	100.0
418.15948	6.2
503.19254	1.7
538.32306	0.7
545.22223	1.9
563.22076	0.5
663.14923	0.5
725.29492	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68924	6.4
59.01376	81.3
61.98837	100.0
69.90694	24.0
71.01375	31.4
73.02959	9.0
75.20783	6.4
82.95399	12.9
85.02983	7.6
89.02461	12.4
96.96024	13.6
98.22575	8.7
101.02452	20.6
102.56072	7.4
105.44980	8.1
113.02415	9.4
121.02947	19.2
145.92838	6.8
163.11331	10.0
175.27234	7.5
180.72276	6.8
191.05603	8.4
207.10277	11.5
209.11877	52.8
225.11270	22.4
227.12889	7.3
381.68741	8.0
526.93481	9.4
653.31860	11.9
707.57800	8.2
725.38751	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	725.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.4
61.98827	23.5
69.10280	59.7
69.10690	21.2
71.01391	26.8
82.88854	12.6
101.02440	14.4
109.06578	17.0
113.02419	13.9
149.01216	16.0
163.11307	28.6
179.10851	12.1
180.03018	20.2
181.12338	12.3
197.11957	12.8
207.10236	100.0
207.49724	12.0
209.11833	99.4
222.03506	11.5
225.11346	80.3
227.12813	17.4
253.09294	32.7
253.20607	11.6
260.50415	11.3
273.31876	12.1
291.19681	22.9
376.95908	13.2
397.13931	12.6
417.10400	11.6
461.20282	14.3
463.91110	12.1
531.17572	17.6
635.30780	20.0
654.43353	14.8
671.32465	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	725.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88298	13.5
59.01387	76.8
60.64743	15.0
61.98822	34.7
64.51141	12.7
71.01384	23.1
71.44122	15.4
73.02955	14.1
81.73383	13.3
89.02452	19.7
101.02464	22.8
103.19138	13.8
112.63988	14.3
120.16771	13.1
121.02982	25.2
122.73853	12.7
126.48573	11.4
161.04480	18.8
165.12950	15.1
181.08670	27.2
207.10352	26.0
209.11893	74.0
291.19714	100.0
307.19156	23.2
316.42896	13.4
322.04886	14.7
361.20111	14.3
397.13635	59.6
415.14578	22.8
512.96185	16.6
517.32324	16.0
724.88501	15.7
725.31744	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
58.00594	2.6
59.01385	87.8
61.98847	2.7
65.38540	1.7
71.01388	43.4
72.99305	2.3
73.02957	3.9
83.01379	2.9
85.02961	13.3
89.01937	3.3
89.02460	44.1
93.03452	2.1
95.01406	3.4
97.03056	1.6
99.04534	6.8
101.02461	23.6
113.02457	16.5
119.03513	13.8
131.03470	4.4
134.03752	5.0
143.03535	2.6
149.06137	2.0
151.06120	16.8
151.70439	1.5
160.01691	6.8
160.04054	1.9
161.04570	1.8
161.13345	18.3
172.08960	2.0
175.03976	5.0
178.72264	1.6
179.05641	9.7
187.11279	30.5
192.04243	1.6
193.05089	3.6
205.12314	17.2
207.06583	3.4
219.13826	2.3
226.48689	1.6
229.12402	4.8
231.10406	2.2
235.06053	2.0
247.13344	4.2
249.11314	6.0
259.13538	1.9
285.04019	2.4
291.12396	2.4
295.10458	4.9
299.01935	2.1
313.11438	21.2
411.16748	2.0
501.23425	5.3
545.22443	100.0
546.22528	5.7
725.28876	83.5
726.29126	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	725.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03004	1.4
57.03455	1.9
59.01385	78.8
61.98833	6.1
71.01019	3.1
71.01390	40.3
71.42413	2.3
72.99313	1.7
73.02950	3.3
77.73782	1.4
83.01392	3.3
85.02543	1.6
85.02951	7.5
87.00885	4.6
88.98831	5.5
89.02451	40.9
93.03469	2.2
95.01391	2.3
99.04515	2.7
101.02452	25.4
107.05092	1.7
109.03003	1.6
111.00933	2.4
113.02448	13.5
119.03527	14.8
131.03514	1.7
133.06683	1.8
134.03738	3.7
135.04533	2.8
136.01654	6.0
137.02435	2.5
143.03474	2.2
145.03026	1.6
145.61995	1.6
147.11731	1.6
149.02463	1.6
149.04593	1.9
149.06148	2.0
151.00336	2.4
151.04030	8.2
151.06142	9.8
160.01709	3.2
160.04022	2.0
161.02440	2.0
161.04584	4.2
161.13365	10.2
166.02690	14.9
175.04048	5.1
176.01126	2.6
177.01888	2.5
178.02760	2.4
179.03473	1.7
179.05598	7.9
181.05075	23.3
183.62120	1.7
187.11296	19.4
189.89586	2.0
191.03424	2.0
193.05074	3.2
201.13004	1.8
203.14406	2.3
205.05170	1.8
205.12349	14.1
213.54858	1.6
229.12460	2.9
231.10219	2.0
247.13361	2.1
249.11394	5.1
285.04065	1.8
291.12524	3.1
295.10355	4.1
309.10013	1.9
313.11444	14.8
355.09491	2.0
387.10941	3.0
399.13095	2.0
402.12988	4.0
417.15579	38.2
418.15793	3.5
455.57224	1.7
545.22412	100.0
546.22723	6.6
549.16559	4.9
563.16974	4.8
725.29169	59.7
726.29559	4.3
727.35754	1.9
735.78143	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.6
61.98837	8.8
69.24502	5.3
71.01023	1.4
71.01386	18.5
71.04993	1.3
73.02936	1.5
80.02662	1.6
81.03461	2.7
83.05020	5.4
85.02946	2.9
89.02444	3.0
93.03439	1.2
96.95982	1.7
97.02943	3.7
97.06521	1.1
99.00860	1.5
101.02454	5.4
109.06601	16.6
113.02451	2.0
121.02935	1.7
121.06600	1.2
125.09795	1.4
134.97464	1.2
135.08159	3.1
135.55084	1.0
161.04576	1.9
163.11287	13.5
171.10262	4.0
181.12341	2.6
185.11732	1.9
185.81258	1.1
189.70793	1.2
192.74196	1.1
199.09792	1.5
207.10280	51.2
209.11847	100.0
210.12144	4.7
225.11331	30.6
227.12923	15.1
235.08241	4.3
249.11275	2.4
253.09306	9.7
345.23395	1.1
399.21649	3.4
417.23016	2.3
443.19067	2.3
461.20459	11.5
635.31055	1.4
653.31927	3.0
671.32605	6.7
672.33313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40179	2.9
53.83162	3.1
53.98001	3.8
59.01385	44.7
61.98839	100.0
71.01382	17.7
71.42830	3.9
73.02943	5.4
80.91696	8.4
82.95459	2.8
83.01377	3.9
85.02944	6.8
89.02463	6.7
101.02438	11.0
109.06557	4.6
111.00949	3.5
112.03752	3.2
113.02453	8.9
116.92779	3.6
119.03581	3.8
124.46350	3.3
134.03760	4.2
163.11292	4.2
171.10280	8.8
179.05661	3.0
199.09781	4.4
201.11278	9.6
207.10281	15.7
209.11861	30.4
223.63731	2.8
225.11305	12.5
227.12926	10.2
235.08183	4.0
241.73485	3.0
248.70819	3.4
253.09233	8.6
255.03035	8.9
283.02414	8.2
290.12515	3.2
357.12192	3.1
461.20074	8.1
609.28601	6.1
627.30072	9.8
635.30310	9.3
645.31561	9.4
653.31805	16.9
671.33038	14.7
707.37964	8.9
725.31396	11.0
725.38403	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	725.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01384	27.5
61.98825	2.7
64.83903	1.2
65.03960	1.9
65.19125	1.1
68.50834	1.1
69.03447	2.6
69.06728	5.6
69.07137	3.1
71.01386	12.5
72.99332	1.3
73.02947	2.8
80.02667	1.3
81.03457	3.6
83.01382	1.9
83.05025	4.2
85.02931	2.2
87.00880	2.5
89.02457	8.0
95.05043	5.4
97.02975	6.9
97.06605	5.8
99.00873	2.3
101.02456	8.9
107.05018	3.4
109.06618	10.1
110.03728	2.7
113.02470	6.3
113.72678	1.2
117.07123	10.5
119.03468	1.5
121.06586	1.4
123.04563	10.5
123.08108	1.6
125.09711	2.5
127.07607	1.4
131.05026	1.5
132.59048	1.4
133.06609	10.7
135.08177	35.8
136.08386	1.4
137.09723	1.8
139.07646	1.5
149.06114	1.5
149.09697	1.3
151.07643	2.0
153.09267	6.7
161.04588	4.2
161.06050	3.0
161.09790	1.8
163.07605	1.5
163.11295	12.0
163.48590	1.2
165.09248	1.9
165.12889	7.1
171.10278	8.9
175.11270	1.2
177.12868	1.6
179.07156	57.3
179.14395	2.3
180.07420	1.6
181.08789	7.6
181.12364	5.0
185.11830	4.6
193.15967	2.1
197.08206	13.2
197.11877	6.2
199.09805	2.0
201.09306	2.5
201.11354	4.0
207.10303	24.8
209.11832	11.6
219.17578	3.5
223.13411	3.2
225.11375	15.9
235.08163	3.9
247.20699	9.0
253.09319	26.3
263.16531	8.6
273.18631	3.0
281.17636	11.4
289.18240	6.3
291.19681	84.4
292.20117	3.8
293.20874	1.4
299.16263	2.9
307.19110	5.2
309.20761	100.0
310.21082	4.9
317.17496	2.6
347.22107	3.8
380.63104	1.4
433.17307	2.5
443.19000	1.4
453.26416	3.7
461.20200	9.4
471.27496	2.6
681.42645	6.9
689.35199	2.4
707.36292	12.2
708.12970	1.3
725.37543	33.6
726.37897	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	725.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42406	1.8
51.71515	1.8
59.01387	15.3
61.98813	3.4
69.03458	6.1
71.01364	7.0
71.05000	2.3
73.02966	3.4
83.05035	2.5
89.02412	3.5
97.02937	2.4
98.22655	5.5
101.02458	6.9
104.44011	2.1
105.40147	2.0
106.48163	2.3
109.06606	3.8
111.96918	1.8
113.02473	2.7
114.93408	2.9
123.04520	2.3
125.09692	3.7
135.08141	3.4
142.45468	2.4
149.91177	2.0
151.11310	2.5
161.09689	2.3
167.10788	6.2
179.07162	6.7
179.10776	7.7
183.10242	2.1
197.11845	76.9
207.10245	6.2
209.11850	10.1
225.11285	3.7
235.08192	3.1
241.10886	3.5
253.09233	7.5
265.18146	8.9
281.17328	3.0
309.20673	6.5
401.65793	2.2
707.36047	2.3
725.37634	100.0
725.50726	4.9
726.37842	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	725.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07293	18.9
54.76572	16.9
57.01424	19.1
59.29857	16.5
61.98836	100.0
69.34277	38.2
69.34663	53.6
85.00449	20.1
88.94049	18.1
107.61284	18.1
129.31956	17.4
164.85675	20.2
180.92297	19.1
197.11720	17.7
272.16592	17.4
277.21619	21.2
309.20782	24.4
318.86987	20.3
361.37360	20.0
655.44385	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	725.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82145	8.9
59.01389	12.6
61.98844	68.0
74.85164	10.1
78.57687	9.9
85.00401	17.5
90.68468	10.4
95.90476	9.6
99.92751	11.4
100.12432	10.6
117.22095	9.6
118.85620	9.9
163.11139	10.7
197.11800	22.6
209.11868	100.0
210.12273	27.7
227.12871	16.0
277.21799	30.6
278.22125	30.7
279.23050	36.7
309.20767	32.2
403.27066	11.8
725.42102	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	725.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15948	0.5
57.03466	0.8
59.01385	100.0
60.01738	0.7
61.98838	1.8
69.20999	1.1
69.21405	2.8
71.01391	5.8
73.02962	2.5
78.95956	0.6
82.05522	0.6
83.01434	0.8
85.02951	2.6
89.02473	1.7
91.92402	0.5
94.25980	0.6
95.01418	1.1
96.78352	0.5
99.00898	0.8
101.02450	4.4
101.31700	0.5
111.00808	0.7
113.02481	2.1
119.03587	0.7
161.04607	0.8
201.11363	0.6
207.10353	1.0
209.11893	1.5
225.11285	1.0
258.26471	0.6
269.88162	0.6
325.69717	0.6
461.32587	3.1
503.33878	1.6
605.36884	8.9
605.45355	0.6
606.37524	0.8
610.00403	0.7
623.37659	5.1
624.38739	0.7
665.39130	19.4
665.49835	1.1
666.39996	2.6
671.73523	0.6
725.39404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.4
57.03451	7.8
59.01384	92.9
61.98836	18.5
64.77025	2.5
67.87437	2.5
70.28932	5.7
71.01385	57.1
73.02950	23.1
83.01377	15.9
83.05057	3.0
85.02946	28.6
85.05183	2.5
89.02461	9.4
95.01411	5.4
97.02974	2.5
99.00904	8.0
101.02452	75.9
109.06543	3.8
113.02480	23.9
119.03477	3.8
159.02892	6.0
161.04570	19.7
168.16499	2.7
171.10329	4.2
181.08711	2.8
207.10280	10.3
209.11809	12.3
225.11316	9.9
227.12730	3.2
253.09305	3.5
307.19086	3.2
308.19315	3.2
334.85004	2.7
421.22107	2.6
461.32639	3.5
491.37280	2.6
503.33813	100.0
504.34372	15.2
541.04205	2.6
605.54120	2.7
638.93567	2.7
665.39154	91.1
666.39233	13.1
725.35437	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	726.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98837	100.0
69.19386	0.4
69.19815	0.5
71.01402	0.2
85.02974	0.3
89.02459	0.2
101.02470	0.2
111.00912	0.4
121.02985	0.2
125.48266	0.1
130.49594	0.1
147.67888	0.1
150.03299	0.3
160.01717	0.2
164.20349	0.1
166.02759	0.2
175.03946	0.2
183.04652	0.1
211.04108	0.2
226.59637	0.1
227.03577	0.3
255.03003	3.0
256.03436	0.3
283.02515	8.9
284.03070	0.5
285.04175	0.7
384.88028	0.2
446.08569	2.3
501.10727	0.4
663.15710	5.9
664.16302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90885	0.1
59.01388	1.0
61.98835	100.0
62.98578	0.1
71.01398	0.3
79.56589	0.1
83.01379	0.2
85.02972	0.3
89.02474	0.2
101.02493	0.2
111.00884	0.3
141.58447	0.1
150.03250	0.2
151.04007	0.3
165.05585	0.3
182.37358	0.1
183.04579	0.3
195.06783	0.1
227.03487	0.2
253.23007	0.1
255.03001	3.1
283.02505	9.5
284.02951	0.7
285.04135	0.5
315.10709	0.2
377.16061	0.2
446.08621	1.9
501.10803	0.3
574.25171	0.1
587.81580	0.1
606.77087	0.1
663.15656	6.1
664.15863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01384	6.2
61.98835	100.0
71.01385	4.3
73.02957	1.2
83.01411	0.9
85.02953	1.9
87.00879	0.3
87.04559	0.3
88.98833	0.7
89.02451	2.0
93.03505	0.3
97.02995	0.6
99.00893	0.8
101.02456	2.4
101.33845	0.3
109.02951	0.3
111.00894	1.2
113.02475	2.1
121.02969	32.0
122.03300	0.7
125.02462	1.4
129.02054	0.3
134.03821	0.3
135.04536	2.2
137.02495	0.3
143.03526	1.0
149.02531	0.3
151.00406	0.3
152.23885	0.3
152.98148	0.2
160.01750	0.6
161.04549	0.4
163.04041	0.6
175.04053	1.1
179.09592	0.6
191.05548	0.3
193.05164	0.5
194.11952	1.1
201.15103	0.3
211.04234	0.4
227.03600	0.5
234.71400	0.3
255.03052	4.9
283.02521	13.2
284.03116	1.3
285.04074	1.9
327.21942	1.1
359.28262	0.8
367.11279	0.4
446.08698	2.7
447.09344	0.5
501.10623	1.1
503.32614	0.5
508.14429	0.2
521.33685	0.4
525.49951	0.3
564.25110	0.6
663.15649	11.5
664.16162	1.3
665.37823	3.5
666.37915	2.4
667.38959	0.4
683.38684	1.7
684.38934	1.6
725.39984	0.4
726.40533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64370	0.3
54.65442	0.4
57.46626	0.3
59.01375	1.9
61.98830	2.3
69.38430	1.5
71.01402	1.4
74.65175	0.4
80.86897	0.4
89.02455	0.7
96.96077	0.4
98.21862	0.8
101.02489	1.3
107.05029	3.6
113.02483	0.7
121.03016	1.5
122.02472	0.6
123.04537	3.0
133.02957	4.6
134.03535	0.4
135.04570	0.9
147.04576	0.7
149.02455	4.1
151.04022	10.2
152.01193	0.7
161.04611	0.5
163.04022	1.0
164.04814	3.9
165.05115	0.4
175.04126	0.5
179.07172	1.6
181.03827	1.6
182.04428	0.4
193.01456	1.8
193.05058	0.7
206.66547	0.4
208.03752	4.5
208.05399	0.4
217.05086	0.4
223.06123	12.0
223.08292	0.6
224.04770	11.6
225.05225	0.6
235.06274	0.5
238.02623	0.5
239.07153	2.4
245.01717	0.4
252.04242	12.0
253.04669	1.0
254.11942	0.7
267.06674	7.2
268.07132	0.7
282.08734	0.8
282.11404	6.0
283.12039	0.5
284.03333	0.5
295.08221	13.0
296.08694	0.9
300.86163	0.4
310.10855	44.3
311.11172	2.4
325.13193	52.7
326.09674	0.6
326.13602	4.6
340.15527	100.0
341.15823	7.4
385.11295	2.6
393.93243	0.5
492.15073	3.3
493.15189	0.5
531.31390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31368	0.7
65.00346	1.0
67.01875	1.0
67.02464	0.7
69.51399	0.7
71.36259	0.7
72.54219	0.7
74.51242	0.7
79.59970	0.8
85.02962	6.2
90.97150	5.9
104.63599	0.6
111.00896	16.7
126.77882	0.8
129.01945	1.8
156.98184	3.4
158.99774	50.1
166.46761	0.9
166.96671	2.8
168.98254	1.4
173.01006	0.9
173.62730	0.8
184.97691	100.0
185.98097	1.0
201.00777	1.4
202.98691	0.7
206.99774	25.5
209.01414	3.9
210.95615	2.0
225.00859	5.4
226.98944	1.2
227.02394	27.7
228.96674	33.8
232.97641	1.3
234.99255	14.1
241.00227	1.9
253.00317	38.1
254.00565	0.9
260.97104	1.6
270.97763	2.6
278.98248	58.8
279.98563	2.1
296.99277	29.8
304.96133	2.9
322.97220	10.4
330.99982	1.6
340.98285	69.1
341.98547	1.6
366.96231	4.3
384.97272	98.7
385.97684	3.3
403.02585	0.7
420.81259	0.8
459.60028	0.7
553.07288	1.7
642.96936	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
59.10843	0.8
67.01876	1.1
69.71521	0.8
69.91183	2.7
85.02947	7.3
87.00880	1.9
90.97134	5.7
111.00878	16.6
128.03418	1.0
129.01924	3.2
136.56633	0.9
156.98207	3.5
158.99774	47.9
166.96634	1.6
173.00995	1.4
184.97691	89.7
185.98029	1.5
188.98659	1.5
206.35536	0.9
206.99750	26.0
207.01695	1.9
209.01334	3.8
210.95697	1.6
221.85040	0.9
225.00876	4.6
227.02390	24.5
228.96658	23.3
234.99217	14.4
241.00484	2.2
244.86127	0.9
253.00304	31.9
254.00415	1.1
271.01660	1.0
278.98254	54.3
296.95972	2.1
296.99304	33.1
304.96118	2.0
320.81543	1.2
322.97269	9.4
340.98282	68.4
341.98511	1.2
366.96179	3.5
384.97284	100.0
385.97772	2.1
488.96564	1.0
552.73083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.00606	1.2
59.01384	66.5
61.98836	16.8
62.06476	0.8
70.35368	0.7
71.01390	30.8
72.99327	0.8
73.02938	1.8
75.00863	1.0
83.01395	1.8
85.02957	6.7
87.00896	1.4
88.98829	1.4
89.02451	30.2
93.03454	0.8
95.01402	2.9
99.00882	1.3
101.02459	19.5
111.00895	3.5
113.02468	13.6
119.03513	12.5
121.02970	24.6
121.52017	0.6
122.03271	3.7
123.03413	0.8
123.04540	1.9
125.02496	1.1
134.03773	1.6
135.04538	57.7
136.04845	1.3
143.03526	1.2
149.04564	1.1
150.09247	2.1
151.04027	0.8
153.05597	1.8
161.04564	1.4
161.13376	1.9
163.04109	0.8
164.04883	1.0
175.00418	1.1
175.03996	0.9
177.05814	0.7
179.05666	1.4
184.50797	0.8
184.95355	0.7
187.11293	4.4
190.02763	3.2
193.05075	1.0
205.05000	3.4
205.12456	0.8
223.06142	0.7
224.77466	0.7
229.12300	1.2
255.03259	0.9
283.02454	1.4
284.03174	0.7
297.09869	3.6
315.10880	100.0
316.11200	4.4
327.21570	1.1
331.74924	0.7
407.20892	1.6
408.20416	0.9
427.99115	0.8
503.22815	8.6
534.93286	0.7
547.21912	42.4
548.22424	3.7
608.26678	0.8
667.38354	1.2
697.25812	1.2
709.25208	1.0
727.28278	23.6
728.28882	2.1
751.48950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45571	0.8
55.63253	1.1
57.03442	1.9
59.01382	62.3
61.98839	10.3
69.09943	6.2
71.01386	27.7
72.99333	1.0
73.02949	1.9
83.01399	1.8
85.02962	7.6
87.00906	1.4
89.02454	25.6
95.01421	2.4
101.02455	19.8
111.00918	0.8
113.02460	11.5
116.92846	4.6
119.03526	14.8
119.04964	1.0
121.02956	7.3
122.03289	0.9
123.04562	2.5
125.02464	1.2
134.03767	7.5
135.04535	51.9
136.04878	1.0
143.03464	1.2
149.06096	2.0
151.03983	1.0
153.05621	2.8
160.01695	1.3
161.04596	1.7
161.13397	1.1
163.04070	1.0
164.04776	1.3
167.03571	1.0
175.04019	1.8
178.02733	1.3
187.11333	2.7
193.05070	14.9
205.12329	2.1
223.06157	2.0
228.90529	1.0
297.09851	4.8
312.78308	0.8
315.10870	100.0
316.11276	2.9
317.30200	1.0
341.10342	1.8
371.15076	2.9
407.35013	0.9
503.22855	10.5
547.21912	44.6
548.22089	1.9
581.26416	2.7
583.33569	1.0
593.88556	1.0
664.15894	1.6
667.38629	2.4
685.39563	1.1
727.28339	20.8
727.39929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	51.2
61.98837	23.2
66.30659	0.9
71.01383	22.8
72.99326	1.0
73.02950	1.8
85.02960	8.0
89.02451	24.2
93.21268	0.9
95.01379	1.4
98.21904	2.5
101.02449	15.2
109.02961	1.1
111.00884	4.3
113.02445	11.3
114.32803	0.8
119.03515	9.2
121.02950	2.1
123.04518	2.8
131.03543	1.0
134.03764	1.1
135.04538	42.0
136.04846	1.2
143.03473	1.1
143.04504	1.0
149.02403	1.4
151.04005	1.7
153.05554	3.1
160.01596	1.3
161.04596	1.2
161.13411	2.2
164.04785	0.9
165.05615	1.0
175.00360	2.2
175.03999	1.7
179.05562	1.4
187.11230	4.4
190.02684	3.0
193.05064	1.3
205.05069	3.6
283.02423	1.4
297.09860	3.4
315.10880	100.0
316.11176	6.4
367.10397	4.1
427.12061	1.0
431.12473	1.0
471.55692	1.2
503.22876	12.1
504.23309	1.5
547.21899	25.6
548.22455	2.0
720.51801	1.1
727.28003	20.4
727.40448	1.7
728.28479	4.1
735.09912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.4
61.98839	20.3
71.01388	8.8
73.02953	2.8
78.95900	7.0
80.91695	16.2
82.95417	2.8
83.05016	1.9
85.02956	3.1
88.98829	2.1
89.02458	7.2
96.96006	2.3
101.02434	7.9
113.02446	5.5
116.92882	2.2
119.03500	2.6
119.04975	1.6
121.02950	5.7
125.02433	1.8
161.04617	2.5
163.11293	1.9
173.66577	1.8
175.03934	2.2
178.02628	2.4
179.05597	3.0
181.08650	2.1
191.05713	2.2
193.05046	5.2
201.11359	24.4
209.11853	100.0
210.12143	4.4
221.11835	2.1
223.06099	2.1
227.12920	21.9
228.13483	1.9
228.41354	1.7
233.89180	1.7
235.08231	6.1
253.09282	10.0
255.03146	1.8
265.10529	4.4
266.54608	1.8
419.19235	2.3
437.20355	3.0
445.20786	11.4
463.21735	2.3
479.26337	3.1
521.27344	9.4
547.31354	3.4
565.32275	2.2
629.31915	3.0
727.32617	24.7
728.34302	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	727.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.4
61.98839	20.3
71.01388	8.8
73.02953	2.8
78.95900	7.0
80.91695	16.2
82.95417	2.8
83.05016	1.9
85.02956	3.1
88.98829	2.1
89.02458	7.2
96.96006	2.3
101.02434	7.9
113.02446	5.5
116.92882	2.2
119.03500	2.6
119.04975	1.6
121.02950	5.7
125.02433	1.8
161.04617	2.5
163.11293	1.9
173.66577	1.8
175.03934	2.2
178.02628	2.4
179.05597	3.0
181.08650	2.1
191.05713	2.2
193.05046	5.2
201.11359	24.4
209.11853	100.0
210.12143	4.4
221.11835	2.1
223.06099	2.1
227.12920	21.9
228.13483	1.9
228.41354	1.7
233.89180	1.7
235.08231	6.1
253.09282	10.0
255.03146	1.8
265.10529	4.4
266.54608	1.8
419.19235	2.3
437.20355	3.0
445.20786	11.4
463.21735	2.3
479.26337	3.1
521.27344	9.4
547.31354	3.4
565.32275	2.2
629.31915	3.0
727.32617	24.7
728.34302	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	727.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07092	5.2
58.80247	4.6
59.01384	100.0
64.45592	4.3
71.01385	52.8
85.02958	11.7
88.98776	6.3
89.02460	46.5
93.56760	5.1
95.01396	7.4
98.21898	12.2
101.02454	27.2
113.02476	16.1
119.03515	14.4
121.02936	24.6
125.86142	5.7
136.55017	5.1
137.98218	4.3
152.01221	7.0
160.03989	5.7
166.02676	9.8
167.03540	7.5
179.05617	9.7
181.05087	19.9
193.05019	6.0
209.04587	7.1
248.32603	5.1
256.50861	4.5
286.04169	5.4
388.11670	10.5
403.14063	40.0
404.14493	8.1
432.58826	4.7
535.27234	9.8
565.19287	15.9
626.52551	6.2
667.31854	87.3
668.31952	9.6
727.31348	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	727.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68985	1.7
59.01119	2.4
59.01381	27.9
61.98832	3.6
71.01395	9.9
71.05019	2.0
80.02676	2.4
81.03445	4.5
82.20834	1.9
83.01397	2.4
83.05029	23.6
85.02982	2.2
89.02433	7.0
97.02979	1.7
97.06583	2.1
101.02464	8.5
109.06601	4.0
113.02447	3.8
119.03531	3.0
124.79520	1.7
125.09751	3.1
135.08182	9.4
137.09714	2.9
143.07170	2.1
161.04552	3.2
163.07632	2.5
163.11296	6.8
165.12793	8.2
170.76352	2.0
171.10315	8.9
175.11227	1.9
177.74380	2.1
179.14352	3.3
181.08717	89.7
181.12186	3.3
183.10234	1.9
193.15936	2.5
199.09779	9.1
209.11853	71.2
210.12064	2.3
219.17519	2.5
223.13406	3.7
227.12883	6.2
235.08186	5.9
247.20674	6.9
253.09305	25.9
263.16446	9.8
273.18695	2.6
281.17593	15.4
291.19672	93.5
292.19995	3.1
301.18201	3.5
307.19131	2.4
309.20749	100.0
310.20963	5.1
329.21268	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	727.42
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.3
61.98816	32.9
63.84058	12.4
70.84779	19.3
71.68729	12.5
72.29831	13.3
84.40348	12.7
115.76076	15.4
117.43351	12.3
169.12378	98.1
171.10312	38.5
249.18518	100.0
309.20605	21.6
342.55029	15.8
400.36313	15.2
405.21259	15.7
433.76724	15.7
533.63159	15.9
727.41638	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93634	21.9
58.24962	22.9
59.01360	29.2
61.98828	100.0
66.66615	23.2
119.54009	22.4
134.09035	21.3
209.11732	24.2
247.96953	22.9
277.21802	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46742	29.9
57.99300	33.7
59.01380	47.8
61.98816	56.4
69.85611	29.0
69.85974	100.0
70.50500	30.2
85.00418	41.4
98.21967	48.7
217.67938	31.5
218.61832	39.7
218.64490	30.3
258.50342	33.5
277.21689	30.1
307.19144	43.3
309.20782	90.8
378.44046	30.4
690.73657	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	728.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98444	0.7
59.01392	9.5
61.98829	6.2
67.01901	5.5
69.26095	3.4
69.26513	1.2
71.01382	4.8
73.02938	1.2
83.01384	1.1
85.02956	92.5
86.03256	0.8
88.98817	1.9
89.02468	4.2
96.96031	1.1
101.02448	2.6
101.86528	0.7
111.00889	100.0
113.02454	2.0
119.03492	1.6
121.02969	11.3
129.01968	6.5
135.04526	3.8
136.04886	1.1
145.06577	1.4
175.03897	1.2
175.68573	0.8
187.11252	0.9
190.02765	1.5
193.05058	0.9
205.05162	0.8
209.71848	0.7
255.02937	1.3
283.02524	1.4
315.10883	5.8
316.11099	2.8
344.18723	1.4
358.20581	1.1
373.66779	0.7
376.21274	1.3
400.21375	1.8
404.20737	1.6
418.22250	9.0
436.23410	2.0
547.21350	1.5
548.22229	2.9
684.30280	18.4
685.30530	2.1
728.28345	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	728.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37710	0.2
57.03454	0.2
59.01386	2.2
59.41764	0.2
60.24067	0.2
61.98839	4.3
67.01894	6.6
69.12331	0.4
69.12736	0.9
71.01381	1.1
73.02937	0.4
75.00871	0.2
80.72447	0.2
82.95422	0.7
83.01390	0.8
85.02959	5.1
85.79652	0.2
87.00909	0.4
89.02431	0.7
96.95988	0.2
101.02456	0.6
111.00893	100.0
112.01252	1.5
121.02971	4.8
122.03282	0.3
125.02526	0.2
129.01973	2.6
135.04474	0.3
154.99860	0.9
173.00905	1.7
280.66803	0.2
361.64813	0.2
445.55774	0.2
461.72226	0.2
481.27957	0.5
668.38629	0.4
684.30658	0.4
728.29181	0.3
728.40735	0.3
729.40051	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72978	0.7
59.01355	3.1
60.09576	0.6
61.98822	3.0
66.20864	0.7
69.23618	0.7
69.41969	2.5
71.01373	1.9
72.67062	0.6
85.02956	1.0
89.02447	2.0
92.30524	0.7
93.03451	0.9
98.11371	0.6
99.04511	0.9
99.05113	0.8
101.02435	1.1
111.00881	2.6
113.02430	1.2
121.02947	1.0
131.27299	0.6
134.03793	1.3
135.04567	1.0
143.10686	0.7
150.67511	0.7
151.00363	1.7
160.01694	0.9
161.02501	0.8
175.03995	1.1
183.04506	2.8
193.05109	1.0
211.04073	2.4
227.03525	4.0
244.48566	0.6
255.03009	41.3
256.03436	1.5
268.03629	0.7
283.02499	100.0
284.03125	9.0
285.04071	10.5
299.01691	0.8
340.47812	0.7
411.07077	0.8
446.08524	17.4
447.08920	1.1
471.09445	1.6
531.11450	30.0
531.28107	1.1
532.11908	1.8
573.12677	1.9
693.16736	44.2
694.17291	3.5
718.14404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2559
Annotation	erythro-Carolignan E
Peak:m/z	Relative Intensity
59.01383	2.5
61.98837	15.6
76.58838	2.4
82.56046	2.3
89.63432	2.9
112.40764	2.4
117.03524	3.7
119.04948	2.8
132.01329	2.3
132.02156	14.4
133.02991	12.8
134.03754	100.0
135.04582	15.7
135.88528	2.4
136.01662	5.6
137.02451	8.4
139.03955	2.8
140.99294	3.0
147.04498	4.0
148.05287	7.0
149.06104	21.2
150.03239	4.4
160.01666	43.3
161.02345	3.7
162.03162	4.6
171.10219	5.0
175.04016	58.5
178.02730	36.1
179.03548	17.9
192.04350	3.5
193.05069	80.0
194.05397	3.7
207.06488	2.8
325.84613	2.9
342.10880	7.9
357.13580	16.8
397.12766	5.4
503.17148	12.3
505.18845	3.5
517.18689	5.1
553.20984	9.8
553.86914	2.7
582.18744	2.8
589.74207	3.0
695.68774	3.1
729.25769	41.0
730.26166	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	729.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30416	1.2
55.01875	1.1
59.01385	48.8
59.59713	1.3
61.98817	4.2
69.31113	1.0
71.01391	33.2
72.99303	1.8
73.02962	5.9
73.74987	1.0
83.01382	2.6
85.02959	9.7
86.03127	1.4
89.02452	36.0
93.03464	3.1
95.01379	2.7
98.21781	1.9
98.35892	1.1
99.00906	1.3
101.02452	17.5
109.02945	1.8
113.02460	15.7
119.03513	11.9
121.02969	13.8
122.03772	10.4
122.48894	1.1
133.03000	1.6
134.03722	1.1
143.03506	3.5
149.02455	31.6
150.03241	84.1
151.03642	1.6
161.04591	9.5
161.05933	1.8
163.04028	2.3
164.04800	12.4
165.05585	87.4
166.05919	3.8
175.03922	1.7
179.03444	2.1
179.03940	1.9
179.05621	19.6
180.04276	6.9
191.05566	1.8
193.05058	2.5
193.08710	2.3
194.05937	1.6
195.06644	50.4
209.04555	7.4
209.08160	6.9
237.72813	1.3
254.11829	1.3
299.01935	3.2
303.98538	1.3
325.13382	1.5
340.15381	1.7
342.11032	6.0
357.13464	63.0
358.13678	4.1
399.13153	1.4
405.15558	16.8
406.16064	1.8
519.18622	8.4
542.26221	1.2
567.20892	100.0
568.21167	11.8
667.15570	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	729.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26979	0.8
59.01385	62.3
61.98832	2.2
71.01376	3.6
71.05029	2.8
82.76115	0.9
85.02917	0.9
87.04531	1.2
89.02451	3.1
99.04536	10.4
99.08192	2.0
101.02454	1.6
103.00385	7.9
111.94434	0.8
115.04034	4.2
117.05599	6.7
117.06297	1.1
117.95861	0.8
119.03479	1.5
143.07153	3.5
147.04498	0.9
149.02496	2.2
150.03152	1.3
151.04056	0.9
161.08209	100.0
162.08540	2.3
163.04021	1.0
164.04778	2.0
165.05550	1.4
203.09261	20.4
208.03751	1.3
223.06157	4.1
299.01947	3.2
301.03754	1.0
357.13574	1.0
359.07355	0.9
393.52359	0.9
667.15332	2.5
669.29907	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	729.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43370	0.3
59.01382	2.7
61.98846	1.5
66.52012	0.3
71.01406	1.8
71.01720	0.4
73.02948	1.7
76.01505	0.3
83.01378	0.6
85.02950	1.2
88.98818	0.4
89.02473	0.4
96.74744	0.3
99.00877	0.4
101.02451	2.8
112.32393	0.3
113.02468	0.7
179.05463	0.3
209.11842	0.7
248.20078	0.3
319.22867	3.5
393.79025	0.3
463.26770	0.4
481.28116	100.0
482.28485	6.5
523.29041	4.2
524.30035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43370	0.3
59.01382	2.7
61.98846	1.5
66.52012	0.3
71.01406	1.8
71.01720	0.4
73.02948	1.7
76.01505	0.3
83.01378	0.6
85.02950	1.2
88.98818	0.4
89.02473	0.4
96.74744	0.3
99.00877	0.4
101.02451	2.8
112.32393	0.3
113.02468	0.7
179.05463	0.3
209.11842	0.7
248.20078	0.3
319.22867	3.5
393.79025	0.3
463.26770	0.4
481.28116	100.0
482.28485	6.5
523.29041	4.2
524.30035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	78.2
61.51334	35.6
61.98833	47.8
70.62656	63.9
70.62986	45.8
71.01356	57.5
85.00412	100.0
86.22511	36.7
87.00854	63.0
89.72522	39.2
96.96006	54.0
101.02491	42.7
101.79144	35.6
113.12709	46.3
118.88728	41.7
129.30898	53.2
132.39052	43.7
198.35133	40.4
207.10234	55.0
225.11320	74.1
231.18146	41.0
249.18498	68.0
271.64758	36.0
309.20782	73.0
310.20850	50.9
583.66150	45.1
647.99377	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29192	7.5
53.37762	7.0
59.17043	7.8
61.98834	100.0
70.54213	15.6
87.74541	6.7
88.98830	17.7
89.02460	10.1
101.64487	7.3
110.65939	7.2
179.07138	42.4
182.21460	7.6
235.08197	8.4
266.72784	7.8
277.21735	63.5
392.57785	9.2
693.38214	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	729.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55516	3.6
55.87573	3.2
57.73369	3.5
59.01384	32.8
61.98839	18.4
71.01370	12.8
75.99388	2.9
82.95407	4.4
84.95129	12.9
85.00449	27.3
89.02464	7.0
95.04997	3.4
97.06600	6.8
101.02472	7.2
109.06589	4.5
116.92889	3.5
117.18578	3.2
121.06574	6.6
123.08189	25.0
127.07694	4.7
141.09241	57.9
153.09264	8.0
171.10298	9.9
185.11861	12.1
197.11823	13.5
207.10271	3.2
209.11891	42.9
253.09380	7.2
289.17972	5.5
293.21414	7.8
307.19153	23.2
325.19946	8.9
403.16003	6.1
543.28290	6.7
685.41907	4.1
711.35956	11.8
729.37115	100.0
730.37518	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	729.372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	52.6
61.33616	5.8
61.98831	34.9
71.01386	20.8
71.39864	5.4
79.82495	5.2
84.95123	10.0
85.00449	12.7
89.02481	9.1
92.00996	6.0
97.06615	6.6
101.02442	14.1
104.88968	6.6
109.06627	5.9
113.02387	7.2
116.92923	7.2
121.06624	9.8
123.08182	21.4
125.09717	9.9
141.09225	60.2
171.10278	7.0
185.11845	11.3
197.11897	12.6
209.11929	36.2
293.21259	8.8
307.19260	22.5
325.20212	8.4
388.41400	6.2
510.91217	6.0
685.41278	8.2
711.36157	19.9
729.36987	100.0
730.36523	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	729.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.71389	14.9
69.16702	56.6
69.17112	59.0
73.71785	15.9
75.60131	16.5
76.44370	14.9
89.43980	15.0
122.85702	18.7
168.95580	17.3
225.57587	16.7
341.88129	19.8
732.79376	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	729.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	86.3
59.57359	51.3
61.98837	90.4
67.71240	49.5
70.49705	56.4
71.01391	55.5
122.61728	48.6
142.34894	58.8
254.92250	49.1
263.23196	52.8
309.20639	80.5
729.44073	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97662	12.5
61.98831	21.0
69.13562	100.0
71.05841	11.6
71.99389	12.1
79.68551	15.4
97.33957	12.6
98.22620	27.5
102.02669	12.2
119.21770	16.5
305.59134	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	730.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.3
61.98836	31.9
67.01897	5.7
71.01392	3.6
71.41911	0.5
71.42300	0.6
85.02960	58.3
86.03302	0.8
89.02444	2.2
100.95933	0.5
101.02448	1.1
102.43416	0.5
102.46210	0.5
111.00893	100.0
112.01217	1.5
113.02457	0.7
119.03523	0.6
121.02967	21.9
129.01955	2.7
145.02946	1.0
145.06616	1.1
153.39876	0.5
179.05664	0.5
184.92683	0.4
191.05711	0.5
334.16507	0.6
376.17691	0.7
402.19312	1.1
414.09232	0.5
420.20367	6.5
438.21289	2.7
589.68304	0.5
686.28296	15.4
687.28748	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	730.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84564	0.2
54.11326	0.3
61.98833	100.0
62.64695	0.2
66.24875	0.3
83.15416	0.3
88.23672	0.3
98.21886	0.8
104.05927	0.3
186.74525	0.3
202.10716	0.3
204.05917	0.3
238.52026	0.3
308.75064	0.3
343.07944	0.3
434.96820	0.3
647.93188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09985	0.5
52.97590	0.4
56.62489	0.5
61.98835	100.0
63.17695	0.4
66.75825	0.4
82.80875	0.5
172.10666	0.5
350.75616	0.5
442.02386	0.5
616.44757	0.5
684.69684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.8
57.03447	1.9
59.01385	23.5
63.39021	0.9
71.01385	15.7
72.99321	1.2
73.02943	8.3
75.00908	1.1
82.27185	0.9
83.01390	5.2
85.02958	11.0
86.00099	1.2
87.00903	2.3
89.02435	4.8
93.03461	2.8
95.01415	2.4
99.00869	2.3
101.02442	16.5
111.00826	1.3
113.02464	7.8
119.03567	1.4
121.02943	4.7
122.03777	9.9
132.02165	1.2
133.03004	5.2
134.03711	4.5
146.03700	0.9
147.04471	2.4
149.02452	29.9
149.06090	4.7
150.03238	73.0
151.03624	1.3
151.58426	0.8
153.83044	0.9
154.29048	1.0
161.04596	1.9
164.04822	6.2
165.05574	69.1
166.05916	1.3
167.10786	1.9
177.05646	1.4
180.04268	4.8
181.05048	4.6
182.26103	1.0
193.08765	1.0
195.06624	23.7
196.07376	8.5
209.04585	1.6
211.09764	14.0
246.44524	1.1
344.12695	4.6
358.12585	1.7
359.14969	15.1
373.15039	23.7
462.60297	1.1
488.95557	1.0
519.23816	1.0
521.20306	96.6
522.21216	5.2
566.06732	1.1
569.22424	100.0
570.22675	5.6
733.50726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03462	0.9
59.01388	19.0
61.98832	2.6
66.40793	0.7
71.01389	15.2
72.99335	1.0
73.02966	5.0
74.75961	0.7
76.92387	0.7
82.02991	2.1
83.01399	3.0
85.02972	6.7
87.00875	1.3
87.19453	0.7
89.02460	9.3
93.03452	2.1
95.01424	1.9
96.96045	0.9
99.00871	1.0
100.04068	1.5
101.02457	12.1
106.15910	0.9
106.18918	0.8
108.02201	0.6
111.00867	1.1
113.02450	5.6
113.95003	0.6
119.03525	3.5
119.05124	0.7
121.02981	4.1
122.03754	11.4
123.04560	1.1
133.02962	1.4
134.03760	2.1
135.04601	1.4
143.03526	1.0
145.02995	1.8
149.02466	15.8
149.06091	1.8
150.03239	87.9
151.03760	2.2
161.04619	1.6
161.06171	0.9
162.03223	3.4
163.03981	1.5
164.04782	4.5
165.05585	100.0
166.05899	1.5
177.05594	3.2
179.05684	1.5
180.04321	6.0
181.05075	2.7
191.05638	2.8
195.06648	47.6
196.07373	6.2
211.09779	7.3
248.09306	3.1
249.09676	1.0
270.99945	1.1
271.02460	3.7
272.02744	3.3
299.01965	9.5
300.02301	7.7
301.02997	1.0
337.09454	0.9
344.12546	1.7
358.12924	1.2
359.14966	6.3
373.15088	37.2
374.15540	1.2
427.16122	0.9
450.59369	0.9
462.07660	1.6
463.08585	3.1
464.08823	0.9
500.64502	0.8
521.20325	72.2
522.20703	4.3
569.22467	64.6
570.22760	4.5
668.15314	11.5
669.15552	1.2
731.28607	1.4
756.80670	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28949	7.8
59.01390	52.8
61.98829	100.0
71.01377	20.4
85.02954	10.1
89.02473	9.9
101.02446	14.8
154.38519	7.7
159.22235	8.5
169.47287	9.0
201.99268	8.5
209.11888	10.9
487.55643	8.5
521.47858	8.7
546.49127	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	731.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24216	13.6
52.54336	14.9
53.70520	15.1
59.01381	66.9
61.98829	68.3
67.01061	14.4
69.17564	23.2
69.17882	100.0
71.01395	23.1
121.02998	20.1
274.80807	14.7
279.02884	15.2
483.28564	21.2
485.20804	16.0
745.06183	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	731.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.9
57.03457	2.2
59.00092	1.3
59.01383	100.0
61.98833	18.3
63.67025	1.2
67.91628	1.2
69.17728	2.5
69.18134	5.7
71.01385	42.8
72.99294	1.8
73.02953	8.9
73.79498	1.1
75.00887	2.3
79.95773	1.1
80.22958	1.2
81.03467	1.6
83.01395	5.6
85.00462	1.7
85.02952	16.8
87.00887	4.5
88.98837	1.1
89.02457	27.7
95.01403	4.7
96.96013	3.0
97.02956	2.0
99.00875	2.7
101.02446	28.1
111.00874	2.4
113.02463	24.9
115.85057	1.2
116.92080	1.2
116.92856	2.5
119.03508	10.6
121.02957	2.7
124.01681	1.9
125.02455	3.4
128.04910	1.3
135.08272	1.5
143.03496	3.1
158.06227	1.2
159.03008	1.4
161.04558	5.5
179.05588	2.6
193.04950	1.3
209.11868	2.3
283.02451	1.4
391.51636	1.2
465.28787	1.9
483.29657	3.9
519.63257	1.3
559.47070	1.3
627.33868	85.7
628.34155	7.4
645.34955	46.8
646.35199	2.9
651.38409	15.1
687.35950	21.1
688.36023	1.8
695.40460	1.9
731.37744	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	731.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79133	10.8
56.87179	10.9
61.98825	28.7
70.82559	21.7
132.82722	11.5
181.08772	75.9
227.12946	16.1
235.08421	12.7
249.18909	14.0
253.09143	11.9
277.21710	100.0
326.39465	11.6
574.60620	12.7
731.38086	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	731.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.6
59.01389	13.3
61.98833	29.7
71.01383	8.2
71.18799	1.7
79.02008	1.2
83.01360	1.9
83.05040	1.8
85.02939	3.1
87.00910	1.6
89.02450	3.9
96.96014	4.1
97.06598	21.3
101.02431	6.5
113.02416	2.6
123.08160	10.8
124.82672	1.5
125.09735	100.0
126.10085	2.1
137.12570	1.3
139.07684	1.8
151.11316	1.4
153.09200	3.6
154.32587	1.6
157.95119	1.3
159.72975	1.3
160.59296	1.3
161.04613	2.5
163.11269	2.1
171.10214	6.2
185.11842	4.1
187.09775	67.0
197.11877	4.1
209.11848	19.2
235.08232	2.0
253.09190	2.6
283.02658	1.9
289.18155	2.6
307.19138	11.2
308.19717	1.6
325.20047	3.4
347.83411	1.5
348.68613	1.5
391.99564	1.6
405.17603	6.4
423.18826	15.4
543.27960	3.2
713.37531	24.5
714.36981	2.2
731.38635	70.9
732.39130	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	731.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
75.69569	3.6
96.14404	4.0
106.34584	4.4
108.51643	4.3
109.06629	4.7
113.04015	4.6
113.48868	5.6
224.20306	4.2
229.19121	4.1
311.27502	5.2
407.91309	4.5
463.26108	5.4
632.64771	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	732.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98837	100.0
67.17414	0.1
71.01405	0.1
98.21842	0.3
111.60732	0.1
135.80083	0.1
170.32181	0.1
176.56110	0.1
212.64648	0.1
291.19754	0.2
486.05789	0.1
509.59024	0.1
599.47339	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85298	0.8
59.01387	25.6
61.98836	15.8
65.82938	0.8
69.50093	0.9
69.50478	0.9
71.01390	16.8
72.91799	0.8
73.02981	2.8
83.01434	1.9
85.02967	3.6
87.00890	2.7
89.02451	14.5
95.01402	1.4
95.05022	0.9
95.18175	1.1
97.02964	2.1
101.02460	12.4
113.02464	6.2
119.03530	3.2
125.02485	4.4
127.55573	0.9
132.49258	1.1
143.03534	2.7
156.65810	0.9
161.04607	3.2
165.12866	16.1
165.14175	0.7
175.58139	0.9
179.05649	2.5
183.36505	0.9
202.21576	0.9
209.11868	1.6
219.28717	0.9
221.06706	1.5
235.08260	4.7
247.20735	8.8
253.09416	2.2
273.18896	5.5
273.21420	1.2
287.07910	1.2
291.19696	100.0
292.20087	5.1
305.09045	1.2
397.13538	50.8
398.13864	1.9
415.14651	27.0
572.15717	1.0
732.37842	1.0
733.37305	2.7
736.11444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63395	0.1
59.01381	1.1
60.07000	0.1
61.98833	100.0
69.31092	0.2
69.31484	0.4
71.01396	0.4
73.02959	0.2
85.02985	0.2
87.00913	0.2
88.98848	0.2
89.02466	0.3
95.01384	0.2
96.96023	0.3
98.22633	0.3
101.02467	0.3
113.02496	0.2
121.02969	0.8
122.42802	0.1
135.04576	0.2
164.10812	0.1
190.02765	0.2
205.05164	0.2
255.02847	0.3
287.81418	0.1
331.17783	0.3
629.11444	0.1
732.40857	0.3
733.34827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70890	8.8
57.33150	10.0
59.01376	18.7
61.98820	25.1
81.97073	9.9
125.06055	11.7
146.90517	9.7
156.04478	9.8
163.11299	20.8
168.98662	9.0
185.11882	11.4
197.11821	15.8
207.10258	16.4
209.11850	64.1
272.96445	10.2
277.21829	12.4
287.16504	12.0
287.36618	9.4
291.19745	65.8
305.17596	92.6
309.20728	100.0
323.18515	29.9
361.19962	13.6
379.21268	30.6
506.01257	9.1
540.62585	9.7
591.35706	11.1
602.34338	15.7
671.41736	34.4
689.42554	27.7
732.25250	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	733.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.3
61.98832	8.3
68.14897	2.4
71.01385	5.6
71.39964	2.5
73.00323	2.5
79.84178	2.7
85.80299	2.3
95.60649	2.8
101.02428	3.2
105.85157	2.7
109.81935	2.8
167.25993	2.6
171.10287	100.0
180.28706	2.6
235.08205	3.6
245.19131	5.1
253.09369	10.4
265.60275	2.7
289.18106	26.5
290.18201	2.5
307.19226	30.2
482.73813	3.0
513.85236	2.8
525.27020	3.5
578.57013	3.2
679.37506	2.8
733.36328	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	734.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.5
61.98833	100.0
68.93604	2.5
69.11449	17.4
71.26456	2.6
82.64431	2.9
84.98387	3.1
86.91191	2.5
94.55611	3.0
107.99718	2.5
160.92708	2.6
209.11830	5.2
466.27505	3.0
473.18988	2.5
523.35876	2.4
657.25446	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	734.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01728	0.6
61.98833	10.1
61.99138	0.8
63.70692	0.4
63.99266	0.4
69.09543	2.7
71.01400	0.9
83.01395	0.4
87.00871	1.0
88.98833	1.0
89.02462	0.5
94.15028	0.5
96.44508	0.4
98.22617	0.9
101.02448	0.7
107.81691	0.4
117.03452	0.7
121.02966	42.0
122.03362	1.0
122.28895	0.5
123.00909	0.4
151.00359	0.9
160.04092	0.8
175.03944	0.6
183.04550	1.1
191.05658	0.5
193.05107	0.6
200.22937	0.4
205.12793	0.4
211.04041	0.7
227.03523	1.9
244.84755	0.5
255.02998	18.9
256.03540	0.5
271.02515	0.6
283.02509	40.0
284.03391	2.6
285.04047	2.3
299.02014	0.9
436.71884	0.4
446.08633	8.5
451.07089	0.4
472.18576	0.4
488.09943	0.9
489.10391	0.9
492.22589	0.8
493.24655	0.5
526.25580	0.4
530.14252	1.0
531.11682	0.9
550.21234	0.5
564.22589	0.5
573.13135	1.6
582.23846	2.0
614.26221	0.6
675.16040	0.5
735.17688	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	734.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	0.7
61.98840	3.7
65.53352	0.2
69.08701	0.5
69.09108	0.8
71.01391	0.4
72.58970	0.2
73.02988	0.2
85.02919	0.2
88.98838	0.4
89.02453	0.2
112.75311	0.2
121.02972	9.8
151.00424	0.3
170.01416	0.2
175.04083	0.2
179.83092	0.2
182.80112	0.2
197.38072	0.2
229.05046	0.3
243.02982	0.3
255.03053	0.4
265.77777	0.2
271.02502	3.7
283.02554	0.6
285.04123	0.2
299.01999	5.9
300.02826	0.4
301.03543	1.0
488.09973	0.2
492.22842	0.3
526.25677	0.2
530.10651	1.2
531.11713	1.2
582.23669	0.8
680.79395	0.2
698.36395	0.2
735.17804	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	734.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18947	0.1
59.01382	0.2
61.98836	100.0
64.87079	0.1
69.53433	0.1
69.53721	0.6
70.33576	0.2
98.21918	0.2
109.42030	0.1
114.61856	0.1
114.95319	0.1
163.74184	0.1
244.74347	0.1
273.03699	0.2
273.75330	0.2
359.04459	0.1
465.46753	0.1
751.03339	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	734.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.4
61.98829	22.3
78.97736	5.7
98.07256	6.4
99.21294	5.9
108.75932	5.5
116.23219	6.4
161.35773	6.0
166.12747	6.0
171.10338	14.0
181.49127	6.1
209.11844	17.8
271.52271	6.6
289.18155	13.0
289.24539	6.3
291.19672	35.6
307.19223	41.8
309.20758	100.0
311.05984	7.3
325.20160	37.1
337.78299	6.3
464.84119	6.9
601.16174	7.4
604.36230	7.9
617.70520	6.4
673.43195	9.8
696.95825	6.8
715.30402	7.1
740.19788	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	735.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
63.02399	0.8
65.00341	0.8
71.01389	0.8
75.33929	0.5
83.01402	0.8
89.02454	0.6
101.02431	0.6
107.01401	0.8
111.00886	1.1
117.03472	1.1
135.00914	0.4
151.00395	2.3
155.05011	0.8
159.04529	0.9
171.04570	0.6
182.03693	0.4
183.04514	5.3
185.02452	0.5
211.03993	2.8
227.03522	4.6
229.14548	2.0
230.14806	0.4
239.03389	0.7
255.02997	53.9
256.03342	2.1
283.02496	100.0
284.03085	6.6
285.04068	11.5
297.04111	0.5
327.05042	0.7
445.07742	1.1
446.08542	46.3
447.09006	2.8
459.09473	0.4
471.09366	0.8
479.87573	0.4
504.25299	0.5
513.10394	1.0
531.11523	2.8
573.03461	0.6
573.12457	12.1
574.12811	1.1
615.13965	0.8
633.14282	0.7
675.14978	0.7
693.16443	2.4
735.17792	27.2
736.18304	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	735.178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
59.31825	0.3
61.98849	0.3
63.02406	0.6
65.00346	0.6
65.47933	0.2
66.40148	0.2
83.01409	0.4
92.73487	0.2
93.03493	0.6
107.01413	0.8
109.02939	0.3
111.00924	0.4
117.03511	1.2
135.00876	0.3
141.03522	0.3
145.02980	0.3
151.00388	2.5
155.05023	0.7
159.04572	1.1
171.04523	0.6
173.02409	0.2
182.03746	0.4
183.04543	5.1
185.02313	0.3
187.04022	0.4
199.04005	0.6
206.77979	0.2
211.04030	3.4
227.01302	0.3
227.03526	4.2
239.03470	0.6
255.03003	49.6
256.03415	1.5
283.02493	100.0
284.03021	6.4
285.04080	10.9
285.06357	0.2
285.07336	0.4
286.04376	0.5
297.03973	0.5
327.05124	0.5
335.24994	0.3
417.08661	0.3
436.94498	0.2
445.07956	2.0
446.08548	46.3
447.09033	3.3
453.08386	1.1
488.09601	0.8
513.10272	1.6
531.11365	0.8
535.31305	0.5
573.12518	11.6
574.12976	0.8
594.28473	0.3
615.13477	1.0
675.15656	1.9
686.60297	0.3
693.16858	0.6
735.17773	20.4
736.17877	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	735.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99454	0.4
53.65626	0.4
59.01381	10.6
61.98842	1.8
63.02411	0.6
65.00341	0.7
71.01402	0.8
83.01397	0.4
93.03470	0.5
107.01369	0.5
117.03463	1.1
121.02972	1.2
122.28613	0.4
143.05103	0.4
151.00362	1.9
155.05072	0.7
158.08636	0.4
159.04495	1.1
171.04602	1.1
173.95653	0.4
182.03748	0.6
183.04543	4.8
185.02466	0.5
185.06244	0.4
187.04018	0.8
211.04036	2.8
211.38751	0.5
223.12175	0.3
227.03494	5.3
239.03510	0.4
255.03000	49.8
256.03497	2.4
271.02451	1.4
283.02493	100.0
284.03107	6.2
285.04071	19.0
285.07318	0.8
286.04269	0.7
299.02124	2.7
299.04944	0.5
327.05176	0.5
446.08542	26.2
447.09250	2.9
459.08783	0.4
489.09576	0.5
531.11810	0.4
573.12598	9.9
574.13031	0.5
615.13702	0.9
693.16882	0.8
735.17792	47.3
736.18396	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	735.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58204	0.6
52.20781	0.5
53.92698	0.5
57.99903	0.6
59.01379	4.4
61.98834	4.8
63.02410	1.1
65.00333	1.0
69.29207	1.0
69.29629	2.1
75.87700	0.5
83.01418	0.5
88.98833	1.0
93.03512	0.9
107.01426	1.7
111.00913	0.7
117.03489	2.0
121.02959	1.3
121.39589	0.5
135.00896	0.7
151.00406	3.9
159.04564	1.2
164.01173	0.9
169.01416	0.5
171.04555	0.6
182.03783	0.8
183.04555	5.2
187.04053	1.1
211.04027	5.1
213.01900	0.7
226.02800	0.6
227.03566	4.5
239.03476	0.7
255.03003	65.0
256.03473	2.2
269.04440	0.8
283.02502	100.0
284.03220	17.5
285.04034	6.7
367.25589	0.6
446.08594	6.9
447.09171	2.4
453.08167	2.2
573.12317	5.8
590.76965	0.6
615.13702	4.0
735.17798	60.1
736.18292	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	735.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42484	0.2
53.04548	0.3
59.01394	2.4
59.44458	0.3
61.98829	1.3
63.02402	0.4
65.00332	0.5
69.22615	1.8
83.01392	0.6
93.03505	0.7
107.01411	1.1
115.27631	0.3
117.03445	1.5
123.04533	0.3
143.05009	0.5
151.00357	2.3
155.05025	0.6
155.85818	0.3
159.04533	0.9
171.04456	0.6
182.03699	0.4
183.04515	4.1
185.02484	0.6
187.04025	0.4
199.04004	0.4
211.04041	3.3
227.03546	4.1
239.03391	0.7
245.41257	0.3
255.03011	48.2
256.03336	1.8
268.03876	0.4
283.02505	100.0
284.02988	6.0
285.04071	14.2
286.04425	0.6
297.04028	0.4
445.07840	1.4
446.08572	45.6
447.08981	3.6
448.29492	0.3
453.08072	0.7
488.09430	0.6
489.10495	1.1
513.10425	1.0
531.11530	0.6
573.12488	10.4
574.12921	0.7
615.13617	0.8
675.15808	1.7
693.16901	0.5
735.17841	23.7
736.17816	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	735.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.9
61.98841	1.0
63.02412	0.8
64.02569	0.3
65.00351	0.9
70.49367	0.6
74.55542	0.4
83.01413	0.6
85.02960	0.3
88.98833	0.3
91.34729	0.3
93.03471	0.8
96.95985	0.3
101.02464	0.6
102.89117	0.3
107.01407	1.3
113.02437	0.4
117.03490	1.3
121.02980	1.1
129.24544	0.3
132.02150	0.5
141.03456	0.3
149.99500	0.3
151.00404	3.6
155.05055	0.4
159.04527	1.1
163.00378	0.4
164.01178	0.6
169.01338	0.4
171.04578	0.5
182.03755	0.7
183.04524	4.8
185.02440	0.8
187.04054	0.5
197.02374	0.4
211.04039	3.9
226.02722	0.5
227.03522	4.9
239.03523	0.7
255.03011	55.4
256.03400	3.0
257.04437	0.4
267.06516	0.5
269.04526	0.4
283.02505	100.0
284.03201	15.4
285.04056	20.9
286.04407	1.0
297.04013	0.6
323.05487	0.3
327.05048	0.7
446.08588	21.3
447.09253	6.7
448.09549	0.4
453.08212	0.3
462.15500	0.6
471.09375	0.5
489.10403	0.5
513.10315	0.9
531.11176	0.6
573.12500	9.5
574.13348	0.7
588.98730	0.3
615.13654	0.9
633.14490	0.4
675.15906	0.5
693.16846	0.5
735.17853	46.3
736.18286	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	735.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
61.98829	0.9
63.02416	0.5
65.00360	0.7
69.14877	0.5
69.15288	0.9
71.01389	0.5
81.39923	0.2
83.64788	0.2
89.02448	0.3
93.03464	0.5
101.02452	0.2
107.01418	0.7
117.03447	1.4
121.02957	0.6
134.03723	0.3
141.03481	0.3
151.00380	1.8
155.05057	0.4
159.04547	1.3
164.01202	0.2
167.05037	0.5
171.04529	0.5
173.06094	0.3
182.03722	0.3
183.04529	4.9
185.02448	0.6
187.04012	0.5
199.03976	0.4
209.02612	0.2
211.03987	3.1
213.05501	0.2
226.02798	0.5
227.03491	4.5
228.04062	0.3
229.05103	0.3
239.03618	0.4
255.03003	48.5
256.03412	2.2
268.03735	0.4
269.04388	0.3
282.01740	0.3
283.02496	100.0
284.03021	6.6
285.04053	10.4
285.07285	0.3
286.04376	0.5
296.03262	0.5
297.03964	0.7
439.30124	0.2
445.07849	1.5
446.08582	38.4
447.08981	2.9
456.89386	0.2
471.09488	0.4
477.86160	0.2
488.09570	2.2
489.10031	0.5
513.10345	0.8
531.11517	1.9
535.31244	0.3
556.65833	0.3
573.12518	13.8
574.12903	0.9
615.13623	1.0
633.14575	0.4
675.16150	0.7
693.16736	0.8
735.17853	15.6
736.18018	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	736.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
60.09236	0.1
61.98833	100.0
70.51952	0.2
71.01386	0.1
89.02410	0.1
96.34538	0.1
101.02457	0.1
192.01112	0.1
209.11951	0.2
254.98160	0.1
255.00824	0.1
308.82806	0.1
309.06961	0.1
589.50543	0.1
713.43719	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24672	2.0
59.01387	43.3
61.98835	100.0
69.79053	5.8
71.01390	21.6
73.02954	5.4
74.57519	2.1
83.01402	4.7
85.02962	9.2
89.02453	7.2
96.96006	3.8
98.22011	3.7
99.00873	2.8
101.02459	19.9
111.00880	3.4
113.02464	8.3
116.92902	3.7
121.02953	2.8
125.02392	1.9
149.55792	2.2
160.01736	2.2
161.04564	4.6
170.61519	1.8
284.02908	2.4
458.06482	2.1
459.65591	2.0
471.31131	2.2
531.33356	27.6
548.08582	2.2
633.36432	5.2
675.37823	5.7
693.38739	35.4
694.39026	4.2
734.33966	2.1
736.19214	2.4
736.34467	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	736.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.2
61.98834	36.3
65.64989	1.1
69.40764	2.7
69.41170	3.7
71.01385	5.1
76.00636	1.0
80.02702	1.5
81.03446	2.6
83.05032	2.6
83.48166	1.1
84.90632	1.0
85.02988	1.4
86.32368	1.2
89.02450	4.7
97.02965	4.7
98.22662	2.0
99.00904	1.6
101.02435	4.6
101.27921	1.3
109.06599	32.5
110.03710	1.6
113.02461	3.3
113.88417	1.0
121.06574	1.6
135.08185	4.6
136.05223	1.3
140.16875	1.0
156.74397	1.3
161.04546	2.2
161.09700	1.4
163.11313	16.3
165.79941	1.3
179.05670	1.4
181.12337	4.4
189.09271	4.4
207.10272	100.0
208.10600	5.1
209.11823	1.3
225.11334	37.9
226.11577	1.4
235.08250	3.5
249.18605	74.6
250.18996	4.1
253.09309	13.4
277.21786	2.7
395.29843	1.2
413.30563	1.5
443.19104	7.0
461.20221	15.3
599.69250	1.2
675.37445	1.5
693.38617	38.0
694.38397	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	737.2307
Annotation	Reiniose A
Peak:m/z	Relative Intensity
54.96069	0.5
59.01379	3.9
61.98827	2.4
71.01382	4.2
72.22315	0.5
73.02952	1.2
83.01389	0.9
85.02950	2.1
87.00881	0.8
89.01912	0.5
89.02461	1.0
92.60378	0.5
98.22599	1.6
99.00870	0.6
101.02437	3.3
101.48544	0.5
113.02458	1.6
117.03433	1.0
119.05022	1.1
121.02938	0.8
132.02184	13.8
133.02956	3.0
134.03754	20.1
137.02356	0.7
149.06100	3.5
160.01671	77.0
161.02257	1.6
161.04570	0.5
163.04027	1.0
175.04016	100.0
176.04329	2.9
177.05589	0.8
178.02695	2.2
179.03522	1.2
193.05077	20.9
194.05385	0.6
205.05092	0.5
223.08290	0.6
227.03519	1.0
235.06119	1.2
255.02953	4.1
283.02579	5.9
284.03168	2.1
285.04089	6.9
295.08121	0.6
299.01984	0.9
337.09314	19.3
338.09552	0.8
376.92297	0.6
384.10730	1.2
399.12970	61.7
400.13150	2.2
459.09320	2.3
489.10355	2.0
531.15796	0.6
533.11896	0.6
533.37201	0.7
737.22986	29.1
738.23083	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	737.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.2
59.01385	7.7
61.98823	3.8
62.70150	0.8
64.05069	1.0
69.03448	3.1
69.94223	2.4
71.01382	6.2
71.05016	1.7
73.02927	1.4
85.02934	1.2
89.02442	3.5
97.06583	1.1
98.22537	1.2
101.02444	3.8
101.71767	0.8
104.51553	0.8
113.02460	0.9
114.92750	0.8
119.03508	1.0
125.09709	2.1
151.11292	1.8
153.12860	1.6
161.04597	2.1
161.09685	3.0
179.10796	5.8
197.11845	75.4
198.12115	2.6
223.09819	1.9
241.10873	4.0
247.22649	0.8
253.09264	1.5
277.21756	26.2
345.57462	0.9
477.19827	2.3
551.68213	0.9
737.41217	100.0
738.41577	11.3
748.60815	1.3
768.80267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.1
61.98838	9.2
69.03464	4.6
71.01389	3.8
71.05020	1.1
73.02957	1.6
78.95899	1.0
85.02969	1.2
87.00843	1.0
89.02448	2.4
92.66032	0.9
101.02463	2.7
107.01455	0.9
113.02427	1.2
123.08174	1.5
125.09784	1.8
131.65704	1.0
132.95013	0.9
151.11203	1.7
161.09711	5.2
179.10765	6.9
194.85460	1.1
197.11845	40.2
223.09787	2.4
235.08209	1.1
241.10947	1.5
247.58640	1.1
253.09258	1.8
277.21747	47.7
278.22043	2.6
309.20590	1.2
528.86414	1.0
552.94122	1.1
737.41266	100.0
738.41547	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	737.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.9
65.77927	0.3
81.03464	5.4
81.64697	0.3
81.85535	0.3
83.05032	15.6
100.07639	0.4
107.06138	0.5
108.04575	0.4
125.07196	0.9
126.05555	0.4
143.08260	0.5
153.34105	0.3
207.14989	1.4
224.17706	2.7
225.16092	11.7
226.16365	0.4
242.19131	0.5
258.64154	0.3
309.21649	0.7
324.26663	0.4
333.22931	0.9
341.29037	1.1
367.26999	1.6
433.31714	1.0
450.34454	0.9
451.32895	6.9
452.33133	0.7
519.85785	0.3
550.43451	1.0
593.44452	0.6
659.48138	1.8
677.49695	100.0
678.50043	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	738.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
60.95725	0.2
61.98837	100.0
69.18459	0.4
69.18894	0.6
70.35599	0.1
71.01392	0.7
73.02958	0.2
83.01411	0.2
85.02961	0.4
89.02450	0.3
101.02477	0.6
113.02472	0.4
119.03487	0.2
119.05090	0.2
119.57767	0.1
121.03003	0.2
141.39432	0.2
191.72466	0.2
209.11859	0.4
210.12308	0.2
211.04063	0.2
255.02988	2.3
279.44373	0.2
283.02509	6.4
284.03110	0.5
285.03958	0.2
298.27875	0.1
416.07626	1.4
448.08218	0.2
675.15643	4.0
676.16547	0.4
677.40686	0.4
695.39972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
61.94411	0.3
61.98836	100.0
71.01396	1.4
71.40109	0.3
73.02979	0.5
78.69193	0.3
85.02958	0.7
87.00886	0.3
88.82915	0.3
88.98771	0.3
89.02473	0.9
89.48914	0.3
96.96045	0.3
101.02467	1.3
111.00916	0.5
113.02496	0.5
119.03468	0.4
121.02992	1.3
135.04633	0.3
183.04636	0.4
190.03075	0.4
214.82863	0.3
255.03003	4.2
283.02533	9.4
284.03345	0.4
285.04202	1.3
299.02054	0.4
300.02493	0.3
334.74344	0.3
373.36960	0.4
396.96561	0.3
440.96698	0.3
458.07962	0.3
488.40555	0.3
500.09726	2.4
501.10431	0.6
635.37781	1.9
675.15765	6.3
676.16211	0.9
695.40497	0.9
738.37958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83536	1.1
59.01385	55.5
61.98835	100.0
69.14553	6.9
71.01369	7.8
82.05370	1.2
85.02948	3.8
89.02429	2.9
93.36310	1.1
96.96052	1.5
98.22643	2.0
101.02473	7.5
111.89971	1.1
113.02457	5.1
121.02983	3.0
174.72922	1.2
188.74556	1.3
198.79153	1.1
255.02931	3.1
283.02380	7.3
285.04056	1.6
447.26187	2.3
501.09900	1.5
533.34436	2.9
572.88782	1.5
617.36383	1.6
618.37109	1.7
635.37622	2.1
675.15887	4.1
677.37823	1.5
677.49597	1.4
678.39886	1.4
694.38696	2.2
695.40009	4.5
738.33905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32529	0.1
59.01384	0.4
61.98837	100.0
62.98530	0.1
69.04231	0.5
71.01403	0.2
89.02467	0.3
93.39959	0.1
94.15002	0.1
96.76981	0.1
101.02448	0.2
113.02476	0.1
125.02431	0.1
190.52092	0.1
207.30263	0.1
209.11914	0.2
214.15387	0.1
235.08337	0.1
267.15909	0.1
275.39105	0.1
277.21872	0.2
278.22195	0.3
279.22659	0.1
291.19833	0.1
296.82159	0.1
397.13776	0.2
398.13852	0.2
399.14145	0.4
400.14407	0.2
417.15424	0.1
488.33566	0.1
747.86877	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98835	100.0
62.98534	0.3
71.01400	0.3
71.40408	0.3
76.52367	0.2
83.01456	0.2
89.02470	0.6
97.24680	0.2
101.02470	0.5
113.41780	0.2
169.97275	0.2
207.10164	0.3
209.11899	1.5
225.11636	0.2
253.09370	0.4
277.21817	0.4
279.22415	0.2
291.19382	0.4
293.21176	0.9
398.13806	0.3
399.13998	0.3
400.14551	0.3
421.51523	0.2
500.39322	0.2
545.63123	0.2
738.41510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98836	3.5
71.01399	2.8
73.02941	1.0
78.01595	0.9
80.02682	1.0
80.34490	0.9
81.03474	1.1
83.05032	3.7
89.02463	2.1
94.09016	0.8
101.02456	2.3
102.01105	0.8
118.80735	0.9
123.37309	0.8
133.42746	0.9
163.11316	2.9
165.12840	1.9
171.10287	3.0
199.98763	0.8
207.10295	2.0
209.11838	100.0
210.12160	3.4
225.11484	1.8
227.12897	11.1
235.08336	1.3
249.18608	40.4
250.19028	2.5
253.09268	7.1
277.21771	2.9
279.23270	1.4
340.65558	1.0
445.21021	1.4
638.64807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
61.98836	3.0
69.03457	0.3
71.01387	1.3
71.41853	0.5
73.02930	0.5
81.03468	0.4
85.02952	1.0
87.00882	0.7
87.04566	0.5
89.02451	0.7
95.01404	0.5
96.96009	0.6
97.02982	0.6
97.84823	0.5
99.00902	0.9
101.02466	1.1
106.04253	1.3
111.00953	0.7
113.02467	0.9
119.05097	0.4
121.02972	100.0
122.03299	1.4
122.59966	0.4
125.02473	3.1
128.73148	0.4
129.52078	0.4
134.03755	0.8
135.04536	5.9
143.03571	2.3
147.04488	0.4
154.91504	0.4
160.01680	0.9
160.04073	1.0
161.02356	0.4
161.04480	0.8
163.04001	1.3
164.10822	10.6
164.12140	0.7
169.49132	0.5
175.04022	1.5
193.05099	0.6
231.52097	0.4
265.07318	0.6
272.12918	1.1
399.13214	0.5
409.10965	0.8
536.94397	0.4
574.22913	0.9
656.43311	0.4
739.32037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.4
61.98834	10.1
69.03461	9.3
71.01388	25.3
75.86670	6.2
78.95924	6.3
79.98890	5.1
81.03494	5.3
83.05019	11.7
87.00914	6.4
89.02450	16.6
95.01444	6.6
95.05014	9.1
97.06595	23.0
101.02434	23.3
101.59404	5.1
108.02221	7.1
109.06603	16.0
110.03782	6.7
113.02435	10.3
117.07123	6.9
123.04494	6.4
125.06131	8.9
125.09710	25.2
126.49778	5.8
133.06589	7.0
135.08179	34.3
142.79352	5.7
151.07642	6.0
153.09215	22.6
154.26132	5.1
163.11223	7.9
171.10292	21.4
177.05499	28.2
177.09184	14.9
178.09988	6.2
179.07156	24.6
185.11856	17.8
187.09776	11.7
191.10756	11.3
195.10275	42.2
197.08177	6.8
197.11815	17.9
207.10252	21.8
209.11833	100.0
225.11388	6.8
253.09312	19.1
279.23111	8.4
287.16278	7.1
289.18063	12.9
305.17508	32.5
307.19250	44.6
323.18665	8.9
325.20081	20.2
371.54669	5.5
541.26593	7.9
543.28284	17.2
569.25836	9.8
581.26068	10.2
593.26251	9.7
597.25525	12.6
611.27081	23.7
641.28058	12.8
703.33820	33.7
721.34534	35.8
739.36255	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	739.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81681	3.3
52.49645	3.1
53.37597	3.0
54.64346	3.3
55.54879	2.9
59.01382	50.3
61.98825	18.2
68.59429	3.9
69.03449	3.5
71.01392	31.1
72.27525	3.1
73.02967	5.4
83.01386	5.0
84.95146	6.4
85.00434	27.5
85.02945	6.8
87.00901	7.4
89.02443	26.5
97.02982	5.0
101.02450	26.9
111.40611	3.1
113.02473	14.1
119.03532	7.0
125.02465	8.5
171.10265	43.3
179.05635	6.7
197.11980	4.1
201.11340	5.2
207.10284	10.3
209.11844	16.9
210.12204	5.9
221.06654	5.0
225.11308	22.8
235.08257	14.9
249.18649	4.2
253.09279	15.3
262.03363	3.5
277.21741	61.5
278.21869	3.6
281.24881	96.0
282.25275	5.5
287.07858	4.7
305.08710	6.7
378.60120	3.8
397.13547	100.0
398.13824	5.6
415.14539	36.7
588.06897	3.7
679.38776	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	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97736	0.6
57.03456	1.3
59.01383	9.0
61.98839	2.2
71.01381	6.2
71.05019	2.9
73.02951	1.1
83.05014	1.2
85.02953	0.9
89.02451	2.8
90.86047	0.9
97.02960	3.8
97.06590	2.3
98.22726	1.3
99.00891	19.0
101.02453	3.1
109.06614	2.0
110.03732	2.0
113.02489	1.5
119.03534	0.9
123.08176	1.1
125.09727	6.6
134.18277	0.7
135.08148	1.2
161.04527	1.1
161.20877	0.7
163.11308	10.9
171.10277	6.5
181.12350	19.4
197.11806	1.3
199.13394	13.9
199.48784	0.8
201.11407	1.3
207.08284	1.7
207.10271	30.8
209.11853	1.5
225.11342	51.1
243.12376	29.8
243.14888	1.4
249.18686	1.1
251.58623	0.8
253.09280	2.2
277.21744	20.0
278.22086	0.8
461.20102	3.4
479.21338	10.1
739.42804	100.0
740.43066	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	739.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58701	0.7
57.03448	1.1
59.01382	6.4
61.98821	3.8
62.37832	0.7
71.01386	6.2
71.05017	2.6
73.02931	0.9
85.02960	0.9
87.00855	1.1
89.02444	1.1
95.05037	1.6
96.95986	1.8
97.02968	3.2
97.06585	4.1
98.21799	1.9
99.00276	1.3
99.00893	16.4
101.02450	3.2
109.06569	1.1
113.02461	2.2
114.83544	0.9
119.03612	0.8
123.08176	1.4
124.03413	0.8
125.09696	7.6
136.74846	1.0
163.11295	11.8
171.10313	5.0
181.12367	18.8
197.11972	1.0
199.13361	5.9
201.11386	1.7
207.10278	22.4
209.11838	3.4
210.12166	2.2
210.66386	0.8
225.11336	32.0
226.11662	1.2
227.12912	1.3
243.12383	12.1
249.18564	3.3
250.19096	1.2
253.09306	3.0
277.21735	38.7
278.22141	1.9
281.24625	1.0
313.93237	1.0
377.85281	0.8
395.54266	0.8
397.13486	1.0
398.71027	0.8
401.83246	0.7
461.20132	4.2
479.21649	4.4
666.08954	0.9
739.42773	100.0
740.43146	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	740.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98835	100.0
63.24412	0.2
69.80849	0.5
71.79272	0.2
85.61385	0.2
87.78102	0.1
97.72692	0.1
101.02451	0.2
204.39612	0.2
209.11916	0.2
213.11470	0.2
233.72549	0.2
267.41656	0.2
280.23492	0.2
295.22824	0.2
399.14407	0.2
400.14456	0.2
771.16248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58976	0.1
59.01386	0.4
61.98832	100.0
67.15445	0.1
69.34546	0.4
81.03482	0.1
83.05046	0.2
102.31777	0.1
111.00912	0.1
129.15822	0.1
148.00009	0.1
160.04070	0.2
381.02228	0.1
403.00616	0.1
433.75208	0.1
453.34091	0.1
678.50391	0.2
679.50159	0.9
680.50562	1.6
680.61438	0.1
683.40875	0.1
717.61316	0.1
740.49176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10271	0.7
59.01388	10.8
61.98835	31.6
65.00323	0.8
69.54358	1.6
69.54748	2.3
71.01388	4.7
82.95387	1.0
83.01394	1.0
85.02953	1.9
88.98798	1.3
89.02455	1.8
93.03484	1.1
96.85400	0.7
96.96020	2.3
101.02433	2.2
107.01431	0.8
107.83055	0.7
112.70525	0.7
113.02466	1.6
116.92870	1.3
117.03465	0.9
121.02892	1.3
125.62286	0.9
132.02216	1.0
147.04520	1.1
148.16747	0.8
151.00403	4.6
161.04604	0.8
171.10225	1.7
183.04541	2.8
203.30534	0.7
207.10378	1.5
209.11836	1.5
210.44476	0.9
211.03986	3.2
225.11378	2.9
227.03566	4.5
237.42087	1.0
253.09181	1.2
255.02992	62.1
256.03485	2.5
283.02490	100.0
284.03207	23.8
285.04028	6.6
297.04099	0.9
381.06137	10.1
390.27686	0.9
446.08789	9.1
447.09125	4.3
458.38904	0.8
543.11426	13.6
544.11749	1.1
603.13440	2.1
697.42200	1.1
705.16760	92.3
706.16833	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	741.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67983	0.6
59.01387	5.6
60.99310	18.1
61.98843	3.2
69.11020	4.4
70.18160	0.6
71.01388	2.7
73.02941	1.0
74.11025	0.6
83.01402	0.9
85.02981	1.3
87.00854	0.7
88.70487	0.6
88.98812	100.0
89.02447	2.3
90.27911	0.6
96.96002	0.6
97.02962	0.7
101.02478	2.2
111.00935	0.8
113.02454	1.4
121.02950	1.4
134.03722	1.1
149.02423	1.4
151.00374	2.7
160.01711	1.2
160.04062	2.6
161.04491	1.3
171.04442	0.6
175.04053	2.4
178.02785	0.8
181.05086	0.9
193.05064	1.9
199.04022	1.7
223.06215	0.9
227.03488	1.7
235.06160	1.4
238.82100	0.7
243.02998	1.1
255.03011	1.1
263.41440	0.7
271.02484	31.8
272.02786	1.3
299.01990	62.9
300.02444	4.6
301.03604	7.8
446.08530	21.1
447.08990	3.2
462.28299	0.6
505.09830	2.5
580.68536	0.7
651.15698	63.1
652.16418	3.8
727.74249	0.8
741.36340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81412	0.7
59.01382	3.5
61.56957	0.5
65.00323	0.8
69.54626	2.2
69.54998	1.3
87.00877	1.2
89.02444	1.4
93.03469	1.2
98.22588	0.9
101.02443	0.7
107.01403	1.4
108.02156	0.8
121.03041	0.8
123.04560	0.9
133.02966	0.7
134.03748	1.1
135.00963	0.8
135.04572	0.9
135.08073	0.6
149.01038	0.6
149.02356	0.7
151.00375	2.4
151.03979	0.9
163.00421	1.4
163.42633	0.6
169.06630	0.9
179.03455	0.9
183.04640	1.3
185.06035	1.1
187.04027	1.3
191.05695	1.7
193.05119	1.0
206.42184	0.7
211.04044	1.6
227.03510	10.8
229.05104	3.8
239.03513	1.0
253.03435	0.8
255.03014	34.7
256.03622	2.8
257.04581	2.4
261.46661	0.7
269.04501	1.1
271.02612	1.0
282.99329	1.2
283.02512	36.1
284.03265	31.8
285.04074	92.0
286.04437	3.9
298.04822	0.8
299.01947	1.8
324.02014	0.7
327.05008	2.4
337.08969	0.9
417.15140	0.8
446.08481	2.6
447.09344	4.6
517.17413	0.8
579.13586	100.0
580.13800	8.8
590.86737	0.7
681.29547	0.7
741.18817	7.4
742.20251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
70.74399	0.3
71.01392	1.7
72.99296	0.3
85.02966	0.7
87.00884	0.3
88.98813	2.3
95.01443	0.3
101.02462	0.7
109.02937	1.2
111.00916	0.3
113.02460	0.4
121.02957	1.9
123.00883	1.0
125.02471	0.4
125.74982	0.2
137.02451	5.4
137.03487	0.3
139.03999	0.5
149.02461	0.8
149.06039	0.3
150.03166	0.4
151.00378	9.2
151.03987	1.0
152.01108	0.9
152.04773	1.9
153.05525	0.4
159.04474	0.3
161.04524	0.8
163.04013	0.3
164.01436	0.3
165.01956	0.6
166.02722	37.6
167.03468	2.1
173.02489	0.3
175.04037	0.9
177.01962	1.9
179.03503	0.4
181.05075	52.1
182.05417	1.5
190.06410	0.8
191.03470	0.5
192.04282	0.9
193.05104	0.6
205.05081	0.5
205.08778	0.9
207.06619	0.6
217.05034	0.3
219.06607	0.3
285.04044	0.4
329.10205	0.4
357.13553	0.3
359.11374	1.0
371.15070	0.5
387.10858	9.9
388.11530	0.6
402.13214	7.4
403.13602	0.5
417.15573	100.0
418.15948	8.4
418.21765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09585	5.9
59.01381	15.5
59.76621	5.0
59.80316	5.3
61.98803	8.4
73.96590	5.7
85.73886	5.2
89.02492	6.2
98.22701	10.2
121.02924	21.1
125.43617	5.0
126.83631	5.8
151.55211	5.2
209.11845	100.0
227.12938	26.5
337.25003	5.8
445.20709	7.1
545.38666	6.5
627.45697	6.6
697.41754	8.4
741.34912	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	741.268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59815	3.4
59.01389	48.5
61.98837	100.0
71.01387	21.5
73.02947	6.5
85.02955	6.2
86.12167	3.9
88.98856	5.6
101.02470	7.9
102.81612	3.7
109.06542	4.7
111.00924	5.6
113.02486	8.6
116.92919	7.2
121.02977	6.9
151.91168	3.5
163.11276	5.1
171.10246	12.8
207.10280	12.6
207.92453	3.9
209.11789	9.9
225.11346	12.7
253.09190	5.7
255.03018	4.1
283.02344	5.9
343.24878	13.3
347.05511	3.7
461.20084	4.9
464.17297	3.9
553.25342	3.9
615.29858	6.8
681.38837	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	741.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	64.3
61.98827	10.7
69.18194	29.8
71.01389	19.7
73.02975	6.1
85.02961	5.9
87.00906	7.9
89.02448	20.2
97.02914	4.8
101.02462	17.9
113.02477	13.4
113.77670	5.0
119.03494	4.8
121.02963	7.3
125.02499	5.6
125.09821	4.4
153.28708	4.1
163.11305	5.0
177.09390	4.3
179.05594	6.3
191.14352	5.0
209.11786	11.0
225.11382	6.6
225.81667	4.3
229.99414	4.6
235.08235	6.8
245.19035	11.0
249.57726	4.3
253.09293	5.2
289.18152	55.9
307.19177	100.0
345.42801	5.2
397.13501	57.5
415.14536	44.5
590.02429	5.0
687.31390	5.9
697.41205	5.1
705.33679	5.4
741.31244	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	741.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79227	1.4
59.01392	8.3
61.98829	13.3
69.53938	6.7
71.01373	6.2
83.87558	1.4
99.31635	1.4
101.02448	2.2
109.06596	2.6
113.02496	2.3
134.03828	1.5
163.11351	3.8
171.10205	3.6
187.01457	1.4
207.10265	3.3
209.11841	100.0
210.12280	2.3
225.11371	5.0
227.12918	22.9
235.08356	3.5
253.09377	7.3
315.39139	2.0
445.20667	10.3
461.20273	1.8
465.16541	1.6
625.28857	2.1
637.32043	2.7
741.34656	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	741.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	25.4
61.98823	3.4
64.20143	1.3
68.34037	1.3
69.20230	1.1
71.01395	10.3
73.02936	2.6
81.03457	5.2
83.01397	1.6
83.05043	15.3
84.02174	1.7
85.02962	2.5
87.00887	2.1
89.02435	5.6
95.05017	3.4
97.02957	2.2
97.06593	6.8
99.00871	2.0
101.02433	7.4
104.13063	1.3
107.04955	2.0
109.02911	1.9
109.06587	9.3
110.03708	2.4
113.02457	4.0
117.07128	2.1
121.06566	1.3
123.04533	4.1
125.02434	2.4
125.06094	3.2
125.09740	4.1
127.07618	2.2
133.06606	3.4
135.08188	14.4
137.09689	1.5
139.07593	1.6
141.09207	1.4
141.43401	1.5
143.07103	5.0
151.07648	3.3
153.09256	7.6
161.04593	2.6
161.64063	1.5
163.07686	3.2
163.11308	10.1
165.09183	1.5
165.12819	4.0
169.08716	2.3
171.10291	10.8
179.05713	1.6
179.07130	7.3
180.99806	1.5
181.08737	17.7
181.12277	2.9
182.40941	1.5
185.11882	4.2
191.10811	1.7
197.11835	4.6
199.09694	1.8
201.32719	1.5
207.10254	19.8
209.11853	100.0
210.12225	2.0
211.13399	6.0
212.13783	2.7
213.11461	1.4
215.14458	2.0
217.16150	2.0
223.13423	1.3
225.11288	9.4
227.12877	13.1
233.15419	3.1
235.08189	5.3
235.13556	1.7
253.09323	17.8
259.13507	7.8
277.14508	16.4
279.15985	5.2
289.18066	3.0
291.19617	2.5
295.15494	4.7
297.17062	2.1
305.17505	5.9
307.19324	7.7
325.20142	4.3
461.20163	4.4
469.26007	1.6
541.26794	2.8
543.27863	3.7
563.07135	1.7
599.27557	1.8
687.32886	2.1
697.41595	2.3
705.35126	7.0
723.36176	16.2
724.36407	2.2
741.37042	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	741.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
59.01381	39.7
61.98830	7.3
69.56956	3.4
69.57349	3.6
70.79163	1.7
71.01373	8.6
73.02945	3.2
80.02681	3.3
81.03469	4.9
83.01395	2.4
83.05036	27.4
85.02943	3.2
87.00901	2.6
89.02449	7.3
90.40618	1.5
90.44674	1.5
93.03473	4.1
95.01411	1.8
95.04996	2.6
96.96007	3.1
97.06612	5.1
99.00880	2.2
101.02474	8.0
106.53196	1.6
107.05026	5.1
109.06599	5.7
113.02485	5.6
114.46133	1.6
119.03509	1.6
121.02945	3.8
125.02464	2.9
125.06079	3.8
125.09720	6.6
133.93973	1.7
135.08197	11.8
137.02489	3.4
137.09732	3.2
143.07141	3.1
151.11293	1.5
153.09204	10.1
161.04634	2.6
163.07623	1.9
163.11301	5.2
165.12872	3.8
171.10284	4.2
178.10017	2.1
179.07198	2.2
181.08723	62.9
181.12303	2.8
185.11740	3.5
191.10797	3.3
197.11845	14.9
199.09703	10.4
207.10289	10.0
209.11842	100.0
210.12161	4.0
225.11310	6.6
227.12891	6.0
235.08200	4.0
236.10570	3.1
239.16441	2.0
243.17340	2.5
253.09236	16.3
259.13422	1.7
261.18582	4.1
277.14648	1.9
277.18256	2.6
283.69379	2.2
287.16415	9.6
305.17606	70.5
305.21100	4.0
306.17935	4.0
309.20551	1.9
323.18500	12.9
451.01450	1.6
523.25568	2.6
541.26563	30.4
542.26971	2.7
559.27765	5.5
643.29761	3.9
672.29663	1.9
697.42175	5.4
705.35004	7.3
723.36011	19.0
724.36664	2.2
741.36609	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	741.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49911	1.5
55.43245	1.4
57.80728	1.5
59.01387	22.1
61.98825	6.1
63.64766	1.4
69.03457	3.5
71.01393	8.4
71.05010	2.2
71.41814	1.4
73.02946	2.8
83.04995	1.7
84.59245	1.6
85.02982	2.0
87.00914	2.1
89.02450	4.1
95.04987	1.8
96.96004	3.2
97.02929	2.3
97.06659	3.0
101.02440	6.2
107.05038	2.1
111.08155	2.1
113.02456	3.3
113.09792	2.6
123.08195	3.5
125.09690	4.4
131.82669	1.6
138.67590	1.6
141.09192	2.7
143.07048	1.8
151.07658	3.1
151.11317	3.1
153.09219	2.5
153.12799	1.7
161.04507	2.2
161.09708	2.9
165.09096	1.5
165.12875	3.0
167.10817	2.0
169.08699	2.0
169.12285	1.6
171.10272	7.5
179.10812	7.3
181.08736	3.7
181.12367	1.4
185.11839	5.3
195.10309	2.1
197.11847	87.4
198.12183	4.1
199.13344	1.8
201.11250	2.5
207.10266	2.9
209.11819	10.6
213.11394	3.4
219.17627	2.0
223.09720	2.0
225.11365	3.9
227.13058	1.6
235.08344	3.3
241.10805	3.5
253.09291	6.6
263.16611	4.0
281.17618	6.2
289.18195	4.4
291.19711	7.9
295.19098	1.6
305.17712	1.8
307.19156	5.7
309.20599	8.7
351.58063	1.5
365.19037	1.9
459.18542	1.9
477.19904	2.8
741.37091	100.0
742.37604	12.4
752.75812	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	741.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77808	4.6
53.93901	4.6
55.26785	4.3
59.01369	6.7
61.98835	100.0
98.22666	12.1
100.03263	5.1
110.25998	4.2
118.30164	4.4
169.12404	4.7
171.10297	8.9
183.45993	4.4
197.11864	9.3
209.11853	17.5
227.12932	5.2
249.18616	6.5
291.19736	5.5
305.17624	13.4
307.19092	8.2
325.20300	7.9
344.13745	4.8
422.51981	4.9
492.90610	5.2
687.41663	7.6
705.42566	6.5
741.40240	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	741.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.9
59.01392	13.8
59.92517	1.7
61.98826	7.5
69.03443	2.3
70.11089	1.9
71.01382	8.3
72.65470	1.7
72.68517	1.8
83.05024	2.3
84.37760	2.0
85.02951	2.7
85.71479	2.1
89.02470	6.3
95.05011	2.1
97.06586	7.4
98.22701	4.1
101.02449	7.2
113.02499	3.8
119.09172	1.9
123.83096	2.1
151.11316	21.0
161.04570	2.1
163.11308	4.2
165.12869	2.4
169.12363	100.0
170.12772	2.5
171.10297	14.4
185.11888	4.3
195.10220	2.9
197.11829	4.5
206.25998	2.0
209.11923	11.6
213.11282	18.3
219.23462	2.0
223.13506	2.8
235.08336	3.3
247.20712	4.7
253.09251	7.4
263.16437	2.1
291.19711	36.8
309.20764	31.8
332.68973	2.0
363.79318	2.2
431.19150	3.1
449.20151	9.0
741.40686	99.6
742.40863	8.0
766.55969	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03432	0.7
59.01383	9.9
61.98827	3.2
69.03455	1.5
69.27070	0.6
71.01379	5.9
71.78533	0.6
72.02188	0.6
73.02949	1.7
80.30635	0.6
81.03486	0.7
83.01401	1.3
83.05025	3.0
85.02946	2.8
87.00881	1.7
89.02441	3.6
95.01443	0.7
95.05025	1.0
97.06540	0.7
98.33884	0.6
99.04573	1.0
99.55248	0.7
101.02440	4.2
109.06559	0.9
113.02457	2.7
123.08149	1.4
125.09755	3.4
127.07626	2.2
135.08165	1.9
141.09242	0.7
143.03548	0.7
153.09212	10.4
153.12883	1.3
155.10812	1.0
159.21591	0.7
161.04544	2.0
163.11267	2.3
165.12764	1.6
167.10783	1.3
169.12343	6.8
171.10294	13.6
178.09985	2.3
179.05663	1.1
181.08667	1.0
181.12372	0.8
185.11867	6.1
191.10800	1.3
195.10298	2.2
197.11841	100.0
198.12169	2.9
203.02538	0.7
207.10306	0.9
209.11833	30.8
210.12112	1.0
211.13406	1.2
213.11368	3.2
225.11356	0.8
235.08218	4.8
236.10428	0.7
238.12076	1.0
245.18985	1.4
253.09262	9.4
263.20261	1.1
279.19696	0.8
289.18091	8.7
291.19739	3.7
305.17624	0.9
307.19174	43.5
308.19583	2.2
309.20728	4.7
325.20233	18.5
433.20813	4.4
439.40588	0.7
487.30261	0.8
525.26929	3.6
543.28162	11.0
561.29114	2.2
654.32550	1.9
723.39630	7.5
741.40521	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	742.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01741	0.4
61.98827	1.6
71.01409	1.0
87.86904	0.3
89.02470	0.5
96.96037	0.4
121.02999	1.6
166.53287	0.3
171.10371	0.5
179.07170	0.3
207.10245	0.8
208.10637	0.5
209.11769	0.8
269.60425	0.3
308.19626	0.4
698.42480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01709	0.7
61.98835	2.9
71.01388	1.1
72.20634	0.3
73.02967	0.5
83.05022	0.5
98.21799	0.7
101.02461	0.5
120.17883	0.3
121.02969	21.3
122.03336	0.7
135.52357	0.3
152.10422	0.3
153.09227	0.5
163.11362	0.5
170.58272	0.4
171.10335	0.5
181.08797	0.8
209.11842	5.7
209.13695	0.4
227.12939	0.7
235.08089	0.6
253.09383	0.7
279.16232	1.0
297.17218	0.5
307.19354	0.8
330.08392	0.4
500.56567	0.5
697.41748	1.1
698.42358	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	742.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53645	0.2
59.01384	0.4
61.98834	0.4
67.01894	9.9
74.97326	0.2
76.08111	0.2
77.83689	0.2
79.68378	0.2
85.02958	2.7
88.53279	0.2
91.75440	0.2
111.00893	100.0
112.01253	1.5
121.02958	2.7
129.02002	0.5
140.28487	0.2
502.67160	0.2
594.25525	0.2
628.08716	0.2
656.57056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03338	1.3
55.01876	1.5
57.03418	1.5
57.34222	1.1
58.53922	1.3
59.01384	49.1
61.98837	7.2
69.11658	9.3
71.01382	11.8
71.04994	1.6
73.02969	3.0
74.81245	1.3
75.00893	1.2
80.02696	1.7
81.03461	4.2
83.01379	1.9
83.05032	29.4
84.02180	2.9
85.02955	4.9
87.00893	2.3
89.02456	8.8
95.05048	2.4
96.96020	2.4
97.02959	1.3
97.06596	4.8
98.21880	2.4
99.04518	1.4
99.08153	2.2
101.02458	9.9
107.04960	1.5
109.06608	7.6
113.02457	5.0
119.03483	3.6
121.02955	5.3
124.97376	1.2
125.06116	2.5
125.09726	5.8
127.07666	2.2
127.11243	1.8
131.36171	1.2
135.08156	10.3
137.09714	3.6
139.07657	1.9
143.07141	7.0
153.09215	19.3
155.10779	2.2
161.04588	3.3
163.07706	2.8
163.11316	6.2
165.12819	3.5
171.10297	33.9
181.08720	79.4
181.12189	2.8
182.09119	2.4
183.10283	1.4
183.13925	1.7
185.11894	6.2
191.10742	2.8
191.14410	1.9
197.11858	6.0
199.09795	12.1
201.11165	1.9
202.27141	1.4
207.10219	5.7
209.11848	100.0
210.12172	3.8
211.13577	1.7
213.80867	1.5
225.11317	3.4
227.12898	8.5
235.08238	4.7
238.12054	2.3
245.19173	2.3
253.09296	20.8
261.14703	2.2
279.16052	8.6
289.18134	12.1
297.16992	5.9
297.20493	2.4
299.18829	2.1
307.19177	65.8
308.19550	4.6
309.73694	1.2
325.20221	30.7
326.20505	2.3
363.21667	1.6
407.18893	1.8
445.20917	2.2
454.22946	1.7
474.21024	2.4
525.26721	2.8
543.28180	22.0
561.29071	6.5
581.30115	1.6
638.28210	1.4
656.30499	3.2
699.42407	5.7
707.35883	7.6
725.37494	9.7
743.37634	5.3
752.82654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96039	1.5
57.03439	2.5
59.01385	78.8
60.01716	2.1
61.98829	5.3
69.03470	1.7
71.01392	11.6
71.05008	2.0
73.02935	3.0
80.02664	3.3
81.03467	5.1
83.01406	3.0
83.05041	29.4
84.02178	2.7
85.02950	3.4
87.00882	2.0
89.02451	6.7
95.05043	4.4
97.02959	1.3
97.06601	4.1
99.04557	2.1
101.02439	6.8
101.99645	1.1
109.06617	6.4
112.05278	1.6
113.02457	4.8
119.03563	2.1
119.29518	1.1
121.02957	10.2
122.03297	2.0
123.04493	1.6
125.06058	2.4
125.09716	5.8
127.07688	3.8
135.08183	11.1
137.09720	3.6
139.07687	1.5
141.56102	1.4
143.07162	7.6
153.09230	23.4
160.17641	1.2
161.04622	2.8
163.07726	1.8
163.11290	5.8
165.12886	1.8
171.10278	34.8
178.09982	3.4
179.05629	2.3
180.07547	1.5
181.08722	84.8
181.12173	2.7
182.09029	1.4
185.11868	6.7
191.10770	4.8
197.11853	6.4
199.09785	9.2
201.11307	1.8
207.10304	1.8
209.11855	100.0
210.12184	2.7
217.15994	1.3
221.12010	2.3
225.11391	2.2
227.12880	8.4
235.08194	4.7
238.12038	2.6
245.19208	2.0
253.09279	22.7
254.09714	1.7
261.14911	2.8
278.72873	1.2
279.16006	7.9
281.21268	1.2
289.18073	12.8
297.17035	4.5
297.20493	2.0
307.19183	68.7
308.19339	2.5
325.20218	33.1
326.20462	1.3
327.21887	1.9
363.21896	1.4
402.48309	1.2
407.19327	1.4
474.20981	2.2
521.98706	1.3
525.27026	2.4
543.28156	24.6
544.28650	1.5
561.29285	8.0
583.27289	1.4
656.30975	2.4
699.42706	5.1
707.36029	6.9
725.37683	10.5
743.38257	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	743.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58836	5.1
59.01377	7.3
60.84192	6.4
61.98833	100.0
68.37292	5.7
75.43209	5.7
80.02013	5.8
80.13561	6.4
95.21211	5.4
116.92884	6.6
151.51289	6.6
171.10255	7.3
179.51112	6.2
209.11882	10.4
307.19159	21.6
325.20084	24.8
397.13547	8.5
454.27121	6.4
697.32587	7.3
728.15222	6.4
743.40588	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	743.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.95409	23.4
60.48266	26.3
61.98814	84.6
69.74391	89.6
88.86390	26.2
98.21868	25.6
171.10202	26.6
184.06900	23.6
200.17734	25.6
207.14005	26.4
209.11800	81.5
216.55042	23.1
281.34085	26.6
307.19028	100.0
309.47922	24.1
325.20151	33.4
653.64581	26.5
689.42078	51.0
743.41943	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10128	18.6
61.98843	100.0
78.94476	15.9
84.62074	16.6
93.77155	15.4
98.09381	18.5
145.42030	19.4
213.55421	15.4
220.43726	15.8
253.09073	19.8
305.17731	30.4
325.41241	17.5
397.02362	18.3
528.50049	19.9
689.42938	25.8
720.33215	17.9
743.41742	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
55.80491	1.0
57.03452	1.0
59.01386	100.0
60.66583	1.0
61.98549	1.8
61.98842	26.6
65.68387	1.0
69.11707	4.7
69.12111	2.6
70.03170	1.2
71.01392	21.6
73.02939	6.0
82.28808	0.9
82.95419	1.7
83.01408	3.1
83.04996	1.2
85.02971	9.9
87.00890	3.0
88.98822	1.4
89.02451	5.3
91.96227	1.1
95.01416	2.5
96.96026	1.9
98.22632	2.4
99.00890	1.5
101.02454	12.5
109.06612	1.6
111.00904	3.2
113.02457	7.8
116.92841	1.7
119.03487	3.0
121.02972	3.9
161.02448	1.1
161.04556	3.4
163.11349	1.1
171.10278	4.0
193.04956	1.3
198.15588	1.1
199.09779	3.3
201.11360	6.0
207.10277	3.5
209.11855	21.7
210.12305	2.0
225.11281	5.3
227.12981	3.0
235.08200	2.2
243.12021	1.4
253.09361	3.2
255.02927	1.7
283.02441	1.5
290.23163	1.2
300.37463	1.2
443.31818	2.3
451.21484	1.2
461.20673	2.1
461.32922	6.9
605.36957	24.9
606.37085	2.7
623.38043	15.4
624.39081	3.0
665.39203	61.0
666.39886	8.2
683.40125	5.2
699.40771	1.4
743.38092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
67.01897	5.9
69.41925	1.3
69.57636	0.3
69.96581	0.3
71.01405	0.5
80.10596	0.4
85.02958	100.0
86.03300	0.9
98.22618	0.6
111.00893	98.7
112.01256	1.3
113.02444	0.7
113.76056	0.4
115.34241	0.3
121.02972	9.6
129.01970	7.4
130.04274	1.0
141.24150	0.4
143.05040	0.5
145.06633	0.6
178.11476	0.4
191.31882	0.4
233.98846	0.4
360.18347	0.7
390.19055	0.5
392.20880	1.4
416.20779	1.7
420.20108	2.4
434.21823	9.1
435.22165	0.9
439.31424	0.4
452.22980	2.7
617.55188	0.4
700.29791	16.4
701.29932	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	744.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75508	0.1
59.01374	0.2
60.51048	0.1
61.98826	0.6
65.00326	0.1
67.01896	7.9
68.02231	0.2
70.59863	0.2
71.01386	0.1
79.50101	0.1
83.01380	0.6
85.02961	3.7
86.03278	0.1
90.02345	0.1
107.76965	0.1
111.00891	100.0
112.01229	1.8
121.02972	3.5
129.01961	1.9
136.98842	0.1
149.02470	0.2
150.03279	0.2
154.99878	1.2
162.03201	0.2
165.05592	0.3
170.74110	0.1
173.00917	1.5
177.05658	0.2
195.06662	0.3
196.00848	0.1
216.31815	0.1
631.19482	0.1
700.29688	0.2
744.28815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01721	0.6
61.98831	1.6
68.61201	0.4
87.01719	0.4
98.22798	0.6
103.01507	72.1
104.01860	0.8
104.63627	0.4
105.58341	0.5
149.55154	0.4
162.20456	0.4
209.11754	0.4
243.05846	0.5
247.06250	0.4
313.71933	0.4
395.40338	0.5
481.14807	1.4
531.75922	0.5
540.16150	0.8
555.18829	3.7
556.19244	0.7
641.22101	1.2
659.22839	1.1
701.24994	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33139	1.0
57.03439	1.6
59.01386	11.1
61.98838	100.0
67.01891	2.5
68.86241	1.1
71.01383	5.6
73.02966	1.0
85.02979	3.6
87.00873	1.2
88.98830	1.3
89.02428	6.0
91.20328	1.2
93.03477	3.6
96.96059	1.3
101.02457	3.9
107.39955	1.0
108.02211	1.3
111.00894	31.8
112.01244	7.4
112.04145	1.2
113.01342	2.5
113.02457	2.7
119.03486	2.3
119.05051	1.2
121.02962	15.6
122.03802	15.3
124.01733	1.6
134.03792	2.4
135.04536	4.7
136.01671	12.1
137.02470	2.7
143.03517	1.4
149.02448	21.8
150.03241	90.5
151.00397	2.1
151.04054	16.5
153.01968	1.3
155.49265	1.2
160.01692	1.9
161.04692	1.1
161.06110	1.1
162.03276	1.1
163.04001	2.1
164.04834	4.2
165.05585	89.6
166.02730	10.6
166.05928	3.3
167.03452	2.0
175.04050	2.5
180.04350	7.6
181.05083	14.8
189.05682	2.3
190.06386	2.2
191.07199	1.3
193.05162	1.2
195.06645	70.6
196.06955	2.8
205.05038	2.0
271.09790	1.5
315.97601	1.2
335.22403	2.0
339.08850	1.3
342.11227	1.3
356.12888	1.4
357.09689	2.6
357.13538	7.8
369.13699	2.7
372.12418	2.8
373.12994	1.5
387.14536	34.5
388.14838	2.4
497.27783	5.7
535.19830	32.8
536.20416	3.5
553.21521	1.5
583.21967	25.5
584.22284	1.9
703.17175	1.2
704.24915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.7
61.98838	15.0
68.99805	0.7
71.01384	4.7
73.02953	1.4
75.77438	0.6
75.97420	0.6
80.91695	0.7
85.00471	0.9
85.02957	1.4
88.98819	1.3
89.02000	0.5
89.02454	3.3
93.03464	4.4
96.96029	0.7
99.00968	0.6
101.02467	2.3
107.01422	0.6
108.02190	1.6
109.02964	0.7
111.00902	2.6
112.98546	0.6
113.02462	1.7
115.55515	0.5
119.03524	1.5
121.02973	5.3
122.03757	13.5
123.04567	0.9
124.01668	0.7
133.02992	1.7
134.03702	1.4
135.04547	1.1
136.01654	9.6
137.02463	1.9
149.02438	13.6
149.04333	0.7
150.03238	90.0
151.00421	2.0
151.04031	12.1
160.01686	0.8
161.02423	1.0
161.04604	0.6
162.03209	1.6
163.03995	1.2
164.04875	3.0
165.05582	100.0
166.02733	9.6
166.05029	2.5
166.06107	1.9
167.03447	1.1
174.99129	0.6
175.04005	1.5
176.01025	0.7
176.04718	1.0
177.05577	1.7
179.03517	0.6
179.05624	0.8
180.04306	6.3
181.05083	10.1
189.05661	1.0
190.06418	1.1
193.05025	1.3
194.05595	0.7
195.06635	89.2
196.06944	3.4
205.05116	0.8
243.03003	0.7
255.03014	2.2
271.02490	6.8
300.02747	8.4
301.03125	1.0
317.21176	1.9
329.10318	1.0
335.22293	4.9
342.10953	0.8
357.09656	2.9
357.13461	6.7
372.12219	1.2
373.12564	0.6
387.14505	25.0
388.14966	1.3
497.27579	21.5
498.27817	0.8
535.19623	2.6
539.28784	2.8
553.20758	1.5
583.21832	20.1
584.22510	2.4
709.15997	5.5
710.16534	1.1
745.25409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03443	2.1
58.00587	1.5
59.01386	31.8
61.98836	34.7
65.00355	2.5
69.36244	5.0
71.01392	20.7
72.01711	1.0
73.02949	10.7
75.00877	1.5
76.81653	1.0
83.01379	5.6
85.02958	12.4
86.00092	1.3
87.00887	3.0
88.98827	1.0
89.02456	10.2
93.03457	2.2
95.01381	2.3
96.96013	1.5
99.00883	3.2
101.02451	26.5
106.20833	1.1
107.01384	3.8
108.02205	1.8
109.02943	3.7
111.00859	5.6
113.02468	9.4
119.01404	1.1
119.03503	1.7
119.05025	2.9
121.03004	5.1
122.03723	3.5
123.04520	1.5
125.02467	1.5
132.02129	1.9
134.03764	3.2
135.04541	5.7
136.01651	3.3
137.02454	2.4
143.03499	1.6
145.02975	1.5
145.08755	1.1
147.08018	1.0
149.02458	7.5
149.06024	2.1
150.03261	17.8
151.00386	13.1
151.04001	5.2
152.01054	1.1
152.04652	1.3
159.03049	1.4
160.00426	1.0
160.01674	5.0
161.02327	1.7
163.04057	5.5
164.04758	6.8
165.05595	15.0
166.02768	1.8
166.06325	1.2
167.01889	1.4
167.03426	2.7
175.00401	4.9
175.04027	7.2
176.04721	1.9
178.99884	1.5
179.03499	2.4
180.04312	2.1
181.05084	14.0
182.05798	1.3
187.11189	1.1
190.02699	9.3
190.06297	1.6
191.03224	1.7
191.05609	2.5
193.05087	3.1
194.05666	1.3
195.06648	10.6
196.07426	21.7
197.08179	2.3
205.05157	9.3
206.05467	3.2
209.04660	1.4
209.08246	1.9
211.09773	37.6
212.10011	1.3
223.06073	2.0
224.06339	1.1
227.03523	1.5
243.02811	1.6
271.02518	12.7
271.35886	1.1
272.02725	1.3
277.13025	1.2
285.04233	1.3
299.02017	21.9
300.02676	4.7
301.03528	8.3
327.12134	1.5
328.12650	1.7
329.13718	2.3
358.12643	7.3
367.10278	10.8
368.10773	4.7
369.10974	3.2
373.15079	67.1
374.15433	2.4
387.14514	8.1
399.12842	5.9
462.07941	2.1
496.08969	1.7
505.19675	1.6
535.19763	9.9
553.20691	1.4
583.11267	14.8
583.23962	100.0
584.11652	2.4
584.24341	9.7
709.15698	6.2
727.25012	3.4
741.42444	1.4
745.15009	6.0
745.27917	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	745.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58127	11.1
59.01382	100.0
61.98847	78.5
69.26110	78.1
71.01378	19.7
78.87993	12.2
89.02439	16.4
98.21836	20.6
123.62956	12.2
169.21205	11.8
180.28250	13.3
189.24576	12.7
209.11830	16.1
226.94713	14.1
450.58905	12.7
510.25790	15.2
647.00854	14.8
709.37018	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	745.431
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36880	20.2
60.65099	21.2
61.98826	93.6
67.02572	20.6
69.26561	100.0
78.95907	22.9
169.40137	21.8
206.66133	21.2
307.19089	46.6
327.21698	24.0
370.97977	22.6
511.78268	21.1
541.50299	22.4
691.43701	25.9
745.42975	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	43.3
61.98837	100.0
69.63636	16.9
72.17508	19.6
89.97763	16.5
90.92480	15.3
94.90899	15.6
96.06696	16.7
96.77216	16.2
97.11983	17.7
199.09880	19.5
207.66188	17.9
307.19189	30.0
313.49228	17.6
325.20349	25.8
327.21841	40.8
386.36142	16.7
409.32108	17.0
745.42584	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59482	0.4
55.67102	0.4
59.01395	2.4
61.98828	0.8
71.01398	1.0
76.67373	0.4
83.01394	0.5
85.02970	0.5
86.79723	0.4
89.02472	1.0
96.96011	1.0
97.05122	0.4
101.02437	0.7
119.03533	0.5
121.02949	0.8
121.70127	0.4
133.00003	0.4
135.04546	2.6
140.07202	1.2
156.38869	0.4
165.05519	0.7
169.06613	6.2
193.05037	0.4
197.06096	98.4
198.06453	4.5
221.97818	0.4
255.12665	100.0
256.13022	4.8
270.15021	45.8
271.15314	2.8
314.14017	75.5
315.14383	4.4
358.13016	1.1
591.28662	0.4
631.72705	0.4
686.17468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
61.98840	5.4
65.00345	0.8
69.72143	0.6
69.72493	0.9
71.01394	0.4
85.02971	0.4
85.61806	0.3
93.03490	0.7
95.04984	0.4
96.96031	1.0
98.22617	0.4
103.72350	0.3
107.01404	1.1
117.03467	1.6
133.40492	0.4
134.17885	0.3
139.04059	0.6
141.03531	0.4
151.00421	1.7
155.05066	0.7
159.04588	0.5
171.04549	0.4
182.03699	0.6
183.04517	4.6
185.02464	0.7
187.03918	0.4
199.04007	0.7
211.04045	3.2
215.03300	0.4
226.02773	0.5
227.03525	4.1
255.03017	46.8
256.03424	1.5
283.02515	100.0
284.03052	6.3
285.04080	22.0
286.04431	1.0
327.04938	0.4
441.08228	1.3
458.08621	6.4
459.09171	1.1
500.09720	21.4
501.10336	9.7
531.11438	2.8
573.12604	0.6
687.15619	2.0
705.17377	0.6
711.39703	0.4
747.17877	35.9
748.18237	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	747.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34121	0.2
59.01385	2.3
61.98831	1.2
63.02151	0.3
63.02427	0.6
65.00339	0.6
70.78688	0.6
71.01392	0.3
83.05006	0.2
85.02940	0.3
93.03493	0.4
107.01427	1.1
115.11932	0.3
117.03466	1.6
123.73073	0.3
135.00896	0.3
141.03421	0.3
151.00381	1.8
155.05063	0.7
159.04552	0.7
167.05023	0.3
171.04497	0.4
173.02422	0.3
182.03760	0.6
183.04533	4.5
185.02435	0.5
209.11806	0.2
211.04045	2.6
213.60144	0.3
227.03496	2.8
239.03468	0.4
255.03008	45.7
256.03433	1.6
283.02502	100.0
284.03009	4.1
285.04053	3.7
296.03323	0.6
415.06601	1.2
416.07538	39.3
417.08124	1.2
453.08511	0.4
555.11432	0.4
573.12775	0.3
585.12836	0.3
615.13879	2.6
645.15125	0.5
687.15680	0.8
705.17120	0.6
712.70892	0.3
747.17841	25.7
748.18152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96448	0.4
59.01388	5.3
60.32621	0.5
61.98825	2.1
62.25942	0.4
63.02410	0.8
65.00337	0.7
85.02927	0.6
90.05389	0.4
93.03470	1.0
107.01395	1.0
117.03479	1.5
137.74715	0.4
147.24399	0.5
151.00345	2.4
155.05037	1.0
159.04471	1.8
176.28117	0.4
182.03769	0.8
183.04497	7.0
185.02562	1.0
187.04070	0.5
190.87097	0.5
209.11876	1.1
211.04030	4.3
226.02754	0.6
227.03514	6.8
239.03612	0.5
255.03004	65.2
256.03406	2.5
257.04596	0.6
283.02502	100.0
284.03076	6.1
285.04068	35.5
286.04422	1.5
303.03024	0.5
435.85678	0.4
441.08231	0.7
541.09692	2.8
542.10687	48.6
543.11456	32.4
544.11914	1.6
572.43018	0.6
687.15430	2.2
747.17853	20.6
748.17969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23739	0.4
54.29059	0.4
59.01385	12.3
61.98834	3.7
63.02396	0.5
65.00351	0.7
69.60080	1.4
71.01385	2.7
73.02945	0.7
82.95425	0.4
85.02975	0.8
89.02457	1.7
95.01424	0.4
96.96032	0.5
101.02464	1.8
103.01504	1.6
106.73672	0.4
107.01402	0.8
113.02477	1.0
117.03482	1.3
134.06143	3.8
151.00391	1.5
152.07227	0.9
159.04556	1.3
173.02412	0.5
183.04520	4.1
185.02272	0.5
209.11934	0.5
211.04024	2.6
215.03688	0.4
227.03459	2.3
253.09816	0.5
254.10733	1.2
255.03024	40.8
255.11485	1.0
256.03415	1.4
283.02515	100.0
284.02991	5.0
285.04099	4.3
386.15131	2.3
401.17410	2.1
415.06854	0.8
416.07529	30.8
417.07880	1.2
420.19214	0.6
473.54993	0.5
488.09613	3.1
555.12219	0.5
581.24084	1.8
615.13788	3.2
625.22815	2.0
703.29785	1.6
705.17218	0.6
747.17920	27.7
747.29425	7.1
748.18005	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.7
61.98838	7.5
63.02415	0.5
65.00328	0.5
65.17354	0.3
66.62870	0.3
69.22311	1.8
70.37760	0.3
71.01399	1.2
73.02973	0.5
74.68970	0.3
77.19395	0.3
82.95457	0.3
84.95102	0.3
85.02971	0.6
87.00852	0.3
89.02459	1.0
93.03471	0.4
96.96041	0.5
98.21870	0.6
101.02440	1.2
105.65701	0.4
107.01418	1.1
113.02479	0.8
116.92910	0.4
117.03491	1.7
121.02981	0.6
127.04009	0.5
129.03439	0.3
137.02484	0.3
141.03470	0.5
151.00368	1.3
155.05040	0.5
159.04562	1.2
161.04582	0.4
167.04919	0.3
167.86261	0.3
171.04469	0.4
179.05602	0.4
182.03775	0.6
183.04532	5.6
185.02460	0.6
199.03963	0.6
211.04004	2.9
226.02750	0.5
227.03529	3.5
239.03455	0.3
255.03015	47.4
256.03461	1.9
283.02505	100.0
284.02945	3.9
285.03998	2.3
296.03110	0.4
326.04208	0.4
381.06219	0.6
458.08588	0.7
483.09082	0.5
487.08795	1.0
488.09647	50.0
489.10095	2.8
541.30365	0.3
543.11517	3.2
553.64502	0.3
585.12604	0.7
633.36456	0.8
651.38416	0.4
687.15594	0.5
693.38422	3.9
705.17126	0.4
711.39795	2.1
747.17926	25.4
747.37518	8.0
748.17798	1.7
778.21350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
58.00603	1.4
59.01384	100.0
61.98832	20.4
69.76192	2.3
71.01386	51.3
72.99296	1.6
73.02955	1.0
76.61074	0.8
82.95415	11.0
85.02960	6.8
87.00878	2.5
89.02451	72.9
95.01426	3.9
98.22682	1.0
100.31374	0.8
101.02451	28.2
111.00887	1.0
113.02452	21.7
119.03512	32.4
120.03904	0.9
121.02974	2.2
122.03794	4.3
129.90433	0.8
131.03517	3.2
140.62807	0.9
143.03531	5.3
149.02472	9.0
149.04538	2.9
150.03235	30.4
151.03600	0.9
160.01730	1.4
161.04584	4.1
162.03281	1.4
164.04779	1.3
165.05569	24.7
179.05632	12.1
179.07126	1.2
180.04329	1.7
195.06628	20.7
242.09480	0.9
244.28229	0.7
259.43573	0.8
270.09109	1.1
283.02750	0.9
285.11441	1.4
298.08459	1.3
310.08517	1.1
313.10806	1.8
325.10754	1.8
326.07996	0.9
341.10321	11.7
356.12698	4.8
371.14993	22.8
372.15472	1.1
493.61035	1.0
519.20325	10.3
628.33307	1.0
747.28375	3.3
778.09937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.2
57.03462	1.0
58.00639	1.1
59.01384	100.0
61.75285	0.8
61.98837	38.4
65.57154	0.9
71.01387	53.8
72.99310	1.4
73.02949	1.5
78.95962	0.8
82.95426	3.4
83.01411	1.6
85.02956	9.7
87.00917	2.1
89.02452	68.6
90.02820	0.7
93.03474	2.1
95.01438	2.2
95.64816	0.7
101.02454	28.9
101.28805	0.9
111.00901	2.0
112.01227	0.8
113.02459	23.4
119.03513	30.5
121.03004	3.2
122.03767	7.5
131.03502	3.8
135.04515	1.7
136.01773	1.5
143.03522	5.5
149.02443	11.1
149.04617	2.1
150.03238	46.2
151.03810	2.4
160.01706	1.6
161.04584	3.8
164.04799	1.5
165.05585	36.4
166.05968	1.6
179.05615	11.2
180.04315	1.5
180.08043	1.0
181.05069	1.1
195.06645	22.0
196.07004	1.1
198.74065	0.8
210.22495	0.9
242.09668	1.1
270.08966	1.6
271.09732	0.8
283.02802	0.8
285.11383	2.2
298.08389	1.2
313.10931	1.8
324.09991	1.3
325.11011	1.6
326.08054	1.9
341.10287	12.3
356.12613	6.9
357.13562	1.0
371.15015	22.8
372.15497	1.7
387.14667	1.1
388.14767	1.0
389.15283	1.0
441.17548	0.9
519.20160	1.1
537.20496	1.7
585.23273	1.1
695.12091	0.9
747.29327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.9
61.98840	14.6
62.61719	0.8
70.26038	0.8
71.01381	6.7
72.55916	0.8
73.02947	1.6
82.42055	0.7
85.02951	2.3
87.00897	0.9
88.98800	1.1
89.02444	5.6
93.03494	3.7
95.01435	0.8
96.96008	1.5
98.21899	2.6
101.02451	4.0
108.02242	1.0
109.02977	1.8
111.00923	0.9
113.02461	2.6
119.03509	2.2
121.02980	7.8
122.03761	16.1
123.04572	1.1
132.02188	1.0
133.02946	1.4
134.03763	3.0
135.04539	1.9
136.01660	1.8
137.02451	1.5
145.03008	1.4
147.04535	1.3
149.02449	16.2
149.06076	1.5
150.03238	93.4
151.03745	2.4
160.01720	1.9
160.05351	1.0
161.02402	1.0
163.04018	1.9
164.04832	3.9
165.05580	100.0
166.05931	2.6
175.03992	6.3
177.05641	1.4
179.05664	1.1
180.04318	6.0
182.42039	0.8
188.04764	1.2
189.05635	2.2
190.06401	6.2
191.07091	3.3
192.05678	0.7
193.05049	2.7
194.05830	1.6
195.06641	85.0
196.07005	2.7
205.08720	3.8
208.07442	6.3
222.08951	1.6
243.12413	1.0
285.04196	1.1
320.10010	0.8
344.12579	1.3
345.13223	1.7
359.15030	28.9
360.15195	1.1
371.15005	1.6
389.16022	3.0
507.19849	1.0
521.20093	2.1
533.20032	1.5
537.20978	6.3
551.21674	1.0
585.23462	30.3
586.23895	2.4
681.25598	3.1
699.26709	12.0
747.28296	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	747.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04787	4.8
59.01381	19.4
61.98830	18.2
71.01391	5.0
92.68208	4.5
92.92809	100.0
92.97507	21.7
95.44508	4.4
103.01509	12.6
105.02390	5.1
109.06606	5.9
171.10263	8.7
181.83321	4.7
199.09761	32.1
207.10257	42.7
223.26642	4.4
225.11351	32.1
249.18617	60.0
253.09299	8.3
417.17712	6.5
435.18750	8.3
443.19052	7.6
461.20081	18.5
667.36981	48.1
668.37598	7.2
690.20575	6.0
693.38654	33.0
747.36737	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	747.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68450	2.1
59.01386	14.0
59.10509	1.7
61.98839	7.7
70.86848	1.7
71.01385	12.2
81.03469	2.6
83.05075	2.3
89.02472	5.1
96.84422	1.6
97.02951	4.6
98.22605	5.9
99.00907	1.8
100.73815	1.7
101.02468	5.7
108.33018	2.0
109.06607	31.5
113.02473	2.5
119.03468	2.1
130.49649	1.7
161.04538	2.7
163.11327	16.9
167.98311	1.8
171.10182	2.8
181.12334	3.6
199.09798	3.7
207.10291	100.0
208.10670	1.9
209.11856	9.4
225.11359	41.6
249.18633	75.4
250.18990	2.5
253.09346	16.2
274.09238	1.6
310.20795	2.0
333.62207	2.1
347.83929	2.2
443.18771	3.0
461.20386	22.0
462.20816	2.3
543.04236	2.3
693.38831	17.2
694.39349	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	748.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.2
61.98840	2.9
65.00346	1.3
71.01411	1.1
79.78960	0.6
81.48988	0.6
83.01420	1.2
85.02989	0.7
87.00912	0.6
89.02476	1.4
93.03494	1.2
96.96030	2.7
101.02461	2.2
107.01431	1.1
111.00900	2.0
111.04531	1.8
113.02458	1.0
114.05633	2.1
117.03497	1.5
119.03541	0.9
121.44772	0.8
132.04623	0.7
145.02930	0.9
151.00401	2.8
155.03606	1.1
155.04991	0.9
159.04561	1.8
160.01649	0.7
160.04138	0.8
171.04539	1.4
175.03929	0.8
176.22136	0.7
183.04616	5.0
185.04506	1.1
185.06091	0.7
193.05231	0.8
211.03989	3.8
212.05704	2.1
213.05560	1.1
227.03514	10.0
230.06790	0.8
255.03008	58.3
256.03455	4.2
257.04684	0.8
281.04648	1.3
283.02505	100.0
284.03171	16.8
285.04068	66.6
286.04324	2.9
327.05237	3.2
399.13287	1.0
447.09338	37.2
448.09708	3.1
488.28867	1.5
489.10571	3.3
517.17267	0.9
585.14917	10.7
586.15735	23.6
587.16003	2.5
748.20929	40.9
749.21088	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	748.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16954	0.3
59.01387	100.0
60.01721	0.4
61.98838	5.9
69.49236	0.5
69.49632	0.7
71.01411	0.5
74.42840	0.2
89.10616	0.3
101.49430	0.3
111.82343	0.3
121.02972	8.4
161.59680	0.3
177.35136	0.3
236.97726	0.3
248.09129	0.3
255.02994	0.6
283.02399	0.6
296.60446	0.3
484.40424	0.4
596.25330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54020	7.4
53.38978	8.2
54.84711	7.9
59.01387	14.3
61.98834	35.7
65.47747	8.3
70.94968	15.3
72.65241	9.3
96.23274	8.1
115.14515	8.6
116.92889	8.5
125.09769	12.2
127.07686	9.2
135.08186	10.1
153.09175	18.1
154.42334	8.8
171.10269	32.7
180.97304	9.1
185.11848	11.0
191.10764	14.5
197.11890	21.5
207.10278	22.3
209.11856	100.0
223.13702	11.6
225.11259	11.8
246.10683	8.1
281.74469	8.7
289.18320	14.0
290.13635	9.2
305.17636	66.7
307.19333	46.4
323.18768	20.4
325.20233	33.6
334.23807	10.6
379.21075	13.0
618.34204	12.9
669.41449	12.8
687.41376	21.5
705.42981	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	749.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01387	26.8
61.98834	39.4
62.91619	1.7
66.26015	1.9
71.01386	20.1
73.02948	6.5
75.00880	3.5
78.95963	2.3
80.96524	3.8
83.01398	7.7
85.02967	6.6
87.00888	2.5
88.98820	4.9
89.02453	8.8
93.03488	3.7
95.01376	2.2
96.96036	3.9
99.04533	7.0
101.02477	11.1
101.03044	1.7
102.09847	2.1
107.47879	1.7
108.02177	11.7
109.02961	4.7
109.23292	1.7
111.00925	5.2
113.02477	9.1
116.92887	3.1
119.03501	2.5
121.02988	9.4
123.04543	18.4
131.03604	2.0
133.03001	5.5
134.03769	44.3
135.04576	3.3
136.01678	2.7
137.02472	5.1
147.04536	8.7
148.05312	4.9
149.02473	2.6
149.06090	19.2
150.03236	6.0
151.04091	4.6
160.01678	11.6
161.02576	4.5
161.04570	3.1
163.04082	2.5
165.05626	5.2
175.04047	19.5
176.04828	17.4
177.02017	3.5
177.05650	2.2
178.02711	20.6
179.03534	2.4
180.10291	2.3
187.11259	3.3
191.05591	3.2
191.07144	17.4
192.04280	5.6
193.05080	72.8
195.06642	3.3
205.04977	2.3
205.12317	2.4
207.06680	6.7
220.03754	3.0
224.70349	2.1
227.03532	2.2
227.10768	2.8
235.06146	18.7
241.12433	2.0
249.11313	3.3
252.07913	2.0
255.02931	3.9
265.07104	2.5
283.02509	2.6
284.03369	2.3
285.03906	3.0
295.08453	2.9
299.01907	2.5
311.20157	2.4
323.16504	2.3
327.12332	2.7
337.09213	4.6
337.18094	5.8
362.74969	2.0
381.17120	2.8
461.07364	3.8
543.22394	2.3
585.23743	2.8
587.21344	100.0
588.21783	5.4
629.22076	12.8
689.24469	8.5
713.24957	2.6
731.27600	3.5
749.26361	42.8
750.26843	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	749.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07716	0.7
59.01375	2.5
61.74175	0.6
69.38849	1.5
69.39253	1.6
71.01384	1.6
75.17506	0.6
85.02959	6.3
87.00880	1.3
89.02448	0.9
93.03468	3.9
96.96027	2.9
101.02452	0.6
115.94436	0.7
119.05005	1.0
127.03983	2.2
134.03754	1.0
145.02969	1.1
163.04057	1.4
171.03033	0.8
173.04610	1.1
191.05623	100.0
192.05920	2.2
193.05084	1.4
240.92958	0.6
271.02457	3.1
299.02039	5.4
337.09293	26.3
338.09833	1.0
443.34903	0.6
462.07849	1.1
634.26349	0.7
667.15063	3.9
668.15601	0.8
677.04846	0.8
734.52289	0.7
773.52716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65779	4.6
55.01157	4.9
55.44377	4.5
59.01394	13.2
59.98241	4.9
61.98831	17.2
65.72874	4.6
66.72895	4.3
70.36937	4.7
70.79208	4.6
71.01405	6.0
72.33990	5.0
98.22649	9.4
101.02484	5.2
105.13111	4.2
125.09728	7.4
151.40013	5.3
171.10306	100.0
192.56567	5.1
197.11795	12.0
204.60214	6.3
207.10408	5.2
209.11884	25.1
225.11438	6.6
235.08122	6.6
253.09282	8.9
263.16180	5.7
277.18091	6.4
287.16550	8.3
305.17676	48.6
323.18414	7.4
332.56573	5.0
391.23215	5.3
541.26520	15.9
615.29639	7.1
695.36395	53.8
696.36658	6.8
713.37463	19.1
749.35370	19.1
782.62048	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	750.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.15728	0.2
61.98835	100.0
71.01398	0.2
87.68001	0.2
102.76399	0.2
124.91988	0.2
126.71036	0.2
131.89967	0.2
137.86378	0.2
152.10422	0.2
184.92653	0.2
197.11874	0.5
209.11896	0.4
211.90704	0.2
219.28467	0.2
220.77318	0.2
235.59747	0.2
263.07626	0.2
274.29181	0.2
308.97028	0.2
427.04486	0.2
655.17322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.1
61.98833	17.4
62.48981	2.3
67.07355	2.1
69.66414	8.7
70.02969	2.0
71.01381	4.1
82.06642	3.5
87.05665	5.7
96.00925	6.3
97.04033	2.6
98.02533	2.9
98.22617	4.1
107.04994	2.1
111.02012	2.5
112.07703	3.7
113.03604	3.5
121.04089	3.0
123.03223	2.7
125.09743	4.6
129.10358	29.7
130.08745	3.0
139.08792	5.1
140.07219	5.7
150.09134	2.2
153.10358	2.3
155.08321	11.1
155.11888	2.3
164.09541	6.5
165.10315	10.8
166.08771	24.1
182.13019	3.7
183.11432	7.3
185.11833	2.2
197.16628	6.2
200.14093	6.6
207.10278	7.3
207.15041	34.2
209.09456	5.4
209.11899	5.9
217.73430	2.1
224.17651	13.6
225.11279	5.5
225.16127	6.3
236.14098	3.9
236.16486	3.4
242.18770	23.1
254.15213	2.5
261.16040	3.6
268.16754	4.6
279.17264	4.8
289.18240	4.1
294.25558	2.0
295.21478	13.1
297.42474	2.4
313.22537	5.7
337.26038	18.5
339.20261	4.2
353.25690	2.6
355.27271	7.7
374.24387	2.3
392.25702	2.8
450.34479	3.3
463.29584	2.5
511.43213	2.4
539.39313	3.9
622.30731	3.8
732.36713	5.0
732.47009	76.7
733.47400	4.7
750.37811	7.8
750.48138	100.0
751.48279	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	751.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.1
61.98832	2.7
63.02419	0.7
65.00346	0.7
69.28249	0.6
69.28654	1.4
71.01398	1.2
78.02441	0.3
83.86776	0.3
85.00427	0.4
85.02972	0.7
87.00878	0.3
88.12160	0.3
88.98820	0.8
89.02444	0.4
93.32371	0.3
101.02459	0.6
107.01405	1.1
109.02985	0.8
111.00939	0.5
122.26032	0.4
133.03015	1.1
151.00365	2.1
157.03011	0.5
161.02361	0.5
171.04530	0.9
175.04028	1.1
178.05052	0.7
178.99895	0.5
187.04004	1.0
197.02489	0.5
199.04033	4.5
201.01939	1.5
203.03561	0.8
214.02814	0.4
215.03554	1.8
226.02693	0.5
227.03496	4.1
242.02328	1.0
243.03009	3.9
254.02399	0.5
255.02953	2.0
271.02502	60.2
272.02878	3.4
282.01563	0.5
284.03091	0.4
299.01990	100.0
300.02545	8.4
301.03485	3.0
313.03415	0.5
461.07153	2.1
462.08087	40.1
463.08545	3.4
504.09070	1.0
529.09717	1.0
547.10846	0.4
589.03278	0.7
589.12079	8.8
590.02740	0.4
590.12244	0.8
607.98090	0.4
678.32501	0.5
691.15039	0.9
709.16315	4.1
751.17236	24.8
752.17548	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	751.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
59.46168	0.4
61.98829	1.1
63.02413	0.5
65.00329	0.5
71.01389	0.9
83.01402	0.8
83.49483	0.4
88.98815	0.5
93.03474	0.5
100.97413	0.4
104.53976	0.4
106.02308	0.4
107.01415	1.5
107.34728	0.4
109.02932	0.8
121.02969	0.7
123.06552	0.4
124.24601	0.4
133.02953	1.0
149.02496	0.5
151.00368	4.0
154.98337	0.4
157.81537	0.6
161.02429	0.7
163.00362	0.6
165.05675	0.4
171.04529	1.3
175.00401	0.7
175.04056	1.7
175.76703	0.5
177.01929	1.4
178.99898	1.3
182.77617	0.5
183.04530	0.6
187.04051	0.5
197.02493	0.5
198.03238	0.6
199.04042	3.7
201.01982	1.2
203.03403	0.5
215.03577	2.3
226.02757	1.3
227.03548	3.1
228.83644	0.5
243.02995	5.2
254.02129	0.9
255.02962	1.9
271.02493	61.2
272.02835	3.5
283.02563	0.6
299.01984	100.0
300.02585	13.6
301.03549	12.9
302.03851	0.6
313.03513	1.2
376.85126	0.5
462.08072	27.0
463.08655	5.5
589.12000	16.0
589.18994	0.6
590.12354	1.6
631.12964	1.2
691.14807	0.6
709.16272	1.9
751.17273	50.3
752.17590	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	751.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.98829	1.3
63.02417	0.6
65.00341	0.4
69.43631	1.4
71.01388	0.7
73.02982	0.4
78.93865	0.3
83.01397	0.7
85.02940	1.6
88.56289	0.3
88.98769	0.6
89.02460	0.5
93.43111	0.3
101.02470	0.5
101.68213	0.3
103.01498	0.4
107.01417	1.1
109.02988	1.1
111.00892	1.2
119.05063	0.3
121.02945	0.4
123.01026	0.4
133.02975	1.3
134.03720	0.3
135.04515	0.3
145.03006	0.3
147.00926	0.7
149.02483	0.4
151.00389	2.8
155.05038	0.5
160.01805	0.4
161.02446	0.4
163.04062	0.5
163.81949	0.3
169.01514	0.4
171.04526	1.4
175.00343	0.5
175.04039	1.2
178.99844	0.8
183.04498	0.6
185.14961	0.3
187.03996	0.7
197.02388	0.4
199.04025	4.9
201.01926	1.2
203.03619	0.7
214.02829	0.4
215.03552	2.5
226.02734	1.2
227.03514	3.5
241.01440	0.4
242.02209	0.6
243.02979	4.3
254.02310	0.4
255.03032	3.2
270.01468	0.5
271.02496	57.2
272.02875	2.5
282.01630	0.7
283.02524	4.0
284.03284	1.0
285.04080	1.3
299.01981	100.0
300.02570	7.6
301.03500	2.5
312.02936	0.4
378.88583	0.3
419.00095	0.3
442.48129	0.3
461.07367	2.2
462.08075	42.7
463.08560	3.1
489.10571	2.4
529.09814	1.8
546.13422	0.9
589.03320	0.7
589.12000	8.3
590.11981	0.7
602.20685	0.3
631.13251	0.7
691.15094	2.4
709.16223	2.5
751.17255	26.3
752.17926	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69788	0.5
59.01377	2.4
59.54092	0.6
60.20488	0.6
60.66582	0.6
61.98839	1.3
63.12133	0.6
71.01387	1.5
72.99312	2.8
74.88554	0.6
75.00880	100.0
89.02465	1.2
98.22616	1.9
101.02470	1.2
113.02439	0.8
123.23789	0.7
125.02492	0.9
143.71222	0.6
146.88646	0.7
168.60435	0.6
180.69617	0.6
207.10320	1.2
209.11856	2.3
214.50713	0.6
219.92058	0.8
220.12456	0.7
225.11366	0.8
229.12720	0.7
235.08246	1.3
253.09450	0.8
277.21738	2.6
305.17810	0.8
307.19223	1.3
327.42380	0.7
397.13547	6.4
415.14633	2.8
629.62640	0.8
733.37598	0.8
751.39154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72599	3.7
57.03420	4.4
59.01384	26.2
61.98830	14.8
71.01374	12.9
71.41895	4.0
74.49168	4.0
81.03452	5.2
83.05021	3.9
85.02979	4.9
87.00875	4.2
88.98840	7.7
89.02452	7.9
97.02953	11.1
97.06612	6.3
101.02457	10.9
109.06603	33.3
113.02448	5.1
121.06602	5.3
123.08222	5.3
125.09744	21.3
127.27465	3.9
131.41096	3.7
131.61064	4.1
135.08179	6.5
152.21936	3.8
163.11330	31.3
171.10280	17.5
175.07535	4.8
181.12395	10.2
185.11833	17.5
187.09811	10.8
191.14473	9.9
201.11378	8.8
207.10286	100.0
209.11804	21.0
223.13435	5.6
225.11328	44.3
235.08232	5.5
245.19017	19.9
253.09294	16.9
271.17136	4.4
287.16629	6.6
289.18121	64.3
305.17618	13.8
307.19180	30.2
311.16272	4.1
317.34225	4.1
397.53717	4.0
443.19391	6.6
461.20447	18.3
479.27917	6.9
497.29276	14.0
713.37372	11.1
715.37476	11.6
733.37939	31.7
751.39343	48.2
752.39746	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	751.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	89.0
61.98832	100.0
62.93196	1.3
62.93531	1.3
63.64710	1.2
71.01377	5.4
71.10537	1.3
73.02947	2.9
80.21996	1.4
85.02966	4.6
87.00867	1.3
89.02456	1.7
92.45863	1.2
96.96035	2.8
99.00867	1.8
100.80406	1.3
113.02448	2.8
116.92886	2.4
121.02863	1.4
121.77012	1.4
123.35641	1.3
139.83249	1.2
154.12160	1.3
171.10300	2.6
174.16328	1.5
177.96637	1.4
209.11812	2.9
212.37553	1.5
321.55630	1.4
420.77194	1.4
461.32877	2.6
528.19446	1.8
579.68024	1.4
605.36871	6.1
647.38055	19.9
665.38983	3.3
671.93408	1.4
707.40668	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.0
58.50151	1.1
59.01387	100.0
61.98839	44.4
71.01375	4.9
73.02960	2.8
75.00896	2.6
83.01396	2.0
85.02972	5.0
89.02496	2.2
96.96014	1.8
99.00887	1.2
101.02467	3.4
111.00909	1.5
113.02458	4.2
116.75291	0.9
121.02938	1.3
125.02456	1.1
133.07565	0.9
145.84488	1.0
154.65886	1.0
175.03935	1.2
209.11835	1.9
461.32767	3.7
503.33011	2.1
510.65280	1.1
595.16486	1.1
605.37073	7.4
647.38220	22.1
648.38232	3.1
665.39490	5.8
707.39856	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	752.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
59.86047	0.1
61.98836	100.0
71.01382	0.2
74.73006	0.1
78.91881	0.1
90.66901	0.1
106.62513	0.1
169.54469	0.1
201.14922	0.1
207.10333	0.2
209.11945	0.4
455.02945	0.1
461.20654	0.2
461.27551	0.1
524.83545	0.1
593.61646	0.1
606.37567	0.1
638.51172	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33088	0.2
59.01379	1.0
61.98837	100.0
66.06763	0.2
69.06711	0.2
71.01400	0.6
71.40854	0.2
78.91851	0.2
89.02495	0.2
90.55755	0.2
96.96022	0.2
101.02444	0.3
141.28658	0.2
209.11880	0.4
212.30145	0.2
214.88425	0.2
291.19791	0.3
292.20105	0.6
293.20377	0.3
311.38214	0.2
399.14093	0.2
520.25238	0.2
521.62799	0.2
599.00055	0.2
777.07977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.98835	100.0
63.80930	0.3
69.37461	1.4
78.95918	0.7
84.55298	0.3
89.10386	0.3
94.22164	0.3
97.24122	0.3
118.94394	0.3
159.60374	0.3
166.71428	0.3
181.50314	0.3
191.16936	0.3
277.21735	0.7
290.11569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
78.95943	0.8
85.48981	0.3
87.17806	0.4
88.56312	0.3
91.09644	0.3
98.21883	0.7
103.82255	0.3
111.64506	0.4
146.45952	0.3
171.10323	0.4
252.12798	0.4
260.76126	0.4
277.21866	0.5
357.63272	0.4
394.71964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
60.99312	18.7
61.98834	5.1
63.76752	0.2
71.01398	1.3
71.42094	0.3
72.97469	0.2
73.02939	0.5
83.01405	0.3
85.02960	0.6
87.00853	0.7
88.98813	100.0
89.02450	0.8
89.99178	0.9
93.03478	0.5
99.04482	0.3
101.02456	0.7
119.04932	0.3
121.02927	0.3
134.03728	0.3
135.04523	0.4
161.02409	0.2
175.03972	0.7
179.03662	0.3
191.05614	0.7
193.05074	0.4
224.86652	0.3
226.77243	0.3
255.02943	0.6
283.02515	1.1
299.01907	0.3
373.30457	0.3
663.15710	0.7
753.18286	0.5
753.34375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
59.01385	11.2
61.98788	0.9
63.02416	1.1
65.00308	1.6
71.01390	6.2
73.02938	1.4
74.02469	2.0
83.01408	0.7
85.02943	2.9
87.00848	0.8
89.02451	4.0
89.20324	0.9
95.01309	1.1
96.95987	3.1
99.04491	1.1
99.50029	0.7
101.01330	0.8
101.02426	3.2
107.01363	1.9
109.02942	0.8
112.85921	0.9
113.02419	3.0
119.03503	1.6
119.04948	1.0
125.02416	0.8
131.03452	0.9
135.04504	0.9
150.03163	0.8
151.00414	4.0
152.06657	0.8
153.18108	1.0
160.01683	0.9
160.74319	0.9
161.04494	1.4
161.13306	1.9
171.04593	1.1
173.02451	0.8
178.91835	0.8
179.03395	1.3
179.05766	1.0
183.04488	3.4
185.05997	1.0
187.04050	1.1
187.11241	1.9
191.05562	2.0
193.83881	0.9
199.03946	1.5
202.40134	0.8
205.12228	2.0
211.04066	4.0
227.03511	25.2
229.12398	1.1
239.03500	1.1
245.09390	5.3
249.11339	1.6
255.02998	77.1
256.03662	4.1
271.02560	8.9
283.02505	100.0
284.03268	49.5
285.04068	83.1
286.04358	2.1
297.03967	1.2
299.01974	14.7
300.02582	1.2
301.03479	2.7
327.05020	1.0
351.15030	1.0
399.07248	1.2
408.06635	1.0
411.16708	2.2
429.17633	2.9
438.79410	0.9
446.08649	14.2
447.09164	1.6
459.09351	73.5
460.09338	2.5
504.08774	1.5
505.09998	2.6
529.38647	1.0
531.11646	1.8
531.20490	2.0
573.21332	1.5
578.12970	1.6
591.13715	35.0
591.22723	5.1
592.13806	2.3
621.14569	3.6
709.15820	3.6
747.16772	0.9
753.18518	33.3
754.18524	1.8
754.77222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.9
60.56022	0.7
63.02412	0.8
63.46549	0.6
64.58820	0.7
65.00323	1.0
69.15229	2.4
69.15639	2.6
71.01395	6.3
73.02924	2.1
74.02457	0.7
75.00876	0.9
79.31728	0.8
83.01389	1.1
85.02952	3.5
87.00857	1.0
89.02461	5.2
93.03453	1.8
95.01372	1.0
96.96020	0.9
98.21878	1.8
99.04521	1.0
101.02445	4.1
101.87447	0.8
107.01387	1.5
113.02434	2.3
117.03448	1.1
119.03533	1.3
125.57733	0.8
127.63609	0.8
133.03004	1.0
134.03735	1.0
135.04501	1.1
149.02487	1.7
151.00388	3.9
159.04466	1.1
159.97899	0.8
161.02472	1.3
161.13379	1.6
163.03851	0.8
176.01068	1.2
179.03624	1.1
179.05589	1.6
183.04472	3.6
187.11272	3.5
193.05083	0.9
205.05063	1.0
205.12300	2.2
211.03981	3.2
217.36116	0.9
223.06084	1.1
227.03528	23.1
229.05008	1.1
229.12366	1.7
245.09352	1.5
249.11301	2.3
255.02998	65.1
256.03589	4.1
269.04532	2.6
271.02527	1.4
283.02502	74.8
284.03265	52.5
285.04041	49.3
286.04471	1.8
299.01968	4.5
341.10965	1.1
351.14426	1.1
353.09048	1.1
399.07248	5.6
416.07611	2.7
417.07953	1.4
428.07230	2.7
429.17673	3.0
459.09366	100.0
460.09814	6.7
505.09302	0.9
531.20728	2.6
548.11731	1.0
573.21777	2.9
578.12573	1.1
591.14246	2.9
591.23083	5.0
603.13586	6.2
621.14661	26.3
622.14294	1.9
753.16937	6.8
753.28760	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	753.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
59.01385	19.3
59.57915	0.9
60.37827	0.9
61.23203	0.8
61.98833	1.4
62.19831	0.9
69.26306	4.7
71.01383	12.8
72.89971	0.9
73.02951	3.4
73.97567	0.8
74.02526	0.9
78.61469	0.8
83.01459	1.1
85.02965	3.9
87.00893	1.2
88.98813	1.7
89.02451	7.3
93.03465	2.6
95.01407	1.5
96.96056	1.2
97.80751	0.9
101.02460	7.2
109.02985	0.9
111.00907	1.4
113.02474	5.2
116.92831	1.2
119.03511	2.6
119.05013	1.2
121.02987	1.2
125.02460	1.1
131.40117	0.9
134.03748	1.6
135.04529	2.6
136.01674	1.9
136.07669	5.0
137.06056	1.6
138.05629	1.4
143.03531	1.4
145.03049	1.3
149.02425	1.0
151.00397	2.9
151.04044	2.6
159.04568	1.2
160.01675	1.4
160.04073	2.1
161.02412	1.2
161.04607	1.3
161.13441	1.2
175.03972	1.6
179.03424	1.8
183.04489	2.6
185.06036	0.9
187.11313	3.4
191.05670	1.7
193.05098	2.2
205.12276	2.7
211.04018	3.1
227.03526	10.9
229.05130	1.4
229.12424	1.4
239.03571	1.3
249.11411	3.7
255.03021	48.6
256.03589	2.0
257.04700	1.0
259.11572	0.9
259.14493	2.7
267.32324	0.9
271.02386	2.2
283.02515	74.6
284.03244	23.2
285.04086	100.0
286.04309	3.2
299.01987	1.9
301.03513	1.3
327.05060	2.0
337.09207	1.5
341.10858	1.7
378.72675	0.9
399.07248	1.1
411.16782	2.4
429.17596	4.2
446.08459	8.3
447.09311	11.4
459.09387	17.4
489.10208	1.2
499.13348	1.5
531.21112	1.3
573.21924	3.2
591.13708	41.7
591.22992	4.5
592.13867	2.2
649.30878	2.7
667.31140	1.1
718.68787	1.1
753.18182	24.9
754.18372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
59.01383	5.5
59.03951	0.4
62.69009	0.4
67.81608	0.4
69.84913	1.4
71.01390	5.6
71.20393	0.4
73.02960	3.3
83.01401	1.7
83.86903	0.4
85.02957	3.9
87.00884	0.7
89.02459	1.1
93.03471	0.7
94.07578	0.4
98.21970	0.5
99.00887	1.5
100.41859	0.4
101.02454	6.2
103.00363	0.5
111.22121	0.4
113.02479	2.2
113.66360	0.4
119.05030	1.0
121.02962	4.3
130.99908	0.5
131.03529	0.5
134.03812	0.6
135.04539	2.5
137.02518	0.4
137.06090	6.1
149.02457	41.5
149.20103	0.4
150.02769	1.3
152.01141	1.4
159.02975	0.5
161.04611	2.6
163.04004	3.9
164.04811	44.8
165.01883	0.4
165.05161	1.6
169.05061	0.9
179.07147	17.9
193.01422	7.0
194.01736	0.5
208.03772	23.5
209.04285	0.4
223.06133	100.0
224.06506	3.1
235.11885	10.9
238.36414	0.4
256.65244	0.4
265.07132	1.3
301.04840	0.4
367.16122	38.9
368.16241	1.5
385.06784	0.8
385.11462	9.8
632.58783	0.5
634.20618	0.5
653.53650	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.2
57.03441	3.1
59.01382	18.7
67.05523	1.1
68.38638	0.9
69.57764	3.8
71.01397	8.9
73.02949	3.8
74.81854	1.3
80.02682	2.5
81.03447	4.8
83.05030	4.9
85.02947	3.3
87.00915	1.5
89.01583	1.2
89.02464	6.7
93.03482	2.0
95.01434	1.3
95.05015	1.5
97.02972	9.5
97.06573	2.3
98.22688	1.1
99.00891	3.4
101.02449	10.2
107.05025	1.1
109.06598	33.4
110.03743	5.2
111.04524	1.2
113.02434	3.8
117.19006	1.2
119.03477	2.4
121.06606	3.1
123.04503	1.5
123.08160	2.1
125.09718	7.1
127.07639	1.4
130.20662	1.2
135.08185	5.6
136.05273	1.7
142.02663	1.2
161.04561	3.9
161.09705	3.5
163.11298	25.1
165.12845	7.1
171.10304	8.5
177.12881	2.1
179.05615	1.6
179.14409	2.2
181.12375	7.0
185.11882	6.6
187.09770	1.4
189.09183	2.6
191.14339	1.3
193.15907	1.9
195.64868	1.1
197.11844	4.5
201.11357	4.5
207.10275	100.0
208.10574	5.3
209.11847	25.6
210.12167	1.1
223.13405	5.6
225.11353	44.6
226.11644	1.2
227.12910	1.7
235.08170	7.8
245.19057	2.2
247.20662	7.3
253.09291	19.3
273.18686	2.3
289.18033	8.7
291.19687	72.2
292.20013	4.0
299.14966	2.1
307.19208	7.6
309.20731	81.9
310.21008	4.7
313.18091	2.1
319.19113	1.2
327.19699	3.5
331.19101	3.2
333.20816	1.9
345.20810	3.2
347.22339	5.3
443.19244	4.7
461.20337	15.1
473.32901	1.4
481.29681	2.5
499.30811	7.7
517.31616	2.2
549.27173	1.5
581.29968	1.4
609.29535	1.5
717.39343	5.6
725.54553	1.3
735.39594	18.8
736.39508	2.2
750.73969	1.2
753.40680	44.0
754.40887	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	753.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63972	2.5
59.01387	17.7
61.98822	9.2
69.13863	17.6
71.01392	6.9
73.02917	2.9
73.44700	2.9
79.71323	2.8
82.77370	2.4
83.01408	3.0
83.05030	6.7
85.02941	3.3
89.02461	5.2
89.74707	2.8
98.22672	6.2
101.02458	8.6
105.48849	3.0
109.06609	9.1
113.02461	5.6
115.44836	2.8
125.09740	5.0
155.10777	2.8
163.11298	10.4
165.12845	4.8
169.12193	2.9
171.10138	3.3
179.10889	3.3
181.12297	5.4
197.11827	4.3
207.10297	19.5
209.11847	100.0
210.12215	3.5
225.11337	10.7
227.12897	17.3
235.08258	7.0
245.19102	14.6
253.09215	12.7
289.18008	16.2
291.19653	11.0
307.19153	62.1
309.20694	19.0
363.21600	3.9
461.20129	3.1
481.29630	6.6
499.30441	4.0
525.27014	3.5
543.27966	10.6
581.29419	3.9
717.38715	19.6
735.39862	17.5
753.40796	14.9
754.40961	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	753.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06790	2.4
57.03434	4.7
59.01122	3.1
59.01379	36.2
61.98822	3.5
65.64532	2.4
67.87935	2.4
69.03426	3.7
69.37634	7.2
69.38025	4.1
71.01391	19.8
73.02944	5.1
81.03480	6.1
83.05016	7.2
85.02950	6.5
87.00890	6.6
89.02434	12.3
95.05040	5.5
97.02947	10.7
97.06602	4.8
97.45896	2.2
99.00879	4.4
101.02451	18.7
107.05009	3.3
109.06601	40.9
111.04482	2.3
113.02457	9.4
119.03471	2.7
123.08189	3.7
125.09714	8.3
143.07130	6.9
151.11359	2.8
161.04582	5.6
161.09724	6.3
163.11310	24.3
165.12854	6.7
165.51454	2.5
169.12424	2.5
171.10258	7.2
179.05609	3.0
179.10760	4.6
181.12363	16.1
185.11859	17.1
187.09781	4.6
195.13902	6.0
197.11850	22.0
207.10281	77.1
208.10655	3.6
209.11868	60.3
210.12022	2.6
211.13380	3.8
221.15382	2.6
223.09872	2.8
223.13431	5.9
225.11334	55.3
226.11455	3.9
227.12891	7.0
235.08151	9.3
243.11978	2.5
245.19339	3.4
253.09236	19.5
268.93097	2.8
275.20081	2.5
289.18085	10.0
291.19699	31.3
293.21210	9.5
307.19144	25.7
309.20776	55.0
313.18076	5.7
329.21103	5.7
331.19028	4.2
347.22345	4.4
373.23834	5.4
375.21628	5.9
461.20145	14.2
481.29416	18.7
499.30698	19.2
517.31348	5.0
543.28113	4.9
545.29578	5.6
555.33337	3.2
609.32855	5.5
611.31018	5.8
637.32233	7.0
639.32440	2.4
665.19537	2.9
666.32550	6.9
671.20038	2.5
684.32697	4.1
717.38586	24.3
718.39618	3.6
722.24121	2.8
728.83990	2.4
735.39581	66.4
736.39722	7.4
753.40735	100.0
754.41229	10.7
759.18323	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	753.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95697	1.3
55.01886	3.4
57.03444	1.7
59.01385	78.5
61.98835	100.0
69.14803	9.1
71.01387	25.9
72.99298	2.5
73.02949	10.6
75.00906	1.8
82.95429	3.4
83.01395	5.7
83.80576	1.3
85.02956	16.6
85.98790	1.3
87.00874	4.4
89.02456	9.2
94.74122	1.4
95.01385	2.4
96.96031	2.3
98.21877	2.8
99.00868	3.6
101.02450	28.5
113.02469	11.8
116.92815	1.8
118.08307	1.8
119.03486	2.6
143.03554	2.3
145.02959	1.4
159.03093	2.4
161.04581	7.6
246.40462	1.4
250.40529	1.3
255.02901	1.7
283.02402	1.6
300.55270	1.6
368.50381	1.5
513.31927	1.7
531.33289	30.5
532.33405	3.3
544.25635	1.9
615.35632	3.3
633.36438	6.2
651.37268	3.8
667.40222	1.9
675.37354	12.2
693.38531	36.3
694.39252	6.2
753.09839	1.9
753.40045	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	754.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89626	0.3
59.01382	0.4
61.98836	100.0
63.63214	0.3
63.79865	0.3
71.88529	0.3
78.95930	0.9
91.50678	0.3
93.21448	0.3
98.21794	0.6
108.49951	0.3
134.40594	0.3
138.57237	0.3
152.99622	0.5
277.21786	0.8
309.20877	0.3
477.88232	0.3
499.82217	0.4
755.42145	0.5
762.51984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.57591	0.3
65.68374	0.3
71.41659	0.3
74.44326	0.3
78.95905	0.4
84.32393	0.3
129.53215	0.3
134.05772	0.3
182.82010	0.3
218.78609	0.3
376.71170	0.3
380.62665	0.3
419.21353	0.3
435.24374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
61.98837	100.0
69.80061	0.6
78.95925	1.3
81.23570	0.3
99.19640	0.3
116.64674	0.3
152.99628	0.6
191.87299	0.3
197.11987	0.4
207.10291	0.5
209.11880	0.5
225.11432	0.6
249.18675	0.7
291.19736	0.4
309.20624	0.3
311.22372	0.6
673.69873	0.4
754.40643	0.6
755.42352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	40.5
60.86515	1.5
61.84808	1.8
69.45611	3.4
69.45965	4.3
71.01385	27.3
73.02921	3.3
85.02959	12.2
87.00879	3.6
89.02452	30.4
93.03453	4.0
95.01379	1.8
96.96023	2.9
96.97800	1.4
99.00882	5.0
101.02452	14.5
103.00378	2.2
106.67621	1.6
111.00856	2.2
113.02435	11.8
119.03523	17.4
121.02968	100.0
122.03304	3.0
133.02945	4.7
134.78909	1.6
135.04514	4.6
143.03481	4.0
161.02420	1.7
161.04553	6.4
173.04578	3.4
175.04163	2.1
179.03546	2.7
179.03957	3.1
179.05620	27.0
191.05640	70.2
192.05937	1.8
223.07982	1.6
239.05551	3.5
279.07205	10.3
283.02411	2.1
285.03943	1.9
301.09155	4.3
351.07062	3.8
353.08652	9.0
401.05600	3.1
401.10919	60.3
402.11322	4.2
433.15021	2.4
593.14514	2.2
622.80792	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	755.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36061	0.7
56.94276	0.6
57.03442	1.1
59.01386	8.7
60.28826	0.8
61.98804	0.7
66.43240	0.7
70.72193	1.0
71.01385	6.6
72.44270	0.8
73.02937	0.9
80.02686	1.5
81.03473	1.6
83.01407	1.1
83.05028	5.0
85.02959	1.5
87.00887	1.2
89.02456	3.4
95.05043	0.9
97.06608	2.1
101.02448	4.1
109.06570	0.9
111.08167	1.4
113.02463	2.7
119.03540	1.6
122.99409	0.9
125.06055	1.0
125.09735	2.3
135.08171	1.2
151.11308	4.9
153.09265	1.8
153.12822	0.8
161.04547	1.2
163.11281	6.4
165.12866	4.8
169.12358	21.1
171.10297	5.0
179.14417	1.4
181.12349	1.6
185.11862	1.8
191.10809	1.6
193.16231	1.1
195.10251	1.0
197.11859	8.2
199.13364	0.9
207.10254	2.4
209.11853	100.0
210.12190	1.8
213.11337	3.2
223.13483	1.7
225.11372	2.1
227.12891	11.6
235.08154	3.8
247.20670	3.0
253.09291	10.8
273.18802	0.9
287.16602	1.3
291.19681	39.9
292.20044	1.6
293.21155	0.9
305.17621	5.8
309.20746	46.7
310.21118	1.2
323.18488	1.0
329.20999	1.0
347.22217	1.1
445.20700	1.4
449.20361	3.0
541.26508	1.5
641.32367	0.9
693.38818	0.9
723.18549	0.8
737.37433	11.6
755.38690	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	755.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03436	4.2
59.01382	88.6
61.98836	57.3
69.03436	3.2
71.01388	41.9
72.99287	2.1
73.02955	13.9
78.27804	1.8
83.01385	7.8
85.02953	27.8
87.00900	8.5
88.98835	2.6
89.02454	13.3
95.01398	5.5
96.96001	4.5
97.02976	2.8
99.00884	4.0
99.15476	1.6
101.02453	36.1
103.48950	1.8
111.00922	9.8
113.02462	21.7
119.03477	3.6
121.02941	4.2
122.90279	1.7
125.02435	6.6
129.01921	2.8
129.08136	1.7
131.03337	1.8
134.03749	2.5
143.03505	2.4
150.01770	1.8
159.03009	3.5
161.04575	6.3
175.03966	2.1
185.75970	1.7
192.76828	1.7
222.85727	1.9
255.02904	3.8
283.02435	5.7
285.04117	3.6
299.25974	3.2
345.30093	6.0
463.70679	2.0
489.34091	4.9
507.35355	11.8
553.69879	2.0
609.43494	2.1
651.39618	100.0
652.39532	10.8
669.40674	66.1
670.41064	5.5
680.84668	2.4
691.63159	2.0
694.38617	2.5
711.42017	29.8
712.41675	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	755.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.1
57.03461	5.2
59.01384	100.0
61.98834	35.2
68.03063	2.1
71.01017	4.5
71.01385	59.5
72.99318	4.5
73.02936	14.2
74.12479	2.9
82.95422	9.1
83.01405	13.1
84.95127	34.4
85.00439	47.3
85.02957	24.7
87.00877	8.4
88.98827	4.1
89.02464	17.7
92.33572	2.2
95.01401	8.0
96.96053	5.6
97.02989	4.2
101.02453	38.9
102.60853	2.3
111.00893	43.8
113.02453	28.1
118.03011	2.7
119.03515	7.2
121.02970	29.3
125.02438	6.6
129.01945	3.2
130.29420	2.2
134.03764	4.5
135.04474	4.1
143.03493	4.3
151.00414	2.7
159.02937	3.0
160.01631	4.5
161.02419	2.9
161.04585	4.3
162.15186	2.2
165.05617	3.8
175.04036	4.5
183.04489	7.2
193.04973	6.5
195.06813	3.4
199.84792	2.4
211.04059	3.0
227.03519	8.7
255.03011	55.7
256.03613	3.3
269.04593	2.8
271.02560	6.5
283.02512	97.6
284.02997	14.1
285.04089	26.6
299.01895	5.4
300.02386	3.0
345.30023	5.4
360.05969	2.7
400.06122	2.6
429.07751	2.5
443.86444	2.5
489.10403	29.4
489.34097	7.9
490.10794	3.3
507.35773	10.9
517.89594	2.5
521.11304	4.6
522.11719	4.6
531.11133	2.6
550.11163	30.1
551.12073	11.7
651.39655	90.3
652.39667	6.9
669.40637	58.7
670.41376	7.5
692.14984	3.4
695.40741	3.6
711.41809	25.8
712.41449	3.7
755.18628	14.6
755.36835	2.5
756.18671	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	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01384	10.7
59.97059	0.5
60.40174	0.5
66.74235	0.5
69.81091	0.6
70.27093	1.5
71.01387	5.9
73.02940	1.7
80.02688	1.6
81.03471	0.9
83.01396	1.4
83.05032	6.2
84.02184	1.0
85.02969	1.8
87.00898	1.2
89.02453	2.8
95.01332	0.6
95.05043	1.3
97.02906	1.4
97.06595	2.6
101.02461	4.2
106.04250	0.6
107.05058	0.8
109.06595	1.5
111.08168	1.7
113.02449	2.5
119.03522	0.9
120.37263	0.6
121.91926	0.7
125.02466	1.4
125.06100	1.1
125.09741	1.5
135.08194	0.9
142.25009	0.6
151.11301	4.8
153.09206	1.4
156.96179	0.6
161.04555	1.7
163.11275	5.5
165.12860	4.8
167.63307	0.6
169.12350	18.6
170.12762	0.8
171.10281	5.1
175.11206	0.8
179.14392	0.7
180.88538	0.5
181.12363	2.2
183.10315	0.8
185.11873	1.7
185.70448	0.6
187.02675	0.5
187.09746	0.8
191.10783	0.8
195.10268	1.1
197.11839	13.2
199.13414	0.9
207.10287	1.4
209.11844	100.0
210.12228	3.4
211.13380	2.2
213.11378	3.6
223.13394	1.5
225.11360	2.1
227.12886	11.2
235.08275	3.1
247.20691	2.5
253.09285	11.6
287.16528	1.1
291.19684	33.5
292.20007	1.6
305.17618	4.5
307.19037	0.9
309.20746	48.7
310.20999	3.1
315.70404	0.7
329.21332	0.9
347.22272	1.5
431.19220	1.4
449.20319	2.4
520.21741	0.6
522.23529	0.7
541.26709	2.0
552.70435	0.7
719.39819	1.1
737.37506	11.0
738.38940	1.9
755.38867	13.3
756.39142	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	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01384	7.6
59.32227	0.4
61.98831	0.5
69.03449	0.6
69.93725	1.4
71.01382	3.6
71.05048	0.5
80.02684	1.0
81.03446	1.0
83.01410	0.6
83.05040	4.7
84.02180	0.8
85.02965	1.1
87.00884	0.5
89.02434	2.5
93.01736	0.5
95.01427	0.4
95.05029	1.4
96.96013	1.3
97.02953	1.1
97.06583	0.6
101.02464	3.7
111.08130	0.4
112.02866	0.4
113.02431	1.9
119.03522	0.8
125.06098	0.8
125.09760	0.9
135.08167	0.7
137.09669	0.5
161.04535	1.0
161.09740	0.4
163.11295	5.7
165.12857	4.9
171.10252	4.6
175.11261	1.3
179.05649	0.4
179.14316	1.3
180.25941	0.5
181.12299	2.1
185.11836	1.0
191.10809	0.9
193.15929	1.2
196.64037	0.4
197.11876	1.3
201.99948	0.5
207.10277	0.5
209.11839	100.0
210.12193	3.1
223.13422	1.2
225.11290	0.7
227.12894	11.8
235.08250	2.8
247.20618	3.8
253.09314	11.5
273.18622	1.6
291.19675	42.0
292.20050	2.2
309.20724	53.8
310.21115	2.4
311.20212	1.5
329.21252	2.3
344.59872	0.5
347.22278	1.9
445.20743	0.8
565.29779	0.5
583.31305	0.8
719.40576	0.6
737.41077	1.6
755.40601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87035	0.8
57.03432	1.1
59.01381	11.8
60.69250	1.0
61.98833	1.8
70.34375	1.6
71.01379	5.3
80.02664	1.1
81.03451	2.1
83.05038	5.4
85.02943	1.8
87.00880	1.0
89.02435	3.3
97.06622	1.5
97.69877	1.0
98.21957	1.2
99.00931	1.3
101.02457	3.7
102.24121	0.9
109.06592	1.5
113.02468	1.6
113.09692	1.3
116.71936	0.8
135.08171	1.0
141.09242	1.3
154.12000	0.8
161.04556	2.3
163.11333	4.7
165.12852	5.4
171.10268	3.4
179.05562	1.3
181.12360	2.5
191.10715	1.1
193.12428	1.2
195.13872	2.7
197.11848	3.0
199.13564	1.0
207.10213	2.7
209.11848	100.0
210.12149	1.7
211.13417	4.5
213.11418	0.9
221.15395	1.6
225.11363	3.0
226.11662	1.1
227.12923	15.2
235.08284	2.4
240.13501	1.0
247.20599	3.4
253.09308	10.6
263.16376	1.0
273.18600	2.0
276.95740	1.0
281.21280	1.4
291.19702	34.8
292.19962	2.3
293.21078	2.1
296.84320	0.9
309.20737	79.5
310.21030	4.1
492.90982	1.0
527.28564	3.4
545.29810	11.7
737.40601	4.0
746.41339	0.9
755.41504	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	755.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01384	100.0
60.01715	1.1
61.98836	35.1
69.09551	1.1
69.22234	5.8
71.01391	22.8
73.02964	4.8
82.95418	1.3
83.01396	2.3
85.02966	8.6
87.00912	1.9
88.98823	1.3
89.02456	14.9
93.59160	1.0
95.01405	3.0
95.95242	2.2
96.96005	1.4
98.22639	1.7
99.00900	1.6
101.02459	12.1
111.00885	1.2
113.02458	13.8
116.92865	2.0
119.03514	4.6
121.02978	2.9
131.03474	1.0
134.03780	2.4
143.35242	1.0
151.48138	1.1
160.01720	1.8
161.04565	4.3
175.04015	2.6
179.05563	1.2
193.05101	1.2
209.11903	1.4
255.03053	6.3
283.02466	9.2
285.04037	1.8
371.25610	1.6
468.61758	1.1
473.32977	3.3
481.91879	1.2
491.33810	3.5
613.29962	1.2
635.38013	45.2
636.39136	4.9
651.39301	3.2
653.38959	10.7
654.39471	1.6
669.40155	2.4
695.40143	17.6
696.40192	1.9
702.50598	1.3
711.41608	2.1
755.18518	4.2
755.42090	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01384	100.0
60.01715	1.1
61.98836	35.1
69.09551	1.1
69.22234	5.8
71.01391	22.8
73.02964	4.8
82.95418	1.3
83.01396	2.3
85.02966	8.6
87.00912	1.9
88.98823	1.3
89.02456	14.9
93.59160	1.0
95.01405	3.0
95.95242	2.2
96.96005	1.4
98.22639	1.7
99.00900	1.6
101.02459	12.1
111.00885	1.2
113.02458	13.8
116.92865	2.0
119.03514	4.6
121.02978	2.9
131.03474	1.0
134.03780	2.4
143.35242	1.0
151.48138	1.1
160.01720	1.8
161.04565	4.3
175.04015	2.6
179.05563	1.2
193.05101	1.2
209.11903	1.4
255.03053	6.3
283.02466	9.2
285.04037	1.8
371.25610	1.6
468.61758	1.1
473.32977	3.3
481.91879	1.2
491.33810	3.5
613.29962	1.2
635.38013	45.2
636.39136	4.9
651.39301	3.2
653.38959	10.7
654.39471	1.6
669.40155	2.4
695.40143	17.6
696.40192	1.9
702.50598	1.3
711.41608	2.1
755.18518	4.2
755.42090	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	756.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21088	0.4
59.01385	4.0
61.98835	100.0
62.23005	0.4
63.61538	0.4
69.22713	2.5
71.01388	3.2
83.01397	0.7
85.02964	1.3
85.13761	0.4
88.98834	1.5
89.02461	1.4
93.03472	1.4
101.02473	1.6
111.00917	1.5
113.02473	1.2
116.05119	0.5
117.03481	0.5
119.03556	1.1
121.02987	0.8
123.04546	0.5
134.03777	0.7
135.04530	0.5
137.02496	0.7
145.03003	2.0
149.06190	0.5
150.68437	0.5
151.00397	1.2
160.01752	1.1
160.04054	2.6
161.04482	1.3
163.04086	0.5
165.05498	0.7
172.17883	0.4
175.04039	1.6
178.02820	0.5
179.05551	0.5
193.05075	0.8
205.05154	0.7
223.06215	0.4
227.03593	1.2
255.02974	6.7
271.02664	1.5
283.02493	14.7
284.03323	1.6
285.04056	19.1
286.04486	0.6
297.04333	0.4
299.01813	2.9
314.06787	0.7
327.05286	0.7
341.11017	1.6
346.09433	0.5
367.10089	0.6
446.08514	3.7
447.09149	4.4
489.10361	0.6
531.11700	1.8
533.24487	0.9
534.25189	0.6
550.16309	0.6
693.16760	20.0
694.17297	1.0
755.34235	0.6
756.34198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11701	0.1
59.01375	0.9
61.98835	100.0
66.27020	0.1
71.01397	0.3
75.07932	0.2
79.09341	0.2
85.02962	0.3
98.50571	0.2
99.04579	0.2
101.02428	0.2
104.24933	0.2
113.02450	0.2
141.25021	0.1
151.00409	0.3
160.01825	0.3
160.04106	0.7
175.04022	0.2
175.09822	0.4
183.04636	0.3
184.97318	0.2
193.04993	0.2
194.93279	0.2
196.06680	0.2
211.04146	0.2
227.03525	0.5
255.02998	4.2
256.03635	0.2
279.02844	0.2
283.02493	9.2
284.03073	0.9
285.04034	2.2
446.08640	2.0
447.09372	0.4
471.09616	0.2
531.11566	1.2
693.16833	5.7
694.16327	0.4
761.99084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45517	0.2
59.01381	1.1
61.98836	100.0
63.36933	0.2
66.14090	0.2
66.20123	0.2
67.83620	0.2
71.01404	1.0
85.02950	0.3
88.98808	0.5
89.02493	0.3
90.39031	0.2
96.96040	0.3
98.22723	0.6
101.02473	0.4
106.89240	0.3
109.02980	0.3
110.42722	0.2
111.00941	0.4
113.02500	0.3
122.58351	0.3
137.02484	0.2
151.00388	0.3
160.04079	0.9
175.04074	0.3
178.02785	0.3
179.05624	0.3
211.03999	0.5
227.03606	1.0
229.26190	0.3
255.03018	4.7
256.03546	0.4
271.02420	1.8
283.02502	11.5
284.03186	1.3
285.03970	1.4
299.01987	2.9
301.03644	1.1
306.97470	0.2
398.90619	0.3
446.08707	3.3
447.09442	0.5
531.11383	3.4
668.84100	0.3
693.16730	8.7
694.17126	0.3
754.36066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
61.98835	0.5
62.64695	0.1
67.01899	8.2
71.01391	0.4
71.42358	0.1
73.02953	0.1
83.01434	0.1
85.02962	13.7
89.02435	0.3
101.02422	0.1
111.00896	100.0
112.01234	1.4
113.02448	0.2
116.92850	0.2
121.02969	4.4
122.03310	0.2
128.45901	0.1
129.01967	1.5
174.55956	0.1
179.03502	0.1
255.03024	0.2
256.03485	0.2
258.07364	0.1
283.02524	0.2
284.03235	0.2
285.04044	0.2
320.22031	0.1
472.24048	0.2
476.23245	0.2
490.24518	1.1
756.32727	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25003	0.1
55.72979	0.1
60.58095	0.1
61.98833	100.0
62.11802	0.1
62.98539	0.1
69.18654	0.1
73.44326	0.1
78.95930	0.3
87.61244	0.1
95.97987	0.1
116.92882	0.2
327.88123	0.1
498.27069	0.1
530.91010	0.1
592.42072	0.1
693.58478	0.1
756.42395	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	757.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.52107	0.7
66.44711	0.9
71.01371	1.5
71.38031	1.2
87.00928	0.9
88.47228	0.7
107.01396	2.5
107.05326	0.7
109.02940	1.5
119.05040	2.5
121.02973	2.1
125.02369	1.0
135.49953	0.8
139.23512	0.8
149.02339	1.0
151.00404	9.0
163.04015	2.5
164.97801	0.7
167.03448	0.9
171.04463	1.2
175.00354	1.5
175.04033	1.3
178.99875	3.1
199.03951	2.4
201.01898	1.0
211.04129	0.8
215.03409	1.3
221.19139	0.9
227.03568	3.8
243.03064	4.9
255.03017	7.2
263.98123	0.9
271.02502	65.3
272.02853	3.4
293.02954	0.8
299.01990	100.0
300.02710	31.1
301.03543	43.7
302.03873	2.9
314.04236	0.8
324.68985	0.8
343.04483	1.8
394.81549	0.8
399.12943	1.1
412.25671	0.9
462.08102	12.8
463.08786	7.5
595.13141	36.4
596.13336	3.3
757.18384	57.2
758.18732	6.1
767.70715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3671
Annotation	Disorazol A
Peak:m/z	Relative Intensity
55.01870	0.7
57.03441	1.4
59.01380	34.7
61.98830	3.8
69.03453	3.3
71.01388	9.2
71.05012	1.8
82.95412	2.3
83.05032	2.9
85.00438	1.4
85.02937	2.3
87.00906	1.0
89.02443	4.1
95.05006	3.1
97.02956	1.7
97.06596	5.2
98.21893	1.8
99.00896	1.7
101.02435	5.1
109.06605	2.7
113.02431	3.5
119.03555	1.0
121.02975	6.0
123.08161	8.0
125.06130	0.7
125.09708	3.2
127.07637	2.5
133.06618	2.2
135.08171	1.6
139.07683	1.2
143.07138	1.8
151.07668	5.6
151.11267	1.6
153.09196	3.1
153.12828	1.6
157.08728	1.3
161.04567	1.4
161.09756	1.2
163.11252	1.8
169.08707	13.8
171.10240	2.4
179.10834	4.8
181.08691	3.2
181.12271	0.9
185.11845	2.5
197.11832	54.5
198.12146	1.4
207.10263	4.9
209.11836	18.3
210.09064	1.4
210.12329	0.9
217.15947	1.5
223.09824	0.9
225.11371	3.1
227.12825	1.3
235.16898	0.9
241.10806	3.5
253.09283	4.9
279.16049	2.0
289.18051	2.0
297.17203	1.3
307.19138	5.2
325.20245	1.9
342.15970	0.9
351.71829	0.8
461.20291	1.3
477.19870	2.8
484.11166	0.8
541.10046	0.8
653.30951	1.0
671.32147	1.6
695.36127	1.5
739.35095	6.8
757.36493	100.0
758.36890	10.1
766.94580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.0
59.01379	67.7
61.98817	11.9
68.99815	19.3
69.03464	8.0
71.01392	46.2
71.05024	5.0
71.40461	4.6
72.99347	5.4
73.02974	6.3
74.34142	4.3
81.03461	11.0
82.95419	4.6
83.01402	6.4
83.05022	15.7
84.95117	4.9
85.00451	12.4
85.02958	14.7
87.00901	27.1
89.02447	16.2
93.03458	6.7
95.01405	4.8
95.05035	13.2
97.02998	6.1
97.06588	18.4
98.03718	4.7
99.00929	6.7
101.02454	25.5
107.05019	9.6
109.06581	18.1
110.03726	15.4
111.00894	5.0
111.04508	12.0
113.02473	10.0
116.92890	8.2
119.03485	4.5
119.63822	4.1
121.02939	5.4
123.04530	15.6
123.08177	10.8
125.06109	21.5
125.09704	16.5
127.07640	10.0
133.06592	14.8
135.04565	5.9
135.08174	17.4
135.79034	4.4
137.06082	17.9
137.09718	5.6
137.16133	4.3
139.07651	15.1
141.09189	5.3
143.03352	4.6
143.07155	36.5
149.06050	9.1
151.07677	29.7
153.05580	6.5
153.09256	39.5
155.10771	6.9
161.04562	9.4
161.09717	10.5
163.11311	13.2
165.09044	5.1
165.12875	6.0
167.07158	4.6
167.10699	10.8
169.08710	8.8
169.12303	7.5
171.10289	100.0
173.08020	4.7
176.26228	4.7
177.05605	27.4
177.09238	8.4
178.10103	6.6
179.07178	12.2
179.10852	10.2
181.08723	12.8
181.12270	7.3
185.11832	28.7
195.06665	33.0
195.10283	6.4
197.08057	5.9
197.11864	25.8
199.09772	6.7
201.11310	8.0
205.08682	13.8
207.10295	13.0
209.11842	84.6
210.12146	8.8
213.11316	21.3
223.09758	40.6
225.11301	12.5
227.12779	4.8
235.08154	21.0
245.19112	6.6
253.09238	44.9
261.14883	6.5
279.16080	35.1
289.18057	20.1
297.17084	14.3
305.17578	5.4
307.19171	85.6
308.19196	5.5
315.46121	5.0
325.20053	39.5
341.23514	7.6
342.69406	4.4
407.19131	6.2
441.16913	4.8
459.18671	13.7
461.20172	7.3
543.28479	28.7
652.26764	5.8
669.35480	9.0
703.32623	6.1
721.34656	19.9
739.35699	29.4
757.37091	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90762	10.0
59.01395	11.8
61.98838	100.0
68.57296	10.2
68.64429	10.9
69.85664	33.9
73.14941	10.3
73.31873	9.8
78.95900	14.2
82.95415	16.1
92.24989	10.6
98.51112	9.8
101.91351	10.2
140.36272	10.8
165.20032	11.4
179.54150	9.4
186.87131	10.2
207.10275	53.7
225.11292	26.2
277.21741	43.6
298.92273	12.0
523.95142	9.7
721.40448	16.4
761.09448	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	757.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99321	8.3
61.98838	100.0
63.34756	4.7
88.98807	29.1
89.02460	16.9
93.74844	5.5
96.11722	4.5
163.05807	5.5
169.90952	5.1
207.10240	30.6
277.21756	52.7
278.21954	7.0
282.08609	5.3
440.65973	5.1
542.10895	4.8
719.23486	5.1
721.41754	18.5
757.39868	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	757.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.31546	2.0
61.98838	29.6
66.36102	1.9
70.10077	2.3
75.00896	2.0
78.95904	4.1
84.65403	1.9
87.29191	1.8
102.95723	3.6
103.01507	70.0
109.06637	2.6
110.26331	1.8
125.09743	3.6
139.07660	3.4
164.98866	2.1
171.10178	3.6
197.11737	2.3
207.10255	7.0
209.11874	17.7
225.11346	4.2
305.17542	16.8
361.19586	2.2
381.02164	1.9
546.80255	2.2
567.25616	2.3
577.27228	3.0
590.84027	2.3
634.33569	6.9
635.34137	2.8
757.42108	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	757.4024
Annotation	Unguisin A
Peak:m/z	Relative Intensity
55.01876	1.7
57.03439	3.4
59.01382	16.3
61.98825	7.7
71.01387	11.6
73.02955	2.8
76.52293	1.3
83.05019	2.6
85.02979	3.0
87.00884	3.1
89.02454	3.8
95.05006	1.9
97.06586	6.8
98.22695	2.9
99.08202	1.4
101.02442	6.3
113.02442	3.3
113.03192	1.2
119.03473	1.3
125.09721	3.3
127.07635	3.7
135.08087	1.4
151.11302	17.9
153.09239	2.1
161.04581	3.0
163.11269	2.7
165.12767	1.6
169.12349	100.0
170.12679	1.8
171.10243	6.5
178.10004	2.2
185.11819	8.4
195.10222	2.7
197.11861	9.7
209.11852	28.2
210.12117	1.7
213.11320	13.5
235.08089	2.1
238.12074	1.5
253.09218	5.2
289.18140	4.5
305.43912	1.5
307.19150	22.2
308.98370	1.3
325.20215	5.3
391.30368	1.4
408.12402	1.4
431.19446	3.2
449.20328	8.6
523.57629	1.5
543.28174	4.1
739.39282	17.9
757.40204	96.9
758.40332	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	758.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27443	0.4
59.01381	34.8
69.51780	2.2
72.99300	1.0
87.00876	12.4
89.03976	0.6
93.03481	0.6
103.00380	11.8
111.98824	0.5
112.98818	1.4
117.03480	1.5
121.02988	0.9
126.16339	0.6
130.99872	7.2
131.42596	0.5
134.03752	36.0
135.04095	1.1
137.02516	2.4
138.01933	0.7
139.04114	0.6
145.02980	1.0
149.00920	4.3
149.06096	8.7
149.50011	0.5
159.75972	0.5
163.03995	0.7
177.04163	0.6
178.01175	0.9
178.02719	16.2
179.02930	0.7
191.05656	2.2
193.05064	100.0
194.05338	3.0
230.55516	0.5
254.44421	0.5
325.05658	16.8
337.09082	0.6
515.62280	0.5
586.92554	0.6
760.73523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55674	0.2
59.01385	100.0
60.01722	0.6
60.25840	0.2
61.98845	0.7
71.68993	0.2
82.95477	0.2
86.30894	0.2
91.45002	0.2
98.22626	0.5
110.52545	0.2
121.02968	19.2
122.03368	0.3
153.49425	0.2
180.77786	0.2
347.87656	0.2
523.21008	0.2
698.26251	0.4
759.38269	0.3
759.51599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41115	0.5
55.33150	0.4
59.01376	1.9
61.04213	0.5
61.98832	37.6
64.23812	0.6
67.01898	5.4
71.01382	1.4
75.00884	2.8
85.02954	76.2
86.03292	1.2
89.02458	0.6
111.00888	100.0
112.01218	2.2
113.02410	0.9
121.02151	1.1
121.02969	14.7
122.03305	1.5
129.01933	5.9
135.04584	0.6
145.06612	0.8
164.10797	0.5
402.22974	0.7
406.21991	0.6
430.22244	0.8
434.21881	1.7
448.23312	7.9
449.23489	0.8
466.24530	1.4
600.87994	0.6
714.31427	9.9
715.31482	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98837	1.5
62.22076	0.1
67.01893	8.4
68.02222	0.2
68.54059	0.1
78.91897	0.8
79.20220	0.1
80.91671	0.2
83.01398	0.1
85.02958	2.2
101.02427	0.1
111.00888	100.0
112.01224	1.9
121.02963	1.9
129.01985	0.3
134.03728	0.1
135.04572	0.2
193.05219	0.1
346.96768	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	758.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
60.99317	0.3
61.98835	3.0
65.00323	0.2
67.01897	6.4
69.28754	1.0
71.01378	0.3
72.47008	0.2
82.95424	0.4
83.01405	0.6
85.02957	4.3
87.00895	0.3
88.98825	1.7
89.02455	0.2
96.95985	0.3
101.02443	0.3
103.28592	0.2
105.06760	0.2
111.00895	100.0
112.01230	1.6
121.02971	3.7
129.01950	2.3
154.99908	1.4
163.11296	0.2
173.00948	1.9
175.04013	0.2
200.21120	0.2
235.40498	0.2
245.30663	0.2
255.03181	0.2
601.90668	0.2
714.33044	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05083	0.1
61.86986	0.1
61.98835	100.0
62.98544	0.2
67.35516	0.1
69.90503	0.3
80.24228	0.1
84.25784	0.1
115.96751	0.1
123.62974	0.1
126.36985	0.1
542.50079	0.1
784.89819	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	759.0177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72586	0.5
59.01384	67.3
60.01736	0.5
69.29890	1.8
115.02518	2.4
115.03270	0.5
117.00452	2.9
132.98222	2.2
157.03568	1.3
159.01512	24.1
160.01599	1.1
174.12057	0.5
174.99269	28.2
201.00903	0.3
201.02574	11.8
217.00322	100.0
218.00645	1.7
240.16074	0.5
259.01523	0.8
274.99283	2.7
290.97272	0.6
298.99561	0.7
301.02682	10.2
302.02698	0.8
317.00436	18.7
318.00641	1.1
332.98193	4.2
347.72247	0.5
359.01447	6.1
360.01614	0.9
374.99252	13.3
376.00183	0.6
459.01596	4.5
474.99405	6.7
475.99792	0.7
517.00464	2.2
541.00897	3.2
556.98462	14.9
557.98505	1.6
617.00470	1.7
619.76660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25927	0.1
59.01382	0.2
61.98833	100.0
62.98521	0.2
67.01893	0.3
68.37463	0.1
71.01385	0.3
71.05794	0.1
85.02956	2.4
86.03294	0.3
97.91029	0.1
99.58130	0.1
111.00890	4.3
112.01251	0.5
121.02962	1.1
122.03308	0.3
134.03745	0.1
135.04530	0.1
142.11157	0.1
165.05507	0.1
175.23999	0.1
185.21552	0.1
284.03323	0.1
448.23758	0.2
676.88135	0.1
715.32092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01385	4.6
69.06068	1.4
69.06474	3.8
71.01385	16.0
85.02950	1.0
88.98814	2.2
89.02438	1.0
99.04536	1.3
101.02457	1.3
115.00379	8.0
121.02966	100.0
122.03295	2.8
125.02460	1.5
151.84102	0.7
159.91159	0.8
160.01674	1.2
175.04036	1.1
237.04050	18.2
238.04463	0.8
281.30112	0.7
399.12991	0.8
416.21918	0.8
459.14926	1.1
521.20374	1.8
656.28424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.33
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	7.6
59.01387	100.0
61.41463	3.2
71.01385	58.8
71.43903	3.6
73.02953	11.1
83.01434	3.4
85.02966	14.7
87.00880	14.5
89.02454	75.9
90.98620	3.9
93.03518	3.8
96.22166	3.1
99.00890	4.3
99.04527	4.4
101.02460	31.6
107.59076	3.5
111.00883	9.2
113.02462	12.7
119.03535	9.0
119.05043	11.4
122.03740	6.0
123.00900	4.2
131.03488	19.7
134.03760	7.9
135.04510	5.2
143.17921	4.3
149.02478	9.1
149.04596	26.4
149.05783	5.1
150.03232	39.9
151.03960	10.5
161.04527	4.9
163.03981	17.3
165.01732	3.3
165.05583	44.8
166.02776	5.7
179.05608	12.4
179.07086	5.5
181.05049	5.6
191.03432	4.2
191.05656	14.3
193.05048	12.0
195.06697	17.3
206.05786	3.4
209.08223	4.6
221.08232	5.1
271.02469	5.6
277.07141	5.8
299.02106	4.2
314.09656	4.6
337.09238	15.1
461.14542	9.8
561.17822	5.8
579.16809	22.7
580.17346	4.5
623.20074	5.6
635.46228	4.0
673.85406	4.3
699.30798	88.0
700.31256	10.6
725.78986	3.6
732.82611	3.9
759.23596	42.6
760.25079	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	759.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	53.7
61.98824	4.7
71.01385	29.0
71.92553	1.5
73.02944	4.8
81.03453	3.4
82.95411	1.6
83.01395	3.0
83.05032	19.1
85.02967	6.2
87.00877	4.1
88.60643	1.4
89.02435	6.6
93.03458	1.5
95.05035	3.7
97.02943	1.8
97.06612	7.6
98.21913	5.5
99.00869	2.2
101.02464	8.2
107.05014	2.0
109.06594	6.2
111.08202	2.0
113.02457	5.5
119.03445	2.4
121.02945	6.1
125.06104	6.9
125.09720	6.2
127.07616	2.0
127.11246	4.3
135.08163	5.9
136.57698	1.6
137.06093	1.9
139.07637	6.8
143.07143	8.8
153.09161	4.3
155.07181	2.6
155.10811	3.3
161.04568	3.4
163.11288	5.2
165.09198	2.5
165.12776	1.6
169.08701	4.3
170.24924	1.6
171.10289	35.8
172.10634	1.6
173.08244	7.4
177.09193	1.6
179.07146	2.2
179.74234	1.5
181.08716	65.2
185.11833	3.2
191.10712	1.8
197.08195	2.4
197.11801	5.8
199.09854	8.3
201.11348	77.3
202.11710	2.0
207.10269	3.7
209.11845	100.0
210.12126	3.1
211.95399	1.6
213.11334	2.0
225.11401	7.6
227.12888	10.0
235.08197	6.1
253.09270	32.8
277.14471	3.2
305.17538	11.0
307.19095	6.5
313.20139	3.9
323.18457	3.0
325.20251	3.0
437.20105	2.2
471.77878	1.6
509.18127	2.3
541.26471	6.6
559.27295	2.6
705.36304	1.8
723.35828	2.9
759.38721	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	759.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.4
59.01386	45.0
60.01712	2.0
61.98838	8.7
69.03462	1.6
71.01393	8.6
71.05022	3.3
72.22335	1.0
72.99285	1.1
73.02937	2.8
73.67149	1.1
82.95430	14.3
83.05013	4.3
84.95127	24.4
85.00446	29.9
85.02950	3.2
87.00860	1.9
89.02454	7.3
95.01402	1.9
95.04991	1.2
95.09657	1.1
96.96030	1.8
97.02963	5.4
97.06587	6.2
99.00889	24.3
101.02440	6.1
103.86378	1.1
109.06596	2.2
110.03770	1.3
113.02446	3.7
116.92883	2.1
119.03467	1.5
119.08673	1.0
120.62331	1.1
121.02989	7.1
123.08177	2.0
125.06007	1.3
125.09718	8.4
127.07656	2.2
135.08160	3.6
136.03929	1.4
136.05174	1.2
139.07578	1.7
143.07140	3.7
147.58099	1.0
153.09239	2.2
153.12912	1.1
155.14452	1.3
157.08713	1.9
161.04485	1.9
163.11316	13.0
169.08717	2.5
171.10283	6.6
179.10800	1.6
181.08791	6.4
181.12364	25.0
185.11778	1.4
197.11871	8.8
199.09685	1.1
199.13441	17.7
207.08286	2.0
207.10280	41.0
208.10712	1.6
209.11842	5.9
210.09064	1.3
217.15930	2.1
223.09892	1.1
225.11354	61.5
226.11584	1.7
243.12392	39.2
244.12691	1.6
253.09325	3.8
259.05966	1.1
279.16013	6.6
297.17123	1.9
304.79047	1.2
307.19101	2.4
414.09845	1.2
461.20108	4.4
479.21341	22.1
480.21768	1.3
705.33099	1.3
741.36877	18.1
742.37683	2.4
759.38123	100.0
760.38165	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	759.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80571	5.1
61.98837	82.2
70.56850	11.0
71.01376	6.2
75.05594	5.1
78.95925	16.1
85.00441	7.0
95.32854	5.7
139.70900	5.1
173.92693	6.0
185.68143	6.1
209.11845	100.0
227.12915	21.8
253.09230	7.5
263.09009	6.9
277.21716	58.9
458.07733	6.3
537.53040	6.4
759.41144	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.1
61.98845	20.3
69.25378	19.8
79.11532	4.2
80.89111	3.4
81.74730	3.4
83.84653	3.3
93.24934	4.2
98.21794	6.6
133.04115	4.1
209.11847	73.6
227.12929	12.5
235.08197	10.8
253.09358	13.3
273.94250	3.9
277.21738	100.0
278.22064	6.2
759.41333	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	759.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.7
61.98840	32.6
71.01387	11.2
76.99512	5.1
83.05039	9.5
98.22723	10.2
108.02180	5.6
114.80616	5.3
121.02988	9.2
125.06072	6.8
125.09776	6.6
127.07662	8.6
135.08221	5.6
137.06126	5.6
139.07664	11.1
152.70551	4.6
153.09207	17.0
163.11301	12.7
171.10266	21.8
179.10934	5.7
185.11836	18.5
191.10707	8.4
197.11900	42.6
201.11316	5.4
207.10269	22.0
209.11836	100.0
225.11272	10.0
227.12816	6.9
228.86798	6.4
239.16444	6.0
253.09409	7.5
277.18112	7.6
280.43506	5.3
287.16769	9.7
289.18143	22.6
299.15152	8.9
305.17639	60.6
307.19223	79.6
308.19623	6.7
323.18683	11.7
325.20288	37.6
379.21310	14.4
531.08374	5.6
618.34528	7.2
636.35388	45.9
637.34998	7.8
706.44653	7.8
717.84705	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	759.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00523	1.1
57.03457	2.5
59.01081	2.5
59.01385	62.1
60.99313	11.8
61.98837	100.0
69.85554	1.1
71.01392	16.9
71.41984	1.3
73.02952	6.1
80.54166	1.2
83.01402	4.6
85.02943	9.5
87.00887	1.8
87.04558	1.1
88.98817	62.1
89.02476	6.1
96.96026	2.5
99.00883	3.4
100.32832	1.1
101.02449	12.4
109.02946	1.4
111.00892	5.7
113.02462	7.3
116.92879	4.0
119.03519	2.6
121.02979	1.7
125.02389	1.1
128.03644	1.1
134.03758	1.3
142.33337	1.1
150.03247	2.1
151.59456	1.3
152.21953	1.0
160.01755	1.7
161.04576	2.7
175.04066	2.0
179.03531	1.5
193.05121	2.2
255.02896	1.5
266.12018	1.1
283.02390	1.6
283.27173	1.1
380.22754	1.1
459.31735	2.2
459.38712	1.0
477.32187	8.3
519.33160	4.3
615.29767	1.2
621.36359	22.6
627.08856	1.3
639.37744	13.6
681.38562	53.4
682.39105	5.2
699.40167	3.5
723.36450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18250	0.6
59.01390	5.7
61.98833	12.7
62.72540	0.5
63.02406	1.0
65.00342	1.0
65.32606	0.6
67.01903	4.6
70.76849	0.6
71.01397	2.1
83.01407	1.4
85.02945	2.9
86.34830	0.7
87.00902	1.0
89.02481	1.1
93.03494	1.3
96.96029	1.5
99.00948	0.9
101.02419	1.1
101.52029	0.5
107.01446	1.8
108.02242	0.7
111.00890	67.6
112.01226	1.6
113.02438	1.0
114.05641	0.6
117.03488	2.2
121.02940	3.7
123.04530	1.1
134.03763	1.2
135.04578	1.0
145.02946	0.8
151.00410	2.1
151.04025	1.1
154.99918	0.9
155.05075	0.8
159.04524	0.9
160.01683	1.5
171.04581	0.9
173.00864	0.7
175.04042	1.3
181.12434	0.7
183.04533	4.4
185.02626	0.9
193.05159	1.1
194.05450	0.9
199.04097	0.7
207.10117	0.7
211.04022	4.1
213.05440	0.9
214.02873	0.9
225.11292	1.5
226.11470	0.7
227.03471	6.0
239.03589	0.8
243.03081	0.6
243.12415	4.1
244.12854	0.8
255.03009	54.8
256.03503	2.3
257.04449	0.7
269.04575	0.9
283.02499	100.0
284.03067	7.1
285.04065	61.7
285.07333	1.5
286.04404	2.1
327.05090	2.2
459.09503	4.6
538.23676	0.7
561.75519	0.7
585.14862	15.1
586.15680	23.8
587.15845	1.4
594.69495	0.7
719.90027	0.7
736.37897	0.6
760.20874	31.2
761.21216	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	760.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18250	0.6
59.01390	5.7
61.98833	12.7
62.72540	0.5
63.02406	1.0
65.00342	1.0
65.32606	0.6
67.01903	4.6
70.76849	0.6
71.01397	2.1
83.01407	1.4
85.02945	2.9
86.34830	0.7
87.00902	1.0
89.02481	1.1
93.03494	1.3
96.96029	1.5
99.00948	0.9
101.02419	1.1
101.52029	0.5
107.01446	1.8
108.02242	0.7
111.00890	67.6
112.01226	1.6
113.02438	1.0
114.05641	0.6
117.03488	2.2
121.02940	3.7
123.04530	1.1
134.03763	1.2
135.04578	1.0
145.02946	0.8
151.00410	2.1
151.04025	1.1
154.99918	0.9
155.05075	0.8
159.04524	0.9
160.01683	1.5
171.04581	0.9
173.00864	0.7
175.04042	1.3
181.12434	0.7
183.04533	4.4
185.02626	0.9
193.05159	1.1
194.05450	0.9
199.04097	0.7
207.10117	0.7
211.04022	4.1
213.05440	0.9
214.02873	0.9
225.11292	1.5
226.11470	0.7
227.03471	6.0
239.03589	0.8
243.03081	0.6
243.12415	4.1
244.12854	0.8
255.03009	54.8
256.03503	2.3
257.04449	0.7
269.04575	0.9
283.02499	100.0
284.03067	7.1
285.04065	61.7
285.07333	1.5
286.04404	2.1
327.05090	2.2
459.09503	4.6
538.23676	0.7
561.75519	0.7
585.14862	15.1
586.15680	23.8
587.15845	1.4
594.69495	0.7
719.90027	0.7
736.37897	0.6
760.20874	31.2
761.21216	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	760.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.98835	2.2
65.29729	0.4
67.01900	6.2
71.01389	1.2
71.40871	0.6
80.31260	0.4
85.02960	55.9
89.02442	0.7
91.67248	0.5
104.52650	0.5
111.00894	100.0
112.01221	1.1
121.02967	10.5
129.01958	3.5
145.06621	0.5
160.01733	0.5
283.50500	0.5
376.21384	0.8
378.19281	2.1
390.19083	0.8
404.21210	0.5
432.20282	6.0
450.21387	1.8
646.91882	0.5
716.29254	11.6
717.29688	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98827	1.4
71.01369	1.3
86.63498	0.7
88.11116	0.7
160.01646	0.9
169.06615	6.8
179.03461	1.1
197.06091	100.0
198.06461	2.7
255.12666	96.5
256.13022	4.6
270.15005	50.5
271.15280	2.4
314.13989	92.2
315.14264	5.5
347.03668	0.7
358.13284	1.1
668.30676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
61.98822	1.4
65.00363	0.7
91.40792	0.5
93.03483	0.7
109.56386	0.5
115.65072	0.4
117.03506	1.6
151.00375	2.7
155.05084	0.8
159.04526	1.4
182.03831	0.6
183.04510	6.4
185.02415	0.9
209.11896	0.7
211.04030	3.8
226.02719	0.7
227.03510	5.6
255.03004	57.7
256.03491	3.3
283.02502	100.0
284.02982	8.5
285.04071	17.8
286.04456	1.1
423.09357	0.8
458.62961	0.6
460.71265	0.7
526.72430	0.5
527.11902	0.7
555.11310	3.1
556.12256	45.5
557.12976	28.0
557.20483	0.6
558.13318	1.2
701.17560	2.7
761.19324	18.7
762.19818	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	761.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86684	0.1
59.01384	2.4
60.01719	0.2
61.01809	0.2
61.98833	100.0
69.00996	0.1
79.38701	0.1
98.22659	0.4
101.02535	0.1
107.57728	0.1
111.21815	0.1
121.02982	0.3
199.25255	0.1
255.03065	0.2
283.02649	0.3
285.04190	0.2
393.44650	0.1
409.93878	0.1
557.13043	0.3
752.69824	0.1
761.40552	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	761.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81252	9.1
59.01386	49.7
61.98835	92.1
69.87048	8.7
70.72325	8.8
71.01398	25.3
72.99330	12.1
79.31812	9.3
83.05032	14.0
84.73505	10.0
88.98835	15.3
89.02455	18.8
96.30672	11.3
97.02914	11.2
108.80120	9.5
116.92904	11.7
163.07637	13.6
171.10257	24.6
177.32993	10.1
181.08705	100.0
199.09872	21.5
207.10463	10.8
209.11948	30.0
214.91722	10.8
225.11334	13.2
246.02934	11.9
253.09227	27.9
289.18234	82.9
307.19171	68.2
309.20691	23.4
512.21014	11.1
525.27338	13.0
543.27911	24.1
707.36761	20.0
761.34827	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89574	10.6
57.79143	10.5
61.98839	100.0
65.31894	10.2
107.03250	9.8
111.81927	12.8
141.01898	9.9
196.83167	10.2
207.10338	27.2
209.11757	25.2
253.09225	14.4
281.17725	17.1
330.83679	11.8
604.90961	11.0
707.36206	32.6
725.37482	33.9
751.85193	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	761.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59365	7.6
61.98830	100.0
64.97488	5.9
81.74293	5.8
89.37112	7.3
118.83459	6.1
135.08089	7.6
150.26306	7.5
171.10258	7.3
179.07161	11.5
179.37733	6.2
247.68459	7.3
291.19919	14.1
307.19208	12.1
309.20615	33.4
371.34293	6.4
545.29938	15.7
707.35144	12.4
725.37537	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	761.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69159	5.4
59.01371	27.3
61.98827	43.7
64.02538	6.3
69.60234	11.4
69.60600	23.3
71.01386	10.2
82.63023	6.2
83.05013	15.3
96.96017	8.9
98.22681	8.4
102.85146	6.5
110.85203	6.3
135.08165	20.0
163.11302	9.1
171.10287	12.6
179.07166	46.6
181.08739	58.0
181.12386	6.3
197.08234	14.8
207.10269	22.2
209.11806	43.7
225.11356	14.5
235.08331	10.0
241.91682	7.0
245.18973	6.9
253.09302	40.4
261.14746	8.0
270.15860	6.4
281.17593	18.2
289.18250	35.2
291.19751	56.7
307.19205	49.0
309.20737	100.0
331.75565	6.5
461.20657	8.2
527.28180	8.6
707.36530	18.7
725.37231	37.6
761.35059	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	761.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	100.0
68.18959	29.4
70.94041	20.9
88.62144	21.2
100.27864	22.4
128.32617	27.4
141.08289	20.6
147.53506	22.6
159.82364	23.4
165.87944	24.3
380.64236	24.8
543.56146	27.4
641.06183	24.4
726.82483	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	761.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.1
59.08000	5.0
61.98839	68.5
64.26157	5.4
69.21447	25.7
93.12905	5.3
94.92566	9.0
98.21803	10.3
115.15694	6.1
125.09707	6.2
129.09210	8.6
141.09306	9.7
153.09251	9.7
155.10812	12.8
163.11302	7.8
165.12914	7.2
165.56491	5.4
171.10262	19.6
185.11836	20.9
197.11887	25.6
199.09781	8.4
207.10229	14.3
209.11845	100.0
210.12086	6.9
225.11264	13.8
251.59789	6.0
289.18130	15.6
291.19672	10.1
305.17584	46.6
307.19177	88.9
309.20792	21.7
325.20184	24.2
327.21878	47.9
600.82184	6.6
620.35822	9.9
638.36511	29.8
639.37000	8.0
707.43805	7.4
711.28412	5.9
731.61414	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	762.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09922	0.2
54.57171	0.2
57.03457	1.1
58.74635	0.2
59.01381	1.1
60.62691	0.2
61.98833	2.1
67.01900	4.8
71.01383	0.5
74.72411	0.2
80.19482	0.2
83.01428	0.2
85.02964	1.9
87.00887	7.8
89.02461	0.4
94.51834	0.2
96.96033	0.5
98.87255	0.2
111.00896	100.0
112.01192	1.0
121.02971	2.1
128.57085	0.2
129.01961	0.4
149.18689	0.2
150.03242	0.2
151.04054	0.2
160.04071	0.7
161.02237	0.2
161.25449	0.2
165.05603	0.3
170.78392	0.2
173.00934	6.1
175.04060	0.3
191.02014	3.2
366.38553	0.2
562.00232	0.2
762.30292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01378	1.4
61.98837	2.8
67.01894	4.6
68.72611	0.2
69.58820	0.9
71.01389	0.8
83.01417	0.2
85.02957	2.0
86.98177	0.2
87.00884	8.2
89.02502	0.4
90.92992	0.2
92.85494	0.3
94.32405	0.2
96.95961	0.3
98.19555	0.2
101.02443	0.6
103.36293	0.2
111.00890	100.0
112.01209	1.1
113.02448	0.3
115.12103	0.2
121.02957	2.3
129.01974	0.5
135.04507	0.2
150.03230	0.2
154.99854	0.3
160.04012	1.4
161.02342	0.3
165.05618	0.3
173.00914	6.1
175.04019	0.4
191.01994	4.0
191.03583	0.4
211.13524	0.2
255.03165	0.2
283.02509	0.4
285.04095	0.3
566.19629	0.4
700.30243	0.2
762.29034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33650	0.2
59.01384	100.0
60.01721	0.3
61.98844	1.2
71.01396	0.6
89.02464	0.3
93.80430	0.2
99.00933	0.2
101.02461	0.2
113.03545	0.2
113.04330	0.2
121.02967	6.4
122.06221	0.2
166.04906	0.2
169.01573	0.2
171.10295	0.3
209.11929	0.7
327.80133	0.2
418.97540	0.2
444.10126	0.2
578.24481	0.6
610.26990	1.1
732.93402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
59.66533	0.4
59.84004	0.4
61.98836	9.8
63.02411	0.5
65.00339	0.9
68.78502	0.3
71.01392	1.1
73.02959	1.7
83.01397	0.4
85.03019	0.4
89.02468	0.9
92.08136	0.4
93.03465	0.5
98.21896	1.1
99.92590	0.5
101.02439	0.6
107.01389	1.7
109.02981	1.3
116.92870	3.9
121.02989	0.9
133.02946	1.2
143.05016	0.7
145.02960	0.4
147.00941	0.4
147.04604	0.4
149.02492	0.6
151.00381	3.7
163.00423	0.5
165.02055	0.5
171.04546	1.5
175.04051	1.2
178.99770	0.5
187.04041	1.1
199.04002	5.4
201.00287	0.4
201.01865	2.1
203.03516	1.2
206.66226	0.4
215.03470	2.2
226.02776	1.1
227.03535	4.5
236.40469	0.4
236.80524	0.4
241.01427	0.6
242.02193	1.3
243.02977	5.2
254.02229	0.5
255.02997	2.1
270.01611	0.6
271.02496	59.8
272.02881	2.2
282.01736	0.7
283.02509	1.8
284.03015	0.8
285.04105	0.7
299.01981	100.0
300.02649	8.8
301.03540	10.9
307.04688	0.4
367.06747	1.0
395.06143	0.6
457.07834	0.5
474.07907	3.4
475.08823	0.8
515.07880	1.8
516.09125	38.3
517.09851	13.6
517.16803	0.5
547.10681	0.5
703.15338	2.1
721.16327	2.2
763.17310	30.6
764.17749	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	763.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33372	0.4
59.01385	4.4
61.98837	5.8
63.02409	0.5
65.00359	0.3
69.31461	1.7
69.52184	0.3
71.01392	1.5
83.01395	0.5
85.02950	0.7
89.00324	0.3
89.02435	0.4
96.32941	0.3
96.96027	0.7
99.83645	0.3
101.02441	0.7
107.01407	1.5
108.44678	0.3
109.02982	1.3
113.02460	0.5
116.92883	1.7
121.02972	0.6
133.02977	1.2
135.00890	0.4
139.04012	0.5
143.05017	0.4
147.00848	0.5
147.04590	0.4
151.00375	4.6
151.59998	0.3
161.02512	0.4
161.04631	0.5
163.00421	0.6
165.05571	0.6
171.04530	1.5
173.02402	0.5
175.00406	0.5
175.03999	0.9
178.99936	0.6
183.04443	0.5
187.04033	0.7
196.64400	0.4
197.02333	0.4
198.03204	0.6
199.04010	5.1
201.01959	1.2
203.03546	0.7
211.03851	0.5
213.01910	0.6
214.02805	0.4
215.03474	2.6
226.02689	1.0
227.03528	3.7
242.02348	0.9
243.02963	4.7
255.02966	1.8
271.02490	57.5
272.02954	3.3
272.31970	0.4
273.04111	0.4
283.02451	0.5
284.03113	0.4
299.01978	100.0
300.02475	6.9
301.03552	10.9
367.06555	0.6
432.06921	0.8
487.08667	0.5
515.08069	1.7
516.09113	40.9
517.09790	12.3
517.17694	0.5
518.10425	0.5
535.48828	0.4
547.10919	1.1
703.15149	3.5
721.16553	2.5
763.17310	38.5
764.17542	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01386	6.1
65.85253	0.4
69.45751	0.4
71.01386	1.7
71.44020	0.5
73.02938	0.6
78.33904	0.4
85.02918	0.4
87.00900	0.5
89.02453	2.3
96.96026	2.0
96.96976	0.4
99.00853	0.4
99.04514	0.5
101.02452	1.4
103.00382	1.6
107.05041	0.5
121.02979	4.5
127.15344	0.4
130.25349	0.4
131.03563	0.7
134.03772	0.9
135.04541	100.0
136.04892	2.1
149.04565	1.5
149.09721	0.7
163.04033	3.2
167.10803	0.6
191.05659	1.5
193.05054	0.6
213.32144	0.4
225.04041	3.6
232.33495	0.4
248.02103	0.4
501.48511	0.4
537.25598	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	763.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09024	4.1
59.01383	11.3
61.59205	4.0
61.98826	29.0
71.01378	5.3
74.15698	4.7
83.05033	11.3
89.02473	5.9
98.21859	12.6
151.63718	4.4
157.08736	4.4
181.08725	67.6
199.09779	13.5
201.11287	4.4
209.11824	5.2
235.08246	5.3
253.09222	9.5
289.18082	4.4
291.19775	24.4
307.19574	5.2
309.20715	100.0
310.21017	5.1
386.44788	4.5
403.24292	4.5
450.36765	4.5
527.28192	6.6
545.29834	37.7
546.29706	4.7
709.37909	11.0
727.37250	17.8
750.06458	4.1
763.36725	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	763.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.7
61.98838	31.0
64.24633	5.4
64.54219	6.1
69.94627	5.7
69.94973	16.4
70.97211	5.3
74.45528	5.9
78.68694	6.1
79.39635	5.9
83.05063	7.5
91.50553	6.4
91.98886	6.1
95.41305	6.3
113.02471	5.9
122.88456	5.8
142.58664	5.9
155.26193	5.4
171.49690	6.1
181.08722	64.7
199.09814	15.6
202.65224	6.1
209.11823	7.9
220.20560	6.1
253.09299	21.0
291.19785	42.7
309.20752	100.0
310.20859	6.3
351.19968	5.7
441.16916	6.2
628.34277	7.5
756.72839	6.4
763.36700	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91342	5.3
59.01371	7.1
61.98836	71.3
171.10304	9.2
205.46408	6.2
209.11841	100.0
227.12956	17.4
253.09267	18.3
263.16504	20.7
281.17450	35.1
307.18988	7.2
398.74261	6.0
400.61243	6.5
425.66705	6.2
445.20621	7.6
763.36853	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55832	2.9
59.01383	5.2
60.65131	2.8
61.98839	21.0
70.06393	8.1
71.01405	2.7
73.02972	3.0
79.11439	3.3
83.05030	5.7
87.00871	2.8
91.38226	2.9
96.27624	2.8
101.02449	3.0
137.53458	3.5
163.11311	4.3
165.12868	3.5
209.11848	100.0
227.12907	27.3
235.08318	8.9
253.09314	16.9
263.16577	10.3
281.17603	53.1
331.75073	3.5
445.20822	6.7
499.25339	6.7
517.26556	8.3
709.38251	8.0
727.39069	9.1
733.91461	4.4
763.36737	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	763.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54044	17.6
59.01374	23.7
61.98831	59.6
70.51371	31.4
82.70866	16.1
82.82355	16.4
85.01926	15.8
126.65218	15.5
209.11868	100.0
227.12767	22.0
233.26404	18.5
245.20410	15.9
246.45107	16.5
249.18556	47.9
319.29361	15.5
411.62024	19.3
501.00845	17.2
593.54059	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	764.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89373	1.5
59.01378	6.7
66.13139	1.5
71.01388	1.7
71.15765	2.1
71.16119	1.6
73.02957	2.0
78.58022	1.5
96.96008	2.8
97.02941	3.7
101.02451	4.4
109.06606	11.8
113.02497	2.1
113.85622	1.6
117.60196	1.6
124.01491	1.4
153.48927	1.6
156.89040	1.5
157.59615	1.5
161.04509	1.6
163.11308	8.5
189.09175	2.1
207.10275	51.6
208.10605	1.9
212.98149	1.5
225.11378	14.0
235.08282	6.5
245.04056	1.5
253.09290	12.1
277.21756	100.0
278.22101	4.6
443.19272	4.6
461.20425	4.5
721.41754	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09845	2.0
58.73188	2.0
59.01379	9.2
61.98831	3.4
62.88796	2.2
63.50666	2.1
70.71645	3.2
70.71981	2.4
71.01390	3.4
97.02970	4.8
101.02448	4.1
109.06595	36.2
121.06647	3.3
163.11296	17.8
180.16553	2.1
181.12363	3.3
189.09285	3.1
207.10274	100.0
208.10716	4.0
225.11328	32.2
235.08188	3.8
241.41161	2.2
253.09297	14.4
277.21747	67.5
278.22037	4.1
292.29715	2.3
423.32022	2.6
443.19183	8.1
455.65399	2.2
461.20383	12.7
721.41797	35.4
722.42303	3.8
773.55127	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
64.71232	0.8
65.13599	0.8
67.01883	1.5
69.44106	4.0
80.32815	0.9
82.43348	0.8
85.02956	30.8
111.00894	16.9
129.01952	27.7
136.73286	0.9
137.61510	1.0
156.98209	1.3
158.99794	3.0
165.98553	0.8
173.00934	9.8
173.98459	2.3
184.97673	12.5
221.98433	1.4
222.93285	2.2
223.99889	1.4
226.01596	3.9
228.96666	2.6
240.94254	2.0
251.99545	15.2
258.94440	2.6
262.96292	2.0
282.99069	5.6
283.98502	3.6
286.82443	1.0
288.94260	3.2
290.95880	8.2
298.97772	1.6
306.95401	6.9
308.93423	1.6
308.96957	38.0
316.94052	4.2
322.94910	1.0
324.95514	3.4
326.97156	5.1
334.90738	1.7
334.94907	36.7
352.95044	9.7
360.92810	26.9
361.93115	1.2
378.94116	12.8
422.92780	100.0
423.93231	3.2
440.93512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11379	5.3
69.11782	2.1
80.33468	0.9
85.02954	84.5
86.03292	1.1
90.97171	2.1
92.93469	1.1
94.76288	1.0
111.00893	21.2
111.83137	1.0
129.01955	83.6
156.98270	1.8
158.99763	3.2
166.97614	2.9
173.00926	29.3
173.98476	1.9
184.97699	13.2
190.25105	1.1
199.96404	1.0
210.96449	1.5
222.93301	2.9
223.99968	1.4
226.01653	5.2
228.96629	2.2
233.98576	1.1
240.94359	1.5
251.99565	12.7
262.96323	2.1
264.94113	1.7
266.92291	1.7
282.98969	6.2
283.98520	1.9
288.94281	4.3
290.95932	8.7
306.95300	5.6
308.96970	44.2
316.93881	5.7
322.94815	1.7
326.97324	1.8
334.94943	43.4
335.95419	1.2
352.95178	3.2
360.92798	27.6
361.92963	1.2
378.94476	21.2
422.92889	100.0
423.93161	3.7
555.65350	1.0
709.50958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11379	5.3
69.11782	2.1
80.33468	0.9
85.02954	84.5
86.03292	1.1
90.97171	2.1
92.93469	1.1
94.76288	1.0
111.00893	21.2
111.83137	1.0
129.01955	83.6
156.98270	1.8
158.99763	3.2
166.97614	2.9
173.00926	29.3
173.98476	1.9
184.97699	13.2
190.25105	1.1
199.96404	1.0
210.96449	1.5
222.93301	2.9
223.99968	1.4
226.01653	5.2
228.96629	2.2
233.98576	1.1
240.94359	1.5
251.99565	12.7
262.96323	2.1
264.94113	1.7
266.92291	1.7
282.98969	6.2
283.98520	1.9
288.94281	4.3
290.95932	8.7
306.95300	5.6
308.96970	44.2
316.93881	5.7
322.94815	1.7
326.97324	1.8
334.94943	43.4
335.95419	1.2
352.95178	3.2
360.92798	27.6
361.92963	1.2
378.94476	21.2
422.92889	100.0
423.93161	3.7
555.65350	1.0
709.50958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
60.99310	17.1
61.98826	2.1
68.45992	0.3
71.01385	0.9
85.00409	0.4
87.00872	3.6
88.00417	1.6
88.01209	0.7
88.98811	100.0
89.02448	27.6
89.99152	0.8
90.02775	0.4
101.02465	0.3
101.88391	0.4
113.02567	0.3
148.91003	0.3
177.97807	0.4
231.48477	0.3
277.21896	0.8
397.13287	1.5
415.14850	0.6
449.74451	0.3
578.52759	0.4
587.25732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03172	5.3
57.03454	100.0
59.01382	76.6
69.35323	5.0
69.35712	5.6
70.76558	2.6
71.01384	16.0
73.02959	5.4
81.03439	3.4
83.01396	5.2
85.02968	8.6
87.00847	2.4
89.02454	5.3
95.01394	3.2
96.96029	4.2
99.04530	87.9
99.05178	5.3
101.02461	29.5
113.02454	10.3
121.02962	12.9
125.01640	3.7
125.02464	41.0
136.19061	3.0
140.74290	2.7
143.03539	4.6
160.05550	2.6
161.04584	4.2
170.78055	2.6
235.11832	12.3
235.65056	2.9
249.06105	7.4
277.12872	18.1
285.09039	4.7
317.15997	6.2
371.09912	20.4
379.16055	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98837	100.0
62.98543	0.2
113.02557	0.1
151.14809	0.2
178.29741	0.1
238.06343	0.1
417.43298	0.1
434.23520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94223	2.0
59.01381	6.2
59.83728	1.8
61.98821	1.8
66.55836	2.0
69.50117	2.6
69.50512	5.4
71.01391	2.7
74.14133	1.7
83.05042	3.0
84.69909	1.6
89.02425	2.9
98.21871	3.2
101.02495	2.5
163.11246	2.2
169.67789	2.3
177.21927	2.3
209.11839	69.7
223.09825	2.6
227.12894	8.8
235.08234	6.9
249.18549	2.1
253.09312	7.7
277.21741	100.0
278.21936	3.5
287.80978	1.9
316.02283	2.2
459.18915	2.0
650.39978	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	766.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.6
61.98826	3.8
62.79013	0.8
71.01371	1.8
80.85310	0.9
81.03490	1.2
82.05760	0.9
83.05045	4.3
89.02441	2.2
94.39384	0.9
98.21803	2.2
101.02467	2.3
102.78529	0.9
118.77065	0.8
133.46013	0.9
134.46158	1.0
161.04507	1.0
163.11263	2.6
165.12901	1.4
191.10796	1.2
209.11845	100.0
210.12228	1.7
227.12846	9.9
235.08191	1.8
253.09251	6.9
277.21744	50.5
278.22061	1.8
445.21103	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	767.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.6
63.28552	0.4
69.09569	1.5
69.09992	2.1
82.95416	1.2
83.01379	0.7
85.02964	0.9
89.02438	1.1
93.03458	0.8
99.04457	0.6
101.02468	0.6
107.01385	0.7
109.02953	0.5
117.03524	0.5
119.03498	0.5
125.02531	0.6
134.03737	2.6
135.04494	0.7
136.32945	0.4
149.06087	0.9
150.03230	0.5
151.00357	1.7
159.04527	0.7
175.04095	0.5
178.02725	2.0
178.99915	0.6
183.04520	2.2
185.06183	0.8
193.05046	5.0
211.03986	1.6
213.05650	0.6
227.03520	23.5
228.03891	0.8
239.03456	0.7
255.02998	44.0
256.03625	4.6
283.02505	28.7
284.03271	40.8
285.04056	48.6
286.04422	1.6
299.02191	0.6
337.18280	0.8
430.08963	1.5
431.09543	0.9
459.09360	100.0
460.09613	5.1
587.21466	2.6
621.14545	3.3
767.20276	2.5
767.28943	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16671	0.5
59.01383	2.5
61.66510	0.5
61.98818	0.9
63.02425	0.4
65.00325	0.7
68.91336	0.4
69.34109	1.8
70.20104	0.5
95.96383	0.5
102.13719	0.5
107.01357	1.1
111.54802	0.5
117.03505	0.7
117.42114	0.6
125.58574	0.4
133.02963	1.0
134.03767	1.2
141.48592	0.6
142.59229	0.6
151.00381	1.8
159.04466	0.6
160.01712	0.6
175.04005	1.0
183.04495	2.7
185.02409	0.6
185.06113	1.1
188.34628	0.5
191.05646	0.6
193.05130	1.5
210.96475	0.5
211.04037	1.8
215.03548	0.5
227.03528	21.7
228.03877	1.2
229.04942	0.5
255.03017	54.1
256.03616	4.6
268.03879	0.8
269.04611	1.9
271.02579	1.7
283.02509	43.3
284.03281	39.8
285.04065	35.4
285.07346	1.1
286.04477	1.6
297.04242	0.9
299.01929	1.8
309.04016	0.6
324.19455	0.6
385.65271	0.5
399.07230	5.5
417.08075	0.6
430.08871	0.9
431.10272	0.8
459.09360	100.0
460.09656	9.1
489.10297	1.2
583.43219	0.6
592.13898	0.8
605.22150	0.7
621.14581	10.5
622.14819	1.3
767.20654	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	767.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03447	0.8
59.01386	14.3
61.98836	100.0
69.03467	0.8
69.15377	0.5
71.01392	8.1
73.02966	2.8
82.95398	0.5
83.01414	1.7
85.00450	0.6
85.02962	4.0
87.00899	1.4
88.98813	1.7
89.02434	2.5
95.01394	0.9
96.96011	0.9
99.00894	0.9
101.02464	5.1
111.00847	0.6
112.01681	0.7
113.02471	2.9
113.68564	0.6
113.83904	0.6
116.92876	1.6
119.03540	0.7
124.01665	0.7
125.02470	1.6
131.16924	0.6
131.31088	0.5
139.11322	0.7
141.12878	2.5
161.04500	0.6
166.98129	0.6
171.13950	0.8
179.79402	0.6
185.11835	3.7
216.91968	0.5
227.03862	0.6
255.02989	3.6
255.05281	0.6
276.44009	0.5
283.02502	6.1
339.25464	1.3
357.26468	10.2
358.26636	1.3
377.05746	0.7
399.27484	0.8
446.08511	0.8
454.14667	0.6
483.29575	1.7
485.06372	0.6
501.30756	13.3
502.31143	2.1
519.31781	79.2
520.32123	9.5
543.31873	3.1
561.32855	38.4
562.33301	4.1
603.33881	0.8
679.17841	0.8
705.16504	2.4
721.16797	0.7
767.34790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04931	3.4
57.03449	3.3
59.01388	26.4
60.78863	3.0
61.98834	9.0
65.73380	3.3
69.75324	3.3
71.01384	24.2
78.47097	3.6
79.21768	3.5
81.03466	9.3
83.05026	11.3
85.02940	7.3
87.00890	4.4
89.02434	9.0
93.03458	3.5
95.05038	5.7
97.02956	9.5
97.06603	12.2
98.21872	6.6
101.02449	14.0
107.05045	9.4
108.02225	4.5
109.06600	30.1
111.08124	4.6
113.02470	7.8
113.06076	3.9
123.08162	12.2
123.96120	3.1
125.02422	4.5
125.06093	6.7
125.09727	41.9
129.41302	3.5
135.08173	15.3
139.07692	7.8
145.04964	3.6
151.07607	6.1
153.09258	8.6
159.04550	4.5
161.04581	5.1
161.09717	5.8
163.11298	27.4
171.10269	5.8
177.05588	10.7
181.12344	9.5
185.11827	16.5
187.09790	9.7
191.10815	5.1
197.11795	11.7
207.10284	67.2
209.11858	100.0
223.13387	6.1
225.11404	31.5
235.08232	5.5
243.17680	4.1
251.12778	6.9
253.09315	10.1
261.18445	4.0
277.18195	8.1
287.16354	7.1
289.18182	6.5
303.16025	10.6
305.02686	4.3
305.17612	30.7
321.17026	7.9
323.18777	4.9
325.17816	3.7
343.19373	7.9
361.20151	6.8
373.20145	6.3
385.20209	5.1
399.21838	3.9
403.21692	5.7
405.17834	5.1
461.20398	7.8
469.30106	4.3
495.27481	9.1
513.28540	7.0
541.26874	10.6
557.25995	4.3
597.29523	10.1
609.28735	10.8
611.30597	3.7
621.29010	13.5
625.28284	16.3
639.30591	30.5
651.31464	4.3
669.31226	10.3
680.30872	7.9
685.05719	3.8
705.35852	11.2
723.36432	11.6
731.36285	51.9
732.36847	7.5
749.37592	65.4
750.37372	7.1
767.38751	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01380	8.8
61.98820	1.9
64.79486	1.2
69.03461	3.9
69.85430	4.4
71.01381	8.9
71.05029	2.2
71.94198	1.3
73.02958	2.8
81.03477	1.8
83.05042	2.0
85.02969	1.4
87.00883	1.8
89.02428	4.3
97.02951	1.9
97.06574	3.3
101.02444	6.7
103.70107	1.5
111.56729	1.4
113.02456	4.1
123.08160	2.2
125.09711	6.5
135.08173	2.3
137.09744	2.4
150.10486	1.3
151.11285	2.8
153.09280	2.0
161.04593	1.6
161.09731	4.9
163.11351	3.3
169.08679	1.3
171.10286	35.2
179.10796	9.0
181.23962	1.2
185.11789	4.1
191.14337	3.8
197.11848	66.6
198.12158	3.1
207.10242	6.0
209.11852	11.1
209.37015	1.4
217.12260	1.4
221.56049	1.4
223.09772	1.9
225.11298	6.3
235.08293	2.0
241.10777	3.4
245.19151	8.1
253.09340	4.4
259.74423	1.3
289.18167	17.0
305.17612	14.2
307.19177	8.4
323.18527	1.9
359.15771	1.5
541.27014	2.7
615.30652	2.0
644.30151	2.6
695.36743	2.6
713.36755	1.7
716.73572	1.8
749.37433	2.8
767.38611	100.0
768.38837	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	768.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48078	0.3
59.01386	3.0
61.98834	100.0
69.09848	1.4
69.10246	0.6
71.01394	1.1
73.02942	0.4
82.95411	0.3
83.01414	0.3
85.00500	0.3
85.02978	0.8
87.66801	0.3
88.98914	0.2
89.02470	0.7
90.87379	0.2
96.96042	0.7
98.21784	0.4
101.02463	1.0
113.02471	0.7
117.03490	0.3
121.02997	0.3
134.03702	0.3
160.01605	0.3
183.04475	0.4
191.05615	0.3
193.05067	0.3
202.58708	0.3
211.04092	0.3
227.03545	0.9
227.59563	0.3
255.03004	6.0
256.03424	0.5
283.02499	12.3
284.03217	1.1
285.04034	4.6
312.88867	0.3
338.94656	0.3
441.08334	0.4
495.60852	0.3
500.09723	2.7
501.10330	2.7
519.32544	1.2
520.32465	0.8
561.32898	0.5
562.33331	0.6
705.16754	8.0
706.17773	1.0
768.48096	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	768.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49582	0.1
59.01382	0.6
61.98836	100.0
62.68698	0.1
69.05644	0.3
69.06062	0.4
71.01392	0.4
83.01425	0.2
85.02984	0.1
88.98848	0.2
89.02456	0.2
91.73129	0.1
101.02467	0.3
107.01398	0.1
111.00912	0.2
113.02471	0.1
116.92871	0.2
121.02978	0.2
151.00389	0.2
160.01604	0.1
175.04019	0.1
183.04517	0.2
187.07721	0.1
199.13480	0.1
211.04054	0.2
215.82401	0.1
227.03586	0.2
255.02980	2.6
256.03339	0.1
283.02496	7.2
284.03104	0.4
285.04120	0.3
357.26743	0.1
446.08508	1.9
447.09201	0.1
501.30560	0.1
502.31271	0.2
519.31976	0.7
520.32379	0.3
543.11652	0.3
561.32794	0.2
705.16809	3.9
706.17480	0.4
779.64252	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	768.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
60.18118	0.2
61.98835	100.0
71.01386	0.2
85.97581	0.2
87.29794	0.2
111.00917	0.5
120.15238	0.2
124.84286	0.2
130.97424	0.2
145.49004	0.2
145.87137	0.2
211.04204	0.3
227.03413	0.2
255.02992	2.8
265.73138	0.2
271.02814	0.2
283.02490	5.2
284.03186	1.5
285.04041	0.2
299.02048	0.2
381.06293	0.4
446.08701	0.4
447.09662	0.2
497.07727	0.2
543.11658	0.7
705.16766	4.4
706.17542	0.8
768.41425	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.8
59.49944	0.3
61.22985	0.3
61.77624	0.3
64.76775	0.3
70.02985	1.0
72.04549	4.1
82.02992	76.8
83.01409	0.4
83.03326	0.8
91.05539	5.9
96.96031	0.9
98.02492	8.1
100.04056	41.7
101.04395	0.6
116.92900	0.7
118.66470	0.4
134.03781	0.5
135.04552	0.3
147.04532	0.4
160.71609	0.3
164.07182	1.5
175.04099	0.5
176.10869	1.5
179.03513	0.3
180.14760	0.3
184.07764	0.5
191.05595	0.6
202.08748	15.5
203.09016	0.6
204.10307	0.4
205.04974	0.4
206.08173	1.8
220.09955	0.5
248.09291	100.0
249.09598	3.5
252.04047	0.3
271.02533	0.5
299.02002	0.7
748.62469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.98835	100.0
62.98523	0.3
68.13241	0.1
69.00976	0.2
69.06879	0.9
87.29343	0.1
116.13238	0.1
116.48591	0.1
177.02010	0.1
188.84464	0.1
209.11806	0.1
215.79973	0.1
317.85294	0.1
347.95700	0.1
380.48621	0.1
484.62854	0.1
634.46143	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	768.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
78.95916	0.3
88.98831	0.2
152.48038	0.1
156.83456	0.2
174.23862	0.2
186.46481	0.2
209.11719	0.2
215.18513	0.2
385.35303	0.2
460.40732	0.2
479.13379	0.2
559.35669	0.2
560.13971	0.2
577.87451	0.2
769.40765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.40019	0.3
65.89170	0.3
71.02963	0.4
72.11281	0.3
72.99321	1.0
74.93509	0.3
75.00864	1.9
78.95914	0.7
80.07491	0.3
104.34043	0.3
134.77504	0.3
159.91354	0.3
207.10278	0.4
249.18729	0.6
400.34164	0.4
504.72821	0.4
581.17834	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02023	1.4
59.01382	42.5
62.74001	1.5
69.34019	6.1
71.01389	26.0
73.02902	1.6
79.67219	1.4
85.02953	6.1
87.00870	3.1
89.02449	28.8
93.03501	1.6
96.95985	2.4
99.00887	4.7
101.02448	13.2
113.02455	11.1
113.19290	1.6
119.03525	10.1
121.02967	100.0
126.31065	1.5
131.03503	3.1
134.03728	1.9
135.02954	2.1
135.04539	3.5
137.02492	2.2
143.03481	3.7
160.91977	1.6
161.04527	4.8
165.02069	1.8
179.05602	24.7
230.77161	1.5
231.49776	1.6
275.15860	1.7
279.07175	6.5
301.09195	4.1
401.10962	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03440	3.8
59.01384	62.8
61.98830	14.8
67.79140	1.4
69.03441	1.6
69.15675	3.8
69.16080	3.8
71.01388	37.8
72.99329	3.6
73.02959	7.9
75.00871	1.8
81.03456	1.5
82.43488	1.2
83.01397	6.9
85.02967	18.7
87.00877	4.6
88.98813	5.6
89.02471	10.6
95.01395	4.4
97.02935	3.1
99.00893	2.6
101.02452	20.0
111.00887	3.8
113.02464	16.5
119.03510	3.6
119.04963	1.2
121.02944	3.6
123.04500	1.3
124.01725	1.4
125.02417	5.6
125.03212	1.2
127.95937	1.2
134.03784	1.8
135.04539	1.5
137.09753	2.0
143.03516	1.8
155.10785	4.1
159.02945	1.7
160.01686	1.5
161.04565	2.9
165.05560	1.7
175.03975	3.6
191.07234	1.9
193.05020	3.4
194.44841	1.4
201.14931	4.7
230.15157	2.2
235.06079	2.0
262.40530	1.2
285.04031	1.5
359.28033	11.7
424.43640	1.4
424.60028	1.5
487.25076	1.4
488.41260	1.5
489.10028	1.4
503.32568	6.4
521.33325	12.6
665.37622	100.0
666.38025	9.3
683.38696	52.4
684.38977	4.0
698.96564	1.7
725.39624	18.8
726.40082	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
58.57122	1.5
59.01385	15.3
61.98833	4.6
69.03463	5.9
71.01386	13.5
71.05014	2.2
71.20274	1.6
81.03472	2.5
82.74716	1.5
83.05003	2.7
85.02999	2.1
89.02433	2.4
96.96003	2.4
101.02431	6.8
110.03674	2.2
113.02428	3.9
116.92918	1.7
117.17210	1.8
123.08212	2.3
125.09702	6.7
151.07628	1.8
151.11266	2.4
153.12883	2.0
161.04568	2.8
161.09731	4.0
163.11307	6.6
165.12817	4.6
169.12381	2.1
171.10281	8.2
179.10789	5.7
181.12350	4.0
185.11839	2.9
191.86040	2.1
197.11838	80.9
199.13304	2.0
205.12300	2.1
207.10298	4.4
209.11823	27.8
211.13222	2.5
214.07616	1.8
223.09702	2.4
223.13380	17.2
225.11330	6.9
227.12955	6.6
235.08115	5.7
239.12721	1.9
241.10777	5.0
247.20651	3.0
253.09291	6.9
289.17999	2.4
291.19592	21.2
305.17566	7.6
309.20712	15.6
327.21725	9.0
378.75455	2.0
382.14020	1.9
538.16370	2.2
733.38000	3.2
751.39099	4.8
769.40192	100.0
770.40759	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	769.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03437	1.8
59.01385	18.4
61.98830	0.9
65.03950	1.0
69.03443	1.6
69.94230	2.5
71.01390	12.2
71.04999	1.0
72.99313	1.2
73.02939	3.1
80.02673	1.8
81.03460	3.5
83.01374	1.9
83.05045	8.6
84.02151	1.7
85.02970	3.9
87.00879	2.5
89.02456	6.2
93.03440	1.4
95.01371	1.2
95.05018	2.9
97.02974	8.6
97.06587	3.1
99.00883	2.5
99.04556	1.6
99.08161	0.9
101.02459	10.0
106.04234	0.9
107.05030	2.8
109.02946	1.2
109.06602	25.2
110.03735	3.5
111.00872	1.2
111.08108	1.4
112.05365	0.8
113.02448	4.4
113.06052	1.6
115.07652	1.4
119.03487	1.4
119.07700	0.9
121.02943	2.1
121.06585	2.3
122.03762	1.1
123.04503	3.0
123.08147	2.3
125.02444	1.4
125.06084	2.2
125.09731	11.1
127.07662	4.2
135.08170	6.5
136.05292	2.7
137.09724	1.6
137.69295	0.9
139.07649	2.3
140.82083	0.7
143.07089	1.9
145.05054	1.9
145.10274	0.9
151.07664	1.1
153.09253	8.8
155.10799	1.7
161.04556	3.4
161.09737	2.7
163.10020	1.5
163.11305	21.4
165.12849	3.4
171.10287	33.6
172.04866	0.8
172.10602	1.0
174.86681	0.9
178.10103	1.8
179.05652	1.8
179.10822	1.6
181.12344	5.4
185.11830	10.4
187.09753	2.7
189.09238	1.8
189.12744	0.8
191.10802	2.5
191.14357	2.0
197.11850	11.5
201.11362	4.3
207.10283	57.6
208.10640	1.2
209.11845	100.0
210.12117	4.1
217.12286	1.3
221.11758	1.8
223.13425	2.8
225.11346	30.3
227.12923	8.4
235.08246	5.7
235.13344	3.8
236.10779	1.0
237.11215	0.9
238.12083	1.5
243.12366	1.8
245.19066	2.4
251.12840	2.2
253.06914	1.1
253.09306	15.7
253.14275	0.9
261.18597	1.6
263.16483	1.0
265.14603	0.9
277.18140	1.4
279.16190	0.9
279.19601	1.3
287.16599	5.7
289.18164	8.1
291.19577	1.7
305.14246	1.6
305.17590	26.8
307.19171	32.5
308.19537	1.7
309.20685	1.3
316.54047	0.8
323.18768	4.6
325.20337	14.7
329.17532	1.6
343.18958	3.8
345.20825	1.8
361.19934	1.2
389.23367	1.0
405.17752	1.1
407.19296	1.1
443.19125	1.8
461.20499	10.3
479.27701	1.4
497.29272	4.1
500.82715	0.8
515.30396	4.6
523.25372	1.1
533.31451	1.6
541.26587	7.5
543.28461	4.6
559.27600	1.5
561.28760	1.9
593.28271	0.9
597.29218	1.0
607.35681	1.2
609.29321	2.0
615.30322	1.6
623.30811	1.6
627.29846	2.4
653.31763	1.6
664.31122	2.3
682.32257	2.4
700.33392	1.1
715.37012	3.4
723.39453	1.3
725.37897	1.6
733.38141	22.7
734.38361	2.6
751.39178	31.6
752.39191	4.5
769.40161	32.5
770.40375	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	770.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
67.59901	0.3
75.00896	1.4
75.93157	0.3
78.95934	0.8
93.83943	0.4
129.55255	0.4
150.47858	0.3
152.99640	0.6
616.59497	0.4
647.13837	0.4
656.51013	0.3
784.15344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98835	100.0
71.01415	0.2
78.95928	0.8
92.92811	2.1
92.97531	0.3
94.92522	1.8
94.98113	0.2
103.22379	0.2
112.95435	0.1
123.08101	0.2
142.11057	0.1
152.99625	0.3
171.10257	0.2
197.11940	0.3
201.64209	0.2
209.11884	0.6
225.11490	0.2
291.19757	0.3
726.19641	0.2
763.36639	0.2
770.40582	0.2
771.41498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.9
60.25427	1.0
60.99314	1.5
61.15348	1.0
61.98836	10.6
64.12637	1.0
65.19482	1.1
66.18850	1.1
71.01392	10.4
73.02950	3.8
75.00886	1.7
78.32847	1.0
83.01382	1.9
85.02959	4.5
87.00900	1.6
88.98804	7.1
89.02454	4.6
93.03476	1.5
96.96004	3.4
101.02441	5.5
101.91952	1.1
109.02977	1.4
113.02445	3.8
115.92089	1.8
116.92854	3.6
117.03518	1.3
119.03481	1.5
119.05042	2.2
121.03000	2.0
123.04507	1.7
127.82282	1.3
134.03783	1.7
135.04530	1.9
149.02362	1.3
150.86687	1.0
151.00404	3.0
159.04510	1.3
160.01682	2.5
161.02399	2.2
161.04604	1.6
163.03986	2.2
175.03983	3.7
183.04535	2.4
193.05122	2.3
193.39084	1.1
199.03981	2.0
211.04059	2.0
217.67300	1.1
226.02664	1.0
227.03424	4.4
228.88304	1.5
239.03603	1.1
243.02985	1.6
255.02980	40.4
256.03470	2.9
271.02460	18.8
272.03125	1.6
283.02496	100.0
284.03061	10.7
285.04059	21.9
299.02002	27.7
300.02676	2.5
301.03601	11.0
301.10855	1.7
308.83707	1.4
446.08478	14.3
447.09204	3.5
505.10437	2.6
521.32861	1.6
522.33606	4.6
564.35065	1.7
566.10657	4.7
567.11334	5.3
573.12787	4.2
609.29163	1.3
633.35461	1.3
651.37805	1.4
691.27740	1.7
735.17816	52.7
736.18396	7.6
771.18005	10.0
771.29724	2.6
772.18634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26563	0.7
57.03454	0.6
59.01384	9.3
59.30452	0.6
61.98843	3.3
65.00333	1.3
67.97231	0.6
71.01387	3.5
73.02937	0.8
78.66761	0.6
85.02971	1.5
86.53407	0.6
87.00871	1.5
87.79485	0.6
88.98820	1.5
89.02451	1.4
101.02451	1.9
107.01400	0.7
111.00890	1.0
113.02404	0.7
116.92870	1.6
117.03427	1.2
119.03445	0.7
121.02954	0.7
125.02407	0.9
134.03716	0.7
151.00377	1.8
152.07561	0.6
154.01450	0.7
159.04507	0.7
160.01627	1.7
175.04031	1.8
183.04501	3.2
193.05096	0.9
208.37347	0.6
211.04025	2.3
226.02769	1.0
227.03537	4.0
255.02994	37.2
256.03308	1.1
271.02386	1.6
283.02487	100.0
284.02951	6.5
285.04016	11.1
286.04236	0.8
299.01889	2.1
300.02527	0.6
354.22073	0.6
402.48001	0.8
429.06241	0.7
445.07660	1.3
446.08606	21.8
447.08856	2.0
480.89600	0.6
549.26538	0.8
566.10358	0.9
573.12445	6.8
615.13538	1.0
666.37799	2.1
667.38708	3.5
685.39642	1.3
727.41895	0.9
735.17798	35.3
736.17847	3.9
771.30957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
60.83635	0.4
61.98842	1.7
65.00337	1.9
69.78199	1.4
71.01385	2.9
71.64114	0.4
73.02937	0.5
83.01400	2.0
85.02975	0.8
88.98833	1.5
89.02468	1.2
93.03470	5.3
95.01386	0.5
98.22655	0.6
101.02467	1.4
107.01404	4.0
110.66743	0.4
111.00906	2.0
113.02455	1.1
117.03477	0.7
119.03526	0.5
121.02958	1.3
132.02220	0.4
134.03706	0.6
135.04584	0.5
136.01723	0.5
137.02461	6.3
145.02986	1.1
149.06047	0.5
151.00391	15.6
160.01657	0.5
160.03993	0.7
163.00406	0.6
164.01169	0.5
169.01511	0.6
175.00407	1.2
178.08759	1.9
179.03523	0.6
183.04552	1.1
185.06117	0.8
187.03978	0.9
191.05623	0.6
193.01271	0.5
193.05103	0.9
211.04091	1.7
213.05519	1.0
215.03577	0.5
227.03467	4.4
229.05074	1.1
239.03470	1.2
240.04213	0.7
241.05124	2.4
255.02994	16.1
256.03540	1.3
257.04672	3.0
281.06790	0.6
283.02499	22.7
284.03268	19.6
285.04062	79.6
286.04459	2.5
298.04807	1.0
327.05142	1.3
348.41092	0.5
424.50085	0.4
489.10440	1.7
566.10468	0.9
567.11450	100.0
568.11823	8.5
632.59943	0.5
667.38953	1.1
685.39911	0.6
727.40289	0.5
735.17090	0.6
771.18268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
59.01381	5.8
59.84291	0.5
61.98815	0.7
62.07744	0.5
65.00331	2.1
69.19489	3.1
71.01388	2.5
73.02939	0.7
82.69861	0.5
83.01382	1.4
84.95034	0.5
85.02964	1.2
87.00884	1.1
88.98795	0.5
89.02461	0.9
93.03465	3.3
95.88833	0.5
99.04543	0.4
101.02433	1.5
107.01418	2.6
111.00928	0.7
113.02410	1.1
117.03479	1.4
121.02982	0.7
135.04500	0.5
136.01697	0.9
137.02458	3.0
145.02859	0.6
147.04593	0.5
151.00389	8.5
159.04546	0.9
160.01588	0.8
160.04025	0.5
161.04420	0.6
168.88460	0.5
169.01488	0.7
175.00317	0.9
175.04054	0.8
179.03464	0.9
182.02220	1.7
183.04512	5.4
185.02516	0.5
197.04517	2.6
199.03976	0.7
208.89124	0.5
211.04028	4.2
227.03503	7.3
239.03542	0.9
241.05003	0.7
255.02998	54.8
256.03442	2.7
257.04529	1.6
261.11261	0.5
269.04523	1.5
283.02487	100.0
284.03217	14.3
285.04050	38.8
286.04437	0.8
297.04086	0.7
327.05161	1.2
429.08218	2.1
489.10419	13.2
490.11035	0.6
531.11157	1.0
565.09845	1.2
566.10632	13.6
567.11432	50.4
568.11371	3.0
667.39264	1.8
711.15912	1.9
771.17853	25.6
771.30890	2.5
772.18140	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	771.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31792	0.7
59.01378	1.9
63.02358	0.9
65.00327	0.8
69.08747	4.4
69.62586	0.7
96.96027	0.8
98.22645	1.2
107.01372	1.8
117.03454	1.1
119.05011	2.9
121.02960	1.1
122.01309	0.6
125.02383	0.9
135.00874	1.0
151.00443	3.6
156.94958	0.8
163.00443	1.3
163.04059	2.4
164.04828	0.9
171.04442	0.7
183.04492	2.3
185.02274	0.6
187.04068	1.2
187.83435	0.7
199.03969	0.8
211.04034	2.3
223.06129	1.1
227.03534	17.8
229.05185	3.6
239.03543	0.8
241.05077	1.7
255.03001	52.1
256.03665	3.8
257.04572	3.7
271.02557	1.3
283.02515	44.0
284.03287	53.4
285.04062	52.0
286.04343	2.0
299.01950	3.2
300.02853	1.1
301.03577	1.1
327.05139	2.5
430.73544	0.8
446.08670	2.2
447.08835	1.0
609.14655	100.0
610.14948	3.9
771.19611	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	771.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03454	100.0
59.01384	81.0
68.59380	1.5
70.97126	2.4
71.01384	14.3
72.65400	1.7
73.02943	6.7
76.47732	1.5
83.01389	5.6
85.02967	5.1
87.00870	2.1
89.02454	2.8
96.96066	2.2
99.00891	3.4
99.04530	77.8
101.02457	33.1
113.02460	5.7
119.42763	1.8
121.02992	1.8
125.02460	31.1
127.54576	1.8
127.66919	1.6
134.03680	1.6
143.03532	4.8
151.00352	2.4
156.62128	1.6
161.04561	8.4
171.55780	2.0
221.10312	30.3
227.03552	1.9
242.16052	2.0
255.03008	6.0
263.11441	11.3
271.02521	4.1
283.02509	6.1
284.03311	3.4
285.04047	16.4
299.01932	6.6
300.02863	2.3
301.03455	5.5
303.14517	5.2
365.14563	84.9
366.14786	2.5
404.56378	1.7
544.96698	1.8
609.14447	19.2
610.15369	2.2
771.19806	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	771.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84023	0.8
55.01876	1.8
57.03446	4.1
59.01382	60.0
61.98823	5.0
67.01881	3.5
69.03458	1.5
69.53117	3.7
71.01386	34.8
72.99328	1.4
73.02956	9.9
75.00877	3.1
81.03471	0.8
83.01379	5.7
85.02956	17.6
87.00877	3.7
88.98797	1.2
89.02454	11.5
95.01388	3.6
97.02990	2.0
97.67618	0.9
99.00883	3.7
99.04569	1.2
101.02450	19.8
111.00890	39.2
112.01662	1.3
113.02460	15.0
115.17125	0.9
116.92902	1.4
119.03493	3.4
121.02993	1.8
123.08163	1.0
125.02467	6.2
129.01955	1.5
134.03683	0.8
135.04480	1.4
143.03494	2.5
149.02441	0.8
158.56468	0.9
159.02995	2.1
161.04510	2.0
162.41684	1.0
171.13948	1.5
187.13322	1.0
201.14978	1.9
209.22118	0.8
255.02945	2.1
283.02457	2.5
284.03116	1.1
285.04059	2.4
297.23578	0.8
359.28195	2.3
361.29599	11.7
480.27863	1.0
483.68942	1.0
505.33926	6.8
523.34967	9.2
666.37646	1.3
667.39087	100.0
668.39673	7.0
685.40161	45.7
686.40759	2.0
727.41248	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	771.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.0
59.01385	8.9
61.98837	100.0
67.46276	2.0
71.01393	4.1
71.05028	2.9
72.71959	2.0
78.95918	18.5
80.02761	2.3
92.92777	3.0
94.92525	23.9
97.02948	2.3
99.00880	6.2
104.76921	2.5
107.83968	2.7
116.92883	2.2
125.09750	2.8
152.99539	5.9
163.11249	5.9
165.12944	2.2
181.12323	7.7
197.11761	4.0
199.13431	9.2
207.10284	17.0
209.11835	7.1
225.11356	23.6
235.57565	2.3
243.12390	5.8
247.20821	3.3
291.19690	15.7
307.19327	2.5
309.20911	11.3
445.19928	3.0
461.19925	8.5
706.41840	2.6
753.39935	2.6
771.41687	44.8
772.41425	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	771.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03447	0.5
59.01384	6.4
61.50990	0.5
61.98829	0.4
69.03455	0.5
69.68826	0.9
69.69209	0.7
71.01393	4.4
71.05022	0.6
73.02950	1.3
80.02670	1.0
81.03464	1.9
82.95390	0.5
83.01400	0.7
83.05029	4.9
84.02130	0.6
85.02944	1.1
87.00891	1.0
89.02438	2.3
94.45133	0.4
95.05041	1.5
97.02959	0.6
97.06586	1.2
98.21933	0.8
99.04552	0.4
101.02443	4.3
109.06601	2.1
109.61182	0.4
110.03709	0.5
110.83419	0.4
111.04540	0.5
111.08210	0.6
111.09253	0.4
112.05320	0.8
113.02457	2.2
115.07652	0.5
119.03522	0.8
123.08176	0.6
125.06109	0.8
125.09751	2.6
127.07698	1.5
135.08188	1.7
136.49257	0.4
137.09642	0.4
141.09224	0.6
145.05095	0.9
153.09238	7.0
161.04601	1.4
163.11293	5.1
165.12865	2.6
171.10281	15.8
172.10625	0.4
178.10014	1.4
179.05672	0.6
181.12369	1.0
185.11859	2.5
190.44157	0.4
191.10849	2.5
191.14444	0.5
197.11852	4.2
199.13396	0.6
201.11273	0.8
207.10295	3.0
209.11850	100.0
210.12149	2.5
211.13391	1.8
223.13448	0.5
225.11430	1.6
227.12907	12.7
235.08223	3.4
238.12099	0.6
239.12958	0.6
245.19061	1.6
253.09294	10.1
263.20078	0.9
277.17609	0.5
289.18155	6.6
291.19583	0.8
297.20627	0.6
307.19177	32.0
308.19516	1.7
309.20673	1.2
325.20209	17.2
326.20526	0.7
327.22031	2.3
345.20929	0.6
363.21771	0.8
445.20599	1.1
525.26990	1.8
543.28149	7.9
544.28864	0.4
561.29254	1.8
629.33038	0.5
654.98285	0.5
666.33063	0.9
684.33441	1.8
735.39648	3.3
743.44189	0.5
753.40881	4.6
754.41174	0.6
771.41766	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	771.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03441	0.9
59.01384	5.7
61.98827	0.5
69.03462	0.4
71.01020	0.4
71.01388	4.2
71.05026	0.6
73.02942	1.2
74.39069	0.2
80.02687	1.4
81.03465	1.3
83.01374	0.8
83.04579	0.5
83.05035	5.9
84.02164	1.1
85.02950	1.3
87.00884	0.7
89.02451	2.4
95.01386	0.7
95.05051	1.4
97.02934	0.5
97.06586	1.1
98.40453	0.2
99.00886	0.6
99.04500	0.5
99.08184	0.4
100.01241	0.2
101.02449	3.4
109.02956	0.4
109.06565	0.8
110.03792	0.4
113.02452	2.1
115.07693	0.8
119.03537	0.6
121.03008	0.3
123.04556	0.5
123.08184	0.7
125.06084	1.0
125.09711	2.0
127.07689	1.3
127.11275	0.3
135.08168	1.8
137.09767	0.3
139.07643	0.7
141.09192	0.4
143.09674	0.2
145.05096	0.8
151.11324	0.3
151.41646	0.3
153.09225	6.7
155.10806	0.7
157.70634	0.3
161.04649	1.3
163.11287	4.9
164.11810	0.3
165.12865	3.3
167.10712	0.3
171.10278	13.2
178.09944	0.9
179.05588	0.5
181.12363	1.0
185.11813	3.0
191.10797	2.4
191.14485	0.3
193.12288	0.6
195.87074	0.3
197.11853	2.8
207.10239	1.0
209.11842	100.0
210.12172	3.3
211.13393	0.4
219.13899	0.4
221.11884	0.6
225.11281	0.6
227.12910	11.9
228.13176	0.4
235.08244	3.2
235.13271	0.3
236.10641	0.3
237.11525	0.3
238.12025	0.5
245.19221	1.3
251.16502	0.4
253.09305	7.7
263.16537	0.3
263.20023	0.4
279.19650	0.7
289.18106	5.6
297.20786	0.8
307.19162	27.0
308.19498	1.4
309.20493	0.3
325.16302	0.6
325.20187	9.8
326.20532	0.4
327.21964	0.3
345.20758	1.1
363.21704	0.6
407.19403	0.6
445.20737	1.2
456.20578	0.3
525.27209	1.9
543.28192	4.3
544.28845	0.4
561.29279	1.1
562.30811	0.3
599.30011	0.4
666.32605	0.8
684.33783	1.2
735.39612	3.1
736.40515	0.4
753.40582	5.1
754.41333	0.4
771.41528	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03447	2.7
58.00591	1.4
58.76228	1.2
59.01379	15.1
61.98831	11.2
67.54267	1.2
69.03482	1.6
71.01387	77.1
73.02949	5.5
80.02670	1.7
81.03488	1.6
82.95392	1.2
83.01379	1.7
83.05023	5.6
85.02952	2.6
87.00891	4.4
89.02441	4.5
93.39216	1.2
95.01366	2.4
95.05036	2.2
97.02945	2.2
97.06563	2.0
99.00876	3.5
101.02449	7.9
106.05225	1.5
109.06581	5.7
111.08153	1.4
113.02444	4.1
113.47247	1.4
122.97005	1.4
125.06069	1.8
125.09731	7.6
127.07614	1.9
127.11271	4.1
135.08165	2.3
139.07715	1.6
143.03508	1.5
153.09210	4.2
155.10745	3.6
161.04565	3.9
163.11365	9.5
165.09189	1.8
165.12871	4.3
171.10281	63.0
172.10593	1.7
179.05539	2.2
181.12370	7.0
183.10345	1.6
185.11841	5.9
191.10831	2.1
197.11809	5.2
199.13441	3.7
201.11330	32.1
207.10243	17.7
209.11844	100.0
210.12169	5.1
215.12825	1.8
225.11305	23.4
227.12900	21.1
229.14375	3.5
235.08226	7.2
243.12439	2.7
245.19142	1.9
247.20412	1.7
253.09293	15.5
263.20175	1.7
289.18161	6.2
291.19684	34.8
292.19940	1.9
305.17587	2.0
307.19147	20.3
309.20737	41.6
310.21140	2.6
315.34268	1.4
325.20145	5.8
414.76257	1.5
461.20251	3.7
463.21667	1.5
508.86392	1.5
543.28375	3.7
679.92773	1.6
735.39880	3.0
738.26843	1.7
753.40540	4.9
771.41461	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	772.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.31585	0.3
67.38488	0.3
75.84558	0.3
76.16166	0.3
78.95919	1.5
96.36134	0.4
99.61656	0.3
114.26340	0.4
129.92107	0.3
139.37605	0.3
140.27556	0.3
152.99591	0.5
159.28647	0.3
209.11835	0.3
216.35274	0.4
277.22150	0.3
278.21298	0.3
355.77966	0.3
626.52289	0.4
777.04285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.45
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
74.05303	0.3
78.95918	1.2
95.22330	0.4
97.86887	0.3
112.75742	0.3
113.90392	0.4
209.93391	0.3
220.12010	0.3
239.85370	0.3
474.86978	0.4
772.43073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79177	0.2
59.01378	0.7
61.98833	12.0
65.80255	0.2
71.01385	0.9
78.95908	4.1
79.95741	3.0
83.01384	0.3
90.97145	0.3
94.92528	0.4
94.98123	0.4
96.00944	0.2
96.92210	0.7
96.96018	100.0
96.96901	3.7
97.02956	0.2
106.61437	0.2
118.96619	0.6
137.23775	0.2
140.98712	0.2
144.98242	0.4
156.98203	0.3
171.10258	0.3
177.91145	0.2
182.99783	0.4
189.39287	0.3
195.69011	0.3
259.01370	0.3
277.02319	0.2
277.21655	1.0
291.03891	0.3
301.02515	0.3
361.04367	0.7
375.18463	0.3
397.13489	1.0
407.17404	1.3
415.14606	0.4
435.08289	1.9
453.09421	3.4
593.26355	0.4
704.04095	0.2
713.30640	3.7
714.31299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	70.8
61.98837	44.4
65.41642	5.4
71.01390	63.1
72.99318	18.2
73.02952	18.9
75.00885	77.5
79.95785	7.5
82.95443	10.5
83.01376	9.7
84.95114	6.4
85.02975	25.1
89.02455	28.6
90.78294	4.9
96.96065	6.7
99.72130	6.2
100.42971	6.1
101.02447	30.6
113.02462	17.3
116.92936	10.0
119.03528	9.2
125.02469	6.2
129.00343	5.3
161.04637	9.7
163.11372	5.7
165.44756	6.1
209.11874	100.0
219.23242	5.7
225.11118	6.2
225.59743	4.7
227.12921	20.3
238.93732	6.0
245.84334	5.0
445.20578	8.2
611.41956	28.5
773.48047	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.0
61.98837	100.0
72.19679	5.2
78.95912	29.1
82.95914	4.9
88.77512	5.0
88.98792	9.3
109.06581	5.8
152.99593	14.4
163.11246	6.3
171.10327	7.0
183.16162	5.9
205.78409	5.4
207.10303	26.1
209.11891	9.9
225.11314	15.3
239.17601	5.0
253.09219	11.9
255.57941	4.7
293.21216	30.4
294.05930	5.0
311.22177	6.0
395.13391	5.0
461.20215	12.1
681.99921	6.1
737.41077	16.9
773.40936	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	773.3973
Annotation	Unguisin C
Peak:m/z	Relative Intensity
54.17520	1.9
54.22065	1.9
57.03439	3.8
57.44110	1.8
59.01383	20.2
61.98840	9.5
69.03465	4.5
70.89324	3.0
71.01388	14.6
73.02953	2.7
75.00864	3.9
83.05024	3.4
85.02977	3.9
87.00874	4.4
89.02432	5.3
90.29608	2.1
101.02444	6.9
113.02427	5.0
123.13971	2.1
125.09705	6.5
127.07645	2.4
136.69798	2.2
139.11353	4.6
153.09219	3.3
155.10741	2.9
161.04558	2.9
163.11279	3.6
167.10765	3.6
171.10172	9.3
185.11836	98.0
186.12097	2.2
197.11845	12.0
207.10248	4.4
209.11852	28.5
212.37476	2.0
225.11375	4.9
227.12947	2.6
229.10814	4.5
244.24318	2.2
253.09286	6.6
289.18079	3.8
307.19171	12.3
325.20258	3.6
755.39362	6.5
773.39581	100.0
774.40002	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	774.9948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	65.1
59.61880	0.5
60.62632	0.5
61.42097	0.5
69.28903	2.7
83.53809	0.5
90.97162	0.5
115.02493	1.8
117.00453	2.2
132.98195	3.4
154.53271	0.5
159.01508	21.1
160.01639	1.0
174.99252	35.2
201.02548	6.1
217.00302	100.0
218.00656	2.0
222.81189	0.5
232.98230	1.1
248.95970	0.8
274.99277	2.6
290.97159	4.2
301.02649	4.5
317.00406	24.2
318.00620	1.3
332.98154	16.3
333.98511	0.7
348.96210	1.4
359.01358	3.6
374.99228	19.9
390.97205	1.4
432.98257	0.9
448.95975	0.7
459.01761	1.7
474.99365	12.4
475.99329	0.8
490.97052	5.0
506.94943	0.6
514.97321	0.7
532.98389	3.2
548.96014	0.8
556.98419	13.7
557.98407	1.2
570.98615	1.5
572.96112	10.2
574.19922	0.6
584.16833	0.7
617.00513	0.9
632.98145	7.1
633.99304	0.6
714.97491	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	775.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	4.7
59.84924	1.0
61.98834	48.8
64.83896	1.0
69.42284	4.4
71.01363	2.1
72.99312	1.0
73.02955	1.0
85.02940	1.5
88.98805	5.8
89.02457	1.9
93.03461	3.5
95.01366	1.0
95.05037	1.0
96.96022	2.0
98.22577	2.3
101.02467	1.5
109.02299	0.9
109.02941	6.1
111.00881	3.0
113.08300	1.0
121.02972	7.8
122.03757	13.9
123.00889	1.6
123.04530	1.8
124.01673	1.1
131.05008	1.1
132.02170	1.2
133.02908	2.5
133.21962	1.0
134.03763	1.6
135.04561	1.4
136.01608	1.5
137.02454	15.1
139.03981	1.7
147.04523	1.5
149.02464	20.9
149.06055	1.4
150.03235	100.0
151.00389	11.1
151.04042	5.3
152.01146	1.4
152.04829	5.9
153.01938	1.2
160.01674	2.1
161.02380	1.0
163.04039	1.7
164.04787	7.2
165.05580	96.3
166.02711	30.4
166.05829	1.8
167.03427	3.4
173.80701	1.1
175.04002	4.1
176.90079	1.1
177.01926	2.5
177.05583	3.3
178.02792	1.2
179.03444	2.1
179.07141	1.2
180.04254	5.4
181.05077	41.1
187.04051	3.9
190.06366	1.4
191.03569	1.6
192.04332	1.6
193.05026	3.8
195.06633	59.2
205.05090	8.6
206.05861	1.9
219.06628	1.2
220.07303	5.4
221.08101	1.2
282.05136	1.9
283.02469	1.6
315.08884	1.4
329.10284	2.7
363.16251	1.0
371.11136	1.1
372.12027	2.2
385.13016	1.1
386.13846	1.2
387.09906	4.8
387.14957	8.9
402.13168	4.2
403.13919	2.0
415.13797	1.4
416.14777	2.8
417.15588	55.5
418.16003	1.8
428.44699	1.1
474.91354	1.0
475.15952	2.0
523.85907	1.0
535.17310	2.1
550.18665	2.2
565.20801	63.2
566.21045	5.5
583.21606	1.4
595.21558	1.5
613.22931	41.1
614.23438	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	775.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82829	1.1
59.01381	6.6
61.33412	1.0
61.98832	16.1
69.27653	5.8
71.01389	3.7
73.02933	1.3
85.02950	1.5
88.98808	3.7
89.02467	2.5
93.03453	1.5
96.96019	20.1
101.02466	2.2
106.06671	1.1
109.02961	3.3
111.00881	4.4
119.04990	1.3
121.02987	7.7
122.03774	5.5
123.00823	1.1
128.26070	0.9
133.02957	1.4
135.04567	5.1
136.01678	21.7
137.02461	18.0
147.04549	1.1
149.02460	5.4
150.03229	24.3
151.00423	6.5
151.04008	25.9
151.05247	1.4
159.04491	1.0
160.05226	1.3
162.03326	1.2
163.03990	3.6
164.01160	2.2
164.04855	2.1
165.01939	89.3
165.05579	23.2
166.02716	19.5
167.03456	4.0
175.04028	6.5
177.01942	2.0
177.05530	1.9
179.03500	20.8
180.04297	56.4
181.05051	24.8
189.05608	1.8
190.06345	4.5
193.05042	1.5
194.05826	4.6
195.06635	100.0
196.06972	2.8
205.05008	1.7
205.08763	1.3
207.06618	1.9
210.05357	12.2
225.07692	72.0
226.07950	2.1
229.10736	1.1
255.03104	1.1
283.02664	1.5
285.03891	1.6
329.10953	1.8
345.09509	1.4
355.08411	1.4
356.12534	2.4
357.09741	4.7
357.13513	8.3
359.11322	1.4
372.12122	4.0
373.13040	2.1
386.13754	3.5
387.14499	53.8
388.14783	2.6
399.13910	1.3
417.15561	6.9
520.17896	2.2
535.20276	1.9
550.18591	2.7
565.20813	64.9
566.21130	5.6
583.22321	1.3
613.22919	34.7
614.22864	3.7
775.28241	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.8
59.01373	14.4
61.98836	43.9
66.46720	3.2
69.36339	14.1
70.99020	3.2
71.01394	7.3
82.52340	3.5
89.02451	4.0
101.02441	9.0
163.40428	3.0
171.10152	4.2
179.10834	8.7
181.12360	3.6
185.11836	4.0
197.11855	100.0
209.11823	5.4
212.18449	4.1
217.16058	10.3
253.09309	5.1
260.94022	3.3
309.20764	4.6
353.28656	3.5
354.75095	3.5
372.36227	3.8
443.41818	3.9
477.19870	5.7
739.35504	97.6
740.36121	14.8
775.32941	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	775.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.9
59.01388	13.5
60.98639	1.8
61.98838	58.4
71.01385	9.3
71.05019	2.9
72.74064	1.6
73.02934	1.9
76.08260	1.6
83.05053	2.0
85.02971	2.1
89.02469	3.3
94.54377	2.0
95.05042	8.0
97.02971	3.4
97.06605	12.9
101.02467	5.8
113.19817	1.9
120.45565	2.3
121.06541	2.4
123.08160	24.1
125.02459	2.5
125.09739	4.1
133.06636	4.1
135.04489	1.8
137.09802	2.6
151.07692	14.0
163.11200	4.4
169.08720	28.2
171.10272	3.9
181.12347	1.8
185.11789	6.3
191.14420	4.9
195.06647	2.5
196.13950	1.8
207.10283	5.5
209.11868	3.7
217.16054	2.3
223.13348	2.9
225.11400	5.2
245.19054	9.5
253.09276	5.4
289.18185	22.5
307.19241	9.7
310.21313	2.3
449.16647	3.3
739.35553	100.0
740.35925	16.5
775.32483	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	775.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.7
59.81118	3.0
60.56026	2.7
61.98838	36.1
63.62870	2.3
70.56570	2.7
71.01389	7.1
73.02969	4.1
73.15894	2.5
78.95896	2.8
89.02455	4.2
96.96024	6.4
97.06616	7.8
98.21970	3.5
101.02459	6.6
125.09804	2.9
151.11313	17.7
169.12366	68.4
188.94220	3.0
191.32455	2.4
209.11842	22.3
213.11340	9.8
227.12932	3.7
245.19118	8.3
245.58424	2.4
253.09233	6.4
289.18182	15.5
293.21213	15.9
307.19217	7.0
431.19321	3.6
443.18948	2.8
445.20731	3.7
449.20142	7.4
488.82288	3.1
584.39630	2.8
594.83954	3.1
739.39093	100.0
740.39038	5.3
775.40808	9.3
779.88971	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
78.95914	21.5
85.32652	6.4
93.11939	6.9
101.42074	5.9
110.83740	6.9
117.37196	6.8
118.62617	7.2
123.97175	6.2
139.55536	6.4
142.49495	6.3
169.12383	23.3
171.10303	19.8
209.11830	83.0
213.11438	7.4
227.12914	15.5
229.26193	8.6
253.09314	27.8
255.46822	8.4
275.20270	8.7
289.18079	17.5
293.21216	75.7
339.57736	8.7
377.93121	7.3
447.20691	7.3
472.90680	7.1
739.39294	32.0
739.63593	7.7
775.41028	46.0
776.42847	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	57.0
71.52006	10.8
75.85728	9.7
78.95911	12.0
79.46835	10.2
79.89626	10.2
80.17643	10.1
80.91712	15.5
85.00449	49.5
110.21419	10.1
143.70168	11.3
199.09773	16.5
207.10318	28.5
225.11371	34.8
253.09422	22.7
269.95740	9.7
277.21695	100.0
659.26068	10.6
695.39844	15.5
721.41949	24.0
775.39679	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	775.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	22.0
61.98837	77.2
71.01384	12.6
120.68468	10.2
124.20264	9.9
171.10226	25.5
171.46959	9.3
181.36276	10.8
199.09830	14.2
207.10301	26.7
225.11345	51.1
249.18607	35.4
253.09363	15.4
277.21674	100.0
289.18063	20.6
307.19147	29.4
343.06024	10.5
391.37817	10.8
455.45065	10.1
461.19989	11.8
615.02240	10.5
695.40216	34.5
721.41931	33.9
722.43085	12.9
775.47357	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	775.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	10.4
59.01386	100.0
61.98830	20.6
70.39813	9.5
70.40134	6.8
71.01390	19.5
73.02975	11.9
75.00900	5.6
81.03480	5.7
83.05038	25.2
84.17195	5.8
85.00429	12.8
85.02942	11.1
86.96635	6.0
89.02451	10.4
97.30475	5.2
101.02468	12.9
103.01506	25.6
123.74571	5.5
124.34595	5.5
125.04948	5.7
125.09725	7.9
141.09187	6.4
143.07172	10.7
153.09236	18.9
161.28036	5.3
163.42392	5.6
169.12378	43.8
171.10280	82.9
181.08701	53.2
185.11821	8.7
197.11891	14.2
199.09694	13.0
209.11847	87.7
210.12204	11.4
227.12921	6.5
235.08266	11.0
253.09297	25.7
270.67773	6.6
279.16098	7.8
289.18069	18.7
307.19171	66.0
325.20209	33.5
370.38229	6.4
436.95615	7.6
543.28046	21.8
569.49744	6.6
604.66766	6.3
667.36481	6.9
775.41278	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	88.3
61.98832	100.0
69.15228	70.3
71.01383	36.4
71.76399	12.8
75.00878	15.0
101.02456	12.4
114.99939	16.8
209.11858	26.6
216.20465	15.3
271.02585	42.8
283.02411	19.9
299.01932	67.8
315.70901	16.8
317.12445	13.4
418.47360	13.7
499.05908	16.1
530.10956	40.1
595.39215	17.4
775.44159	31.1
777.18927	22.3
801.95526	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	776.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	41.1
61.98840	100.0
67.16680	13.0
71.01398	27.6
96.96029	25.9
103.01532	20.2
149.69804	12.4
153.09291	13.3
153.36777	12.2
171.10272	17.0
191.47557	12.4
203.21248	12.6
209.11858	29.1
253.09155	14.0
334.02954	13.7
517.68262	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	776.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36430	0.2
59.01379	0.4
59.18775	0.2
61.98835	100.0
78.63060	0.2
117.01816	0.3
120.29348	0.2
151.40031	0.2
171.10405	0.4
209.11880	0.6
213.14409	0.2
372.11038	0.3
538.35687	0.3
681.17529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
59.85614	0.3
63.02416	0.8
65.00316	0.7
69.93413	0.3
74.52517	0.3
79.24283	0.3
83.01434	0.4
83.51637	0.3
93.03493	0.7
93.46165	0.3
107.01453	1.6
117.03474	2.0
141.03481	0.5
151.00412	2.0
155.05026	1.1
159.04504	1.3
167.05038	0.6
168.03909	0.3
171.04471	0.6
173.06110	0.3
182.03697	0.8
183.04536	6.7
185.02461	1.0
187.04053	0.3
189.38164	0.3
199.03969	0.5
211.04033	4.3
215.03508	0.4
226.02742	0.6
227.03487	4.7
255.03003	62.6
256.03384	2.3
265.68842	0.3
268.03696	0.3
283.02496	100.0
284.02991	5.7
285.04050	3.8
296.03018	0.5
445.07755	1.4
446.08563	45.6
447.08826	3.1
453.08502	0.7
482.07660	0.4
555.11456	0.6
615.13623	5.7
616.14075	0.7
675.15839	0.5
710.62506	0.4
717.17004	0.8
735.18146	0.8
777.18854	21.4
778.19049	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	777.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97054	0.2
59.01387	1.7
61.98835	0.4
63.02423	0.4
63.39570	0.2
65.00350	0.6
83.01389	0.4
89.02462	0.2
92.99920	0.2
93.03490	0.6
106.90205	0.1
107.01402	1.1
113.34215	0.1
117.03479	1.4
133.02988	0.2
135.00867	0.3
141.03488	0.3
151.00383	1.9
155.05075	0.8
159.04517	0.7
167.05054	0.3
167.10670	0.2
171.04518	0.7
171.10268	0.3
173.06081	0.2
175.00497	0.2
182.03748	0.4
183.04538	5.2
183.20264	0.2
184.04779	0.2
185.02438	0.7
187.03970	0.4
199.03998	0.3
201.11180	0.2
209.11884	0.3
210.03169	0.2
210.12251	0.2
211.04007	3.5
213.05583	0.2
215.03535	0.2
225.11327	0.1
226.02731	0.3
227.03546	4.4
239.03514	0.4
240.04179	0.2
255.03006	52.0
256.03403	2.1
268.03745	0.2
282.01617	0.3
283.02502	100.0
284.02957	6.0
285.04062	4.4
296.03241	0.3
297.04019	0.3
445.07956	0.7
446.08569	30.3
447.09021	1.9
471.09894	0.2
488.09598	0.7
501.65625	0.2
513.10309	0.2
549.96906	0.2
555.11664	0.4
573.12720	1.0
573.20593	0.2
615.03870	0.4
615.13666	5.7
616.13879	0.5
657.15283	0.2
675.15942	0.3
717.16742	0.4
735.17932	0.7
777.18903	23.7
778.19330	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	777.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82022	0.6
59.01384	3.7
60.37773	0.6
61.98826	1.9
63.02419	1.5
65.00344	1.9
69.09581	3.6
72.58322	0.5
82.34743	0.5
82.92674	0.6
83.01395	1.8
84.07857	0.5
85.02958	0.6
93.03471	0.7
107.01407	2.4
110.97123	0.6
116.92855	1.0
117.03502	1.2
123.15999	0.5
132.02177	1.1
149.99611	0.9
151.00388	8.0
163.00406	0.9
164.01173	1.2
169.01418	0.8
171.04488	0.6
171.10321	1.0
176.61119	0.6
183.04515	6.1
185.02420	1.0
199.03894	0.6
209.11873	0.8
211.04019	5.4
224.04810	0.7
227.03584	5.6
228.04048	1.0
239.03444	0.7
254.02255	0.7
255.03003	64.1
256.03485	3.9
257.04526	0.7
268.03699	0.7
281.04895	0.8
283.02502	100.0
284.03244	38.9
285.04034	12.1
297.03815	1.0
446.08606	14.3
447.09344	14.9
448.09641	1.0
453.08231	1.0
455.88739	0.7
471.09213	1.6
513.10590	1.8
573.12762	3.3
615.13507	16.9
616.14056	1.8
633.14764	4.4
675.15686	1.7
777.18896	50.6
778.19055	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	777.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
61.98836	2.4
63.02396	0.7
65.00346	0.8
69.19195	2.7
71.01384	0.8
72.99315	0.5
78.72232	0.5
83.01432	0.6
102.51320	0.5
107.01414	1.2
109.02968	1.6
133.02940	1.4
135.00818	0.6
151.00415	4.2
171.04523	2.1
175.04051	1.5
183.04526	0.7
187.04111	1.2
193.01222	0.6
198.03267	0.7
199.03989	6.9
201.02002	1.4
209.11874	0.6
213.01740	0.6
214.02666	0.7
215.03493	3.2
226.02754	1.6
227.03429	4.0
241.01439	0.7
242.02280	1.2
243.02956	5.8
254.02090	1.0
255.02953	2.3
271.02493	73.0
272.02771	3.6
282.01691	0.6
283.02432	0.8
299.01978	100.0
300.02539	9.4
301.03510	8.4
423.09381	0.9
543.11273	0.6
544.12482	0.6
571.11041	2.0
572.11731	43.4
573.12512	18.0
573.19672	0.5
574.12677	1.1
717.16681	1.5
777.18939	31.4
778.19135	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	777.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
60.54742	0.3
61.98810	0.4
63.02409	1.2
65.00336	1.6
69.15904	1.8
71.75858	0.3
74.08910	0.3
79.57641	0.3
83.01392	1.2
89.00338	0.4
89.02426	0.5
93.03461	0.8
98.21949	0.7
103.01488	1.1
107.01379	2.4
117.03473	1.5
126.37770	0.3
132.02124	0.4
133.02940	0.5
141.03500	0.5
148.98648	0.3
149.99579	0.6
151.00374	5.2
152.74979	0.3
155.05057	0.7
159.04510	1.2
163.00304	0.3
164.01175	0.8
167.05032	0.4
169.01477	0.5
171.04498	0.9
171.10286	0.7
176.24947	0.3
182.03760	1.1
183.04536	6.0
185.02461	0.7
187.04097	0.8
199.04027	1.0
203.36034	0.4
210.03224	0.7
211.04013	5.1
213.01929	0.5
226.02731	0.9
227.03534	4.7
228.04134	0.5
232.14471	0.3
235.69601	0.3
239.03493	1.2
240.04053	0.4
241.05013	0.5
245.73993	0.4
254.02141	0.6
255.02994	63.9
256.03436	3.7
264.04141	0.3
267.02975	0.6
268.03690	1.5
269.04614	0.8
271.02493	0.4
279.03036	0.5
281.04532	0.8
282.01703	0.5
283.02493	100.0
284.03192	23.1
285.03973	4.8
292.03271	0.4
293.04581	0.6
296.03299	0.6
297.04050	1.0
299.02060	0.9
320.03214	0.6
321.04144	0.8
325.03815	0.4
338.46167	0.4
376.31964	0.3
389.39011	0.4
411.07349	0.9
412.71371	0.4
433.42426	0.3
446.08585	10.8
446.14731	0.7
447.09259	4.9
452.07428	0.4
453.08301	5.4
471.09268	0.5
495.09399	1.2
513.10565	2.0
555.11340	0.9
573.12054	0.8
615.13562	19.0
616.13947	1.4
633.14252	1.6
634.69348	0.4
657.14288	0.7
675.15491	2.3
676.16064	0.5
777.18878	42.9
778.19238	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	777.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.2
61.98824	6.9
69.07336	9.2
71.01387	8.9
73.02906	2.2
80.05043	1.6
83.01382	1.8
85.02949	4.8
87.00874	2.7
88.98805	1.9
89.02441	4.9
93.03490	1.9
96.96026	11.4
98.95564	1.6
101.02452	5.5
104.43852	1.3
106.06640	30.3
108.04564	5.5
108.08200	2.9
109.02947	1.7
113.02396	3.3
115.55962	1.4
116.92868	2.1
119.03560	1.7
121.02950	1.9
124.07727	2.4
132.04547	5.1
132.08159	2.9
134.06154	9.6
134.09821	2.4
135.04526	1.6
137.02438	5.6
149.06097	1.4
150.05621	9.2
152.07150	7.8
160.01874	2.4
160.04056	62.7
161.02348	1.9
161.04706	4.3
162.05696	10.6
163.97386	1.5
165.01944	34.3
165.05562	1.9
166.02376	2.2
169.52516	1.4
173.04735	1.5
174.05605	3.4
175.04008	4.7
176.07138	7.0
177.01942	2.2
179.03474	7.2
179.05608	1.4
180.04303	15.8
181.04790	2.0
187.09769	2.5
195.06654	19.6
196.06490	2.2
200.09648	2.1
210.05472	4.5
211.08751	4.6
212.07135	4.8
213.07904	2.0
213.10423	1.9
215.11880	17.2
219.81680	1.4
225.07784	7.5
225.09918	1.7
226.11246	2.0
227.03537	1.6
227.11948	13.7
229.13547	8.6
237.06667	1.9
239.08249	4.6
239.11893	8.3
240.10236	5.6
241.09857	15.4
241.13376	1.8
242.10292	2.7
252.09065	7.3
253.09856	13.6
254.10550	4.3
255.02956	3.3
256.12259	2.1
257.12961	27.8
265.09766	1.6
267.11398	25.1
268.11969	2.6
269.12927	21.4
277.09857	4.6
283.02414	5.8
285.04028	1.9
295.10962	14.3
311.10458	20.4
313.11975	86.3
314.12173	4.8
337.09607	1.4
339.09839	8.5
359.14984	1.9
376.16498	1.6
394.17685	5.4
399.13394	1.6
408.89822	1.5
489.10083	2.6
521.20172	6.3
533.20392	4.7
555.22430	25.6
556.22858	1.9
567.21991	2.3
571.63763	1.7
615.24408	2.2
622.21033	1.5
629.67261	1.5
688.11237	1.7
711.26294	3.2
729.27698	10.8
759.28638	18.2
777.29871	100.0
778.30023	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	777.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93206	0.7
57.03437	1.1
58.00595	1.3
59.01382	100.0
60.99286	0.7
61.98823	2.5
70.08147	0.9
70.08477	1.7
71.01386	54.2
72.99315	3.1
73.02955	1.6
77.13094	0.7
82.03525	0.7
82.95431	1.1
83.01374	2.4
85.02953	9.4
86.81120	0.7
87.00878	4.3
88.98782	1.8
89.02450	68.6
90.02780	0.8
93.03518	0.7
93.47449	0.7
95.01385	3.3
96.96056	0.9
99.34506	0.9
101.02449	30.4
109.02917	1.2
111.00897	8.9
113.02457	19.9
113.03246	1.2
119.03513	31.0
119.04964	1.6
121.02939	1.3
123.04585	0.9
131.03488	3.9
134.03867	1.0
137.02434	6.3
143.03523	5.5
149.04568	3.2
150.03233	1.2
151.47600	0.8
160.01665	2.2
160.04050	1.3
161.04561	4.0
163.03850	1.0
164.01157	0.9
165.01938	42.8
173.00777	0.9
175.04005	1.4
179.03497	13.9
179.05606	11.0
180.04303	24.2
194.05862	1.2
195.02904	1.3
195.06638	25.8
196.06976	1.1
210.05301	4.5
225.07683	30.1
228.06706	1.6
242.09389	1.9
257.11990	0.9
270.08939	1.6
272.05557	1.5
285.11331	1.2
298.08209	1.6
310.08316	0.9
313.10983	1.6
325.10614	0.8
326.07898	2.0
326.11520	1.0
341.10339	10.4
342.10837	1.5
356.12527	4.2
357.13385	1.0
371.15030	20.4
372.15503	1.2
464.70969	0.9
474.05032	0.8
519.16711	1.5
549.21271	11.9
583.99152	0.9
777.29535	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	777.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64095	1.1
59.01385	16.3
61.98837	7.7
71.01377	7.1
71.42086	1.2
72.14003	1.1
73.02943	1.9
80.05054	4.3
80.96516	1.5
85.02951	3.1
87.00878	4.0
89.02460	6.3
96.95998	3.7
101.02408	3.5
106.05946	2.2
106.06630	35.1
108.04546	7.9
108.08189	2.3
113.02422	2.8
116.92841	2.6
121.02910	2.8
122.06112	1.7
132.04552	4.7
132.08194	2.0
134.06143	13.5
134.09738	2.7
141.09177	1.2
149.04634	1.3
150.05632	10.5
152.07198	5.8
160.04048	57.4
161.04681	4.2
162.05611	9.0
165.05498	1.6
174.05568	4.8
176.07181	9.2
177.07558	1.3
178.05019	1.4
200.09491	2.4
210.05647	2.3
210.07828	1.4
211.08725	6.5
212.07152	4.9
213.07971	2.6
213.10266	4.1
214.11122	1.5
215.11893	19.9
224.09563	3.1
225.10355	1.3
227.11882	18.2
229.13542	9.1
237.06712	1.3
238.07173	1.3
239.08272	7.9
239.11909	8.0
240.10461	8.6
241.09851	20.7
242.10268	1.9
251.08138	2.8
252.09059	10.9
253.09818	15.8
254.10484	4.1
255.03044	10.0
255.11243	2.8
256.12140	4.7
257.12955	31.3
258.13120	1.6
267.08655	2.3
267.11371	26.5
268.11969	2.5
269.12967	23.6
270.13290	1.9
277.09763	5.4
283.02438	11.0
284.03036	2.3
285.03903	3.2
295.10876	19.2
296.11288	1.5
311.07184	1.4
311.10419	24.1
312.10635	1.9
313.11963	100.0
314.12286	7.1
339.09811	12.6
348.17319	1.5
355.09360	2.5
376.16260	1.7
394.17545	5.1
395.17920	1.3
435.17917	1.8
436.18732	2.3
481.18042	2.6
488.09442	2.0
514.93719	1.3
555.22528	36.6
556.22589	3.8
597.23242	1.8
598.23804	2.1
616.25671	1.9
758.48114	1.4
759.28912	21.0
760.28705	3.4
777.29712	98.1
778.30139	17.3
794.72443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.3
59.01388	29.9
61.98837	33.6
67.01894	2.1
69.02895	9.4
69.03297	4.7
71.01395	15.0
73.02935	2.7
75.00863	2.2
80.05052	2.0
85.02962	6.0
87.00915	3.5
88.98766	4.4
89.02473	9.5
93.03454	2.3
94.52586	2.1
96.96018	10.3
98.21785	4.4
101.02472	6.7
106.06630	37.2
108.04562	6.5
108.08910	2.2
111.00887	3.4
113.02477	3.9
116.92844	3.3
117.03358	3.0
119.71477	2.4
121.02975	2.5
122.06113	2.4
122.93337	2.2
124.07706	2.3
128.90170	5.0
131.12444	2.2
132.04529	4.9
134.06131	10.1
150.05600	6.3
151.00435	3.9
152.07202	5.4
160.04053	51.3
160.07648	2.4
161.04770	3.3
162.05669	10.7
165.01947	2.5
174.05655	4.1
175.04074	5.5
176.07173	5.3
177.01982	2.5
182.60063	2.2
183.04512	5.2
210.05579	2.2
211.03983	3.4
211.08775	6.9
212.07202	2.7
213.08049	2.9
215.11874	14.5
227.03511	8.7
227.11929	16.6
229.13501	7.0
239.08289	5.9
239.11929	7.3
240.10352	6.4
241.09805	13.6
252.09070	9.7
253.09857	14.1
254.10504	3.6
255.03035	51.5
256.03488	5.3
256.12402	3.8
257.12961	27.5
267.11401	21.2
269.12982	22.2
277.09735	4.3
281.90851	2.6
282.86139	2.4
283.02515	100.0
284.03046	17.4
285.04132	23.8
286.04431	2.7
295.10999	11.7
299.01956	3.1
311.10431	15.6
313.11984	82.4
314.12317	6.6
327.12396	2.5
339.09933	11.1
346.22882	2.2
394.17661	3.6
405.16858	3.4
446.08954	3.0
488.09677	21.9
489.10239	7.5
501.10382	5.8
555.22620	24.1
573.12457	7.0
598.23895	3.7
663.15900	6.9
759.29022	19.8
760.29565	3.1
777.18329	18.1
777.29956	70.3
778.18481	6.6
778.30481	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	777.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93235	8.5
56.72199	9.5
59.01376	35.3
61.98832	34.5
69.77395	31.7
71.01391	16.6
83.05040	14.6
89.02483	10.8
96.66872	10.3
97.02985	10.1
101.02431	13.5
117.07140	10.1
123.04491	10.0
135.08189	26.5
153.09158	11.7
171.10271	43.9
179.05872	8.7
179.07152	54.3
181.08728	32.4
185.11958	10.8
197.08203	39.5
197.11873	19.9
207.10355	19.2
209.11859	100.0
225.32834	8.4
235.08437	9.8
253.09297	36.7
305.17538	33.5
307.19135	66.7
308.94379	10.3
325.20258	41.0
401.44128	9.6
423.95160	11.3
432.78986	10.0
453.00955	9.6
473.62338	10.2
541.26849	19.8
543.27893	50.6
561.29181	16.9
595.89130	10.9
636.26825	8.9
654.29480	14.8
705.35046	38.2
723.36029	52.6
741.37097	52.9
777.34296	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	777.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	13.2
61.98832	100.0
66.62712	6.0
69.09275	13.7
69.09671	46.0
84.12176	7.0
92.17657	7.8
98.22598	18.7
101.02427	9.1
126.72918	5.9
171.10291	9.4
197.11853	91.3
199.57741	7.5
209.11810	25.5
235.08144	9.5
253.09521	7.0
289.18231	8.1
292.49438	8.1
307.19193	58.7
325.20120	24.4
433.20673	15.1
517.36279	7.4
525.26843	9.9
543.28119	22.8
602.66956	7.0
723.39233	30.8
724.39618	10.7
739.35712	15.2
741.38654	9.8
776.45618	7.3
777.38916	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	11.4
61.13721	8.5
61.98824	45.3
69.93186	20.4
69.93548	19.5
82.95422	64.8
99.92625	10.3
181.33144	11.1
201.11327	37.0
209.11839	87.5
223.13318	15.0
227.12892	13.3
227.37840	11.2
235.08173	15.7
253.09326	18.9
275.61240	10.5
277.21829	100.0
277.26178	11.6
293.21332	13.7
300.53217	11.5
572.12317	11.7
777.42517	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	777.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35825	0.9
54.51749	0.9
59.01382	5.3
61.98800	1.4
71.01373	3.6
89.02430	4.2
89.65986	0.9
101.02462	3.4
113.02471	1.2
148.79903	0.9
158.30757	0.9
161.04539	1.7
165.12852	2.2
179.05556	1.2
181.12352	2.4
193.12259	1.3
195.13901	2.1
197.11847	1.1
231.17499	1.3
247.20679	2.7
249.18593	56.9
250.18881	1.3
253.09230	8.7
273.18655	2.1
277.21686	5.5
281.17841	1.4
281.21115	1.5
291.19662	32.4
309.20721	100.0
310.20779	2.4
527.28516	4.0
545.29712	21.8
551.01959	1.3
777.47894	3.8
783.26984	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.5
61.98825	1.3
65.38695	0.9
67.25503	0.9
71.01387	5.7
79.08279	0.9
81.03476	1.1
83.01397	1.4
85.02959	1.3
89.02459	4.0
97.02958	1.8
98.03789	1.0
101.02424	4.6
110.18388	1.0
111.59679	0.9
113.02439	2.2
115.42596	0.9
119.03468	0.9
125.09738	1.4
161.04642	2.0
163.11292	3.9
165.12857	8.6
179.14424	1.7
181.12343	3.9
193.15973	1.8
198.19260	1.0
209.11821	2.2
223.13344	4.7
235.08217	1.6
247.20708	9.3
249.18617	96.4
250.18900	3.2
253.09317	17.1
273.18604	3.9
291.19699	98.8
292.19919	4.4
309.20743	100.0
310.21085	2.9
346.74731	1.0
511.68121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98834	100.0
67.23736	0.2
78.52097	0.2
84.75753	0.3
88.64665	0.2
91.40894	0.3
99.00886	0.6
101.02423	0.3
104.65738	0.3
181.12366	0.4
199.13438	0.3
207.10326	0.6
209.11967	0.5
225.11389	0.9
226.11652	0.3
254.82739	0.3
264.53021	0.3
296.08215	0.3
371.84827	0.3
741.38055	0.7
742.37549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.6
60.99304	13.3
61.98838	16.7
71.01379	3.9
71.45165	2.0
73.02937	2.1
78.91886	3.1
80.91687	1.9
83.05024	4.7
85.02950	4.6
87.00875	2.2
88.98809	69.9
89.02450	8.3
101.02453	4.4
109.06589	1.9
111.00923	4.5
113.02459	3.8
129.01920	2.7
143.07118	4.9
153.09177	2.2
163.11148	2.6
171.10310	4.1
181.08694	5.9
209.11832	100.0
210.12195	4.4
217.16005	2.1
219.09999	2.8
227.12866	23.1
235.08253	7.2
253.09293	13.8
253.11531	2.4
261.14917	7.3
263.08786	1.6
279.16016	26.7
283.02451	1.8
297.17047	15.6
445.20676	6.9
454.72635	1.7
462.01086	1.8
496.71857	1.7
497.24072	3.1
515.24841	5.6
656.30145	1.8
707.36774	5.6
725.37714	12.2
743.39569	5.1
779.36005	27.8
780.36523	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	779.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.6
60.92682	2.0
61.98830	14.7
69.64610	4.8
71.01390	24.1
72.01588	1.8
73.02940	2.3
80.87593	1.9
81.03474	3.8
87.00886	2.1
89.02454	3.5
95.05058	4.1
97.06590	2.9
99.00891	4.2
101.02452	5.1
109.06609	2.5
113.02428	3.9
117.07147	4.0
123.04558	4.7
125.09731	2.2
133.06616	8.4
135.08185	28.2
153.05574	5.4
153.09229	4.8
161.04558	3.2
161.05983	2.4
163.11342	4.6
165.12862	3.9
171.10281	6.6
179.05641	4.2
179.07137	39.7
181.08714	6.9
183.10306	5.4
185.11818	2.1
197.08209	15.4
207.10272	6.6
209.11865	10.1
225.11328	5.1
247.20685	6.8
253.09361	22.1
263.16492	2.2
291.19681	72.3
292.20068	3.2
305.17566	5.6
307.18991	3.8
309.20743	100.0
310.21085	6.7
433.17197	2.5
655.46405	2.4
725.37378	5.7
726.38263	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	779.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	0.8
61.98846	1.8
75.00875	1.3
88.98748	0.2
102.95672	0.6
103.00384	3.3
103.01506	62.6
117.46559	0.3
127.76868	0.2
141.47615	0.2
378.69794	0.3
394.35938	0.3
397.12878	0.3
783.18079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
60.43478	0.1
61.98836	100.0
71.01402	0.7
77.33376	0.1
83.01418	0.2
85.00456	0.2
85.02998	0.2
87.00880	0.2
88.98843	0.2
89.02470	0.3
90.51585	0.2
96.96027	0.2
101.02461	0.2
113.02470	0.2
116.92890	0.2
118.83794	0.1
134.40471	0.2
171.10330	0.2
183.04565	0.4
209.11963	0.2
227.03622	0.4
255.03023	4.3
283.02512	9.9
284.03235	0.8
285.04062	2.7
315.08389	0.1
369.62491	0.1
423.20126	0.2
489.10953	0.2
513.11304	0.2
514.11237	1.9
515.12054	1.7
556.70819	0.2
719.18390	5.8
720.19269	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
61.98835	100.0
67.96255	0.2
71.01380	0.4
75.00862	0.3
82.95393	0.2
85.02988	0.3
87.00903	0.3
89.02460	0.3
93.03482	0.3
101.02464	0.4
113.02501	0.5
120.89526	0.2
124.43384	0.2
150.79396	0.2
151.00418	0.3
154.30334	0.2
170.09688	0.2
179.44823	0.2
183.04581	0.4
211.04065	0.3
227.03612	0.6
255.02989	5.0
283.02487	9.8
284.03235	0.9
285.04050	2.0
408.71790	0.2
489.11035	0.4
514.11090	1.7
515.11896	1.9
516.12494	0.2
617.37811	0.3
650.35815	0.2
660.39178	0.3
688.15717	0.3
719.18469	5.5
720.19086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
63.39451	0.3
69.50744	1.7
70.03011	0.8
72.04552	4.4
79.02061	0.4
82.02994	79.8
83.03318	1.1
91.05537	5.5
93.03446	0.6
98.02487	7.8
100.04059	42.7
101.04361	0.4
124.24860	0.4
134.35983	0.3
135.04526	0.5
146.04543	0.3
176.10797	0.8
186.03899	0.4
191.05658	0.6
193.05164	0.6
202.08765	16.0
203.09184	0.6
227.03525	0.9
248.09311	100.0
249.09645	3.9
255.03036	1.3
264.08759	0.4
283.02493	1.1
284.03336	1.4
285.03964	1.8
489.10095	1.6
592.79169	0.4
621.14709	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	782.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03481	1.2
69.11826	2.0
71.02499	1.4
80.05058	0.6
82.06638	3.9
84.08178	0.9
87.05659	6.1
88.04044	0.8
91.05518	0.4
94.06613	0.6
95.02529	0.6
96.08201	0.7
97.04063	1.2
98.02483	1.2
110.03615	0.9
111.01994	0.7
111.05659	0.4
112.07674	2.4
113.03580	1.2
118.06638	1.3
121.04077	2.7
122.04875	0.7
123.09200	0.4
123.23306	0.4
125.05862	0.4
127.08750	1.3
129.10355	24.6
130.08772	3.4
131.04955	0.5
138.08070	0.4
139.08781	5.1
140.07196	4.8
140.10796	0.5
146.06128	2.8
151.08774	1.2
153.10324	2.2
155.08295	6.2
155.11893	2.0
161.36584	0.4
163.08754	0.6
164.09564	5.4
165.10318	6.0
166.08722	0.8
167.08246	1.1
167.10606	0.7
179.86961	0.4
180.11438	1.1
181.09804	0.4
182.13020	3.5
183.11386	3.4
184.10890	0.6
195.14992	1.5
197.16614	4.3
198.07985	0.5
199.18130	0.9
200.14076	7.4
207.15044	19.8
208.10927	0.5
208.13309	1.1
208.15198	0.6
209.16499	0.5
214.12411	0.9
216.13942	0.9
217.09869	0.4
224.14209	0.4
224.17668	10.6
225.16100	4.9
225.18037	0.7
226.12022	0.6
231.14993	0.6
241.13510	4.6
242.11955	2.5
242.18738	17.1
243.19029	0.5
259.14514	5.9
268.16681	1.2
268.20261	1.2
269.16641	1.0
276.17172	1.3
294.25317	0.7
295.21393	8.5
310.25073	0.8
312.17276	3.2
312.26321	0.5
313.22473	4.3
329.19775	1.5
330.18250	2.5
337.26086	9.4
338.26379	0.5
339.20309	0.5
347.20810	1.4
355.27151	4.3
355.82047	0.4
365.29163	0.6
371.24445	1.1
389.25418	0.9
425.25644	0.9
443.26810	0.8
468.35254	0.5
478.42517	0.4
494.37302	0.5
539.39160	5.0
546.12463	0.4
556.34857	1.3
573.37842	5.2
615.42627	2.3
764.50702	0.5
782.51886	100.0
783.52313	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	783.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48122	0.6
59.01387	5.7
60.99310	10.2
65.00343	0.7
69.53325	2.3
71.01387	1.3
77.32539	0.6
84.47486	0.6
85.02974	1.0
88.98811	52.3
89.02434	1.4
89.99149	0.9
98.22649	1.2
98.83922	0.7
107.01404	1.6
109.03010	1.2
110.14355	0.5
118.36514	0.6
121.02982	1.2
133.02960	1.2
134.03735	3.0
149.06099	1.3
151.00345	5.0
160.01689	1.8
163.04095	0.7
171.04558	0.9
175.04039	3.9
176.04736	1.2
178.99899	2.0
191.07208	2.0
193.05058	4.3
199.04062	3.1
201.02032	1.0
215.03510	1.6
226.02716	1.3
227.03502	4.9
235.06113	3.2
243.02977	6.7
254.02177	1.0
255.02989	7.9
265.07120	1.6
270.01749	0.7
271.02499	67.7
272.02774	3.3
283.02536	2.5
284.03314	3.8
285.03976	2.4
295.08261	6.0
299.01981	100.0
300.02725	35.9
301.03494	8.3
355.10403	2.4
445.07919	1.6
446.08545	18.1
447.08963	2.0
475.08826	15.4
476.09509	0.9
505.09546	1.0
561.23047	1.1
577.12036	1.0
608.13586	2.1
621.14728	3.1
637.14099	18.7
638.14703	1.1
693.96326	0.7
723.17981	0.8
783.19830	45.6
784.19922	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	783.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26995	0.6
58.81831	0.6
59.01384	3.2
59.27699	0.6
65.00327	0.9
73.75308	0.6
83.01369	0.8
92.35677	0.6
93.03507	0.6
96.96009	1.0
101.13443	0.6
107.01408	1.5
117.03533	0.7
134.03770	0.9
135.04539	0.7
151.00372	4.2
159.04570	0.8
160.54451	0.6
180.11974	0.5
181.05063	0.9
183.04509	2.5
185.02480	0.8
186.18800	0.5
189.15265	0.7
191.05600	0.5
193.05057	1.8
209.02811	0.6
211.04042	2.0
224.75166	0.5
227.03525	19.4
228.03806	1.2
229.05109	0.7
237.09865	0.6
239.03528	1.0
245.45738	0.6
255.03006	60.4
256.03604	5.0
257.04541	0.9
283.02509	60.0
284.03278	64.7
285.04053	31.4
286.04337	2.1
403.11978	0.6
417.15582	1.4
446.08594	4.6
489.10565	6.9
561.12317	1.8
621.14667	100.0
622.14923	8.2
664.75574	0.6
683.75952	0.6
783.19525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
65.00368	1.3
73.02947	0.7
77.59829	0.6
83.01424	0.9
85.02967	0.5
93.03486	1.0
101.02480	0.6
107.01406	1.2
107.87293	0.4
117.03539	0.6
134.03763	1.8
137.43806	0.5
151.00420	3.9
159.04572	1.1
163.00299	0.6
169.06543	0.7
173.02344	0.7
183.04506	2.9
185.05962	0.6
187.04045	1.1
193.05081	2.1
199.04054	0.6
210.80101	0.6
211.04027	2.4
227.03517	20.5
229.05058	2.3
239.03560	1.4
240.04143	0.5
241.05229	0.5
255.03012	61.6
256.03546	5.2
257.04553	2.1
269.04614	1.0
281.04565	0.8
283.02509	66.1
284.03275	52.2
285.04065	70.4
286.04456	4.6
309.03946	0.6
311.07632	0.6
326.04346	0.5
327.05170	1.1
446.08585	4.6
447.08969	1.3
459.09283	1.9
468.64633	0.5
489.10406	6.3
490.10657	0.6
541.50598	0.5
561.12543	2.9
594.70752	0.5
621.14648	100.0
622.14917	9.6
663.15381	0.7
665.11566	0.6
783.19916	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	783.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.19485	0.5
63.02406	0.5
65.00330	0.6
69.42396	0.4
69.62551	1.9
83.01382	0.6
93.03474	1.1
105.20264	0.4
107.01410	1.3
117.03487	0.7
125.02356	0.6
135.00951	0.6
140.07196	0.5
140.29198	0.4
141.99403	0.4
149.02464	0.5
151.00392	2.6
152.94048	0.5
155.05106	0.5
159.04500	0.6
163.00400	1.0
169.01401	0.6
169.06525	0.6
175.04065	0.6
183.04477	2.1
185.06119	0.7
187.03960	1.2
191.05682	0.6
193.99261	0.4
197.06033	1.8
199.03989	0.5
206.99515	0.5
211.03993	1.8
213.05527	0.8
227.03516	17.0
228.04176	0.8
229.05055	2.2
239.03468	0.8
240.04317	0.6
241.05083	0.9
255.03008	51.9
255.12555	0.9
256.03552	4.3
256.13043	0.9
257.04556	2.0
270.14859	0.8
283.02505	57.0
284.03275	48.4
285.04053	45.6
285.07370	1.1
286.04376	2.6
314.14114	0.7
319.87668	0.5
327.05099	2.0
446.08459	3.5
447.08859	0.9
489.10367	4.6
561.12085	1.1
579.13727	0.5
621.14648	100.0
622.15070	8.3
663.15710	1.2
674.00433	0.5
783.19830	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	783.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60329	0.8
59.01381	1.6
61.98836	100.0
62.98547	1.0
69.07430	5.8
74.63901	0.8
82.95409	0.9
96.70421	0.8
98.21832	1.6
147.43993	0.8
149.04289	0.8
149.37416	0.9
181.08818	0.9
267.96933	0.9
335.18683	1.0
514.49091	0.9
565.66992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	48.0
59.19260	11.0
59.19572	12.8
61.98843	100.0
71.01445	15.8
78.91900	44.9
89.02441	19.0
95.53046	12.3
101.02438	13.0
121.02997	13.6
146.38614	11.6
149.42056	12.3
152.11510	11.2
448.80389	13.1
593.10468	14.4
783.47021	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	783.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.6
61.98836	29.0
66.95935	3.8
68.95622	1.5
71.01390	4.0
80.91702	1.8
81.73078	1.4
82.95421	100.0
83.02509	1.8
84.00906	13.7
84.95127	36.3
85.00442	21.2
96.96019	3.3
98.22600	4.9
118.33611	1.4
121.02959	16.9
129.54855	1.4
160.40584	1.3
170.96643	1.3
171.10219	3.2
187.97885	1.3
231.46896	1.4
403.98178	1.6
451.51508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.0
61.75525	2.6
61.98833	3.4
69.03441	5.7
71.01380	11.9
71.05042	3.4
73.02946	5.4
81.03439	4.1
83.05034	3.8
85.02925	2.6
88.83874	2.4
89.02431	6.3
97.02986	2.4
97.06641	3.5
101.02443	8.8
102.05676	2.7
107.05040	3.7
110.33908	2.4
113.02478	2.4
125.02531	2.9
125.09776	11.3
135.08138	4.7
150.34741	2.5
151.11351	3.0
153.09283	4.2
161.09724	5.4
163.11343	4.7
168.64201	2.5
179.10789	9.6
185.11772	3.8
197.11838	75.8
207.10260	7.0
209.11838	38.3
225.11375	5.3
241.08501	2.4
241.10896	4.5
243.11046	2.5
245.15527	2.9
258.83530	2.9
287.16574	5.2
301.42487	2.4
305.17526	13.0
378.86008	2.6
477.19617	2.8
721.38788	4.5
765.37244	14.8
783.38202	100.0
784.38367	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	784.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.68026	0.3
74.66855	0.3
84.71758	0.3
94.29712	0.3
116.92927	0.5
138.03539	0.3
245.49367	0.3
333.29276	0.4
336.06610	0.3
381.82175	0.3
381.87680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92324	0.2
61.98835	100.0
67.48914	0.2
69.11895	0.4
69.12303	0.9
98.21889	0.4
99.92613	0.3
116.92886	1.7
209.11888	0.3
211.81219	0.2
239.20132	0.2
240.46909	0.2
253.09462	0.2
253.70259	0.2
277.21707	0.2
578.60089	0.2
613.53857	0.2
666.62738	0.2
673.71979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44728	0.5
59.01394	1.3
61.98858	2.8
73.04103	0.6
80.85016	0.6
85.00414	1.0
98.21890	1.4
108.90218	5.8
120.02174	3.6
121.02975	100.0
122.03323	2.2
136.01613	0.6
144.98825	0.6
148.46600	0.7
165.01939	2.4
181.06604	2.3
185.11752	0.6
191.03571	1.7
197.11926	0.7
206.47525	0.6
207.10254	1.2
209.04585	70.8
209.11909	1.3
210.04971	2.7
223.13394	0.8
225.05611	2.4
225.11440	0.9
305.17618	1.0
313.07175	3.6
357.06213	2.6
401.08865	10.8
599.97119	0.6
731.36853	1.1
749.38422	0.8
785.17499	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01388	30.9
61.98544	4.7
61.98835	48.3
71.01391	21.9
73.02937	7.8
80.05043	3.3
84.95128	15.8
85.00436	5.0
85.02963	8.6
87.00891	5.6
89.02467	6.8
96.96014	6.9
101.02444	6.5
106.06612	4.3
113.02444	8.3
117.60569	2.8
132.04570	6.3
134.06145	34.1
152.07190	4.0
160.04106	4.8
179.93477	2.9
190.05141	6.6
213.10333	8.0
227.11975	5.1
239.11684	3.2
265.09897	2.7
267.11395	10.4
285.12555	4.8
316.14505	6.2
324.11182	3.7
327.13605	7.0
328.10776	3.7
340.14661	10.5
356.14090	7.2
370.15488	3.9
384.13412	7.0
398.15009	8.8
400.16656	3.7
410.14755	3.2
412.16620	5.5
426.14072	3.8
438.14474	3.4
452.22449	2.9
573.21094	4.7
592.24017	3.0
753.27808	100.0
754.27966	7.7
785.30243	76.3
786.30927	4.7
807.61902	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	785.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03463	1.5
59.01382	27.8
60.99309	18.6
61.98830	9.5
65.03953	1.1
67.01892	15.4
69.03443	4.7
71.01019	1.6
71.01389	20.9
73.02945	7.9
81.03444	3.6
83.01379	2.1
83.05013	3.1
84.39247	1.0
85.02965	13.4
87.00885	28.2
88.00435	2.4
88.98811	78.4
89.01952	1.4
89.02455	20.5
93.03461	97.8
96.96038	1.5
99.00887	18.2
99.04514	1.5
101.02438	10.2
109.02966	1.5
111.00886	29.1
111.04521	13.4
113.02442	5.9
119.03510	2.8
119.05048	9.3
121.02142	1.9
121.02954	18.8
125.02435	2.1
129.01886	3.6
131.03476	2.0
134.03712	2.3
135.04565	2.4
137.02454	2.4
147.07243	1.1
147.08171	12.9
149.04578	2.1
155.03563	6.6
160.01636	2.1
161.02440	3.0
161.04498	2.5
163.04015	7.5
165.05508	1.8
173.04587	24.1
175.04045	3.1
179.05667	2.0
191.05606	20.1
193.04959	3.5
195.06601	1.3
227.03450	1.1
254.39525	1.1
255.03116	2.1
271.02472	4.7
285.03970	1.5
298.98816	1.4
299.01947	10.1
299.16656	1.5
300.02603	1.5
301.03616	1.4
301.18250	5.6
371.14624	1.4
446.35638	1.3
459.09079	1.4
530.10522	1.6
531.11121	2.7
536.31543	1.7
537.32367	5.5
611.13336	1.3
611.27100	7.9
663.15631	4.6
742.31055	1.4
785.32263	100.0
786.32654	13.6
791.81317	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.84206	0.7
57.03452	1.3
59.01385	9.4
62.13109	0.7
69.03456	5.4
69.79129	2.2
71.01387	8.5
71.05023	2.5
73.02956	1.3
81.03445	1.0
83.05012	1.5
85.02958	2.1
87.00890	1.0
88.04189	0.8
89.02460	2.9
95.05035	1.1
96.46046	0.6
96.96033	0.8
97.02966	0.8
97.06606	1.9
98.21779	0.9
101.02446	4.4
113.02464	2.5
123.08159	1.6
125.09749	4.4
127.07661	2.1
135.08177	0.9
137.25320	0.6
139.07635	0.9
141.09227	0.7
151.11302	2.7
153.09212	2.6
153.12891	1.4
157.11292	0.7
161.04628	1.5
161.09718	3.7
163.11334	2.0
171.10268	4.0
179.10800	8.6
181.12381	1.0
185.11868	5.5
197.11848	69.7
198.12196	2.1
207.10291	0.8
209.11845	21.2
223.09755	1.8
223.89380	0.7
225.11339	1.4
238.12100	1.4
241.10919	3.1
245.19124	1.1
253.09253	2.1
289.18164	3.7
307.19244	9.0
315.14395	0.9
325.20059	2.6
371.40460	0.7
459.18561	1.4
477.19864	2.5
767.38464	5.2
785.39716	100.0
786.40234	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	785.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.2
59.01385	28.6
61.98827	14.4
64.09963	3.8
66.29744	4.6
68.99817	7.2
70.09679	9.1
70.10054	8.6
71.01390	29.0
71.05036	4.2
73.02962	5.5
81.03490	4.4
83.05038	10.6
85.02917	7.1
87.00874	6.5
89.02451	13.0
90.92673	4.0
96.96030	9.1
97.02952	7.4
97.06600	8.1
99.00887	6.4
101.02444	14.6
109.06584	12.1
110.03765	6.0
111.04538	11.5
113.02458	10.6
123.08189	7.2
125.06087	6.6
125.09727	17.1
139.07640	6.7
151.11284	9.4
153.09238	16.3
155.10857	4.5
161.09703	8.6
163.11305	19.7
165.12833	5.6
169.12381	7.7
171.10271	78.5
171.11639	6.4
178.09903	4.7
179.10799	15.7
181.12434	6.8
185.11809	11.3
187.09753	5.1
195.93019	4.3
197.11819	20.2
199.09781	6.8
201.11285	8.4
201.18939	4.1
203.01295	4.6
205.08705	12.6
207.10246	31.2
209.11858	100.0
213.11288	10.8
221.11769	4.9
222.85213	4.4
223.09755	44.4
225.11266	20.9
227.12927	10.6
235.08244	6.7
245.19136	9.0
253.09209	27.7
257.31702	4.5
289.18292	28.8
291.19659	8.5
305.17398	5.6
307.19196	50.1
309.21042	4.5
325.20084	26.8
339.21826	8.6
341.23334	21.3
461.20480	7.5
525.26190	4.9
543.27734	11.5
749.37512	11.8
767.38690	19.8
785.40149	29.7
786.41095	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	785.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35598	4.5
57.03458	6.0
59.01395	40.8
61.98552	4.5
61.98832	27.6
65.99443	4.8
69.01873	4.3
71.01380	20.2
71.05046	7.1
83.05045	12.4
85.02940	9.0
86.39493	5.1
87.00884	8.4
89.02467	6.3
96.96018	14.7
97.02960	8.3
97.06612	10.1
98.22610	14.4
98.97971	5.6
99.00892	31.1
101.02454	16.8
107.04992	6.3
110.03750	5.4
111.00873	5.8
113.02470	8.4
114.93437	5.8
125.09747	26.2
135.08185	6.3
142.02682	5.6
163.11296	34.9
165.12898	5.4
171.10327	28.1
179.05603	4.6
181.08722	5.2
181.12354	35.0
192.36279	6.0
197.11865	23.5
199.13443	19.5
207.10268	54.3
209.11870	59.4
225.11333	71.5
239.12982	6.8
243.12436	46.3
253.09279	6.1
287.16510	8.6
305.17517	26.3
323.18417	7.2
340.49088	4.5
461.20294	11.9
475.96405	5.2
479.21289	16.1
541.26550	7.8
559.27563	7.7
767.38568	76.0
768.39044	16.1
785.39441	100.0
786.39728	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	786.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.6
61.72060	0.7
67.01897	8.4
69.18925	4.5
71.01390	1.4
72.64080	0.7
74.89765	0.8
77.06296	0.7
85.02960	47.0
89.02515	0.9
93.04457	0.8
111.00896	100.0
112.01214	1.4
121.02956	4.5
122.95410	0.7
126.79690	0.7
129.01944	3.4
191.05673	0.9
205.96594	0.9
219.56902	0.9
435.96658	0.8
459.09625	0.8
476.23166	2.5
742.30652	4.2
757.97382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33688	0.2
59.01390	5.8
63.23594	0.3
64.76669	0.3
67.01896	6.1
68.47182	0.3
69.14896	0.3
69.35909	0.6
69.36282	1.3
70.94930	0.3
71.01395	1.0
77.01169	0.3
85.02957	100.0
86.03292	1.0
106.74722	0.3
111.00891	99.2
112.01241	1.1
113.02367	0.3
118.94506	0.3
120.17255	0.3
121.02961	8.7
129.01959	7.5
130.04271	0.6
143.05008	0.4
145.06627	0.9
149.52103	0.3
171.04626	0.4
173.06102	0.3
175.03886	0.4
176.22568	0.4
342.17010	0.5
374.19876	0.4
398.20056	0.5
402.19794	0.4
416.20798	0.5
434.22000	1.4
452.23105	0.5
458.22113	0.9
462.21429	1.8
476.22919	7.6
494.23831	1.8
520.92426	0.3
742.30798	10.4
743.31293	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81169	0.1
59.01371	0.3
61.98807	0.2
62.09959	0.1
65.00315	0.2
67.01893	8.7
68.02232	0.2
83.01388	0.7
85.02951	4.0
85.73122	0.1
93.79571	0.1
98.22600	0.3
111.00887	100.0
112.01225	1.5
116.92858	0.1
118.38634	0.1
121.02962	3.4
122.03330	0.1
129.01955	2.0
136.98856	0.2
154.99873	1.3
173.00909	1.5
209.40804	0.1
559.99902	0.1
586.07397	0.1
742.30408	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	786.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01715	0.6
61.98835	1.8
64.65836	0.4
69.07207	0.7
69.07616	1.7
71.01371	0.4
79.18540	0.3
80.91700	0.8
82.95425	2.4
96.96050	0.5
101.02473	0.4
106.81757	0.4
111.00896	0.5
115.92405	0.4
116.92853	0.5
121.02968	24.9
207.10339	0.5
209.11856	1.0
279.62234	0.3
315.12677	0.4
323.76483	0.3
386.93796	0.3
532.00610	0.4
602.28729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.97314	0.1
64.27332	0.1
112.01311	0.1
114.03096	0.1
126.92950	0.1
133.31020	0.1
167.64682	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	786.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.43121	0.4
69.43523	0.7
74.14984	0.2
96.59077	0.2
115.22615	0.2
116.92865	0.3
136.13757	0.2
204.29645	0.2
226.77347	0.2
315.25888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
60.58651	0.2
61.98836	100.0
64.67443	0.2
76.03341	0.2
78.95924	1.0
115.06557	0.2
152.99701	0.3
209.11855	0.5
221.22121	0.3
246.67560	0.3
591.36755	0.3
750.84680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.0
61.05666	0.7
61.98835	5.3
63.02405	0.8
65.00349	1.8
69.18698	1.0
69.19095	2.9
71.01402	2.5
73.02960	0.8
83.01385	1.4
85.02980	1.8
87.00864	0.5
88.98826	1.4
89.02444	1.7
90.67220	0.5
93.03480	1.6
101.02466	1.4
107.01395	2.7
108.02218	0.6
108.26836	0.6
109.02972	1.2
113.02457	0.8
114.69293	0.6
119.05088	1.6
121.02972	1.1
132.02202	0.8
133.02965	1.4
134.03751	2.8
135.04500	0.9
137.02443	1.5
139.03914	0.6
145.02956	1.5
147.00876	0.8
147.04605	0.7
149.02411	1.0
150.03273	1.4
151.00397	11.3
160.01675	8.4
161.02530	1.0
163.03960	1.1
165.05568	1.8
171.04520	1.3
175.00298	1.5
175.04037	11.5
178.99890	0.7
179.03493	1.0
190.02757	1.0
191.05669	1.9
193.05112	3.1
199.04005	5.0
201.01964	1.3
205.05008	1.2
215.03453	2.0
226.02556	0.6
227.03569	3.8
242.02281	1.1
243.02977	5.5
255.03012	2.6
271.02499	61.3
272.02942	3.5
283.02536	0.8
284.03360	0.8
285.03900	0.7
298.01160	2.9
299.01987	100.0
300.02585	9.2
301.03458	4.5
462.07492	1.1
505.09964	1.3
565.09918	1.2
565.26575	12.3
581.09338	1.6
582.10138	17.9
583.10931	9.3
584.11255	1.1
607.24103	1.5
727.15601	1.3
745.16284	0.9
751.17267	3.6
787.17273	40.2
787.28851	1.4
788.17529	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	787.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
59.01383	14.0
61.98828	4.0
63.02406	2.2
65.00322	8.9
67.01888	1.0
71.01387	7.7
73.02960	1.8
83.01385	5.4
85.02940	3.5
87.00892	2.4
88.98792	1.3
89.02461	4.2
93.03474	8.6
96.96033	1.0
99.04521	1.4
101.02443	3.9
107.01408	15.8
109.02968	3.0
111.00888	1.4
113.02464	2.3
119.03525	1.3
119.05039	1.4
121.02969	5.0
122.02461	1.2
123.04486	0.9
125.02505	1.2
130.20242	0.8
131.01411	1.7
133.02992	1.3
134.03751	3.0
134.97684	1.3
135.04514	2.0
136.01674	1.0
137.02486	5.2
145.02927	1.4
149.02467	2.4
149.06046	1.3
150.03244	3.7
151.00383	74.0
151.03976	1.5
152.00757	1.6
153.01949	2.4
160.01674	2.7
160.04053	1.4
161.02547	1.9
161.04622	1.2
164.04802	1.1
165.01961	1.8
165.05614	6.7
169.01439	1.6
171.04532	1.2
175.00369	14.2
175.03986	4.8
176.00824	0.9
176.04657	1.0
176.42441	0.9
177.01933	1.3
178.02751	1.1
178.99875	4.0
179.03452	1.9
184.87155	1.0
187.04057	1.0
187.11285	1.7
190.30507	0.9
191.05605	4.8
193.01437	3.2
193.05066	3.4
195.06645	1.6
199.04050	5.4
201.01901	1.3
205.01447	1.0
205.05038	1.1
215.03464	1.6
226.02693	1.6
227.03505	6.1
243.03017	4.8
255.03040	5.8
257.04501	2.3
271.02505	67.0
272.03006	2.6
283.02460	4.0
284.03195	3.6
285.04016	4.7
297.06189	1.9
299.01993	94.2
300.02719	20.5
301.03555	32.0
302.03992	1.9
384.83762	0.9
407.68491	1.2
433.07727	1.8
461.07071	4.8
479.15610	1.9
505.10007	2.7
565.09540	1.8
565.25476	1.3
582.10358	7.0
583.10962	100.0
584.11249	6.1
587.21088	1.9
607.23950	2.6
745.15552	1.6
786.40955	3.5
787.17322	38.8
787.30157	3.1
787.42480	4.3
788.17090	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	787.1948
Annotation	Quercetin 3-gentiobioside-7-glucoside
Peak:m/z	Relative Intensity
58.46296	0.9
59.01374	1.8
61.67731	0.7
65.00372	0.9
69.30912	1.8
69.31313	2.7
71.01382	1.1
74.68715	0.8
79.05746	0.7
81.53152	0.8
83.01403	1.0
85.02950	1.4
98.21815	1.7
107.01376	1.9
109.02909	1.1
135.04509	0.8
151.00403	10.1
163.00415	1.1
175.03947	0.9
177.68280	0.7
178.99892	3.5
199.04047	3.2
226.02689	1.2
227.03511	3.5
239.05553	2.7
243.03023	4.1
255.02974	5.4
271.02505	59.8
272.02979	2.7
299.01999	100.0
300.02716	41.3
301.03561	39.7
301.06537	0.6
301.07077	1.1
302.03955	1.5
313.03317	1.6
333.86566	1.0
343.04526	1.6
436.90479	0.9
462.08170	11.4
463.08734	4.5
551.39404	0.9
592.06427	1.0
625.14191	67.7
626.14514	4.5
787.19415	46.0
788.20013	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	787.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	11.9
60.50481	6.3
61.98838	100.0
69.80196	24.6
71.01408	8.5
75.88539	6.1
81.03481	6.2
98.22624	8.0
101.02432	11.5
109.06593	14.6
135.08185	7.4
149.64752	6.4
163.11403	11.9
191.14462	7.9
197.11850	8.7
207.10263	39.3
209.11794	25.1
225.11319	22.8
253.09225	16.3
289.18109	22.7
307.19153	25.5
461.20062	11.6
497.29388	7.6
733.37848	24.5
751.39465	35.1
787.38129	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.0
59.01388	34.4
61.49287	5.2
61.98837	93.9
71.01382	18.6
73.02958	5.9
78.91908	19.7
78.95918	15.3
81.03471	7.5
83.05061	7.8
87.00887	10.3
89.02457	9.9
90.56814	5.5
94.01585	5.2
97.02964	13.0
98.21880	13.3
100.28047	5.3
101.02451	12.2
104.28082	5.1
109.06606	36.2
110.89920	41.6
110.90591	6.0
113.02454	11.0
121.02967	69.6
122.03303	21.5
123.04599	5.7
125.09733	14.2
135.08147	8.4
136.05255	6.6
163.11284	15.8
171.10318	13.7
181.12389	13.2
185.11829	21.6
187.09738	7.9
191.14465	8.0
207.10295	100.0
209.04588	48.7
209.11859	17.0
210.04890	22.3
211.05083	7.4
225.11356	51.4
235.08142	8.1
237.11400	11.5
245.19145	14.3
253.09270	22.3
274.74875	6.2
289.18155	42.1
307.19147	65.2
345.20578	10.2
413.65555	6.8
443.19016	6.6
461.20276	15.1
479.28326	6.3
497.29227	16.3
498.71814	5.0
515.30389	8.0
607.27429	7.2
625.29034	12.1
707.37305	7.6
715.37299	9.2
733.38324	60.1
734.38483	7.8
751.39197	71.6
752.38812	10.4
787.36206	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	787.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.1
61.98838	14.6
67.76436	1.4
69.96712	3.4
71.01389	11.3
71.05020	4.4
73.02894	2.0
78.95906	2.9
81.55952	1.2
83.05032	3.3
85.02927	2.6
87.00887	1.9
89.02469	4.1
97.02948	3.8
97.06586	2.8
98.22539	1.5
99.00895	14.9
101.02448	5.1
109.06569	1.9
110.03721	2.4
113.02444	2.8
123.08135	2.6
125.09737	8.9
127.02168	1.4
127.07623	3.0
133.00090	1.4
135.08176	2.1
153.09201	4.0
161.04483	1.8
163.11314	11.4
165.12866	1.8
171.10291	7.8
181.12357	16.7
185.11787	6.5
191.14439	1.6
197.11816	8.4
199.13416	21.5
207.10271	32.3
209.11842	40.5
221.11719	1.8
225.11346	44.8
226.11618	1.7
227.12859	3.6
235.08275	2.7
238.11961	1.5
243.12401	12.6
253.09254	6.4
288.18170	1.4
289.18140	2.7
291.19574	10.7
307.19128	15.6
309.20697	16.3
325.20218	7.7
461.20355	8.6
479.21188	3.2
543.28406	3.8
751.39093	6.1
769.39783	11.0
787.41284	100.0
788.41095	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	787.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.8
59.01381	56.9
61.98835	21.5
68.94868	4.7
71.01382	14.0
83.05032	11.5
85.02979	8.1
88.64300	5.5
89.02460	11.5
93.59360	5.2
96.96001	12.3
99.00871	26.5
101.02457	11.8
109.06612	7.4
113.02428	9.8
114.47185	5.6
116.92854	16.4
120.86368	5.8
125.09720	13.7
134.89790	5.2
135.08168	5.7
163.11307	15.3
171.10271	18.3
181.12337	15.8
197.11836	20.5
199.13356	6.7
201.11342	39.3
207.10284	40.5
209.11816	100.0
225.11298	44.5
227.12971	12.7
243.12419	37.0
253.09323	14.7
305.17664	29.9
338.52573	5.5
508.17398	5.6
541.26678	8.9
689.34558	7.3
725.38293	7.6
751.38586	6.9
769.40582	10.6
787.41376	87.4
788.41394	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	787.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03444	3.1
59.01382	15.0
59.48911	1.1
61.98833	1.9
69.03449	1.3
71.01389	12.5
71.05022	5.3
73.02942	1.4
73.59954	1.1
78.91961	1.2
82.95413	2.8
83.01402	1.6
83.05017	2.7
85.02940	3.4
87.00884	2.9
89.02459	6.1
95.05038	1.6
96.96017	7.9
97.02967	5.5
97.06586	5.0
99.00891	26.0
100.44698	1.1
101.02445	4.9
108.85181	1.1
109.06624	1.6
110.03719	2.1
113.02454	3.6
114.93417	4.8
116.92842	1.7
123.08138	2.9
125.09740	11.8
127.07645	3.1
135.08218	1.7
153.09195	1.8
153.12782	1.7
153.77811	1.0
163.11301	15.8
171.10294	7.6
181.12352	22.7
185.11826	5.3
197.11824	7.6
199.13396	16.1
201.11320	1.3
207.10291	36.9
209.11853	19.9
211.13503	1.3
225.11337	50.3
226.11668	1.9
235.08081	1.3
238.12178	1.4
239.33836	1.2
243.12379	31.2
245.18700	1.2
258.62952	1.1
289.18121	2.4
307.19235	10.3
325.20129	3.5
461.20462	3.4
479.21426	13.5
543.28094	3.2
633.31427	2.1
738.43243	1.5
769.40198	16.7
770.40295	3.0
787.41333	100.0
788.41577	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	787.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
57.82528	1.0
59.01390	10.9
61.98837	6.9
71.01389	11.5
71.43533	1.4
73.02942	2.6
80.02677	2.0
81.03436	1.7
83.05034	6.3
84.02151	1.1
85.02941	2.1
87.00852	1.9
89.02466	5.1
95.05013	2.3
96.96005	2.8
97.02956	1.3
97.06616	1.9
99.92608	1.5
101.02462	4.4
107.05043	2.0
109.06594	2.1
111.08194	2.2
113.02457	1.5
116.92892	13.8
125.06099	3.8
125.09759	3.7
127.07597	1.4
127.11324	2.7
134.20474	1.1
139.07674	4.9
141.09207	1.3
153.09233	3.0
159.51175	1.2
161.04607	2.3
163.11310	4.5
165.12831	2.6
169.08696	4.6
171.10303	27.8
185.11821	2.1
197.11800	2.9
199.09921	1.2
199.13496	1.9
201.09488	2.5
201.11342	41.8
207.10283	2.8
209.11856	100.0
210.12190	2.0
211.46997	1.2
215.12810	1.2
225.11528	5.1
225.15068	1.5
227.12909	14.6
235.08232	4.9
251.15926	1.1
253.09308	13.9
287.16541	2.4
305.17633	7.4
307.19144	5.6
323.18826	1.4
325.20270	2.3
341.23315	13.5
541.26611	3.1
542.59491	1.2
751.39233	2.0
769.39801	2.2
787.41766	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	788.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89890	0.8
56.53775	0.9
59.01379	6.5
60.99308	21.8
61.98828	8.7
69.08905	6.4
71.01379	3.0
73.02970	1.2
75.76447	1.0
80.91684	2.0
82.95419	2.6
85.02959	1.2
85.33768	0.9
85.89362	0.9
87.00870	6.6
87.34765	1.1
88.00404	1.8
88.98813	100.0
89.02451	55.5
96.96022	0.9
101.02431	2.0
113.02439	1.4
116.92873	1.6
187.53044	0.9
209.11803	2.1
272.22076	1.1
379.81854	0.9
388.63034	1.0
787.44202	2.9
788.44873	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	789.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.3
61.98831	20.8
71.01392	6.2
76.22369	2.4
78.95891	4.4
83.04989	3.1
88.98810	6.3
89.02425	2.8
96.53403	2.4
98.21905	7.1
101.02492	4.3
110.77249	2.6
118.25159	2.9
141.21349	2.8
161.04530	3.3
163.11258	5.1
171.10310	5.5
185.11897	4.8
207.10295	5.0
209.11852	100.0
210.12236	5.6
227.12936	21.6
235.08266	5.7
236.20776	2.7
245.19153	7.8
253.09276	16.0
271.17142	2.9
289.18149	34.1
290.18347	3.8
307.19189	54.2
309.20645	6.5
310.20767	2.8
499.30920	3.7
520.29620	3.0
525.27106	3.6
543.28387	3.0
735.39526	9.9
753.40344	8.8
789.39227	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	789.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.6
61.98836	100.0
70.94942	14.2
71.40722	8.6
78.95942	16.9
101.02430	11.7
109.06575	16.7
140.97348	9.1
163.11288	12.5
171.10275	10.0
181.12383	10.1
207.10280	41.4
209.11827	37.6
211.13374	11.9
225.11342	31.2
227.12886	12.2
235.08130	12.8
253.09181	13.6
261.95407	8.9
289.18152	11.3
291.19815	48.1
307.18994	49.7
309.20728	89.1
461.20279	14.8
481.29449	13.1
543.28015	15.5
545.29425	17.9
688.47882	11.0
717.38025	33.7
735.39899	65.8
753.40887	90.0
766.15320	9.8
789.38623	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61207	4.5
59.01375	12.7
60.22320	4.5
61.98832	100.0
64.85762	5.0
71.01381	5.4
90.00066	4.6
93.17760	4.4
101.02466	6.3
116.92901	10.1
143.16676	4.9
171.10275	7.3
192.60831	5.2
209.11852	84.8
227.12898	19.6
253.09348	7.1
289.18088	32.5
289.20926	5.0
307.19214	24.4
403.79431	5.2
549.66125	5.6
713.66791	4.9
735.39172	7.6
753.40369	7.3
789.38873	22.6
823.25146	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	789.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.2
61.98841	100.0
78.42320	11.8
86.65248	11.5
105.97651	10.2
158.80275	12.4
171.10214	12.0
183.25264	11.1
195.93857	12.0
207.10255	27.5
209.11838	54.0
225.11371	25.8
227.12900	13.2
228.97113	11.3
291.19727	17.3
307.19214	31.0
309.20792	20.7
411.06979	11.8
415.57300	13.1
574.42755	13.3
717.38422	18.3
735.39417	42.1
753.40393	36.0
789.39075	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.5
58.69344	1.8
59.01385	73.2
59.47198	1.9
60.20642	1.7
61.98840	23.6
69.24219	4.9
69.24622	6.6
71.01395	34.2
73.02965	9.5
77.79304	1.7
82.95430	19.3
83.01390	4.5
85.02957	13.5
87.00893	4.5
89.02448	21.7
95.01388	2.5
96.96031	5.2
99.00893	3.7
101.02469	21.0
111.00900	5.9
113.02461	11.2
116.92870	6.7
117.92921	2.1
118.98188	2.1
119.03541	3.3
125.02486	3.4
131.03534	5.6
149.04568	2.9
161.04495	3.3
171.10310	4.9
209.11841	15.0
214.39755	2.2
227.12912	2.7
237.14757	2.1
253.09364	3.8
255.03104	4.9
265.85425	2.1
283.02463	8.7
284.03110	2.4
285.04001	4.8
327.21890	2.2
343.21350	3.5
435.34909	4.3
500.85776	2.2
586.35919	2.1
622.22650	2.3
789.46558	100.0
790.47021	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	789.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
56.99178	2.3
57.03437	4.0
59.01385	91.7
60.81070	2.0
61.98834	14.4
69.37798	2.0
69.80608	6.3
71.01385	60.3
72.99300	4.0
73.02957	13.1
82.95442	7.7
83.01403	9.4
85.02952	27.2
87.00883	2.6
88.98809	17.7
89.02458	34.7
95.01392	7.8
97.02921	2.9
99.00887	4.5
101.02449	32.8
101.03892	2.1
111.00895	2.9
113.02457	25.1
116.92876	15.1
119.03509	10.4
143.03529	2.3
155.11226	2.2
159.03038	2.6
161.04515	8.4
171.10254	6.8
201.11395	4.7
209.11855	16.9
255.02969	5.3
273.94125	2.5
283.02472	3.5
307.19159	5.0
312.87280	2.1
351.22552	2.3
435.34924	2.6
565.40906	5.2
609.40057	67.5
789.46545	100.0
790.46356	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	790.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.2
61.98833	7.6
71.01392	1.1
71.56334	0.6
79.00880	0.6
83.01428	0.6
85.02928	0.8
93.03475	0.7
96.96033	2.2
107.01407	1.7
111.00888	0.7
114.05612	0.9
117.03473	1.4
125.19382	0.6
133.01700	1.0
133.76526	0.5
134.02522	1.8
134.03793	0.7
136.94862	0.6
137.02487	0.7
151.00398	2.4
155.05060	1.1
159.04483	1.2
175.03986	0.7
180.03036	2.6
183.04556	5.1
185.02361	0.8
193.05235	0.9
197.76636	0.6
205.74072	0.6
211.04086	3.7
227.03485	6.9
239.03506	1.0
241.03670	0.8
255.03000	55.9
256.03436	1.8
269.04681	1.4
281.04620	0.8
283.02499	100.0
284.03140	11.2
285.04102	26.3
286.04333	1.2
297.04108	1.1
300.05133	1.4
316.04874	0.6
327.05014	1.1
331.06949	0.6
332.07803	1.6
344.00116	0.7
429.08276	3.8
489.10425	42.8
490.10730	2.7
494.13177	0.8
531.11523	2.9
584.14148	1.6
584.24451	0.7
585.14923	29.3
586.15558	9.4
596.14392	0.9
628.17407	0.8
629.22021	1.1
730.19745	1.7
758.20056	1.7
790.22028	23.7
791.22375	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	790.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
59.59754	0.6
61.98832	15.9
69.33430	3.0
71.01411	0.8
82.37930	0.5
83.01384	1.0
85.02986	0.6
89.02465	1.2
93.03474	1.5
96.96022	1.1
98.22662	1.0
107.01419	1.1
107.05051	0.6
108.02260	0.6
114.05643	1.3
117.03493	2.1
119.05019	0.9
134.03751	0.7
135.00897	0.9
135.04517	0.6
142.88275	0.6
145.03018	0.9
149.05952	0.7
151.00348	2.5
152.01172	1.2
155.05048	1.0
159.04584	1.3
160.01660	0.7
163.00430	1.1
163.03998	0.7
169.06619	1.2
171.04466	0.7
175.04004	1.4
183.04535	6.2
187.03995	0.8
193.05019	0.7
195.05267	0.6
210.69746	0.6
211.04083	4.4
213.05563	1.0
227.03517	6.6
241.05031	1.0
255.03003	57.9
256.03461	2.9
257.04593	0.7
269.04416	0.8
283.02493	100.0
284.03140	10.1
285.04062	55.0
285.07355	1.4
286.04367	3.0
295.21384	0.7
297.04147	1.1
309.03851	0.8
327.05051	2.7
485.78369	0.6
489.10361	17.5
490.11096	0.8
531.11597	1.4
585.15051	10.8
586.15662	17.9
587.16315	1.3
646.74591	0.6
745.16516	0.8
790.22046	35.4
791.22137	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	791.299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	18.7
59.01383	100.0
64.51524	1.7
66.18892	1.5
71.01391	4.5
73.02950	2.2
85.02959	2.5
87.00887	35.4
89.02467	2.1
96.04726	1.7
96.96020	2.9
99.00884	1.8
99.04545	13.6
101.02471	7.5
103.00386	53.4
111.00898	5.4
113.02472	2.3
121.02974	60.8
125.02449	5.8
130.99883	45.7
135.04533	2.3
158.13268	2.0
158.28270	1.5
172.37669	1.8
182.05699	2.2
191.05566	2.1
193.05061	3.4
221.10245	4.5
223.06137	1.9
253.03568	79.4
254.03860	2.7
263.11337	2.1
352.79504	2.0
365.14642	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	791.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29473	2.1
59.01388	5.3
61.98833	20.2
71.01387	4.3
71.03554	2.1
71.03881	2.4
78.95913	3.9
83.05026	2.9
84.12926	1.9
85.00471	3.0
89.02429	3.1
96.28111	2.2
97.02966	2.2
97.28399	1.8
101.02434	2.3
107.32258	1.8
107.99561	1.9
110.82117	1.7
112.65639	1.9
124.35207	1.8
165.12843	3.3
171.10185	2.2
185.11832	18.1
209.11844	100.0
210.12227	4.9
222.98849	2.1
227.12907	24.2
235.08054	4.2
245.19116	2.6
253.09268	16.1
289.18228	3.8
291.19800	11.0
307.19168	2.5
309.20746	57.8
310.21097	4.6
319.11447	2.0
328.12921	1.9
445.20911	7.3
488.76120	2.2
527.28394	4.0
545.29730	5.4
655.16919	2.4
679.07019	2.2
737.40894	8.9
738.41675	3.0
755.38922	26.4
756.41541	3.0
791.39795	18.0
792.40765	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.4
61.98839	28.4
64.70442	2.3
70.89975	4.0
85.00452	2.5
87.58409	2.5
101.02468	2.9
108.03221	3.0
118.14942	2.8
135.04625	2.6
202.74649	2.6
209.11841	74.1
227.12834	24.8
235.08095	3.9
253.09212	9.5
291.19659	23.7
309.20767	100.0
310.20810	3.1
329.21329	3.0
527.28766	9.2
545.29791	32.7
658.36334	2.9
737.40601	11.5
755.42102	11.0
791.39655	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	791.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07824	5.5
59.01367	7.8
61.98834	29.8
68.84388	5.5
83.05019	6.4
94.55068	5.5
98.22724	9.1
120.87766	5.9
151.72057	5.1
171.10292	7.6
185.97180	6.1
205.23479	5.7
209.11856	100.0
210.12094	9.8
217.77350	6.3
227.12947	24.1
253.09160	14.0
289.17990	7.5
291.19650	18.0
307.19217	16.0
309.20709	68.6
310.21210	7.0
327.86380	5.7
485.98108	6.7
545.29779	16.0
737.41278	9.9
791.39252	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	791.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37139	15.0
59.01369	31.7
61.98831	62.5
66.81627	16.0
70.96803	15.7
79.62433	13.9
103.01508	25.0
116.92842	38.5
117.39897	15.8
209.11852	80.6
249.18564	32.3
277.21857	100.0
380.65588	16.3
612.84570	17.8
725.88763	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	791.461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03462	1.0
59.01384	13.0
61.98822	2.9
63.57627	0.8
70.64923	0.8
70.65250	0.9
70.66866	0.7
71.01377	8.0
71.04987	0.8
72.99332	0.8
73.02959	1.5
80.02683	1.2
81.03462	2.6
83.01417	1.0
83.05024	6.7
85.02946	2.3
87.00912	1.1
89.02444	4.6
93.03487	1.1
95.05050	1.8
97.02942	1.9
97.06592	2.7
101.02451	7.6
107.05049	6.4
108.02167	0.9
109.06602	3.3
110.03751	1.6
111.00887	1.0
113.02460	3.6
113.06099	1.3
119.03495	1.8
121.02953	1.3
123.08115	1.3
125.02454	3.2
125.06088	2.1
125.09719	6.1
135.08170	4.1
153.09229	9.3
161.04564	2.9
161.05916	0.9
163.11266	8.0
165.12877	3.3
176.08421	3.5
177.09091	0.9
178.10019	3.1
179.05598	1.4
181.12410	1.2
185.11819	2.7
187.09744	1.4
190.09872	0.8
191.10767	3.8
193.12482	0.8
197.11842	19.0
207.10307	7.8
209.11842	100.0
210.12140	3.2
217.12332	1.7
219.17445	0.9
225.11279	4.5
235.08176	1.0
236.10533	2.2
243.17470	1.8
245.15569	2.2
249.18608	78.9
250.18909	2.2
253.09290	13.0
261.18671	4.5
269.15463	2.4
277.18127	4.3
277.21585	1.3
279.19684	1.7
287.16562	12.7
305.17596	94.5
306.17908	2.8
323.18640	18.0
331.79529	0.8
445.20917	2.4
523.25427	8.0
541.26605	37.8
542.26593	2.1
559.27917	4.0
613.41327	0.9
693.38501	7.5
748.39447	0.9
773.44855	36.0
774.45331	3.0
791.46075	10.4
824.28638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80333	0.3
59.01384	2.8
61.98838	2.1
63.02418	0.6
65.00324	0.8
65.62524	0.3
71.01384	0.4
80.83444	0.3
80.98376	0.3
83.01385	0.5
84.16123	0.3
85.66392	0.3
90.65285	0.3
91.15555	0.3
101.02402	0.5
107.01410	1.5
109.02984	0.5
112.48866	0.4
116.92865	0.5
118.88477	0.3
121.02977	0.4
123.00900	0.4
126.36607	0.3
133.02956	1.0
151.00340	2.2
157.03043	0.4
161.02466	0.4
161.84705	0.3
171.04488	1.6
173.02365	0.5
175.00362	0.8
175.04007	1.4
178.99847	0.6
187.04016	0.8
191.05867	0.4
197.02460	0.5
199.04013	3.8
201.01939	1.4
202.02354	0.4
203.03522	0.6
215.03481	2.7
226.02734	1.1
227.03490	3.8
242.02237	0.7
243.02983	4.6
254.02260	0.5
255.02986	1.7
271.02493	58.8
272.02808	3.1
282.01703	0.5
292.31580	0.4
299.01981	100.0
300.02478	8.4
301.03519	1.5
313.03784	0.5
362.58456	0.3
369.04156	0.4
461.07373	1.4
462.08054	35.0
463.08600	2.6
505.66022	0.4
520.21521	0.4
571.10852	1.3
631.13129	12.1
632.13367	1.0
673.13495	0.5
751.17419	3.5
793.18427	23.0
794.18982	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	793.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.6
61.98838	6.2
62.40096	1.4
68.72942	1.5
69.58979	5.7
71.01024	1.2
71.01366	7.1
74.24860	1.2
78.39542	1.2
80.05068	14.8
84.47181	1.1
85.02953	3.0
87.00884	2.5
88.98822	1.8
89.02461	4.2
96.96025	3.8
101.02465	3.0
104.05006	1.6
106.06640	20.6
108.08215	15.1
111.00890	1.7
113.02502	1.8
116.92841	1.7
122.06129	5.8
132.04561	43.7
132.08202	3.2
133.05359	2.1
134.06145	11.9
134.09747	7.4
146.06114	2.8
152.07187	18.6
160.01749	1.6
165.05554	1.9
168.06976	3.4
175.04047	2.9
178.05101	1.9
183.09315	8.6
191.05647	1.9
193.05203	1.9
199.12421	5.3
200.09512	3.9
209.07289	2.0
210.07980	4.3
211.08772	6.3
212.10800	4.3
213.10333	14.5
214.61328	1.4
215.11894	42.5
216.12352	1.9
224.09563	13.5
225.10358	18.1
226.11098	2.6
227.11978	3.8
229.13513	5.9
233.71617	1.4
238.11031	2.0
239.11911	22.4
241.09825	1.8
241.13443	9.1
255.03078	2.0
255.11246	1.5
256.12225	4.4
257.12982	28.0
264.95132	1.5
267.11469	4.5
271.02356	1.8
283.10944	5.2
284.03238	3.7
285.04010	4.0
285.12442	21.2
310.62241	1.5
311.10440	3.3
327.09805	13.2
329.11432	52.1
330.11591	1.5
338.72513	1.6
348.17044	2.6
355.09421	5.6
358.09363	1.5
394.17615	13.0
395.17462	1.9
436.18756	1.8
489.10498	4.5
527.22845	5.8
571.21979	100.0
572.22302	9.5
598.24414	2.4
613.22913	1.9
631.22876	3.0
731.29272	5.2
749.30139	1.8
759.95667	1.7
767.06097	1.6
775.28406	71.1
776.28497	11.0
793.29248	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	793.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.6
61.98838	6.2
62.40096	1.4
68.72942	1.5
69.58979	5.7
71.01024	1.2
71.01366	7.1
74.24860	1.2
78.39542	1.2
80.05068	14.8
84.47181	1.1
85.02953	3.0
87.00884	2.5
88.98822	1.8
89.02461	4.2
96.96025	3.8
101.02465	3.0
104.05006	1.6
106.06640	20.6
108.08215	15.1
111.00890	1.7
113.02502	1.8
116.92841	1.7
122.06129	5.8
132.04561	43.7
132.08202	3.2
133.05359	2.1
134.06145	11.9
134.09747	7.4
146.06114	2.8
152.07187	18.6
160.01749	1.6
165.05554	1.9
168.06976	3.4
175.04047	2.9
178.05101	1.9
183.09315	8.6
191.05647	1.9
193.05203	1.9
199.12421	5.3
200.09512	3.9
209.07289	2.0
210.07980	4.3
211.08772	6.3
212.10800	4.3
213.10333	14.5
214.61328	1.4
215.11894	42.5
216.12352	1.9
224.09563	13.5
225.10358	18.1
226.11098	2.6
227.11978	3.8
229.13513	5.9
233.71617	1.4
238.11031	2.0
239.11911	22.4
241.09825	1.8
241.13443	9.1
255.03078	2.0
255.11246	1.5
256.12225	4.4
257.12982	28.0
264.95132	1.5
267.11469	4.5
271.02356	1.8
283.10944	5.2
284.03238	3.7
285.04010	4.0
285.12442	21.2
310.62241	1.5
311.10440	3.3
327.09805	13.2
329.11432	52.1
330.11591	1.5
338.72513	1.6
348.17044	2.6
355.09421	5.6
358.09363	1.5
394.17615	13.0
395.17462	1.9
436.18756	1.8
489.10498	4.5
527.22845	5.8
571.21979	100.0
572.22302	9.5
598.24414	2.4
613.22913	1.9
631.22876	3.0
731.29272	5.2
749.30139	1.8
759.95667	1.7
767.06097	1.6
775.28406	71.1
776.28497	11.0
793.29248	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.10130	0.2
61.98829	1.1
71.01399	0.3
71.44361	0.2
73.02958	2.1
75.00874	3.5
81.19964	0.2
82.95415	0.7
99.00879	1.9
99.92592	11.1
100.92606	0.4
109.99157	0.2
114.93401	0.6
116.03575	0.3
116.92870	100.0
116.97258	7.1
117.01947	5.7
117.92882	3.0
205.24791	0.2
293.67804	0.2
335.17551	0.9
397.13687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	41.5
61.98835	91.3
71.01388	46.7
73.02934	7.7
78.95883	6.7
83.05027	13.4
85.02971	6.1
89.02425	14.5
95.05038	8.5
96.96005	11.1
97.02952	7.3
97.06616	11.5
98.22691	14.8
99.00877	9.9
101.02446	12.1
109.06601	14.1
109.29480	5.8
111.00914	6.0
123.04585	9.7
125.09723	13.1
133.06639	10.6
135.08144	48.9
139.07654	10.1
151.07626	6.2
153.05594	8.2
153.09213	17.8
163.11327	9.5
167.07111	7.5
171.10315	11.8
177.05573	18.8
179.07141	43.0
181.08672	32.7
181.12398	6.0
185.11778	11.1
197.08212	26.7
197.11899	29.3
199.09830	11.6
201.11340	5.5
207.10213	16.3
209.11885	100.0
212.21997	5.8
220.67976	5.5
225.11316	22.6
225.16748	5.8
233.73509	5.8
237.11443	7.5
253.09302	29.0
261.18433	8.8
277.18216	10.0
279.04279	6.4
279.07813	5.5
279.19592	6.2
295.19174	6.4
303.16058	14.3
305.17599	91.8
321.17017	13.6
323.18762	27.8
366.57034	6.2
477.10614	8.2
541.26483	20.3
670.28693	19.9
703.32111	7.5
721.34912	9.6
739.35779	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	793.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46777	0.7
59.01384	100.0
60.01707	1.2
61.89390	0.7
61.98832	3.5
66.04398	0.8
71.01378	1.6
71.24391	0.8
71.39900	0.8
79.68644	0.9
82.95437	2.8
85.00435	6.2
91.65132	0.8
96.96029	1.8
101.02463	1.3
103.01505	59.9
125.09628	0.9
130.87296	0.8
132.81358	0.8
138.97263	0.7
171.10275	3.0
197.11836	1.3
199.09740	2.0
201.11295	1.8
207.10249	1.7
225.11324	1.6
235.08185	0.9
249.18619	0.9
253.09325	2.3
263.16354	1.0
277.21759	12.9
278.22253	1.1
278.28934	0.9
291.19714	0.9
309.20731	2.2
508.04617	0.9
599.20752	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
57.73808	0.4
59.01384	19.5
61.98829	5.7
67.32577	0.5
69.03439	1.1
70.18654	0.5
71.01385	12.0
71.05011	1.8
72.11595	0.5
73.02943	3.4
80.02660	1.5
81.03455	1.7
83.01385	1.5
83.05032	6.2
84.02140	1.5
85.02959	2.8
87.00871	1.0
89.02448	7.8
95.01402	0.9
95.05063	2.7
97.02963	1.3
97.06577	2.3
99.00883	0.8
99.04537	2.5
99.08165	1.0
101.01822	0.5
101.02458	8.0
109.02969	0.8
109.06547	0.8
110.03716	0.9
111.04449	0.7
111.08118	0.7
112.05298	1.8
113.02479	4.3
115.07656	3.3
119.03490	2.0
121.02927	0.8
123.04516	1.5
123.08150	1.4
125.02452	0.8
125.06087	1.1
125.09743	7.3
127.07652	4.9
127.11222	1.1
129.07005	0.5
131.03485	0.7
135.08185	4.5
137.06262	0.5
137.09721	1.4
139.03943	0.6
139.07635	1.4
141.09192	0.9
143.03491	0.8
151.11311	0.6
153.09225	27.9
153.12791	0.6
154.09589	1.1
155.10817	2.4
158.01723	0.5
161.04588	2.8
163.11304	5.0
165.12849	3.4
171.10287	32.5
172.10567	0.9
178.09978	5.2
179.05605	2.5
179.10725	1.0
181.12312	1.0
185.11832	7.9
191.10779	3.2
191.14410	1.4
197.11838	10.3
198.12091	0.7
199.09752	0.9
201.11349	2.0
205.19699	0.8
207.10251	1.0
209.11839	76.7
210.12175	3.4
211.13472	0.7
219.13910	1.1
225.11388	0.6
227.12894	0.9
231.17645	0.8
235.08247	2.5
235.20711	0.6
236.10533	2.2
237.11215	0.6
238.12109	1.7
239.16501	1.3
245.19131	4.2
247.16980	0.8
249.18604	89.2
250.18915	5.0
253.09273	17.1
261.18820	0.6
263.20175	2.3
265.18179	1.1
271.16962	1.5
277.21860	2.5
279.19608	1.8
281.21310	1.0
289.18118	20.6
290.18347	1.4
291.19644	0.6
297.20773	2.3
305.56198	0.5
307.19165	100.0
308.19510	5.9
309.20834	1.1
325.20218	34.5
326.20529	1.8
336.23483	0.5
407.19302	1.5
474.20892	1.2
525.27026	7.0
526.27954	0.8
543.28156	27.6
544.28778	2.4
561.29224	5.0
573.59265	0.6
706.39191	3.5
707.40308	0.8
775.46362	14.2
776.47089	2.0
793.47095	5.1
794.47949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36274	0.4
55.79963	0.4
59.01373	3.0
60.99311	20.1
61.98840	4.6
71.01379	1.5
82.95432	1.0
84.95181	0.5
85.02941	0.5
88.98815	100.0
89.02429	0.8
96.96036	1.4
101.02467	0.9
116.92856	1.0
185.51576	0.4
211.27045	0.5
235.21193	0.5
248.35831	0.5
255.03165	0.8
283.02560	0.8
384.84311	0.5
511.81241	0.5
534.17590	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44125	0.4
59.01387	4.3
59.59609	0.4
60.18653	0.4
60.87975	0.4
61.98830	0.8
65.00341	0.6
71.01402	1.5
73.02969	0.5
78.78482	0.5
83.01385	0.7
85.02967	0.9
88.98822	0.4
89.02472	0.4
91.37674	0.4
93.03493	0.7
96.96089	0.4
101.02471	0.5
103.91615	0.4
107.01405	0.9
109.85400	0.6
110.20615	0.4
117.03530	1.6
129.01935	0.4
134.03731	0.4
134.06076	0.5
135.04550	0.5
151.00383	1.7
155.05078	0.6
159.04561	1.1
160.01759	0.5
161.02444	0.5
167.05038	0.5
171.04485	0.5
175.04070	0.8
178.99977	0.4
183.04538	4.0
199.03931	0.5
211.04008	3.1
227.03526	11.9
255.03006	59.5
256.03485	3.8
283.02502	100.0
284.03201	23.2
285.04050	23.4
286.04300	1.0
297.04099	0.9
299.02087	0.9
310.80368	0.5
381.06119	0.7
399.07083	1.4
436.36713	0.4
441.08221	1.4
445.07544	0.6
446.08551	13.7
447.08618	0.9
501.10422	19.4
502.10803	1.0
531.11493	0.9
579.13409	0.6
633.14636	30.1
634.15363	2.6
675.15894	0.8
677.25232	0.6
777.28497	0.8
795.19800	25.9
796.20819	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	795.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01379	3.3
60.89979	0.9
61.98840	3.3
71.01375	2.5
82.95449	1.8
89.04949	0.9
91.84886	0.8
97.02953	1.5
97.06635	1.1
100.76662	0.8
101.02439	0.9
109.06596	5.0
113.02470	0.9
113.09754	1.2
123.31953	0.8
134.76086	0.8
135.08237	1.0
163.11317	3.5
165.12874	2.4
181.12378	3.6
193.12451	1.1
195.13890	1.2
207.10294	12.1
209.11929	5.7
211.13416	3.0
221.15479	1.1
225.11377	7.3
227.12817	0.9
240.13730	1.9
247.20682	3.6
253.09306	2.1
260.14310	0.9
273.18668	3.1
281.21216	1.6
289.18127	1.0
291.19711	32.7
292.20114	1.3
307.19189	1.1
308.19589	1.5
309.20743	100.0
310.21152	3.8
404.56543	0.9
461.20197	1.6
474.96136	1.2
499.30801	1.3
735.39728	2.8
753.40674	4.8
760.69598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71698	2.8
59.00242	2.6
59.01123	2.9
59.01377	17.1
61.98825	11.0
69.42809	7.1
69.43211	5.0
71.01403	6.7
83.05025	4.2
87.00914	3.5
89.02448	6.9
89.77581	2.9
95.60999	2.8
97.02938	5.1
97.06531	3.1
101.02483	6.7
109.06602	33.4
110.03844	3.1
110.59367	2.6
123.08177	3.3
125.09712	5.3
129.63899	3.0
135.08154	5.5
161.04628	3.2
163.11299	20.2
165.12851	6.2
171.10312	5.5
181.12334	6.5
185.11861	5.3
193.15924	3.5
207.10292	74.6
208.10536	3.3
209.11819	21.7
223.13330	3.6
225.11356	33.9
247.20697	7.7
253.09293	15.6
273.18332	3.7
289.18143	5.2
291.19702	64.7
292.19955	5.0
309.20737	100.0
310.21030	10.7
345.20621	2.9
347.22269	3.6
443.58621	2.5
461.20361	9.6
471.57593	2.9
499.30765	5.1
514.20416	2.5
717.38312	4.8
735.39917	11.1
753.40594	41.5
754.40564	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
63.02401	0.6
65.00333	0.7
69.43261	2.1
71.01386	1.7
77.42014	0.4
83.01373	0.5
83.41789	0.4
88.98801	2.1
89.02431	1.2
93.03503	0.5
107.01421	0.5
113.02453	0.7
113.14251	0.5
125.02435	0.6
133.02930	0.4
134.03764	0.6
151.00346	2.1
158.31943	0.5
159.04576	0.8
160.01729	0.5
163.04070	1.0
178.99890	0.8
183.04544	1.4
185.06210	0.6
187.03983	0.7
205.05141	0.5
206.05841	0.5
211.04166	0.8
221.08287	0.6
223.06219	1.2
227.03528	17.6
228.03918	0.8
229.05019	0.6
239.03395	0.6
255.03003	37.8
256.03702	4.3
265.07190	1.7
283.02509	19.5
284.03278	33.3
285.04053	42.9
286.04443	1.3
289.10770	0.5
447.09668	0.7
489.10428	100.0
490.10620	2.6
491.19232	0.9
521.20563	0.7
617.24304	0.9
635.23694	1.8
797.28644	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	797.2159
Annotation	Kaempferol 3-glucosyl-(1->3)(4'''-acetylrhamnosyl)(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01385	19.3
65.00342	1.7
66.12332	1.0
69.29240	5.5
71.01387	9.8
73.02946	1.6
76.22285	1.0
82.83711	1.0
83.01383	2.7
85.02969	4.0
86.01134	0.8
89.02449	7.7
93.03497	1.3
99.10921	0.8
101.02462	4.9
107.01398	1.8
113.02477	4.3
117.03459	1.4
119.03535	2.3
134.03760	3.3
149.02417	1.4
151.00395	5.8
160.01686	2.1
160.04066	1.1
161.04530	2.3
161.13388	1.7
164.04843	2.7
164.30962	0.9
166.33981	1.0
169.06670	1.1
171.04652	0.9
175.04051	2.8
183.04605	4.8
187.03992	1.2
187.11285	4.4
193.05066	1.4
199.04063	1.5
205.12407	1.0
208.03775	1.9
211.04050	4.1
213.05553	1.2
223.06169	4.0
223.08308	3.7
227.03539	35.8
227.08298	1.6
228.03902	1.5
229.05084	2.0
239.03500	1.3
241.09807	2.5
249.11440	1.1
255.03004	100.0
256.03583	7.5
257.04617	2.2
269.04587	4.1
269.13098	2.4
272.08093	1.1
273.01230	1.0
283.02502	84.0
284.03290	85.7
285.04065	60.4
286.04416	1.8
303.13364	1.1
385.13477	1.9
429.08295	6.1
429.13443	1.0
430.09018	4.2
437.20694	1.1
455.19254	3.0
459.15268	2.0
489.10440	82.7
490.10687	5.2
591.13556	1.8
617.24451	10.5
635.23792	1.9
651.15735	75.4
652.16132	3.3
779.31366	1.2
797.32111	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	797.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
61.98845	1.0
62.00493	0.3
69.40598	1.1
69.40999	1.0
70.21593	0.4
71.01390	2.4
73.02933	0.4
85.02976	0.9
85.06171	0.4
85.72707	0.4
87.00866	0.4
88.98872	0.4
89.02453	1.5
96.96014	0.5
97.67705	0.4
101.02446	1.6
107.01363	0.7
107.27178	0.4
113.02443	0.9
117.03498	0.8
119.03480	0.4
119.05058	0.5
120.52871	0.4
120.71884	0.3
121.02958	0.7
134.03737	0.8
136.07661	1.1
137.96161	0.4
151.00354	2.1
161.02475	0.8
161.04575	0.6
162.44695	0.4
163.00368	0.6
165.01955	0.5
175.04037	0.9
179.03488	0.5
183.04552	1.3
183.84219	0.4
185.06097	0.4
193.05200	0.4
211.04047	1.3
223.08238	0.5
225.10980	0.4
227.03519	22.7
228.03918	0.5
255.03000	39.1
256.03687	3.9
257.04413	0.7
269.04529	0.6
283.02515	21.5
284.03284	37.7
285.04053	33.8
286.04248	1.2
327.05124	0.9
385.13181	1.2
447.08859	0.6
489.10419	100.0
490.10611	4.5
593.14984	0.6
617.24524	2.3
635.17566	0.4
796.40430	0.7
817.82458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.4
59.01388	6.0
61.98829	1.0
63.02390	0.6
65.00335	0.5
67.17930	0.4
68.08557	0.4
69.18695	2.1
71.01381	3.1
81.73710	0.4
83.01425	1.0
85.02943	0.9
87.00870	0.5
89.02461	2.1
92.22469	0.5
93.03481	0.9
101.02486	2.5
107.01414	1.1
113.02496	0.9
117.03500	0.7
119.03482	0.5
125.02441	0.8
136.07675	1.1
138.05623	1.4
143.03419	0.5
151.00404	1.9
152.71626	0.4
159.04517	0.5
161.02466	0.6
161.04504	0.4
161.13361	0.5
163.68369	0.4
164.11353	0.4
166.77760	0.4
174.03285	0.5
175.04103	0.8
183.04584	1.5
185.06068	0.5
193.05161	0.6
211.04121	0.9
223.08229	0.5
227.03523	23.8
228.03920	1.0
239.03500	0.5
242.91953	0.4
255.03021	46.1
256.03656	4.1
283.02521	23.8
283.05807	0.6
284.03302	38.5
285.04071	34.4
285.07388	0.8
286.04401	0.7
299.02060	0.5
328.18079	0.4
333.15747	0.6
350.26266	0.5
385.13400	0.7
430.86603	0.5
489.10446	100.0
490.10846	4.6
592.14233	0.6
617.25073	2.3
635.16162	0.8
796.40247	1.0
797.30731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	35.8
61.98825	100.0
80.36925	24.8
85.51418	24.7
99.51665	26.1
101.94267	23.9
120.63874	26.5
523.90320	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	797.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.8
59.01385	92.4
60.88688	1.6
71.01387	52.9
71.01792	2.5
72.99300	1.4
73.02953	10.0
83.01399	7.2
85.02960	15.6
87.00882	3.7
89.02450	34.3
95.01387	3.8
95.05045	2.8
96.96030	4.1
99.00903	4.7
99.04543	2.1
101.02466	35.6
111.00892	1.6
113.02459	18.9
119.03522	9.2
121.02976	1.9
131.03543	3.7
134.03743	5.2
135.04539	3.0
138.05571	1.6
143.03508	2.1
145.02986	2.2
147.04497	1.4
149.04576	4.2
149.06107	2.4
159.03020	1.9
160.01724	1.5
160.04041	5.5
161.04575	12.7
161.09760	3.2
161.13359	21.0
163.04070	1.7
175.03984	2.4
178.02760	2.0
179.03482	2.1
179.05675	3.4
187.11305	35.4
191.03773	1.8
191.05682	4.2
193.05132	6.4
205.12343	13.5
223.06194	4.6
223.08258	20.1
227.03531	8.3
231.10338	2.5
249.11192	2.0
255.02988	22.0
256.03366	2.3
265.07150	4.3
283.02481	17.5
284.03299	16.3
285.04053	19.1
286.04440	1.8
301.53433	1.5
325.09195	1.8
333.15421	1.8
345.66721	1.5
367.12601	3.8
385.13568	30.8
431.09631	2.0
455.19464	1.7
489.10474	13.2
573.25647	2.2
617.24518	100.0
618.25098	7.5
635.15649	3.8
635.24854	2.0
651.15851	18.7
652.15765	3.4
797.31042	62.5
798.31342	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	797.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.99930	1.4
61.27053	1.3
61.98835	2.8
98.21877	3.4
103.00410	3.3
103.01503	64.0
117.81792	1.3
220.66782	1.5
380.57275	1.6
819.75055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.38863	0.1
61.98832	100.0
71.01385	0.6
73.02968	0.2
75.92738	0.2
83.01411	0.4
85.02937	0.2
89.02451	0.4
89.46045	0.2
93.03493	0.4
101.02458	0.3
113.02444	0.2
134.03827	0.2
135.04585	0.3
151.00250	0.2
165.02025	0.2
175.04025	0.2
179.07204	0.2
193.05147	0.2
208.03806	0.2
211.04118	0.2
223.06206	0.4
227.03590	0.2
231.50508	0.2
255.02972	3.4
283.02493	8.0
284.03214	0.7
285.04074	1.3
446.08463	2.1
447.09207	0.2
573.13007	0.5
711.94031	0.2
735.17773	4.0
735.29456	0.3
736.04309	0.2
736.18262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19769	0.2
59.01371	1.7
61.98833	100.0
63.02402	0.3
64.46764	0.2
65.60549	0.2
67.24329	0.2
71.01393	1.0
73.02953	0.3
83.01380	0.5
85.02966	0.4
87.00916	0.3
89.02491	0.6
92.95534	0.2
101.00640	0.2
101.02466	0.8
107.01415	0.3
113.02415	0.3
121.02924	0.3
132.71097	0.3
149.60873	0.2
151.00427	0.5
183.04488	0.5
205.12294	0.3
211.04057	0.8
221.31340	0.3
227.03619	1.0
255.02982	10.2
256.03525	0.5
283.02496	24.5
284.03101	1.9
285.04037	5.1
285.06992	0.4
446.08408	2.9
528.07123	0.3
531.12128	0.4
573.12805	1.3
615.12445	0.3
665.71692	0.3
735.17828	16.9
736.17798	1.4
797.46747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.3
59.87627	1.1
61.98831	30.4
65.46383	1.3
69.19204	7.3
71.01383	3.9
84.95133	1.3
85.00460	1.8
85.02963	1.7
87.00887	1.7
88.98783	1.3
89.02454	2.1
93.39929	1.2
98.21803	1.7
101.02447	2.8
103.01466	1.5
107.37000	1.1
121.02946	2.3
124.23667	1.0
146.20270	1.1
151.00357	2.8
155.46515	1.3
159.69081	1.1
164.06633	1.0
195.12927	1.2
199.04031	2.1
227.03502	4.2
243.02939	2.9
255.02905	2.2
271.02487	50.1
272.02798	2.4
284.03162	1.4
285.03946	1.2
299.01981	100.0
300.02365	4.5
301.03540	4.0
308.69980	1.3
529.10382	2.1
530.10693	25.6
531.11157	3.8
537.31317	1.3
693.16248	1.6
735.17828	64.8
736.18060	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	799.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
63.02439	0.6
65.00331	0.8
69.67068	0.8
71.01392	1.7
74.29317	0.6
82.03003	2.1
83.01427	0.8
85.02963	0.5
89.02473	0.6
98.21912	0.7
100.04044	0.9
101.02478	1.3
104.49847	0.7
107.01409	1.8
109.02989	0.8
111.00893	0.6
113.02367	0.5
115.00394	1.1
116.92849	3.5
119.05058	2.2
121.02993	1.4
133.01459	3.9
133.03000	0.8
134.03769	0.9
147.00763	0.5
149.04442	0.6
151.00372	5.5
160.04074	0.8
163.04021	3.3
166.13670	0.5
175.00391	1.3
175.04086	0.9
178.99905	2.2
191.05670	2.2
193.05119	1.0
197.06038	0.9
199.04005	2.9
203.03590	0.8
215.03596	1.3
221.93745	0.5
227.03545	2.1
242.02206	0.6
243.03000	3.9
248.09329	2.1
255.02931	5.4
255.12630	0.9
271.02509	54.4
272.02911	2.1
284.03049	0.7
285.04010	0.7
299.01996	100.0
300.02756	30.1
301.03531	21.7
309.08096	0.6
371.90680	0.5
448.93234	0.6
461.07010	1.2
462.08102	16.8
463.09076	3.3
466.21069	0.6
505.09512	0.8
577.11768	0.9
595.12543	0.6
637.14136	46.7
638.14716	2.4
669.45526	0.6
721.95142	0.6
799.19397	37.6
800.19983	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	799.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21152	0.5
59.01384	3.5
65.00340	1.0
65.76003	0.5
69.15046	0.5
70.60043	1.2
70.99863	0.5
71.01385	1.3
83.01419	0.6
85.02956	1.7
87.00892	0.7
89.02479	1.8
93.03487	0.7
96.96007	0.5
97.40814	0.5
101.02435	1.7
107.01404	1.7
109.02993	0.6
130.94402	0.5
131.03516	1.0
133.02986	0.7
145.03056	0.6
149.04533	0.7
151.00352	4.1
157.02899	0.5
171.04514	1.0
175.00404	0.6
175.04022	1.0
178.99931	1.6
187.04091	0.6
189.05737	0.6
191.05615	9.9
199.03961	3.0
201.01942	1.2
215.03532	1.9
226.02660	1.0
227.03542	3.9
242.02248	0.9
243.02992	5.3
244.03398	0.7
255.02985	5.3
271.02493	61.8
272.02859	2.2
284.03314	0.6
299.01981	100.0
300.02710	28.4
301.03519	6.8
312.02921	0.5
337.09326	2.0
432.42691	0.7
461.07272	0.6
462.08041	16.7
463.62701	0.6
505.10132	2.4
530.34210	0.6
577.12122	0.9
594.12067	0.7
637.14105	31.7
638.14838	2.5
646.01740	0.6
799.19458	28.7
799.34546	1.5
800.19299	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	799.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67546	0.5
59.01384	8.3
61.98835	13.3
62.78812	0.5
71.01395	6.6
73.02947	0.9
83.01376	0.8
84.95118	0.6
85.02946	2.0
89.02438	3.5
101.02435	3.4
103.84881	0.5
111.00865	0.6
112.98573	0.5
113.02448	2.5
114.93423	0.7
117.03468	9.7
119.03522	1.8
119.05027	6.0
122.03531	0.5
123.04559	0.7
132.02193	9.6
133.02965	9.3
134.03751	10.6
135.04533	12.9
145.02960	34.3
147.04518	0.7
148.05331	0.6
149.06096	2.2
160.01671	47.0
161.02457	33.3
162.02795	0.9
163.04027	4.9
165.05629	0.6
175.04008	59.6
176.04608	3.1
178.02705	1.8
179.03502	2.6
191.05693	0.6
191.07201	3.0
193.05078	7.5
205.05206	0.6
207.06645	0.9
235.06134	2.8
255.02953	1.3
256.03354	0.5
271.02417	0.5
283.02539	1.6
284.02966	1.0
285.04260	0.6
297.09781	0.9
307.08249	28.1
308.08633	1.1
315.11005	4.1
491.15610	100.0
492.15924	7.5
685.39856	0.9
708.84961	0.6
746.85889	0.6
799.24573	10.9
799.38513	0.9
800.25171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
59.01383	30.9
60.99291	1.8
61.98835	16.3
69.03458	1.3
69.22581	7.9
71.01393	25.1
72.99323	1.8
73.02963	6.3
75.29837	1.6
83.01402	4.3
83.48662	1.5
85.02939	11.4
87.00883	41.0
87.01383	2.5
87.16270	1.2
88.98809	3.9
89.02451	12.9
93.03488	2.8
95.01374	1.6
96.96084	1.3
97.44978	1.2
99.00883	1.6
99.04556	1.6
101.02454	13.3
111.00894	5.8
113.02453	7.8
119.03519	4.8
121.03000	3.4
122.03760	2.7
123.04509	6.5
125.02429	2.1
128.90173	1.8
129.01982	2.1
130.99889	10.1
131.03493	1.8
134.03766	2.0
135.04526	4.0
136.05360	1.3
145.02942	1.9
146.03737	8.0
147.04559	2.3
149.06104	2.2
151.04065	1.6
159.04517	5.2
160.01717	2.4
160.04053	6.7
160.05293	3.0
161.04463	4.1
161.06104	4.5
161.13416	1.7
162.03331	1.9
163.04097	2.7
165.05612	3.0
173.06107	4.0
174.03230	3.4
174.06929	2.4
175.04005	3.1
175.07658	5.5
186.06813	2.9
187.07599	3.0
187.11287	3.8
188.04826	3.4
191.05577	2.4
193.05109	3.9
201.05695	1.4
201.09415	1.3
205.12277	3.8
216.04109	1.6
253.03522	4.4
253.09480	2.1
254.04330	3.5
255.05119	5.1
259.13504	2.5
271.13403	17.8
273.14954	1.7
283.13342	2.9
285.04208	1.7
285.15036	2.8
287.16525	3.7
288.13705	2.2
289.14505	9.6
297.14969	6.5
299.02084	2.2
301.14270	3.6
303.16034	2.7
313.14471	1.5
315.16049	2.4
317.13840	2.0
331.15576	3.5
395.22229	3.5
413.23474	7.3
423.21927	2.4
431.24380	5.1
561.98822	1.5
619.31250	12.9
668.16895	1.9
737.34735	1.7
739.32007	4.2
763.31860	1.9
799.32971	100.0
800.33844	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	799.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98840	10.7
69.82977	1.6
75.00919	0.9
78.95925	0.7
79.80408	0.5
91.61640	0.5
103.00410	2.5
103.01507	57.8
257.05777	0.5
260.77255	0.5
292.04651	0.6
395.54379	0.5
403.51163	0.6
472.99008	0.6
516.71112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81480	1.0
57.03455	2.2
59.01387	86.4
61.98843	11.9
71.01393	22.3
72.12093	1.1
73.02949	5.8
76.13149	1.0
83.01395	3.9
85.02972	9.3
87.00889	3.2
89.02445	7.6
91.43150	1.1
95.01427	1.8
97.02966	1.4
99.00895	1.8
101.02448	11.3
111.00880	4.3
113.02469	7.2
119.03552	2.2
121.02944	2.7
131.03477	1.3
143.03465	1.1
161.04602	2.0
166.31697	0.9
207.05550	1.3
209.11832	1.1
221.06612	2.1
280.51163	1.1
367.51233	1.0
439.32544	1.3
442.42706	1.2
457.32965	2.1
587.99951	1.2
619.38043	2.9
660.25214	1.4
696.26569	4.3
743.41528	2.4
781.43512	5.5
799.44958	100.0
800.45337	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	800.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01724	0.5
61.98834	3.5
63.43333	0.3
71.01397	0.5
87.37635	0.3
96.96015	1.8
121.02975	4.8
207.10228	0.3
209.11870	0.4
698.26233	0.4
758.31244	0.3
799.44983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69916	0.2
59.01384	100.0
60.01733	0.4
61.98837	1.1
63.16880	0.2
64.82057	0.3
66.91613	0.3
69.63418	0.8
71.01396	0.4
75.66441	0.2
89.02439	0.3
93.77148	0.3
98.21963	0.5
101.02489	0.4
113.25204	0.3
121.02965	4.3
181.45264	0.3
377.37048	0.3
543.55847	0.3
550.81396	0.3
801.46991	0.8
829.35785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01706	1.0
61.98834	26.1
63.38560	0.7
64.20633	0.5
71.01387	1.8
71.45161	0.9
76.13266	0.6
83.18819	0.6
85.02982	0.6
87.00898	2.6
89.02467	0.7
96.96075	0.6
99.00910	0.5
101.02449	5.5
121.02995	1.1
122.03754	0.9
123.04588	0.7
130.99910	1.7
131.32259	0.6
159.54077	0.6
723.22675	0.7
799.45660	0.8
800.33649	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	800.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.6
61.98839	1.0
67.01900	7.2
69.21515	1.4
71.01387	0.6
83.01384	0.8
85.02965	4.2
88.92504	0.2
90.13750	0.2
101.02415	0.3
102.74665	0.2
111.00897	100.0
112.01232	0.7
116.92872	0.2
121.02969	3.2
129.01958	2.4
136.98827	0.3
154.99919	1.6
173.00931	2.0
213.44681	0.2
311.14215	0.2
367.15936	0.3
697.26776	0.3
712.36713	0.2
800.34760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.7
61.98836	0.6
67.01894	6.1
69.21762	1.5
69.22173	0.6
69.26027	0.3
71.01391	1.1
85.02956	80.5
86.03289	0.7
89.02464	0.6
95.01392	0.4
103.93018	0.3
107.01629	0.4
111.00890	100.0
112.01229	1.3
113.02431	0.6
121.02971	8.1
125.94062	0.4
127.69756	0.4
129.01950	6.9
130.04192	0.4
135.73660	0.3
145.06596	0.9
161.02373	0.4
174.22964	0.3
175.04077	0.4
189.87782	0.4
412.20926	0.4
430.22180	0.5
446.21750	0.4
448.23523	1.0
472.23883	0.5
476.23126	1.1
490.24557	5.9
491.24197	0.4
498.46506	0.4
508.25598	1.0
521.79669	0.4
756.32312	7.4
757.33203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61167	0.2
59.01389	6.3
61.98838	100.0
62.06876	0.2
70.64127	0.4
71.01397	1.2
73.02985	0.3
83.17422	0.3
85.02986	0.5
87.00889	0.4
88.98825	0.3
89.02462	0.8
96.96041	0.4
101.02468	1.1
105.29168	0.3
113.02420	0.4
348.21545	0.3
617.38690	0.3
799.45911	0.5
800.45270	1.7
801.45972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	44.3
62.60318	0.6
71.01385	1.8
73.02942	0.8
77.75266	0.6
85.02961	0.8
97.76518	0.7
101.02454	0.9
113.02455	0.9
116.92864	1.7
121.02996	1.5
125.02383	0.9
134.03725	0.9
135.04544	1.0
137.02472	4.3
147.80539	0.6
149.02464	1.3
151.00392	4.2
160.04106	0.7
161.04573	2.7
163.03957	0.9
166.02719	23.6
167.03511	1.1
175.04005	1.4
177.01897	1.6
177.05502	0.8
181.05081	41.9
185.07954	0.6
193.05089	0.8
205.08656	1.0
207.76251	0.7
260.78821	0.6
271.02786	0.7
341.10175	0.8
357.13428	1.1
359.11288	1.3
387.10825	9.2
402.13184	10.8
403.14020	0.9
417.15561	100.0
418.15897	5.6
486.86926	0.8
556.69531	0.7
579.21008	1.2
733.86993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01713	2.0
61.98838	8.3
63.79102	1.5
69.76317	4.5
71.01386	17.5
72.76061	1.2
72.94633	1.2
79.24358	1.2
82.95428	1.5
83.01398	1.9
85.02950	4.9
85.73887	1.3
87.00867	1.4
89.02444	13.9
95.01383	1.6
96.96016	7.8
101.02451	9.1
106.06625	3.1
111.00890	1.5
113.02457	7.0
116.92871	1.3
119.03517	3.7
121.02938	2.0
122.06135	3.3
134.06145	28.7
135.06458	1.4
152.07175	3.9
171.10356	2.0
200.54547	1.5
205.23842	1.3
218.14973	1.6
340.10925	1.6
354.12509	4.8
356.14023	3.2
357.14755	1.8
366.12833	1.8
367.09509	2.4
368.14191	3.6
370.15601	6.1
372.17215	1.8
380.09872	1.7
382.11862	5.9
383.12753	6.1
392.65622	1.6
396.13312	2.6
398.10190	2.2
398.15054	27.0
399.15289	2.7
410.15112	9.8
545.21753	1.9
646.35693	1.5
684.27698	2.6
697.27173	2.0
725.28326	60.3
726.28815	5.2
757.30853	14.0
769.27698	11.8
770.27893	2.6
801.29645	23.5
801.44879	3.4
802.30524	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	801.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.0
59.01384	18.0
61.98837	18.0
65.64179	1.5
69.03461	6.3
71.01394	13.3
71.05032	3.8
73.02980	2.2
75.00910	2.0
78.60458	1.6
81.03497	1.7
81.49723	1.7
83.01407	2.8
83.05025	4.6
84.95145	1.9
85.00420	2.0
85.02940	4.4
89.02467	4.7
95.05032	1.9
97.06594	3.0
98.22634	5.7
101.02464	6.9
107.05029	2.7
109.06565	1.8
111.60311	1.7
113.02450	3.0
113.18845	1.7
118.10217	1.5
121.02981	1.8
123.08177	2.8
125.06149	3.3
125.09735	10.8
126.32429	1.7
128.60141	1.5
135.08205	3.1
148.46867	1.6
151.11307	6.5
153.09215	5.1
153.12889	3.1
161.09772	5.7
163.11307	4.5
171.10336	6.2
177.09119	1.7
179.10799	12.6
185.11899	6.6
191.10765	2.4
197.11845	100.0
198.12192	4.0
207.10283	4.5
208.42009	1.6
209.11850	32.5
210.12198	2.1
213.11539	1.9
215.12886	2.8
225.11310	5.0
235.08095	4.0
236.10487	1.7
241.10869	9.7
253.09270	7.8
261.18619	2.2
277.18304	2.8
286.80780	1.7
287.16644	4.4
305.17596	22.7
317.17551	3.3
323.18408	3.1
459.18597	2.9
477.19751	7.7
485.29361	2.1
541.26959	2.8
578.72827	1.9
659.28973	3.2
765.37152	7.7
783.38086	26.5
784.38458	3.8
801.42310	7.6
823.66400	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	801.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.3
61.98830	13.0
70.64785	2.6
71.01396	5.2
74.23292	2.1
80.02715	2.1
83.05043	8.0
89.02460	3.6
93.59539	1.9
96.96009	1.9
101.02468	3.7
107.05070	2.4
113.02467	2.2
125.09734	3.5
129.75171	1.8
132.54204	2.4
135.08218	4.3
153.09250	2.8
163.11288	4.3
165.12900	2.0
188.61911	1.9
191.10828	2.8
192.42294	1.8
197.11864	7.7
207.10306	4.9
209.11852	100.0
210.12138	4.3
227.12943	15.5
235.08089	2.1
253.09311	7.6
269.15564	1.9
276.20779	1.9
287.16516	5.2
305.17575	27.3
323.18600	6.9
541.26630	10.0
733.38025	6.7
751.39331	17.0
752.38599	2.1
769.40265	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	801.4651
Annotation	Tarecilioside D
Peak:m/z	Relative Intensity
57.03450	2.6
59.01387	100.0
60.01728	4.6
61.98833	2.2
69.39733	4.5
71.01393	16.0
71.04575	1.1
73.02959	6.2
83.01399	3.4
85.02957	10.3
87.00886	2.1
89.02461	4.1
95.01400	2.4
97.02975	1.1
99.00912	1.7
101.02461	12.5
103.01546	1.3
107.04974	1.0
109.06583	1.2
113.02480	5.1
119.03535	1.4
121.02976	3.5
142.00078	0.9
157.39925	1.0
161.04604	0.9
208.18791	0.9
313.21655	1.1
441.33450	1.1
459.34637	1.1
621.40308	4.2
639.41144	1.3
745.43848	1.5
783.45245	4.0
784.72046	0.9
801.46539	98.5
802.46588	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	801.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
59.01384	40.3
61.98836	100.0
69.03481	0.9
71.01392	23.2
72.99339	1.1
73.02959	7.4
83.01403	4.6
85.02950	10.8
87.00872	2.8
89.02450	8.3
92.92845	0.8
95.01403	2.3
96.96018	1.8
99.00891	3.1
101.02451	15.1
103.00368	1.1
103.01497	7.9
113.02461	8.8
116.92839	1.2
119.03477	2.0
120.42804	0.8
121.03016	1.0
122.84059	0.7
125.02448	1.0
161.04593	3.2
187.11311	1.0
197.11818	1.3
209.11877	1.2
221.01227	0.8
321.26575	0.9
379.20197	1.1
398.88629	0.8
696.01501	0.9
712.62903	0.9
757.47162	1.4
801.46625	45.2
802.46497	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	802.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59268	0.4
59.01384	6.3
61.98834	6.9
63.02415	0.8
65.94186	0.4
69.05806	3.5
71.01376	2.4
73.02937	0.6
83.01402	0.8
83.37318	0.4
83.69316	0.4
85.02969	2.5
88.98834	1.3
89.02466	2.0
92.57932	0.4
93.03471	0.8
93.96280	0.4
94.36510	0.5
94.45659	0.5
96.96037	0.7
98.22594	1.1
101.02468	1.6
107.01396	1.4
111.00885	1.1
113.02470	1.0
116.92869	0.7
117.03483	1.7
129.45924	0.4
134.03729	0.6
151.00378	1.1
155.05006	0.8
158.56465	0.5
159.04559	1.4
159.46953	0.5
160.04099	0.5
171.04588	0.5
175.04066	0.7
182.03622	0.6
183.04509	5.7
185.02478	1.7
187.11237	0.5
211.04019	4.3
227.03560	3.9
239.03624	0.6
255.03001	52.3
256.03271	3.1
283.02505	100.0
284.02899	5.0
285.04083	5.0
413.13956	0.5
443.14355	0.5
501.10425	3.8
584.14154	1.3
585.14929	31.5
586.15033	2.5
621.32776	1.0
622.33527	0.8
665.17010	0.6
801.43890	1.4
802.22064	24.3
803.22681	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	802.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77241	0.6
59.01385	100.0
60.01730	1.0
61.98837	11.1
69.24625	0.8
69.24895	3.0
71.01400	1.6
74.50160	0.5
75.00896	2.9
87.00909	0.6
89.02492	0.6
94.98116	0.7
96.96033	3.6
98.22733	0.5
101.02469	1.3
103.00503	4.7
103.01508	55.2
103.04039	0.9
104.01919	0.6
106.41638	0.6
116.92875	0.7
126.05312	0.6
171.10275	0.8
250.18332	0.6
255.03111	1.0
255.09924	0.6
283.02698	1.6
388.34122	0.6
514.11664	0.7
537.92969	0.7
802.46271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.2
67.01900	6.9
68.57120	0.5
75.84321	0.5
85.02958	56.3
97.60899	0.6
111.00892	100.0
112.01207	1.3
112.09512	0.5
113.02514	0.5
121.02142	0.9
121.02959	7.8
129.01987	3.9
135.04581	2.7
145.06635	0.7
147.07726	0.5
179.03523	2.1
267.74536	0.5
278.42883	0.5
420.20374	2.1
474.21402	5.2
547.90674	0.7
554.31348	0.6
648.62878	0.7
758.30396	5.3
759.30164	0.6
802.36615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27475	0.2
59.01386	2.8
61.98837	1.6
67.01530	0.3
67.01894	6.8
69.08167	1.3
71.01381	1.6
72.99304	0.2
73.02962	0.3
75.00879	0.2
75.01447	0.2
83.01388	0.8
85.02950	3.3
88.09228	0.2
88.98818	0.4
89.02459	0.9
96.96037	0.2
98.21781	0.4
101.02448	0.6
104.03464	0.2
105.02007	0.3
107.81263	0.2
111.00892	100.0
112.01246	1.6
113.02467	0.4
116.92856	0.4
118.66502	0.2
121.02963	3.4
129.01956	1.4
134.03746	0.3
135.04518	0.7
154.99884	1.7
165.05605	0.2
171.10242	0.6
173.00996	1.3
175.04073	0.3
179.03546	0.3
187.11328	0.6
205.12329	0.5
255.02965	0.5
283.02478	0.8
327.02112	0.2
362.27063	0.2
416.20822	0.2
621.33514	0.3
622.33112	0.7
802.39526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98837	100.0
72.07539	0.3
82.95896	0.2
96.96004	0.3
107.98370	0.2
117.68594	0.2
148.24576	0.2
162.84251	0.2
170.95096	0.3
171.10362	0.2
180.35732	0.3
197.11902	0.4
209.11938	0.5
220.72684	0.2
271.34146	0.3
291.19537	0.3
335.27072	0.3
594.83710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73192	0.4
59.01387	9.0
61.01810	0.6
61.36350	0.4
61.98837	100.0
65.27586	0.4
69.05593	1.8
69.06000	1.6
71.01403	1.6
89.02480	0.6
96.96013	3.6
99.00885	0.6
101.02437	0.6
103.01524	0.5
107.68223	0.5
114.28430	0.4
121.03004	0.5
124.74590	0.5
158.23578	0.4
171.10248	1.1
197.11847	0.6
202.54774	0.6
207.10335	0.8
225.11398	1.0
539.09412	0.5
623.42395	0.6
640.41779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.5
59.01384	24.4
61.98824	0.5
69.14809	2.5
71.01389	9.4
73.02946	1.0
80.05048	1.5
82.95442	0.5
83.01378	1.0
84.44088	0.4
85.02962	2.8
85.03410	0.6
87.00875	0.6
87.45259	0.5
89.02454	7.1
94.06587	0.6
95.01369	1.0
96.96018	6.2
101.02456	5.0
104.05048	0.7
106.06628	4.1
113.02475	3.0
119.03493	2.0
120.04537	1.2
120.08209	0.8
121.05318	1.5
122.06135	6.1
124.54812	0.5
132.04567	1.6
134.06136	19.9
134.46484	0.5
151.82675	0.5
152.07156	2.3
160.04022	0.9
160.06419	3.2
174.05620	1.4
190.05081	1.9
197.07266	0.5
213.10335	14.0
214.10576	0.7
223.08714	0.5
225.10277	1.4
226.11131	1.5
235.08728	0.6
236.09708	0.5
239.11911	6.5
241.13463	7.8
242.13617	0.5
249.10373	0.7
251.11894	2.2
253.13309	0.5
265.09677	0.8
267.11380	0.5
277.09833	1.2
278.10568	0.7
285.12466	19.0
286.12769	0.7
293.12918	1.4
305.09244	1.4
307.10992	0.6
309.72580	0.5
314.12607	0.7
316.14465	0.9
327.10291	0.6
328.10956	1.0
330.12393	0.6
330.16101	0.7
331.17230	0.7
337.11874	2.1
340.14523	1.5
342.12479	1.2
343.13257	1.9
344.13934	1.3
355.13080	0.5
356.13977	2.0
356.17679	1.2
357.14816	1.6
358.15652	5.3
359.15790	0.7
368.10202	1.1
369.14584	1.0
370.11871	1.2
370.15674	1.5
372.17084	1.4
378.76797	0.5
382.15628	0.8
383.12552	1.0
384.13187	3.4
384.17691	0.8
385.14023	1.0
396.13504	1.3
397.14301	1.8
398.14990	3.8
399.15652	0.6
400.16791	5.2
401.17160	0.6
412.16623	4.5
414.54184	0.6
426.14490	1.5
438.14697	1.0
444.15576	1.5
476.18042	0.6
505.22537	0.9
517.18262	1.2
545.22241	0.9
547.23792	0.6
563.23041	0.6
573.20831	0.7
591.22534	0.7
659.31189	0.7
685.28998	0.9
727.29669	5.0
728.29388	0.7
743.30048	2.0
753.27759	1.1
771.28864	100.0
772.29242	14.0
803.31598	17.6
803.47217	1.9
804.31512	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	803.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	43.4
61.98832	11.4
69.15852	8.9
71.01083	1.5
71.01387	16.6
72.99352	1.4
83.01382	2.6
85.02957	4.8
89.02454	15.8
95.01368	1.4
96.96009	4.9
101.02467	11.0
106.06615	5.2
113.02435	6.0
116.92844	1.6
119.03522	3.6
122.06137	9.7
127.39078	1.5
132.04523	2.6
134.06129	33.6
135.21486	1.5
143.45267	1.4
146.69568	1.3
148.04092	2.1
152.07133	3.3
160.04088	2.0
160.06377	3.0
174.05687	2.3
190.05048	2.4
213.10332	19.6
223.08644	1.4
225.10158	2.1
226.11093	1.7
227.11823	2.3
239.11880	15.4
241.13470	8.2
251.11937	4.1
268.36813	1.6
277.09882	2.1
285.12457	24.2
314.12616	2.0
316.14508	1.9
328.10852	3.7
337.11838	2.1
340.14597	2.1
343.13177	4.0
344.13895	3.5
356.13910	3.1
357.14743	3.8
358.15646	11.9
364.46674	1.6
370.11639	2.7
370.15726	2.6
372.17319	2.9
384.13446	8.0
384.17670	2.1
385.14200	2.1
396.13330	1.9
397.14258	2.1
398.14856	3.8
400.16687	12.0
410.20804	2.2
412.16690	6.8
431.37723	1.5
475.17331	3.3
491.20383	1.6
517.17755	2.0
565.02399	1.5
659.32086	2.2
683.29883	2.3
685.29053	4.7
727.29865	18.9
728.30280	2.5
730.29358	2.6
743.29413	3.0
771.28894	100.0
772.29236	10.0
803.31354	50.1
803.43951	5.0
804.31726	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	803.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	42.5
61.97654	1.1
61.98838	13.1
71.01390	17.4
73.02950	3.7
80.05094	1.4
82.95428	2.3
83.01377	2.3
85.02962	6.2
87.00879	1.9
88.98807	1.3
89.02464	10.2
93.08823	1.0
95.01413	1.7
95.02193	1.3
96.74971	1.2
96.96025	13.4
99.00884	2.3
101.02460	13.0
105.52353	1.0
106.06631	2.8
111.00874	4.7
113.02480	7.0
119.03512	4.1
121.02976	1.5
121.05312	1.5
122.06167	9.3
132.04610	1.6
134.03708	1.8
134.06142	19.6
152.07124	2.6
154.99901	1.7
160.01630	1.5
160.04045	2.6
160.06482	3.2
167.32588	1.3
171.10280	1.8
174.05624	1.7
175.04008	2.2
190.05113	1.7
191.05627	1.3
213.10358	14.4
225.10419	1.8
226.11197	1.8
239.12010	5.8
241.13559	8.3
247.08731	1.1
251.11839	1.4
255.03000	1.7
256.03415	1.2
277.09769	2.1
283.02567	4.2
284.03165	2.0
285.03964	2.1
285.12460	19.9
293.12973	1.6
305.09280	1.8
314.46570	1.4
328.10757	1.8
337.12128	2.0
342.12485	1.7
343.13092	1.7
355.13303	1.2
357.14758	1.6
358.15591	4.9
369.14792	1.7
370.11920	1.6
381.23291	1.4
382.11658	1.5
382.15869	1.6
384.13400	2.6
384.17508	2.6
396.13641	1.9
398.15228	3.5
400.16568	5.0
412.16705	5.3
426.14667	1.5
444.15790	1.9
444.30255	1.4
498.95178	1.2
545.21552	1.5
623.33997	1.6
641.39294	2.5
685.28821	1.4
727.29797	4.2
743.29681	1.9
771.28912	100.0
772.16571	2.0
772.29358	15.3
785.39539	4.3
802.45306	3.6
803.31573	20.7
803.45203	7.6
804.31567	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	803.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01385	9.7
61.98829	6.9
65.49394	1.2
69.03453	5.6
69.75082	2.6
69.75446	2.3
71.01391	5.9
71.05022	1.5
80.02663	1.1
84.77155	1.1
89.02460	2.6
95.04993	1.4
97.02975	3.2
97.06606	1.6
98.22585	1.6
101.02460	4.6
113.02470	2.4
123.08223	1.3
125.09739	4.9
127.25684	1.2
137.09714	1.9
148.87630	1.1
151.11263	1.9
153.12833	1.6
161.09726	4.5
163.11307	3.1
171.10297	2.5
179.10826	9.3
185.11853	4.6
191.14395	3.5
197.11844	56.4
198.12169	2.5
207.10225	3.0
209.11749	1.5
223.09790	2.1
223.13353	2.0
225.11353	3.6
235.08322	1.2
241.10805	3.0
245.19131	5.7
253.09302	2.8
289.18146	13.4
307.19226	8.1
377.08331	1.1
477.20148	1.6
516.13257	1.1
667.44916	1.3
723.39899	1.3
749.39038	2.3
767.38690	100.0
768.39197	15.2
803.36407	15.4
804.36633	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	803.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.0
59.49652	5.2
61.98837	100.0
71.01369	11.5
78.95901	23.8
88.98801	8.6
89.07092	5.5
106.90842	5.6
117.18635	5.6
125.09734	7.9
151.07562	6.7
152.99554	10.2
153.98386	5.1
155.10835	6.5
171.10286	26.4
181.08644	5.8
199.09790	23.0
207.10246	6.2
209.11789	14.1
223.09764	27.8
225.11354	15.2
235.08328	6.9
245.19098	7.8
253.09251	15.3
289.18011	25.9
305.17343	8.9
307.19128	52.4
654.97852	7.0
662.14252	6.4
707.35791	11.6
731.36322	8.9
749.37543	24.7
767.38721	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	803.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.1
57.39476	3.3
59.01377	23.4
61.98836	100.0
71.01385	37.4
71.40323	4.1
73.02932	4.6
75.00884	4.9
76.25844	3.0
85.02962	5.5
87.00868	11.6
89.02446	6.8
95.01435	4.5
95.05036	4.2
97.02937	3.7
97.06592	9.7
99.00913	4.0
101.02455	8.5
107.05019	3.8
109.06596	4.4
111.08168	3.8
113.02444	6.7
123.04546	4.3
125.06097	6.1
125.09740	9.1
127.11274	3.3
139.07664	12.3
143.07108	4.7
155.07161	8.6
155.10728	4.5
163.11377	7.7
166.17668	3.1
166.97505	3.5
167.10922	3.9
169.08675	4.6
171.10281	63.3
177.05589	7.7
185.11839	4.1
197.11861	12.9
199.09772	11.6
201.11351	60.9
207.10214	18.4
209.11847	60.1
210.12256	4.5
225.11331	30.0
227.12897	6.7
235.06139	3.8
235.08311	11.4
243.12196	4.2
253.09265	19.4
303.15997	3.9
305.17532	12.1
314.40161	4.1
341.23288	8.3
348.94980	3.6
356.92422	3.4
437.20520	4.2
454.40198	3.8
461.20569	6.4
622.33411	4.0
645.31580	4.9
659.32721	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	803.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
59.01388	23.0
61.98837	100.0
62.70790	1.4
69.03463	2.2
70.39614	3.4
71.01391	27.3
71.05031	2.4
72.99297	1.4
73.02974	1.9
75.00866	1.6
81.03498	2.0
82.95408	1.5
83.01404	2.6
83.05027	1.5
85.02951	5.5
87.00895	15.7
87.04503	1.8
89.02458	9.2
95.01392	1.6
95.05009	2.2
96.96015	1.6
97.02947	4.3
97.06577	4.1
99.00890	100.0
101.02457	9.6
107.05011	1.9
109.06571	6.8
110.03741	2.1
111.00902	1.6
113.02455	6.1
116.92879	2.0
119.03517	3.1
123.04510	2.1
123.08177	3.6
125.02505	1.7
125.06114	2.7
125.09707	10.3
127.07672	2.8
129.01956	2.2
133.79901	1.5
133.80913	1.3
135.08174	1.9
136.05356	1.5
147.62845	1.4
151.11270	3.3
153.09113	2.8
153.12798	1.8
161.04535	2.6
161.09703	2.6
163.07666	1.6
163.11290	13.9
169.12361	4.8
171.10306	18.3
179.05611	1.6
179.10788	6.9
181.12350	18.0
183.13968	1.6
185.11794	5.1
191.10760	1.8
197.11852	48.7
198.12117	2.4
199.09761	1.4
199.13408	11.1
201.11383	2.7
207.10283	36.5
208.10548	1.6
209.11842	26.7
215.12914	7.9
225.11343	49.3
226.11575	1.6
227.12936	4.4
235.08162	3.7
236.88016	1.7
239.12943	2.5
241.10782	3.2
243.12384	35.4
253.09253	8.0
270.36523	1.4
279.19788	1.8
287.16837	1.5
289.18259	2.9
305.17526	7.9
307.19208	13.0
308.52896	1.6
317.16068	1.7
325.20203	4.1
341.23407	1.8
397.13589	1.9
461.20370	6.7
477.19821	2.1
479.21414	22.5
541.26660	2.5
543.27887	1.7
623.41925	3.2
633.30963	5.1
661.31207	2.2
663.32239	2.1
687.32452	1.9
748.00043	1.6
767.39191	11.7
785.39526	17.5
786.40576	2.0
803.40833	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
61.98835	100.0
68.30341	1.1
71.01402	2.2
80.02659	0.9
83.05048	2.8
88.98780	1.2
89.02452	1.6
98.22525	0.9
101.02469	2.8
104.46976	0.8
104.73534	1.0
109.26364	1.0
119.03481	1.1
125.09711	1.0
135.08173	1.5
153.09201	4.0
163.11298	2.8
169.12376	4.7
171.10248	8.8
185.11874	1.4
191.10692	1.1
197.11835	3.1
201.11267	1.0
209.11847	48.3
210.12195	1.1
225.11293	1.5
227.12975	5.5
235.08307	1.5
239.84294	1.0
245.19128	1.0
253.09317	3.5
289.18088	2.1
297.20764	1.0
307.19153	13.9
325.20236	8.2
398.74237	1.0
405.78073	1.0
466.91092	1.4
483.89926	1.0
525.26276	1.6
543.28156	4.0
561.29144	1.6
735.39740	1.7
753.40668	2.5
754.40765	1.1
771.42950	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.3
58.00593	2.5
59.01384	100.0
61.98834	34.0
69.07284	18.0
71.01389	69.7
72.99316	3.2
73.02948	14.9
83.01406	5.9
85.02962	25.0
87.00879	3.5
89.02457	31.0
95.01419	6.7
96.96014	20.0
97.02972	2.8
99.00889	7.5
101.02454	35.8
102.48741	2.3
113.02464	24.5
119.03478	11.2
134.45337	2.5
143.03552	3.8
161.04639	6.3
171.10284	16.2
179.05579	2.6
197.11871	3.9
201.11420	7.4
207.10312	7.2
209.11888	7.4
215.12946	7.3
225.11372	6.6
253.09387	4.9
302.88477	2.4
327.21188	2.7
513.47913	2.7
579.42480	4.0
615.27216	2.7
623.41577	56.7
623.50940	3.9
624.42322	3.7
803.48218	84.1
804.48120	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	804.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.4
61.87634	4.0
61.98838	100.0
66.08221	4.1
67.81922	4.7
68.78071	4.0
70.44217	3.8
71.01390	6.3
73.40403	4.3
100.10139	4.5
101.02487	5.6
116.92855	9.0
126.88609	3.9
134.89487	7.6
193.13597	5.5
196.61957	3.9
209.11655	5.0
257.37756	4.5
282.26935	4.5
391.07834	4.5
395.93820	4.6
490.28162	3.9
517.87384	3.9
766.17462	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	804.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98837	100.0
71.01405	0.3
98.22684	0.5
99.00913	0.3
116.92874	0.5
125.89159	0.2
129.05634	0.9
138.33640	0.2
171.10237	0.4
203.10780	2.4
204.11157	0.9
207.10385	0.3
225.11412	0.3
226.11667	0.3
322.74109	0.2
349.62738	0.2
380.23785	0.2
549.66626	0.3
803.46948	0.4
804.46765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.98835	100.0
68.20440	0.2
71.01400	0.5
71.70851	0.2
87.82304	0.2
95.04961	0.2
96.96015	0.4
108.13911	0.2
116.92848	0.3
125.09699	0.3
129.05623	1.0
171.10283	0.4
203.10760	2.1
204.11227	0.7
209.11852	0.5
225.11473	0.4
371.00415	0.2
512.70728	0.3
612.72815	0.2
803.47003	0.4
804.46558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
60.07188	0.4
61.98827	2.3
67.01899	1.0
69.08957	2.7
71.01398	1.5
73.02974	0.6
75.01872	0.4
80.82142	0.4
81.03481	0.7
83.01401	0.5
85.02975	0.7
87.00885	0.7
88.98812	0.9
89.02456	0.9
93.03477	0.5
95.01428	0.6
96.96038	1.7
101.02431	1.0
107.05083	0.6
108.02144	0.7
109.02960	4.0
111.00896	0.5
113.02498	0.7
118.12794	0.5
119.05038	1.3
121.02970	1.2
122.03742	0.6
123.00864	1.4
123.04572	0.8
124.01698	0.6
125.02485	0.5
132.04623	0.6
133.02931	0.8
134.03806	1.8
135.04559	1.4
136.01660	3.1
137.02458	27.1
138.03262	0.8
139.00511	0.5
139.04085	0.5
145.02931	0.4
147.00868	0.8
147.04561	0.8
147.85089	0.4
148.01666	0.4
149.02451	1.4
149.06079	0.5
150.03214	2.2
151.00391	9.2
151.04005	5.1
152.01173	1.4
152.04805	3.7
153.01875	1.1
159.04509	1.0
160.01657	1.0
161.02426	1.4
162.03235	1.1
163.04022	1.5
164.01164	2.1
164.04736	0.8
165.01944	100.0
165.05583	4.6
166.02734	24.2
166.06419	0.8
167.03479	2.8
171.04448	0.6
175.04059	3.3
177.01973	1.7
177.05644	0.8
178.02728	2.1
179.03511	21.5
179.06978	1.2
180.04301	56.1
181.05081	27.5
182.05388	0.6
183.04515	0.5
187.04079	2.2
189.05624	0.6
190.02715	0.7
190.06404	0.5
191.03494	1.1
191.05556	0.9
192.04262	1.5
193.05069	3.5
194.05855	4.0
195.02998	2.7
195.06638	67.4
196.07025	1.1
196.13356	0.4
199.03958	1.4
205.05063	5.2
205.08636	0.6
207.06609	1.4
209.04588	0.5
210.05338	10.8
215.03543	0.8
220.07347	4.1
225.07693	53.7
226.08025	1.1
227.03429	1.2
242.01994	0.7
242.10480	0.6
243.03021	1.1
255.02960	1.4
257.13104	0.8
259.02609	0.5
264.03958	0.6
271.02509	16.2
284.03293	0.7
299.01987	27.7
300.02502	1.6
301.03546	2.4
301.12076	0.9
344.09021	0.8
345.09671	0.9
357.13907	0.5
359.11264	1.3
371.11234	0.6
372.12280	0.6
385.12946	0.7
386.13821	1.0
387.10138	3.9
387.15164	3.9
402.13339	2.8
403.13937	1.9
416.14783	3.6
417.15576	43.9
418.15814	1.9
505.09839	1.9
535.16528	0.7
565.17700	1.8
580.19409	0.9
595.21899	52.7
596.22137	1.8
601.14575	6.9
602.15485	0.7
613.22656	1.2
625.23224	1.7
643.24060	22.4
644.13580	0.6
644.24146	1.5
806.21387	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	805.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.9
61.98825	2.1
67.01888	1.3
71.01385	3.1
71.40402	0.8
73.02952	1.0
85.02961	1.1
101.02452	1.2
107.05045	1.0
109.02974	4.9
111.00883	0.9
113.02438	0.9
121.02989	1.3
123.00920	1.3
123.04516	1.2
135.04517	1.2
136.01678	2.3
137.02457	26.0
143.53963	0.7
145.02968	1.0
146.04576	1.1
149.02502	0.9
150.03171	1.4
151.00429	5.1
151.04025	4.2
152.01123	1.6
152.04793	3.0
153.01990	1.4
162.03284	0.9
164.01201	2.8
164.04796	1.1
165.01944	100.0
165.05615	4.6
166.02722	20.4
167.03426	2.3
175.04041	2.6
177.01955	2.0
177.05600	1.5
178.02711	0.7
179.03519	22.1
179.05096	1.1
179.07104	1.2
180.04297	54.6
181.05081	24.3
187.03995	2.1
190.02655	1.0
190.06360	0.9
191.05580	1.3
192.04196	1.1
193.05072	2.2
193.93396	0.7
194.05928	4.7
195.02928	3.0
195.06635	68.7
196.06970	1.2
202.06436	0.8
205.05063	5.8
206.05730	0.8
207.06601	2.4
209.08060	1.0
210.05360	10.6
211.05847	0.9
220.07368	4.3
225.07701	53.6
255.02937	0.9
257.13019	2.1
283.02515	1.8
285.04108	1.2
301.11911	2.7
359.11243	1.3
371.11322	1.1
372.12503	0.9
386.13544	0.8
387.10690	2.3
387.14828	4.3
402.13235	3.3
403.13885	1.5
416.14731	2.7
417.15588	43.2
418.15897	1.7
430.71475	0.8
506.09604	0.8
537.17499	1.2
565.18054	2.7
580.19318	1.3
595.21857	51.7
596.22406	2.4
601.99719	0.8
625.23175	1.4
643.24030	23.1
644.24438	1.8
692.43726	0.8
805.28113	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12695	0.5
59.01371	1.8
61.98833	1.0
67.01881	0.9
70.22073	0.5
71.01381	1.2
81.03458	0.7
85.02963	0.6
88.98826	0.6
95.01421	0.8
101.23403	0.5
107.05045	0.7
109.02948	4.4
117.24256	0.6
123.00904	1.3
123.04520	1.1
134.03816	0.6
135.04514	0.7
136.01685	2.1
137.02451	24.5
138.03252	0.8
139.04021	0.7
148.01656	0.6
149.02425	1.5
150.03217	2.1
151.00383	11.7
151.04018	4.6
152.01151	2.1
152.04808	3.0
153.01895	0.6
159.04430	0.9
160.04013	0.7
162.03148	0.7
163.00340	0.6
163.03975	1.1
164.01170	2.4
165.01938	100.0
165.05574	4.4
166.02725	34.0
166.06335	1.0
167.03525	2.9
169.79572	0.5
175.04028	2.3
176.01073	0.6
177.01949	2.0
177.05504	1.4
178.02744	1.7
179.03506	21.6
179.07079	1.2
180.04295	56.5
181.05075	36.0
182.05376	0.9
187.04030	1.8
189.05588	0.5
190.02733	0.9
190.06325	1.4
191.03488	1.2
192.04283	1.4
193.05132	2.5
194.05872	3.3
195.02983	2.5
195.06638	77.9
196.06963	1.2
203.03508	0.6
205.05060	4.4
205.08713	0.7
207.06688	1.6
210.05356	11.9
219.06558	0.7
220.07474	4.2
221.08028	1.1
225.07698	60.4
226.07996	1.5
235.09744	0.8
255.03113	1.3
267.88171	0.6
283.02499	1.0
339.08713	0.8
344.08823	1.0
355.12048	0.6
357.09720	0.6
359.11227	1.5
371.11411	0.9
372.12137	1.1
386.13770	0.9
387.10205	5.5
387.15201	6.4
402.13281	3.7
403.13889	2.2
416.14966	3.9
417.15573	55.9
418.15872	1.4
565.18091	2.4
580.19562	1.2
595.21893	53.4
596.22363	3.4
613.23096	1.9
625.23132	1.2
643.23987	26.3
644.24127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00388	1.3
58.00612	1.7
59.01388	57.3
59.04108	1.7
61.15635	1.5
61.98841	7.2
65.99084	1.4
66.12505	1.5
71.01388	24.7
73.02956	2.1
79.99830	1.5
80.05079	2.0
83.01407	3.7
85.02948	7.5
89.02451	16.7
89.93247	1.6
95.01411	2.0
96.96019	4.7
99.00879	2.4
101.02474	11.5
106.06653	5.2
110.93674	1.7
113.02476	8.0
116.92886	4.8
119.03522	5.9
120.08208	11.3
121.02979	6.6
121.94974	1.5
122.06139	15.5
134.06148	25.5
147.21231	1.5
152.07187	7.1
161.04620	2.2
190.05147	3.4
191.05672	1.9
209.11868	2.4
223.08713	3.7
224.09673	2.1
237.10396	4.1
239.11913	8.0
249.10432	2.9
251.08237	3.6
251.11957	5.2
252.12677	1.9
255.02898	1.7
263.08276	5.0
264.09058	12.2
265.09763	9.4
276.09027	2.2
277.09863	5.6
278.10617	3.0
279.11438	23.4
280.12076	3.6
281.13043	2.7
283.02661	2.6
291.11459	3.4
292.12140	3.5
293.12982	2.1
297.47272	1.8
305.09406	2.9
307.11053	2.7
314.12592	2.2
323.10382	3.8
324.11417	2.7
326.12991	1.8
338.12460	1.7
384.17300	3.1
386.18915	3.0
426.18054	2.2
430.17493	1.7
444.19333	2.4
462.20566	2.3
472.18329	3.0
473.19867	3.6
487.98306	1.7
490.19901	5.8
606.24573	4.8
650.23358	7.9
651.24493	11.3
682.26331	13.7
683.27051	2.2
773.30432	100.0
774.30640	13.4
805.32928	44.5
805.45575	6.0
806.33026	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	805.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.6
61.98826	32.7
71.01379	7.8
101.02456	8.7
109.06593	13.7
109.94928	8.4
121.93066	6.8
163.11284	14.6
171.10255	8.5
207.10292	41.4
209.11850	100.0
225.11374	26.7
226.48624	6.9
227.12875	15.0
253.09247	17.7
287.16867	9.0
289.18274	7.2
305.17569	31.7
307.19189	23.2
323.18753	12.7
325.20203	19.4
400.95963	7.7
421.47647	7.0
461.20444	10.8
471.52747	7.6
497.28427	6.9
500.81763	6.7
543.27936	11.7
733.38275	35.5
751.39142	62.2
769.40216	47.0
805.37701	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	12.0
61.98830	100.0
69.14053	40.3
88.98803	16.5
98.22708	12.3
99.34657	7.2
106.21272	8.2
116.92883	11.2
124.87458	6.2
125.45069	6.3
154.59775	6.4
171.10184	6.7
192.98383	6.2
200.03079	6.5
201.11375	6.1
207.10229	15.6
209.11827	38.3
225.11292	39.9
253.09344	8.4
307.19095	41.4
325.20178	12.7
461.20074	14.0
535.38385	6.5
538.44769	6.9
543.28314	10.1
611.30615	7.7
751.39215	23.4
769.40033	30.6
805.37469	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	805.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.6
59.88611	3.2
61.98837	32.6
69.69381	11.4
71.01382	6.3
72.35429	3.4
78.91903	13.8
89.02428	5.7
96.57369	3.2
97.02943	6.9
98.22581	5.7
99.00878	15.8
101.02473	8.1
110.03732	3.3
125.09717	8.0
133.69920	3.6
163.11275	12.5
171.10254	7.6
181.12357	18.6
197.11797	4.5
199.13397	13.1
207.10278	27.4
209.11858	25.7
225.11307	38.6
227.12788	4.3
243.12398	21.2
245.19223	4.6
253.09303	7.7
289.18051	15.0
305.17587	11.6
307.19034	12.8
445.46832	4.6
461.20615	4.2
479.21292	9.8
541.26929	3.5
656.48535	4.1
733.37701	6.5
751.38971	10.6
769.40289	100.0
770.40613	6.1
805.37415	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
60.78381	3.8
61.98840	95.4
66.34663	3.9
71.01395	28.7
72.14427	4.0
78.95886	15.2
80.91679	6.0
83.05024	5.5
84.21865	4.4
85.02987	5.4
89.02460	5.6
97.02966	3.8
97.06641	5.5
98.22618	14.5
101.02455	5.4
104.09321	4.7
107.04994	7.5
113.02455	5.0
139.07628	4.9
151.07632	22.1
151.15182	4.1
161.15079	4.9
161.52136	3.9
163.11253	5.1
171.10287	52.0
181.12283	5.3
185.11795	7.8
201.11331	23.2
207.10265	15.1
209.11841	100.0
210.12225	8.1
217.58165	4.0
225.11349	23.3
227.12950	17.8
235.08218	6.5
253.09315	20.0
287.16553	6.3
289.18149	23.0
305.17688	22.1
307.19104	11.1
458.77792	4.6
461.20071	6.4
541.25494	4.9
751.38220	5.2
767.38916	8.7
769.40015	11.2
805.37427	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	806.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53173	0.5
59.01394	0.7
61.98837	100.0
94.15260	0.5
96.87396	0.5
96.95988	0.9
101.02478	0.5
112.33043	0.5
146.69699	0.5
171.10242	1.1
172.30756	0.6
182.78058	0.5
207.10469	0.6
209.11855	2.4
210.12225	0.5
225.11369	0.9
274.69528	0.6
305.17648	1.0
309.20950	1.0
352.95200	0.5
507.98993	0.6
653.07477	0.6
674.15082	0.7
713.57941	0.6
751.39453	0.7
752.39734	0.8
770.39880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47625	0.3
59.01387	1.5
61.98836	100.0
62.21976	0.3
69.67370	0.3
71.01398	1.1
71.66183	0.3
82.95409	0.9
84.95133	0.4
85.00417	0.5
96.96061	1.3
99.92626	0.6
101.02447	0.8
113.02391	0.4
116.92880	7.1
116.97257	0.4
133.94733	0.4
197.11920	1.2
198.12260	0.5
209.11925	1.6
210.12079	0.5
225.88690	0.4
250.94308	0.4
307.58734	0.3
397.13550	0.6
439.90421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57723	6.1
59.01386	9.1
61.98834	100.0
70.49828	5.9
71.42222	8.8
78.91885	6.8
84.09985	5.8
84.48071	5.6
89.02488	7.8
89.87585	6.4
123.91392	6.2
148.86899	5.8
163.11385	8.4
171.10402	8.1
175.64999	6.1
197.11803	11.8
207.10255	6.9
209.11864	84.4
227.12936	40.0
253.09256	14.3
289.17911	8.9
307.19205	41.3
309.20569	8.9
325.20248	7.9
458.41681	6.7
463.21674	9.8
487.39923	7.9
543.28204	9.2
735.39496	11.8
753.40900	9.4
771.41248	10.7
807.40698	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	807.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.6
61.98833	35.0
65.20741	1.7
71.01388	31.4
81.03445	2.6
83.05021	4.4
85.02941	2.1
89.02448	5.5
97.02964	6.3
99.00871	3.7
101.02467	10.3
109.06611	29.6
110.03749	4.1
113.02464	4.1
125.09723	4.5
135.08153	4.6
143.59637	2.1
161.04543	2.6
163.11273	17.2
165.12836	7.0
171.10242	6.5
181.12367	7.6
185.11836	3.7
193.16071	2.6
195.75438	1.8
199.09727	2.4
207.10283	82.6
208.10606	2.3
209.11873	19.7
223.13538	3.1
225.11333	50.0
227.12840	3.0
235.08173	4.1
243.12398	2.6
243.31851	1.8
247.20636	7.7
253.09311	25.7
273.17905	1.7
289.18048	3.3
291.19702	65.6
307.19345	4.3
309.20743	100.0
318.13422	2.0
443.19141	2.7
461.20361	16.8
499.30942	2.0
609.18848	2.1
671.25983	2.2
704.87128	2.1
735.40594	2.8
753.40576	19.6
754.41150	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	807.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	19.8
61.98832	26.4
64.10445	3.8
71.01390	40.2
78.95912	5.3
85.02953	5.9
89.02458	11.0
96.96029	6.5
97.03028	4.3
101.02473	17.3
109.06604	22.1
113.02451	6.9
125.09769	4.9
128.72893	3.9
161.04599	7.8
163.11290	13.5
165.12906	6.6
171.10284	9.8
181.12434	7.5
183.42250	3.8
197.11806	7.6
199.09727	6.4
200.35457	4.2
201.11398	5.8
207.10263	55.2
209.04599	4.4
209.11858	45.6
211.13440	12.2
213.09543	4.6
221.15892	3.8
225.11404	29.2
227.12915	6.9
235.08223	5.9
253.09319	12.4
263.16586	7.0
289.18109	7.9
291.19724	41.2
307.19260	31.0
309.20764	100.0
461.20200	5.8
499.30566	5.7
543.28168	8.0
545.29657	10.5
631.17181	3.9
639.91748	4.9
684.34003	5.5
717.38275	6.8
717.74805	4.7
735.39984	8.8
753.40631	17.1
754.41022	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	809.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.7
61.98831	1.0
63.02405	0.5
65.00331	0.6
65.02694	0.3
65.48923	0.3
79.56364	0.3
79.92577	0.3
83.01382	0.5
85.02927	0.5
89.02473	0.6
94.59777	0.3
95.01413	0.3
96.96007	0.9
101.02438	0.6
107.01398	0.4
107.35149	0.4
107.35943	0.3
109.02976	0.4
113.02439	0.4
114.93446	0.3
117.03520	1.0
123.00840	0.4
123.04530	0.4
134.03767	0.5
147.00899	0.3
150.03215	0.6
151.00398	1.8
155.05042	0.5
159.04510	0.7
163.00441	0.4
165.01993	0.5
165.05484	0.5
166.02623	0.4
167.03484	0.4
171.04536	0.4
175.03996	0.5
178.05107	0.4
183.04555	2.3
185.02534	0.5
185.06104	0.5
209.11879	0.4
211.04008	2.0
227.03522	24.2
228.03976	0.9
239.03575	0.5
255.03008	49.9
256.03613	4.0
268.03766	0.4
269.04605	1.3
278.53580	0.3
283.02502	37.1
284.03262	29.5
285.04050	23.6
286.04483	1.0
381.06146	2.6
399.07187	5.4
441.08322	3.5
459.09302	0.6
501.10437	100.0
502.10706	8.6
592.14313	0.9
621.14862	1.0
809.21875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
59.34356	0.4
61.98819	1.2
65.00359	0.5
69.13339	3.4
83.01395	0.5
88.73642	0.4
88.98821	0.5
89.02438	0.7
93.03458	0.8
96.96021	0.7
107.01356	0.7
109.53505	0.5
111.00886	0.5
117.03465	1.1
144.82506	0.5
146.53442	0.5
151.00392	1.2
159.04422	0.8
164.01204	0.5
165.02028	0.6
166.02702	0.6
174.39635	0.4
175.04083	0.6
177.02106	0.5
183.04541	2.8
211.04027	1.8
227.01250	1.2
227.03520	21.8
228.03894	1.2
232.26056	0.5
239.03442	0.6
255.02992	50.1
256.03622	3.9
257.04047	0.6
269.04678	1.3
283.02493	41.7
284.03259	34.5
285.04044	24.4
285.07358	0.8
286.04315	1.3
381.06058	2.9
399.07230	5.8
400.07562	0.6
441.08282	3.4
459.09485	0.5
501.10431	100.0
502.10812	6.4
592.14313	1.1
621.15509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	4.3
61.98836	79.4
69.13814	5.5
71.01388	1.3
71.95782	0.8
73.02944	1.0
85.02973	1.1
87.00876	0.9
88.98809	1.6
89.02477	1.2
93.03465	4.4
96.95993	2.3
101.02441	1.4
103.01456	1.0
108.02168	1.5
109.02953	1.8
118.05132	0.9
121.02978	6.5
122.03751	15.9
123.04522	2.2
132.02129	1.2
133.02980	2.9
134.03746	3.2
135.04526	1.2
136.01669	5.6
137.02457	4.2
145.02963	1.0
146.03685	2.4
147.04504	1.4
149.02464	26.3
149.06082	2.7
150.03244	100.0
151.00352	1.5
151.04034	14.4
152.04803	1.4
153.01906	1.3
162.03191	1.2
164.04825	6.0
165.05585	84.9
166.02753	5.4
166.05946	1.5
167.03513	0.9
175.04065	1.1
176.72572	0.9
177.05542	2.5
179.07164	7.8
180.04312	5.6
181.05093	7.1
193.05109	1.2
195.06641	43.8
205.05032	1.5
220.07338	1.5
255.03023	4.9
283.02548	7.5
284.03192	1.4
285.03989	2.2
329.10187	1.1
373.12918	0.9
387.14548	2.7
402.31223	0.9
403.13913	1.1
417.15613	8.2
500.09821	1.9
534.30249	0.8
535.15808	2.0
564.20422	1.5
565.20837	20.9
566.20844	1.2
595.21887	1.6
613.22681	4.3
619.21881	1.7
667.23419	0.9
713.26135	8.1
714.27380	1.2
725.25568	1.0
743.26953	3.8
747.17792	3.2
761.28827	1.0
809.17633	2.3
809.30609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.6
60.99325	1.4
61.98837	22.3
64.55278	0.8
69.18889	2.8
69.19283	2.1
71.01393	1.2
79.63264	0.7
87.00904	1.2
87.32432	0.7
88.98826	9.9
93.03461	3.0
101.02419	1.5
103.00391	2.5
103.01530	1.7
109.02956	1.2
113.02489	0.9
116.92875	2.0
121.02972	6.3
122.03761	16.0
133.02951	1.9
134.03780	1.0
135.04558	0.9
136.01669	4.9
137.02478	2.1
149.02457	21.8
149.06119	1.4
150.03246	100.0
151.00406	1.1
151.04037	8.6
160.04028	0.9
162.03331	1.6
164.04825	5.4
165.05586	98.3
166.02721	5.5
166.05940	2.1
167.03426	0.9
177.05603	0.9
179.07179	3.9
180.04332	6.3
181.05110	6.9
195.06645	72.7
196.07042	2.3
205.05150	1.3
207.02498	1.1
225.07762	1.0
255.03014	1.8
283.02502	4.2
284.03128	2.1
303.56094	0.8
364.63477	0.8
372.37442	0.9
387.14639	3.2
417.15616	9.2
458.41620	1.0
494.29251	0.9
535.19751	1.0
565.20795	12.7
595.22021	1.6
613.23230	3.9
705.16925	2.6
713.25830	1.2
743.27582	1.1
791.30078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	21.5
61.98833	100.0
65.75496	7.1
69.53776	34.2
81.21423	7.7
83.04987	8.3
83.31552	6.6
96.23244	7.6
96.96012	12.6
98.21323	7.6
101.02427	11.3
103.40485	8.0
116.92889	9.1
125.09692	8.2
171.10381	8.1
174.49391	7.9
181.08702	78.2
188.89153	7.8
197.11919	8.2
199.09796	11.4
209.11873	63.6
225.11264	12.5
241.23447	7.5
244.87729	7.2
253.09285	20.1
287.16516	10.0
305.17697	61.3
323.18683	19.3
377.46552	8.0
443.21402	8.0
461.20364	8.9
541.26556	53.2
556.53674	8.2
643.30072	16.1
705.34943	22.7
723.36285	82.1
741.37347	33.2
789.56702	8.5
809.37775	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	23.7
61.98836	100.0
62.83578	21.2
64.39961	24.2
69.10597	75.1
69.11005	72.5
93.90738	23.0
96.95984	23.5
114.38609	20.7
114.97626	21.8
171.64424	22.3
193.36153	20.8
197.11845	87.8
208.87076	23.5
209.11868	62.2
225.11346	25.7
227.12889	27.6
253.09370	28.3
298.47858	22.9
307.19104	39.8
309.20636	44.4
449.76700	24.8
545.29486	30.2
647.00104	24.5
723.39764	56.6
732.92023	25.8
809.39508	46.6
841.01910	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	809.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98827	2.9
68.40935	0.5
71.01395	1.1
82.95416	0.9
83.05051	0.7
85.00460	0.7
89.02453	0.9
90.42558	0.5
91.09288	0.4
96.96040	0.6
97.95979	0.5
98.21833	1.5
101.02430	0.8
103.00418	1.7
103.01505	62.2
125.09757	1.0
137.09755	0.5
139.11377	0.5
142.08742	0.4
163.11400	0.8
165.12906	1.1
209.11880	1.1
219.17638	1.7
223.13637	0.7
225.11388	0.6
235.08411	0.8
247.20712	0.8
253.09344	3.1
263.16525	2.4
281.17599	9.3
291.19656	12.3
292.20145	0.7
307.19241	0.6
309.20731	16.8
310.21185	0.9
545.29773	0.7
636.57684	0.5
728.50323	0.6
809.48535	1.0
828.70660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01389	12.7
59.79513	1.7
61.98825	4.2
69.83670	4.0
71.01370	8.9
72.11221	1.6
73.02950	2.1
83.05031	2.7
85.00469	2.3
85.02996	1.9
87.00916	2.4
89.02462	4.7
96.95998	3.6
97.02995	2.5
98.21958	1.9
101.02460	6.3
109.06625	1.7
111.08142	2.4
113.02460	2.9
113.09767	2.7
125.09715	2.8
137.09770	2.8
153.09152	2.9
161.04538	3.0
163.11307	3.9
165.09250	2.3
165.12878	9.4
167.10767	3.1
171.10303	7.6
179.14372	2.4
181.12367	3.3
191.14412	1.9
193.15878	2.0
197.11877	3.6
209.11824	6.4
219.17560	5.7
223.13487	2.9
225.11401	2.1
235.08258	3.6
247.20656	7.3
253.09279	18.5
263.16586	17.6
265.18253	4.7
273.18561	2.1
281.17599	68.1
282.17886	3.0
291.19696	83.8
292.19876	2.9
307.19135	6.2
309.20740	100.0
310.21027	6.8
325.20309	2.6
385.20486	1.8
396.76114	1.8
404.29538	1.7
454.49515	1.8
517.26636	2.9
730.52716	2.0
809.48071	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	809.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01387	15.3
61.98840	3.3
69.26196	6.9
71.01395	6.6
85.00438	4.8
85.27338	1.2
87.00868	1.3
89.02493	4.2
94.00932	1.3
94.36407	1.2
95.05051	2.3
96.96028	1.5
97.02946	3.4
97.06567	6.0
99.85844	1.3
101.02468	5.0
109.06618	1.7
113.02465	2.3
119.03575	1.5
123.52470	1.2
125.09776	1.7
135.08194	3.4
135.71109	1.2
139.11346	1.5
143.07123	1.9
149.38043	1.2
151.11331	1.9
161.04575	3.1
163.11330	4.0
165.09164	4.1
165.12888	8.6
171.10298	2.8
179.14439	1.5
181.08754	1.7
191.14574	1.5
193.15945	1.7
195.18257	1.4
197.11942	1.8
209.11864	1.8
219.17523	12.1
223.13536	1.8
235.08217	2.7
247.20691	8.2
253.09319	24.1
263.16519	36.6
263.19202	2.1
264.16830	2.2
273.18475	2.5
281.17603	43.3
281.20679	2.3
282.17950	3.4
291.19690	92.5
292.20050	4.1
293.21304	2.4
309.20731	100.0
310.21194	8.0
527.28613	2.0
738.01624	1.3
809.47192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
59.01384	15.1
61.98829	4.0
71.01390	6.9
73.02919	1.2
81.03455	1.4
82.24574	0.9
82.95433	10.5
83.05063	1.6
85.00476	1.4
85.02953	2.5
87.00856	1.4
89.02452	4.8
93.23466	1.0
95.05022	3.3
96.96038	1.2
97.02956	2.3
97.06618	5.1
101.02441	5.9
103.01529	1.6
103.40589	1.0
111.08189	1.5
113.02430	1.5
113.09747	2.1
115.07632	1.0
125.09717	1.2
127.07697	2.2
135.08176	2.7
151.11305	2.2
153.09167	1.5
161.04584	2.2
165.09245	2.8
165.12892	6.6
167.10844	1.4
167.14391	2.4
171.10272	3.4
181.12369	2.8
190.50438	1.0
191.14445	1.2
193.12402	1.9
195.10094	1.1
195.13873	2.9
197.11884	6.5
207.10222	1.2
209.11818	4.8
211.13437	3.1
219.17548	11.2
221.15430	2.4
221.57138	0.9
235.08257	4.0
240.74455	0.9
247.20660	2.9
253.09302	13.9
263.16544	28.1
264.16763	2.3
265.18079	3.4
267.19452	1.2
273.18527	2.1
281.17633	42.2
282.17957	2.2
291.19696	38.5
292.20001	1.8
307.19028	4.7
308.74686	1.0
309.20746	100.0
310.21082	6.8
325.20068	1.3
411.83862	1.0
515.74524	1.1
527.28528	2.1
543.28290	1.5
545.29602	23.1
546.30139	1.9
737.08490	1.1
791.46570	1.9
809.47406	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63477	100.0
78.03362	52.7
79.92319	54.6
98.22543	44.2
123.04783	60.9
139.37428	53.3
145.24188	47.8
199.33510	49.6
208.03336	63.7
236.55872	53.3
470.27667	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	56.1
61.98827	100.0
62.23940	38.7
65.24733	38.0
70.39269	39.0
95.01253	40.2
95.85598	43.0
132.81868	46.3
215.41034	45.1
216.03883	44.4
239.51677	40.8
299.33221	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.2
71.01389	18.7
72.41880	1.5
73.02951	4.0
75.73055	1.3
85.02959	6.6
87.23132	1.7
89.02456	13.2
101.02458	11.7
113.02499	9.3
118.35932	1.3
118.97945	1.5
119.03500	3.0
124.20228	1.4
179.03619	1.6
189.12938	1.6
191.05629	3.6
193.05115	3.0
443.19247	100.0
444.19580	6.5
831.68158	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01174	5.5
59.01391	61.9
61.98840	48.1
68.14957	6.9
69.06571	23.8
69.06998	25.5
71.01378	15.2
83.05020	21.1
85.02953	8.2
89.02448	9.2
94.27378	6.2
96.96027	9.5
101.02462	11.3
109.06571	9.8
109.51499	6.0
116.92827	8.9
121.02958	22.9
153.09175	9.3
171.10252	27.5
171.31787	7.7
181.08701	84.6
185.11844	9.7
199.09770	11.0
209.11813	100.0
212.15578	7.0
227.12894	25.2
232.55943	7.6
253.09319	27.1
279.16098	19.6
289.18002	10.4
307.19135	91.8
325.20325	39.5
445.20651	7.8
482.46445	8.2
525.27155	10.6
543.28271	66.0
561.29242	11.7
707.36414	24.9
725.37561	42.8
739.37256	9.4
743.38458	37.6
811.38843	99.7
812.39093	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	811.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69659	70.4
79.10218	25.7
85.00472	28.4
88.98816	89.9
108.38914	24.5
116.92838	44.7
183.38351	24.3
245.19058	24.4
249.18604	100.0
260.40555	21.2
289.18143	80.6
303.41928	24.8
346.41821	25.2
415.42856	22.8
811.44147	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.6
67.44011	5.8
71.01378	7.6
71.42313	7.8
79.76054	5.9
101.02512	6.6
105.06849	6.3
109.99076	7.4
112.19173	7.5
116.92867	15.2
124.97530	6.7
131.84244	6.4
152.86726	7.1
159.51927	7.0
245.19070	20.4
249.18602	93.8
253.09279	22.8
289.18076	100.0
307.19186	89.5
525.26996	10.8
543.28278	9.7
570.30762	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	812.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.5
59.88390	5.6
61.98843	45.8
69.69782	30.6
71.01399	16.1
74.02540	7.6
82.95436	19.6
83.05043	8.7
85.00448	9.2
89.02449	9.3
97.03006	9.4
109.06610	28.8
111.00879	8.6
125.09736	13.7
135.08252	9.2
163.11310	31.9
171.10278	24.0
181.12434	8.1
185.11832	12.3
197.11972	12.0
201.11447	8.7
207.10268	76.5
209.11880	100.0
210.12187	8.8
225.11404	42.7
227.00475	7.4
227.12776	10.1
235.08243	7.5
253.09338	19.9
289.18030	10.2
305.17566	30.7
307.19199	28.1
309.20624	10.3
325.20227	13.1
429.38055	6.9
461.20319	12.5
497.28189	9.0
550.67810	7.6
613.17212	8.4
733.38232	16.2
751.38977	36.5
769.40155	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2102
Annotation	Veronicoside A
Peak:m/z	Relative Intensity
59.01379	3.5
63.02404	0.7
65.00337	1.0
75.07381	0.3
83.01402	0.7
85.02965	1.0
85.09079	0.3
87.00867	0.4
89.02458	1.6
93.03471	1.2
99.00893	0.3
101.02446	1.0
107.01392	2.2
108.02201	0.4
109.02968	0.4
110.62444	0.3
111.90651	0.3
113.02445	0.6
117.03487	0.9
121.02954	0.9
125.02471	0.4
131.03505	0.4
132.02200	0.6
133.02982	0.7
134.03726	0.8
135.00883	0.8
145.03009	0.4
151.00374	4.7
159.04544	0.9
161.02448	0.5
163.00360	0.8
163.04013	0.5
167.05107	0.3
169.01474	0.6
169.06609	0.4
171.04596	0.4
173.06247	0.4
175.04037	0.5
178.99940	0.8
183.04602	2.9
185.06003	0.5
187.04056	0.9
191.05624	5.9
192.05936	0.5
193.05113	1.5
199.04079	0.9
200.04848	0.4
211.03986	2.8
213.05637	0.6
215.03426	0.6
226.02837	0.5
227.03513	21.3
228.03906	0.8
229.05008	1.8
239.03595	1.0
241.05367	0.5
243.02997	1.1
254.02226	0.4
255.02994	67.2
256.03558	4.6
257.04572	2.4
271.02493	5.8
283.02493	53.6
284.03265	66.3
285.04037	31.9
286.04398	1.2
293.08786	0.6
296.50333	0.3
299.01944	4.1
300.02792	4.7
301.03458	2.5
309.04010	0.4
326.04376	0.5
327.05142	0.5
337.09268	1.3
338.09586	0.5
351.05139	0.5
446.08713	3.7
447.09094	0.5
489.10632	0.8
505.09918	6.1
591.13824	1.3
597.81726	0.3
609.14355	0.5
651.15680	100.0
652.16010	5.7
693.17670	0.4
813.21106	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	813.2103
Annotation	Faratroside
Peak:m/z	Relative Intensity
59.01362	1.5
61.59979	0.9
61.63716	1.0
64.92062	1.0
65.00330	1.5
67.27078	0.9
69.18057	2.8
69.18465	3.1
84.30576	1.0
89.02456	1.1
90.90682	1.0
107.01403	2.2
109.02953	1.5
121.02949	1.5
124.04139	1.1
133.02998	0.9
148.01714	0.9
149.02554	1.2
151.00375	10.5
163.00378	1.3
171.04485	1.3
175.04039	1.5
178.99866	6.6
199.04048	4.8
201.01967	1.6
201.05421	1.1
203.03511	1.7
215.03525	2.3
226.02776	6.5
227.03563	5.9
236.48003	1.1
243.03014	14.8
254.02240	4.2
254.11781	1.3
255.02940	6.7
271.02502	100.0
272.02957	6.3
285.04163	1.2
299.01984	87.7
300.02731	67.4
301.03525	43.9
302.03931	1.7
326.17615	1.0
330.04559	1.2
409.12549	1.0
445.07654	2.3
446.08508	5.5
505.09937	81.9
506.10284	8.1
608.13757	5.9
609.14545	3.9
658.69031	1.3
667.15143	11.8
710.48071	1.1
813.21033	52.8
814.21429	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	813.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
65.00336	1.2
74.15878	0.6
89.02446	1.4
96.68083	0.5
98.22622	1.1
101.02467	0.6
104.29689	0.5
107.01400	1.7
135.00938	0.7
136.01738	0.6
151.00359	3.4
151.03984	1.7
159.04480	0.6
163.00371	1.3
171.04576	0.9
178.99962	1.3
183.04602	1.8
185.06020	0.8
187.04085	1.3
191.05615	0.6
211.03999	3.3
227.03511	20.8
229.05052	2.9
239.03522	0.8
255.03008	62.6
256.03448	3.7
257.04562	2.6
283.02512	55.3
284.03290	64.9
285.04059	48.7
286.04294	1.3
293.08667	1.2
327.05115	0.7
350.81161	0.6
357.13562	1.2
446.08719	2.7
489.10327	1.6
538.68726	0.6
591.13635	0.7
651.15710	100.0
652.15930	8.8
813.21362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.9
60.23427	0.5
60.77398	0.5
65.00301	0.6
69.13374	2.5
69.13786	1.4
83.01384	0.7
89.02458	1.1
93.03434	1.3
98.21872	1.0
107.01372	1.0
109.02956	1.1
117.03447	0.9
119.05001	0.8
122.08760	0.5
145.01820	0.5
151.00400	3.1
151.01425	0.5
163.00375	0.9
167.05006	0.7
175.03925	0.8
180.98401	0.6
183.04449	1.5
185.06042	0.7
185.32304	0.6
191.05641	1.0
193.01370	0.7
197.06033	1.1
211.04021	2.0
227.03514	17.4
229.05083	2.6
255.03001	52.6
256.03647	4.7
257.04547	2.1
271.02512	0.7
276.69330	0.6
283.02493	49.2
284.03268	58.1
285.04025	39.5
286.04382	1.3
327.04803	1.1
340.15546	1.2
395.25128	0.6
446.08542	2.3
489.10605	0.9
609.15527	0.7
620.60065	0.7
651.15692	100.0
652.15845	5.4
718.15283	0.7
813.20593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.457
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67001	19.6
81.49324	8.4
120.75519	10.6
142.53004	8.3
180.18855	8.3
189.06839	9.6
219.92946	9.2
249.18521	50.5
291.19684	25.5
309.20779	100.0
527.28638	21.0
545.29559	38.7
777.48309	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	813.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56926	33.2
66.08437	30.3
66.53867	29.5
70.12199	29.5
70.31834	71.4
73.53770	27.4
87.46928	30.8
114.94359	32.3
117.21049	34.4
154.80823	31.3
162.71188	35.2
309.20822	100.0
389.10403	36.3
393.35425	33.6
405.29477	37.5
545.29517	62.8
609.01648	42.9
671.50085	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98835	100.0
70.54654	0.9
77.10661	0.4
116.92896	0.7
135.55539	0.5
209.12048	0.6
447.62555	0.6
500.74054	0.6
524.82477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16703	0.2
61.98835	100.0
69.10635	0.2
69.92382	0.3
69.92708	0.4
87.04967	0.2
96.83868	0.2
109.72046	0.2
116.92905	0.3
551.52448	0.2
622.96539	0.2
712.24719	0.3
816.48608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35711	0.3
58.47870	0.3
59.01377	0.6
61.98838	100.0
65.96478	0.2
81.66791	0.2
85.00468	0.3
85.73287	0.2
86.24729	0.3
148.83282	0.2
171.21420	0.2
209.11798	0.4
373.07458	0.3
490.47510	0.3
511.83582	0.3
841.56732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
61.98834	100.0
64.26657	0.4
66.12622	0.3
69.59897	1.9
98.22677	0.5
143.59497	0.5
235.46979	0.4
296.42041	0.4
298.96021	0.5
380.83832	0.5
384.76566	0.5
508.85208	0.4
615.33997	0.4
625.60272	0.5
751.79883	0.5
784.73877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	59.7
64.09727	0.7
67.46526	0.8
71.42316	1.2
85.80757	0.7
108.74316	0.8
116.94050	0.9
120.96018	1.1
132.98225	2.0
157.03564	0.9
159.01552	1.0
174.99255	30.1
192.95857	3.3
199.98784	0.9
201.02579	7.6
217.00302	100.0
218.00609	2.1
225.01457	0.8
329.51987	0.7
350.94662	1.6
359.01483	17.1
374.99213	60.4
375.99747	1.0
491.94315	0.9
517.00250	10.8
532.98102	19.3
609.76050	0.9
674.99377	2.8
697.12280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01710	0.7
61.65342	0.6
61.98836	59.7
64.36148	0.6
68.46688	0.5
71.01389	1.9
78.95885	0.5
82.95454	0.9
87.00883	0.8
89.02456	1.9
91.76864	0.6
96.99368	1.7
101.02483	1.4
116.92873	2.1
121.02975	0.6
141.01717	55.7
151.81815	0.6
154.46332	0.5
170.04942	0.6
176.54262	0.7
209.11754	0.7
235.08264	0.9
243.04988	0.7
277.21774	5.5
291.06995	0.6
291.19641	0.7
359.22128	4.5
397.13467	12.0
398.13712	0.8
415.14801	2.4
419.11752	1.9
437.13010	3.7
697.34637	2.0
735.30054	0.6
756.29480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
59.01385	65.5
61.98837	31.6
69.03482	1.2
71.01391	34.8
72.17983	0.8
72.99301	0.8
73.02954	9.6
83.01391	5.4
85.02960	12.7
85.28510	0.8
87.00874	2.8
87.01340	0.8
89.02454	24.3
95.01393	3.0
96.95980	1.4
97.02969	1.9
98.21807	1.5
99.00883	1.9
101.02457	27.6
102.41169	0.7
113.02462	14.1
116.92871	1.5
119.03521	8.1
125.02452	1.6
129.42249	0.8
131.03525	2.5
143.03476	2.1
145.02989	1.5
145.24181	0.8
150.37532	0.8
159.02959	1.5
161.04572	5.0
179.05559	1.2
209.10133	0.9
209.11812	5.4
213.03394	0.8
221.06674	2.7
227.12904	0.9
277.03232	0.8
283.02545	1.0
397.13736	0.9
611.34528	1.4
637.39514	3.3
655.39960	1.9
817.46069	100.0
818.46222	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	818.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98835	100.0
69.06585	1.5
86.60612	0.2
199.86916	0.2
257.87708	0.2
269.92789	0.3
274.88596	0.3
306.91266	0.7
321.93564	1.0
471.96628	3.0
472.97034	0.3
648.24115	0.3
672.14563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58073	0.1
59.01374	0.4
61.98835	100.0
63.99257	0.2
69.29375	0.4
69.29783	0.5
73.61717	0.1
76.13737	0.1
80.18121	0.2
88.70564	0.2
96.96051	0.3
98.22718	0.3
106.45817	0.2
116.92895	0.3
117.92979	0.2
143.07225	0.2
149.48460	0.2
155.38310	0.2
161.40630	0.2
169.12335	0.7
170.12804	0.2
191.24144	0.2
200.40376	0.1
209.11934	0.5
210.12343	0.3
218.11572	0.1
497.99106	0.2
505.31073	0.2
660.33417	0.3
691.36121	0.2
786.39661	0.2
824.50641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.4
61.98846	1.8
61.99077	0.4
66.56445	0.3
67.01871	0.7
69.80641	1.1
71.01374	2.4
72.58310	0.3
73.02905	0.4
79.05527	0.7
85.02930	0.8
87.00855	0.5
88.98815	0.5
89.02458	1.7
94.38469	0.4
95.05007	0.8
96.96024	0.4
101.02428	1.4
102.98151	0.4
107.03722	0.4
108.04507	0.7
111.00851	1.2
113.02433	0.8
116.92793	0.4
119.03484	0.6
120.04561	2.6
121.02940	1.3
121.05325	1.6
122.02473	0.7
122.06121	6.7
132.04561	0.4
134.03749	0.4
134.06117	2.6
135.06870	1.1
136.07690	11.7
145.03021	0.4
158.02477	1.8
160.01582	0.4
160.04062	1.1
161.02478	0.4
161.07204	1.2
162.05554	0.5
163.03995	0.4
171.11757	2.3
172.07643	0.5
175.03973	0.6
179.03471	0.5
186.09239	0.8
190.05099	5.6
191.05606	0.5
195.06612	0.5
198.09273	2.1
199.10034	1.4
212.10909	0.3
214.07382	0.5
214.12381	12.2
216.08911	0.5
219.06537	0.4
226.07436	0.8
227.03508	0.5
227.08278	2.4
228.09006	1.1
229.09840	3.4
230.11858	4.4
241.09807	7.5
242.10606	16.4
242.13113	0.8
255.03008	1.1
256.12091	0.9
257.12967	82.4
258.13290	3.1
283.02448	2.1
285.03949	0.5
300.11133	0.8
301.11945	100.0
302.12311	3.4
314.12650	0.5
337.12073	1.7
467.28226	0.4
517.18280	24.0
518.18665	2.3
618.47681	0.4
639.33813	0.7
657.21777	0.5
743.29187	0.5
775.30725	0.7
787.28851	1.1
819.31592	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	819.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21532	0.4
59.01380	5.4
60.12093	0.3
60.49262	0.3
62.12853	0.4
67.01875	0.7
70.42963	0.4
71.01373	1.1
74.85959	0.4
79.05489	0.4
82.95419	0.5
85.02944	0.6
89.02436	1.3
95.05042	0.5
98.22706	0.7
101.02448	1.0
103.06677	0.4
106.88567	0.4
107.03752	0.6
108.04526	0.6
111.00813	0.5
119.03470	0.6
120.04559	3.0
121.05334	2.2
122.06132	8.1
132.04483	0.5
134.06139	3.5
135.06877	1.2
136.07687	13.2
150.59300	0.4
158.02472	1.2
161.07202	1.3
162.05614	0.6
164.98462	0.4
171.11778	2.3
172.07672	0.6
190.05096	5.7
198.09265	2.1
199.10040	2.1
214.07423	0.6
214.12384	13.4
216.09138	0.6
226.07323	0.4
227.08215	2.6
228.09018	0.9
229.09807	6.0
230.09917	0.5
230.11905	5.4
239.11905	0.6
241.09831	7.5
242.10622	19.4
256.12247	0.8
257.12970	93.6
258.13248	3.0
283.02469	0.7
283.10703	0.6
301.11951	100.0
302.12268	3.2
337.12036	1.9
338.12677	0.4
338.49088	0.4
403.10196	0.4
517.18304	21.3
518.18842	1.3
743.30200	0.5
775.32239	0.5
787.28412	1.3
819.31702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19788	0.5
57.78899	0.5
58.06407	0.5
58.18136	0.5
59.01088	0.6
59.01381	10.9
61.98832	4.4
64.62305	0.5
67.01891	1.0
69.37041	1.2
69.37438	2.3
71.01392	4.4
73.02957	1.2
80.05033	0.6
82.95413	1.2
83.01381	1.8
85.02944	1.6
87.00881	1.2
88.98809	0.7
89.02433	2.4
93.03461	1.0
96.96023	27.1
98.21934	1.0
101.02460	2.9
111.00851	1.0
113.02478	1.3
117.03499	0.6
119.03535	0.7
119.05048	0.7
120.04527	2.4
121.02966	1.2
121.05332	2.3
122.06126	6.1
125.02449	0.7
134.06145	5.4
135.06877	0.9
136.07697	13.6
153.01924	0.9
158.02458	1.8
160.01666	1.1
160.04024	1.1
161.07092	1.3
165.05560	1.0
171.11784	2.6
175.04039	0.8
190.05124	6.5
193.05089	1.0
198.09288	1.8
199.10013	2.7
214.12384	14.5
226.07533	0.7
227.03600	1.2
227.08311	3.1
228.09053	0.9
229.09854	5.6
230.11856	4.9
241.09807	6.9
242.10617	17.6
255.02962	3.0
257.12982	93.9
258.13330	3.1
275.09235	0.7
283.02451	5.1
283.10812	0.9
284.03125	1.3
285.04169	2.9
301.11975	100.0
302.12286	2.1
337.12125	1.6
392.00354	0.6
437.15051	0.7
455.08893	0.7
478.99496	0.7
489.10556	1.3
517.10590	1.3
517.18317	23.1
518.18719	1.3
743.28680	1.5
745.27893	2.1
787.28601	1.9
819.30017	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	819.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03902	3.5
59.01381	43.1
61.98837	83.9
62.41653	3.9
62.77164	2.8
64.07218	3.9
71.01394	38.9
71.42085	3.9
78.91888	3.2
83.05028	6.2
85.02966	3.6
89.02467	3.8
89.69292	3.0
96.96028	3.6
97.06590	6.5
99.00883	3.8
101.02450	6.6
102.45888	3.0
103.01497	13.8
109.06628	4.0
111.08221	3.2
116.92866	9.7
125.06055	6.8
125.09740	4.2
127.07734	3.2
127.11154	3.2
139.07617	4.8
141.09196	4.4
153.09212	4.4
161.04584	3.2
163.11284	7.3
169.08702	11.1
171.10303	30.5
185.11798	6.2
197.11797	5.6
201.11349	33.3
207.10265	13.5
209.11867	100.0
225.11214	9.3
227.12943	17.3
253.09276	9.7
305.17606	12.9
307.19159	7.9
376.13507	3.8
422.79160	3.6
714.54095	4.0
724.12537	3.7
819.39575	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	819.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01387	61.2
61.98846	9.8
69.03467	1.3
69.09906	6.9
70.38484	1.0
71.01389	40.6
73.02952	12.2
74.70078	1.0
78.16518	1.0
83.01411	8.0
85.02966	21.5
87.00880	2.7
89.02457	14.9
93.03477	1.4
95.01382	3.9
96.95996	5.4
97.02956	1.3
99.00893	4.7
101.02462	26.0
111.00902	1.3
113.02467	14.3
116.92861	2.7
119.03506	3.9
121.02956	2.4
125.02462	3.1
130.35793	1.1
131.03539	1.3
160.99489	1.0
161.04607	6.2
165.25418	1.1
175.04039	1.5
209.11803	2.5
255.02979	1.7
260.14224	1.2
283.02563	1.8
285.04071	2.3
364.49170	1.2
435.34790	2.5
471.17807	1.2
571.34930	12.5
597.40216	1.4
657.41626	1.2
743.29425	1.5
787.28766	2.7
819.47620	100.0
820.48285	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	819.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.9
59.01387	61.2
61.98846	9.8
69.03467	1.3
69.09906	6.9
70.38484	1.0
71.01389	40.6
73.02952	12.2
74.70078	1.0
78.16518	1.0
83.01411	8.0
85.02966	21.5
87.00880	2.7
89.02457	14.9
93.03477	1.4
95.01382	3.9
96.95996	5.4
97.02956	1.3
99.00893	4.7
101.02462	26.0
111.00902	1.3
113.02467	14.3
116.92861	2.7
119.03506	3.9
121.02956	2.4
125.02462	3.1
130.35793	1.1
131.03539	1.3
160.99489	1.0
161.04607	6.2
165.25418	1.1
175.04039	1.5
209.11803	2.5
255.02979	1.7
260.14224	1.2
283.02563	1.8
285.04071	2.3
364.49170	1.2
435.34790	2.5
471.17807	1.2
571.34930	12.5
597.40216	1.4
657.41626	1.2
743.29425	1.5
787.28766	2.7
819.47620	100.0
820.48285	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	819.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.13119	1.6
61.98834	18.6
66.29786	1.6
69.29485	9.0
71.01393	56.5
73.02952	10.0
83.01412	3.9
85.02975	17.0
87.00889	3.6
89.02454	38.5
95.01402	5.3
96.96029	9.5
99.00893	2.9
101.02449	30.8
102.98595	1.8
113.02473	20.7
119.03514	12.4
124.55112	1.8
125.02563	2.2
134.06140	11.2
140.45221	1.7
161.04646	3.9
179.05618	2.3
197.11760	2.3
207.10228	2.8
209.11836	5.8
225.11354	2.5
245.16032	2.2
255.02969	2.5
267.11554	2.1
271.02609	3.2
283.02530	4.2
285.12433	2.6
295.10907	2.6
299.01962	2.9
475.17258	3.7
521.21814	2.2
639.41217	28.6
679.96472	1.8
701.28326	2.7
743.28882	4.4
745.27649	7.7
746.27924	3.4
787.28162	9.2
788.28503	2.2
819.47595	89.5
820.48645	9.5
831.60321	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	819.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	10.4
71.01393	5.8
71.18698	4.8
77.89114	4.0
78.90854	4.0
82.51292	3.6
83.05042	8.0
89.02421	6.4
101.02428	6.7
104.20312	3.7
107.04977	6.2
109.85996	4.1
125.09689	6.3
135.08157	5.2
153.09259	9.2
153.33105	4.3
153.45676	3.7
161.04404	3.9
163.11282	7.6
165.12877	4.0
176.08429	5.6
197.11829	22.3
207.10167	9.2
209.11848	100.0
235.59322	4.3
253.09355	10.3
261.18484	4.0
277.21774	86.9
287.16489	14.7
305.17606	87.0
323.18643	14.2
541.26636	42.1
559.27472	8.5
717.26453	4.5
801.47852	41.5
819.48907	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	819.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.5
71.01392	4.7
71.82874	1.8
73.02962	1.8
83.05035	3.0
85.02934	3.0
87.00875	1.7
89.02475	3.1
97.06626	2.0
101.02469	4.3
125.09715	4.0
135.08231	2.0
153.09233	6.4
161.04602	2.2
161.64580	1.8
163.11328	4.6
191.10817	3.3
197.11821	8.7
207.10381	4.0
209.09865	2.0
209.11841	35.7
235.08215	7.4
253.09299	11.8
261.18649	2.6
277.21744	100.0
278.22028	5.4
287.16568	7.3
291.92450	1.5
305.17633	34.1
323.18744	4.6
329.45416	2.1
523.25104	2.6
538.60126	1.8
541.26544	6.4
721.41748	2.1
801.47760	18.1
819.48938	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	820.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.6
61.98827	3.9
66.78049	1.5
71.01392	6.2
83.05019	1.6
89.02442	2.9
100.93605	1.4
101.02441	4.1
113.02457	3.7
125.09710	2.8
142.37723	1.7
153.09207	4.5
161.04469	2.0
163.11336	4.3
165.12857	6.4
171.10263	7.0
181.12450	2.4
189.12781	1.5
197.11850	2.0
209.11830	10.2
223.13399	2.1
235.08420	2.9
247.20677	3.0
249.18617	86.2
250.18921	5.6
253.09288	16.7
277.21722	32.9
278.22067	2.5
289.18173	3.6
291.19696	78.9
292.20068	4.2
307.19226	16.4
309.20743	100.0
310.21185	3.5
315.11862	1.8
325.20212	4.6
525.27008	1.9
527.28613	2.8
543.28253	2.5
545.29730	2.3
803.49756	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	821.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.5
61.98809	2.9
64.24104	0.9
67.01879	1.4
68.08537	0.9
69.22700	2.6
69.23104	4.0
71.01381	4.4
78.09499	0.9
83.01419	1.1
85.02962	1.1
87.00890	1.3
89.02433	2.7
91.15918	1.2
101.02438	2.2
107.05037	1.7
109.02958	1.6
111.00911	5.2
119.03470	1.1
119.05058	1.6
121.02961	2.5
123.00904	2.6
123.04498	1.1
124.01640	1.6
125.02433	1.4
125.81225	1.1
134.03764	2.5
135.04510	3.2
136.01711	1.2
137.02434	5.4
138.03233	3.5
139.00343	5.0
139.04002	2.0
145.02951	1.2
147.04587	2.1
149.02501	1.4
150.03111	1.2
151.00386	5.7
151.04024	1.9
153.01952	3.1
153.05524	1.8
153.38744	1.0
159.04436	3.0
160.01674	2.2
160.04050	1.7
161.02441	1.9
162.03226	1.2
163.04027	3.5
165.01920	20.5
166.02701	15.7
167.03432	1.8
175.04019	3.0
176.04716	1.6
177.01962	2.8
177.05551	3.4
179.03529	5.3
180.04286	15.5
181.05072	18.1
189.01949	2.3
191.03543	3.5
191.05571	1.6
192.04330	2.6
192.67679	1.2
193.05051	4.5
195.06627	17.6
203.03477	4.9
204.04295	1.8
205.04997	1.7
207.06528	2.6
210.05318	4.3
211.06166	2.0
218.05795	5.6
219.06613	1.7
225.07675	3.3
233.08205	2.0
236.06866	3.4
251.09235	7.4
255.03131	1.2
283.02472	1.6
285.04056	1.9
292.71078	1.1
299.01993	1.3
342.07333	1.7
343.08127	1.4
357.09708	1.5
358.10498	7.3
372.12109	1.8
373.12918	15.5
385.13339	1.4
391.09976	1.3
401.12408	1.2
403.10080	2.5
417.11722	2.8
418.12628	2.5
419.13495	1.5
431.13315	1.9
432.14246	2.9
433.14972	13.4
489.10367	1.3
611.22028	2.1
659.23492	100.0
660.23962	5.5
751.20691	1.3
765.26697	1.1
821.28809	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	821.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.5
61.98809	2.9
64.24104	0.9
67.01879	1.4
68.08537	0.9
69.22700	2.6
69.23104	4.0
71.01381	4.4
78.09499	0.9
83.01419	1.1
85.02962	1.1
87.00890	1.3
89.02433	2.7
91.15918	1.2
101.02438	2.2
107.05037	1.7
109.02958	1.6
111.00911	5.2
119.03470	1.1
119.05058	1.6
121.02961	2.5
123.00904	2.6
123.04498	1.1
124.01640	1.6
125.02433	1.4
125.81225	1.1
134.03764	2.5
135.04510	3.2
136.01711	1.2
137.02434	5.4
138.03233	3.5
139.00343	5.0
139.04002	2.0
145.02951	1.2
147.04587	2.1
149.02501	1.4
150.03111	1.2
151.00386	5.7
151.04024	1.9
153.01952	3.1
153.05524	1.8
153.38744	1.0
159.04436	3.0
160.01674	2.2
160.04050	1.7
161.02441	1.9
162.03226	1.2
163.04027	3.5
165.01920	20.5
166.02701	15.7
167.03432	1.8
175.04019	3.0
176.04716	1.6
177.01962	2.8
177.05551	3.4
179.03529	5.3
180.04286	15.5
181.05072	18.1
189.01949	2.3
191.03543	3.5
191.05571	1.6
192.04330	2.6
192.67679	1.2
193.05051	4.5
195.06627	17.6
203.03477	4.9
204.04295	1.8
205.04997	1.7
207.06528	2.6
210.05318	4.3
211.06166	2.0
218.05795	5.6
219.06613	1.7
225.07675	3.3
233.08205	2.0
236.06866	3.4
251.09235	7.4
255.03131	1.2
283.02472	1.6
285.04056	1.9
292.71078	1.1
299.01993	1.3
342.07333	1.7
343.08127	1.4
357.09708	1.5
358.10498	7.3
372.12109	1.8
373.12918	15.5
385.13339	1.4
391.09976	1.3
401.12408	1.2
403.10080	2.5
417.11722	2.8
418.12628	2.5
419.13495	1.5
431.13315	1.9
432.14246	2.9
433.14972	13.4
489.10367	1.3
611.22028	2.1
659.23492	100.0
660.23962	5.5
751.20691	1.3
765.26697	1.1
821.28809	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	821.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	36.3
60.90491	1.2
61.98846	2.9
69.13285	3.3
69.13714	4.3
71.01390	16.4
73.02962	1.7
80.05072	2.2
82.56191	1.0
83.01395	2.5
85.02963	5.2
89.02455	12.6
95.01404	2.4
96.96011	1.3
101.02460	9.4
104.05085	1.3
106.06634	5.9
108.04630	1.6
111.00896	3.5
113.02466	5.2
119.03521	3.3
122.06116	7.5
123.03248	1.3
132.04562	2.5
134.03745	1.1
134.06136	24.6
136.07635	2.5
144.04468	1.4
146.06006	1.2
152.07184	6.3
160.01776	1.3
160.04047	2.0
161.02554	1.7
161.04712	1.0
174.05508	1.7
175.04015	1.8
180.06668	6.6
188.07138	5.2
190.05148	1.8
195.06581	1.4
210.08086	1.4
211.08722	2.5
213.10420	1.9
223.08913	1.7
224.09605	1.6
225.10367	4.8
227.11995	2.3
235.08687	1.3
237.10362	2.0
239.11922	2.8
241.13425	1.3
249.10316	2.4
250.07478	1.2
251.08340	4.0
251.11914	3.9
252.09026	2.7
253.09911	8.3
255.03127	1.4
263.08301	2.4
264.09024	4.5
265.09924	2.9
266.10541	1.5
267.11368	7.0
268.11993	1.2
277.09946	4.7
278.07443	1.6
278.10571	2.2
279.08255	6.7
279.11020	7.1
291.07764	2.3
292.08575	3.6
293.09286	6.7
294.10147	3.8
295.10855	10.6
305.09396	3.1
307.10886	10.8
309.12402	1.6
314.12463	1.6
321.08801	6.8
321.12329	1.3
323.10297	3.0
333.08752	3.0
339.09821	4.7
351.09811	5.3
400.16635	2.5
412.16714	1.5
414.18384	1.6
440.16010	3.3
458.17084	3.4
468.15845	3.0
486.16745	4.4
489.10068	1.3
620.22589	3.8
638.23486	5.7
648.22070	4.2
649.22174	1.4
652.21210	1.7
659.32526	1.6
666.23132	100.0
667.23517	9.8
670.25946	2.0
698.25732	73.9
699.26251	8.6
727.29999	1.5
762.81018	1.3
771.28845	9.3
789.30096	15.0
803.31525	5.2
821.32135	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	821.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01081	2.2
59.01382	41.1
69.17457	7.7
71.01383	14.0
73.02962	2.0
73.66113	1.3
80.05070	2.4
83.01394	2.9
85.02941	6.5
87.00895	2.0
89.02452	14.5
91.86294	1.7
93.26705	1.3
95.01392	2.3
101.02456	8.9
106.06628	5.6
108.04556	3.7
111.00877	1.7
113.02437	5.9
119.03497	3.7
120.04504	1.5
120.08174	1.8
121.02924	1.4
121.05354	3.2
122.06139	20.4
123.01019	1.3
125.06245	1.3
132.04570	7.9
134.05200	2.3
134.06133	26.7
136.07698	6.6
146.06122	2.5
152.07187	8.4
160.01640	1.7
160.03989	2.3
160.06393	4.4
160.07639	1.7
162.09244	6.1
166.02670	1.7
175.03960	3.1
180.06702	9.3
185.06117	2.9
186.06850	7.0
193.05138	1.8
195.06651	2.9
201.09267	1.7
211.08804	1.9
213.10359	24.3
214.12296	2.0
225.10271	4.1
226.11156	3.8
227.11742	1.9
237.10353	3.3
238.11151	2.6
239.08179	3.2
239.11864	8.4
241.13448	17.3
249.10161	1.9
251.08191	2.1
251.09328	1.5
251.11932	14.9
252.12698	3.6
253.09914	4.0
253.13469	6.3
255.03076	1.4
266.10593	2.5
267.11362	1.9
267.14999	8.3
269.12857	2.0
271.02408	2.2
277.09796	1.8
279.11459	15.8
280.12045	2.4
281.13022	3.2
283.02460	2.8
283.14450	2.2
285.04031	1.7
285.12479	49.4
285.15622	2.8
286.12891	1.9
289.07108	5.6
299.02023	1.8
314.12305	2.4
358.15454	2.9
370.15820	1.8
374.18866	3.6
383.00809	3.1
384.16977	3.5
386.18848	2.9
398.18686	3.3
399.19345	2.6
433.14902	2.1
459.17627	3.9
578.24976	2.0
612.25012	2.4
623.24982	2.1
640.25519	9.4
654.26831	10.9
659.23181	3.3
693.09552	1.6
701.31702	9.0
745.30969	100.0
746.31287	13.1
777.33594	57.1
778.33881	6.3
803.31403	5.9
822.20789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.2
59.01384	32.9
60.00253	1.0
61.98830	3.9
71.01389	14.7
73.02953	2.2
77.69912	1.1
80.05074	2.7
83.01385	1.1
85.02951	3.0
87.00890	1.2
89.02450	11.3
98.22775	1.1
101.02445	9.9
106.06629	5.5
107.03821	1.6
108.04568	3.2
108.08190	1.5
111.00891	1.2
113.02466	3.9
119.03539	2.8
122.06145	8.4
122.69260	0.9
132.04564	2.1
134.06126	21.2
134.07086	1.9
136.07689	2.9
146.06142	2.1
148.04073	1.1
152.07191	5.5
153.01933	1.0
160.01657	1.2
160.04062	2.3
160.07719	1.4
174.05624	2.2
175.04025	1.6
180.06682	3.4
188.07143	5.4
190.05164	1.6
195.06778	1.1
211.08826	2.7
223.08626	1.0
224.09621	1.5
225.10336	4.0
227.11952	2.0
236.09505	1.3
237.10379	1.8
238.07462	1.7
239.08226	1.7
239.11920	3.3
249.10435	1.8
250.07603	1.1
251.08199	5.2
251.11952	2.7
252.09094	2.4
253.09872	8.0
255.02968	1.4
257.12851	1.1
263.08200	2.2
264.09076	3.7
265.09769	3.6
266.10583	1.4
267.11462	6.7
269.18134	1.1
270.26398	1.0
277.09897	3.7
278.10721	1.5
279.07813	4.9
279.11404	7.2
283.02435	1.7
284.03333	1.2
285.04071	1.8
285.12555	1.4
291.07834	1.4
292.08554	4.1
293.09311	7.7
294.10037	4.0
295.10852	13.1
305.09308	3.6
307.10892	12.4
309.12357	1.7
321.08759	4.7
322.09116	1.3
323.10538	1.3
333.08838	2.9
339.09833	5.5
351.09952	3.4
356.13928	1.1
358.15329	1.2
380.55814	1.0
398.14938	1.7
400.16641	2.1
412.16855	2.0
440.16058	2.9
442.17166	1.2
458.17245	1.9
468.15588	2.6
486.16721	2.4
558.12170	1.2
576.21637	1.4
620.23041	2.8
638.24054	5.8
648.22272	2.2
649.22888	1.4
652.21753	1.7
659.32587	1.5
666.23065	100.0
667.23676	13.2
670.26080	2.1
698.25732	81.5
699.26166	7.9
727.29388	2.3
771.28949	12.1
772.28564	1.8
789.29956	12.7
790.30768	1.7
803.31006	6.6
821.32764	3.7
839.70801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01383	20.4
60.17948	2.3
61.98835	17.9
62.46922	3.0
69.03456	2.9
71.01389	15.3
71.04400	3.7
73.02983	3.2
78.02254	2.4
80.02669	2.7
81.03462	4.5
83.01401	4.4
83.05035	7.5
87.00888	5.7
89.02471	9.3
95.05059	4.6
95.90134	2.4
97.02961	10.7
97.06625	7.4
99.00896	8.2
101.02457	11.4
104.54888	2.7
107.05020	3.8
108.28497	2.7
109.06596	36.7
110.03760	3.0
111.00904	6.0
111.86919	2.4
113.02477	7.5
119.03503	2.8
121.06601	4.1
123.04575	3.5
125.06116	12.9
125.09726	16.6
135.08189	8.9
137.06157	3.4
141.09256	4.1
151.07733	2.9
153.09254	5.0
161.04677	3.7
161.09818	3.7
163.11276	27.8
165.12915	3.0
169.08710	22.7
171.10268	11.1
176.08458	4.6
177.05571	6.3
181.12350	7.1
184.99377	2.6
185.11781	12.6
187.09796	4.4
189.09215	3.4
191.10867	4.6
197.11888	17.9
199.09802	6.2
201.11328	4.0
207.10274	100.0
209.11845	87.8
217.12297	3.0
223.09889	5.3
225.11340	56.0
227.12872	6.6
235.08220	9.3
236.10608	4.1
253.09200	17.8
277.18146	7.2
287.16510	10.3
289.18066	4.7
295.19119	4.2
303.15942	9.8
305.17599	55.0
307.19153	6.6
321.17288	6.1
323.18683	9.7
343.19235	4.1
372.99805	2.7
443.19589	3.6
461.20380	23.7
499.47882	2.8
513.28650	4.1
541.26569	7.0
615.29883	3.4
669.31525	8.0
680.31219	4.9
698.31281	20.3
731.36823	12.8
749.37860	17.5
750.38391	3.7
767.39117	12.1
768.39319	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	821.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.6
59.01180	1.9
59.01392	21.1
61.98832	29.0
62.16568	2.6
69.03419	2.9
69.64720	8.8
70.68098	2.3
71.01386	41.6
73.02967	3.7
78.91912	3.9
78.95950	2.3
81.03449	3.5
83.05036	8.4
84.02181	2.7
85.02943	5.9
87.00892	4.6
89.02438	6.1
89.79842	2.8
95.05015	2.6
96.95970	4.2
97.02950	6.2
99.00896	5.4
101.02446	12.6
106.52473	2.4
107.05022	5.9
109.06599	26.6
111.00907	6.3
113.02486	5.8
121.02923	5.8
121.06584	2.9
123.00897	2.6
123.04528	4.0
124.72099	2.7
125.09715	16.0
135.08188	8.1
139.07658	4.9
153.09206	7.8
161.04639	3.4
161.09720	3.0
163.11340	25.5
171.10281	10.9
177.05573	8.1
181.12320	6.0
185.11873	12.4
187.09770	5.7
191.10831	3.0
197.11827	20.6
199.09764	8.2
201.11185	3.4
205.79689	2.4
207.10278	69.2
207.12154	5.3
208.15529	2.6
209.11853	100.0
219.10207	3.1
225.11366	49.8
226.26332	3.1
227.12907	10.0
235.08241	5.4
237.11365	2.7
243.17436	3.9
253.09247	19.9
261.18689	4.4
277.18161	8.7
285.15024	3.9
287.16440	8.5
288.57574	2.6
295.19107	4.7
303.16068	19.7
305.17603	52.1
321.17093	10.4
323.18756	6.8
327.16086	3.4
343.19235	3.2
391.21072	2.9
443.19681	3.0
461.20395	19.3
495.27435	4.2
541.26538	11.9
557.25964	4.8
669.31183	7.3
671.33282	3.2
680.30499	5.5
698.31360	16.0
731.36499	11.4
749.38153	15.4
750.38977	3.4
767.39331	12.6
768.39722	7.0
785.41302	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	821.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.5
59.01389	35.1
61.98832	47.9
65.88613	3.1
71.01384	12.8
71.40747	2.9
72.32533	3.6
73.02950	5.3
78.95909	11.7
79.00335	3.2
80.37710	3.1
81.03473	8.2
82.95428	4.9
83.01385	3.9
83.05025	9.4
85.02971	4.4
87.00838	4.7
89.02449	9.1
95.05044	7.8
96.36002	3.0
96.96039	6.8
97.02916	5.2
97.06585	10.6
101.02432	13.2
107.05032	6.7
109.06586	8.1
113.02411	4.2
125.06075	4.7
125.09731	13.9
135.04501	3.0
135.08147	12.5
137.09691	6.1
143.07132	5.9
151.07635	5.6
152.99628	4.3
153.09221	14.3
161.09790	3.7
162.99167	3.7
163.07637	7.1
163.11299	16.7
165.12842	4.1
169.08771	4.9
171.10289	12.4
176.27176	3.3
181.08702	13.7
185.11821	13.7
189.12851	5.1
192.77751	3.8
197.11772	21.0
207.10300	9.6
209.11853	100.0
209.13739	7.3
217.15991	14.8
223.13403	10.4
225.11372	15.3
227.12833	7.6
235.08257	4.3
245.19138	11.0
253.09375	24.8
259.13510	10.0
261.14963	23.6
261.18176	4.4
277.14542	18.2
277.17731	4.0
279.16010	15.2
287.16470	14.2
289.18161	48.3
291.19751	3.6
295.15540	4.1
305.17615	67.0
306.17993	3.4
307.19199	39.9
323.18552	10.9
513.23431	4.3
541.26666	30.1
543.27875	3.8
803.42700	24.3
821.42883	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	821.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.7
61.98831	1.7
69.03446	0.8
70.54213	1.3
71.01389	8.7
73.02920	1.9
81.03052	1.0
81.03507	1.4
83.05043	4.8
84.02186	1.0
85.02967	2.3
87.00887	1.1
89.02454	5.6
95.05048	2.4
97.06585	1.4
99.04506	1.7
99.08215	0.9
101.02451	6.7
110.03744	0.9
112.05280	1.0
113.02474	4.1
115.07648	2.4
119.03533	1.5
125.06060	1.2
125.09750	4.5
127.07680	3.9
135.08165	3.0
137.09723	1.0
138.06845	1.0
139.07687	1.3
141.09134	1.2
153.09230	21.3
155.10846	0.9
161.04565	2.2
163.11316	3.3
165.12843	2.2
171.10284	28.3
178.09995	3.6
179.05659	1.2
185.11839	5.5
191.10840	2.6
191.14474	2.2
197.11870	8.6
199.13278	0.9
207.10368	1.1
209.11847	62.2
210.12126	1.7
211.13634	1.1
235.08247	2.3
236.10567	1.1
238.11951	1.0
245.19101	3.4
253.09273	13.4
263.20129	0.9
265.18109	1.2
277.21744	93.0
278.22043	5.2
279.19699	1.2
281.21194	0.8
289.18130	16.6
297.20908	1.5
307.19174	100.0
308.19489	4.1
325.16336	1.9
325.20212	36.4
326.20584	2.4
407.19418	2.0
525.27155	8.3
543.28186	31.8
544.28528	2.7
561.29205	5.1
734.42841	4.6
803.49609	17.2
804.50311	1.7
821.50592	7.2
822.50757	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	821.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.5
61.46673	0.7
61.98839	1.6
67.41859	0.8
69.03471	0.9
69.51938	3.7
71.01385	6.0
73.02951	2.3
83.01394	1.0
83.05046	1.3
85.02951	2.2
87.00886	1.9
87.74234	0.8
89.02457	3.6
95.67384	0.8
97.02945	1.1
99.00926	0.8
99.04546	1.2
101.02486	4.0
102.21428	0.8
104.96555	0.7
112.05242	1.1
113.02452	1.8
115.07661	1.2
125.09707	3.2
127.07652	2.3
135.08159	1.1
141.65698	0.8
145.05057	1.2
153.09225	11.7
161.04575	2.3
161.09639	0.8
163.11302	3.1
165.12871	1.0
171.10287	11.5
172.74995	0.7
178.10023	0.9
179.05612	0.8
185.11899	2.4
191.10852	1.5
197.11842	3.3
209.09865	1.0
209.11838	18.6
212.62514	0.8
222.21977	0.8
235.08258	9.4
245.19122	1.5
249.18599	7.0
250.18944	3.3
253.09265	12.6
277.21738	100.0
278.22052	2.8
279.19647	0.9
289.18076	8.7
291.19653	6.4
292.20001	3.6
307.19168	36.2
308.19366	1.8
309.20752	7.7
310.21121	4.6
318.49826	0.9
325.20206	16.2
525.27118	5.2
543.27954	6.9
727.68256	1.0
734.42688	1.7
758.18719	1.0
803.49597	9.2
821.50531	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	822.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98837	100.0
71.01390	0.4
72.28713	0.3
78.91896	0.2
80.91699	0.5
99.92616	1.0
100.74186	0.2
116.92873	7.0
117.92865	1.8
151.53873	0.2
171.10254	0.3
209.11928	0.4
210.12163	0.3
263.49701	0.2
294.94449	0.3
332.58099	0.3
507.45255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.2
61.98835	11.5
65.91604	1.2
68.33861	1.3
68.99802	1.2
69.49948	5.6
69.50276	1.6
70.62462	1.3
71.01389	18.2
71.55920	1.1
72.85465	1.3
73.02951	2.1
80.02686	2.1
81.03454	2.9
83.05033	5.3
85.02940	2.4
87.00864	2.9
89.02459	2.2
92.98859	1.3
96.96002	3.2
99.00901	1.6
101.02452	4.4
107.05009	3.1
109.06611	7.6
110.03758	1.6
111.00922	1.5
113.02451	2.2
119.03564	2.1
125.06090	3.7
125.09745	3.4
127.07652	1.4
135.08197	2.9
141.09222	1.5
153.09245	3.9
163.11269	9.0
165.12791	2.2
169.08699	5.3
171.10313	8.9
181.12369	1.4
185.11813	4.4
197.11858	8.6
199.09698	2.9
201.11356	5.1
207.10249	19.0
209.11848	100.0
210.12167	2.9
225.11334	17.6
227.12914	12.6
235.08136	3.6
237.11388	1.9
247.24660	1.4
253.09293	14.0
260.54160	1.7
274.07407	1.5
277.18182	2.8
279.19656	1.5
287.16458	3.7
289.18042	4.9
295.19177	2.3
305.17596	33.3
307.19159	21.4
309.20551	1.3
323.18600	6.2
325.20163	5.6
447.39307	1.4
461.20242	5.8
502.94745	1.4
541.26257	7.7
543.28229	1.5
700.33209	6.4
733.38123	3.6
751.39087	4.7
769.39679	2.9
770.41614	2.5
823.40051	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	823.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.8
59.74643	4.6
61.98836	100.0
70.32382	4.3
70.32721	11.3
71.01389	15.2
80.91688	6.2
82.50879	4.3
82.95415	6.2
83.05069	8.9
89.02431	6.2
96.96024	24.8
101.02463	5.7
125.09674	5.1
148.90820	5.2
153.09245	7.2
163.11299	7.8
165.12738	5.6
171.10313	16.5
185.11880	7.5
197.11850	9.7
209.11859	75.7
225.11360	8.4
227.12865	14.6
235.08244	6.3
253.09274	15.6
279.15933	7.7
279.19598	4.9
281.17581	6.0
289.18076	6.6
291.19650	9.0
305.17648	7.9
307.19119	34.5
309.20773	44.7
325.20245	7.9
355.58966	4.2
386.51819	4.9
468.36893	5.8
543.28223	6.9
545.29913	8.1
737.40979	11.2
755.42120	16.1
805.44958	5.7
823.43079	11.1
829.84509	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	823.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.7
61.98841	94.2
63.32225	8.4
71.01394	8.1
73.45274	7.6
83.05017	9.1
96.96021	46.3
112.07180	7.9
113.98445	8.3
128.24144	7.0
133.44492	7.5
171.10324	18.7
185.11984	10.3
209.11859	100.0
225.11430	10.4
227.12895	23.1
234.38000	7.4
253.09294	24.6
279.16049	12.3
289.18033	26.2
291.19626	36.5
307.19104	21.3
309.20856	96.8
333.51584	8.8
352.27386	8.5
483.26529	8.3
823.42676	34.6
824.42865	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	823.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92562	2.5
59.01382	32.0
60.78830	2.1
61.98840	14.3
64.22916	2.7
69.03446	3.4
71.01386	15.8
71.41916	2.4
73.02955	4.1
78.95945	2.7
81.03452	3.2
83.01388	3.4
83.05035	11.0
84.02203	3.1
85.02953	6.4
87.00903	4.1
88.98839	2.4
89.02477	9.1
95.05040	7.6
96.96003	11.4
97.02953	4.9
97.06599	10.2
101.02438	11.6
107.05049	8.5
109.06602	6.0
113.02499	5.9
113.06107	2.8
119.03530	2.9
121.02923	3.4
123.04501	5.5
123.08208	3.2
125.06113	4.1
125.09724	10.0
135.04539	2.7
135.08162	15.1
143.07140	5.1
145.05116	2.6
148.97575	2.2
151.11241	3.0
153.09239	15.5
161.04561	2.3
162.06879	3.6
163.07654	5.9
163.11307	8.3
165.09225	3.1
165.12863	11.2
169.08739	6.7
171.10295	11.8
178.09955	3.4
181.08730	26.4
181.12386	4.6
184.13971	2.2
185.11848	4.0
191.10847	2.5
193.15881	2.9
197.11855	13.6
207.10309	6.8
209.11830	72.1
219.17598	10.3
223.13353	3.4
225.11368	5.9
233.15437	4.8
235.08257	6.3
247.20641	5.7
253.09270	27.9
259.13495	17.2
261.18652	3.2
263.16504	17.7
277.14517	28.9
277.47983	2.4
279.15970	4.6
281.17593	31.1
285.19342	2.3
287.16504	6.4
289.18195	5.9
291.19681	75.7
292.20105	3.7
302.12061	2.8
305.17563	57.5
306.18094	2.5
307.19153	17.2
309.20755	100.0
310.21149	5.3
323.18665	8.7
325.20282	4.5
513.23169	2.4
541.26569	23.0
543.27417	3.2
559.27942	3.8
725.37518	6.4
736.37616	3.1
787.42303	3.9
805.44116	33.9
806.43994	3.8
823.45642	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	823.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.5
61.98836	25.3
67.84415	4.9
69.54768	22.5
71.01378	14.2
83.05015	9.8
85.02976	6.6
89.02447	6.6
92.92828	6.0
96.96024	5.7
97.06625	5.4
101.02480	7.2
107.05020	7.2
109.06586	6.7
110.03724	5.7
113.02442	7.7
116.92928	6.6
125.09726	10.2
135.08183	7.1
141.09238	8.4
149.32306	6.4
153.06552	4.8
153.09200	8.1
163.11317	11.7
165.12894	11.4
171.10236	6.3
191.10806	6.2
197.11836	22.2
200.50386	5.4
207.10202	15.0
209.11852	100.0
225.11307	12.3
235.08131	7.1
253.09248	12.4
253.18040	5.5
261.18649	10.6
263.16565	17.6
279.16116	6.9
281.17606	53.8
287.16586	11.9
305.17642	82.9
307.19205	13.2
309.20728	6.9
323.18613	12.4
541.26581	30.1
559.27496	6.8
604.86700	5.2
612.34344	5.4
663.34418	5.7
707.36676	5.9
711.95325	5.9
714.39661	5.3
725.37109	8.7
805.43707	46.9
806.94476	6.1
823.45935	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	825.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66383	0.8
61.98820	1.9
63.02398	1.1
65.00320	1.0
69.09196	5.3
71.01380	2.5
78.74438	0.8
82.02939	0.8
83.01413	0.9
85.02949	1.9
87.00851	0.9
87.04504	1.0
89.02451	2.3
93.03482	1.1
96.96007	1.2
100.04086	0.8
101.02438	2.0
107.01373	1.7
111.35213	0.9
113.02476	1.3
115.06652	0.7
117.03487	1.0
119.05025	0.9
125.02467	1.1
131.03493	0.8
133.02946	1.4
145.02901	0.9
149.02495	2.0
150.03226	2.1
151.00331	4.0
152.71617	0.7
154.04185	0.7
159.04390	1.1
160.04060	0.9
161.02397	1.6
163.04031	0.8
165.05565	3.0
175.04060	1.3
177.01955	0.9
177.04015	0.7
179.03436	0.9
183.04485	3.5
187.03983	0.9
193.05087	1.2
195.06644	1.3
196.07410	1.2
203.10616	0.9
211.03976	2.6
227.03520	32.5
228.03754	1.1
250.10773	1.8
255.03000	72.2
256.03552	5.2
269.04654	1.9
283.02509	56.7
284.03268	42.2
285.04047	41.7
286.04416	1.6
297.03775	1.0
299.02170	0.9
410.38434	0.8
446.08582	1.1
447.09378	1.1
471.09393	4.1
489.10263	3.5
531.11469	100.0
532.11859	3.2
545.38409	0.8
555.22504	2.0
578.12433	2.7
603.24139	1.6
645.15417	1.2
663.15814	11.5
675.15796	3.9
719.95050	1.0
749.87109	1.1
825.22083	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	825.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.98838	10.1
65.00347	0.8
69.15523	3.5
69.72634	0.6
78.81625	0.7
85.02957	0.9
89.02454	1.8
96.96008	1.7
101.02454	0.8
107.01403	1.8
111.00918	1.3
113.02473	0.7
117.03444	1.4
121.02937	0.7
133.03006	0.6
135.00906	0.7
151.00359	4.3
159.04559	1.2
161.02484	0.9
161.04555	0.7
161.32959	0.7
163.04019	0.7
171.04544	0.6
174.22971	0.6
175.04126	0.7
183.04544	3.3
185.02473	0.6
191.05606	0.6
193.05115	1.0
211.03967	3.6
213.05510	0.7
227.03525	26.4
228.04004	1.0
239.03465	0.8
241.04861	0.7
255.03006	79.9
256.03671	4.9
257.04422	0.8
269.04526	0.7
283.02499	73.8
284.03271	70.9
285.04050	23.1
285.07297	1.2
297.04077	0.7
358.50653	0.6
446.08630	4.7
501.10736	5.0
531.11505	10.0
578.12427	0.7
581.20697	0.6
600.33917	0.8
603.13629	1.6
663.15723	100.0
664.16125	4.9
825.20129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98841	1.1
65.00314	1.0
69.67230	2.0
83.01405	0.8
83.14105	0.6
85.02969	1.8
89.02488	0.6
93.03493	1.2
101.02470	1.0
107.01381	1.8
111.00887	1.6
113.02407	0.8
117.03441	1.2
121.02966	1.0
134.03767	1.3
135.00941	0.7
151.00385	3.3
153.01881	0.7
159.04555	1.5
163.03983	0.9
165.01962	2.1
169.06580	0.7
172.04414	0.7
180.04262	1.4
183.04506	3.2
187.04074	1.2
193.05017	1.0
193.65480	0.6
195.06528	1.5
208.65935	0.6
211.04012	2.3
213.05737	0.7
213.42906	0.8
227.03523	23.0
229.05099	2.5
239.03477	0.8
255.03008	75.7
256.03601	5.7
257.04654	2.2
267.03036	0.8
269.04568	0.9
283.02505	71.5
284.03278	69.6
285.04062	45.6
286.04437	1.8
311.68335	0.7
323.70743	0.8
326.04462	0.8
327.05154	0.8
373.15186	1.9
446.08493	2.8
489.10532	1.6
501.10245	1.1
531.11517	23.8
532.12164	1.0
580.48975	0.6
663.15741	100.0
664.16016	7.1
825.20929	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	825.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35705	2.3
59.01379	13.5
61.98835	100.0
62.73869	1.8
69.64703	9.4
71.01385	5.8
78.18233	2.3
82.48367	2.0
89.02493	2.6
96.95996	2.0
101.02461	4.8
103.01508	4.1
107.04911	2.2
115.21188	2.1
116.92853	5.1
161.04427	2.4
171.10262	4.0
179.81018	2.1
201.11333	19.2
209.11829	27.6
227.12814	4.5
235.08241	3.2
253.09386	3.6
255.03015	17.6
283.02448	27.1
284.02921	6.1
298.84274	2.4
307.19003	14.5
325.20218	7.0
338.32797	2.5
446.19412	2.0
543.28125	6.5
544.28235	2.6
566.10626	3.0
727.12836	2.2
727.38605	13.6
735.39227	2.9
745.39410	3.2
753.40369	5.4
762.20319	3.7
825.18652	4.2
825.39886	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	825.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.9
61.98839	6.2
62.63340	0.9
66.91315	1.1
69.03471	1.2
69.68404	3.9
71.01384	8.1
73.02927	1.5
80.02688	1.1
81.03458	1.3
83.05048	5.7
85.02960	3.0
87.00896	1.2
89.02444	3.7
92.00674	1.0
95.05048	4.1
96.96037	2.8
97.02975	1.4
97.06591	5.3
98.22711	1.2
99.08186	1.0
101.02449	6.0
109.06590	2.7
111.08176	1.4
113.02442	2.9
115.07655	1.3
116.92876	4.7
119.03511	1.3
120.39847	1.1
123.00754	1.1
123.08193	1.5
124.01648	1.0
125.06106	3.7
125.09712	4.3
127.07653	2.9
135.08188	5.1
137.09737	1.2
139.07645	1.2
141.09270	1.9
143.07143	16.1
153.09224	16.5
155.10768	1.4
157.08754	2.3
161.04512	2.5
162.47130	1.0
162.98581	1.0
163.07652	3.6
163.11301	5.4
165.09155	1.5
165.12830	5.6
169.08694	5.2
171.10304	8.6
177.12819	1.3
179.14395	2.3
181.08731	10.6
181.12350	3.0
185.11789	2.2
193.15965	1.6
197.11853	1.9
209.11821	8.5
210.08945	2.2
214.02536	1.1
217.15993	5.7
218.57677	1.1
219.73811	1.0
223.13411	2.4
235.08336	4.8
235.17018	2.4
245.19164	1.4
247.20770	5.3
253.06850	2.0
253.09322	20.8
255.17633	1.2
261.14984	8.9
263.16556	1.8
269.17645	1.0
273.18588	2.9
275.16815	1.4
279.16058	35.6
279.19153	2.0
281.17715	5.8
289.17947	2.1
291.19684	78.8
292.20148	2.2
297.17114	13.0
307.19229	10.2
309.20734	100.0
310.21017	2.8
313.68585	1.1
325.20148	5.8
327.21741	1.5
402.65918	1.1
515.25037	3.0
527.28650	1.1
543.28320	3.3
545.29779	1.4
561.29358	1.4
607.37286	1.1
738.38312	3.8
789.43988	1.4
807.45477	7.4
825.46674	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	825.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.5
61.98824	12.6
62.54586	1.5
70.64848	2.9
71.01386	10.7
73.02948	2.8
81.03452	3.5
83.01407	1.9
83.05038	8.9
84.02153	1.5
85.02976	2.9
87.00874	2.4
89.02447	6.8
95.05031	4.2
96.96018	2.7
97.02974	2.5
97.06584	8.6
99.04495	2.6
101.02460	6.1
110.03734	2.7
113.02452	4.8
119.03474	1.6
125.06053	2.4
125.09747	5.8
127.07648	4.4
135.08192	8.8
137.09732	1.8
141.09267	1.5
143.07143	5.1
151.11304	4.4
153.09219	23.2
155.10825	2.3
161.04587	4.1
163.11299	6.6
165.09248	4.1
165.12840	8.1
171.08798	2.0
171.10283	41.3
177.12816	1.8
178.10046	2.8
179.05600	1.4
181.08640	3.2
181.12416	1.6
185.11906	6.9
191.10823	3.1
191.14471	2.1
197.11841	8.9
209.11845	68.5
210.12175	2.1
219.14015	2.3
219.17545	18.4
227.12788	2.4
235.08258	4.9
236.10452	1.9
238.12115	2.7
245.15639	1.6
245.19164	4.2
253.09322	20.4
263.16537	48.4
264.16690	1.9
265.18042	1.9
279.19827	2.6
281.17603	64.7
282.17783	2.4
289.18152	19.1
291.19849	3.0
297.20651	1.7
307.19162	100.0
308.19458	3.7
309.20673	2.7
325.20255	41.9
365.62045	1.8
525.26941	2.8
539.27618	1.6
543.28149	39.4
544.28876	1.5
561.29529	8.8
738.38153	3.3
789.42755	1.9
807.45355	11.5
825.46185	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	825.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.4
61.18289	2.2
61.98844	17.2
69.81990	5.9
71.01381	10.2
76.37022	1.9
83.05013	5.2
84.02171	2.8
85.00461	4.9
85.02957	3.8
89.02450	4.4
95.05040	4.2
97.06586	2.5
99.04524	4.4
101.02457	5.6
109.06607	2.7
111.08170	3.3
111.96458	2.2
113.02404	4.7
113.09765	3.2
115.07655	4.6
125.06097	2.6
125.09761	5.6
127.07654	5.3
135.08208	4.8
137.09732	4.8
139.07706	2.5
139.11354	3.2
141.09247	4.9
153.09232	18.8
155.10783	2.2
161.04579	7.7
163.11386	4.9
165.09229	4.0
165.12877	6.8
167.10791	2.8
171.10266	32.1
174.52063	1.9
177.02164	2.1
178.09966	4.3
179.05624	3.0
181.08733	2.9
185.11864	8.7
191.10710	3.9
191.14432	2.7
197.11856	17.3
209.09850	4.4
209.11845	81.3
210.12160	2.8
216.91365	2.0
219.17567	7.8
227.12791	10.3
235.08311	7.3
245.19147	5.9
253.09274	21.2
263.16525	21.9
279.16077	7.3
279.70853	2.9
281.17606	81.4
283.19095	2.5
289.18146	27.8
291.19614	5.6
291.32559	2.4
305.17496	3.0
307.19177	100.0
308.19739	2.4
309.20706	15.7
325.20233	32.4
325.23822	3.7
329.22473	2.2
385.59576	2.2
407.18600	2.9
517.26703	5.2
525.27087	5.2
543.28192	30.0
561.29303	6.4
738.37665	5.3
807.45178	16.7
816.27216	2.7
825.35846	8.8
841.89972	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	825.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.5
61.98827	5.4
70.67541	7.1
71.01386	13.2
73.02949	5.7
76.11140	2.8
78.95946	2.7
83.05040	10.9
85.02962	6.0
89.02444	8.3
95.05051	6.9
95.73421	2.7
97.06600	8.1
98.50997	3.2
101.02453	13.7
109.06606	3.3
111.08222	4.3
113.02456	8.9
113.09702	3.6
115.77940	2.7
116.92955	4.2
123.08191	4.5
125.09727	7.8
127.07690	6.0
135.08211	7.4
141.09247	5.0
143.07155	12.5
149.09708	4.1
153.09253	23.4
155.10768	4.7
161.04599	5.1
163.11320	4.7
165.12895	6.0
171.10291	18.8
178.10094	3.1
181.08759	7.7
181.12360	6.0
183.13731	2.9
184.05244	3.0
185.11900	6.2
197.11850	9.9
207.92566	3.0
209.11845	51.3
217.15967	5.8
219.17566	7.5
235.08244	12.3
237.18672	3.4
241.54634	3.4
253.09291	28.3
261.14874	10.0
263.16525	12.1
263.20200	4.7
279.16083	36.3
281.17599	59.1
289.18085	12.0
291.19632	38.0
297.17111	11.5
307.19223	62.0
309.20731	100.0
310.20834	3.0
311.22336	4.0
325.20227	24.5
388.74307	3.3
515.24963	3.7
525.27441	3.8
543.28168	23.4
545.29749	21.8
561.29480	3.4
738.38135	10.6
771.16284	3.2
807.46021	17.3
825.46515	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	825.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	11.1
61.98845	5.7
64.05303	4.4
69.19073	28.9
72.76234	4.1
98.21906	11.4
103.01486	4.8
108.92844	4.6
129.10358	19.3
140.07126	9.5
155.08325	5.9
165.10381	4.9
168.11549	4.8
182.13036	5.5
193.40683	4.1
207.15062	12.3
242.18735	13.6
295.21252	7.9
337.25916	5.8
782.51697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.5
60.99325	0.6
61.98832	5.1
63.02399	1.7
65.00346	2.1
71.01392	4.6
73.02965	1.0
83.01398	2.2
85.02963	2.3
87.00887	1.5
88.98832	3.1
89.02451	2.5
93.03483	2.9
95.01395	0.8
96.96030	1.6
101.02494	3.6
104.99910	0.7
107.01397	4.8
109.02954	0.8
111.00870	1.1
113.02463	1.8
117.03468	3.8
119.03590	0.8
119.04987	0.9
121.02991	2.0
121.60973	0.7
122.03778	1.0
123.04472	0.9
125.02445	0.8
129.01953	1.0
132.02194	2.6
133.03036	1.7
134.03751	2.5
135.00841	1.6
135.04538	1.5
137.02435	1.1
141.03471	0.9
143.05043	0.8
145.03020	0.7
147.00888	1.3
147.04660	0.9
149.02448	1.1
149.06064	1.0
150.03252	3.9
151.00385	10.0
155.05064	1.3
159.04485	1.6
160.01672	10.7
161.02483	5.3
161.04559	1.1
163.00404	1.4
163.04028	0.7
165.01978	2.6
165.05569	3.4
166.02690	1.3
169.01471	0.9
171.04689	0.9
173.02431	0.7
175.04051	6.9
176.04832	0.8
177.05540	0.8
178.02844	0.8
178.99847	1.0
179.03508	2.3
180.04338	1.6
181.05087	1.6
183.04500	7.9
185.02519	0.9
185.06119	1.5
187.03992	1.5
193.05066	1.9
195.06676	4.9
199.04012	1.5
211.04034	6.0
213.05632	1.4
227.03513	26.6
229.05060	2.3
239.03500	2.2
255.03004	100.0
256.03693	6.2
257.04639	2.5
267.02994	0.8
268.03668	0.7
269.04526	4.0
281.04608	1.1
283.02512	99.2
284.03262	46.0
285.04071	80.2
286.04410	2.5
298.04828	1.5
299.05646	4.7
309.07593	0.7
323.07684	6.5
326.04257	0.8
327.05151	0.8
337.09290	1.7
342.11050	2.3
351.10852	1.8
357.13370	7.0
373.12796	1.4
387.14053	1.5
421.15030	1.1
429.08392	6.5
489.10434	70.5
490.10678	2.9
503.12030	3.5
531.11285	1.9
602.39191	1.2
622.13287	15.5
623.14050	27.8
624.14471	1.9
665.37457	1.0
683.39136	3.1
767.18506	1.7
827.20459	24.6
827.42548	2.7
828.21405	1.7
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
59.01378	1.3
62.85062	0.4
69.03450	1.2
71.01379	1.0
71.03976	0.7
75.64376	0.3
83.05024	0.7
85.02959	5.1
95.05048	0.8
96.53843	0.4
96.96027	0.5
97.02938	0.5
97.06603	2.6
125.09739	0.6
127.11309	1.2
137.09764	0.9
155.14447	0.4
165.12885	0.8
167.14423	0.8
169.03227	0.4
171.10301	11.2
177.12849	0.8
183.13925	3.2
185.11842	0.9
193.12402	0.9
194.78645	0.3
203.10924	0.5
209.11876	1.3
211.13422	15.2
212.13785	0.4
221.11885	3.0
229.14467	11.1
230.14850	0.5
239.12871	1.5
253.09198	0.4
291.19711	2.7
309.20724	0.5
327.21793	100.0
328.22110	4.1
340.97354	0.4
367.23148	0.4
795.27325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	0.3
60.43692	0.1
61.31964	0.1
61.98840	0.5
64.80084	0.1
68.29906	0.1
76.26967	0.1
89.74065	0.1
121.02974	2.9
123.51558	0.1
150.07689	0.1
186.77524	0.2
204.99321	0.2
228.86465	0.2
253.08969	0.2
352.27951	0.2
419.17883	0.2
667.44904	0.2
786.25726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
62.93843	0.4
65.00336	1.5
70.10345	1.1
71.01373	1.1
73.02946	0.5
73.70635	0.5
75.79002	0.4
92.73264	0.5
101.02454	0.5
107.01380	1.6
108.02181	0.5
109.02937	1.2
126.19516	0.4
133.02971	0.7
135.00934	0.6
145.05093	0.6
145.98874	0.4
147.00890	0.8
151.00369	4.5
171.04601	0.6
175.04002	1.2
178.99864	1.8
199.03983	3.5
201.01955	1.4
215.03488	1.6
218.00597	0.5
226.02783	0.7
227.03563	3.5
242.02151	0.8
243.03035	5.2
254.02068	0.6
255.02992	6.8
271.02509	71.2
272.02908	3.3
275.47943	0.5
299.01993	100.0
300.02728	39.7
301.03558	12.3
302.03900	0.6
461.07220	1.6
462.08087	14.9
463.08563	1.7
492.71002	0.5
505.09579	0.6
607.13123	1.0
667.15240	72.8
668.15448	5.6
829.20636	18.8
829.33350	0.4
830.20966	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.5
62.44600	0.7
65.00354	2.4
71.01396	1.2
71.12762	0.7
73.75706	0.7
77.54292	0.7
78.43379	0.7
89.02438	1.4
101.02432	0.9
107.01410	2.2
109.02984	2.1
113.39038	0.8
121.02983	1.2
123.98330	0.8
126.62226	0.8
151.00395	7.7
164.04810	1.1
171.04546	1.3
178.99872	2.4
188.25000	0.7
199.02550	0.8
199.03923	3.7
201.01974	1.6
201.05533	1.0
208.03755	0.9
215.03528	1.6
223.06090	2.0
227.03496	4.7
243.02995	6.6
255.02969	7.9
271.02499	70.5
272.02826	3.6
299.01990	100.0
300.02750	44.7
300.06302	1.1
301.03525	35.0
302.03958	1.7
313.69171	0.8
374.22989	0.9
462.08087	11.4
463.08990	5.5
625.13995	1.2
667.15204	57.9
668.15143	3.6
786.37775	0.9
829.20428	35.9
830.21088	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	829.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.0
63.02417	1.0
65.00336	1.5
71.01375	1.3
73.13809	0.6
84.76430	0.7
85.02921	0.9
87.00857	1.8
89.08568	0.7
96.20757	0.7
99.04491	1.1
105.98160	0.7
107.01392	1.6
109.02956	1.4
121.02969	9.5
133.02983	1.2
133.88609	0.7
135.03081	1.0
135.04520	1.1
142.96706	0.9
151.00397	9.3
163.00450	1.0
171.04544	1.4
175.04070	1.0
178.99896	2.7
188.68925	0.8
190.99857	0.8
191.05734	0.9
199.03973	3.8
201.02065	0.9
211.04123	0.9
213.02055	0.8
215.03497	1.6
226.49724	0.7
227.03490	3.8
243.02997	5.6
246.99977	2.4
255.02991	8.1
271.02490	71.6
272.02957	3.5
273.03882	0.8
290.98959	1.1
299.01984	100.0
300.02740	47.1
300.06335	1.1
301.03519	29.8
302.03839	1.0
313.03531	0.8
339.72263	0.7
343.04932	0.9
462.08081	10.3
463.08633	2.4
569.77435	0.8
613.31519	0.8
625.14124	1.3
667.15210	56.7
668.15656	5.2
697.23694	2.0
787.19824	0.9
829.20514	32.6
830.20746	2.6
847.36157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.1
60.91261	0.4
61.98821	1.3
70.23880	0.8
70.24212	1.1
71.01391	6.7
72.20200	0.5
73.02956	1.2
83.01388	0.7
85.02958	2.1
87.00906	0.6
89.02460	4.7
93.86378	0.5
95.01363	0.5
97.21658	0.4
98.21941	0.6
101.02451	4.4
113.02448	3.1
116.92859	0.6
117.03481	2.0
119.03508	2.1
119.05038	1.2
121.02956	2.2
123.04552	1.4
132.02194	10.8
133.02969	8.2
134.03763	14.8
135.04543	12.4
145.02963	1.7
149.06061	2.7
151.00386	0.8
153.05612	0.7
159.04529	0.6
160.01675	56.6
161.02467	34.4
161.03513	0.5
161.03929	0.6
161.04474	1.0
162.02800	0.6
163.03979	0.8
175.04019	72.1
176.04732	2.7
177.02013	0.6
177.05594	1.2
177.99840	0.5
178.02719	2.3
178.99898	0.5
179.03511	2.7
179.07188	0.5
191.07159	1.9
193.05072	8.8
217.05022	0.5
221.04509	0.7
235.06120	2.9
255.03055	0.8
271.02600	0.7
284.02997	0.7
285.03876	1.0
297.09830	0.7
299.02066	0.8
315.10812	4.3
337.09314	16.2
338.10019	0.6
406.20779	3.6
407.20810	1.2
432.85843	0.5
491.15625	100.0
492.15829	4.9
575.65631	0.6
580.32678	0.7
594.66559	0.7
653.14819	1.1
829.26178	3.6
829.41528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.2
69.03449	1.4
71.01388	42.1
72.99324	1.5
73.02956	17.8
81.03431	1.5
83.01391	7.9
84.87140	1.3
85.02957	17.1
86.00111	2.4
87.00874	10.8
87.04517	1.8
89.02435	15.3
95.01418	1.5
97.02953	4.3
99.00875	3.7
99.04478	2.1
101.02451	24.3
103.04013	2.3
109.02947	10.7
113.02448	8.6
115.03990	2.1
119.03481	3.6
121.02954	3.4
123.04542	1.8
125.02461	7.1
131.03491	3.9
134.03772	3.7
137.02455	1.9
143.03479	4.4
145.05138	1.3
159.04558	3.6
161.04562	3.4
172.05298	1.5
173.06097	3.3
187.07590	1.7
189.05466	2.7
193.05058	7.8
205.07124	4.4
221.06642	2.4
226.78058	1.3
241.05064	6.0
253.05042	1.6
255.06563	3.2
267.06531	2.9
281.08148	4.3
299.09073	4.4
311.09229	4.7
313.10834	7.9
325.11032	1.6
326.11514	5.1
329.10590	2.1
341.13797	4.7
342.83810	1.4
344.12698	19.4
345.13208	2.7
359.15033	36.3
360.15198	2.4
379.16116	2.4
521.20093	4.7
649.24957	5.5
667.26099	55.3
668.26349	2.5
683.24823	3.4
770.10278	1.9
829.31360	100.0
830.31665	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	829.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01722	3.1
60.90672	3.2
61.98824	13.0
74.89700	2.8
88.98801	5.3
96.96018	7.1
101.53004	3.0
109.06623	5.3
116.12038	3.0
121.02947	5.8
134.60872	3.3
163.11374	4.4
205.71545	3.3
207.10266	13.7
209.11902	17.2
225.11433	5.2
290.59793	3.9
305.17554	5.2
307.19101	6.1
307.56619	3.8
437.99829	3.7
519.38763	3.9
579.00867	3.9
595.64063	4.6
713.05084	3.7
726.36322	3.6
733.38483	4.2
769.40112	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	829.453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98824	28.1
63.79274	13.6
69.52350	33.0
69.52758	47.4
71.01340	14.9
77.63312	13.8
101.97967	16.0
103.01504	44.2
116.92873	29.4
134.89494	41.3
135.29657	14.2
151.47148	15.5
227.12933	29.3
249.18623	46.5
253.09377	24.5
261.15012	19.9
271.38007	14.2
277.21759	97.4
279.16058	32.2
307.18930	16.1
621.29254	16.3
695.19714	16.8
715.84558	16.9
775.46411	45.1
829.45508	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	829.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.8
60.16970	6.7
61.98823	8.6
70.23623	16.2
71.01391	8.3
75.65574	6.5
83.57140	7.2
88.61272	6.8
88.98812	8.8
89.02440	11.7
90.55199	6.6
97.05843	8.2
101.02442	8.2
116.92885	14.0
153.09271	12.5
161.04602	9.5
171.10242	29.4
201.50276	7.7
204.74167	8.5
209.11845	26.8
214.17680	8.4
249.18600	88.3
253.09222	9.1
289.18060	16.8
307.19131	100.0
309.69138	8.2
325.20361	44.2
525.26917	17.0
543.28235	62.4
667.08887	10.8
706.38867	9.5
775.46533	61.7
793.47021	18.9
829.45746	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.2
60.59980	4.3
61.13634	4.1
61.98837	100.0
63.43987	5.1
67.63615	4.3
82.41484	4.4
90.56018	4.2
96.96029	5.3
102.44383	4.4
102.59104	3.9
109.06637	8.5
121.61179	3.9
123.18111	4.0
135.08087	4.8
136.65176	4.0
151.43092	4.9
167.43291	4.5
207.10364	13.1
229.04610	6.7
289.18109	7.0
307.19202	8.3
383.43909	4.4
673.47070	5.3
733.38440	11.1
751.39795	13.3
764.30029	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	830.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98835	100.0
80.52376	0.2
95.08115	0.2
98.22703	0.3
110.74139	0.2
171.36824	0.2
209.11797	0.3
216.00430	0.2
224.45811	0.2
355.26526	0.2
487.45422	0.2
535.03851	0.2
572.10645	0.2
702.58710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.0
60.01720	0.8
61.01799	0.5
61.98835	100.0
68.98882	0.3
69.06139	0.7
69.06560	1.2
71.01397	1.0
71.73272	0.2
89.02450	0.6
101.02452	0.6
102.05603	0.2
102.20041	0.3
105.24457	0.3
106.16151	0.3
110.84622	0.3
116.92866	0.5
127.81438	0.3
167.78612	0.3
209.11885	0.4
651.41669	1.2
831.48663	1.3
843.23108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.39585	6.8
61.98824	21.9
64.03981	6.3
70.95858	10.6
71.01381	57.1
73.11043	6.5
81.03485	6.1
83.05048	9.8
85.02965	19.9
87.00890	13.0
89.02463	45.8
96.96013	10.5
97.02946	22.7
101.02448	29.8
101.72989	6.8
109.06614	51.1
110.03779	9.3
113.02441	14.7
116.92885	14.2
118.00828	6.4
118.03396	7.1
125.02465	9.7
125.09710	30.1
135.56305	6.4
140.45081	6.0
158.93826	16.8
161.04562	7.6
163.11314	33.7
170.69757	6.4
179.05579	10.8
181.12354	6.8
187.09680	6.7
198.47636	6.6
207.10281	91.1
209.11838	28.1
219.10245	6.6
221.06500	9.2
223.09770	8.0
225.11359	51.5
245.91032	6.3
248.09973	5.8
269.95657	6.1
306.12009	6.5
389.19479	7.9
397.13483	25.9
397.19464	9.7
415.21185	25.0
433.22284	15.6
435.24710	6.6
443.19937	9.2
623.25891	13.6
769.33081	15.7
771.45258	18.8
785.36017	8.2
787.34314	40.2
795.34216	21.4
813.35681	97.1
814.35992	10.5
831.36316	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	38.2
61.66283	8.8
61.98831	14.1
70.27032	8.9
71.01401	10.8
88.98808	65.9
89.02415	10.7
93.42706	10.3
94.92492	10.7
95.03436	9.1
98.22688	26.7
103.01501	24.9
116.92873	17.9
169.26616	9.1
171.10272	15.5
226.06905	12.0
234.89201	9.8
249.18568	42.6
253.09224	50.3
292.16977	9.2
309.20816	22.7
314.03137	9.9
327.21732	100.0
545.29370	17.2
563.30328	17.9
805.87738	12.4
831.46814	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.5
61.98839	2.1
63.02414	0.8
63.10266	0.3
65.00347	1.1
71.01372	1.9
71.42151	0.5
73.02952	0.4
83.01386	0.7
85.02982	0.5
89.02458	1.2
93.03475	1.1
101.02464	0.9
107.01411	1.4
109.02970	0.4
110.44268	0.4
113.02473	0.7
114.05639	0.9
117.03468	2.0
129.80328	0.4
133.02942	0.6
134.03700	0.8
135.00874	0.4
135.04544	0.5
143.05099	0.4
145.02928	0.6
151.00386	3.2
155.05060	0.5
159.04529	0.9
167.04982	0.4
171.04553	0.5
175.03877	0.6
178.36079	0.4
182.03777	0.5
183.04517	6.2
185.02448	1.0
193.05093	1.0
199.04002	0.9
211.03998	4.2
213.05409	0.5
227.03519	5.4
239.03488	0.8
247.34631	0.4
255.03003	62.8
256.03445	2.5
268.03571	0.5
283.02502	100.0
284.03098	7.0
285.04065	23.7
286.04208	0.5
297.04123	0.4
305.19232	0.4
326.04156	0.5
327.05151	0.8
405.14633	0.4
421.27310	0.5
471.09198	1.4
471.43686	0.5
502.11185	0.5
531.11456	13.5
532.11652	0.8
573.12750	0.7
584.13934	2.1
585.14905	27.7
586.15625	9.3
601.08801	0.4
618.69653	0.4
751.93463	0.5
772.20868	1.6
790.21466	0.5
831.46179	0.9
832.23102	20.0
833.22955	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	832.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98836	100.0
70.06843	0.1
70.07165	0.3
71.76060	0.1
75.74505	0.1
84.77284	0.1
88.50021	0.1
92.67981	0.1
94.37621	0.1
95.86191	0.1
98.21937	0.1
111.42625	0.1
489.21542	0.1
492.47534	0.1
669.12634	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	832.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	49.8
68.71033	0.4
69.31046	1.7
75.13496	0.4
81.42617	0.4
85.39573	0.5
98.21835	0.8
131.59082	0.5
132.98224	1.3
174.99265	30.2
190.33969	0.4
192.95874	1.5
201.02588	2.4
201.04265	0.4
217.00316	100.0
218.00714	1.5
233.22777	0.4
265.38177	0.5
350.94675	0.6
357.11102	0.5
359.01489	3.7
360.01776	0.6
374.99240	55.9
375.99515	1.2
410.70486	0.5
424.36169	0.4
501.18634	0.5
517.00452	2.6
532.98230	27.6
533.98920	0.9
674.98218	0.7
690.97095	6.2
832.45551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
69.80573	0.9
71.01385	2.8
83.01378	0.3
84.78996	0.2
85.02959	0.6
89.02454	1.9
95.01421	0.3
97.02956	0.7
101.02461	1.6
109.06596	1.2
113.02444	0.9
119.03510	0.6
125.02458	0.4
125.09727	0.4
132.04541	0.3
134.06111	1.3
145.53999	0.3
152.07222	0.4
158.02487	0.7
161.04611	0.3
163.11288	1.4
179.05653	0.3
181.12280	0.4
190.05069	2.8
190.13542	0.3
192.06679	0.4
193.80820	0.3
198.09245	2.4
202.08754	0.5
207.10295	4.0
209.11826	6.2
212.05983	0.6
212.10828	0.5
223.08823	0.6
224.09538	0.3
225.06700	0.4
225.11365	2.4
226.07404	1.5
227.12939	0.9
228.09030	2.3
239.11914	11.1
241.09839	73.7
242.10207	3.6
243.11363	1.8
255.11406	1.1
256.12189	44.1
257.12448	1.6
277.09702	0.4
300.11191	9.5
301.11542	0.5
305.09137	0.3
313.13422	0.3
314.12396	0.4
315.13525	100.0
316.13797	4.6
323.10056	0.4
337.11969	3.6
338.12717	0.4
393.12344	0.3
397.13562	2.1
398.15302	0.5
415.14557	0.6
517.18304	16.0
518.18811	2.7
541.50476	0.3
725.28363	1.6
757.30750	1.1
797.35608	0.6
815.37787	1.2
833.36462	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	833.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.7
61.98832	4.3
69.03457	1.5
71.01085	0.8
71.01388	22.7
72.99326	1.1
73.02954	3.8
80.02679	2.0
81.03461	3.4
83.01390	2.3
83.05029	8.8
84.02165	2.0
85.02953	5.7
87.00848	3.8
89.01932	1.5
89.02448	17.3
93.03459	1.4
95.01388	1.6
95.05030	2.1
96.96017	1.8
97.02962	8.6
97.06582	1.6
98.21818	1.7
99.00901	2.8
99.04474	0.9
100.10558	0.8
101.02448	15.6
103.09540	0.8
106.24682	0.7
109.06597	21.9
110.03731	3.1
111.00867	1.5
111.04523	1.2
113.02455	8.8
116.92859	0.9
119.03524	3.9
119.33312	1.0
121.06596	1.7
123.04479	1.1
125.02442	6.0
125.06046	1.4
125.09721	2.8
131.03517	1.0
135.08163	2.8
136.05278	1.3
141.01770	1.2
143.03528	1.8
144.52061	0.9
147.11650	0.9
158.93896	1.8
161.04567	3.3
161.09692	1.8
163.11299	18.8
163.12677	0.9
165.12831	2.5
171.10275	2.9
179.05621	3.7
179.08649	0.8
179.10672	0.9
181.12325	3.8
185.11885	1.4
191.10696	1.1
197.11844	1.0
207.10274	62.3
208.10677	1.7
209.11839	100.0
210.12160	4.4
217.12460	1.1
221.06526	2.2
225.11334	33.8
226.11467	1.4
227.12909	9.8
231.10208	1.0
235.08263	2.9
243.12364	1.7
247.13553	1.1
249.11320	2.2
253.09262	1.0
263.12875	1.9
305.08951	2.0
357.83176	0.7
373.23984	1.4
379.12372	1.6
389.23083	1.1
397.08670	1.6
397.13559	23.5
398.13937	1.0
399.21762	3.0
410.17160	0.9
415.14670	6.4
417.22833	5.4
418.81183	0.9
435.23834	1.8
565.61737	0.9
605.24506	4.5
607.26276	1.1
623.25476	5.6
679.23889	0.9
687.37775	1.1
797.35883	10.2
815.37061	17.2
816.37634	1.9
833.37720	26.2
834.38147	2.3
839.54846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4903
Annotation	Notoginsenoside J
Peak:m/z	Relative Intensity
59.01387	55.6
61.98837	100.0
71.01387	37.3
73.02934	6.8
83.01379	5.8
85.02959	11.3
88.71028	3.6
89.02437	15.7
95.01418	4.2
101.02436	16.9
113.02448	12.1
116.92879	4.3
119.03531	4.9
149.37715	3.2
330.37299	3.0
331.90292	3.5
389.82736	3.6
410.81989	3.5
550.58154	3.4
653.42725	44.2
654.42847	4.8
680.16583	3.8
833.49280	75.1
834.49353	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	834.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
59.04945	0.2
61.98836	100.0
63.56558	0.2
69.22277	0.8
69.22681	0.3
73.84000	0.1
79.71529	0.2
98.21898	0.4
197.99213	0.2
209.11722	0.2
258.09024	0.2
627.66669	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	834.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.3
61.98834	100.0
64.46003	0.3
64.70858	0.2
67.55892	0.3
70.96122	0.3
74.32146	0.2
80.98362	0.2
127.03520	0.2
182.22412	0.2
209.11906	0.5
304.00119	0.2
309.20975	0.3
398.81470	0.3
644.43835	0.3
660.20984	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.1
61.98831	100.0
69.96863	13.4
85.91914	14.8
160.97162	14.6
163.11198	13.3
209.11848	92.9
228.45551	13.5
249.18527	67.7
253.76840	14.0
305.17715	79.4
323.18695	20.3
452.77994	15.3
541.26825	40.7
773.44604	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.491
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85790	1.9
59.01385	3.7
61.98835	64.9
70.26415	1.7
78.91899	5.9
78.95934	2.1
80.91687	6.7
85.60106	2.2
87.05665	2.5
96.96004	5.7
98.22689	4.3
98.95612	2.2
129.10367	10.2
139.08798	4.9
155.08275	2.3
155.11876	2.6
162.70923	2.6
165.10324	3.0
197.11818	2.3
199.10892	6.8
207.15051	7.2
224.17674	4.6
240.17371	2.4
242.11899	2.5
242.18704	7.0
283.49423	2.2
337.26260	9.7
355.26868	3.6
798.51428	100.0
799.51660	12.1
834.49158	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	834.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98840	40.8
63.83028	1.3
69.27023	6.3
71.01384	2.3
80.64267	1.3
82.06638	2.0
82.95470	1.2
85.00456	2.1
87.05644	3.4
96.96069	1.3
97.04107	1.8
111.00879	1.7
112.07695	1.3
118.06676	1.2
121.04153	1.8
129.10355	15.8
139.08778	3.1
140.07217	1.6
146.06071	1.4
155.08383	2.9
155.11885	2.1
156.08136	1.2
164.07182	1.6
164.09612	2.9
165.10284	2.9
183.11397	2.8
200.14107	7.6
207.15012	14.2
209.11789	2.7
224.17732	7.2
225.16060	4.3
242.18741	12.8
258.11374	4.6
275.13995	3.6
289.89185	1.4
295.21405	8.8
307.19284	1.7
309.20868	2.1
311.20874	1.7
313.22440	5.1
337.26099	5.7
355.27130	4.1
539.39362	3.6
798.51465	100.0
799.52087	11.9
834.49188	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	835.305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	65.3
61.98821	2.8
70.25871	1.8
71.01020	2.5
71.01385	26.3
83.01388	3.3
85.02952	6.8
88.98827	4.4
89.02454	20.3
93.03522	2.1
95.01385	4.2
98.22690	3.7
101.02440	15.8
106.06624	7.9
108.04575	2.9
113.02432	10.1
119.03513	5.0
121.02939	2.3
121.06574	3.1
122.06149	10.4
124.04056	4.9
134.03683	2.1
134.06126	44.0
136.04008	6.6
150.05627	2.7
152.07181	10.3
160.01651	4.6
161.02438	2.1
168.06740	3.3
175.03961	7.4
193.04948	2.6
205.22131	1.9
255.02939	2.4
277.09796	4.4
328.10886	2.7
370.11993	2.6
372.13617	3.4
384.13345	4.3
386.11221	3.3
386.15527	2.9
391.15317	3.3
398.11191	3.2
402.14285	4.0
404.16153	4.2
414.14563	6.7
426.14481	2.8
432.15674	27.9
444.15729	9.6
464.18567	2.2
538.22101	3.4
579.22473	4.1
590.20880	3.7
673.31769	4.7
715.31476	2.2
718.28979	3.5
759.28815	100.0
760.29620	12.3
791.31458	45.5
792.32147	4.7
803.15900	2.4
803.28253	19.8
825.84045	2.2
835.30426	72.1
836.30450	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	835.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
63.82949	0.2
67.00481	0.2
69.19939	1.2
69.54475	0.2
71.01391	1.7
72.99333	1.0
75.00875	22.4
87.00887	0.5
89.02450	4.2
98.22679	0.4
102.22546	0.2
106.43201	0.2
107.05038	0.3
117.01959	1.9
133.02979	1.4
134.03824	1.2
135.03011	100.0
135.04492	8.6
136.03313	0.6
149.04549	0.3
161.01178	0.2
161.02448	3.1
177.01910	0.3
179.03505	5.9
191.05653	0.6
193.05038	0.3
221.04839	0.3
297.06177	29.6
298.06552	0.6
829.02411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80134	1.2
59.01384	37.1
61.98831	1.3
69.07381	2.6
69.07793	6.7
71.01395	16.9
73.02956	1.5
81.89934	1.1
83.01395	1.9
85.02969	5.5
89.02458	11.3
95.01385	2.0
96.04404	1.1
98.22762	1.3
101.02456	9.2
106.06650	5.2
107.03772	1.3
108.05500	1.1
113.02469	4.7
119.03522	3.9
121.41231	1.1
122.06149	8.1
130.06604	1.2
132.04549	1.9
134.06134	28.3
148.04092	2.0
150.05492	1.5
152.07196	8.0
160.04012	1.7
160.06494	1.8
161.04640	1.9
168.37817	1.4
180.06648	1.6
190.05168	3.9
191.24951	1.2
203.28555	1.3
209.11842	13.1
211.08774	2.0
213.10410	5.5
225.10324	2.9
227.12959	2.2
235.08714	2.1
237.10414	2.2
239.11981	6.3
241.13474	3.8
249.10411	3.2
250.07446	2.5
251.08189	2.7
251.12025	4.0
253.09807	4.1
263.08340	4.7
264.09216	1.8
265.09848	3.8
267.11395	4.1
277.09842	7.5
278.07288	1.6
278.10663	6.2
279.07785	4.7
279.11392	7.4
285.12479	8.9
291.08060	1.7
291.11450	1.8
292.08521	3.7
293.09430	9.8
294.10101	3.4
295.10919	6.0
305.09390	1.7
307.11066	7.1
309.12460	2.1
314.12476	1.4
321.08963	2.6
328.14462	1.4
337.08188	2.0
337.11877	1.6
339.09769	3.3
342.12512	1.5
344.14114	1.2
351.09692	2.8
356.14084	1.6
358.15604	4.1
370.11728	1.3
390.52658	1.2
397.13705	3.0
400.16589	6.7
410.15009	2.1
412.16400	2.1
425.17563	1.3
440.16364	2.1
468.15878	1.5
486.16550	3.0
504.17401	1.5
593.86346	1.4
620.22437	3.4
638.23547	5.5
648.22046	5.6
649.23102	2.1
666.23181	26.4
680.25055	2.9
681.24500	1.8
698.25574	1.9
705.54822	1.4
712.27148	13.0
727.29504	8.6
759.32483	1.4
771.28961	53.7
772.29254	3.4
799.43872	1.3
803.31580	100.0
804.31848	4.8
835.33948	19.4
835.47253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	20.8
59.04395	0.6
59.40683	0.5
61.25467	0.5
61.98832	3.3
69.70621	2.1
71.01391	12.6
73.02962	1.4
74.37244	0.5
75.00868	0.7
76.10519	0.5
78.83028	0.6
80.02692	1.4
80.05061	0.5
81.03461	2.4
83.01394	1.3
83.05034	5.7
83.22360	0.6
84.02161	1.3
85.02960	3.4
87.00899	2.7
89.02455	9.7
95.01397	1.7
95.05033	1.2
96.96050	0.7
97.02955	1.4
101.02455	8.7
106.06622	0.7
110.74106	0.6
113.02470	4.7
119.03492	2.7
121.03010	1.0
122.06125	0.8
125.02438	2.9
134.06148	5.0
143.03551	1.1
145.02956	1.0
152.07169	1.3
161.04596	1.9
163.11305	4.9
165.12854	2.7
171.10284	1.1
179.05624	2.1
190.02696	0.7
191.10791	1.5
193.45627	0.6
209.11847	100.0
210.12202	1.2
227.12915	15.1
235.08247	2.0
237.10300	0.7
252.04883	0.6
252.09023	1.1
253.09525	1.0
255.03012	1.1
265.09909	1.2
267.11307	0.8
271.02448	0.9
276.08957	0.6
278.07126	1.1
278.10535	1.0
279.07843	1.6
279.11353	1.0
283.02454	1.2
284.03134	0.7
285.04068	0.9
285.12473	1.4
292.08362	0.7
293.09433	2.3
294.09930	0.8
295.10806	0.7
299.01923	0.7
305.09122	1.0
306.10172	1.1
307.10858	0.7
321.08823	1.2
337.08289	0.7
379.12463	2.4
397.13528	19.4
400.57944	0.9
415.14664	6.0
600.37482	0.6
607.26624	0.9
625.27148	0.7
666.23328	3.9
680.24786	2.0
698.25482	1.0
712.27264	7.8
713.26715	1.1
771.29095	6.1
803.31476	14.5
804.31635	1.6
817.39282	1.0
835.33289	3.4
835.48328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.1
61.98828	3.7
71.01388	15.2
80.05063	3.2
82.10983	1.9
85.02948	6.1
87.00858	2.3
89.02472	15.0
92.95893	1.9
95.01394	3.2
101.02438	10.7
106.06623	2.7
108.02291	1.9
108.12119	1.8
113.02448	5.0
119.03492	4.1
122.06120	8.5
134.06137	24.9
136.84547	1.9
145.03036	2.4
152.07179	2.8
160.01636	2.4
161.02466	4.0
175.03949	4.6
209.11868	12.1
213.10323	5.3
225.10294	3.3
237.10365	2.6
239.11858	5.3
241.13419	2.6
251.08316	3.3
251.11784	3.4
252.09026	2.4
253.09877	5.7
265.09906	5.0
267.11380	6.5
271.02451	2.4
272.37762	2.1
277.09937	5.2
278.07092	2.4
278.10461	2.6
279.07938	3.2
279.11377	7.1
284.03159	3.0
285.12485	8.3
293.09332	7.0
295.10858	5.6
305.09250	3.6
307.10858	3.5
321.08734	4.3
339.09943	3.9
351.09943	3.0
356.37079	2.1
397.13345	2.5
400.16452	6.1
412.16580	3.3
486.16910	3.2
490.93280	2.0
620.22369	3.4
638.23737	7.4
648.21948	5.8
666.23010	26.6
673.32379	7.7
698.25684	4.0
712.27338	7.1
727.29810	4.2
771.28925	40.8
772.29663	3.2
803.31525	100.0
804.31805	6.2
835.34338	29.5
835.48175	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.4
59.01385	13.0
59.71382	0.3
61.98834	1.9
62.72367	0.2
64.59291	0.3
67.01827	0.3
69.03461	0.3
71.01387	8.6
73.02943	1.4
73.90034	0.3
75.00882	0.4
78.32968	0.3
80.02692	1.1
81.03453	1.7
83.01410	1.0
83.05032	5.1
84.02174	0.9
85.02956	2.1
86.79146	0.3
87.00889	2.3
89.02456	8.0
93.03471	0.5
95.01395	0.7
95.05042	0.5
96.95975	0.5
97.02959	1.4
97.06596	0.3
101.01804	0.4
101.02454	5.7
113.02448	3.6
116.92892	0.3
117.03455	0.4
119.03532	1.6
119.05013	0.3
125.02446	2.9
125.06100	0.6
125.09720	0.3
128.90161	0.5
135.08197	0.6
139.04047	0.4
141.01949	0.3
143.03525	0.9
143.04619	0.3
145.02962	2.5
149.04547	0.4
157.54712	0.3
158.70906	0.3
161.04572	1.3
163.11299	4.5
165.05481	0.3
165.12897	2.2
171.10315	0.9
175.04059	0.3
179.05673	1.8
181.12364	0.9
191.10780	0.9
199.06088	0.3
209.11844	100.0
210.12167	2.1
221.06702	0.7
221.11946	0.3
226.17088	0.3
227.12903	15.1
228.13242	0.5
235.08247	2.1
247.13403	0.9
251.12979	0.3
253.09315	0.7
263.07809	0.4
265.14514	0.3
283.02606	1.1
287.07761	0.8
305.08813	0.8
323.09949	0.5
339.09866	0.3
379.12415	2.3
397.13541	18.6
415.14648	5.1
589.24951	0.4
607.26257	0.9
655.40833	0.6
673.32263	1.6
799.37573	0.8
817.38788	0.6
835.46271	1.3
835.66309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.4
60.01762	0.3
61.98841	2.4
62.00446	0.3
68.70605	0.3
69.03474	0.4
71.01386	9.5
71.05032	0.5
72.99324	0.4
73.02962	1.7
75.00856	0.4
80.02686	1.3
81.03477	2.1
83.01393	1.3
83.05033	5.5
84.02162	0.7
85.02965	2.3
86.19828	0.3
87.00883	1.9
89.02454	7.8
93.03474	0.4
94.83436	0.3
95.01415	0.6
95.05047	0.7
96.96002	0.7
97.02953	1.1
97.42415	0.3
98.77721	0.3
99.00898	0.6
101.02455	6.7
111.00936	0.7
113.02473	3.9
119.03522	2.2
123.08146	0.4
125.02465	2.6
125.06055	0.4
125.09746	0.4
131.03581	0.5
134.06161	0.3
135.08195	0.5
141.01860	0.3
143.03511	0.9
147.11771	0.5
149.04581	0.3
160.01660	0.5
161.02510	0.4
161.04547	1.4
163.11307	3.9
165.12878	2.8
171.10323	1.0
179.05592	2.2
181.12332	0.6
191.10783	0.7
209.11848	100.0
210.12152	2.4
221.06726	0.8
227.03534	0.4
227.12923	15.1
235.08345	2.1
247.13358	0.7
251.12857	0.4
255.03015	1.0
283.02448	1.7
285.04080	0.5
287.07755	1.1
295.10818	0.3
301.12234	0.3
305.08765	0.7
323.09750	0.5
379.12558	2.5
397.13535	17.7
398.13989	0.8
415.14600	4.4
589.25159	0.4
607.25916	1.1
666.23413	0.4
673.32355	0.6
712.27454	0.5
771.28436	0.7
777.18756	0.7
781.37067	0.4
799.35498	0.7
803.31573	1.3
817.38910	0.4
835.33179	0.5
835.46576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.0
61.98832	16.5
63.07083	1.0
71.01384	8.7
83.01343	1.0
85.02966	3.5
89.02460	4.8
96.96005	1.5
101.02428	3.1
113.02444	2.3
116.92865	1.9
179.08377	1.2
209.11873	3.4
581.37262	1.6
619.38239	8.1
619.69507	1.4
637.39594	100.0
638.39594	7.7
835.42902	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	835.486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.3
59.21794	1.2
61.98822	6.0
66.12063	1.1
71.01376	5.6
72.41516	1.2
74.24609	1.4
81.03458	1.7
83.05019	1.8
85.02937	2.4
87.00848	2.7
89.02477	3.5
91.28037	1.2
96.96014	4.1
101.02476	7.3
107.04912	1.3
110.61086	1.4
113.02479	3.5
123.08125	1.8
125.06143	2.2
125.09725	5.6
137.09700	3.0
151.11201	1.8
153.09248	3.5
156.10756	1.2
161.04567	2.3
163.11281	10.3
165.12827	8.9
166.09718	1.4
171.10301	12.8
177.12912	1.5
179.14462	1.7
181.12410	3.8
185.11848	7.2
191.14511	7.4
191.15871	1.6
193.15903	1.5
193.75208	1.4
207.10283	4.7
209.11838	9.2
223.13353	2.2
225.11304	4.1
227.12788	1.7
235.08221	3.7
245.19139	13.3
247.20663	10.5
253.09314	18.5
273.18567	3.0
289.18112	79.8
290.18475	3.8
291.19678	100.0
292.19949	3.3
298.20471	1.4
307.19159	44.3
308.19397	3.2
309.20731	77.1
310.20999	3.2
325.20248	2.5
397.13535	2.0
408.41272	1.4
409.26831	1.5
525.26965	3.3
543.27820	2.7
748.40613	2.2
817.47504	5.1
835.49292	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	836.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	14.0
61.98822	12.7
69.30933	14.4
71.01376	9.3
73.02961	4.1
83.05043	5.1
85.49514	4.0
89.02440	6.8
89.22052	3.7
96.96023	8.6
101.02455	9.6
105.58391	3.9
113.02428	4.4
127.07639	5.4
146.39088	3.1
153.09227	14.5
163.11293	4.6
171.10301	19.0
185.11830	6.5
197.11847	11.4
209.11841	67.0
210.12247	3.7
249.18587	75.7
253.09238	13.6
282.45526	3.3
289.18085	20.3
291.19498	5.4
307.19162	100.0
308.19431	6.0
309.20630	14.7
325.20169	28.0
397.13699	4.5
434.23987	3.5
525.26917	8.7
543.28070	34.7
561.29419	4.7
591.18481	4.4
706.39642	5.6
775.46161	23.4
793.48657	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	836.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
98.22643	0.8
130.69287	0.4
152.71815	0.4
163.40260	0.3
186.74117	0.3
447.41248	0.4
468.69348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.4
61.98843	4.7
63.02395	1.1
65.00334	1.5
69.70199	3.2
70.28094	0.8
71.01381	4.7
73.02985	1.5
74.30928	0.7
83.05016	1.1
85.02982	1.6
89.02457	2.7
96.96020	2.3
97.11047	0.8
98.21765	1.0
98.45258	0.8
101.02467	2.5
107.01392	1.4
109.02946	1.0
110.02476	1.0
113.02509	0.9
116.92879	1.4
117.03512	1.6
121.02937	1.1
129.10330	1.6
134.03693	1.1
151.00406	2.6
151.03973	1.1
159.04515	1.1
160.01627	1.2
161.04596	0.9
162.34070	1.0
165.01950	1.5
182.03490	1.0
183.04533	3.6
185.02412	1.2
192.04399	1.0
195.06595	1.4
209.11864	1.6
211.04034	2.9
212.08894	0.8
227.03532	34.6
228.04048	1.3
236.75630	1.0
239.03485	1.2
255.03012	77.1
256.03589	5.9
262.16620	1.1
269.04404	1.1
283.02518	56.0
284.03268	43.4
285.04059	21.1
300.10168	1.2
378.77472	0.9
381.06137	13.1
399.06952	1.6
441.08301	3.0
483.09262	1.3
500.09650	2.7
501.10422	16.8
502.10535	2.1
505.16870	2.1
543.11505	100.0
544.11835	5.9
585.13110	1.1
621.14368	1.4
657.15106	1.2
799.43945	1.2
818.91180	1.3
837.19971	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	837.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.7
61.98837	2.8
71.01392	3.6
73.02939	1.0
85.02940	1.4
89.02456	2.4
93.03432	1.1
96.96035	1.9
98.96439	0.9
101.02442	1.7
107.01421	1.9
109.02959	0.9
113.02464	0.9
116.92863	2.0
119.03503	1.0
133.03035	0.8
134.03699	1.1
135.04636	0.8
137.02502	1.6
141.69675	0.8
149.02461	0.9
151.00388	2.7
165.01909	1.5
166.02748	2.5
175.04027	0.9
177.02000	0.9
179.03479	1.3
181.05179	2.1
183.04512	1.9
191.05707	1.4
209.11873	1.8
210.12230	1.2
211.04045	1.7
227.03516	21.9
227.12947	1.5
228.03757	1.1
255.03021	50.3
256.03683	4.7
256.61823	0.8
283.02515	37.6
284.03305	33.8
285.04056	10.4
381.06241	11.7
387.10544	1.2
417.15454	2.5
441.08401	2.5
483.09006	1.5
497.83542	0.9
543.11517	100.0
544.11774	6.5
578.13019	1.7
657.14160	1.3
687.15302	2.8
716.86115	1.0
789.27826	1.8
799.49982	0.9
805.30017	3.0
836.47607	1.0
837.34393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89446	0.4
59.01377	4.2
61.98838	2.2
69.14534	2.8
71.01380	1.4
73.02967	0.4
74.29796	0.5
76.39243	0.4
84.95195	0.5
89.02437	1.0
93.03488	0.6
96.96025	1.0
101.02437	0.9
107.01392	0.8
116.92825	0.6
117.03471	1.3
122.67339	0.4
123.00890	0.4
133.02985	0.6
135.45230	0.4
145.02956	0.6
147.04578	0.5
149.02423	0.6
151.00391	1.8
159.04437	0.7
160.01675	0.5
160.04053	0.5
161.02396	0.5
164.04840	0.5
166.02690	1.2
175.04027	0.7
176.15768	0.4
179.03476	0.7
181.05019	1.0
183.04512	3.2
204.45326	0.5
209.11818	0.8
211.03998	2.1
227.03517	25.2
228.03934	0.6
243.02773	0.4
255.03003	59.2
256.03644	5.0
281.98126	0.6
283.02512	51.8
284.03256	33.5
285.04025	11.4
286.04498	0.9
297.04114	1.1
309.03952	0.5
326.04300	0.6
357.10410	0.5
381.06198	13.0
381.11121	0.8
382.06177	0.8
396.76273	0.4
399.07074	0.5
417.15857	0.7
441.08426	2.6
483.09393	1.7
543.11499	100.0
544.11768	7.8
578.12817	2.0
585.12549	1.7
789.28644	0.5
836.47784	0.7
837.20001	2.4
837.47327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	26.0
69.40090	1.7
69.40498	2.3
71.01389	11.7
80.05031	1.7
83.01400	0.8
85.02956	2.7
89.02462	7.0
94.02976	2.5
98.21964	1.5
101.02441	5.2
104.05075	0.7
106.06638	3.7
108.04546	2.4
113.02458	3.5
119.03513	2.6
120.04534	0.9
120.08195	1.5
122.06169	5.3
123.03226	1.1
124.04051	2.4
132.04587	2.3
134.03780	0.8
134.06139	19.5
136.03136	0.8
136.04037	4.4
136.73471	0.6
137.04829	1.2
138.05615	3.3
142.02052	0.7
145.59656	0.7
147.05635	2.4
150.05646	4.5
150.75090	0.7
152.07193	4.3
160.01630	0.9
160.04079	1.6
168.06702	2.8
174.05635	1.2
190.05109	2.6
192.06662	1.0
201.10344	8.1
211.08672	0.7
213.10342	5.1
214.11189	0.8
225.10175	1.3
227.11943	3.3
229.09836	9.6
229.13429	4.5
237.10341	2.1
239.11905	4.9
241.09834	1.7
243.11484	0.8
245.12987	1.2
247.10812	1.4
249.10492	1.3
255.11433	3.6
257.12973	3.5
265.09882	1.4
267.11359	1.2
273.12366	2.2
277.09796	1.5
279.11371	1.6
287.10535	1.3
289.11932	2.7
295.10825	1.1
301.12006	7.8
305.09259	1.3
319.13031	23.6
337.11960	1.5
356.14063	1.2
359.12766	1.2
360.13638	1.2
370.15604	1.0
372.13602	1.6
373.14572	0.9
374.15198	4.3
388.12567	0.9
392.16171	2.9
400.12827	1.5
404.16315	1.4
406.18024	1.7
416.16061	3.1
418.13834	1.9
428.16156	1.2
431.14557	1.1
432.15466	2.5
434.17114	3.2
446.17319	3.7
460.15714	1.1
478.16263	1.6
517.18457	1.5
607.21600	0.9
625.22699	1.1
761.30243	3.8
777.29486	1.8
787.28625	2.3
805.29425	100.0
806.29626	9.4
837.31854	26.2
838.31995	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	837.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	23.4
69.91644	4.1
71.01396	11.2
72.78188	1.9
73.02896	2.4
82.97649	1.9
83.01402	2.2
85.02964	2.5
89.02464	7.9
94.02977	2.5
95.01443	2.2
98.54101	1.7
101.02459	5.3
101.15166	1.8
106.06656	3.9
108.04525	1.9
113.02430	4.6
116.70098	2.4
119.03497	2.1
122.06110	2.9
124.04045	3.4
132.04594	2.3
134.06111	12.3
136.04045	4.0
138.05621	3.3
150.05652	2.7
152.07158	3.0
201.10367	4.1
202.65300	2.0
213.10362	2.7
229.09851	7.4
229.13403	3.8
239.12000	3.0
255.11424	2.8
301.12003	4.5
319.12982	14.5
337.11829	2.3
374.15042	3.4
392.16229	3.1
416.16312	3.8
424.31912	2.1
432.15646	2.8
434.17203	3.1
446.17432	3.9
761.31281	3.2
777.30042	2.3
805.29437	100.0
806.29889	10.1
837.32123	31.5
838.31891	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	837.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	31.6
61.98837	41.2
71.01393	14.7
73.03004	4.5
80.91690	10.7
81.03487	7.4
82.95438	11.3
83.01370	4.2
83.05038	18.9
85.02950	6.4
87.00885	5.0
89.02464	7.2
95.05040	11.2
96.96015	13.6
97.06608	13.3
101.02460	12.6
106.38657	4.3
107.05053	10.7
109.06596	9.8
113.02482	7.0
121.03027	4.8
123.04568	6.9
123.08231	5.1
125.02480	5.1
125.06106	7.5
125.09756	14.3
135.08153	17.2
143.07147	5.4
143.37642	4.0
145.06601	4.7
151.07677	5.8
153.09230	12.7
157.08594	5.5
163.11334	9.2
171.10323	6.4
174.31067	3.9
177.05600	23.4
179.07141	6.5
181.08777	22.5
185.11861	12.7
191.07420	4.4
197.11858	17.4
207.10281	13.1
209.11847	100.0
225.11392	6.6
251.12917	5.2
253.09294	11.6
259.13495	12.0
261.18750	5.3
261.45416	5.1
277.14465	19.2
277.17697	4.8
279.19858	4.3
287.16565	8.3
303.16101	5.9
305.17609	47.0
307.19186	7.2
323.18652	7.2
331.18890	4.3
438.23843	4.9
487.21851	4.3
541.26337	27.7
569.26038	7.2
677.31567	5.6
693.35400	11.2
695.32886	9.2
709.34766	10.2
721.34088	5.8
739.35712	13.2
750.35406	6.5
801.40814	18.7
819.41901	25.9
837.42743	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	837.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.2
61.98827	3.6
68.99251	1.2
69.42006	4.6
71.01383	7.4
73.02937	1.5
80.02663	2.0
80.15133	1.1
81.03468	1.4
83.05029	2.0
85.00430	1.8
85.02968	1.7
87.00871	1.9
89.02445	3.9
93.40556	1.1
95.05017	1.7
97.02961	1.6
98.22650	1.7
99.04485	1.4
101.02445	5.5
103.01554	1.4
122.40019	1.0
122.62659	1.1
123.08150	1.2
125.09702	3.3
127.07646	2.2
153.09224	7.3
161.04518	1.7
163.11307	4.7
165.12842	7.6
171.10277	13.0
176.84914	1.2
179.14435	2.2
181.12407	2.2
183.13980	1.2
185.11922	2.4
191.14474	1.4
193.15945	1.9
195.13989	1.8
197.11929	5.2
203.54044	1.5
209.11862	20.0
211.13470	1.6
223.13409	3.2
235.08192	2.5
247.20660	7.4
253.09302	17.5
262.58557	1.1
273.18503	1.6
275.20206	3.9
289.08405	1.3
289.18192	5.1
291.19681	85.8
292.20023	3.8
293.21207	27.6
294.21237	1.4
307.19147	28.8
308.19537	2.0
309.20734	100.0
310.21078	4.5
325.20160	11.1
404.16550	1.0
466.60858	1.4
506.55200	1.1
525.27423	1.6
543.28174	11.8
561.29437	2.3
819.49286	8.4
837.50476	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	837.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.5
61.98837	2.6
71.01409	3.4
75.88831	0.7
83.05045	0.9
85.02941	1.1
87.00876	0.8
88.14028	0.7
89.02464	2.3
96.96033	1.4
97.02938	0.9
97.06623	1.2
101.02460	2.2
109.06513	0.8
113.02485	2.0
141.01749	3.5
141.09227	1.4
161.04588	1.6
163.11288	1.9
165.12837	4.6
170.53642	0.8
171.10266	1.5
179.14441	1.2
181.12347	1.9
183.13733	0.8
193.15883	1.1
197.11891	3.2
209.11920	2.4
211.13446	1.9
221.15546	0.8
223.13326	1.0
225.15067	0.8
234.00060	0.7
235.08255	2.2
241.14470	1.0
247.20691	4.7
253.09306	9.6
259.18979	0.7
273.18616	2.0
291.19684	59.3
292.20023	3.5
293.21393	0.9
295.60684	0.9
309.20734	100.0
310.21146	4.6
375.32938	0.8
382.59192	0.8
527.28369	1.8
545.29755	2.9
837.27820	0.9
837.49420	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	837.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
60.80860	1.1
61.98833	3.9
70.09426	2.9
71.01381	4.8
73.02944	1.2
75.34479	1.1
80.78506	0.9
89.02446	3.2
96.96031	1.9
98.22598	1.3
99.14030	1.1
101.02447	3.2
108.90244	1.0
111.08143	3.2
113.02460	2.5
122.96099	1.0
125.09738	1.4
153.12889	1.3
165.12822	3.3
171.10254	1.7
179.14380	2.2
181.12381	2.5
197.11835	8.7
199.13394	1.1
207.13841	1.2
209.11833	4.5
211.13483	1.7
223.13420	1.4
232.98166	1.0
235.08234	2.5
235.16927	1.0
247.20821	3.4
253.09280	12.0
273.18600	3.1
280.80466	1.1
289.18106	1.7
291.19690	51.3
292.19971	2.0
293.21155	4.2
294.21570	1.2
307.19232	2.6
309.20737	100.0
310.21033	5.4
331.78259	1.2
440.95828	1.0
452.58490	1.2
512.71582	1.1
527.28278	3.0
545.29999	6.5
626.51154	1.4
817.11847	1.3
819.48920	2.1
837.50458	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	838.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48469	4.0
61.98836	100.0
69.52073	4.3
74.86346	5.2
75.54228	4.8
91.93131	4.5
92.05827	5.3
96.96035	9.0
165.74464	4.5
178.00856	4.3
199.94481	4.2
209.11920	31.8
221.61868	4.5
305.17426	8.4
381.76999	5.4
733.38220	6.6
751.40198	6.1
752.39514	19.5
770.41364	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	838.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
59.15359	0.2
61.98835	100.0
65.46742	0.2
69.17552	1.3
72.55089	0.2
73.07951	0.2
75.91592	0.2
90.73282	0.2
96.96022	0.5
99.92610	0.2
100.10345	0.3
100.67309	0.2
116.92886	0.8
165.05551	0.2
176.67220	0.2
209.11824	0.3
218.65334	0.3
446.20148	0.3
453.84338	0.2
757.09265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.5
63.02394	0.5
65.00347	0.7
65.61873	0.3
69.63983	0.8
69.64370	1.3
85.02943	0.7
89.02480	0.5
91.58070	0.4
93.03398	0.4
107.01378	0.5
117.03461	0.9
121.02957	0.7
151.00351	1.4
159.04530	0.7
159.83826	0.4
160.01663	0.5
167.05302	0.4
171.04565	0.7
175.04031	0.4
183.04584	1.9
185.06149	0.4
187.04066	0.4
193.05063	0.8
195.06752	0.4
211.04008	1.8
227.03534	17.0
228.03827	0.6
255.03000	38.9
256.03671	4.8
268.03778	0.5
269.04507	2.2
283.02499	33.2
284.03278	30.2
285.04062	36.0
286.04361	1.5
297.04007	0.6
411.07224	1.1
438.77667	0.4
438.84109	0.4
471.09311	5.5
489.10626	3.4
531.11481	100.0
532.11890	6.3
592.14539	1.8
593.14825	0.5
642.15833	0.4
790.78302	0.4
807.31061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	0.9
63.02417	0.7
65.00337	0.7
69.15639	2.5
70.25092	0.4
82.95760	0.4
83.01367	0.5
84.24688	0.4
89.02419	0.5
93.03462	0.9
98.21861	0.7
98.72584	0.4
101.02448	0.8
107.01398	0.9
111.00906	0.5
117.03473	1.3
134.03740	0.5
135.00764	0.4
145.02969	0.5
147.00858	0.8
151.00356	1.8
159.04497	0.7
160.01724	0.6
160.04021	0.6
169.06612	0.4
171.04617	0.4
175.04053	0.6
183.04521	2.5
199.03992	0.7
211.04082	1.5
213.05597	1.0
227.03513	23.7
228.03915	0.5
242.95958	0.5
253.04991	0.5
255.03000	50.1
256.03641	3.6
269.04544	2.5
283.02496	35.7
284.03278	29.8
285.04056	40.0
286.04462	1.2
295.08340	0.7
411.07376	0.8
429.08276	0.6
471.09280	6.2
489.10550	3.7
531.11475	100.0
532.11676	3.9
546.23621	0.5
592.14496	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	839.336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33828	1.6
59.01380	72.9
59.99089	1.6
61.98830	3.9
71.01385	37.9
71.45262	2.0
72.99284	2.6
73.02943	4.6
77.72245	1.7
80.05048	3.2
82.02972	2.4
83.01392	3.5
85.02953	11.9
87.00919	2.3
89.02447	28.9
94.02988	41.9
95.01392	2.6
96.04559	1.8
97.81316	1.9
99.04513	2.2
101.02459	21.5
106.06643	6.1
107.04981	1.7
108.04556	2.5
109.57461	1.6
111.00898	3.1
113.02443	13.8
118.53902	1.5
119.03506	9.3
119.05022	1.9
120.08203	16.2
121.02957	2.5
122.06134	8.7
127.00243	1.8
132.04536	2.9
134.03839	2.0
134.06126	54.4
136.03987	2.2
138.05606	10.6
148.04042	2.4
150.05666	2.6
152.07170	10.9
160.01636	3.1
160.04051	3.7
161.04640	3.1
162.05571	2.2
175.04037	4.4
190.05118	3.4
191.05582	7.8
191.07106	2.0
193.05089	5.0
211.12334	2.5
215.11864	2.3
215.37390	1.6
223.08788	7.2
224.09569	4.3
225.10387	3.5
227.03503	1.8
235.06030	1.9
236.09479	2.7
237.10316	13.0
238.11057	2.5
239.11911	18.8
249.10384	3.7
251.08401	2.7
251.11897	14.4
252.12408	2.1
255.02974	4.5
263.08423	4.1
263.11615	1.7
264.09146	14.7
265.09805	7.5
276.08972	2.8
277.09772	7.7
278.10590	3.5
279.11420	35.0
280.12088	2.9
281.12711	2.5
283.02344	8.1
283.11072	2.8
284.03049	4.0
285.04037	8.5
291.11423	10.8
292.12170	4.5
293.09485	1.7
293.13141	2.6
295.10971	1.7
305.09213	3.9
307.10934	4.3
311.14175	1.9
314.12540	4.3
319.13062	4.8
323.10410	3.4
327.13095	2.3
369.14658	1.9
370.15485	3.6
371.16724	2.8
372.16946	3.1
376.16714	3.7
384.17212	11.6
385.17963	4.7
386.18738	6.8
426.18185	3.4
427.18552	1.7
430.17545	5.1
462.20792	2.2
490.19797	4.8
564.23676	6.5
606.24713	7.1
610.24280	7.3
650.23407	13.5
651.24768	4.2
682.25665	13.5
683.26996	2.3
703.30048	3.4
747.29370	12.4
779.31445	57.2
780.31567	7.2
789.30029	9.6
807.30719	35.3
808.30414	2.8
821.32434	33.1
822.32642	3.5
839.33551	100.0
840.34320	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	839.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	56.2
61.98841	4.3
69.22449	26.4
71.01388	33.5
77.03064	5.2
85.02967	10.9
89.02441	26.8
94.02988	18.4
101.02436	17.1
104.44058	3.7
106.06611	7.2
111.00903	4.9
113.02427	10.7
115.89514	3.8
120.08221	20.3
133.82092	3.7
134.06149	31.8
137.12941	4.1
138.05620	5.5
140.34300	4.3
152.07166	9.7
160.01683	4.7
160.04115	4.4
165.43423	3.8
190.05098	7.1
223.08794	5.4
225.10326	3.7
227.03435	20.4
239.11842	9.2
255.03030	49.2
256.03448	4.5
263.08292	7.2
264.09055	8.3
265.09851	7.1
276.09055	4.9
277.09906	5.6
279.11469	36.6
280.12057	4.7
283.02505	32.2
284.03296	37.4
285.03937	20.6
291.11301	9.2
292.12177	6.1
427.04620	3.8
489.10269	15.0
490.19916	4.9
500.33908	4.2
531.11505	74.0
532.11597	10.1
650.23846	10.5
651.23566	6.9
677.33783	8.0
682.26184	12.7
747.28796	19.1
779.31519	31.3
780.32727	5.9
789.30249	17.3
807.31024	100.0
808.31348	13.6
821.32397	17.0
839.34088	46.9
840.33716	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	839.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	27.6
61.39684	3.0
61.98823	16.6
62.42311	2.9
69.03441	3.9
71.01391	93.3
73.02945	5.2
80.02692	4.9
81.03491	4.2
83.05016	9.5
83.45014	3.6
83.92236	2.9
84.02171	4.7
85.02944	8.1
87.00861	4.9
89.02502	9.1
95.05022	6.2
96.96017	12.9
97.02984	9.6
97.06599	16.9
98.21860	6.8
99.00890	14.1
99.76251	2.9
101.02444	10.4
107.05066	5.9
109.06602	27.9
111.00884	9.6
111.08174	5.6
113.02456	6.8
113.06107	3.3
119.03474	3.7
121.02991	6.0
123.04551	5.0
125.06100	33.9
125.09710	14.6
135.08096	3.2
139.07661	15.5
141.09196	9.1
151.07664	5.1
153.09320	5.3
161.04553	4.8
163.11275	23.0
169.08734	38.6
171.10284	24.2
177.05608	9.3
178.10083	3.8
181.12341	12.0
183.60268	3.8
185.11800	11.5
187.09724	5.5
197.11801	17.3
199.09769	14.7
201.11310	18.3
205.08681	4.0
207.10263	72.9
209.11847	100.0
213.11324	8.3
223.09793	8.0
225.11368	54.2
227.12921	15.4
243.12309	5.8
253.09291	24.6
261.18552	4.7
277.18015	5.6
279.15982	3.6
287.16528	6.7
303.16000	12.5
305.17603	40.1
307.19092	10.5
321.16989	7.2
323.18616	3.6
341.23236	5.8
459.59036	3.4
461.20309	15.1
514.69128	3.4
698.31537	8.2
839.39380	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	839.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.6
61.98830	18.7
69.03252	26.2
71.01415	6.9
87.23385	4.6
91.59369	5.1
94.79597	4.8
96.96008	21.9
98.21891	11.5
101.39050	4.1
107.64149	4.6
116.92914	4.8
133.93198	4.9
169.32919	5.6
171.10326	10.0
173.70547	5.0
178.09596	5.2
199.09669	7.4
209.11842	100.0
215.14180	5.1
215.73781	4.4
222.79570	4.9
227.12888	17.7
235.08208	5.6
253.09293	15.1
288.42264	5.3
289.18051	10.0
307.19177	47.3
325.20258	19.3
445.20749	6.1
450.12299	5.8
543.28296	18.3
561.29407	6.4
666.12622	5.5
735.40289	22.7
753.40924	29.4
771.41431	13.4
839.42035	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.1
61.98835	22.0
70.97163	3.1
71.01385	14.5
73.02941	4.8
81.03460	8.5
83.05027	34.9
84.02131	4.8
85.02956	9.2
87.00860	4.8
89.02459	8.8
93.34890	2.9
95.05016	9.9
96.96008	10.4
97.02908	3.4
97.06580	12.8
101.02444	7.4
107.05019	6.7
109.06589	8.6
111.08164	2.9
111.16152	2.8
113.02447	9.1
113.06119	3.6
119.03503	2.7
121.02955	3.7
123.04530	5.7
123.08209	5.1
125.02441	3.8
125.06057	4.3
125.09718	11.2
127.07652	8.1
135.04457	3.8
135.08148	24.8
137.09715	4.2
139.07668	5.8
141.09215	3.9
143.07172	3.9
151.07672	3.8
153.09212	27.7
157.08740	3.6
161.04520	3.0
163.07645	9.8
163.11336	6.3
165.12973	3.8
169.08722	9.1
171.10289	46.4
173.24486	3.0
178.09973	4.6
179.07109	3.8
179.10680	4.7
181.08720	39.4
185.11833	13.6
186.46996	2.6
191.10762	5.4
197.08084	3.1
197.11891	20.7
207.13652	2.8
209.11847	84.9
210.12004	3.4
215.14413	8.7
233.15450	10.8
235.08186	10.5
236.10612	3.4
245.19020	4.2
253.09346	22.1
256.13055	3.9
259.13446	18.8
277.11703	5.3
277.14478	58.2
277.17029	2.3
279.15961	9.5
289.18008	17.3
295.15527	8.6
305.17581	8.2
307.19159	100.0
309.20374	3.6
325.20230	42.6
407.19250	4.4
474.21191	6.8
481.29623	2.8
513.23352	7.3
541.26453	6.6
543.28192	40.8
561.29480	6.4
707.36536	4.0
734.35443	5.6
741.36938	4.3
752.36322	6.9
803.42230	18.9
821.43585	31.6
839.44391	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	839.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.3
60.24095	1.6
60.52328	1.8
61.15532	1.4
61.86989	1.5
61.98848	9.7
67.80864	1.5
69.03449	2.6
69.42438	1.6
71.01379	11.6
71.05036	1.7
73.02922	2.1
73.39867	1.5
80.02692	1.8
81.03455	4.2
82.95426	13.3
83.01385	2.6
83.05038	9.7
85.02940	4.0
87.00895	3.9
89.02444	6.6
95.05018	4.5
96.96026	2.3
97.02983	2.9
97.06603	9.3
101.02456	6.1
107.05038	5.4
109.06613	5.2
113.02456	5.7
113.06095	1.9
121.03024	2.6
123.04474	2.7
123.08166	2.2
125.02470	3.9
125.06082	6.4
125.09740	11.1
127.07671	2.9
135.08188	8.5
137.06090	2.3
137.09743	2.6
139.07632	3.5
143.07159	22.0
151.07562	2.1
153.09218	18.6
157.08711	4.0
161.04588	2.2
163.07654	2.7
163.11334	9.0
165.09238	2.3
165.12816	3.8
169.08742	3.8
171.10303	2.9
176.08441	2.9
176.39824	1.7
178.10007	5.3
181.08719	17.8
181.12407	3.8
185.11823	10.0
187.09726	2.2
191.10802	4.3
197.11832	18.9
207.10239	9.7
209.11847	100.0
217.12352	2.6
217.15900	5.8
225.11305	7.0
227.12933	2.5
235.08258	7.5
235.17018	2.5
236.10614	2.4
239.06996	1.7
243.17502	2.2
253.09247	13.8
261.15021	8.1
261.18411	4.0
269.15576	2.4
277.14474	2.9
277.18204	3.8
279.16064	36.1
279.19263	2.5
287.16577	12.0
297.17114	15.7
305.17612	63.0
305.21097	3.3
306.17896	2.1
307.19092	7.8
323.18594	15.2
515.25037	2.3
523.25458	3.3
541.26587	38.7
543.28308	3.5
559.27710	6.4
566.10138	2.1
667.33594	2.8
693.35388	2.2
697.67462	1.9
707.36249	3.3
723.35742	2.6
734.35297	3.9
741.37201	6.0
752.36279	4.0
770.37946	2.1
803.42493	12.8
821.43341	19.2
839.44928	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	840.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
61.98836	100.0
69.18389	0.9
71.85046	0.1
78.48505	0.2
92.96812	0.1
112.91953	0.2
183.04504	0.2
198.08266	0.1
211.04095	0.2
227.03612	0.3
255.02986	3.7
256.03516	0.2
267.67157	0.2
283.02481	7.4
284.03000	0.4
285.04037	0.4
446.08548	1.6
615.13940	0.5
735.18750	0.1
777.18860	3.6
777.33008	0.2
778.18933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98835	100.0
65.55036	0.1
66.42917	0.1
67.27805	0.1
69.22467	0.6
71.01397	0.4
88.92004	0.1
89.02449	0.2
101.02453	0.1
112.04253	0.1
116.92870	0.2
117.03490	0.2
142.60464	0.1
150.03261	0.5
150.99300	0.1
151.00449	0.3
151.03915	0.2
160.01709	0.2
165.01999	0.6
165.05609	0.5
175.04079	0.2
179.03534	0.2
180.04312	0.3
181.05061	0.2
183.04556	0.5
195.06714	0.6
196.07004	0.2
209.11877	0.2
211.04039	0.1
225.07762	0.2
227.03587	0.5
255.03012	4.9
256.03311	0.7
268.21765	0.1
283.02502	9.6
284.02957	1.7
285.03992	1.2
286.04462	0.2
326.92209	0.1
446.08560	1.4
501.10565	0.5
502.10721	0.7
596.21167	0.2
615.13519	0.6
623.13544	0.3
777.18890	4.5
778.19513	0.5
839.43817	0.2
840.21326	0.4
840.46063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.51491	0.2
76.87456	0.3
96.53579	0.2
104.77953	0.3
109.98138	0.2
118.43774	0.3
119.20712	0.3
141.87753	0.2
285.61655	0.3
295.83109	0.3
670.80914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
61.25060	1.2
61.98832	9.9
63.02416	1.7
68.24187	1.3
69.36781	7.1
69.67793	1.4
71.01387	7.4
71.98790	1.5
72.01721	1.3
73.02962	2.4
77.09225	1.3
82.95444	2.1
83.01395	2.3
85.02953	3.7
87.00897	2.0
89.02465	5.0
93.03497	1.8
96.96025	2.6
98.22752	2.3
101.02480	1.9
107.01341	2.4
111.00879	2.1
113.02473	3.7
116.92860	2.8
117.03450	2.5
120.87002	1.4
121.02972	12.3
134.03746	1.5
151.00403	5.4
160.01680	2.8
160.03989	2.6
161.04581	1.4
165.01817	1.9
183.04523	4.8
193.05066	2.4
211.03999	4.9
227.03514	6.8
242.21126	1.4
255.03014	62.2
255.05679	3.4
283.02502	100.0
284.03122	11.9
285.04092	29.5
327.05139	2.0
346.37802	1.7
423.79111	1.6
489.10272	13.4
514.10352	1.8
515.12018	28.1
531.11578	2.3
579.83411	1.8
636.15094	7.5
661.28473	2.1
719.18396	10.7
841.21881	26.9
841.35559	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	841.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
61.25060	1.2
61.98832	9.9
63.02416	1.7
68.24187	1.3
69.36781	7.1
69.67793	1.4
71.01387	7.4
71.98790	1.5
72.01721	1.3
73.02962	2.4
77.09225	1.3
82.95444	2.1
83.01395	2.3
85.02953	3.7
87.00897	2.0
89.02465	5.0
93.03497	1.8
96.96025	2.6
98.22752	2.3
101.02480	1.9
107.01341	2.4
111.00879	2.1
113.02473	3.7
116.92860	2.8
117.03450	2.5
120.87002	1.4
121.02972	12.3
134.03746	1.5
151.00403	5.4
160.01680	2.8
160.03989	2.6
161.04581	1.4
165.01817	1.9
183.04523	4.8
193.05066	2.4
211.03999	4.9
227.03514	6.8
242.21126	1.4
255.03014	62.2
255.05679	3.4
283.02502	100.0
284.03122	11.9
285.04092	29.5
327.05139	2.0
346.37802	1.7
423.79111	1.6
489.10272	13.4
514.10352	1.8
515.12018	28.1
531.11578	2.3
579.83411	1.8
636.15094	7.5
661.28473	2.1
719.18396	10.7
841.21881	26.9
841.35559	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	841.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	0.6
64.18002	0.2
68.42811	0.2
69.03436	0.3
71.01387	9.6
71.05003	0.2
72.99321	0.5
73.02949	4.8
83.01390	2.2
85.02954	5.2
87.00896	0.6
89.02451	3.5
89.02954	0.3
95.01409	0.8
97.02978	0.4
99.00876	1.4
100.23589	0.2
101.02448	10.8
111.00905	0.6
113.02454	4.6
119.03506	0.5
123.08179	0.5
125.02435	0.4
129.02037	0.2
131.03540	0.7
134.03778	0.2
135.04527	0.3
137.09756	0.2
141.09215	0.4
143.03558	0.6
149.02538	0.2
149.04587	0.9
159.03056	0.8
160.04079	0.2
161.04573	3.8
161.05858	0.3
161.40034	0.2
163.11328	0.6
175.04025	0.3
178.05138	0.5
179.05646	0.4
188.04915	0.2
189.12846	0.9
191.05692	0.6
197.06053	1.3
198.06511	0.5
207.14015	0.7
231.06827	0.2
235.11880	17.9
236.12306	0.7
255.12602	1.0
256.13043	0.4
270.15125	0.5
271.15698	0.3
277.12936	11.6
278.13348	0.5
286.19971	0.2
293.08939	0.4
314.14005	1.1
315.14496	0.8
319.14285	0.3
321.11963	0.4
321.15561	3.9
322.15903	0.2
341.10883	0.6
387.20224	0.3
519.24518	5.5
520.25244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.4
61.98837	3.3
69.03473	2.4
69.31790	6.3
71.01387	18.6
71.05035	2.8
72.99329	1.6
73.02957	4.8
80.02692	2.1
81.03460	3.1
82.95438	1.5
83.01393	1.9
83.05026	15.2
84.02193	2.7
85.02943	5.7
87.00881	2.6
89.02456	9.4
95.01392	1.5
95.05035	5.3
96.96043	1.3
97.02945	4.0
97.06608	9.2
99.03921	1.4
99.04527	3.8
99.08156	2.6
101.02448	9.5
106.04269	1.2
107.05059	1.6
109.06600	4.5
111.00937	1.4
111.04502	1.5
111.08166	1.7
112.05330	3.1
113.02467	5.3
113.06124	1.5
113.09741	2.8
115.07672	4.5
119.03516	3.3
121.02975	1.4
123.04526	1.4
123.08184	2.7
124.05348	1.6
125.06102	5.2
125.09732	9.3
127.07642	7.7
127.11366	1.3
135.04509	1.2
135.08148	10.0
137.09764	3.9
138.06853	1.2
139.07663	4.6
141.09241	4.5
142.30618	1.0
143.07147	23.4
143.08194	2.0
145.05090	1.6
149.09720	1.9
152.08401	1.4
153.09216	38.4
154.09558	1.4
155.10808	4.5
157.08678	5.6
161.04546	4.3
163.07675	3.7
163.11337	10.0
164.08536	1.3
165.09251	1.4
165.12897	3.5
167.10741	1.4
167.65921	1.1
169.08701	4.8
171.10281	42.9
178.10007	5.0
179.10808	1.4
181.08719	17.2
181.12372	4.5
185.11864	12.3
191.10764	5.5
191.14456	4.0
197.11880	14.9
199.09552	1.2
207.13919	1.2
207.56943	1.2
209.11839	76.5
210.08978	3.4
210.12163	2.4
211.13380	1.6
217.15921	6.8
219.13866	2.0
223.13303	2.2
225.11250	1.7
235.08278	7.6
235.13577	1.4
235.17039	5.5
236.10498	1.2
238.12099	2.6
239.16434	1.5
243.14093	1.3
245.19125	4.1
253.09274	21.3
254.09908	1.4
261.14896	10.6
265.17911	1.3
277.14362	1.5
279.16052	53.5
279.19141	1.8
280.16489	1.8
289.18164	22.2
291.19550	1.5
297.17130	26.0
297.20578	3.3
305.17798	1.9
307.19171	100.0
308.19614	5.7
309.20721	1.7
319.19418	1.8
325.20218	41.7
326.20544	1.9
327.21924	1.8
377.01859	1.2
407.19174	3.9
474.21115	3.0
497.24112	2.1
515.24976	4.4
525.26666	2.1
533.25946	1.4
541.26355	2.2
543.19885	2.4
543.28149	39.8
544.28668	3.3
561.29150	10.1
669.34753	5.8
681.34241	3.1
699.35992	4.6
707.37238	1.6
725.37970	2.6
736.37115	3.3
754.37878	5.3
787.41949	1.4
805.43762	10.9
823.44879	16.0
824.45178	2.3
841.45959	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	841.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	34.8
59.02733	4.5
61.68898	5.2
61.98849	26.9
71.01381	10.3
72.06618	4.6
73.74443	5.1
74.46307	4.8
80.91660	7.0
82.95441	5.1
83.05056	8.5
84.95135	5.8
85.00446	50.5
89.02460	7.4
95.05009	5.1
96.96020	7.6
97.02934	7.0
97.06604	15.6
98.21819	11.6
98.85036	4.1
99.00919	7.6
101.02452	13.4
103.01517	13.5
106.75239	4.3
109.53591	4.6
113.02464	5.6
116.92888	12.3
125.06096	21.7
125.09751	6.2
137.09799	6.6
139.07655	11.7
141.09196	8.9
143.07182	25.1
153.09222	8.9
155.10776	5.4
165.09151	5.1
169.08736	36.5
171.10301	52.0
173.08261	10.2
181.08759	11.8
196.54207	5.1
201.11337	34.2
207.10272	5.7
209.11841	16.7
225.11511	6.4
227.12822	5.2
235.08092	5.2
253.09325	56.8
261.14990	6.1
263.16644	10.9
277.14554	9.0
279.16089	13.0
281.17651	26.0
289.18008	8.6
291.19705	67.3
297.17068	8.3
305.17630	6.3
307.19162	12.9
309.20728	100.0
310.21100	6.6
313.20215	7.8
341.23312	17.1
464.45148	4.7
523.74768	4.6
543.28198	5.1
713.52466	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	841.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
63.71986	38.4
70.09132	99.7
71.83154	42.8
96.93598	44.6
104.57516	35.5
106.02178	39.5
139.17941	39.8
157.28854	39.7
171.40181	36.8
309.20636	71.2
340.96265	41.7
686.53558	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	31.0
59.49588	7.0
60.99321	11.8
61.94889	6.2
61.98829	37.7
63.28224	6.0
69.05179	39.1
83.54466	6.6
87.87295	7.5
88.98815	100.0
89.02473	8.9
97.06606	7.5
98.14853	6.8
98.21867	13.1
103.00894	6.9
103.01509	19.7
103.28918	8.1
112.43652	7.6
116.92857	32.8
171.10272	19.6
246.07605	8.9
253.09343	23.5
261.14960	15.3
261.31949	6.8
263.16568	14.3
279.15915	21.8
281.17523	22.2
289.18082	26.9
291.16394	10.1
291.19556	72.0
307.19113	16.0
309.20688	45.0
445.95447	7.2
807.44336	9.8
807.60333	8.7
843.43506	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	86.2
61.98829	32.4
64.41431	14.6
67.34681	15.3
87.62968	16.0
103.01482	24.9
116.92877	100.0
197.11821	30.3
209.11832	66.3
253.09303	22.5
265.18094	45.3
279.15915	21.8
288.45584	17.5
291.19632	37.7
305.17590	65.1
309.20682	53.6
315.47742	17.6
323.18304	20.3
435.93430	15.6
515.26703	15.5
541.26544	35.2
624.25366	16.1
789.44629	91.7
807.45789	30.2
843.42517	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	844.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.8
61.98830	0.7
69.03466	1.6
69.45582	1.2
71.01388	8.7
72.99317	1.1
73.02947	1.4
75.00869	0.7
77.03979	0.2
81.03466	0.7
83.01386	1.6
85.02963	4.0
87.00880	5.2
87.04549	0.5
89.02450	6.5
95.01405	0.8
97.02962	2.8
99.00887	1.1
99.04538	0.3
101.02456	5.1
106.04253	4.0
108.02179	0.4
109.02945	0.6
111.00888	0.4
113.02464	4.5
115.03992	0.5
116.92860	0.8
119.03500	2.3
121.02969	100.0
122.03306	1.7
123.00884	0.5
124.01700	1.0
125.02464	12.9
129.01976	0.4
131.03613	0.3
135.04550	2.2
139.04007	0.6
141.01952	0.3
143.03517	7.5
146.47575	0.3
150.09258	40.6
151.09607	0.8
159.02985	0.2
161.02434	0.5
161.04568	2.8
163.04022	1.2
167.03462	0.7
167.76564	0.3
179.05624	2.0
185.04558	0.4
193.05125	0.5
198.05246	0.2
205.05052	0.8
223.06151	0.3
235.08223	0.6
244.01726	0.3
245.06665	0.6
247.06117	0.7
251.05557	0.3
263.07672	1.0
265.07120	0.6
269.06787	0.3
283.08310	0.5
287.07715	1.2
294.13452	2.8
304.38550	0.3
305.08804	1.2
402.15521	0.6
409.11270	0.8
409.69830	0.3
416.17215	5.9
417.17453	0.5
449.13055	1.0
456.18790	0.6
486.17734	0.3
524.19128	1.0
560.20996	0.6
571.16516	0.9
600.23242	2.0
722.26617	0.8
866.11761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.4
61.98835	100.0
75.00877	3.3
94.94134	2.0
97.16290	2.1
116.92834	5.5
127.53162	3.0
148.65254	2.2
166.37617	2.4
169.27274	2.3
255.52034	2.8
330.31705	2.4
365.52240	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	845.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01704	0.7
69.11426	0.5
69.23940	1.6
69.24344	0.8
71.01385	55.4
72.01736	0.5
72.99313	1.7
73.02965	0.9
79.17976	0.4
81.03475	2.8
83.01395	2.1
85.02959	10.0
87.00884	4.0
89.02448	73.6
95.01397	3.6
99.04527	7.6
101.02452	26.4
102.02778	0.5
108.02182	1.5
113.02459	23.2
117.03487	0.9
119.03513	30.4
121.02935	1.3
123.04556	1.3
125.02453	2.1
131.03510	5.2
133.02939	0.6
134.03748	0.9
135.04523	0.9
136.26778	0.4
143.03535	8.9
145.02975	3.5
146.03702	1.4
147.04494	1.8
148.05278	1.1
149.02454	9.7
149.04506	3.6
150.03229	2.2
161.02472	3.2
161.04575	11.8
161.05939	0.6
162.03241	34.0
163.03801	0.4
164.04787	1.8
165.05556	2.3
166.06310	1.3
174.03235	0.6
175.04010	0.9
177.05585	30.3
178.05884	0.6
179.05621	48.0
180.04399	1.0
180.05914	1.0
181.08698	1.4
189.05603	0.9
195.06610	2.9
220.65802	0.4
235.08496	0.5
248.10393	1.2
263.12894	2.7
314.11496	0.8
326.58612	0.5
329.13763	1.9
357.11813	3.4
359.14929	2.9
396.15640	2.3
411.18100	9.9
441.19122	8.4
442.19186	0.6
521.19849	1.9
539.20551	1.4
621.25494	13.3
622.25317	1.2
665.24701	0.6
683.25781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	95.7
61.98817	2.4
62.71594	1.1
69.03458	1.2
69.28928	2.2
69.29332	5.7
70.09172	1.3
71.01387	87.0
72.58775	1.4
73.02573	1.4
73.02956	21.4
75.00880	1.8
77.00655	1.3
78.63844	1.1
83.01391	9.2
85.02464	2.1
85.02959	30.1
86.00079	3.0
87.00877	22.6
89.02454	66.5
95.01385	6.0
97.02919	2.2
99.00877	5.4
99.04522	9.0
101.02453	83.4
111.00880	2.6
113.02462	45.0
119.03507	27.9
119.04899	1.6
125.02410	4.8
129.01956	2.7
131.03522	25.7
134.03740	1.7
143.03514	7.6
145.03003	6.8
146.03758	1.4
149.02400	2.2
149.04533	1.8
149.06039	1.6
158.70551	1.4
159.02995	5.6
160.33458	1.2
161.02402	4.0
161.04579	46.6
162.03238	23.4
163.03952	3.4
166.06361	1.5
177.05580	11.6
179.05620	71.3
186.90057	1.2
188.48012	1.2
193.05095	1.7
195.06625	2.7
221.06685	72.8
237.19008	1.4
247.15044	1.2
263.07727	53.5
284.03329	1.3
323.09799	3.9
341.10590	1.9
344.71939	1.3
504.25055	1.6
519.17053	2.8
701.26794	8.3
743.27881	8.8
783.31873	2.1
845.30841	100.0
846.30676	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	845.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	25.4
61.98836	18.6
69.42238	8.1
92.51136	9.4
98.22652	16.3
116.92908	8.4
132.64882	8.5
169.08739	23.2
171.10271	61.7
173.84239	8.8
179.45616	9.1
197.11806	11.2
209.11842	57.8
225.11360	14.5
249.18590	100.0
253.09325	16.2
281.29214	9.2
305.17599	58.8
323.18588	12.4
541.26300	24.5
791.46484	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	845.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.2
59.83641	5.6
61.98829	21.0
71.01391	5.8
75.00881	6.1
84.49343	6.1
85.02992	6.5
91.00259	7.1
92.92786	10.3
96.96009	6.5
98.21900	16.2
116.92871	41.9
209.11847	8.5
235.08218	9.0
253.09230	12.7
263.16522	15.1
265.17999	8.8
281.17603	69.8
291.19708	62.0
307.19366	7.5
309.20749	100.0
431.21536	6.9
791.45325	9.3
809.47119	29.2
845.44739	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	845.447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.3
61.58974	16.8
61.98835	100.0
63.22455	16.6
65.26343	18.1
69.80908	58.7
79.38810	19.5
88.81633	16.7
88.98843	17.5
92.92837	49.9
94.92495	41.8
116.92816	38.9
136.89145	53.5
180.52301	22.9
209.11938	27.1
253.09453	23.2
265.18036	61.9
278.92880	19.0
307.19138	81.8
349.55286	18.0
543.28583	47.2
845.44379	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.6
61.98838	11.2
71.01392	4.7
82.74014	3.8
116.92903	7.8
171.10301	5.0
209.11853	5.3
219.17535	5.9
224.88512	4.2
253.09343	19.1
263.16516	29.1
281.17621	43.4
291.19693	53.7
293.21231	7.1
297.21356	4.0
308.24298	3.6
309.20728	100.0
310.20944	4.3
430.33899	4.5
470.09344	4.1
527.28510	7.8
545.29419	4.9
569.80457	3.6
845.44403	55.6
846.45441	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	845.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.9
61.98835	100.0
71.01397	1.8
82.07452	0.7
85.02991	0.7
89.02463	1.9
97.06610	2.8
101.02428	1.2
113.02507	0.9
116.92905	2.6
123.08171	1.0
125.09724	10.8
158.75658	0.7
161.59537	0.6
187.09769	7.7
253.09427	1.1
263.16635	1.2
277.21912	1.4
279.52304	0.7
281.17712	3.4
291.19727	1.8
295.45053	0.7
307.19043	0.8
309.20685	4.3
368.00388	0.8
465.58960	0.8
545.29822	1.3
782.51349	5.2
809.46954	1.8
845.45276	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	845.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	33.4
60.34845	5.1
61.98838	38.0
70.62734	9.0
71.01389	11.4
85.00461	6.6
89.02455	11.5
92.34293	6.2
97.06598	14.8
101.02438	9.9
103.01510	8.9
116.92857	19.5
123.08195	6.6
125.09742	56.7
134.89487	14.1
135.89485	7.3
136.89217	54.2
137.89162	7.2
180.86702	5.6
187.08264	6.1
187.09746	29.9
235.08391	8.3
236.30057	5.9
253.09366	7.7
263.16547	10.5
277.21619	19.4
281.17615	22.5
291.19754	18.7
293.21094	6.6
309.20786	61.7
529.11310	7.9
545.29620	25.7
559.95728	7.0
791.46106	7.1
809.46661	16.4
832.29114	6.4
845.45349	100.0
846.44995	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	845.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.9
61.98835	100.0
71.01397	1.8
82.07452	0.7
85.02991	0.7
89.02463	1.9
97.06610	2.8
101.02428	1.2
113.02507	0.9
116.92905	2.6
123.08171	1.0
125.09724	10.8
158.75658	0.7
161.59537	0.6
187.09769	7.7
253.09427	1.1
263.16635	1.2
277.21912	1.4
279.52304	0.7
281.17712	3.4
291.19727	1.8
295.45053	0.7
307.19043	0.8
309.20685	4.3
368.00388	0.8
465.58960	0.8
545.29822	1.3
782.51349	5.2
809.46954	1.8
845.45276	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	845.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	50.0
60.99308	20.7
61.98824	10.7
67.10467	8.4
71.76559	8.9
81.70348	8.6
88.98821	100.0
89.02454	29.7
103.01507	20.6
116.92880	27.0
171.10353	8.6
197.39310	7.9
209.11906	47.6
212.90488	7.9
235.08368	8.8
249.18718	20.6
253.09120	10.8
255.23282	20.8
341.23544	12.5
341.78250	9.0
397.13559	15.7
496.46341	9.3
572.82050	9.1
661.14954	9.5
717.84875	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	845.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.59353	0.1
61.98836	100.0
68.03534	0.1
69.03828	0.1
69.12099	0.9
78.84653	0.1
103.01521	0.2
118.88744	0.1
129.10393	0.6
142.75159	0.1
175.57719	0.1
176.02078	0.2
207.15077	0.3
240.08734	0.2
242.18759	0.3
281.17551	0.2
295.21530	0.3
295.88815	0.2
309.20706	0.3
337.26324	0.2
573.38251	0.2
782.51898	4.4
783.52484	0.3
832.69403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
60.48416	0.6
61.20211	0.6
61.98837	100.0
62.98526	0.8
63.99260	3.4
71.01404	0.6
78.47053	0.7
83.98837	0.8
85.83596	0.8
90.70592	0.6
98.22605	2.6
100.02707	0.8
101.02484	1.0
106.59819	0.8
111.00907	2.7
116.92859	1.0
117.26331	0.7
125.09727	3.4
135.08153	1.2
145.15520	0.8
171.10336	1.3
177.13184	0.6
185.11896	1.6
187.09938	0.7
197.11781	1.0
209.11844	3.9
226.09601	0.7
281.17560	3.5
282.18106	0.8
287.16684	2.6
291.19775	1.3
305.17703	4.6
307.19229	0.8
309.20728	5.1
310.21155	1.3
545.29785	1.7
705.35272	1.2
719.36035	1.0
783.52740	1.8
784.52557	4.0
809.47052	1.8
811.44604	1.5
829.44415	2.8
847.45721	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	848.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.30563	3.1
98.21856	1.2
111.00934	0.6
116.92892	0.9
134.89505	0.9
339.03049	0.6
438.96945	0.6
739.01929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
61.98835	100.0
68.11288	0.1
88.35362	0.2
116.92889	0.2
121.39674	0.2
209.11964	0.3
261.56555	0.1
311.84546	0.1
384.15247	0.2
717.49091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	26.3
61.98826	2.3
69.03456	4.7
71.01390	16.3
71.05021	2.4
73.02957	3.5
75.93908	1.3
81.03474	2.7
83.01379	2.4
83.05010	4.6
85.02949	4.4
87.00871	3.1
88.48013	1.2
89.02452	10.3
95.01402	1.6
95.05023	1.4
97.02954	3.2
97.06592	1.2
99.00883	1.5
101.02467	11.8
108.73130	1.3
109.06610	1.5
111.00876	1.2
113.02441	5.0
119.03506	2.0
123.08130	2.0
125.02464	2.6
125.09702	3.4
135.08163	1.4
148.36565	1.0
151.11348	1.2
153.12889	1.3
161.04556	1.3
161.09709	3.3
163.11287	3.7
171.10252	2.0
176.84166	1.0
179.10783	4.4
181.12367	1.6
191.10915	1.1
197.11850	62.5
207.10255	2.3
209.11847	47.8
212.96062	1.1
221.06616	2.5
225.11423	3.1
227.12915	2.5
241.10507	4.3
255.03162	1.9
256.12238	1.5
283.02377	1.7
315.13483	3.6
397.13699	2.4
415.14618	1.7
533.17633	2.0
770.87787	1.3
831.36621	1.9
849.37695	100.0
850.38354	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	849.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	31.2
61.98837	7.8
63.90442	1.2
68.99841	2.0
69.03462	1.8
71.01391	30.0
72.99310	2.5
73.02955	5.1
80.02699	2.5
81.03471	2.7
83.01395	3.2
83.05036	6.9
85.02957	6.1
87.00890	5.1
89.02462	14.9
95.01416	2.7
95.05057	2.4
96.96044	2.0
97.02949	6.2
99.00905	3.6
101.02460	13.1
109.06612	2.4
110.03780	3.2
111.00829	1.3
111.04530	12.7
111.08221	1.7
113.02475	5.7
116.92883	2.0
119.03547	4.4
123.04520	1.5
123.08171	2.3
125.02446	5.5
125.06145	1.7
125.09757	4.6
135.08127	1.8
135.16110	1.1
137.09796	1.2
143.03467	2.4
151.11333	2.4
161.04572	3.3
161.09741	6.0
163.11272	6.2
165.12900	3.7
171.10284	28.3
177.09163	1.8
179.05620	3.3
179.10799	10.1
181.12555	1.2
195.10324	1.5
197.11890	3.8
199.09917	1.4
201.11406	2.7
205.08707	9.8
207.10362	1.8
209.11859	100.0
210.12224	2.6
213.11427	3.1
221.06625	2.3
223.09790	35.0
225.11234	2.8
227.12903	13.6
235.08240	4.8
241.10846	3.2
253.09251	1.5
277.12802	1.4
295.87991	1.2
379.12625	3.4
389.46313	1.3
397.13550	30.3
415.14679	8.4
415.19952	1.7
589.24719	1.9
595.22943	1.6
603.22723	2.8
607.26477	2.0
621.23932	4.5
648.34399	1.2
663.65271	1.3
687.44238	1.6
736.28546	1.4
757.26099	1.2
813.36115	8.6
831.36627	13.0
849.37372	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	849.465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.1
61.98837	27.0
69.03426	2.7
69.15922	7.6
69.16342	6.9
71.01376	11.4
73.02951	2.6
77.33102	2.2
80.02675	2.8
81.03452	6.4
83.01395	2.9
83.05028	8.5
85.02937	3.8
87.00855	3.2
89.02440	6.6
90.77074	2.3
95.05009	4.6
97.02958	3.4
97.06596	5.7
98.22562	4.5
101.02441	10.1
107.05040	5.3
109.06590	4.5
112.20218	2.6
113.02481	6.5
113.06057	3.2
119.03511	2.8
121.02923	3.2
123.04572	5.2
123.08119	3.7
125.02434	4.2
125.06135	4.5
125.09741	14.8
127.07642	2.9
135.08170	11.0
137.09702	3.8
147.04527	2.6
149.06061	3.7
153.09271	12.5
161.04533	5.1
163.11295	20.8
165.12808	4.4
171.10277	13.3
173.78014	2.2
176.08437	4.8
178.09959	3.0
181.12329	3.2
185.11823	11.6
187.09743	2.4
191.10779	4.7
191.14436	15.7
197.11848	14.8
207.10275	13.8
209.11853	100.0
217.12445	3.9
223.13405	2.5
225.11365	11.3
235.08215	9.0
235.20912	2.5
236.10387	3.2
243.17542	5.4
245.19115	23.3
253.09352	18.0
261.18491	3.3
271.17096	4.9
277.17984	3.7
287.16571	20.0
289.18118	97.5
290.18463	3.1
305.17612	95.1
306.17731	2.7
307.19168	49.8
323.18533	19.7
402.52731	2.6
523.25562	3.8
525.27148	3.3
534.95105	2.9
541.26740	27.4
559.27325	7.6
578.42834	2.4
707.36310	3.7
751.39423	8.0
762.37927	2.7
813.43878	15.0
830.33710	2.3
831.45490	35.0
832.46039	5.3
849.46460	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	849.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.1
61.98830	39.9
69.64760	7.2
69.65158	4.6
71.01381	11.9
71.15262	2.6
72.85118	2.6
73.02976	3.1
83.05053	4.6
85.02931	4.2
87.00874	3.3
89.02445	5.8
96.96010	4.2
97.06575	5.7
98.22530	3.9
101.02418	7.4
107.04931	2.7
109.06599	3.8
113.02457	4.0
123.04538	4.8
123.08156	4.6
125.09760	13.1
127.07643	3.3
135.08177	18.9
140.37216	2.9
141.09232	2.8
153.09227	12.2
161.09694	3.4
161.39514	2.5
163.11301	7.3
171.10266	27.3
175.07593	3.8
185.11838	30.9
189.09158	3.6
189.12865	4.7
191.10658	3.0
191.14362	4.4
192.25821	2.4
192.27731	2.8
197.11852	10.4
209.11826	48.5
235.08209	6.5
243.17470	10.7
245.18988	6.4
253.09338	17.1
261.18671	3.2
287.16534	29.8
289.18124	33.0
305.17615	100.0
306.17725	4.0
307.19162	56.2
316.20438	3.0
325.20282	15.2
333.20792	4.8
498.58057	3.0
541.26709	6.4
543.27863	7.0
561.29236	3.2
705.55115	2.8
762.37927	5.7
813.44781	7.0
831.45276	16.5
849.46332	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	850.356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
61.98800	0.6
69.62052	0.7
69.62431	0.6
71.01375	0.9
78.33839	0.4
80.96490	0.5
83.01410	0.5
85.15480	0.5
94.32959	0.4
96.96004	0.6
101.02412	0.7
107.01389	0.7
108.02234	0.5
122.02514	2.7
125.02378	0.6
134.02505	2.9
134.03477	0.6
135.00888	0.7
136.88815	0.4
150.01987	9.5
153.34993	0.4
166.29442	0.4
171.80817	0.5
182.04570	1.9
186.05562	2.0
193.04999	0.9
195.31261	0.5
196.04041	0.8
214.05130	4.9
224.03577	1.2
225.04315	2.4
241.03821	8.4
242.04602	38.5
243.02884	1.0
243.05034	0.8
258.04007	0.7
271.02606	0.5
284.01974	1.7
286.03589	100.0
287.03943	2.2
301.03491	0.7
315.86993	0.5
316.04620	1.2
318.06192	54.1
319.06476	1.0
398.01886	59.4
399.02231	1.7
550.85968	0.6
639.23163	0.4
814.21552	0.5
824.46710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
78.12817	0.2
82.95426	0.2
92.92809	0.3
116.92885	0.3
128.19292	0.2
144.43155	0.2
144.93111	0.2
187.46159	0.2
209.11830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.1
61.98835	100.0
71.01389	0.2
73.20737	0.1
78.91867	0.2
80.91693	0.7
139.50859	0.1
149.28337	0.1
163.11130	0.1
175.27922	0.1
209.11929	0.4
253.09532	0.1
272.25122	0.1
305.17752	0.1
520.66882	0.1
523.80127	0.1
642.77301	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	851.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.2
61.98833	2.7
65.00346	0.5
71.01392	5.7
73.02950	0.6
79.08871	0.4
83.01389	0.7
83.05027	0.6
85.02952	0.6
87.00916	0.6
89.02435	1.8
93.03522	0.6
101.02438	2.0
107.01379	0.9
109.06589	0.6
113.02430	0.6
116.92809	0.5
117.03477	1.0
135.00949	0.6
151.00394	1.5
159.04507	0.7
163.11421	0.6
171.10263	1.6
179.05429	0.5
183.04510	2.5
201.11310	1.8
207.10280	1.3
209.11868	6.2
211.04086	2.2
225.11404	2.7
227.03528	30.6
227.12915	1.4
228.04019	0.6
235.08107	0.5
239.03519	0.5
255.03015	55.6
256.03687	4.6
283.02512	39.4
284.03302	33.5
285.04037	9.4
323.09821	0.5
381.01593	0.8
381.06244	10.4
397.13593	2.9
399.07309	1.0
415.14682	0.7
417.97836	0.5
441.08517	3.2
464.89423	0.5
482.44373	0.6
483.09464	1.4
501.10678	0.7
543.11511	100.0
544.11859	5.8
592.14081	0.8
833.38898	0.6
851.39392	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	851.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	34.3
61.98830	5.9
71.01389	26.6
71.05014	3.7
73.02945	6.5
76.60691	2.4
81.03440	2.8
83.01351	3.3
83.05038	5.7
85.02943	8.2
87.00894	5.1
89.02460	17.7
95.01369	2.6
97.02962	5.8
97.06621	2.5
99.00894	16.2
101.02455	16.8
108.02162	2.6
109.06599	3.6
111.00906	2.5
113.02436	8.0
119.03529	4.2
121.02975	2.4
125.02428	2.9
125.09731	7.0
134.03740	2.6
135.04515	3.2
135.08217	2.9
143.03513	3.1
150.03206	2.4
163.11327	13.9
171.10254	13.6
175.04021	4.2
181.12294	14.5
199.13464	12.0
201.11325	7.6
207.10298	32.4
209.11859	62.1
212.27879	2.4
225.11339	43.3
227.12877	5.5
243.12334	21.4
255.03014	18.2
283.02518	28.0
284.03079	7.2
285.04047	5.2
306.20920	2.3
385.65237	2.5
397.13599	15.3
415.14474	4.7
430.08856	7.5
464.04117	2.2
543.11609	5.6
602.35754	2.8
603.35272	7.4
623.25696	3.8
641.26746	3.5
647.17145	3.5
689.17139	7.8
690.18811	2.8
705.16644	8.1
706.17407	3.2
815.37689	4.0
833.37585	5.6
851.39246	100.0
852.39252	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	851.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.0
61.98839	4.0
71.01388	71.2
71.42796	1.0
73.02958	5.0
80.02696	2.9
81.03456	4.0
83.01404	3.3
83.05040	7.6
85.02958	8.2
87.00874	5.4
89.02447	15.6
89.60585	1.1
93.03427	1.2
95.05017	1.9
96.96008	1.1
97.02952	3.4
97.06618	1.4
99.00877	3.7
100.07922	1.2
101.02445	12.9
109.06619	4.7
113.02482	7.0
119.03529	4.5
123.08160	1.2
125.02486	6.5
125.06149	1.2
125.09689	2.0
127.11286	2.7
143.03490	2.3
155.10689	2.1
161.04601	4.5
161.09740	1.1
163.11311	10.4
165.09116	1.1
165.12856	3.5
171.10281	31.7
171.11659	2.2
179.05647	3.7
181.12416	4.1
185.11891	1.3
191.10805	1.5
197.11813	2.4
199.13441	1.1
201.11322	21.2
202.78696	1.1
207.10272	17.2
209.11841	100.0
210.12253	2.9
215.12964	3.7
217.07179	1.4
221.06656	2.6
225.11349	32.1
227.03549	4.6
227.12943	12.9
235.08202	6.4
243.12419	3.5
251.12906	1.9
253.09320	2.1
255.03056	10.8
276.06567	1.1
279.01926	1.2
283.02536	6.5
284.03220	4.8
285.03964	1.8
323.09863	1.9
376.54788	1.0
379.12204	3.2
381.06250	1.3
397.08685	2.4
397.13559	32.4
415.14716	11.1
439.14713	2.2
457.15930	1.5
543.11505	15.7
544.12091	2.7
605.24213	2.3
623.25616	4.2
797.36938	1.8
815.37048	4.9
833.38159	4.2
851.39154	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	851.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.9
61.98837	11.1
65.44226	2.9
65.90508	3.9
71.01398	16.2
73.02950	3.6
76.38272	3.1
83.05031	5.7
85.02957	4.8
89.02446	8.5
95.05026	2.9
97.06579	4.4
101.02454	12.2
107.05048	3.6
109.06635	3.9
111.08218	3.1
116.79749	2.9
125.06077	4.8
125.09746	9.2
127.07657	4.7
135.08160	5.3
153.09233	9.9
155.10811	5.6
161.04562	3.8
163.11317	9.0
178.10043	4.0
181.12317	7.4
185.11720	7.7
191.10805	7.0
197.11829	16.5
207.10286	6.9
209.11818	82.8
211.82951	3.8
223.51671	2.9
225.11255	4.0
235.08331	12.1
245.19064	8.0
247.20801	6.5
253.09346	16.2
261.18518	4.0
263.20270	4.7
265.18344	3.1
287.16528	10.9
289.18228	22.1
291.19684	30.5
293.21121	4.6
305.17593	46.2
307.19177	100.0
308.19473	4.5
309.20715	66.3
323.18665	8.5
325.20221	17.3
417.55536	3.3
459.69669	3.8
525.27203	4.5
527.28711	3.1
541.26587	11.9
543.28027	30.6
545.29742	12.7
679.36591	11.2
707.40027	4.1
753.40570	4.5
764.39471	3.8
815.45483	8.7
833.47156	38.4
851.47742	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	851.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.2
61.98834	14.7
69.09580	6.6
71.01385	8.4
71.04991	1.2
73.02934	1.4
80.80898	1.0
81.03466	2.5
83.01385	1.3
83.05024	5.2
84.02165	1.1
85.02954	3.6
87.00890	2.0
89.02451	3.9
93.03470	1.3
95.01392	1.9
95.05046	2.7
96.96022	7.4
97.02966	2.8
97.06583	2.7
99.08162	1.3
101.02431	7.2
109.02934	1.3
109.06569	1.9
110.03767	1.8
111.08215	1.1
113.02469	4.5
115.07658	1.8
119.03557	1.8
123.04542	2.8
123.08156	1.9
125.09708	7.3
127.07645	3.3
135.08183	3.3
137.09737	3.0
141.12863	1.3
145.05038	1.6
153.09210	16.3
155.10835	1.8
161.04578	3.0
161.09740	1.8
163.11325	8.6
165.12859	2.2
171.10283	29.0
177.12857	1.5
179.05664	1.8
181.12366	1.3
185.11839	12.6
191.10789	2.6
191.14420	10.6
197.11826	6.6
201.25063	1.0
207.10275	4.8
209.11844	47.2
210.12115	1.8
211.13394	1.1
217.15851	1.6
219.13916	1.5
223.13313	1.1
225.11363	4.0
235.08252	7.1
237.10976	1.0
238.12149	2.8
245.19121	17.9
253.09277	15.4
261.18695	1.7
261.56573	1.1
271.17126	6.0
277.98175	1.2
279.19678	1.6
287.16568	1.8
289.18103	88.7
290.18457	1.9
291.19873	1.6
297.20718	1.5
305.17578	2.4
307.19159	100.0
308.19543	3.5
325.20209	23.4
333.20895	1.1
422.56097	1.1
425.26590	1.5
525.26953	6.7
541.91510	1.1
543.28217	15.8
558.30743	1.1
561.29254	3.4
586.14111	1.1
614.25623	1.0
691.36993	1.4
709.38135	1.6
746.38849	1.2
764.40186	3.4
815.45337	6.4
833.47089	13.4
851.48047	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	851.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.1
61.98829	3.5
63.68308	1.0
63.77057	0.9
69.03443	1.4
69.97138	2.1
71.01395	8.9
71.05030	1.6
73.02953	2.2
80.02685	1.5
81.03455	3.0
83.01389	1.1
83.05053	5.2
85.02953	2.5
85.60838	1.0
87.00899	2.5
89.02454	5.4
95.05031	3.0
96.95993	1.6
97.02954	3.4
97.06604	3.3
101.02449	10.8
107.05048	5.8
109.06603	3.0
110.03707	2.0
113.02481	5.7
119.03503	2.7
121.02985	2.1
121.06702	0.9
123.04578	1.7
123.08164	2.6
125.02452	2.1
125.06107	3.9
125.09746	11.5
135.08194	5.8
136.05322	1.3
137.09680	1.5
145.05145	1.2
147.04559	1.2
151.11290	1.3
153.09235	10.5
153.12923	1.2
158.10205	0.9
161.04567	3.3
161.09819	1.6
163.11316	14.9
165.09300	1.3
165.12849	9.0
171.10309	8.2
176.08437	1.6
177.12982	1.0
178.10030	2.2
179.14400	2.2
181.12355	4.3
185.11920	4.8
187.09814	1.6
191.10831	5.2
193.16040	2.7
197.11855	14.7
205.15898	1.2
207.10300	11.2
209.11853	85.9
210.12244	1.3
217.12413	2.4
223.13390	3.8
225.11365	5.6
235.08252	6.6
236.10585	1.4
243.17484	2.4
245.15475	1.4
247.20665	8.5
253.06853	1.6
253.09312	15.6
261.18594	5.7
263.16492	1.2
269.15356	1.5
273.18631	2.1
277.18097	2.7
279.19681	1.9
287.16577	14.7
289.18030	1.5
291.19693	83.7
292.19901	2.0
305.17609	77.7
306.18115	1.4
307.19238	2.7
308.19476	1.1
309.20749	100.0
310.20975	1.9
323.18689	14.8
443.27979	1.6
523.25494	4.3
527.28644	1.1
541.26611	22.2
542.26288	1.1
559.27533	3.7
627.30341	1.3
707.36432	1.3
753.40833	9.2
764.40094	3.2
815.46704	2.8
833.46985	35.1
834.46912	1.8
851.48328	12.0
852.48218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	12.2
61.98834	80.9
62.38844	3.4
64.33353	3.4
64.81080	3.1
69.74000	13.1
71.01382	6.9
73.07832	3.4
78.78833	3.6
81.03458	5.4
83.05019	6.7
85.02956	4.0
89.02456	4.5
89.24737	3.4
94.57245	3.7
97.02938	4.5
97.06583	4.6
101.02450	12.9
109.02979	4.8
109.06633	3.8
111.00890	4.2
113.02497	6.2
116.92883	9.7
120.95859	3.8
121.10330	3.5
125.06120	8.7
125.09741	10.0
135.08232	4.5
153.09203	9.6
163.11272	7.5
165.12881	10.2
171.10294	8.8
171.73009	3.5
178.09865	3.7
181.12291	3.8
185.11783	10.0
185.13438	3.6
189.34811	4.1
195.13687	4.1
197.11795	23.0
207.10249	11.6
209.11839	100.0
225.11365	8.4
235.08209	7.8
253.09334	8.9
261.18777	3.5
273.18866	4.2
287.16431	12.4
289.18170	4.8
291.19705	36.4
305.17609	69.5
307.19153	10.8
309.20755	65.2
323.18570	22.4
359.21960	5.0
401.99240	3.5
541.26636	26.8
546.60712	4.0
691.36847	7.9
735.40552	5.7
753.40570	9.7
764.40137	6.1
815.45575	10.2
833.46948	52.6
851.47900	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	851.481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.5
61.98835	55.8
69.03462	2.1
69.84656	1.2
71.01378	10.0
73.02956	3.1
80.02677	2.1
81.03472	1.8
83.01405	2.7
83.05048	6.3
85.00451	9.0
85.02952	2.9
87.00904	2.9
89.02444	7.9
95.01418	1.3
95.05038	3.3
96.96014	7.2
97.02966	3.3
97.06609	5.1
101.02475	8.2
107.05072	7.0
108.02150	1.4
109.06622	4.4
110.03729	3.3
113.02467	5.3
115.07609	1.2
116.92875	4.0
119.03534	2.3
121.02979	2.7
123.04520	2.1
123.08169	4.4
125.02478	2.9
125.06113	2.8
125.09740	8.9
127.07710	1.8
127.09364	1.1
135.04501	1.5
135.08195	6.2
139.07713	1.3
145.05145	1.6
149.09747	1.7
151.11337	2.2
153.09224	9.9
161.04617	3.2
161.09703	1.7
163.11334	13.5
165.12833	9.1
171.10297	12.4
176.08481	3.0
177.09314	1.2
178.09975	3.0
179.05617	1.5
179.07166	1.5
179.10814	1.3
179.14479	2.2
181.12366	4.8
185.11841	6.2
187.09834	1.4
189.09145	1.8
189.12837	1.7
191.10812	5.0
193.16039	1.8
197.11850	19.6
201.11313	2.6
207.10255	10.0
209.11852	86.0
210.12204	2.5
211.13458	1.5
217.12354	1.4
223.13449	3.6
225.11292	5.8
227.12868	2.9
229.14352	2.2
235.08205	6.6
236.10530	3.4
243.17517	2.3
245.15437	1.3
245.19197	3.6
247.20656	6.8
253.09280	20.1
261.18671	6.0
269.15530	2.8
273.18707	3.2
277.18134	2.8
279.19678	1.4
287.16574	14.0
289.18216	11.5
291.19690	75.0
292.20056	2.4
295.19177	2.1
297.20633	1.4
305.17596	73.1
307.19214	23.8
309.20764	100.0
310.01498	1.4
310.20999	3.6
323.18665	13.3
325.20236	3.2
442.60449	1.4
507.26511	1.2
523.25647	3.6
527.28363	2.3
541.26660	24.8
543.28198	5.4
559.27612	4.0
597.16742	1.2
753.41138	6.5
764.39172	2.4
782.41089	2.0
815.46722	3.8
833.46918	33.3
851.48029	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	852.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53014	0.4
61.98836	100.0
62.06541	0.4
71.39800	0.4
82.95396	0.3
96.96037	0.9
122.42065	0.4
142.23831	0.4
209.11908	0.4
220.77562	0.5
240.78603	0.4
308.02393	0.4
484.00897	0.4
537.65405	0.4
600.02991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.316
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87568	0.2
66.00787	0.2
67.01905	0.3
71.01385	0.9
76.62672	0.2
79.05530	0.3
82.02985	0.5
83.01394	0.4
83.05015	0.4
85.02937	0.3
85.56167	0.2
89.02436	0.3
93.03484	0.4
94.03004	2.2
97.06648	0.3
98.02485	0.5
98.21815	0.5
101.02460	0.5
107.03828	0.3
107.58676	0.2
108.04562	2.7
110.06126	0.3
113.02470	0.4
120.04572	1.1
121.05347	0.4
122.06136	10.2
124.04067	1.3
132.04559	0.7
133.04099	0.4
134.06125	2.4
135.06929	0.5
136.04065	4.4
136.07697	10.4
137.02507	0.5
137.04826	0.5
138.05614	2.6
147.06926	0.3
148.04109	0.4
150.05620	9.8
152.07175	2.2
158.02428	0.5
159.05685	0.5
159.11819	0.5
162.05637	0.3
163.08742	0.5
164.07175	0.5
172.07710	0.5
174.09297	0.6
175.05141	0.3
176.03542	0.9
180.04376	0.3
185.09770	0.3
186.04289	0.5
186.09256	3.6
187.11342	0.6
188.10806	0.8
190.05138	2.7
191.05598	0.2
197.75372	0.2
200.05812	0.4
201.06558	2.4
201.08406	0.3
201.10080	0.3
202.07477	1.6
202.08823	1.2
202.10551	0.4
202.12381	2.0
212.10750	1.7
213.06656	0.5
214.07172	1.3
215.08174	2.9
216.09096	0.5
217.09862	0.3
226.07526	0.4
227.08258	0.3
227.11861	0.6
228.10347	3.1
229.09836	14.3
230.12045	8.4
231.11346	1.2
239.08435	0.5
240.09073	1.1
241.09953	0.5
244.08525	0.8
245.09337	5.6
245.12930	0.8
255.11372	4.4
255.13834	0.4
256.09909	0.3
257.09323	6.7
258.10052	2.0
259.10751	0.5
273.12466	22.2
274.10748	0.9
275.10373	2.2
290.12604	0.5
299.10489	0.7
317.11462	15.0
318.11838	0.5
334.11771	0.7
335.12509	100.0
336.12833	3.0
337.11911	0.5
517.18329	9.9
518.18726	0.5
631.24286	0.4
717.28497	0.5
749.30603	0.9
761.26343	0.5
793.29553	0.9
821.29407	0.6
853.31671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54953	0.2
65.99828	0.4
67.01897	0.3
67.84667	0.3
71.01384	0.6
74.44498	0.2
77.07336	0.3
82.02982	0.4
83.05024	0.6
89.02449	0.4
94.02986	1.7
95.05018	0.3
96.61491	0.3
98.02520	0.4
101.02422	0.3
107.03793	0.3
108.04558	2.5
116.39872	0.2
120.04546	0.6
122.06130	7.4
124.04044	1.4
132.04562	0.4
134.06140	2.0
134.60301	0.3
135.04546	0.3
135.06923	0.6
135.07922	0.2
136.04059	2.9
136.07687	7.8
138.05621	2.2
146.06215	0.4
148.04088	0.6
150.05618	7.1
151.06017	0.3
152.07159	1.7
154.30547	0.3
158.02487	0.4
159.05614	0.3
159.11842	0.3
160.07701	0.2
163.08670	0.3
172.07709	0.4
174.09271	0.6
176.03505	0.6
185.09758	0.4
186.09303	2.3
186.10800	0.4
187.11307	0.4
190.05136	2.3
201.06633	1.9
201.08264	0.3
202.07187	1.4
202.09012	0.6
202.12433	1.8
205.05396	0.2
212.10802	1.1
213.06552	0.4
214.09003	0.4
215.08206	2.6
216.09016	0.5
228.10349	2.4
229.09821	11.4
230.11983	7.5
231.11490	0.9
239.08273	0.6
240.08951	0.6
241.09802	0.5
243.11392	0.3
244.08496	0.6
245.09291	4.3
245.12961	0.7
255.11380	3.4
257.09296	5.0
258.10071	1.6
259.10818	0.5
273.12457	20.0
274.10580	0.5
274.13110	0.6
275.10364	1.7
290.12775	0.5
299.10513	0.4
309.09021	0.3
317.11438	14.3
318.11630	0.4
334.11749	0.8
335.12491	100.0
336.12863	5.5
337.11871	0.5
514.94513	0.3
517.10602	0.6
517.18292	9.9
518.18207	1.2
701.49854	0.3
717.28033	0.6
749.29773	0.6
761.26044	0.5
793.29547	0.9
821.28644	0.5
853.31226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	16.8
69.03454	0.9
71.01385	10.1
71.05022	2.3
73.02943	3.1
81.03449	2.1
82.95396	0.9
83.01396	1.6
83.05025	6.1
84.02171	1.6
85.00432	1.2
85.02950	2.7
87.00866	2.2
89.02446	6.5
95.01434	1.0
95.05058	1.8
97.02942	1.3
97.06577	1.9
99.04517	1.5
101.02464	7.8
109.06625	1.7
110.03744	1.2
112.05278	1.1
113.02439	4.4
115.07654	1.9
118.11047	0.8
119.03504	1.6
121.02979	1.5
123.04556	1.3
123.08175	2.3
124.05283	1.2
125.06133	1.1
125.09733	7.8
127.07642	4.5
127.11224	1.0
135.08118	2.9
137.09753	1.6
139.07729	0.9
141.09207	1.9
149.09698	1.0
153.09235	21.6
155.10732	1.4
161.04582	4.3
163.11276	8.3
165.12868	8.8
171.10277	40.0
172.10646	1.1
175.11299	1.0
177.12851	1.5
178.09975	2.4
179.05571	1.0
179.14479	2.1
181.12328	2.6
183.13914	1.0
184.93871	0.8
185.11824	8.8
191.10753	2.0
191.14357	2.2
193.15915	1.8
197.11847	8.3
207.10286	1.5
209.11841	63.9
210.12172	3.0
211.13411	1.1
219.13887	1.4
223.13367	3.1
226.82053	1.0
235.08302	5.3
235.20592	1.1
238.12086	2.7
245.19106	5.4
247.20720	8.6
253.09271	16.8
263.20291	2.0
271.17123	1.2
273.18561	3.2
279.19675	1.2
289.18124	16.7
291.19684	79.8
292.20016	3.4
297.20810	2.4
303.19943	1.4
303.42218	1.0
307.19165	91.1
308.19510	4.7
309.20731	100.0
310.21069	6.7
311.17874	0.9
325.20218	35.3
327.22083	1.3
383.82376	0.9
407.19019	1.5
427.28204	1.0
525.27014	3.5
543.28143	23.3
544.27960	2.1
561.29077	4.7
684.93048	1.0
709.37860	1.6
766.41345	5.9
784.42725	1.2
817.48108	1.0
835.48383	16.5
836.49280	2.9
853.49542	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	853.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18282	1.0
61.98834	21.0
69.03467	1.3
70.99551	1.3
71.01392	8.3
73.02947	2.0
83.05039	3.3
85.00433	1.2
85.02962	3.4
87.00879	1.1
89.02453	5.2
96.95994	1.4
97.02921	2.1
97.06604	3.1
99.04533	1.4
101.02432	7.0
109.02914	1.3
111.08207	1.2
112.05328	1.6
113.02454	3.3
113.09702	1.3
115.07690	2.3
116.92871	6.4
119.03524	1.3
125.09743	4.2
127.07669	3.5
131.65575	1.0
135.08142	2.5
141.09251	2.9
145.05037	1.6
153.09241	14.5
153.12843	2.3
155.10768	1.6
161.04593	2.0
163.11322	4.0
165.12842	5.8
167.14508	1.7
171.10275	18.0
178.10031	2.9
181.12332	3.3
183.13983	2.0
185.11810	6.2
191.14496	2.4
193.12378	2.2
193.15991	1.1
195.13904	3.3
197.11836	8.6
199.13391	1.8
207.10384	1.3
209.11838	37.7
210.12277	1.9
211.13399	3.7
215.12964	1.7
221.15472	2.0
227.12885	3.4
229.14445	4.1
235.08183	6.1
238.12119	2.2
245.19052	3.5
247.20761	5.4
253.09317	15.6
255.15999	2.1
263.20215	2.9
270.93912	1.1
273.18619	3.1
279.19659	1.3
281.21204	2.6
289.18066	13.4
290.18716	1.3
291.19699	42.3
292.19992	3.2
297.20715	2.5
305.17609	1.5
307.19156	63.6
308.19363	3.6
309.20724	100.0
310.21164	5.6
311.22214	1.8
325.20175	25.7
326.20456	1.5
327.21725	1.3
407.19290	1.2
463.21613	1.7
525.27222	2.8
527.28864	2.3
543.28241	15.4
545.29712	16.1
546.29675	2.2
561.29132	3.1
693.38574	3.3
699.39569	2.2
711.39679	1.4
766.41541	4.9
784.42145	1.9
817.48853	1.6
835.48596	11.6
836.48999	2.5
853.49463	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	853.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48203	1.0
61.98830	3.9
62.88435	1.1
63.32465	1.0
69.47163	4.1
69.97801	1.0
71.01383	8.5
71.04999	1.3
73.02950	1.6
77.16180	1.0
81.03448	1.7
83.05018	2.4
83.08118	1.1
84.02168	1.4
85.02975	3.4
87.00913	2.2
89.02465	5.6
93.18356	1.0
95.05038	1.9
96.96014	1.2
97.06579	2.3
99.00892	1.1
101.02445	8.4
109.06613	1.3
111.08192	1.4
113.02464	4.8
116.92852	1.7
119.03592	1.3
121.02898	1.2
125.06041	1.4
125.09745	3.5
127.07675	3.5
127.11295	1.6
145.05157	1.2
151.11349	1.4
153.09219	14.6
153.12892	4.7
155.10814	3.9
161.04521	2.8
163.11308	4.7
165.12901	4.4
167.10753	1.8
169.12355	1.4
171.10294	16.2
178.09995	1.7
179.10826	1.1
181.12381	5.1
183.13966	1.1
185.11911	4.7
191.10812	1.3
191.14439	1.7
197.11856	9.9
199.13312	1.6
207.10309	1.2
207.13925	3.0
209.11859	39.4
210.12175	2.4
215.12871	1.7
227.12926	2.6
235.08238	6.0
237.11308	1.9
238.12154	1.6
245.19052	3.7
245.84583	1.3
247.20721	4.9
253.09294	12.8
263.20193	3.3
265.17850	1.2
273.18671	2.9
279.19708	1.1
281.21143	1.8
289.18134	11.2
291.19699	34.2
291.22900	1.9
292.20093	1.5
307.19171	65.6
308.19568	2.2
309.20746	100.0
310.20963	4.3
311.22311	2.6
325.20242	21.5
326.20462	1.5
327.21777	4.2
361.22614	1.1
372.46503	1.0
431.84390	1.1
525.27258	3.3
527.28857	1.7
543.28119	13.3
544.28534	1.4
545.29742	20.2
561.28754	1.8
563.67578	1.2
699.40118	1.6
766.42059	5.3
783.26276	1.3
835.48346	17.4
836.48981	1.6
853.49457	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	854.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98496	0.1
85.47896	0.1
96.70441	0.1
105.26747	0.1
108.02073	0.1
138.92334	0.2
277.21686	0.2
290.61600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11660	0.2
61.91471	0.2
67.01875	0.3
69.03468	0.2
69.10166	1.3
70.13378	0.2
71.01391	1.1
71.88584	0.2
73.02930	0.3
81.03453	0.3
85.02953	5.4
87.00887	1.2
93.03475	3.2
99.04523	0.3
101.02430	0.4
109.02966	0.6
111.00859	0.3
111.04526	0.6
113.02427	0.4
119.05042	1.0
127.04034	1.5
134.03737	0.8
137.02422	0.5
145.02960	0.8
151.76813	0.2
153.01895	0.2
156.00696	0.5
160.04024	0.4
163.03995	1.2
167.03387	0.2
171.03009	0.4
173.04517	1.5
175.04039	0.5
178.02661	0.3
188.05379	0.3
190.02782	0.3
191.05621	100.0
192.05965	1.4
193.05067	1.1
205.05113	0.2
217.56721	0.2
235.06259	0.3
255.02972	1.0
277.05502	0.2
283.02493	2.6
284.03137	1.1
285.04071	0.9
292.33987	0.2
319.06741	1.4
337.09323	26.6
338.09659	0.8
355.57779	0.2
446.08740	0.3
447.09341	0.8
489.10410	0.4
531.15051	0.6
561.15851	0.5
632.28375	0.2
633.27765	0.5
693.16522	2.0
694.17963	0.5
855.31421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.6
71.95978	1.0
80.05074	1.3
84.61697	1.1
85.02957	3.4
89.02464	5.9
94.02993	12.1
101.02462	5.7
106.06641	3.4
108.04553	2.5
113.02460	3.8
119.03574	1.8
122.06136	1.4
134.06134	18.0
136.07692	3.6
138.05632	2.7
146.06119	1.7
147.69087	1.1
148.04109	1.2
150.05612	1.1
152.07207	4.6
160.04117	2.1
179.05676	1.3
180.06747	3.4
187.44193	1.5
188.07202	4.6
188.46245	1.4
225.10274	3.0
227.03557	2.2
227.11928	2.0
229.09917	1.8
239.08524	1.2
239.11940	2.7
251.08209	2.9
251.11952	2.3
252.09082	3.5
253.09850	4.0
255.02934	6.4
263.08133	1.8
264.09052	3.3
265.09921	3.1
267.11389	5.2
273.12537	2.7
274.12906	1.9
277.09821	4.2
278.06973	1.4
279.07809	4.5
279.11389	4.7
281.09601	1.1
283.02560	4.9
284.03333	6.7
285.04129	3.5
292.08612	3.6
293.09372	6.4
294.10236	2.0
295.10876	10.6
300.02829	2.2
305.09271	1.9
307.10873	8.6
318.11530	1.4
321.08755	4.5
323.10410	1.2
333.09000	2.8
335.12445	12.2
336.12772	10.0
337.13034	6.0
339.09735	4.7
351.09964	4.2
375.07642	1.2
440.16043	3.6
442.17972	1.2
458.17499	2.1
460.18112	1.2
463.08621	2.1
468.15625	2.6
486.16687	2.8
531.11078	3.0
620.22809	4.4
638.23663	6.9
640.25092	1.4
648.21704	2.3
666.23120	100.0
667.23608	7.2
693.16693	6.3
698.25714	99.3
699.26550	5.6
805.29517	7.1
823.30981	5.8
837.32422	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	855.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59310	3.0
61.12241	3.1
61.98832	22.3
69.14603	19.4
71.01397	10.0
77.24855	2.9
82.95418	12.9
84.95134	6.7
85.02960	4.7
87.00890	5.9
89.02453	3.7
96.96027	12.0
101.02460	6.9
150.88002	3.4
155.67393	3.7
161.02374	4.1
169.08705	5.6
171.10323	15.4
197.11888	7.4
201.11296	3.8
207.10229	8.1
209.11852	100.0
225.11353	8.7
227.12973	17.7
243.12361	6.2
253.09276	11.8
304.30359	3.5
305.17657	27.1
307.19235	5.3
315.64041	3.4
323.79053	4.3
347.75464	3.4
367.23517	4.5
461.20239	5.0
465.04102	3.8
483.82162	3.7
541.26599	6.4
543.27594	4.1
728.59766	3.7
733.38391	5.7
751.38892	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	855.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	43.8
69.03442	9.9
71.01395	29.4
71.40992	6.1
73.02953	18.6
81.03466	9.8
82.95403	6.1
83.01387	8.2
83.05031	15.8
84.02152	6.5
84.95140	7.6
85.00433	5.7
85.02937	16.6
89.02455	8.6
91.82101	6.5
95.05001	8.9
96.96024	16.9
97.02908	6.9
97.06596	18.5
98.03703	7.9
101.02464	19.9
107.04983	6.8
109.06554	9.4
111.00912	30.0
111.08161	9.9
113.06032	6.8
121.06600	6.6
123.08177	9.3
125.06089	26.2
125.09763	32.9
127.07616	5.9
135.08186	13.1
136.05347	6.3
137.09708	10.6
139.07664	30.1
141.05635	6.6
143.07175	37.2
149.06033	9.1
151.07687	29.7
153.09192	28.1
155.10780	8.4
157.08621	6.2
163.11295	9.3
165.09195	9.8
165.40700	5.8
169.08720	16.6
171.10266	53.2
172.10677	9.1
174.28389	6.0
177.05591	54.3
179.07230	6.7
181.08760	36.6
185.11868	11.8
190.10130	6.2
196.65773	6.9
197.11792	8.9
199.09764	100.0
201.11368	76.3
207.10324	12.2
209.11848	37.8
210.09099	8.5
213.11238	16.1
217.15959	6.9
225.11365	13.4
235.08269	20.4
253.09274	55.1
255.16197	5.5
259.13367	9.5
261.15036	8.6
275.24756	6.3
277.14453	21.1
277.17920	7.4
279.16061	52.2
291.19904	10.5
297.17020	17.4
303.16177	37.0
305.17584	16.8
307.19049	18.2
321.17288	36.2
325.20474	7.3
341.23309	13.3
395.48297	7.0
435.18680	32.1
446.04279	6.8
513.23242	6.4
533.25403	7.1
543.27582	10.7
557.25934	33.4
648.79944	7.1
679.33276	21.5
697.34125	47.8
715.35089	27.1
768.37231	8.2
837.43591	26.6
855.43353	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	855.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71245	11.8
61.98829	31.7
70.52299	17.2
78.91886	14.4
78.97536	12.6
86.44251	15.1
115.97708	11.2
197.11864	19.4
209.11826	57.2
230.30701	10.7
277.21692	78.0
305.17664	100.0
323.18478	20.3
487.63647	13.2
541.26508	40.1
577.75513	11.6
728.90039	13.4
801.47852	99.9
819.49170	31.3
855.45789	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	856.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38468	0.1
61.98833	100.0
93.30165	0.1
98.21798	0.2
106.21228	0.1
111.81697	0.1
116.92843	0.2
133.64839	0.1
246.45505	0.1
422.36255	0.1
428.36194	0.1
500.38754	0.1
579.13641	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54752	0.2
67.01882	0.4
69.43006	0.7
71.01382	0.5
72.47874	0.2
82.02978	0.8
83.05035	0.2
84.62058	0.2
85.02954	5.5
87.00871	1.4
93.03468	3.2
99.00860	0.2
100.04053	0.3
101.02502	0.2
109.02959	0.5
111.04543	1.1
119.05028	0.8
121.34025	0.2
127.04019	1.4
134.03764	0.5
145.02965	1.0
155.03511	0.2
160.01689	0.7
160.03995	0.2
163.04016	1.3
171.02954	0.5
172.03949	0.2
173.04564	1.2
175.04013	0.9
176.12347	0.2
190.02766	0.2
191.05620	100.0
192.05962	2.1
193.05074	0.7
229.09808	0.2
235.06133	0.3
248.09319	0.6
271.02518	0.2
273.12390	0.4
299.01938	0.6
335.12393	1.4
337.09305	26.5
338.09680	1.0
367.10272	0.4
396.72000	0.2
446.08682	0.2
447.08997	0.2
448.30832	0.2
489.16653	0.8
489.23569	0.2
514.51587	0.2
576.58588	0.2
609.15015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	2.0
69.19069	3.1
69.19466	1.7
71.01386	31.7
71.29278	0.7
72.99299	0.9
73.02950	100.0
73.57474	0.7
75.00889	0.8
83.01390	18.9
85.02956	5.2
89.02444	11.7
95.01405	2.3
97.02943	1.5
101.02448	59.0
101.55814	0.7
113.02454	21.6
119.03518	7.1
125.02477	1.4
131.03503	6.0
133.26173	0.7
140.09480	0.8
143.03508	7.7
143.36833	0.8
149.04579	15.8
155.03506	2.1
161.04564	28.4
164.15735	0.8
175.04089	1.4
179.05592	0.9
191.05690	1.4
203.05606	3.5
221.06679	12.8
221.08716	1.3
223.13423	1.1
276.82370	0.7
344.82043	1.0
347.47043	0.8
389.83356	0.8
429.15134	0.8
438.90173	0.7
476.64484	0.8
597.76385	0.8
766.42273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	14.3
69.54732	15.0
71.01367	10.2
72.68278	4.3
79.39381	3.6
81.03450	5.7
81.30664	3.7
83.01400	5.5
83.05016	8.4
85.00431	5.3
85.02937	5.3
87.00903	4.5
89.02449	9.9
90.50470	3.8
95.05053	6.9
96.96045	20.3
97.02953	6.5
97.06580	11.1
99.92636	6.4
101.02451	10.1
109.06636	6.0
116.92867	13.1
123.04524	5.3
125.02456	4.7
125.06097	4.3
125.09747	7.9
127.07715	4.5
135.08170	14.5
135.51012	3.8
136.01563	4.0
141.09557	3.7
143.07143	6.3
153.09225	9.1
157.08643	4.8
163.07687	4.9
163.11334	16.9
177.05563	6.7
181.08751	9.0
181.12489	4.9
185.11894	9.8
191.10841	4.6
197.11909	15.1
199.40952	4.0
202.86363	4.4
207.10231	9.8
207.29131	4.0
209.11871	100.0
210.12158	5.8
211.13362	5.5
217.15977	15.9
225.11345	9.5
233.15536	5.3
235.08134	5.9
245.19031	4.4
249.18669	9.8
253.09323	22.4
261.14987	23.8
261.18619	5.0
273.15265	5.0
277.14520	12.6
279.16016	17.7
284.53851	5.8
287.16458	12.1
289.18048	20.6
299.39011	4.3
303.15878	6.8
305.17624	64.8
307.19083	28.3
309.20673	5.1
323.18707	12.2
357.20392	4.2
369.66315	5.3
390.20636	4.5
397.13464	11.7
401.87000	4.2
439.39941	5.1
473.17957	4.2
523.25677	6.0
541.26624	33.5
567.33362	5.1
640.58063	5.0
723.36145	10.6
734.35687	8.9
752.36920	7.0
785.40997	10.3
803.42651	46.4
804.44092	5.9
821.43402	32.0
857.39520	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	857.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	61.7
61.99120	11.6
71.01382	14.9
82.95420	8.7
85.00432	30.8
87.00878	12.2
96.96037	8.6
101.02438	12.2
103.00904	11.4
103.01515	100.0
111.00883	9.3
116.92874	14.0
149.87701	8.6
153.09183	13.2
161.04622	11.5
169.12358	9.2
171.10289	10.1
181.08740	10.8
184.32076	8.4
197.11823	15.9
209.11887	55.0
225.11378	14.6
227.47403	9.2
253.09285	33.9
259.13403	11.3
261.14963	27.3
277.14420	29.6
277.18326	9.0
279.15912	17.6
287.16260	10.4
289.18097	71.6
291.19882	15.5
305.17657	67.7
307.19339	39.5
323.18680	14.4
329.23309	16.9
529.04199	10.3
541.26819	43.7
752.36151	10.3
785.41394	13.3
789.39044	10.1
803.42731	52.9
821.42944	30.2
857.39868	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	5.6
69.03470	1.9
69.67958	2.2
69.68325	2.3
71.01386	9.9
73.02949	2.4
78.91110	1.0
81.03434	1.8
82.95409	2.5
83.05029	8.2
84.02197	1.9
84.95123	2.1
85.00434	8.1
85.02961	4.5
87.00906	6.0
89.02453	7.6
90.92392	1.0
95.01454	1.1
95.05042	6.7
96.96026	13.0
97.02991	2.1
97.06583	8.7
99.00898	2.9
99.04544	2.3
99.08192	2.6
100.01682	1.4
101.02477	5.1
107.05035	2.5
109.06610	3.0
111.00950	2.1
111.08168	2.4
113.02468	4.7
113.09774	1.2
115.07687	1.8
116.92909	5.4
119.03498	1.3
123.08183	1.7
124.05365	1.4
125.06086	12.8
125.09742	9.4
127.07660	4.0
127.11330	5.8
133.06541	1.0
135.08186	5.4
137.09747	3.6
139.07680	12.5
141.09221	4.0
143.03542	1.3
143.07141	16.6
145.05092	1.8
151.07639	3.1
151.11244	1.7
153.09221	13.5
155.07167	2.4
155.10796	4.5
157.08733	3.9
161.04582	3.4
163.07669	1.5
163.11298	4.0
165.09209	3.2
165.12846	1.7
167.10800	1.3
169.08740	13.0
171.10291	40.1
173.08182	5.1
178.10014	2.8
179.00371	1.0
181.08743	10.2
181.12358	1.8
183.10358	1.4
185.11842	3.4
191.10744	1.4
197.11855	7.2
199.09796	3.0
201.11342	100.0
202.11617	1.4
207.10271	2.0
207.14035	1.3
209.11845	31.1
210.09015	3.0
213.11296	2.0
217.16080	3.0
225.11311	3.7
227.12865	3.2
235.08241	8.1
235.17079	2.0
253.09302	28.3
261.15042	8.4
277.14545	2.5
277.18143	1.1
279.16049	36.8
279.19177	2.2
287.16650	2.5
289.18182	4.0
297.17160	12.0
305.17636	16.1
307.19183	19.2
308.19406	1.2
323.18564	4.2
325.20209	7.4
327.21719	1.2
379.59430	1.2
407.19376	2.7
437.20343	4.7
463.27261	1.9
515.24829	3.0
541.26648	8.2
543.28217	9.1
559.27216	2.0
561.29492	2.0
630.29437	2.1
669.35016	3.5
687.35413	1.9
699.35547	7.7
711.35950	1.6
717.37372	2.8
752.35834	1.6
803.41425	2.1
821.42694	3.3
839.45062	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	22.7
65.70653	3.4
67.74905	3.7
71.78532	3.1
78.91901	6.0
117.24345	3.8
152.41777	3.1
153.09186	7.0
178.40581	3.4
207.02855	3.4
209.11806	11.5
235.08267	5.7
253.09227	11.7
277.21756	100.0
289.17865	5.4
307.19168	41.0
325.20175	20.9
525.27179	8.5
543.28131	13.1
626.16302	3.6
635.78204	4.3
734.42566	5.4
803.49805	45.8
821.50635	10.8
857.48254	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98861	0.2
66.31532	0.2
69.03460	1.5
69.31326	0.3
69.31739	0.5
71.01390	7.0
72.99305	0.8
73.02966	1.1
75.00889	0.6
77.03968	0.2
81.03455	0.4
83.01386	1.4
85.02958	3.9
85.24510	0.2
87.00884	4.6
87.04534	0.8
89.02453	6.2
93.03500	0.3
95.01384	1.0
97.02966	2.9
98.22643	0.3
99.00897	1.2
101.02448	4.8
106.04259	4.2
109.03008	0.3
111.00905	0.2
111.04548	0.2
113.02461	4.9
114.54772	0.2
115.04047	0.5
119.03522	2.4
119.05020	0.3
121.02969	100.0
122.03297	1.6
123.00896	0.3
123.04523	0.2
124.01679	0.9
125.02461	12.4
126.02811	0.3
127.04053	0.3
128.51315	0.2
129.01915	0.3
131.03606	0.4
133.06636	0.2
135.04541	1.9
137.02501	0.2
139.04063	0.5
141.01930	0.4
143.03520	6.9
144.03865	0.2
147.04517	0.2
149.02467	0.2
149.04546	0.3
151.04001	0.2
155.03418	0.2
161.04596	2.7
161.05920	0.3
163.04060	0.8
164.10818	35.2
165.11241	0.8
167.03542	0.5
175.04001	0.3
177.05550	0.2
179.05632	2.0
185.04558	0.3
189.05521	0.3
191.03484	0.3
193.05095	0.7
203.05597	0.3
205.05060	0.5
211.16045	0.2
221.06740	0.3
223.06259	0.2
235.08298	0.6
245.06691	0.7
247.06084	0.5
248.12924	0.4
251.05571	0.4
263.07697	1.5
265.07111	1.0
272.12927	0.4
276.45914	0.2
283.08331	0.3
287.07791	1.2
305.08792	1.4
308.15121	3.0
323.09818	0.2
326.16034	0.2
366.15387	0.2
367.10245	0.3
389.11313	0.2
407.11887	0.5
409.11295	0.8
416.12238	0.2
416.17120	1.2
430.18704	6.7
431.18961	0.5
434.17947	0.4
449.13046	0.8
452.19089	0.5
470.20282	0.3
500.19147	0.6
538.20868	1.1
556.21393	0.3
571.16693	0.7
574.22839	0.5
592.24323	0.2
614.24585	2.1
615.25818	0.2
631.16882	0.2
736.27820	0.9
766.52881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	15.9
68.49919	4.0
71.01384	12.5
73.02958	4.1
82.95422	9.8
85.00474	4.7
87.00851	4.1
88.98796	4.9
89.02464	9.2
94.83257	4.1
95.05044	8.8
96.96001	3.9
97.02986	7.7
97.06594	15.9
99.04454	3.7
101.02448	10.7
103.01490	15.7
104.98596	4.4
110.46452	3.6
116.92861	16.5
125.09711	9.8
135.08157	11.0
143.07156	9.8
147.77875	4.0
149.09802	4.3
153.09224	16.2
163.11266	12.8
164.64027	4.6
165.09250	5.3
165.12869	4.8
171.10272	40.8
178.10019	7.9
185.11830	12.1
197.11856	14.9
209.11882	70.0
211.13335	7.1
217.15933	21.9
227.12898	4.3
229.42836	4.8
235.08102	9.0
243.13922	5.6
253.09213	23.7
261.15094	28.2
261.17398	4.2
263.16580	7.0
263.19986	4.8
279.16095	46.1
281.17554	6.8
289.18201	22.2
291.20023	4.9
305.17557	19.7
307.15891	7.7
307.19174	100.0
309.20618	4.5
325.20258	40.8
407.19351	8.6
474.21286	5.5
525.27014	8.8
541.26526	8.3
543.28168	42.0
561.29327	11.7
677.35089	4.9
725.37836	5.6
736.37128	9.1
787.42798	6.7
805.43817	39.9
823.44708	26.9
824.77704	5.7
859.42804	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	859.426
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	58.3
69.67865	20.1
101.03700	9.8
116.92896	9.3
123.61000	9.0
171.10425	9.1
197.11890	15.5
207.10300	13.8
209.11867	100.0
211.13353	14.5
235.08072	11.3
263.16574	11.9
277.21823	9.3
281.17590	71.2
305.17700	67.0
307.19141	21.8
309.21063	9.1
323.18613	19.7
345.52704	9.6
517.26300	11.9
541.26550	57.0
559.27997	13.4
725.37115	16.3
754.37872	15.9
805.43982	86.5
823.44550	34.1
859.42462	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	50.8
71.01405	25.3
82.13886	10.9
83.05051	15.3
84.91262	11.9
88.98792	12.5
97.06616	11.5
101.02502	13.5
105.04947	12.1
116.92835	15.7
120.37384	12.6
128.56825	12.0
181.08638	16.9
190.93115	14.1
201.11327	99.6
233.15401	12.9
253.09277	18.7
277.14401	45.6
277.21548	15.6
291.19626	30.3
309.20712	100.0
343.19339	12.5
421.67426	14.3
543.27826	18.0
545.29578	47.7
805.43732	52.6
823.45074	22.8
859.43542	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	859.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	100.0
64.34242	20.8
69.93155	60.3
103.01488	66.2
199.13387	27.1
217.85429	21.3
235.08173	38.2
253.09161	49.1
277.21826	98.6
309.20660	32.9
327.21826	95.8
327.85196	19.8
375.01831	23.1
563.30560	26.1
794.40088	22.4
859.50012	43.7
867.12921	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21302	1.9
69.15467	5.4
69.15885	7.1
71.01388	34.2
73.02950	100.0
83.01397	20.0
85.02977	6.7
89.02460	11.6
101.02451	66.0
113.02464	22.8
115.00407	2.7
119.03501	10.4
119.59489	1.9
121.02977	9.0
125.11324	2.0
131.03499	7.1
134.12407	1.9
143.03525	5.4
149.04567	20.8
155.03438	2.3
161.04564	35.2
203.05682	2.6
221.06726	14.3
271.46664	2.4
392.46860	2.2
469.98389	2.5
706.38879	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	861.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
65.26733	2.5
76.24504	2.8
79.50658	2.7
83.45181	2.9
96.95992	3.1
98.21909	10.3
98.30405	2.9
110.10219	3.1
113.02415	3.2
151.95108	3.1
171.10281	5.9
209.11880	10.2
235.08344	3.8
253.09315	8.7
279.15997	8.1
281.17667	15.8
291.19653	6.8
307.19193	19.4
308.11523	3.0
309.20746	18.4
325.20221	8.4
336.07706	3.0
355.01849	3.3
462.87845	3.6
543.28131	6.7
545.29590	5.3
738.38959	4.5
798.51605	4.7
807.45337	12.4
825.46228	4.5
861.44220	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	861.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	27.2
67.81529	5.1
69.36308	23.8
71.01369	8.1
88.98822	4.9
89.02471	10.0
89.99373	6.6
92.92785	8.4
96.96024	7.1
101.02449	11.3
103.01515	6.0
116.92846	17.8
119.60471	5.1
151.64296	5.0
153.09174	12.3
159.32341	5.0
165.12801	5.5
171.10269	44.6
197.11847	9.9
209.11879	43.9
219.17456	11.1
235.08336	6.0
253.09294	23.8
263.16516	26.4
281.17645	77.6
289.18103	13.2
291.19540	10.2
307.19159	100.0
309.20856	25.8
325.20203	41.5
368.14020	5.2
397.13455	8.8
517.95020	5.9
543.28369	64.5
561.29730	8.5
649.93970	6.3
651.92419	6.3
738.38019	7.0
807.45404	34.4
825.46387	15.7
861.44208	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	17.4
62.81173	2.7
69.39603	2.7
71.01372	7.0
88.98820	4.5
89.02458	3.8
92.92882	2.7
93.81216	2.8
98.21791	4.8
101.02473	5.4
102.29369	2.7
104.46745	2.9
112.49569	2.5
116.92854	4.4
143.07147	9.6
153.09216	6.3
161.26459	2.9
165.05684	2.5
169.08719	3.9
171.10292	7.9
171.27618	2.7
181.08667	6.5
209.11951	4.9
210.08989	3.1
217.15883	5.0
235.08205	6.5
247.20609	4.3
253.09302	23.6
261.14954	8.9
263.19690	2.9
279.16080	42.2
281.17633	6.9
285.85306	3.0
289.18176	6.0
291.19696	54.6
297.17252	15.2
307.19144	7.6
309.20703	100.0
325.20175	5.3
347.81570	2.7
515.25153	5.4
527.28558	5.2
738.38220	9.6
807.45605	16.5
808.47150	4.1
825.47156	8.0
855.43793	3.2
861.43964	42.9
862.43634	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	861.442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	36.6
68.41002	7.3
69.10077	6.7
71.01418	8.3
75.59492	7.2
78.55260	7.1
78.68537	6.3
83.05072	7.9
85.02896	7.9
96.96040	20.3
98.21797	12.2
101.02432	11.2
103.01490	8.3
109.18836	6.6
113.02475	7.0
116.92840	11.0
171.10344	18.8
197.11920	11.5
209.11848	41.5
253.09219	12.7
263.16495	16.9
279.16040	9.2
281.17587	100.0
289.18097	19.5
307.19159	89.7
309.20685	19.1
325.20145	42.2
497.52835	7.6
500.35876	7.0
517.26459	14.3
543.28186	49.9
561.29205	10.3
665.35706	9.2
807.45502	62.4
825.45831	24.9
861.43658	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	861.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	29.3
76.88436	4.6
81.03465	5.4
83.05004	4.2
85.02973	5.2
86.89420	4.6
89.02441	22.0
97.02953	13.6
101.02459	25.5
109.06596	24.8
113.02454	10.7
125.02396	7.5
135.62434	4.8
161.04555	8.0
163.11324	20.5
167.95233	4.7
179.10660	4.9
207.10280	100.0
225.11325	34.8
235.08179	8.5
255.23291	80.7
314.46286	4.8
379.12320	9.9
397.13538	52.9
415.14722	14.4
768.39514	4.9
861.48663	70.8
862.49493	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	862.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	100.0
62.40218	19.9
101.02442	21.4
116.92831	23.6
121.02970	72.5
138.25618	23.2
144.28287	20.1
158.70461	20.3
171.10263	50.5
181.97758	22.2
249.80852	20.6
291.19650	35.3
308.07736	22.6
309.20734	43.2
377.53751	24.5
397.12885	24.3
426.91989	22.1
586.90826	29.5
621.42078	22.7
844.99835	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	863.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	1.9
71.42358	1.1
72.99310	1.4
73.02959	1.2
85.02946	1.1
87.00885	14.3
99.04520	11.5
101.02444	5.1
103.00377	13.4
112.98798	1.1
113.02469	1.1
117.03473	2.0
119.05043	2.0
121.02969	3.6
125.02489	4.6
130.99876	8.0
134.03755	37.4
137.02457	1.9
143.03543	1.1
147.48788	1.0
149.00900	2.0
149.06100	7.6
161.04521	2.1
163.03993	1.9
178.02736	16.3
179.05661	1.7
186.64095	0.9
193.05075	100.0
194.05446	2.2
221.10368	4.9
253.03522	3.3
263.11346	2.0
276.71030	0.9
303.14331	1.1
325.05679	19.9
365.14502	13.1
383.89310	0.9
406.00568	0.9
809.46344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	8.0
66.98021	1.6
67.01907	8.3
70.81368	1.3
71.01379	10.5
71.40704	1.3
71.41817	1.4
73.02957	2.9
85.02951	8.4
89.02458	7.3
95.90293	1.4
96.96013	1.9
98.61252	1.4
101.02429	4.4
103.01517	6.5
111.00897	100.0
113.02500	2.2
116.92883	4.8
119.03568	2.1
120.39231	1.5
129.01974	2.3
163.11435	1.9
181.12341	1.8
207.10365	1.6
209.11789	1.9
247.20758	1.9
291.19675	8.9
291.22586	1.6
309.20804	36.2
359.22507	3.8
397.13547	11.8
415.14648	9.4
427.52969	1.7
454.24799	1.5
527.31061	1.6
614.34302	1.6
707.35175	17.8
819.37122	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	863.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.5
65.87749	1.8
71.01399	8.0
73.02959	3.0
79.19347	1.8
85.02946	2.7
89.02470	4.5
99.00921	2.8
101.02444	6.1
108.22215	2.0
113.02454	3.3
150.03317	2.4
161.39638	2.0
172.61252	2.0
255.02988	4.5
279.63040	2.1
284.03519	2.6
307.87918	2.2
317.33261	2.1
561.38721	2.4
665.38696	5.7
767.41766	4.5
827.44763	19.8
828.43518	3.1
863.42169	100.0
864.42596	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.5
71.01391	15.8
71.05025	0.8
73.02963	3.4
80.02700	1.1
81.03476	2.2
83.01414	2.5
83.05032	4.9
85.00449	0.7
85.02975	4.1
87.00890	3.5
89.02443	13.1
95.01407	0.9
97.02954	2.5
101.02457	10.6
106.52198	0.8
113.02454	6.9
119.03503	4.1
125.02478	6.1
131.03418	1.0
143.03516	2.3
161.04593	3.4
163.11316	4.4
165.12811	2.1
179.05627	3.6
181.12338	0.8
209.11847	100.0
210.12241	1.9
227.12946	11.1
235.08286	4.3
255.23312	48.6
256.23676	1.7
272.87415	0.8
287.07849	2.5
305.08987	1.9
323.09863	1.4
379.12479	9.8
397.13538	42.0
398.13800	1.9
415.14609	7.6
522.62274	0.9
547.35339	0.9
607.26526	1.2
653.37494	1.4
703.51227	1.1
750.74768	1.0
784.38367	1.0
797.65833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.72041	0.6
69.72384	2.2
88.98847	1.1
98.22561	1.1
102.73518	0.6
110.13570	0.6
119.53403	0.6
145.13182	0.6
326.45630	0.6
368.27972	0.6
782.61688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	13.0
71.01392	24.8
73.02925	4.6
76.66028	2.5
78.11680	2.6
81.03458	4.0
83.05048	8.3
85.02962	8.8
87.00896	4.4
89.02457	16.3
95.01415	3.9
96.96022	5.5
97.02954	8.4
100.89662	2.6
101.02467	18.0
109.06602	26.0
113.02469	8.0
116.92876	4.2
119.03513	5.9
121.02936	8.3
125.02485	5.9
125.09685	3.2
135.08182	6.8
143.03493	3.4
163.11279	18.8
165.01956	4.6
165.12833	4.2
172.81439	2.7
179.05557	4.8
181.12297	7.2
207.10275	72.3
209.11850	100.0
210.12282	2.8
225.11359	44.1
227.12935	15.1
379.12625	4.5
397.13589	27.6
399.21796	3.7
415.14526	10.7
417.22488	4.8
560.23938	3.2
605.24438	7.3
623.25482	7.6
761.39709	4.3
779.39532	3.2
797.36340	16.9
815.36578	15.5
833.38116	33.9
834.38062	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	865.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	22.7
84.44817	12.2
85.02996	16.3
89.02444	27.2
95.90987	13.3
96.45779	12.2
97.02937	17.5
98.21785	27.5
101.02457	17.7
113.02471	14.0
116.92850	15.0
131.12051	13.3
171.10217	100.0
209.11876	35.6
277.21756	52.8
291.19766	35.2
293.21298	14.4
305.17532	21.6
323.22308	16.7
365.08466	13.5
378.07047	14.0
379.12158	17.3
397.13403	56.2
434.51566	14.8
532.86212	14.9
734.45001	15.2
828.91113	15.0
848.36774	15.3
865.44757	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04078	1.7
61.98839	14.7
61.99118	2.7
69.03444	2.2
71.01389	16.0
73.02934	3.0
75.23756	1.9
80.02670	3.6
80.32426	1.6
81.03443	3.4
81.30712	1.8
83.01424	1.8
83.05032	6.7
85.02931	5.6
87.00889	4.4
89.02464	7.9
92.92797	2.4
95.01370	2.6
95.05025	4.0
97.02959	4.3
97.06615	9.1
98.21778	4.4
101.02457	10.1
102.63825	1.7
107.05043	10.1
108.02177	2.6
109.02956	2.2
109.06616	5.2
110.03720	3.7
111.00909	3.5
113.02478	4.4
113.06101	2.9
121.02952	5.6
121.96121	2.0
122.03767	2.5
123.04540	3.1
123.08164	8.4
125.02487	2.9
125.06111	8.0
125.09743	31.0
133.06641	1.9
135.04488	3.1
135.08154	10.0
137.06078	2.3
139.07687	2.3
141.09300	2.4
143.07149	8.8
147.04526	1.9
151.07663	3.5
153.09280	9.2
161.04572	2.2
161.06041	2.4
163.11340	11.3
165.12813	3.1
171.10266	2.5
175.43373	1.9
176.08414	3.9
177.05618	13.2
177.09212	2.3
178.09969	3.2
179.10735	2.0
185.11864	14.6
185.30286	2.1
187.09764	7.8
191.10782	7.7
197.11859	20.2
203.10883	3.4
206.76141	2.1
207.10240	17.2
209.11856	100.0
210.12082	2.9
217.12407	2.1
221.11916	2.0
223.13342	2.9
225.11293	7.2
235.08208	5.1
245.15540	2.3
251.12845	4.9
253.09338	6.1
261.18600	4.3
263.16635	2.3
277.18124	8.3
279.19641	2.9
285.14938	2.5
287.16623	12.7
303.16022	7.1
305.17596	52.0
307.19156	6.2
321.17212	4.9
323.18478	11.1
343.19376	2.5
359.22397	3.0
373.20233	2.3
405.17609	2.4
431.36435	2.1
487.21524	2.8
523.25446	4.2
541.26599	18.3
557.25903	4.1
559.27728	3.4
597.29370	6.7
609.29871	3.4
705.35382	5.1
707.36914	4.1
719.36145	4.1
721.37866	10.4
723.35907	6.5
733.38232	5.7
737.37769	13.6
749.37494	5.0
751.39764	2.9
767.38770	12.0
778.38092	5.4
796.38397	3.1
811.43005	2.3
829.43738	28.5
847.44598	23.1
865.46698	13.3
893.36700	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	866.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
66.33062	0.2
71.41935	0.2
73.98327	0.2
74.23453	0.2
79.91640	0.2
88.30510	0.2
95.93877	0.2
96.96011	0.3
100.54459	0.2
101.82632	0.2
122.54399	0.2
214.03430	0.2
224.33336	0.2
341.48145	0.2
347.63315	0.2
605.12457	0.2
862.96356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57114	0.2
69.17948	1.5
69.88715	0.3
71.01381	0.6
73.02966	0.3
81.79885	0.3
89.02475	0.4
93.37296	0.2
101.02467	0.3
109.36833	0.2
113.02438	0.4
119.03532	0.4
122.06111	0.5
123.03281	0.5
134.06145	0.6
136.04070	0.3
140.30386	0.3
158.02518	0.3
160.04074	0.3
174.50500	0.2
178.05257	0.3
190.05099	1.0
200.10785	0.3
213.06721	1.0
214.07182	1.8
214.09105	0.5
215.08350	0.4
218.08287	0.4
227.08362	0.3
227.11911	1.7
228.08940	0.6
229.09822	6.3
230.10297	0.3
231.07808	0.4
231.11412	0.8
243.11411	9.9
244.08521	1.8
244.12178	4.6
245.09418	2.5
255.11446	3.5
257.09329	24.4
258.09674	0.8
259.10892	9.9
260.11630	2.7
271.10907	1.0
272.11688	15.4
273.12411	2.4
275.10385	12.3
276.10687	0.5
289.11905	0.3
290.12741	11.3
294.53717	0.3
303.09894	0.9
311.14099	0.3
313.58163	0.2
316.10675	4.7
317.11166	0.3
331.13028	2.0
334.11728	6.4
337.11926	0.6
349.14059	100.0
350.14380	5.1
517.18164	4.4
518.18994	0.6
689.61401	0.3
759.28589	1.6
791.31537	1.0
867.32843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	1.5
71.82635	0.3
72.44788	0.3
73.02948	0.7
77.96550	0.3
85.02964	0.6
89.02453	3.1
93.03472	1.0
93.15464	0.3
95.15677	0.3
98.30591	0.3
99.00889	0.7
101.02439	1.4
120.01299	0.3
121.02972	3.6
124.82900	0.3
129.89606	0.3
134.03752	1.1
135.04549	3.0
137.02446	0.5
149.02460	29.1
149.04530	2.2
150.02795	0.4
151.04039	0.8
152.01186	3.8
163.04021	5.4
164.04807	30.3
164.66713	0.3
165.01965	1.4
167.03464	0.7
169.05092	1.8
175.04024	0.5
179.07149	9.5
180.04356	0.3
191.05644	1.2
193.01428	13.2
193.05066	1.7
207.59119	0.3
208.03781	38.6
209.04173	1.1
223.06126	100.0
223.29585	0.4
224.06551	1.9
235.00127	0.3
251.07932	0.3
265.07083	0.5
299.01923	0.5
311.09952	0.4
340.15634	0.7
374.23199	0.3
385.11407	30.1
386.11792	0.9
667.14941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	9.6
69.03452	1.8
69.18353	6.9
71.01392	15.1
71.05012	2.3
73.02929	3.9
74.97943	1.1
79.56476	1.3
83.01381	2.3
83.05034	1.5
85.02958	5.9
87.00867	3.9
88.98815	1.1
89.02456	12.8
93.03450	1.9
96.96017	2.3
97.02963	6.5
97.06576	2.7
98.21929	2.2
99.00888	24.5
101.02464	10.1
105.93623	1.1
109.02991	1.6
109.06593	2.3
110.03731	1.2
111.00878	2.7
113.02460	5.0
116.92818	1.1
119.03524	2.5
119.05064	1.2
123.08152	1.9
125.02439	2.1
125.09734	8.1
129.01830	1.3
134.03781	1.9
143.03511	1.8
160.01668	1.6
160.04150	1.8
161.04570	2.3
161.09708	2.1
163.11293	10.0
165.05513	2.0
171.10266	2.2
175.04021	1.2
179.10814	1.8
181.12373	16.4
188.83496	1.2
191.05574	1.3
193.04968	2.2
197.11819	11.7
199.13426	11.1
201.11360	6.5
207.10274	35.3
209.11835	7.8
221.06627	4.0
225.09129	2.6
225.11334	49.9
226.11658	1.5
227.03481	2.9
243.12372	31.8
255.02985	6.0
283.02417	3.2
284.03149	4.9
285.03882	2.9
359.74707	1.2
415.14676	1.4
573.12549	2.6
623.26691	1.6
641.26532	3.4
823.36224	3.3
849.37787	10.6
867.38745	100.0
868.39075	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	867.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	2.7
61.98833	4.5
69.87404	1.6
69.87755	2.4
71.01388	8.8
73.02964	2.3
74.48577	0.8
74.64064	0.8
80.02684	1.6
81.03465	2.4
83.01387	1.5
83.05042	6.0
85.02953	2.2
87.00858	1.6
88.98809	12.3
89.02454	8.4
92.33411	1.0
97.02944	2.1
101.02442	7.4
113.02456	4.2
116.92876	1.7
119.03519	2.7
125.02440	2.6
160.04065	6.4
161.04570	1.9
162.83920	0.9
163.11302	4.9
165.12851	3.3
171.10294	1.0
175.04065	1.2
179.05574	1.1
193.05072	1.0
201.11264	1.5
207.07684	1.0
207.10262	1.2
209.11847	100.0
210.12117	2.3
217.07179	1.0
227.12904	17.0
232.91736	1.0
235.08188	1.8
244.99380	0.9
259.15652	1.1
283.02472	1.3
287.07452	1.1
379.12610	2.4
394.27237	1.1
397.13547	20.5
415.14575	4.5
607.25940	3.1
651.10535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60452	0.9
61.98835	9.1
66.76412	0.7
69.03465	0.9
69.92827	1.1
69.93181	2.4
71.01389	11.8
71.05021	1.2
72.99313	1.0
73.02935	2.7
76.90914	0.7
78.47868	0.7
80.02686	1.9
81.03482	3.0
81.13236	0.7
82.36333	0.7
83.01394	1.8
83.05040	8.7
84.02172	2.9
85.00430	1.0
85.02953	3.9
87.00884	2.6
89.02446	6.5
93.03447	0.8
95.01387	1.2
95.05033	2.4
96.96010	3.6
97.02972	2.8
97.06617	4.5
99.04521	1.4
99.08183	1.2
101.02456	7.7
107.05036	6.1
108.02144	0.9
109.02930	0.9
109.06588	3.0
110.03742	2.3
111.00880	1.9
111.08205	1.3
113.02443	4.2
113.06138	1.5
115.07703	1.8
119.03508	2.0
121.02954	3.4
123.04556	2.5
123.08183	2.0
125.02433	2.6
125.06111	4.4
125.09734	12.0
127.07664	5.4
127.11304	1.4
133.02930	0.9
135.04584	0.9
135.08197	6.0
137.09673	1.7
139.07655	2.8
141.09262	1.6
143.07166	4.2
145.05125	1.1
147.04564	1.1
151.03915	1.0
151.07657	1.4
151.11407	0.9
153.09224	17.1
155.10855	1.0
161.04556	2.9
163.11288	10.7
165.09172	0.9
165.12871	4.7
171.10286	28.9
172.10632	0.8
176.08405	2.1
177.09236	1.0
177.12836	1.2
178.10059	4.2
179.05618	1.7
179.07129	1.1
179.10588	0.9
181.12376	3.4
183.92188	0.8
185.11844	13.8
187.09795	2.2
189.09131	1.4
191.10794	5.4
191.14488	1.4
193.12396	1.0
197.11847	20.9
198.12253	0.9
201.11317	0.8
203.10667	0.9
207.10265	9.4
209.11844	100.0
210.12160	2.8
211.13402	1.8
217.12408	1.4
225.11275	4.2
227.12775	0.9
235.08185	4.9
235.13432	1.8
236.10550	2.7
237.11409	1.4
238.12115	3.6
239.12958	0.8
239.16440	0.9
243.17424	1.3
245.19119	3.4
251.12822	1.5
253.09277	11.0
253.14421	1.1
256.13058	0.9
261.18570	3.8
263.16690	1.0
263.19717	1.0
265.17920	1.3
267.63760	0.8
269.15335	1.3
277.18069	2.6
279.19617	4.2
287.16556	11.8
289.18094	13.9
291.16089	0.9
291.19559	1.2
305.17603	49.4
306.17856	1.4
307.19168	66.6
308.19559	1.5
323.18643	10.5
325.20251	25.3
423.19250	1.2
423.25446	1.1
474.21078	1.8
523.25610	2.8
525.27039	2.6
541.26495	13.1
543.28119	20.5
544.28802	1.9
559.27271	1.9
561.29236	2.8
691.37085	1.4
695.36700	2.7
707.36725	1.6
709.38763	1.0
721.38354	1.9
723.39728	1.4
725.38043	1.8
733.37549	1.1
735.39587	1.7
739.39508	1.5
751.39386	1.3
753.40771	1.7
762.38507	2.3
769.40717	5.7
780.39423	4.7
813.44580	1.6
831.45477	16.0
832.46045	1.6
849.46606	19.5
850.48053	1.3
867.47565	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	869.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88690	2.5
61.98833	35.0
71.01384	22.5
83.01373	9.4
85.02951	7.2
88.98786	3.6
89.02441	17.4
94.03005	11.7
101.02456	16.7
106.06658	3.2
108.04526	2.7
109.44213	2.4
113.02457	10.0
117.06981	2.5
119.03467	7.0
119.05045	3.1
121.02999	2.9
122.06106	2.7
125.02427	2.4
127.48281	2.6
134.06133	26.3
138.05641	3.3
150.05566	3.7
152.07161	3.7
175.03949	3.4
190.05153	3.0
201.10347	2.9
225.10339	3.4
239.11923	3.6
249.10394	5.1
250.07446	3.5
253.09639	4.0
255.03011	7.2
263.08047	3.3
265.09781	8.6
266.10437	2.8
267.11331	5.9
277.09973	4.0
278.06985	8.6
278.10239	5.0
279.07928	6.0
279.11340	8.3
283.02466	14.9
288.58905	2.9
292.08716	4.7
293.09409	20.3
294.09915	5.2
295.10822	7.0
301.11819	3.3
306.10052	3.3
307.10931	6.3
309.12350	4.2
319.12988	8.4
337.08261	6.5
339.09903	5.3
351.10220	3.7
376.68542	2.7
398.15042	4.4
486.16681	7.5
502.16428	3.4
621.23169	3.3
638.23059	8.2
647.16016	8.0
666.23212	24.4
680.24597	10.9
712.27283	41.8
745.27051	5.6
777.30078	6.4
805.29315	43.1
819.30701	11.6
837.32086	100.0
838.32538	6.1
845.47546	3.1
869.34808	37.1
880.68854	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	869.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
63.93249	1.1
71.01387	17.4
71.82232	1.2
73.02937	1.6
80.05070	2.4
82.18410	1.1
83.01434	1.3
85.02959	5.4
87.00896	2.0
88.98802	2.0
89.02453	13.9
94.02988	8.7
98.21838	2.0
100.29738	1.4
101.02460	11.3
106.06652	3.9
108.04527	3.1
113.02467	6.2
114.44439	1.1
119.03501	4.0
122.06113	3.6
134.03758	3.1
134.06142	23.7
135.04526	2.0
136.04059	2.4
138.05641	3.5
150.05630	2.5
152.07188	4.9
160.01607	1.5
160.04077	3.3
161.04558	1.2
168.00175	1.1
175.04050	2.1
179.03552	1.5
179.05450	1.4
180.06535	1.2
190.05154	1.7
191.05609	5.7
193.05006	1.8
201.10327	2.4
211.08673	1.3
223.08859	1.8
224.09552	1.6
225.10335	4.3
227.11920	1.7
229.09804	6.1
229.13388	2.6
237.10297	2.7
239.11900	2.6
249.10368	3.5
250.07420	2.8
251.08177	1.9
251.11824	1.6
253.09767	2.6
255.02946	3.3
255.11493	2.1
257.12930	1.2
263.08325	3.9
264.08981	1.6
265.09857	3.2
267.11331	3.0
273.12384	1.9
277.09836	6.1
278.07172	2.6
278.10635	4.7
279.07712	4.2
279.11371	6.7
283.02664	2.6
285.04047	4.7
291.07861	1.8
291.11057	2.3
291.62711	1.4
292.08557	2.3
293.09375	8.6
294.10101	3.2
295.10873	4.5
301.11993	3.4
305.09332	2.1
307.10938	5.1
319.12967	11.0
321.12576	2.3
322.09564	1.5
337.08621	2.4
339.09818	2.7
351.09854	2.0
367.09698	1.5
370.15729	1.5
374.15063	2.0
392.16367	1.3
398.15479	1.5
410.14719	1.3
416.16205	2.4
446.17044	1.8
458.16824	1.7
604.23462	1.6
605.23395	1.8
620.22253	1.7
621.14777	2.6
636.25439	1.8
638.23883	3.7
648.21924	2.4
666.23010	11.6
680.24908	3.1
701.28406	1.5
712.27130	10.7
743.28998	1.4
761.30396	3.7
769.36920	1.5
777.30774	3.4
805.29456	55.6
806.30035	3.9
809.32117	1.5
819.31464	2.1
837.32062	100.0
838.31824	7.6
869.34845	15.4
902.24347	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	92.6
62.99339	8.5
64.96554	9.1
71.01371	11.2
95.04909	9.9
95.21299	10.8
96.96028	16.1
98.22707	19.5
116.92860	13.5
118.87897	9.4
123.78115	11.2
136.92110	9.8
141.01750	14.0
206.11658	9.2
209.11758	14.9
253.09280	15.8
287.16467	22.5
291.19623	43.1
293.21216	12.2
305.17645	100.0
309.20712	77.7
849.70508	11.8
869.45471	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	69.4
71.01370	4.4
85.00446	100.0
101.02425	5.4
101.85768	4.4
116.48996	4.1
116.92857	8.7
126.13115	4.0
171.10304	5.9
185.11821	5.1
191.14442	4.5
209.11847	7.5
245.19090	4.9
253.09250	7.6
265.49728	4.6
289.18112	34.5
291.19818	5.4
307.19119	31.8
309.20551	6.1
312.73019	4.3
448.76242	4.4
517.15973	4.1
600.51648	4.2
783.52179	16.2
785.86597	4.5
815.45801	5.3
833.46967	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	869.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	4.3
69.03445	0.5
69.65412	1.0
69.65777	1.6
71.01389	9.2
71.05013	1.6
72.02166	0.5
72.99333	0.6
73.02957	3.1
80.02676	1.5
81.03442	1.5
82.95413	1.8
83.01390	1.4
83.05038	5.9
84.02145	0.9
85.02957	3.6
87.00885	2.6
89.02448	6.0
89.80408	0.5
93.03470	0.8
95.01384	1.3
95.05036	3.2
96.96045	1.2
97.02961	1.0
97.06599	2.3
99.04503	2.5
99.08192	1.2
101.02444	6.6
107.04978	0.5
108.02184	0.5
109.02946	0.7
109.06599	2.5
110.03746	1.1
110.28180	0.5
111.00856	0.6
111.04545	0.7
111.08139	1.4
112.05305	2.1
113.02470	3.0
113.06155	1.0
115.07676	3.3
119.03469	1.5
121.02966	1.3
121.06601	0.8
123.04570	1.0
123.08134	1.5
125.02429	0.6
125.06104	1.1
125.09722	8.3
127.07659	5.5
127.11292	1.2
131.03537	0.7
135.08144	3.4
137.09720	1.1
138.06898	0.9
139.07635	2.5
141.09178	1.4
143.07152	1.3
145.05064	1.1
147.11815	0.6
149.09711	0.9
151.11327	1.1
153.09229	23.8
153.12807	0.6
155.10809	3.4
161.04582	2.9
163.11314	5.3
165.09192	0.8
165.12877	3.8
167.10753	1.2
171.10283	42.8
178.10020	4.0
179.05646	1.4
181.12253	0.9
185.11844	12.0
191.10779	3.9
191.14461	2.1
193.12259	0.8
195.13829	0.9
197.11858	12.6
207.10251	1.3
209.11844	73.3
210.12169	1.5
211.13435	0.7
219.13937	1.2
221.11836	0.8
223.13390	1.7
227.12892	1.9
235.08244	4.2
235.20599	0.9
236.10567	1.4
237.11392	1.4
238.12062	3.5
239.12831	0.9
245.19101	4.8
247.17075	0.7
251.16592	1.2
253.06850	1.0
253.09271	9.5
253.18121	1.0
256.13214	1.3
261.18475	1.3
263.20190	2.0
265.17993	0.9
279.19623	2.1
281.21564	0.7
289.18121	22.7
290.18680	0.6
291.19598	1.0
297.20660	2.3
305.17648	2.8
307.19168	100.0
308.19522	3.5
309.20663	1.5
319.19296	0.9
321.20798	0.7
325.20218	42.5
326.20535	1.2
327.21960	2.5
335.22174	0.6
345.20602	0.7
347.22198	0.6
363.21921	0.9
379.24948	0.6
407.19141	1.2
443.27808	0.8
474.21106	1.8
525.27423	3.6
541.26678	1.9
543.28137	28.2
544.28339	1.3
561.29340	6.2
599.30762	0.7
629.32184	0.9
693.38519	1.0
697.38147	4.0
709.38141	1.9
711.39594	0.8
715.38611	1.0
723.39655	1.3
727.39478	1.7
735.39325	0.8
737.41254	0.9
753.40552	1.6
755.42218	0.7
764.40295	2.3
782.40869	3.6
800.42542	0.8
815.44373	0.9
833.46826	9.7
851.48102	10.9
852.47577	0.6
869.48810	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	869.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	55.9
71.01389	9.5
71.03094	5.6
96.96024	100.0
116.92871	15.6
125.09772	6.2
127.07650	10.6
138.23453	3.4
153.09221	4.8
171.10287	15.8
185.11855	4.4
197.11876	27.3
201.11270	4.3
209.11903	25.0
215.12897	4.4
227.12842	9.6
229.14429	17.8
253.09358	9.8
289.18057	9.5
307.19098	27.0
309.20230	5.1
325.20264	10.0
543.28027	8.1
578.29431	4.1
753.40839	4.9
833.48175	5.7
850.15039	5.0
869.49249	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	869.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	49.9
69.36208	2.7
71.01389	15.6
71.05017	3.5
71.41121	3.2
73.02956	6.8
82.95413	6.3
83.05064	4.7
85.02991	4.5
89.02449	8.1
95.05042	3.9
96.96027	19.4
97.06541	3.3
101.02448	11.9
109.06590	3.1
112.98540	5.0
113.02468	8.1
116.92876	9.0
121.03030	3.0
125.09724	4.9
127.07656	10.8
134.26720	2.9
135.08192	3.3
145.05025	3.0
151.07579	3.0
153.09245	15.9
153.12843	13.6
154.92926	3.1
155.10783	4.4
161.04582	5.4
163.11298	5.4
171.10286	31.5
181.12366	4.1
183.13956	6.2
185.11832	8.5
187.22234	3.4
191.14485	4.3
197.11862	32.9
199.13451	13.3
207.10222	3.1
209.09888	3.2
209.11864	66.1
211.13298	5.5
215.12909	21.0
225.11182	3.9
227.12930	27.2
229.14467	58.3
235.08273	7.9
238.12112	3.5
245.19078	9.6
253.09259	21.7
263.20035	3.0
289.18240	19.7
291.19632	5.0
297.20856	8.9
305.17596	10.4
307.19183	100.0
309.20667	5.6
325.20169	35.1
327.21732	5.2
416.96048	3.1
433.20743	8.0
459.35046	3.1
463.21594	4.5
477.17877	3.3
525.26898	3.3
543.28033	20.8
570.32965	3.4
735.39557	5.3
753.40692	10.2
755.41620	6.0
771.41577	4.8
777.35309	3.1
808.60223	3.5
833.45831	3.9
869.48523	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	869.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64582	6.5
61.98838	86.8
64.09104	7.3
69.26311	16.4
69.26718	25.3
71.01394	16.2
80.44712	7.3
81.03464	8.1
82.95415	15.0
83.05045	11.0
85.00450	10.9
89.02487	10.4
95.05039	7.5
96.96011	18.8
101.02476	14.4
116.92879	27.9
156.99469	7.3
158.96109	7.2
163.11258	12.2
165.12721	8.4
171.10280	83.4
178.10056	7.1
185.11844	15.4
191.10825	8.0
197.11829	16.3
201.11230	10.7
209.11819	100.0
224.28015	7.2
235.08197	9.7
253.09280	23.6
289.18146	12.1
289.82703	7.3
291.19675	44.2
305.17566	17.9
307.19171	93.8
309.20648	54.0
312.12808	7.5
325.20255	19.7
327.21823	8.4
541.26483	9.0
543.27911	21.7
833.46844	12.1
851.46967	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	869.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	91.4
71.01382	21.2
72.41469	4.6
73.02954	6.5
85.02958	10.6
89.02435	14.8
95.05043	11.6
96.61520	4.9
96.96026	11.3
97.06610	10.9
101.02449	13.2
107.04977	6.1
111.08161	9.1
113.02467	6.5
115.57767	5.1
116.92897	24.9
119.03484	4.8
125.06078	21.2
125.09751	5.9
130.34692	5.7
132.41014	5.0
139.07616	11.5
141.09259	5.4
143.07130	5.3
153.09235	7.6
155.10785	4.7
169.08723	25.6
171.10284	75.8
181.12408	5.7
185.11813	14.2
197.10062	4.3
197.11772	35.7
199.13435	9.4
201.09531	6.0
201.11348	82.3
207.10283	6.4
209.11845	52.7
211.13345	8.3
225.11427	7.6
225.15009	6.8
227.12871	11.7
229.14510	7.2
229.50578	7.0
235.08167	13.3
247.20737	9.5
253.09239	46.3
253.88020	5.5
263.20349	7.2
285.93405	5.3
287.16498	6.5
289.18051	17.1
291.19769	44.5
305.17496	25.9
307.19138	50.8
309.20715	100.0
325.20203	17.7
336.05469	5.1
341.23462	38.6
543.28125	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	869.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	36.3
68.59758	3.6
70.94178	5.4
71.01394	13.7
75.65434	3.9
76.84511	3.6
83.05019	4.6
84.15337	5.2
85.02907	5.0
89.02467	9.6
95.05046	6.7
96.96014	24.7
97.06618	11.0
101.02456	7.9
103.01520	5.1
107.05035	4.4
111.01006	3.9
113.02498	5.1
116.92857	19.5
119.03609	3.5
125.06110	21.8
125.09741	9.3
127.11283	6.8
139.07709	6.9
141.09270	5.5
153.09218	9.0
155.10802	3.8
155.30217	4.5
163.11317	10.8
165.09235	4.5
165.12881	4.5
169.08701	38.5
171.10269	89.3
181.12303	4.3
185.11920	6.2
193.12418	4.1
197.11876	11.4
201.11334	93.9
207.10323	6.0
209.11844	33.3
225.11282	5.7
235.08325	9.7
247.20599	4.6
253.09352	39.5
289.18109	10.2
291.19669	75.4
292.20035	5.0
305.17581	12.9
307.19159	37.9
309.20740	100.0
325.19943	18.7
341.23322	23.1
418.01144	4.2
484.14743	4.8
543.28448	7.4
678.48547	4.6
833.47137	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	869.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	1.4
69.03450	0.9
69.92902	0.2
83.05022	0.7
84.02182	2.6
85.02952	0.4
85.18906	0.2
97.02955	0.6
97.06600	6.7
99.04532	1.0
99.40661	0.2
108.00995	0.2
117.22919	0.2
119.08686	0.4
125.09727	1.3
127.11330	0.2
135.08223	0.5
137.09753	0.3
149.13379	0.4
151.11337	0.3
165.12874	1.0
171.10283	9.2
175.11272	0.5
177.12787	0.4
183.13908	0.4
185.11998	0.5
191.10834	0.3
193.12343	9.6
193.25023	0.3
194.12619	0.3
197.11914	0.4
197.15454	0.6
203.10896	0.3
209.11798	0.9
211.13429	2.3
221.11887	0.8
225.14973	16.0
243.16042	6.9
247.20648	0.3
253.09271	0.5
253.14447	0.9
273.18484	0.5
291.19705	3.6
305.17654	0.4
341.23340	100.0
342.23557	3.0
450.61417	0.2
858.47882	0.3
902.96149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.45
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.9
65.82139	1.1
71.01392	36.1
71.42628	1.3
73.02954	11.8
74.50183	1.2
83.01392	6.9
85.02956	17.1
87.00883	2.5
89.02464	9.6
95.01397	3.7
99.00893	5.3
101.02459	30.3
106.14632	1.1
110.27654	1.2
111.00887	2.6
113.02465	13.8
119.03538	3.0
124.50322	1.3
125.02465	2.7
129.01964	1.5
138.88919	1.3
143.03471	1.8
160.04050	3.8
161.04550	4.4
209.11877	2.9
227.44670	1.3
255.02945	1.5
443.31723	1.8
461.32809	8.7
503.33969	2.6
605.36981	5.0
623.37787	5.7
665.39087	23.5
666.38849	1.9
702.30646	1.4
767.42157	13.5
768.41724	2.2
785.43530	6.9
827.44482	100.0
828.44543	7.0
875.05719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	0.7
65.00316	0.6
66.54938	0.4
67.68255	0.5
68.67957	0.5
69.09344	1.7
69.09753	1.6
71.01366	1.4
85.02930	0.9
89.02382	0.5
101.02453	0.7
107.01363	1.6
108.02203	0.6
109.02934	0.8
113.02482	0.5
114.05582	1.8
122.90040	0.5
124.44875	0.5
133.02934	0.9
137.72205	0.6
145.02945	0.6
147.00859	0.8
150.03175	0.4
151.00371	4.5
156.06636	1.4
157.02957	0.6
160.01572	0.5
161.02367	0.5
164.01201	0.5
165.05724	0.6
171.04536	0.9
175.03978	1.0
178.99852	1.9
187.04022	0.9
191.05632	0.5
199.04021	3.4
201.01849	0.8
215.03532	1.9
226.02774	0.9
227.03500	3.4
243.03003	6.3
254.02032	0.6
255.03020	6.6
271.02499	74.3
272.02942	2.3
299.01993	100.0
300.02744	39.3
301.03406	5.3
313.03564	0.5
461.07294	1.4
462.08139	12.9
501.15421	1.1
504.09311	0.7
667.15228	2.3
709.16211	60.6
710.16992	2.7
871.21356	16.0
872.22388	1.7
886.68201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	31.6
71.01394	5.3
100.96970	3.6
101.02457	4.2
119.03654	4.1
125.09693	5.6
140.36214	3.3
165.12814	4.1
171.10275	5.3
185.11865	12.1
191.14479	5.7
209.11893	6.1
245.19098	9.8
252.38739	3.8
253.09293	15.9
289.18143	55.6
291.19702	67.6
305.17548	8.7
307.19153	65.1
309.20731	100.0
342.92993	3.9
379.35712	5.6
439.34799	4.7
525.26990	4.8
549.06622	3.8
578.43652	3.9
655.56952	3.8
817.46753	7.7
835.47900	8.5
848.37036	4.2
871.44434	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	871.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	19.5
71.01377	9.9
73.02952	3.0
80.02673	1.8
82.95425	4.0
83.05043	5.2
85.00381	1.7
85.02941	3.6
89.02451	7.7
96.96016	9.0
97.06603	2.5
99.08199	2.3
99.92622	2.4
101.02450	8.2
103.00407	4.5
103.01507	100.0
112.05289	2.5
113.02442	3.7
113.23036	1.6
115.07677	3.2
116.92857	12.0
119.03544	2.5
123.08174	2.7
125.09739	5.7
127.11292	2.2
129.09192	10.2
141.09244	5.0
153.09242	9.4
155.10788	13.4
161.04591	3.8
163.11267	4.4
165.12805	2.8
171.10284	36.0
178.09894	2.2
184.72913	1.7
184.74811	1.6
185.11836	26.2
197.11844	27.5
207.10246	2.8
209.11833	43.5
210.12213	2.1
211.13487	2.0
227.12956	2.1
229.14432	2.2
235.08244	5.5
245.19194	2.2
253.09285	13.5
263.20187	2.5
289.18271	9.9
290.83441	1.9
291.19742	15.3
297.20593	2.1
306.18045	1.8
307.19147	50.7
308.19479	3.2
309.20743	30.9
325.20282	21.2
327.21756	58.0
329.23651	3.3
333.24402	2.1
370.09195	2.0
439.89642	1.8
444.58826	2.0
543.28516	13.0
545.29498	5.1
549.99042	2.2
561.28839	3.1
563.30524	2.9
675.22906	2.0
763.62335	1.9
810.01550	2.1
835.47894	4.1
853.50232	10.8
871.51520	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	872.448
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.5
67.86156	0.2
79.95749	8.3
80.96507	0.7
83.01360	0.2
83.05031	0.3
91.48489	0.2
95.95245	2.4
96.96020	4.3
101.02414	0.3
134.03745	0.2
150.06999	0.2
163.00778	0.5
174.37683	0.2
188.61983	0.2
323.73141	0.2
378.17523	1.8
404.18936	0.2
406.20584	100.0
407.20895	4.8
582.49652	0.2
646.88928	0.2
688.12152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	24.1
71.01384	14.3
71.44814	4.1
73.02940	5.0
83.01392	3.9
89.02446	15.4
97.03061	2.5
101.02450	13.1
106.35075	3.1
113.02465	7.4
119.03497	4.0
125.02528	4.0
150.55446	3.0
161.04602	3.5
169.12321	5.8
171.10291	100.0
172.10555	2.9
217.51230	3.2
235.08202	4.6
253.09395	4.0
277.21768	62.3
278.21967	5.0
288.32004	2.8
289.18100	3.4
307.19284	2.9
309.20807	5.6
310.21179	2.9
343.88751	2.9
379.12561	14.4
397.13498	40.9
415.14694	6.3
872.47595	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	872.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
96.73639	0.3
207.49355	0.3
219.61688	0.3
243.63077	0.4
244.04517	0.3
250.42081	0.3
258.68857	0.3
494.12497	0.3
630.15277	0.4
674.62830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90317	5.3
61.98812	25.0
64.51443	5.7
66.68860	5.2
71.01392	11.5
75.81467	5.8
81.03500	9.0
82.95420	18.4
83.05009	15.8
85.00458	16.6
96.95988	16.2
97.06582	11.3
97.73132	5.9
98.21862	11.9
99.00875	8.2
99.92580	7.2
101.02472	16.4
101.32012	5.8
107.05047	10.2
107.64366	6.4
109.06577	7.8
113.02449	8.4
116.92864	83.3
125.09760	8.6
135.08186	19.2
153.09225	10.8
161.04500	7.0
163.07651	6.4
177.05597	6.9
181.08698	25.2
185.11922	7.6
194.35339	6.4
197.11806	22.5
207.10222	15.5
209.11832	100.0
225.11209	8.0
233.15514	10.4
235.08229	12.9
251.12875	6.3
253.09373	23.9
259.13547	16.9
277.14438	45.8
277.17618	14.7
287.16547	12.8
293.13980	11.2
295.15582	9.0
305.17624	98.3
323.18576	23.1
345.86911	7.7
487.21991	6.8
513.22888	7.8
541.26556	76.4
559.27441	22.7
581.25842	7.3
677.31219	8.3
705.35040	12.8
721.34637	10.4
723.35962	9.0
729.37958	7.8
739.35516	23.6
750.34686	14.5
768.35858	37.1
801.40887	65.1
805.99170	6.8
819.41827	50.8
837.43109	25.4
873.39911	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	57.2
62.85238	7.7
71.44408	10.8
86.14553	9.1
89.02475	9.0
99.34060	9.0
101.02461	12.4
113.02441	10.6
116.92874	19.4
146.24435	9.5
161.19870	8.4
161.68343	8.3
171.10316	38.7
195.38873	9.1
197.83385	9.3
253.09387	15.0
277.21695	17.5
278.22186	9.4
289.18073	11.1
291.19659	41.3
295.22855	17.8
309.20764	100.0
314.73502	10.0
348.74509	10.0
397.13654	19.4
398.13904	9.7
432.42126	10.3
496.30988	9.8
545.29773	16.4
819.49207	23.1
837.49908	30.4
872.90399	10.1
873.46698	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	9.0
66.26864	1.3
71.01392	2.7
101.02445	2.5
113.02442	1.7
116.92828	2.1
119.68785	1.3
120.19996	1.2
122.96573	1.5
165.12846	1.8
171.10266	2.0
185.11842	1.3
211.13435	1.6
235.08298	2.7
247.20660	3.2
253.09251	5.1
289.18079	5.3
291.19693	36.5
292.20126	2.2
307.19119	6.1
308.19601	2.2
309.20749	100.0
310.21161	4.8
311.21579	1.5
349.20151	1.6
468.90567	1.3
527.28430	4.4
545.29742	19.5
819.48438	4.1
837.50012	14.6
838.51312	1.9
873.47827	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	873.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	16.8
69.89542	3.4
98.22708	5.5
101.02457	3.4
116.92881	21.4
161.04411	3.7
179.10921	3.6
197.11833	9.9
208.51637	3.4
209.11916	9.5
229.03908	3.5
231.01724	3.9
235.08223	6.6
253.09282	9.4
289.18002	3.9
291.19693	25.3
293.21271	9.7
305.17566	8.4
306.17853	4.0
307.18954	4.7
309.20712	100.0
310.21152	6.9
503.36456	3.7
505.87289	3.6
543.28265	4.1
545.29718	14.8
712.90912	4.3
817.48016	8.2
819.48029	8.1
837.50067	7.1
873.47760	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	10.4
71.01375	3.3
89.02436	2.4
96.96076	1.4
98.21817	3.2
101.02441	3.4
107.62050	1.4
108.79575	1.8
116.92876	5.6
162.80635	1.6
191.53271	1.7
209.11778	1.7
235.08253	4.5
247.20674	3.3
253.09332	5.9
255.16135	2.4
265.21710	1.9
289.18228	3.7
291.19720	25.0
293.21149	1.7
307.19043	6.7
309.20752	100.0
310.21075	7.0
311.22073	2.2
363.25861	1.5
369.16071	1.6
455.35736	1.8
527.28595	4.6
545.29724	30.9
546.30096	2.8
689.41327	2.0
695.39453	2.4
708.23700	1.7
819.48346	5.7
837.49921	23.4
838.50812	2.8
873.47693	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	873.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	5.6
63.08740	3.1
69.15856	21.7
70.80850	3.0
71.01386	89.4
73.02950	24.9
75.00909	3.6
79.86196	3.3
83.01405	15.9
85.02956	49.7
87.00898	10.4
89.02451	22.3
95.01405	9.6
96.96041	10.3
97.02960	5.7
98.21841	5.9
99.00901	14.8
100.89696	3.8
101.02457	63.4
111.00879	6.1
113.02452	38.4
119.03532	6.3
125.02468	13.2
132.04477	3.4
143.03539	10.8
161.04604	17.3
163.56314	3.7
179.64145	3.0
190.61879	3.2
226.50693	3.5
227.57097	3.4
344.93243	3.9
591.39178	6.5
609.39838	23.6
625.39832	11.9
651.41125	13.1
738.89221	3.7
753.44330	100.0
754.44257	12.3
771.45465	50.5
813.46570	42.5
814.47302	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	875.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	1.1
67.01900	3.1
69.03451	0.9
69.85590	0.2
70.92005	0.2
71.01379	1.2
72.73507	0.2
72.82593	0.2
81.03448	0.8
83.05018	0.6
85.02956	4.1
87.00880	4.6
93.03466	20.2
94.03796	0.4
99.00868	0.3
99.04510	0.7
101.02443	0.3
109.02953	0.6
111.04533	3.2
113.02445	0.4
115.84515	0.2
119.05035	5.7
127.04052	1.1
129.01952	0.8
134.03735	0.6
137.02477	0.5
143.03531	0.2
145.02950	1.2
151.71002	0.2
155.03517	0.8
163.04027	6.2
163.05389	0.4
171.02975	0.4
173.04568	9.1
178.02707	0.2
191.05626	100.0
192.05989	1.3
193.05106	1.0
337.09311	40.8
338.09622	0.9
447.07040	0.2
537.25922	0.3
693.65741	0.2
712.85101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	45.2
62.39835	7.6
63.82583	7.6
71.01391	24.0
78.37054	7.3
79.74800	8.4
82.94158	7.7
83.05037	11.3
85.00452	11.8
87.00891	8.5
88.57727	7.2
88.98822	11.8
89.02447	17.2
95.05031	16.3
96.96026	40.8
97.02942	9.6
97.06620	10.3
101.02460	16.5
103.01501	93.2
113.02532	9.4
116.92870	40.1
125.06068	9.9
125.09756	19.2
130.97873	8.4
135.08159	10.3
136.76634	8.3
137.59689	8.6
151.07657	11.0
153.09229	18.9
163.11327	12.8
169.08723	21.0
171.10239	16.6
181.08673	15.6
185.11790	13.6
187.11203	7.9
191.14430	16.2
199.09785	14.5
200.48457	7.5
201.11278	8.8
209.11842	42.9
214.05502	8.0
225.11382	22.7
233.15469	13.0
245.19110	13.1
253.09331	35.0
259.13351	28.7
267.81671	7.5
277.14520	48.3
279.16019	11.7
289.18103	100.0
305.17609	33.5
307.19220	94.5
463.21844	8.7
525.27173	10.0
541.26422	17.1
543.27820	16.2
695.96204	8.2
723.36035	13.5
741.37347	11.5
752.36969	23.7
822.42676	9.9
875.42279	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	875.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	12.9
70.91148	4.6
71.01395	10.8
72.33411	5.0
74.21159	3.8
83.05020	12.9
88.98829	9.1
89.02454	10.9
95.05041	3.7
96.18715	3.8
97.06583	5.1
101.02429	10.6
103.01517	6.3
113.02509	3.6
116.92879	4.8
117.07044	4.0
125.09711	5.2
135.08170	12.5
139.07718	4.0
153.09227	22.1
163.07657	7.1
163.11331	4.6
171.10338	21.9
179.07161	8.5
181.08713	31.1
185.11748	9.6
190.67424	4.3
197.11829	10.6
209.11844	59.3
215.14447	5.4
233.15588	6.0
235.08205	11.6
238.12219	5.9
253.09262	26.7
259.13409	16.8
277.14493	65.1
279.15942	7.6
289.18094	20.6
295.15387	12.5
305.17563	7.0
307.19165	100.0
322.12506	3.9
325.20264	49.6
343.15131	3.8
368.08884	4.1
372.17358	3.7
378.48679	4.0
407.19229	4.1
513.23541	11.3
525.27045	5.1
541.26605	5.6
543.01544	4.3
543.28088	67.9
561.29211	13.3
695.36615	5.2
707.36292	6.5
741.36725	17.9
752.36395	12.9
770.37488	21.1
803.42212	40.5
821.43469	58.4
839.44604	28.7
875.42407	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	875.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	68.5
63.15131	12.6
70.07697	13.3
70.08028	26.3
71.01392	27.8
71.59300	11.1
73.02962	11.5
82.95434	16.2
85.00424	23.1
88.33070	12.0
89.02452	19.3
96.19038	10.5
96.96017	21.8
97.06613	33.7
101.02444	16.7
103.01578	14.2
103.28237	11.7
107.05040	12.5
116.92856	32.7
125.06072	15.3
125.09875	15.5
139.07695	27.4
143.07201	40.5
151.07671	39.9
155.10814	10.9
169.08649	19.8
171.10262	70.3
181.12343	13.6
185.11838	14.6
185.34486	11.5
201.11320	100.0
209.11852	64.1
225.11266	14.9
244.42012	11.4
253.09384	61.4
261.14957	31.7
279.15961	36.0
289.18051	31.5
305.17581	55.8
307.19272	97.7
325.20340	33.8
391.92831	13.3
541.26117	16.8
543.28094	35.6
821.42883	14.4
875.43829	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	877.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	14.1
62.81655	5.1
65.12059	4.0
67.28134	4.0
70.23238	3.9
71.01389	20.1
76.10593	4.8
78.60551	4.7
85.00439	5.5
85.52133	4.9
88.98815	10.1
89.02474	11.3
95.05014	4.9
96.95978	6.7
97.06619	6.4
98.22697	11.2
99.00841	4.8
101.02460	11.1
103.01457	6.1
105.79988	5.1
107.05045	6.1
113.02499	5.1
116.92845	15.5
125.06087	12.2
125.09701	7.4
128.67024	4.5
135.08183	5.6
137.09651	4.5
141.09302	8.0
153.09233	11.8
163.11345	13.4
165.09261	5.7
165.12822	15.9
169.08749	37.0
171.10255	21.2
185.11882	13.0
197.11848	21.2
199.09775	4.6
201.11398	12.6
207.10333	15.7
209.11858	100.0
225.11342	16.4
235.08315	8.7
253.09247	34.8
263.16504	28.9
277.18021	5.8
279.15918	6.5
281.17624	93.6
287.16537	14.0
291.19669	5.6
295.19135	5.1
305.17584	94.1
307.19055	14.7
309.20734	8.9
323.18518	16.2
433.65857	5.5
541.26843	32.1
555.51465	4.6
725.38232	13.9
754.37030	22.5
805.43536	13.0
824.44318	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	877.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	9.7
68.69233	4.5
69.67246	3.7
71.01382	8.0
71.40024	5.2
83.05032	8.8
88.98824	8.3
89.02419	4.6
92.92839	5.0
96.96024	7.6
97.06590	8.5
97.83335	4.5
99.92557	5.0
107.59518	4.0
116.92861	29.9
125.06100	9.2
127.07619	4.9
135.08162	12.1
139.07503	5.3
143.07150	5.8
153.09267	5.9
153.53909	4.3
165.09326	4.3
169.08710	18.1
171.10297	8.9
181.08728	19.4
190.56473	4.6
197.11856	8.1
209.11864	11.0
235.08255	7.2
253.09370	20.9
259.13367	7.2
277.14481	29.3
291.19717	59.8
305.17438	5.6
309.20770	100.0
455.20099	5.0
617.98553	4.8
725.37946	6.1
754.37323	12.0
877.61908	5.3
884.72913	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	877.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.7
69.03462	4.4
69.50617	6.7
71.01376	13.7
76.93748	2.2
87.00853	3.0
89.02438	8.7
101.02442	9.2
113.02489	4.6
117.23669	2.2
119.03494	2.6
125.02407	2.1
161.09676	2.5
179.10799	2.9
197.11852	35.5
210.38536	1.8
255.23306	42.7
298.26498	2.5
397.13373	3.7
877.48157	100.0
878.48212	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	878.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19396	1.6
98.21879	0.5
169.06601	6.8
197.06084	100.0
198.06395	3.3
200.46298	0.3
207.29498	0.3
224.04767	0.5
255.12651	97.6
256.12961	4.3
270.14999	45.8
271.15338	1.9
310.10941	1.2
314.13986	86.8
315.14316	3.9
325.13287	1.3
327.12341	1.4
340.15509	2.1
347.10297	0.3
358.12933	1.4
375.14450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	12.3
68.21514	2.0
69.51144	11.4
71.01383	5.0
78.95919	8.6
89.02422	2.4
96.96008	2.5
101.02401	2.8
105.93518	2.3
107.85938	2.3
115.00660	2.3
116.92834	4.6
117.03503	3.9
121.03046	3.0
121.30567	2.6
129.22466	2.4
151.00420	3.3
171.00594	3.6
183.04495	3.0
207.10197	2.5
227.03532	24.3
255.03012	70.3
256.03702	7.0
283.02515	66.6
284.03284	30.0
285.04108	14.7
381.06107	7.2
542.10291	2.9
543.03046	5.3
543.11450	100.0
544.11780	5.5
620.13916	3.8
699.15454	10.9
818.76752	2.9
879.21552	6.4
884.97070	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	879.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
65.68175	15.7
71.39841	22.2
89.44330	21.9
97.16765	14.9
124.81551	18.9
153.59685	15.9
261.15042	25.0
262.82578	17.6
274.37067	19.1
281.17270	18.0
289.17908	32.6
291.19730	25.3
307.19434	19.6
309.20624	46.1
465.92084	24.0
843.42139	32.0
879.41644	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.3
71.01371	1.9
81.77577	0.7
82.95430	5.7
84.00912	2.2
84.95124	11.9
85.00443	100.0
86.33305	0.7
98.21819	1.6
107.80251	0.9
119.78701	0.7
155.70146	0.7
171.10330	1.6
225.11467	1.2
255.23288	1.8
291.19644	0.7
301.31982	0.8
397.13934	1.0
810.70367	0.9
879.49951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	8.9
70.56937	3.6
71.01389	14.4
71.05013	4.2
85.00426	3.7
85.02980	4.5
87.00894	2.4
88.95828	2.0
89.02460	9.8
97.02951	4.0
97.06588	2.8
98.97541	1.9
99.00892	19.1
101.02442	8.7
101.78105	2.0
105.62125	2.1
113.02451	4.7
119.03494	2.5
125.09712	6.5
163.11343	6.7
171.10281	7.4
181.12369	14.1
197.32185	2.0
199.13383	6.3
207.10265	22.3
225.11348	29.1
243.12410	9.8
243.87762	2.3
255.23308	39.3
279.14880	2.2
397.13428	7.3
879.49664	100.0
880.49487	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	882.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.91018	0.8
82.74248	0.4
83.08728	0.4
94.63428	0.4
103.01530	1.0
110.71827	0.4
116.39634	0.4
122.19022	0.4
146.92188	0.4
170.08789	0.4
238.27478	0.5
258.03165	0.4
277.21906	0.6
387.86343	0.5
482.11523	0.5
641.82953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.4
62.57774	0.7
63.02402	1.1
65.00352	1.0
68.59171	0.7
71.01382	1.8
83.01392	0.9
85.02955	1.7
89.02458	1.1
94.56100	0.9
96.96073	1.1
107.01393	1.9
113.02488	0.9
113.53152	0.9
117.03471	2.5
121.02977	8.5
133.02936	0.9
151.00392	4.3
155.05080	0.9
159.04527	2.0
162.46135	0.7
167.05162	0.8
169.01385	0.8
175.03999	0.8
182.03738	1.3
183.04550	6.7
185.02501	1.1
191.05597	0.7
193.05008	0.7
211.03900	4.1
227.03488	5.0
255.03003	61.6
256.03412	2.5
283.02512	100.0
284.03058	7.4
285.04044	12.3
489.09930	1.0
513.10474	2.2
514.10925	5.1
515.12018	10.2
531.11407	14.0
573.12384	1.1
636.14899	34.3
637.15503	2.4
701.16986	1.6
761.19202	8.4
883.23151	15.5
884.24377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	5.0
65.03365	1.3
71.01385	11.9
71.05018	2.9
73.02932	1.8
81.03478	1.5
83.01437	1.4
83.05065	2.9
85.00431	1.8
85.02940	5.1
87.00880	6.8
88.98792	1.8
89.02438	8.0
93.03427	2.1
96.95979	1.8
97.02957	3.8
97.06606	2.9
99.00891	18.5
101.02444	9.8
109.06598	1.6
110.03718	1.3
111.00866	1.8
111.04473	1.6
113.02444	5.6
119.03472	1.8
119.05065	1.6
121.02957	2.2
125.02457	2.0
125.09763	6.6
130.99878	2.6
137.47600	1.2
143.03528	1.2
160.04121	1.7
161.04527	1.9
163.11308	12.7
165.05586	2.0
165.12857	1.6
180.04221	1.3
181.05104	2.0
181.12372	17.3
191.05637	10.5
195.06569	2.0
197.11938	1.3
199.13440	10.2
207.10274	30.2
208.90021	1.3
209.11841	36.3
215.07115	3.5
221.06610	2.3
225.11339	38.7
227.12912	1.4
243.12369	23.7
254.04250	4.0
323.79245	1.4
338.00137	1.4
397.13931	1.6
641.26672	2.0
851.39240	100.0
852.40076	6.9
883.42670	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	883.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	22.1
71.01382	10.8
73.02950	6.4
77.49231	5.2
83.05055	6.4
89.02450	10.0
96.96027	14.7
101.02433	12.0
109.06597	10.2
111.46748	5.5
113.02464	7.4
123.04615	6.0
125.09699	13.9
135.08147	7.3
163.11272	10.0
177.05486	7.1
181.28523	6.0
185.11882	12.9
197.11850	11.2
207.10330	26.9
209.11800	35.9
217.21175	5.1
225.11311	20.1
243.17610	6.5
253.09293	8.8
277.18094	5.1
277.21786	16.4
287.16617	30.4
289.18048	6.6
303.16138	11.3
305.17575	100.0
307.19049	6.5
309.20813	10.1
312.30188	5.6
315.67953	6.4
321.17288	6.9
359.22205	6.3
397.13519	12.1
541.26947	7.1
705.35406	11.9
721.38354	7.3
749.37451	14.5
778.37671	11.3
811.42297	8.9
829.44092	50.7
847.45074	32.2
883.44574	21.0
901.96185	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	883.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	87.7
71.01382	47.3
89.02438	33.5
96.95975	24.5
101.02448	19.2
104.97003	15.7
106.00562	14.3
109.06627	34.3
113.02430	24.7
115.69123	17.3
125.09711	53.6
126.82603	17.0
142.39337	13.7
185.11786	22.8
207.10284	100.0
209.11823	42.6
219.94991	17.3
225.11336	81.3
277.21790	80.6
305.17578	41.2
397.13394	22.3
547.50714	16.3
605.24622	20.1
719.97919	18.1
721.37170	31.2
724.40076	18.8
829.43713	51.1
847.45520	78.5
883.46460	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.01391	21.8
73.02964	14.0
73.75597	5.6
83.05023	8.5
85.00457	6.7
89.02466	13.4
95.05056	11.5
96.95996	15.3
97.06611	9.9
98.03823	5.6
101.02441	19.3
113.02448	7.5
113.06118	5.9
124.91827	5.6
125.09724	25.7
127.07774	6.9
139.07678	19.2
151.07632	12.7
153.09222	20.6
155.10789	7.6
163.11357	6.0
165.12907	6.9
171.10295	59.1
177.05542	43.0
178.10075	7.7
185.11847	22.0
197.11809	20.0
199.09715	52.4
201.11351	47.1
207.10255	9.8
209.11823	73.9
215.12828	7.1
225.11301	7.4
253.09299	27.0
277.17981	13.3
285.14798	10.8
289.18005	15.7
303.15964	24.8
305.17599	48.4
307.19287	37.1
321.17111	26.5
323.18573	9.5
325.20145	19.8
337.07822	7.3
341.23349	13.1
435.18793	7.8
446.31949	7.4
492.45630	7.5
541.26306	11.8
543.28082	9.5
557.25934	17.9
695.36633	8.0
707.36658	17.6
725.37598	27.6
743.38580	14.6
758.62585	6.2
847.45001	6.8
865.46747	20.4
869.54218	7.3
883.47845	13.2
909.07898	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	883.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	15.5
69.76523	3.2
71.01390	28.0
73.02950	4.1
79.37560	1.6
80.02753	1.5
81.03448	4.3
83.01379	3.0
83.05038	2.1
85.02962	4.0
87.00868	6.6
89.02450	22.6
95.01401	2.3
97.02952	13.0
98.22000	1.8
99.00885	4.3
101.01807	2.0
101.02458	20.7
109.06604	34.0
110.03783	2.6
113.02481	7.5
116.92888	1.5
119.03499	4.9
121.06608	3.6
123.04503	2.0
125.02435	7.7
135.08144	3.2
136.05270	2.2
143.03494	4.0
158.69769	1.5
161.04559	4.1
161.09764	3.6
163.11293	20.4
179.05620	4.1
181.12390	4.8
189.09161	3.0
207.10286	100.0
208.10593	2.8
209.11815	4.7
221.06715	3.0
225.11339	35.7
235.08257	6.5
243.12367	1.7
249.24472	1.5
253.09195	3.3
277.21750	71.7
278.22311	1.7
289.17670	1.4
352.91766	1.6
379.12350	6.1
397.13544	48.5
415.14606	11.5
519.70679	1.8
605.24500	3.9
623.25739	5.2
675.37836	1.8
883.47150	54.0
884.47607	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	883.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	16.1
69.03439	2.0
69.11864	10.1
71.01385	22.2
73.02930	4.4
77.68443	1.2
81.03461	2.6
83.01382	2.3
85.02943	5.9
87.00873	6.4
89.02443	18.7
89.05524	1.3
95.01401	2.7
97.02956	9.2
99.00865	3.7
101.02453	18.4
109.06594	34.7
110.03756	3.6
113.02437	8.3
114.70741	1.3
119.03472	4.7
121.06591	2.0
125.02433	6.0
125.09711	1.5
135.08162	6.1
136.05280	2.8
143.03447	2.2
145.10237	1.7
154.22505	1.4
161.04599	3.7
161.09673	2.2
163.11314	21.5
179.05661	4.9
181.12373	4.8
185.89240	1.7
189.09161	4.2
207.10275	100.0
208.10521	1.9
209.11856	4.9
221.06670	2.5
225.11336	48.1
226.11436	2.1
235.08253	6.2
241.04095	1.5
243.12416	2.2
253.09378	2.9
259.08276	1.5
265.58157	1.5
277.21725	54.7
278.22079	1.8
299.15024	2.1
307.63718	1.4
326.72003	1.5
379.12457	6.2
397.13556	38.8
397.18747	1.9
398.13904	1.5
415.14520	13.7
419.53235	1.6
514.23712	1.4
587.23718	2.0
605.24707	8.6
623.25604	9.3
630.38531	1.7
839.53693	1.5
850.00928	1.4
865.44720	2.2
867.50458	1.7
883.29773	2.9
883.47040	53.5
884.46973	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	883.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	28.9
69.76340	10.6
71.01391	13.0
72.99320	3.8
73.02956	4.2
83.05047	4.0
85.02982	4.4
89.02460	4.6
96.96028	4.2
97.06593	16.1
101.02477	7.5
113.02483	3.1
116.92886	5.9
121.06685	2.3
125.06107	13.2
125.09769	3.6
127.07675	3.4
143.07161	45.1
146.45674	2.5
151.07632	2.9
151.11290	21.6
153.09247	2.7
163.11279	3.8
169.12364	100.0
171.10327	7.2
178.10078	3.3
185.11844	9.2
197.11868	11.8
207.10321	2.9
209.11867	34.3
212.85811	2.5
213.11339	12.9
253.09352	6.9
289.18057	5.5
307.19135	21.4
445.26669	2.6
449.20288	3.6
474.55365	2.8
474.86774	2.6
542.97058	2.7
586.90936	2.7
739.38733	9.5
757.40228	87.3
758.40265	8.9
818.77563	3.0
883.47211	65.1
884.47809	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	884.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
66.68703	0.2
80.45745	0.2
98.21893	0.6
106.04790	0.2
116.92879	0.4
447.34100	0.2
488.90582	0.3
491.35147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.01368	8.8
87.00867	8.3
89.02464	12.7
96.96006	25.0
101.02466	7.6
112.90186	6.8
125.09874	7.6
153.09207	9.1
156.27550	6.8
159.29614	7.5
163.11299	9.6
197.11790	16.1
209.11868	63.8
235.08195	7.9
245.19260	11.4
253.09161	16.7
287.16537	9.5
289.18124	84.1
305.17587	65.5
307.19189	58.3
323.18698	24.0
486.74890	7.4
523.25781	8.1
541.26709	34.0
751.39459	19.5
776.58844	8.4
813.44318	22.5
831.45612	71.2
849.46558	32.7
885.44141	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	19.3
62.34649	4.2
69.87091	5.1
69.87434	9.5
71.01379	14.0
79.93314	3.7
81.03458	6.2
81.97752	3.5
82.93459	3.5
83.05041	8.7
85.02970	3.8
89.02448	7.6
96.96021	8.0
97.02927	5.1
97.06619	5.0
99.00897	4.2
101.02450	12.0
102.65771	4.3
107.05032	5.3
113.02484	6.4
116.92822	5.0
118.23880	4.2
123.04547	5.5
125.05982	4.6
125.09718	18.5
135.08194	9.2
137.09669	4.9
153.09204	9.8
161.04626	6.6
163.11320	25.0
165.12883	4.5
171.10275	18.3
176.08347	6.3
177.05504	6.4
178.10152	5.3
181.12338	4.1
185.11903	19.3
191.14438	9.0
197.11830	27.0
207.10300	20.7
209.11841	100.0
225.11316	13.4
235.08186	6.6
244.88101	5.3
245.19086	16.9
253.09256	22.8
261.18542	5.0
271.17105	6.3
277.18289	4.7
277.21912	5.1
278.06796	4.4
287.16666	22.1
289.18124	63.3
291.19553	5.9
295.19077	6.2
303.16000	8.9
305.17593	91.5
306.17889	6.3
307.19171	60.5
309.20865	7.3
313.71368	4.8
321.17166	6.4
323.18604	16.5
396.60596	4.0
499.31149	4.7
529.33978	5.3
541.26611	34.4
559.27386	7.3
663.54944	5.0
705.35980	8.1
721.38483	6.9
751.40155	9.8
780.39447	9.3
782.52759	6.2
813.44250	14.2
829.44116	7.6
831.45612	78.3
832.46368	6.3
849.46326	49.8
885.44690	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	885.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.7
66.17766	1.2
71.01395	11.5
73.02970	1.9
85.02956	4.1
89.02459	3.3
96.45121	1.7
96.96027	10.0
101.02457	4.8
113.02477	3.4
121.54280	1.5
138.04329	1.5
145.19408	1.2
309.21466	1.4
581.37372	2.0
601.37732	3.5
619.39191	7.0
637.39355	12.1
661.38898	2.1
679.40680	100.0
680.41174	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	885.486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	25.0
67.63229	1.8
69.45948	8.9
71.01390	10.6
72.99312	2.2
73.02946	5.5
83.05022	7.5
84.02179	2.1
85.02957	9.0
89.02436	8.1
95.05032	9.3
96.96018	36.1
97.06582	5.3
99.00893	2.8
100.01649	2.7
101.02450	8.1
107.05027	3.0
111.08140	2.1
113.02460	5.9
115.07647	4.1
116.92859	8.5
121.06562	2.1
123.08192	2.9
125.06078	7.0
125.09722	11.6
127.03921	2.0
127.07652	6.8
127.11282	6.5
135.08142	2.9
139.06812	1.8
139.07668	16.2
141.09210	5.1
153.09235	20.7
155.10753	5.0
161.04469	3.3
163.11250	6.2
165.09190	2.8
165.12744	3.4
169.08759	9.4
171.10281	80.6
178.09990	3.1
181.12317	2.3
185.11787	12.0
191.10762	3.4
197.11821	15.4
199.09894	2.6
201.11328	100.0
207.10208	4.3
209.11844	73.2
210.86916	1.9
211.13478	3.0
216.55435	2.1
220.16562	2.4
225.11285	3.4
227.12840	3.9
235.08202	8.5
245.18951	3.2
253.09229	27.5
287.16592	3.0
289.18076	16.6
291.19501	3.4
305.17569	22.1
307.19153	85.0
309.20660	3.2
323.18762	3.2
325.20245	36.6
341.23212	8.6
407.19034	3.3
437.20618	3.0
525.26080	1.9
541.26556	8.3
543.28162	19.6
561.29297	4.8
697.38196	8.7
715.39453	2.6
727.39026	12.5
745.40576	3.4
831.45508	3.0
867.47729	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83373	0.4
61.98824	2.0
63.17596	0.4
69.03429	0.6
71.01387	15.7
72.99307	1.0
73.02956	2.9
80.02674	1.2
81.03468	2.0
83.01391	2.0
83.05037	5.3
84.02171	0.6
85.02969	3.3
87.00896	4.6
89.02454	12.8
95.01396	1.2
95.05042	1.4
96.69358	0.4
97.02964	2.5
97.06614	0.4
99.00900	1.0
101.02460	11.0
111.04520	0.5
113.02459	6.8
119.03530	3.4
125.02457	4.6
125.06076	0.6
131.03526	0.7
133.09996	0.5
134.84755	0.4
135.07175	0.4
135.08136	0.6
140.99068	0.4
143.03502	2.5
161.04599	2.7
163.11298	4.8
165.12856	2.3
167.03510	0.4
179.05649	2.6
181.12358	0.5
191.10803	0.8
207.10272	0.7
209.11847	100.0
210.12212	2.4
213.61919	0.4
221.06628	1.1
225.11295	0.5
227.12897	11.0
235.08310	4.3
251.12979	0.6
253.09364	0.9
277.21759	48.0
278.22119	1.8
287.07813	1.5
305.08786	1.5
319.22791	0.4
323.09909	1.3
359.32620	0.5
379.12521	6.8
397.13525	32.0
398.13794	1.2
415.14648	8.3
589.24591	0.6
607.26917	0.8
675.35693	0.8
899.31799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.1
69.03453	1.1
71.01391	13.8
72.99315	0.6
73.02959	3.0
80.02680	1.1
81.03463	1.7
83.01402	1.6
83.05038	5.2
85.02962	3.8
87.00883	3.4
89.02454	11.3
91.04039	0.4
95.01386	1.1
95.05021	1.0
96.96025	0.5
97.02938	2.1
98.22669	1.1
101.02450	10.4
113.02475	5.2
119.03515	3.7
121.02984	0.7
121.38857	0.4
125.02480	6.1
125.06139	0.6
131.03537	0.6
135.08185	0.8
143.03528	1.9
161.04614	2.3
163.11302	4.5
165.12891	2.1
179.05664	2.9
181.12308	0.8
191.10788	1.4
199.06122	0.5
207.10286	0.9
209.11845	100.0
210.12177	1.6
221.06662	1.6
225.11542	0.4
227.12923	9.5
235.08205	4.2
251.12982	0.9
253.09293	1.3
277.21744	40.6
278.22028	1.7
287.07791	1.4
287.16504	0.5
289.18137	0.9
292.62112	0.5
305.08936	1.7
305.17624	1.3
307.19327	1.1
323.09930	0.9
379.12457	6.0
397.13571	27.1
415.14603	8.6
605.08228	0.6
607.25989	1.2
733.37988	0.6
831.45374	1.3
849.47186	0.7
885.46667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
72.63415	0.2
80.92924	0.2
85.00449	0.6
94.62456	0.2
94.92549	0.2
96.96035	0.4
98.21825	0.6
109.34334	0.2
115.47075	0.2
116.92858	0.4
125.31336	0.2
133.02731	0.2
136.29576	0.2
160.41393	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	7.4
62.13440	0.8
69.09667	6.2
71.02446	0.8
82.06621	1.0
87.05653	1.9
94.06652	1.0
103.01509	100.0
125.09705	1.0
129.10356	7.1
131.69583	0.9
135.08214	0.8
139.08705	1.2
140.07178	1.4
143.60255	0.9
146.06232	1.0
155.08292	0.9
156.04062	1.0
165.10326	1.9
197.11827	1.2
200.14142	1.7
207.10233	0.9
207.15019	6.3
209.11890	4.7
210.12117	1.5
213.85428	0.9
224.17670	2.6
225.11426	1.0
225.16116	1.4
242.18706	6.8
253.09309	1.4
259.14566	2.4
261.64410	0.8
287.16489	1.2
289.18011	2.5
290.18320	1.7
295.21402	3.4
305.17563	3.9
306.18005	1.9
307.18964	2.1
312.17148	1.5
313.22455	1.5
337.26031	3.8
539.39600	1.7
541.26373	1.3
542.26819	1.1
573.37842	1.8
727.16241	0.9
734.38025	1.0
782.51886	73.6
783.52399	6.0
830.45557	1.4
832.45502	3.2
833.46869	1.7
850.46234	2.1
877.91040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	94.8
71.01399	5.3
73.02932	2.5
82.95406	2.2
85.02978	4.8
89.02472	4.3
96.96024	5.3
97.03017	2.4
97.06622	4.0
101.02460	6.5
113.02499	2.6
116.92870	7.7
121.02956	2.7
125.09732	10.2
126.20834	2.2
129.59464	2.2
137.09824	2.6
141.09203	2.3
153.09222	13.3
159.11357	2.2
161.04677	2.4
163.11290	6.1
165.12895	3.1
171.10291	31.5
176.12476	2.1
178.09851	2.4
181.12253	2.7
185.11855	9.9
191.10709	2.5
191.14502	4.6
197.11858	7.2
207.10262	2.6
207.66386	2.4
209.11858	41.9
225.11275	2.8
227.12991	2.9
235.08252	5.3
237.11313	4.2
243.17456	2.9
245.19217	12.2
253.09309	14.9
271.17203	3.5
277.18155	2.2
289.18115	43.8
291.19559	5.1
305.17603	17.4
306.18353	2.4
307.19171	100.0
308.19629	8.5
309.20773	10.5
323.18683	3.5
325.20151	23.6
333.20663	3.2
447.25833	2.3
525.27130	5.0
541.26575	5.8
543.28113	21.0
561.28815	5.2
653.91620	2.4
753.40735	7.4
764.40222	8.0
782.41064	3.6
815.45715	6.9
833.46985	39.1
834.47040	4.6
851.48413	21.7
852.48981	3.2
887.45355	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	83.0
69.54633	37.3
71.01376	17.1
89.02435	9.1
97.03059	8.3
101.02460	14.3
103.01496	7.4
116.92876	12.8
125.09732	11.6
140.66238	8.5
171.10274	12.7
181.12314	8.6
185.11855	29.2
197.11765	17.9
207.10254	8.4
209.11861	91.4
215.96352	7.3
235.08292	10.8
253.09470	18.8
277.18008	12.6
287.16498	12.1
289.18127	16.6
291.19669	21.6
305.17578	67.3
307.19031	50.1
309.20782	77.8
323.18674	18.7
325.20239	12.7
387.95618	7.7
523.25269	9.5
541.26550	40.1
543.27655	13.1
545.29889	15.1
559.27087	7.6
753.40662	18.5
782.40479	11.5
833.47058	100.0
834.47626	8.4
851.48126	32.3
887.46021	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.5
69.03456	0.7
69.62806	0.5
70.44241	1.4
71.01385	37.5
72.99317	1.0
73.02948	12.3
73.44224	0.5
75.00856	1.3
78.97221	0.6
83.01393	9.1
85.02954	21.0
87.00869	2.5
87.04501	0.8
89.02449	8.3
95.01386	4.1
96.96004	1.0
97.02947	2.0
99.00876	4.6
101.02447	36.4
111.00869	1.7
113.02455	15.7
119.03510	2.5
125.02463	2.2
129.01921	1.0
131.03488	0.9
143.03510	1.5
159.02989	2.1
161.04582	5.8
175.04079	0.6
179.05576	0.6
191.94878	0.6
194.88660	0.6
209.11819	0.6
283.02420	1.8
284.03683	0.6
443.31769	1.2
461.32684	10.2
503.33832	2.3
584.23212	0.6
605.36938	5.9
615.99860	0.8
623.38013	7.9
665.39136	23.2
666.39404	1.5
767.42242	19.9
768.42200	0.7
785.43451	7.8
786.44269	0.7
827.44409	100.0
828.44592	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	888.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
70.31496	0.2
71.01413	0.2
82.95427	0.3
96.96041	0.4
98.22688	0.5
112.56149	0.2
113.78854	0.2
116.92873	1.4
119.83428	0.2
134.89517	0.3
150.41760	0.2
197.11824	0.2
198.12114	0.2
226.30296	0.2
309.20798	0.5
415.22177	0.2
613.27905	0.2
736.59119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
73.83147	0.3
96.96037	0.6
98.22646	1.1
101.74072	0.3
116.92905	0.7
159.17398	0.3
292.71460	0.3
294.35178	0.3
355.40878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	16.0
66.62817	2.2
69.06553	5.4
69.06947	14.1
78.37258	2.4
80.91676	2.6
85.84005	2.4
93.96638	2.3
96.96017	3.3
99.00784	2.5
99.29066	2.4
101.02420	3.8
115.67337	2.3
116.92863	2.9
127.07647	2.5
153.09261	5.2
160.75273	2.2
163.11263	2.6
165.12863	3.1
171.10260	7.0
180.45961	2.1
185.11835	3.8
197.11852	7.4
198.40201	2.3
209.11830	16.5
211.13646	2.2
227.12836	3.7
235.08199	7.7
247.20744	4.1
253.09273	10.2
284.75919	2.5
289.18198	9.4
291.19623	27.3
307.19174	44.1
309.20746	100.0
325.20224	25.0
360.92172	2.6
393.35687	2.8
432.71350	3.1
543.27954	15.6
545.29846	32.4
645.78033	2.6
645.90710	2.5
693.39050	6.0
699.39624	4.2
766.41034	6.9
784.42664	3.6
817.47479	5.5
835.48615	44.7
836.48749	5.1
853.49707	22.4
889.47406	40.8
890.47717	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	889.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	62.5
62.55862	7.6
67.40137	7.6
69.91599	22.7
69.91962	11.4
71.01387	14.6
80.91670	8.6
82.95432	15.1
96.96004	16.9
98.22579	11.1
101.02454	11.2
103.01498	7.6
116.45480	8.5
125.09730	7.7
156.03331	8.6
157.69373	7.8
169.08661	10.9
171.10216	31.8
185.11826	11.2
197.11806	19.4
209.11853	89.0
223.77704	8.3
227.12959	9.6
235.08363	12.5
253.09264	44.3
275.20218	14.0
277.18091	10.9
287.16306	20.8
289.18033	20.4
291.19644	64.5
293.21255	100.0
305.17538	84.8
306.17908	9.2
307.19113	54.8
309.20737	47.9
323.18689	9.8
325.20160	14.9
541.26483	36.0
543.27844	22.8
684.98364	9.4
737.74493	10.1
750.53418	11.4
755.41589	12.5
766.41101	14.1
803.39734	10.5
833.47144	29.6
835.48199	42.8
851.48181	10.9
889.46759	29.9
901.95245	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	891.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91452	5.2
67.08904	5.1
71.01389	37.0
73.02975	6.7
83.05030	15.2
85.02980	6.4
87.00867	6.3
89.02451	7.9
95.05042	10.8
96.96029	17.5
97.06599	18.8
98.21816	14.3
99.00893	10.1
99.92585	7.3
101.02457	12.3
103.01489	35.3
107.05016	11.2
109.06593	9.2
111.00877	6.8
113.02456	9.8
116.92863	12.4
123.04534	13.4
123.08144	7.6
125.02450	5.8
125.06083	21.4
125.09720	13.1
133.06563	5.8
134.29530	5.6
134.89459	8.8
135.08173	18.3
139.07637	11.0
151.07631	10.0
153.05600	6.5
153.09213	15.3
157.08731	6.5
161.04720	5.7
161.06049	7.6
163.07678	11.6
165.12857	7.3
169.08719	29.4
171.10249	24.5
177.05624	15.6
179.07097	13.8
181.08734	38.0
181.12273	7.4
185.11765	15.1
197.11835	17.7
201.11337	14.1
203.02625	5.8
207.10278	13.8
209.11853	91.7
223.99290	6.0
225.11360	17.5
227.12961	6.2
233.15492	14.9
235.08185	16.5
236.10544	7.5
251.12990	9.4
253.09273	32.2
259.13385	20.8
261.18396	6.4
277.14536	65.9
277.17783	10.7
279.16144	6.9
287.16376	11.5
295.15552	11.6
295.19058	8.9
305.17569	100.0
307.19128	21.7
309.20633	6.6
323.18634	19.8
325.20056	7.4
359.22528	6.4
376.31064	6.3
541.26929	27.2
559.27563	14.1
597.81732	6.0
721.34265	7.2
739.34607	8.7
750.35028	11.9
768.36334	43.8
819.42480	9.1
838.43512	9.0
891.45203	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	893.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02331	0.2
66.24976	0.2
71.01393	0.4
71.41618	0.3
75.89465	0.3
85.02966	0.4
87.00903	0.4
89.02464	0.4
92.27090	0.3
101.02467	0.4
106.04305	0.3
121.02990	0.9
133.02986	1.2
134.03758	61.3
135.04094	0.8
137.02464	4.6
139.04031	1.4
149.06096	18.0
150.03255	0.6
150.06483	0.4
161.04564	0.3
168.08742	0.3
178.02734	32.7
179.03011	0.7
179.05647	0.6
191.05724	0.4
193.05077	100.0
194.05385	1.5
355.10379	20.7
356.10867	0.5
464.40292	0.3
537.25391	0.9
583.47845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14994	20.4
71.01394	25.7
73.00501	9.5
73.99582	9.8
83.05051	11.7
86.61546	10.1
87.83666	10.2
88.76707	10.5
96.96009	16.2
99.00900	12.2
101.02475	11.9
101.70033	11.0
109.06624	10.7
116.92909	23.1
125.06081	20.1
135.08160	18.3
137.95090	9.8
139.07628	12.4
139.69487	9.7
153.09248	20.3
169.08716	35.8
171.10309	34.2
181.08754	27.4
188.40994	10.9
197.11844	22.2
209.11861	75.1
235.08301	15.3
253.09381	35.4
277.14438	24.4
279.16031	49.7
289.17953	11.7
305.17480	49.7
307.19153	100.0
325.20245	28.4
540.18518	10.2
541.26855	11.2
543.28119	30.5
602.58893	11.0
761.58508	11.2
770.37506	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	895.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18306	2.4
75.00863	1.1
82.99397	1.0
85.21502	0.9
86.27287	0.8
103.00376	3.5
103.01507	100.0
109.22519	0.9
130.48621	0.8
133.07719	1.0
176.42992	1.0
209.11847	1.0
255.52257	0.9
280.91678	0.9
551.42792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
104.68347	11.7
105.25895	10.7
109.06591	15.2
116.92854	13.2
128.06290	11.2
139.10658	11.8
139.70662	11.9
143.99878	10.2
207.10275	66.1
225.11307	22.3
228.89886	10.9
255.23273	52.9
257.72015	12.8
397.13632	55.4
447.04376	13.7
582.28918	15.4
653.37439	24.2
861.48541	100.0
897.46399	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.498
Annotation	Unknow
Peak:m/z	Relative Intensity
68.76880	0.9
71.01387	5.5
71.42571	1.3
75.00890	1.7
76.77889	0.8
77.46008	0.9
89.02447	1.8
103.00376	4.2
103.01505	100.0
130.45811	0.8
132.67477	0.9
135.25957	1.0
171.10310	2.0
174.15390	0.9
207.37898	0.9
221.11826	4.9
255.23267	3.0
265.48798	1.1
277.21829	2.8
294.76361	1.0
394.87341	1.0
397.13452	3.1
415.14539	1.1
456.63348	1.0
469.90582	1.0
472.79218	0.9
474.14902	1.1
778.30334	1.1
897.48822	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	898.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91434	98.1
71.01374	47.6
72.02517	40.9
83.62997	47.4
98.21934	83.1
111.44051	46.1
117.97594	45.1
154.05815	38.0
158.17969	48.0
171.10228	40.9
197.11861	56.2
206.53009	54.7
223.13477	63.1
293.21213	100.0
298.70377	42.2
320.75290	50.2
426.15939	48.2
436.81241	55.1
816.64142	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	899.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	5.0
69.39613	1.2
71.01393	13.0
71.38138	1.7
73.02969	3.3
73.62690	1.3
83.01405	1.9
85.02949	4.2
87.00895	2.5
88.98811	2.4
89.02460	9.6
97.02952	1.7
101.02451	8.5
104.08736	1.2
113.02460	4.7
123.08205	1.5
125.02431	3.3
125.09749	2.2
150.03574	1.5
151.11346	2.8
161.04561	1.8
161.09694	4.5
179.05664	1.4
179.10797	5.3
197.11847	44.0
217.46748	1.6
221.06635	2.4
241.10811	2.0
277.21777	32.2
283.74814	1.5
397.13510	2.3
582.72485	1.6
899.46533	100.0
900.47052	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	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	4.1
71.01386	13.7
71.05017	2.3
72.99302	1.4
73.02938	2.0
83.01414	1.3
84.32847	1.2
85.02947	2.1
87.00848	1.5
89.02447	9.2
92.11810	1.4
97.02950	3.4
99.00848	1.6
101.02457	7.5
113.02449	3.2
123.08174	1.7
125.02453	2.8
151.11301	1.9
161.09737	2.1
171.10294	1.8
179.10831	4.3
197.11839	53.3
241.10822	3.9
277.21765	19.5
308.94653	1.6
397.13483	4.2
771.77820	1.7
899.46509	100.0
900.47003	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	899.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85042	5.7
71.01373	12.3
75.00854	7.4
89.02448	11.6
101.02479	12.6
103.01493	7.1
113.02460	10.0
116.90285	5.4
116.92852	7.4
119.03515	5.7
120.35033	6.0
125.02505	6.3
143.03458	7.6
209.11852	100.0
209.90192	6.7
227.12965	30.3
255.23216	38.8
262.42413	6.0
379.12433	21.5
397.13474	89.8
415.14276	18.1
589.25171	7.6
635.36267	8.2
653.37097	9.5
899.47833	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31812	100.0
71.01398	30.2
89.02471	25.0
96.96026	29.9
102.29488	17.2
111.00942	26.6
116.92876	50.8
154.83916	18.8
172.86194	17.6
207.10330	33.1
209.11838	91.4
210.12215	17.8
225.11166	23.8
226.11760	28.3
244.50000	18.1
272.18460	18.2
291.19806	53.2
292.19998	26.9
293.21240	34.7
309.20816	23.9
538.54407	19.7
717.77460	19.9
721.69513	23.3
900.47296	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	900.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	95.5
76.51328	43.0
81.35332	42.2
104.09912	46.4
107.89399	41.1
171.10284	100.0
171.49773	41.7
229.05867	41.6
277.21878	65.3
278.21945	51.7
347.22061	43.5
397.13821	50.7
551.14240	51.1
668.50671	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38149	100.0
99.16816	16.3
197.11931	24.5
215.67632	17.7
232.89354	19.8
277.21948	28.0
337.25305	18.0
608.08405	23.3
632.35822	20.0
770.06653	21.3
900.46631	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30198	100.0
71.01397	29.1
75.70265	22.9
94.21660	21.5
167.98712	25.3
209.11821	24.2
277.21741	37.4
293.50992	23.2
397.13013	23.0
640.24774	28.5
900.45764	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	900.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86797	69.9
71.39970	71.2
83.56428	68.8
103.01510	71.6
116.92909	100.0
225.51437	63.4
282.45792	84.4
367.99460	76.8
482.83310	69.9
837.32324	79.2
841.67712	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48964	2.4
71.01397	20.0
72.99290	2.8
75.00860	3.0
85.02934	3.1
89.02458	12.5
92.92767	3.1
97.02974	7.6
97.06577	4.4
97.19779	2.5
99.00874	16.6
101.02445	10.2
113.02460	5.7
116.92878	3.5
119.51781	2.5
125.02481	3.7
125.09728	10.2
127.94576	3.0
150.29034	2.6
160.11374	2.6
161.04576	3.2
163.11305	11.2
171.10277	20.5
179.05591	3.4
181.12379	11.6
199.13390	5.5
201.11169	3.8
207.10283	24.4
209.11879	4.9
214.35864	3.0
225.11366	40.0
235.08159	3.7
243.12366	14.0
277.21774	36.9
285.65030	2.7
294.26880	2.6
305.17596	2.8
397.13626	16.5
415.14505	4.3
541.18469	2.8
682.44391	2.6
722.57642	2.9
901.48114	100.0
902.48389	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	901.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05676	21.0
71.01389	26.1
73.02965	6.6
83.01402	2.8
83.05020	3.6
85.02980	5.7
89.02467	15.8
92.92799	5.7
97.02961	6.1
97.06560	4.2
98.22698	5.8
99.00919	16.7
101.02452	10.3
107.05042	3.3
113.02468	6.5
119.03513	3.7
125.02422	3.6
125.09727	11.5
131.24419	2.9
136.39015	3.2
142.50786	4.0
161.04558	4.9
163.11295	8.9
171.10345	18.3
173.81160	3.0
178.44502	2.9
181.12372	12.8
187.66576	3.1
197.11879	4.4
199.13382	7.1
207.10307	28.9
209.11848	20.2
211.13496	5.6
223.09535	3.0
225.11380	36.7
243.12411	14.1
277.21680	34.3
294.47433	3.3
303.16006	3.8
305.17609	9.8
397.13318	20.8
541.26526	4.5
623.25812	5.1
847.43951	6.4
865.46252	5.4
901.48102	100.0
902.48846	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83274	14.0
71.01382	20.7
71.23709	3.6
83.05035	8.6
85.02975	6.3
89.02476	16.4
96.96029	17.7
101.02467	10.1
113.02460	8.0
114.93235	4.6
116.92883	15.8
121.34302	4.5
123.85352	5.0
141.53822	4.1
143.07159	6.6
163.11281	8.2
171.10297	15.0
183.13875	4.5
195.13820	5.7
201.11349	20.4
209.11842	100.0
227.12918	14.4
235.08440	6.0
248.69678	4.4
253.09322	9.7
272.57132	4.7
274.51343	5.0
275.20316	8.6
293.18234	8.3
293.21262	90.3
305.17560	7.3
314.95779	5.1
341.23538	6.4
373.75800	4.1
397.13577	43.4
415.14542	10.3
549.97284	4.4
701.41028	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	902.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60188	55.0
96.96014	100.0
98.68192	56.0
104.67658	59.1
110.84763	57.9
122.08628	53.9
137.50024	64.5
209.11784	80.5
218.48628	59.5
221.26280	63.3
597.54138	68.8
609.50256	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.44
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83028	24.4
69.41667	100.0
70.24840	24.9
71.01418	25.8
76.62791	24.2
85.48378	30.3
89.02451	31.4
99.13534	24.5
116.92876	99.9
134.89377	36.0
143.07126	49.2
157.18533	29.9
209.11870	52.1
210.12248	29.2
228.07231	27.0
232.74536	27.1
356.09299	28.2
718.22906	27.3
884.45563	33.1
909.88654	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32106	1.6
69.79799	1.5
70.80177	2.0
71.01385	13.3
73.02943	6.8
74.74916	1.4
81.03463	2.4
83.01382	4.7
85.02959	7.8
99.00879	2.8
99.04529	95.8
101.02448	38.4
113.02450	8.4
125.02467	38.3
128.47331	1.6
133.47897	1.8
133.99771	1.8
143.03514	5.7
157.05626	1.6
161.04559	6.1
221.10324	44.1
227.08258	1.8
228.08994	1.7
263.11362	14.5
271.10928	3.9
289.11862	4.3
303.14679	7.9
365.14532	100.0
366.14435	2.3
391.89575	1.7
766.97839	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	903.452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30541	7.4
70.37169	6.1
70.39738	5.7
71.01385	17.2
82.67984	7.7
82.96356	6.9
85.00426	8.8
89.02441	11.2
96.96061	7.5
98.22772	5.2
98.68095	6.5
101.02453	19.5
103.01527	7.9
106.31853	5.9
108.19582	6.4
113.02420	8.8
116.92863	42.8
121.64510	5.8
125.02410	6.9
125.09707	9.4
133.39786	5.9
135.08157	7.3
143.07100	7.1
151.11299	6.5
153.09245	8.5
153.12836	10.6
163.11249	10.2
171.10254	22.3
185.11871	18.4
197.11818	45.8
199.13298	14.8
207.10347	9.0
209.11891	100.0
225.11346	15.8
227.12827	37.3
229.14433	13.0
235.08234	14.1
253.09267	25.2
261.18668	7.2
277.18079	10.1
287.16440	13.3
289.18042	28.7
291.19711	11.0
297.20700	6.7
305.17575	93.6
307.19171	62.0
309.20816	14.6
325.20230	18.5
397.13309	7.1
423.24948	8.7
461.44498	6.9
508.21017	6.8
523.25464	6.7
541.26587	22.6
543.28113	17.7
677.35455	12.6
716.18805	6.9
721.37946	23.4
733.37811	34.3
739.38593	15.7
751.39264	39.3
753.40283	14.3
769.40387	21.0
798.40393	11.3
831.45746	19.8
849.46515	29.0
867.48407	10.2
903.45386	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	903.452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	25.4
71.99975	15.5
78.91888	34.5
89.02491	15.0
96.96036	26.0
101.02473	19.9
116.92867	28.0
118.73980	14.6
127.54498	14.7
197.11761	31.5
209.11833	100.0
225.11275	31.0
227.12820	21.5
229.14523	22.2
253.09389	16.6
254.49828	15.2
289.18030	30.0
305.17606	74.3
307.19196	78.1
325.20059	17.9
438.77643	21.1
457.68423	16.1
541.26514	39.4
721.38770	25.5
733.37640	35.4
740.39496	16.4
751.39673	31.2
753.41028	26.7
769.40625	29.9
790.06714	15.9
798.40790	23.0
831.45166	26.1
849.46033	41.6
903.44165	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	903.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19778	6.8
71.01389	27.8
72.29958	8.0
73.02958	7.3
78.91906	9.0
89.02454	23.1
92.92810	21.3
95.05036	9.1
95.17341	7.4
97.03000	8.0
101.02442	12.4
116.92831	10.6
125.02480	12.7
125.05991	7.4
125.09699	9.5
140.91254	9.1
141.09174	8.4
151.07649	12.5
159.82379	7.1
167.50569	8.9
169.08760	9.2
171.10280	56.7
181.12497	8.4
201.11353	89.1
209.11848	100.0
224.98296	8.5
231.92772	7.7
235.08298	8.2
253.09370	10.8
277.21848	39.8
289.18069	39.9
305.17767	36.8
307.19186	46.1
323.18549	8.6
325.20242	8.5
359.60217	8.1
397.13580	42.7
415.14716	11.0
525.69562	8.1
543.28210	17.8
767.38220	8.4
831.45459	24.6
903.44513	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	904.456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68425	78.4
71.01420	23.3
81.57797	23.3
82.95426	59.1
83.03339	21.2
83.21478	21.3
85.00440	52.7
94.63824	26.5
98.22596	27.4
106.47403	22.4
116.92877	100.0
132.30891	20.8
162.64421	22.8
214.82974	25.3
266.76367	29.0
292.20035	31.6
309.20627	38.2
371.55188	28.4
445.33633	26.5
446.36606	24.0
489.93463	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26904	4.6
71.01395	30.8
85.02969	6.2
89.02457	29.3
97.02957	18.0
97.83213	5.1
101.02439	16.9
109.06596	37.9
110.03732	7.6
113.02480	12.3
115.21104	4.9
125.02453	6.0
147.39246	5.4
161.04501	7.2
163.11292	22.0
192.84601	5.7
197.56363	4.8
207.10269	100.0
225.11394	33.4
235.08275	7.6
255.23273	86.6
281.83664	7.0
316.71198	5.7
379.12292	7.4
397.13464	62.8
415.14261	11.1
861.48822	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.13535	3.4
69.91280	10.0
71.01384	11.3
89.02493	2.8
89.70387	3.0
95.05051	3.9
96.96015	10.2
97.06622	4.0
101.02470	7.4
107.05039	5.2
113.02467	4.7
116.92883	8.0
121.68032	2.9
125.06118	6.2
125.09721	5.3
127.23234	3.0
153.09227	4.9
161.04613	4.6
163.11331	4.6
169.08731	12.3
171.10312	16.3
181.12338	3.5
185.11906	4.4
197.11885	6.3
199.09761	4.0
201.11336	8.3
207.10304	7.3
209.11856	31.7
210.12225	3.1
211.33417	3.2
225.11246	5.1
227.12872	4.3
235.08215	6.7
253.09222	19.0
287.16580	6.4
289.18124	10.0
291.19745	23.0
305.17603	41.1
307.19177	27.5
309.20749	100.0
323.18478	6.1
325.20221	5.9
341.23303	4.5
461.20065	3.4
541.26941	7.2
543.27887	6.2
545.29510	13.3
753.40802	5.8
782.40479	9.5
833.46808	10.2
851.48657	5.7
852.48804	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	905.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01425	10.7
71.42594	8.2
96.96020	19.0
116.92852	27.8
134.89459	28.6
135.89496	12.4
136.89218	79.8
153.09187	10.5
153.12808	9.1
171.10286	20.3
197.11842	18.0
209.11865	39.8
227.12917	23.3
229.14436	16.4
289.18066	16.6
307.19131	100.0
325.20084	27.4
433.20569	11.2
543.28253	32.0
554.24707	10.6
753.40814	31.1
833.46313	24.2
905.47107	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	905.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	6.6
71.42258	6.4
71.42628	7.0
78.04329	4.9
78.91895	34.1
82.95450	4.7
83.05084	5.2
89.02467	4.7
116.92882	22.1
127.07657	5.4
131.59395	4.9
153.09187	15.9
153.12840	4.5
163.11317	6.2
170.73941	5.0
171.10243	22.6
185.11876	8.4
197.11850	29.2
199.13441	10.6
209.11845	48.3
215.12918	5.1
227.12851	30.7
229.14406	29.7
235.08376	10.6
245.18993	7.3
253.09357	16.6
256.74908	5.4
263.20013	5.0
289.18097	17.7
307.15887	3.6
307.19147	100.0
325.20218	42.6
431.86026	5.0
433.20688	10.1
463.21957	10.9
474.21979	7.1
525.26685	7.3
543.28204	34.9
723.39667	21.5
735.39429	20.9
741.39703	10.2
753.41077	27.0
771.41803	17.1
833.46735	22.3
851.47974	19.9
886.53912	5.8
905.46332	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	905.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32103	2.9
69.32506	4.9
71.01375	9.2
73.02969	1.6
83.01418	1.9
83.05027	3.8
85.02959	2.2
87.00884	1.7
89.02467	4.4
95.05049	2.0
96.96017	2.6
97.02955	2.3
97.06598	4.6
98.21910	3.0
99.00990	1.6
101.02443	7.6
103.38755	1.3
105.77306	1.4
107.05061	3.2
109.06616	1.9
111.00929	3.1
116.92871	5.0
118.61278	1.4
121.02967	2.1
123.08094	1.6
125.02437	1.8
125.06107	9.1
125.09722	5.6
135.08243	2.8
139.07648	3.1
141.09258	2.5
142.64758	1.5
153.09195	5.5
161.04579	3.5
161.09671	1.7
163.11299	7.8
165.12856	7.7
169.08720	15.7
171.10268	9.8
176.08417	1.8
179.14389	1.8
181.12343	4.5
185.11897	4.4
191.10826	2.1
197.11858	10.5
199.09802	3.8
201.11360	6.0
207.10289	10.7
209.11847	55.3
223.13338	2.1
225.11412	7.4
235.08255	3.9
240.64874	1.3
247.20702	5.1
253.09312	19.4
261.18610	3.4
269.15604	2.2
273.18716	2.2
277.18121	5.0
279.19699	3.2
287.16486	7.9
289.18246	1.8
291.19702	62.8
292.20084	2.3
295.19168	3.7
305.17609	65.8
305.21133	3.2
306.17838	2.0
307.19232	4.7
309.20746	100.0
310.21017	2.8
323.18607	11.5
323.91449	1.3
325.20129	1.9
461.20551	2.6
541.26703	15.1
559.28137	2.9
753.40857	6.0
764.40686	2.7
771.41998	2.4
776.94360	1.7
782.40894	19.7
783.41718	1.9
833.47406	7.9
834.47650	2.5
851.48230	4.0
852.47919	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	905.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51426	11.0
68.48456	10.3
71.01377	19.0
75.99999	10.6
85.00446	40.6
94.92515	14.8
96.96025	30.5
101.02420	15.5
113.78317	10.8
116.92867	35.0
125.06104	12.9
169.08740	23.0
171.10313	27.6
201.11337	13.2
209.11801	100.0
253.09204	21.0
291.19763	34.1
305.17734	61.9
307.19336	25.9
309.20813	97.3
351.94989	11.7
541.26514	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
63.81398	0.4
71.01360	2.1
73.02948	0.4
85.02951	1.5
89.02452	1.3
93.03477	2.4
95.01413	0.5
98.99547	0.5
101.02439	1.2
107.55735	0.4
109.02957	0.8
111.00878	1.0
113.02428	1.2
118.63571	0.4
121.02953	4.0
122.03748	13.4
123.00888	0.6
123.04517	0.8
125.02385	0.5
133.02991	1.7
134.03716	0.7
135.04539	1.2
136.01672	9.5
137.02455	1.6
138.72006	0.5
145.02957	0.6
149.01256	0.7
149.02457	12.5
150.03235	91.9
151.00391	2.3
151.04027	13.1
160.01686	1.6
161.04538	0.7
162.03246	1.2
164.04808	3.8
165.05577	100.0
166.02728	8.2
166.05872	0.6
167.03447	0.8
172.05240	0.4
175.03970	2.2
177.05612	0.8
179.03540	0.5
179.05614	0.8
180.04312	5.9
181.05067	9.7
189.05502	0.8
190.02759	1.2
190.06311	1.2
191.03455	0.5
193.05067	1.1
195.06631	71.8
196.06947	0.8
196.21509	0.4
205.05016	1.0
206.05904	0.6
221.08284	0.9
223.06114	0.5
255.03001	0.6
265.07123	1.0
271.02481	2.2
295.08203	0.7
299.02008	3.3
300.02747	1.2
305.83560	0.5
320.85617	0.4
324.10358	0.5
325.09293	0.6
329.10254	1.0
339.12457	0.4
340.92465	0.4
342.11050	1.3
357.09671	2.2
357.13474	4.9
372.12149	2.1
373.12729	0.6
387.14526	20.6
388.14911	0.6
505.18454	0.6
516.27875	0.4
535.19708	2.7
553.20544	1.1
583.21899	61.5
584.22028	2.5
709.16638	1.8
745.27087	6.6
745.39856	0.5
871.21234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58712	2.1
71.01379	3.3
85.02958	1.4
88.24146	0.6
89.02435	1.8
93.03480	3.2
98.22648	1.1
101.02428	1.8
108.02171	1.0
109.02944	2.0
111.00900	0.8
113.02454	0.8
121.02959	8.2
122.03742	12.2
123.00866	0.8
123.04559	1.1
124.01650	0.6
128.66815	0.6
132.02187	0.7
133.03001	1.4
134.03748	2.0
135.04539	5.6
136.01669	15.4
137.02464	2.6
141.47012	0.7
147.04497	1.6
149.02454	18.2
149.06041	1.2
150.03236	73.1
151.00372	3.9
151.04022	17.0
152.01176	1.4
160.01678	1.8
160.05296	1.4
161.06018	1.1
162.03250	0.7
163.04044	2.6
164.04820	6.2
165.05579	72.5
166.02719	11.0
166.05951	1.2
167.03482	2.2
172.05356	0.9
175.04042	4.9
175.07732	0.8
177.01874	0.9
177.05553	1.7
179.05573	0.9
179.07133	1.4
180.04312	4.2
181.03436	0.8
181.05077	15.8
189.05569	2.9
190.02719	2.0
190.06358	5.1
191.03442	1.1
193.05087	1.1
195.06631	34.4
196.06999	0.7
205.04985	1.2
205.08704	1.7
221.08170	0.6
223.06172	0.9
284.02902	0.8
297.07535	1.3
315.08588	2.1
329.10291	2.9
342.10394	0.8
356.12750	1.6
357.09705	2.7
357.13480	4.9
367.10217	1.2
369.13535	0.7
372.12009	2.8
373.12985	0.9
386.13608	1.6
387.14508	30.6
388.95715	0.8
399.12943	1.4
490.16794	0.7
505.19022	3.0
520.17639	1.1
535.19788	38.3
536.20148	1.8
553.20825	1.2
565.20654	3.4
583.21893	100.0
584.21863	3.0
697.24780	3.4
727.25055	1.4
745.27075	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	909.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.7
83.01383	0.9
93.03471	0.6
96.96021	1.5
97.30690	0.5
107.01372	0.8
116.69567	0.5
116.92858	0.6
117.03475	1.2
134.03680	0.9
151.00328	1.7
159.04549	0.7
183.04517	3.4
189.69637	0.6
211.04037	2.5
215.39233	0.5
227.03520	27.2
228.03984	0.9
255.03014	60.7
256.03748	4.0
269.04459	0.8
283.02518	50.7
284.03299	29.3
285.04041	11.1
428.07309	1.8
453.08405	8.0
513.10492	2.7
555.11548	2.5
573.12408	0.7
578.12610	1.1
615.13580	100.0
616.14124	5.1
637.15424	1.1
652.37921	0.6
759.17474	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	909.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
66.84290	5.4
69.07997	5.4
69.54575	11.2
69.54944	7.7
70.39478	5.9
71.01387	28.4
83.05011	16.3
84.02152	5.8
85.02937	11.4
89.02445	8.4
93.79021	5.1
95.05033	16.9
96.96045	6.4
97.02952	6.9
97.06594	43.2
99.00878	24.3
99.29091	4.8
101.02399	9.1
107.05027	9.7
109.06600	9.7
110.03721	6.9
111.00877	13.1
113.02465	8.3
116.92847	15.0
123.04510	6.7
123.08194	6.1
125.06088	88.2
125.09712	13.5
135.08173	23.3
139.07652	23.3
141.09245	30.6
143.07147	12.4
151.07729	5.7
153.05544	11.7
153.09204	16.3
157.08667	10.4
161.04597	6.9
163.11304	7.6
169.08707	100.0
171.10263	21.9
177.05559	18.4
179.07097	8.1
181.08669	28.6
185.11778	17.6
197.08301	8.1
197.11835	18.0
199.09782	7.4
201.11345	26.3
207.10236	19.2
209.11850	73.1
213.11368	7.4
225.11295	19.6
225.58394	6.1
233.15381	10.6
253.09311	24.1
259.13342	7.1
277.14368	17.9
279.16147	5.4
287.16479	11.0
295.19208	6.1
305.17627	60.4
307.19189	25.9
321.16843	8.3
633.93243	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	910.445
Annotation	Unknow
Peak:m/z	Relative Intensity
84.37392	67.5
90.35452	79.3
96.96029	99.7
116.07516	70.2
126.90459	86.2
128.77435	69.8
206.21715	75.6
255.26587	100.0
339.39096	74.4
677.96112	97.4
829.42340	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	912.461
Annotation	Unknow
Peak:m/z	Relative Intensity
79.57648	76.5
83.08502	83.8
84.09622	66.7
116.92845	100.0
127.27206	73.6
147.10237	71.0
209.11852	83.3
307.19189	93.8
341.23477	91.1
507.32086	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
76.99557	26.4
86.69338	29.9
87.11491	28.6
88.98804	30.8
93.76128	27.4
98.21843	100.0
203.50661	28.7
205.17743	29.6
291.19180	28.7
430.93378	32.9
510.85767	28.2
695.78711	39.9
860.87036	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	913.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80904	2.3
71.01389	45.3
72.99337	2.5
73.02956	20.4
74.09108	1.6
75.00876	2.1
83.01387	13.5
85.02954	28.2
86.89632	1.6
87.00905	4.2
89.02460	9.7
95.01380	8.9
96.96006	3.9
99.00887	7.0
101.02454	50.5
113.02449	22.5
114.93441	1.9
143.03517	3.2
161.04576	6.7
165.05515	2.5
179.24457	2.1
195.06520	2.2
251.05028	1.9
268.90433	1.9
283.02454	4.8
394.32434	2.0
402.42960	1.8
443.31729	2.5
461.33105	8.6
605.36993	7.2
623.89819	2.4
647.38043	31.8
648.38464	2.4
665.38812	5.3
707.39319	2.8
749.40784	5.4
767.42694	9.0
809.43402	100.0
810.43610	13.1
827.44379	36.1
828.44147	3.7
869.45404	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	914.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
64.05830	39.8
74.29756	49.7
85.96654	37.9
98.22632	100.0
143.91800	42.4
277.99792	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67699	14.6
65.47176	13.7
67.26706	14.3
69.06873	100.0
128.31291	15.7
176.10565	14.4
186.07883	16.1
252.65497	16.1
478.07544	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	914.476
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90236	60.8
70.04144	60.3
71.01388	99.6
71.29274	71.5
75.00859	100.0
79.09588	57.7
82.18449	69.1
97.07869	59.2
240.23911	69.8
521.58276	69.4
857.85181	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18557	58.5
70.18897	80.1
71.01389	69.1
75.28391	37.6
88.98840	45.0
89.02431	52.9
101.02428	51.5
111.00878	61.7
182.97316	41.6
197.11888	81.3
207.10303	64.1
209.11935	48.8
238.90144	48.6
243.60674	44.0
307.18875	61.9
309.20633	77.2
329.16782	48.8
397.13605	100.0
400.47568	43.4
482.80331	48.0
490.31549	44.8
914.44745	64.9
915.45587	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	57.1
73.02953	7.0
75.00883	4.9
83.01398	7.2
83.05028	5.4
84.56855	4.5
85.02939	16.8
85.04881	4.9
87.00864	11.2
88.98754	9.0
89.02446	37.3
96.96047	7.2
97.02958	18.2
98.21900	14.8
99.00905	5.9
101.02453	35.5
109.06616	23.9
110.03725	7.1
111.00869	10.8
113.02460	20.1
119.03497	8.5
123.04495	7.4
125.02464	10.6
125.09704	13.4
135.08162	8.1
143.07114	9.8
145.03146	5.3
161.04605	8.5
163.11311	15.1
165.12874	7.5
171.10333	6.3
179.05659	10.2
181.12337	14.2
185.11821	12.1
197.11809	19.5
207.10321	72.2
209.11838	45.3
225.11346	36.7
227.12988	9.6
228.78757	5.6
236.77644	5.0
287.16455	5.3
289.18112	12.7
291.19647	34.3
307.19196	40.3
309.20770	69.9
329.21036	4.7
368.57010	5.3
397.13635	32.7
413.17111	5.2
415.14502	7.1
481.29700	10.3
499.30615	11.4
517.32385	5.4
707.35065	8.4
773.36743	6.1
879.43817	40.1
897.45087	73.7
915.45935	100.0
916.46313	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	915.46
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.3
71.00017	4.1
71.01019	2.9
71.01390	33.1
72.99293	2.5
73.02950	4.5
74.14201	1.9
80.02696	3.6
81.03460	6.0
83.01407	3.2
83.05015	3.6
84.02137	2.0
85.02957	10.7
87.00881	6.1
88.01246	1.8
89.02451	21.6
91.57242	1.7
95.01370	2.6
96.96018	6.4
97.02948	15.1
97.06588	2.6
99.00882	5.2
101.02450	22.8
107.04976	2.3
109.06598	40.5
109.07343	2.3
110.03776	4.4
111.00887	3.8
113.02453	12.1
119.03490	7.2
121.06602	4.4
125.02460	6.3
125.09719	7.7
135.08168	5.5
141.01891	2.0
143.03539	4.2
161.04501	2.7
161.09743	5.5
163.11290	25.2
165.12874	6.9
171.10266	5.6
179.05672	6.7
179.14494	2.1
181.12337	7.6
185.11821	4.5
189.09322	2.6
193.16005	2.2
197.11885	6.5
207.10277	100.0
209.11874	17.0
221.06639	3.3
221.11734	2.7
223.13454	3.4
225.11345	52.4
235.08202	3.7
243.12361	3.3
245.19135	2.4
246.05148	2.0
247.20671	8.7
253.09357	3.0
273.18567	2.4
289.18167	4.3
291.19678	73.9
292.20032	3.0
297.59540	1.9
298.79752	1.8
305.08929	2.1
307.19296	9.4
309.20718	90.6
310.21027	3.2
331.19128	3.2
345.20673	6.0
359.03439	2.2
391.67191	1.8
397.13547	36.2
415.14554	13.3
459.90051	2.1
481.29492	2.4
499.30768	4.0
517.31848	4.8
579.20636	2.3
605.24854	7.7
623.25439	10.6
879.43701	5.0
897.45245	23.4
915.46094	55.0
916.45587	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	916.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91367	1.2
69.80331	2.2
69.80719	3.4
70.70764	1.1
72.04548	4.4
75.44836	1.0
76.69354	1.2
80.14439	1.1
82.02988	83.6
85.02956	6.6
87.00898	1.5
91.05551	5.8
93.03463	3.2
98.02489	7.7
100.04051	40.0
116.92860	2.2
127.03986	1.4
149.02524	1.5
151.00417	2.6
163.04008	1.8
173.04628	1.3
175.03986	1.2
176.10921	1.4
178.99873	1.9
185.93297	1.2
191.05626	89.1
192.05968	8.2
199.04039	1.4
202.08742	19.1
204.10175	1.3
227.03429	2.7
243.02975	2.7
248.09297	100.0
255.03032	3.1
270.99551	2.1
271.02487	37.1
272.03052	1.3
283.02472	3.8
284.02979	3.9
285.04077	2.2
299.01984	84.1
300.02579	3.7
301.03503	8.1
337.09329	18.4
338.09674	5.3
416.47638	1.4
446.08273	1.8
447.09335	2.2
462.08081	22.1
463.09009	2.4
505.09775	3.7
579.13428	4.7
667.15204	95.7
668.15363	3.2
693.17145	1.6
694.16943	3.9
776.90582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
140.12839	77.6
159.16649	76.5
233.41107	84.0
277.83868	82.5
305.48361	83.2
492.93155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65290	43.4
69.65631	100.0
78.95885	28.4
92.92827	30.7
102.66499	32.9
105.72764	35.0
160.81787	37.5
182.57172	31.2
195.55774	31.5
222.32362	30.2
227.40160	33.7
233.89478	34.1
263.05219	34.3
323.86630	32.7
382.66357	35.5
398.09442	32.7
442.37872	42.8
916.47687	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	916.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39587	37.6
92.92839	47.1
96.96017	100.0
140.59615	36.3
208.60745	40.0
916.46741	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.5
71.01382	19.8
80.02654	1.7
81.03458	1.9
83.01395	3.0
83.05042	4.1
85.02959	4.4
87.00859	2.8
87.14130	1.1
89.02453	13.1
92.75915	1.3
93.03473	1.2
95.01457	1.4
96.96024	7.1
97.02946	3.6
97.06583	1.2
101.02455	10.3
113.02452	5.7
119.03516	3.0
125.02466	4.1
125.09734	1.4
136.21007	1.1
143.03526	1.9
145.71661	1.2
161.04549	2.9
163.11230	7.7
165.12823	8.5
171.10281	3.8
179.05684	3.1
179.14305	1.1
181.12375	2.8
193.15976	1.7
197.11864	1.6
209.11845	100.0
210.12183	2.7
221.06554	1.6
223.13300	2.0
225.11385	1.4
227.12938	13.4
235.08221	3.0
236.83937	1.2
247.20648	5.1
287.07922	1.4
291.19687	63.6
293.21210	1.7
305.09039	2.2
309.20749	93.4
329.21127	1.7
352.95340	1.4
379.12494	2.7
397.13525	37.3
415.14526	13.7
561.41235	1.5
656.97113	1.5
657.49835	1.6
899.46216	2.1
917.47107	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	917.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65322	5.9
71.01387	13.9
73.02952	1.6
81.03444	2.8
83.01384	1.7
83.05032	5.7
85.02957	4.5
87.00881	3.3
89.00567	1.2
89.02462	11.0
93.87569	1.3
95.01354	1.5
96.96011	6.9
97.02964	3.4
98.22583	1.8
101.02449	12.1
102.85361	1.4
113.02467	6.8
114.17991	1.3
119.03478	2.9
125.02445	4.7
125.09689	2.3
143.03455	1.9
143.19382	1.4
161.04495	2.0
163.11275	6.3
165.12819	6.3
169.12340	3.5
171.10272	4.5
179.05679	4.0
181.12363	3.7
189.61069	1.5
193.16019	2.5
197.11920	3.1
202.33046	1.4
207.10265	2.2
209.11847	100.0
210.12219	1.5
221.06599	1.7
223.13512	2.1
225.11249	1.9
227.12877	13.4
235.08240	3.8
242.62863	1.3
247.20609	4.2
287.07645	1.9
291.19684	56.4
292.19955	1.6
305.08478	1.5
309.20728	86.4
310.20935	1.8
379.12506	1.7
397.13519	32.5
415.14545	15.0
446.04987	1.4
607.26129	2.3
798.56549	1.9
917.44574	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	917.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11163	2.1
70.62532	3.1
71.01392	23.1
73.02981	3.0
81.03460	2.6
82.43230	2.1
83.05047	7.7
85.02981	5.6
85.84099	2.3
87.00870	5.1
89.02477	11.3
94.76137	2.3
97.02959	2.7
101.02468	15.1
106.49059	1.9
113.02465	8.8
114.93409	2.4
119.03527	5.8
125.02444	3.9
127.44528	1.8
150.56448	1.7
154.87970	2.2
161.04604	3.2
163.11319	6.6
165.12849	4.5
167.14470	3.3
171.10306	3.2
179.05594	5.8
181.12465	2.8
183.45251	2.2
185.76346	2.3
197.11644	3.4
201.36771	2.2
201.48773	2.1
209.11847	100.0
211.13463	3.3
225.11438	3.8
227.12900	17.3
235.08229	3.6
247.20749	3.6
291.19690	34.2
293.21307	4.8
309.20740	96.9
310.21344	2.5
320.59625	2.1
332.78973	2.1
351.14279	2.1
381.63657	2.1
397.13510	32.4
415.14752	10.6
490.12671	2.5
689.34082	4.0
707.34747	11.2
899.46198	4.0
917.47150	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	919.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86556	9.1
71.01383	27.2
80.10004	4.6
85.00452	10.8
85.02965	9.1
88.98807	6.6
89.02464	20.7
96.96024	15.4
97.02965	5.8
98.22594	7.8
101.02468	14.9
104.62627	5.4
109.06620	25.3
113.02467	13.9
118.68613	5.1
133.89769	4.5
139.67783	5.5
139.68944	5.1
161.04585	7.1
163.11296	14.1
179.05634	14.5
201.11261	8.4
207.10294	100.0
209.11835	12.3
221.06703	5.8
225.11313	50.9
235.08044	5.9
277.21750	55.9
305.17404	7.0
379.12512	12.7
397.13507	59.0
415.14667	18.7
605.24390	19.7
623.25714	14.6
832.78583	6.5
865.46368	8.2
883.47021	97.3
919.28491	6.7
919.44836	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	919.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71682	28.4
71.01376	35.8
71.25378	8.8
76.01881	9.3
80.91668	8.5
82.95412	11.2
84.96713	9.2
85.02972	8.7
88.98803	22.6
89.02444	35.1
96.96009	28.6
97.02959	13.0
101.02460	15.9
109.14291	8.9
125.02448	12.8
163.11263	24.1
201.11429	17.4
207.10275	89.6
208.88101	11.9
209.11858	12.7
225.11414	30.0
277.21695	78.4
343.15375	10.0
379.12463	10.6
397.13516	93.6
415.14572	16.6
491.99350	9.8
675.35638	14.8
883.46948	100.0
919.45050	53.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	12.6
80.02689	2.7
83.05022	4.7
85.02930	4.9
92.92822	4.2
95.05038	5.7
96.96011	8.7
97.06590	8.2
101.02496	7.3
105.82372	2.9
107.05011	4.8
109.06581	3.7
111.00893	3.7
113.02420	6.1
113.06079	4.3
116.92828	3.5
121.02984	3.1
122.78793	2.8
125.02420	3.1
125.06084	14.3
125.09731	13.7
127.07615	4.0
135.08171	6.7
139.07698	4.9
141.09171	4.6
151.07660	3.7
153.09206	8.3
161.04514	2.9
163.11327	10.3
165.12843	6.6
169.08746	26.4
171.10333	18.8
176.08376	3.0
177.05545	3.9
181.12344	3.6
185.11908	7.9
190.75418	3.5
190.96835	2.7
191.10828	5.0
197.11848	15.7
198.39365	2.7
199.09717	6.5
201.11281	6.6
207.10277	16.1
209.09836	4.9
209.11835	94.0
225.11304	11.5
236.10684	3.6
251.12921	6.2
253.09329	12.7
261.18573	4.7
277.18100	13.5
279.19431	3.2
287.16470	15.9
295.19232	7.7
303.16098	4.7
305.17599	100.0
307.19171	8.3
321.17203	6.9
323.18561	18.0
461.20642	3.6
494.70923	3.2
541.26910	19.8
543.27991	3.5
568.51666	3.5
686.83911	3.3
695.36389	7.0
737.03857	3.7
737.38562	3.4
767.38739	11.2
778.37524	7.3
796.39221	24.5
829.43829	6.4
847.44336	4.6
865.47906	7.4
919.45996	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	919.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
65.82697	2.0
71.01389	16.7
73.02948	3.4
82.18463	2.3
89.02455	11.6
96.96043	3.3
97.06596	4.8
98.21806	4.6
98.29003	2.2
101.02447	9.8
113.02462	3.6
116.92874	3.6
125.02483	2.9
133.10379	2.5
151.11243	12.1
153.09190	2.6
169.12350	54.7
171.10321	5.4
185.11855	6.0
191.87006	2.2
197.11884	3.2
209.11845	22.6
213.11385	9.8
289.17975	2.6
307.19165	8.8
325.20340	2.9
336.73819	2.3
397.13696	3.4
593.23920	2.5
611.25732	3.8
901.43652	11.3
919.45642	100.0
920.45642	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	920.406
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70056	22.7
69.30697	100.0
71.27244	25.5
75.41049	25.9
96.95990	40.1
119.64092	25.3
126.88736	26.1
149.09756	29.4
208.61456	27.3
235.87738	25.1
241.17252	35.9
920.48016	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95066	0.2
66.71808	0.2
69.83492	0.4
71.01388	13.6
77.03986	0.3
87.00967	0.2
98.21951	0.2
100.00191	0.2
102.67983	0.2
103.95529	0.2
115.00386	8.6
121.02969	100.0
122.03308	1.1
167.14622	0.2
185.50070	0.2
207.60651	0.2
218.84357	0.2
219.05356	0.2
237.04066	14.9
238.04477	0.4
379.16357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39857	48.3
78.95901	47.6
85.00438	100.0
116.92834	46.2
522.13245	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	4.3
69.07173	17.3
71.01393	19.5
72.43046	2.2
73.02969	3.1
78.32219	2.4
82.95457	2.3
83.05053	3.2
85.00443	4.2
85.02964	5.3
87.00893	7.3
89.02455	15.5
95.01453	2.5
96.96019	4.8
97.02953	11.0
99.00898	3.4
101.02441	16.5
103.01542	5.4
104.44468	2.3
109.06604	39.5
113.02463	10.8
116.92868	3.9
119.03531	5.5
125.02485	6.4
135.08151	5.3
136.05382	2.4
143.03557	3.2
146.86742	2.4
156.46533	2.1
161.04559	5.1
163.11320	22.9
179.05617	5.0
181.12384	5.7
191.75049	2.5
207.10286	100.0
209.11865	3.3
221.06606	3.7
225.11357	48.8
235.08231	5.1
243.12491	3.7
277.21777	50.6
281.23444	2.6
338.19040	2.3
379.12430	9.7
397.13522	48.0
414.27667	2.7
415.14709	14.3
605.24335	11.6
623.25635	10.5
865.45819	4.0
879.66736	2.5
883.47028	64.3
884.47308	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	927.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73927	0.6
67.75797	0.5
71.01386	1.2
81.43059	0.5
83.01382	0.8
85.02903	0.9
89.02485	0.5
96.91719	0.6
96.96016	1.4
98.22685	1.4
101.02471	1.3
107.01408	1.0
107.13940	0.5
110.95937	0.5
113.02435	0.7
117.03453	0.7
123.04520	0.9
151.00374	3.7
183.04544	1.8
184.40846	0.6
193.05132	0.9
206.89240	0.6
211.04030	2.5
227.03528	2.5
229.14349	1.2
239.03513	0.7
255.02994	46.6
255.90964	0.6
256.03555	1.6
267.02994	1.0
268.03574	0.7
269.04507	0.7
283.02499	100.0
284.03226	13.0
285.04095	4.4
296.03284	1.4
297.04041	3.9
326.04260	2.0
379.35699	0.6
381.06152	4.9
400.32593	0.7
446.08578	16.6
447.08997	2.8
459.09705	0.7
517.62823	0.7
543.11487	6.1
585.12482	4.7
597.88544	0.6
656.17950	0.6
663.16083	4.3
705.16736	99.0
706.17065	6.5
906.37646	0.9
936.10858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78202	72.5
75.68696	36.3
98.22024	77.8
103.01483	52.0
109.75636	35.3
114.29019	31.9
116.92879	100.0
117.04848	40.7
187.09520	39.2
353.35678	36.5
475.42474	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.4398
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	7.3
69.41359	30.8
71.01389	56.1
73.03007	10.5
77.42628	6.8
79.71575	6.5
80.02677	5.7
82.00842	5.4
83.05025	14.5
85.02966	19.6
87.00876	9.4
89.02443	30.3
95.01373	9.2
96.96004	6.9
97.02976	23.6
97.06570	7.3
98.22810	5.1
101.02470	35.4
109.03860	6.1
109.06570	37.3
110.03770	9.7
111.00887	14.3
113.02448	15.0
121.02965	7.6
121.06576	5.5
123.08138	6.9
125.09737	30.3
135.08150	14.4
151.07607	5.9
160.84128	7.8
161.04593	6.8
163.11322	24.8
163.59264	5.4
177.05611	8.4
179.05573	7.3
181.12392	10.7
185.11906	8.4
187.09776	16.0
191.10870	6.2
197.11842	16.3
207.10274	78.5
209.11844	100.0
223.13322	8.6
225.11272	46.3
251.12796	6.3
287.16745	11.1
303.16006	8.5
305.17676	29.3
397.13504	12.0
513.28522	7.6
605.23145	6.3
625.18237	7.2
703.31934	10.8
722.93719	6.9
771.33868	9.9
783.34808	14.3
787.34131	8.8
801.35724	20.3
813.34485	8.1
831.36841	8.5
885.41998	8.9
893.41998	54.4
911.43024	78.1
929.44238	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.472
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40808	90.1
69.41199	91.1
71.52457	41.3
86.24481	45.9
94.97668	44.6
103.01495	100.0
104.95111	47.6
111.52000	43.1
112.33377	45.0
175.09535	42.6
264.74365	51.4
349.91635	47.7
397.13782	56.1
525.12427	55.2
640.81421	47.2
898.52521	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
98.21786	66.1
99.10901	29.3
103.01494	100.0
209.11819	55.2
248.78510	34.9
682.24054	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.8
69.71704	9.0
71.01387	17.6
73.02943	5.5
75.91360	2.7
81.03426	3.2
83.01408	2.8
83.04987	4.1
85.02962	3.9
88.98812	22.6
89.02434	13.1
100.42992	3.3
101.02444	12.8
113.02435	7.9
119.03513	2.8
125.09727	4.6
161.09712	3.9
162.83907	6.1
165.12779	5.0
171.10234	3.6
179.10693	4.3
197.11841	41.2
207.10258	3.9
209.11833	18.1
221.06514	2.8
223.13326	4.0
225.11433	4.3
227.96907	3.9
247.20628	4.6
289.18146	3.8
291.19681	26.7
305.17648	4.1
309.20697	9.2
320.17001	3.4
327.21698	7.4
384.12915	3.3
397.13489	10.9
415.14676	4.3
473.72714	3.0
913.44580	4.5
931.45325	100.0
932.45789	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	931.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	4.2
69.32816	3.7
69.33221	9.4
71.01387	31.1
71.04999	2.6
72.99348	3.5
73.02941	6.5
80.02679	4.7
81.03458	3.5
83.05032	8.3
85.02965	9.1
87.00891	7.5
89.02451	25.3
95.05018	5.6
96.96065	2.5
97.02964	10.8
99.00894	5.9
101.02445	22.3
107.05031	2.6
109.06603	28.1
110.03761	5.0
111.00877	2.9
113.02460	14.8
119.03519	6.3
121.06572	3.2
123.08128	3.5
125.02449	10.3
125.06095	3.7
125.09730	8.0
127.07697	3.5
135.08168	9.1
136.05325	2.5
137.09801	2.3
141.05484	2.7
143.03551	3.9
153.09236	8.6
161.04518	2.8
163.11328	22.2
165.12825	4.1
171.10295	29.5
178.09978	5.7
179.05692	5.4
181.12390	8.1
185.11806	10.8
186.94220	2.3
191.14442	2.7
197.11855	10.8
201.11377	3.9
201.80519	2.4
207.10289	72.9
209.11856	100.0
219.37035	2.3
221.11769	3.3
225.11340	44.7
227.12885	8.4
235.08128	4.9
235.13335	5.1
238.11993	3.4
243.12312	3.8
287.16452	3.7
289.18137	8.1
305.17542	24.0
307.19131	37.6
323.18665	8.1
325.20294	19.2
327.87552	2.2
343.19016	5.8
379.12207	3.2
397.13577	36.6
410.68546	2.7
415.14572	9.7
497.29254	5.5
515.30341	3.0
605.24231	3.1
623.25330	4.9
671.66986	2.5
685.31372	3.2
703.31848	7.0
705.33246	3.8
787.39471	2.8
854.14264	2.8
877.41791	3.8
892.31720	2.7
895.43225	26.9
913.44159	38.9
931.45477	47.6
932.44958	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	932.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21029	46.1
69.57574	97.7
69.57956	100.0
98.21905	75.2
159.39873	45.1
247.66644	48.7
301.45963	45.0
336.89758	49.2
370.47668	46.7
426.79266	50.0
489.58569	52.6
728.39551	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	932.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
209.11845	96.6
291.19717	87.1
305.17593	100.0
748.42212	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	3.6
71.01398	19.3
71.05033	2.7
73.02946	3.0
79.95737	3.0
85.02990	2.7
87.00877	3.8
89.02459	9.7
95.56786	2.2
96.96040	4.2
97.02933	5.6
97.06588	3.4
98.87404	2.5
99.00883	12.1
101.02454	7.9
102.52963	2.4
108.10181	2.2
110.03726	3.1
113.02462	3.8
116.92877	2.9
119.67569	2.5
124.69217	2.3
125.02470	4.5
125.09709	4.5
132.83369	2.6
135.08174	2.9
163.11288	10.9
165.12860	3.1
181.12340	13.9
182.99617	2.3
197.11972	2.6
199.13419	13.5
207.10306	24.0
209.11827	8.3
221.06744	3.4
224.03076	2.6
225.11345	37.7
227.12718	2.9
243.12372	13.7
247.20628	4.1
291.19534	23.2
309.20703	17.8
357.05215	2.4
397.13736	7.9
415.14664	2.8
484.80676	3.3
555.40247	2.5
623.25653	5.1
897.44611	3.6
915.46405	11.0
933.47089	100.0
934.47919	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	933.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	18.2
71.42379	1.2
73.02953	3.7
80.02679	1.8
81.03456	2.6
83.01376	1.8
83.05046	5.4
85.02965	4.2
87.00889	2.4
89.02464	12.7
93.41714	1.1
95.01425	1.4
95.05050	3.0
96.11205	1.1
96.96017	1.5
97.02958	2.5
97.06575	2.5
99.00871	1.4
101.02436	10.7
109.02982	1.4
109.06612	4.1
111.08218	1.2
113.02464	5.7
119.03540	3.8
125.02450	3.3
125.09718	2.6
127.07705	1.6
131.03499	1.4
135.08177	2.3
143.03552	1.6
153.09258	7.1
161.04611	2.9
163.11337	5.7
165.12883	3.4
171.10286	15.7
179.05632	4.0
181.12393	1.7
185.11841	3.0
191.10814	2.4
197.11879	4.6
207.10283	3.3
209.11853	100.0
210.12164	1.9
211.13438	2.6
221.06624	1.7
225.11349	2.0
227.12944	10.1
235.08318	1.8
245.19264	1.5
289.18134	7.4
307.19174	35.2
325.20255	21.3
327.21777	8.0
379.12418	1.5
397.08710	1.8
397.13574	26.2
415.14621	7.9
470.79910	1.3
551.23413	1.3
607.26611	2.0
687.31787	3.9
705.33331	9.4
723.34393	1.3
749.72913	1.2
846.38855	1.7
897.45459	4.3
915.46344	6.3
933.47369	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	933.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
64.82112	0.4
69.03449	0.7
70.16744	0.8
70.17087	0.6
71.01389	14.3
71.05005	0.7
72.99329	0.6
73.02950	2.0
80.02679	1.3
81.03478	2.8
83.01392	1.6
83.05022	6.2
84.02168	1.4
85.02966	3.3
87.00877	2.7
89.02453	10.8
91.97834	0.5
93.03473	0.5
95.01390	1.4
95.05028	1.8
95.71095	0.5
97.02959	1.9
97.06580	1.3
99.00883	0.5
101.02457	9.4
109.02982	0.6
109.06590	0.7
110.03770	0.7
111.00888	1.5
113.02467	5.8
115.07643	0.8
119.03508	3.3
123.04604	0.5
123.08142	0.7
125.02439	3.0
125.06079	1.0
125.09732	2.6
127.07649	1.4
127.11302	0.6
131.03519	0.9
135.08182	1.9
139.07658	0.6
141.02029	0.9
143.03496	1.8
153.09239	7.4
161.04567	2.1
163.11296	6.0
165.12842	3.3
171.10275	15.2
172.12489	0.5
173.47517	0.5
178.10045	1.3
179.05646	4.2
179.10754	0.6
181.12317	1.3
185.11819	3.1
191.10710	1.8
191.14384	0.8
197.11859	3.7
207.10202	0.9
209.11844	100.0
210.12201	1.6
221.06685	1.6
221.11755	0.7
225.11313	0.7
227.12900	11.8
235.08286	2.2
238.12085	1.3
245.19102	1.4
251.16487	0.7
253.09230	0.6
256.13342	0.5
263.07666	0.6
279.19785	0.5
285.70615	0.4
287.07617	1.0
289.18097	6.9
297.20819	0.9
305.08871	0.9
307.19189	39.8
307.54449	0.5
308.19516	1.1
323.09674	0.7
325.20239	21.3
327.21921	0.6
345.20816	0.6
379.12381	2.0
397.13541	26.2
398.13599	0.7
415.14548	8.2
559.84692	0.6
607.26184	1.5
687.32269	4.3
705.33356	8.4
720.55151	0.5
723.34833	2.0
828.38025	0.9
846.38794	0.9
879.42407	0.8
897.44684	5.1
915.46179	5.7
933.47180	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	934.458
Annotation	Unknow
Peak:m/z	Relative Intensity
75.48134	25.0
87.14189	28.8
90.93986	24.4
94.92522	56.4
96.96026	100.0
116.92884	30.5
219.57433	23.2
718.40125	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.6
71.01388	34.8
72.99326	1.2
73.02953	100.0
79.91276	0.7
81.00182	0.7
83.01395	22.5
85.02962	5.9
87.00896	0.9
89.02454	10.8
95.01387	2.4
97.02976	1.0
99.00913	0.9
101.02454	60.6
113.02461	20.7
119.03532	8.2
125.02438	2.9
131.03528	6.4
143.03513	7.5
147.03017	1.1
149.04575	14.4
155.03542	1.5
161.04573	27.1
182.10944	0.6
191.05800	0.8
203.05646	3.9
209.57190	0.7
221.06685	11.4
222.96555	0.8
463.21860	9.3
639.15338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5232
Annotation	Unknow
Peak:m/z	Relative Intensity
67.69496	0.7
69.03468	1.7
69.10480	4.4
71.01388	48.2
72.99327	1.3
73.02953	14.2
75.00890	0.9
81.03459	0.8
83.01392	6.5
85.02956	22.8
86.00081	1.0
87.00889	4.5
89.02451	16.3
95.01391	4.7
96.96031	5.0
97.02950	2.2
99.00896	5.3
101.01794	1.7
101.02458	33.6
109.12834	0.8
111.00884	2.8
113.01721	1.3
113.02463	17.9
116.92842	1.0
119.03516	5.5
121.02946	1.0
125.02444	3.0
129.02007	0.8
130.90591	0.7
131.03514	2.1
143.03493	2.1
159.02995	2.8
161.04579	6.7
179.05688	1.1
183.50450	0.8
221.06706	1.5
354.97220	1.0
440.64905	0.9
507.85611	1.0
529.29242	0.8
530.71252	0.8
611.41833	1.0
773.46881	10.3
838.77209	0.8
935.52338	100.0
936.53137	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	939.6432
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11539	2.9
71.01397	1.5
71.35069	0.6
77.94523	0.6
80.51697	0.6
83.05007	0.8
85.02946	0.6
86.90480	0.6
95.13744	0.6
98.22639	1.0
101.02429	0.8
109.22639	0.5
121.02986	0.9
125.02492	0.7
134.03801	0.8
135.04552	0.7
138.33922	0.6
141.21283	0.8
160.01720	1.0
165.05487	0.8
255.03020	1.0
278.46490	0.7
283.02505	0.8
284.03088	0.9
285.03998	0.9
337.08905	1.0
415.18668	0.7
451.33163	0.8
459.09360	1.3
460.41315	0.8
488.40802	0.8
545.83521	0.7
903.66382	2.4
904.66125	0.8
939.64252	100.0
940.64752	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	943.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.0
69.34390	1.7
69.64715	0.4
71.01387	32.9
72.99315	0.8
73.02950	100.0
74.03263	0.6
75.00877	1.1
83.01392	21.0
85.02951	5.9
85.10714	0.4
87.00888	1.0
89.02446	9.4
95.01387	2.5
97.02957	1.4
99.00890	0.5
99.04485	0.4
101.02450	66.7
113.02454	22.4
113.03262	0.6
115.04042	0.4
119.03512	9.5
124.00296	0.4
125.02452	2.7
131.03514	6.9
143.03496	8.4
147.03008	0.6
149.04565	18.3
155.03542	2.0
160.04643	0.3
161.04570	30.8
162.04910	0.5
165.35789	0.4
182.71573	0.4
191.05696	0.8
203.05634	3.6
221.06680	14.0
223.13435	0.5
237.14810	0.5
244.00821	0.4
260.16776	0.4
265.14417	0.5
588.45862	0.4
747.07983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36205	100.0
77.88103	18.7
79.92357	18.6
84.36718	22.0
89.02436	22.1
96.96005	19.6
112.66882	22.2
116.92891	26.7
209.11784	95.7
235.07945	22.5
277.21576	21.3
361.85172	21.6
373.16861	20.2
395.20233	21.4
397.13467	30.1
600.89148	19.3
890.97919	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	946.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
103.01499	100.0
116.78763	38.8
136.62216	48.9
176.06033	43.7
318.50778	47.5
328.75949	59.2
440.57028	44.7
782.24768	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	4.0
69.03468	6.2
71.01388	70.4
71.05028	3.4
72.99306	7.2
73.02952	12.8
74.25896	3.4
81.03466	3.5
83.01395	11.0
83.05041	11.7
85.02965	18.9
87.00891	15.4
89.02459	50.1
95.01408	7.2
95.92726	3.5
97.02962	12.7
97.06606	11.0
99.00891	12.0
101.02446	35.8
102.97326	3.0
107.04999	4.6
109.02969	5.6
109.06604	13.2
110.03773	6.5
111.04544	19.6
113.02450	20.9
118.18270	3.3
119.03510	13.1
121.06659	3.5
122.03770	4.3
123.04546	6.2
123.08161	7.3
125.02484	15.7
125.06119	9.7
125.09736	25.0
127.07663	6.4
135.08188	9.4
141.01962	4.7
141.09207	5.5
143.03450	4.8
151.11339	7.4
153.09229	29.6
155.10794	6.4
161.04604	9.2
161.09679	17.9
163.11293	12.3
165.12856	5.6
167.10765	4.1
169.08723	13.1
171.08797	4.9
171.10275	94.9
177.09248	7.4
178.09985	5.7
179.05696	7.8
179.10797	24.6
181.12315	6.2
185.11868	18.1
197.11815	22.5
199.09775	7.8
201.11380	6.9
205.08713	17.6
207.10284	21.8
209.11835	100.0
211.13420	4.6
211.52092	3.3
213.11342	12.8
221.06656	6.2
223.09767	66.7
225.11377	14.8
235.08273	11.4
241.10841	10.8
245.19197	9.7
249.10945	3.6
289.18146	30.2
291.19919	4.1
305.17435	4.3
307.19162	91.8
309.20444	4.5
325.20294	54.6
341.23230	14.4
379.12408	7.3
397.13568	54.6
415.14786	22.7
569.24548	5.9
577.47699	3.9
602.42767	4.2
603.23462	6.5
621.24164	8.6
639.24548	3.9
687.32416	7.5
705.33868	19.2
723.34735	4.3
790.35986	3.9
859.43384	14.0
893.41577	10.6
911.43011	33.9
912.42261	4.1
929.43915	38.9
947.45355	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	5.6
69.18370	1.0
69.32911	4.0
71.01385	15.1
71.05015	1.9
72.30048	1.2
72.78751	0.9
73.02946	2.8
73.81057	1.1
81.03452	1.6
83.01381	1.2
83.05029	2.3
83.81143	1.1
85.02951	4.0
87.00881	2.7
89.02457	10.5
95.05050	1.2
96.96013	2.8
97.02939	3.0
97.06612	1.5
99.00902	1.2
101.02455	10.5
111.00928	1.2
113.02496	4.8
119.03487	1.2
123.08194	1.3
125.02400	1.9
125.09732	4.4
127.07643	2.5
135.75099	1.1
139.07632	1.1
143.03551	1.9
151.11295	3.1
153.09250	2.0
153.12825	1.3
161.04642	1.4
161.09727	2.2
163.11272	2.2
171.10323	4.9
179.10762	5.4
185.11871	5.4
197.11845	50.7
209.11832	18.1
221.06680	1.7
225.11372	1.7
241.10846	3.4
256.12976	1.3
263.20041	1.1
289.18015	3.3
307.19186	9.0
325.20206	1.7
397.13559	1.8
419.50531	1.1
718.28247	1.1
929.43311	5.0
947.44977	100.0
948.45642	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	948.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19016	100.0
87.49954	15.8
94.92508	30.8
96.96028	44.6
122.30244	16.3
135.10715	14.8
201.50940	17.3
300.69205	15.7
509.01703	18.5
807.06769	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	948.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46356	28.1
71.69773	26.0
96.96011	100.0
98.22708	46.5
114.25388	26.3
239.12984	30.8
305.91534	30.0
347.93652	33.7
815.03461	33.4
953.21155	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55545	45.4
76.38858	36.2
98.22688	100.0
116.92878	43.4
209.11861	66.7
231.27187	40.1
541.60468	40.8
952.53473	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67706	29.6
71.01377	32.7
78.91878	13.3
89.02462	33.5
92.92798	8.4
97.02936	11.4
97.06656	8.4
100.08549	8.8
101.02470	13.7
109.06628	38.5
113.02446	14.9
119.03494	9.4
125.09728	14.8
161.09857	9.3
163.11310	20.6
164.00275	8.4
171.10272	9.0
179.05548	14.1
207.10278	92.6
209.11850	12.1
223.38419	7.6
225.11316	56.8
245.19138	20.5
246.88426	9.6
289.18207	37.9
289.29416	8.7
307.19131	42.1
328.68936	10.4
343.19604	9.7
397.13461	40.0
415.14615	14.2
497.29187	12.7
515.79395	10.0
739.24365	12.4
888.06329	10.2
895.43591	67.0
913.44531	100.0
949.42615	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	949.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.80561	1.2
68.58624	1.4
69.13304	7.7
71.01391	18.4
71.05013	3.6
72.99308	1.3
73.02922	2.4
75.83384	1.5
82.95436	3.6
83.01381	1.7
85.02939	3.7
87.00912	2.8
89.02451	10.5
95.05016	2.5
96.96014	1.9
97.02983	7.1
97.06599	4.4
98.57235	1.4
99.00892	17.5
101.02479	6.9
105.92151	1.5
106.04247	1.4
109.06577	2.0
110.03774	2.1
111.00878	2.5
113.02443	4.1
115.07592	1.5
123.08179	2.5
125.02465	2.3
125.09725	7.7
127.07693	1.4
127.76081	1.2
131.55878	1.5
153.09225	2.8
154.80031	1.5
160.65891	1.6
163.11320	12.7
171.10332	6.8
179.05557	2.1
181.12384	16.7
185.11780	3.5
197.11917	5.9
199.13403	8.4
201.11368	3.4
207.10278	31.0
209.11838	20.1
221.06662	2.0
225.11342	33.1
236.65227	1.5
243.12373	21.7
288.56738	1.4
305.17639	1.8
307.19199	10.3
325.20224	3.0
397.13577	4.5
481.69061	1.6
623.25842	1.9
641.26898	3.8
705.33215	2.4
729.07019	2.2
931.45691	11.2
949.46600	100.0
950.46765	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	949.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	2.4
69.36105	4.5
69.36514	4.9
71.01389	31.1
73.02983	4.8
81.03477	3.0
83.05025	9.0
84.02185	3.0
85.02980	6.3
87.00893	5.4
89.02460	20.6
90.68205	1.6
95.05034	2.6
96.05663	1.7
97.02978	5.9
97.06587	4.6
98.22612	3.9
99.00921	3.6
101.02455	17.3
107.92432	1.8
109.06608	4.0
111.00912	2.6
113.02458	7.8
119.03526	6.8
119.65941	1.8
123.08138	2.9
125.02414	4.6
125.06102	15.6
125.09735	6.3
127.11324	4.0
139.07697	2.5
141.09248	5.8
152.79233	2.0
153.09196	2.9
155.10768	3.0
156.19864	1.9
161.04562	3.3
163.11319	7.5
165.09341	2.4
165.12863	2.6
169.08699	24.2
171.10291	27.7
179.05673	6.1
185.11855	2.6
191.10730	2.1
192.35738	1.7
197.11769	3.1
199.09915	3.3
201.11349	80.8
207.10289	6.0
209.11845	100.0
210.12216	2.2
219.13336	1.9
221.06741	3.1
225.11264	10.3
227.12865	13.1
235.08298	4.4
235.89818	1.8
272.27744	1.8
281.70654	2.2
287.16599	2.8
289.18066	2.8
305.17538	13.4
307.19156	13.7
307.41321	1.8
323.09961	2.1
323.18726	2.8
325.20227	7.6
336.33383	1.9
341.23383	12.1
379.12381	4.2
397.13547	39.8
415.14642	13.5
557.84540	1.9
623.25482	3.7
705.32782	2.6
895.43488	2.8
913.43744	2.2
949.46362	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	950.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
94.55902	29.8
96.96014	85.6
98.22657	100.0
150.84091	30.6
186.74983	38.4
302.55075	32.1
305.17316	31.1
932.08606	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	951.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	58.9
72.99326	4.6
73.02954	10.8
83.01402	4.5
84.76264	3.1
85.02955	23.3
85.82083	3.8
87.00867	6.5
89.02446	36.3
95.01398	8.6
101.02449	37.8
113.02444	27.5
116.92903	7.7
119.03504	14.0
122.30035	3.9
161.04564	8.2
165.17879	4.4
171.10300	4.6
178.02330	4.7
178.03850	4.5
193.60010	3.9
198.73102	3.9
201.11375	14.5
209.11850	18.6
307.19073	10.3
325.20358	6.1
415.14935	3.9
449.21014	4.1
771.45538	48.6
951.51935	100.0
952.51917	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	951.518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.3
69.24287	2.3
69.24689	3.5
71.01389	59.7
72.99305	2.6
73.02950	13.4
75.00866	1.7
83.01392	7.1
85.02958	23.6
87.00906	2.8
89.02455	29.1
89.03026	1.4
95.01405	6.4
96.96009	1.2
97.02947	2.3
99.00909	4.7
101.02454	40.3
111.00886	1.6
113.02463	24.2
116.92867	2.3
119.03535	8.1
125.02452	3.0
141.46994	1.0
143.03560	1.2
150.03273	1.4
159.03027	2.1
161.04623	6.5
179.05632	2.2
234.96672	1.1
565.41089	2.8
727.46283	4.0
771.45374	43.7
772.46057	2.3
890.00879	1.2
951.51837	100.0
952.51984	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	953.258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	2.3
71.87326	1.0
85.02966	1.3
96.95984	1.0
98.21841	1.4
118.00977	0.9
119.78864	0.8
151.00348	3.1
159.04524	1.0
183.04547	2.0
211.04008	3.0
227.03438	1.7
253.14632	1.1
255.03009	41.1
281.36560	0.9
283.02515	100.0
284.03104	7.0
285.04135	8.2
514.11224	15.0
515.12079	12.1
557.13458	1.3
677.17407	1.4
689.16968	4.0
719.19189	1.6
731.18378	81.2
732.18518	2.7
748.40491	0.8
777.21381	0.8
953.53430	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	955.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	1.4
82.95409	1.5
85.00002	0.9
85.00420	4.7
88.98811	3.2
89.02402	0.9
96.96020	2.2
98.21844	2.7
100.70657	0.8
101.24358	0.9
103.00376	4.5
103.01509	100.0
104.60600	1.0
105.69290	1.0
116.92886	4.4
130.81285	1.0
131.84081	0.9
171.10258	1.7
209.11830	1.4
210.21661	1.0
225.11234	1.2
229.19008	1.0
277.21698	1.7
305.17538	2.6
309.20450	1.3
314.10306	0.9
397.13681	1.7
482.55127	1.2
541.26410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
73.69051	0.6
74.27650	0.5
75.00885	0.9
79.62224	0.5
80.91726	0.6
85.00459	0.6
88.98839	0.9
92.61195	0.6
96.96035	1.7
98.10345	0.6
98.22629	1.4
99.49121	0.6
103.00388	5.8
103.01508	100.0
105.08367	0.8
111.79440	0.6
113.92728	0.6
113.96984	0.6
116.92888	1.3
125.40955	0.5
143.05771	0.7
201.40819	0.6
242.13525	0.6
291.19794	1.5
309.20721	1.4
471.18790	0.8
485.39722	0.6
600.46136	0.6
602.68121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15430	7.8
69.15832	4.0
71.01393	15.5
72.78370	2.0
73.02947	2.2
80.02679	3.2
81.03468	3.1
83.05034	7.3
85.02951	5.0
85.41897	2.2
87.00874	3.1
89.02444	10.6
96.22929	2.0
101.02459	9.9
102.99818	1.8
107.05049	2.7
109.06586	2.2
111.00895	2.0
113.02470	3.5
119.03485	2.5
125.02437	4.5
125.06092	2.2
125.09740	4.3
128.31459	1.9
135.08157	3.6
146.07193	2.1
153.09253	5.1
161.92865	1.8
163.11292	6.6
165.12881	4.2
179.05693	2.3
185.11896	3.1
191.10814	4.3
197.11838	6.8
207.10245	4.0
209.11855	100.0
225.11342	2.4
227.12865	10.7
261.18689	2.2
287.16611	7.4
301.21744	2.5
305.17593	30.4
323.18442	9.8
397.13556	15.2
401.61707	1.9
415.14590	5.9
607.25592	3.4
685.31378	7.9
703.31708	10.9
779.47394	2.2
895.43213	10.1
913.44214	20.4
914.45410	3.0
931.45416	8.5
963.46942	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	963.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.7
73.02960	0.6
75.47999	0.3
81.03466	6.8
83.05035	15.7
85.02953	1.1
89.02443	0.9
101.02459	1.7
107.06152	0.4
111.00910	0.5
113.02457	0.8
119.03505	0.5
125.02402	0.7
125.07216	1.1
134.03731	0.8
135.04559	0.5
149.02403	0.4
151.03908	0.4
160.04031	0.7
161.04489	0.5
165.05688	0.4
175.03989	1.1
191.05815	0.4
199.18323	0.4
206.67863	0.4
207.14999	1.2
224.17755	2.1
225.16125	9.6
242.18840	0.4
255.03065	0.9
274.64307	0.4
284.03268	0.5
285.03992	0.5
305.14539	0.4
309.21747	1.0
333.22946	0.5
341.29282	0.6
367.27075	1.2
393.21533	0.4
397.15250	0.4
399.12421	0.4
433.31961	1.4
450.34271	0.9
451.32944	9.0
495.24588	1.1
567.45270	0.5
677.49683	1.9
783.38660	0.5
793.91418	0.4
885.66425	0.4
903.66620	100.0
904.66901	6.4
963.49310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76958	59.3
83.14993	59.6
113.85220	54.3
115.34715	66.7
136.89191	78.6
169.08768	78.2
209.11948	100.0
242.41916	74.5
268.44107	66.5
356.43600	67.2
416.19232	61.6
464.01328	67.8
570.43518	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	11.8
71.42232	0.8
72.99317	0.7
73.02959	2.2
80.05077	1.9
80.47056	0.7
83.01391	1.4
85.02976	3.6
87.66102	0.7
89.02447	7.8
94.06656	0.8
95.01373	1.6
95.39547	0.7
101.02459	5.9
106.06660	2.7
113.02466	3.4
119.03502	1.5
121.05360	1.0
122.06147	6.0
130.96063	0.7
132.04562	1.1
134.06137	21.7
148.04024	1.2
152.07202	3.0
160.04048	2.3
160.06514	1.8
174.05609	1.3
188.97978	0.7
190.05069	2.1
202.03520	0.9
209.98045	0.8
213.10382	11.1
225.10439	1.7
239.11916	6.0
241.13463	5.3
247.08701	0.9
251.08134	1.0
251.11908	2.8
267.11426	6.3
277.10150	1.5
279.11310	1.6
283.02667	1.0
285.12479	14.8
293.13016	1.8
305.09256	2.6
306.43533	0.9
316.14581	3.0
327.13666	1.2
328.10968	1.2
328.14529	1.1
337.12009	1.6
340.14536	8.9
342.12439	2.1
343.13498	1.1
344.13998	1.2
347.51086	0.9
354.12668	0.9
356.14099	2.7
357.14752	1.0
358.15762	5.7
368.10068	1.8
370.15756	1.7
372.17130	1.5
382.11929	1.1
384.13516	5.5
384.16638	0.9
384.17709	1.4
385.13681	1.4
396.13589	1.5
397.14261	2.5
398.15259	4.0
399.15805	0.9
400.16583	7.2
410.15604	0.9
412.16556	5.3
426.14301	2.0
438.14325	0.9
444.15726	1.9
505.22507	1.2
517.18073	1.4
543.17224	0.9
545.22162	1.2
547.23584	1.0
573.21259	1.6
591.22449	1.3
686.96088	0.8
725.28088	2.2
727.29919	5.2
743.29095	1.2
753.27869	20.3
764.51434	1.0
771.28882	100.0
772.28802	4.2
785.30475	7.1
795.28107	1.1
803.31494	74.8
804.31567	4.6
845.32373	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	965.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	3.2
69.32479	2.6
69.47028	13.5
71.01389	18.3
78.71940	2.9
89.02445	9.7
91.29461	2.9
93.44154	3.0
97.06574	3.7
98.22704	3.3
98.65145	3.0
101.02469	7.4
104.56512	2.8
113.02406	3.4
125.09724	4.3
128.13266	2.8
152.10918	2.7
158.79991	3.3
164.11293	3.1
179.10818	6.2
185.11906	4.7
185.34781	2.5
191.14391	3.7
197.11853	41.9
207.10251	5.0
209.35657	2.8
220.26024	4.0
221.15608	3.1
225.11304	3.2
242.53185	3.0
245.19206	6.3
282.31024	3.3
289.18011	7.3
305.15091	3.4
307.18903	3.5
911.43347	4.6
929.43939	100.0
930.42957	6.5
965.41785	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	965.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14386	13.0
71.01395	16.3
73.02957	2.9
76.82867	2.0
80.69147	1.9
81.03460	3.3
83.05030	4.9
85.02983	4.0
89.02444	11.1
95.05052	2.2
96.96083	2.2
97.71964	1.9
98.22644	3.7
99.00830	2.0
99.69363	2.1
101.02483	12.0
113.02464	6.6
119.03528	4.0
125.02441	4.8
125.09778	3.2
141.77428	2.0
143.03528	3.1
153.09236	6.0
163.11276	3.2
165.12898	4.6
171.10316	17.4
179.05577	4.2
184.75131	2.1
197.11833	4.1
209.11850	100.0
227.12865	12.3
289.18176	6.6
298.31775	2.0
299.55829	2.6
307.19199	41.3
325.20264	25.2
397.13507	26.4
415.14435	7.2
500.16531	2.1
607.26038	2.4
687.32654	5.6
705.33496	13.9
846.15326	2.4
897.45367	7.2
915.46661	12.8
933.46411	6.8
940.33795	2.3
950.36523	2.2
988.35565	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	965.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77099	1.6
71.01385	51.7
72.99335	1.4
73.02953	11.6
83.01395	7.0
83.01829	1.1
85.02450	2.2
85.02953	21.5
87.00890	2.7
89.02444	25.0
95.01390	4.0
96.45322	1.0
96.96014	2.0
97.02980	1.9
99.00880	3.6
101.02448	30.5
113.02444	19.9
119.03500	4.5
125.02448	1.8
129.01939	1.4
143.03558	1.8
161.04596	6.6
171.10260	1.4
175.52348	1.2
239.87471	1.2
255.02917	2.2
277.59433	1.2
283.02582	4.4
307.19214	1.2
336.18027	1.5
362.25241	1.2
495.25372	1.4
579.42181	1.7
624.02551	1.3
654.72888	1.2
670.11945	1.2
741.48419	3.4
785.46924	38.0
785.61237	2.4
789.14929	1.6
965.53296	100.0
966.53290	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	965.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	46.3
73.02943	7.3
79.50858	2.8
83.01382	4.5
85.02940	18.6
86.78984	3.1
87.00898	5.7
89.02444	26.0
95.01383	5.3
98.22697	5.8
99.00879	4.0
101.02460	34.2
102.71508	2.7
113.02439	15.0
119.03519	8.2
137.99899	2.7
161.04585	4.6
183.13887	4.0
225.11336	3.2
227.13049	5.4
237.97054	2.9
327.50912	3.1
785.46881	46.6
803.48206	5.4
965.53357	100.0
966.54022	5.2
974.13727	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	966.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99582	18.8
70.69444	17.2
85.02918	20.9
96.96027	43.4
111.00896	100.0
112.98608	48.3
114.93407	24.4
116.72549	19.4
116.92889	21.2
163.11221	19.8
174.35252	16.6
185.30257	21.0
209.11751	25.6
210.12219	16.8
244.50911	22.2
309.20987	21.5
310.20798	18.0
734.14728	19.0
746.83386	21.8
951.48145	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	967.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.2
71.01357	1.3
81.03465	0.6
85.02956	0.7
88.98808	0.6
98.22720	0.9
101.02409	1.2
107.05041	0.7
109.02982	3.8
117.82891	0.5
119.05043	1.0
121.03008	0.8
122.03838	0.7
123.00882	1.6
123.04609	0.8
124.01646	1.1
133.02974	0.8
134.03740	0.8
135.04543	1.3
136.01663	3.0
137.02460	24.9
139.00343	0.7
145.03041	0.7
149.02448	1.6
150.03226	4.6
151.00388	10.3
151.04021	4.6
152.01102	2.2
152.04843	3.1
153.01981	1.2
159.04456	1.1
160.01692	1.2
161.02458	0.8
162.03229	1.3
163.04010	1.9
164.01152	1.9
164.04839	1.0
165.01947	100.0
165.05606	7.7
166.02733	32.1
166.04195	0.7
166.06412	0.9
167.03546	2.8
173.02502	0.8
175.04037	3.0
176.04770	0.7
177.01974	1.5
177.05505	1.4
178.02715	1.9
179.03510	22.0
179.05219	1.1
179.05779	0.9
179.07147	1.0
180.04301	60.3
181.05081	41.4
184.03725	0.7
187.04021	1.6
190.02776	1.0
190.06409	1.0
191.03552	0.9
191.05461	0.6
192.04311	1.1
193.05043	2.2
194.05913	4.4
195.02945	2.7
195.06639	75.9
196.06995	1.3
205.05086	6.6
206.05794	0.7
206.17883	0.6
207.06676	3.2
210.03372	0.9
210.05341	14.4
211.05869	0.7
219.06706	1.3
220.07361	4.2
221.08041	0.6
225.07698	49.0
229.01172	0.6
229.03311	0.6
235.09749	0.8
320.71603	0.7
345.09842	1.7
354.11563	0.7
355.08139	0.7
359.11230	2.7
371.11343	0.8
372.12057	0.8
378.61337	0.6
386.14011	0.9
387.10236	5.2
387.15308	4.5
402.13116	5.2
403.13940	1.1
416.14914	3.7
417.15588	42.8
418.10077	0.6
418.15860	0.9
550.18231	1.2
565.16669	3.0
580.19666	2.8
583.22278	2.8
595.21906	55.6
596.21893	2.4
612.82031	0.7
613.23248	0.7
625.23187	2.3
643.24011	95.3
644.23865	4.1
745.27960	1.6
805.28632	3.8
806.30151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	28.0
71.41198	4.3
73.02922	6.7
80.91727	6.1
83.05016	4.9
85.02962	6.4
87.00908	5.3
89.02452	19.0
96.96020	18.6
97.02956	4.3
101.02450	17.9
107.05082	6.9
111.00912	5.5
113.02463	4.8
119.03533	6.2
146.98752	4.2
151.07695	29.9
155.03171	5.5
162.91626	3.9
163.11372	6.5
171.10263	31.2
176.97035	5.1
179.05637	7.7
181.12318	4.4
185.11807	4.3
201.11340	38.4
207.10251	7.7
209.11874	100.0
225.11385	6.4
227.12863	16.7
235.08319	7.2
250.41603	4.8
253.94035	4.9
289.18039	6.9
305.17599	15.9
307.19177	10.3
323.18784	5.7
373.92206	4.4
379.12543	4.7
397.13516	48.4
415.14478	12.7
428.25101	4.3
449.26770	4.2
549.11694	4.3
658.12408	4.7
703.31671	5.1
895.43591	5.5
913.45050	11.6
931.45618	9.1
967.42957	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	971.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	1.4
71.39915	0.6
85.02985	0.9
85.70226	0.6
89.02469	0.8
92.94953	0.5
93.03463	4.6
95.05061	0.6
101.02440	0.7
108.02155	0.9
109.02979	1.3
111.00868	0.8
113.02480	0.6
116.92808	0.7
121.02977	4.1
122.03751	14.0
123.00829	0.7
123.04508	0.8
124.15525	0.5
132.02116	0.6
133.02969	2.2
133.92384	0.5
134.03777	1.9
135.04544	1.7
136.01682	7.4
136.73332	0.6
137.02493	5.8
145.02979	1.1
146.03726	1.3
147.04572	1.1
149.02463	19.8
149.06099	1.3
150.03239	100.0
151.00395	3.7
151.04025	10.1
152.01099	0.8
152.04842	1.1
160.04070	0.6
161.02493	0.9
161.04640	0.7
162.03210	1.8
163.04034	0.9
164.04805	4.0
165.01945	4.8
165.05582	90.0
166.02722	7.4
167.03453	1.3
175.04031	1.5
176.04761	0.8
177.02042	0.8
177.05591	1.3
179.03520	1.4
179.07141	4.2
180.04311	8.6
181.05090	10.3
187.03934	0.6
190.06311	1.0
193.05060	1.0
195.06639	61.1
196.07014	0.8
205.05009	1.8
219.06688	1.1
220.07394	1.3
225.07695	2.5
255.02917	1.5
283.02380	1.4
284.03278	1.2
285.04102	0.7
357.09634	1.1
372.12247	1.5
373.12921	1.6
387.14575	8.5
402.13153	0.6
403.14105	0.9
417.15518	6.5
421.15103	5.5
535.16962	0.5
565.20795	13.5
595.21655	2.3
613.13745	0.7
613.23035	10.8
667.23938	1.3
713.26038	2.1
743.26978	1.7
761.28345	10.7
791.29706	3.2
809.30670	15.9
826.45966	0.6
899.97736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.356
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50011	0.6
71.01392	1.7
83.05430	0.5
85.02964	0.7
86.05771	0.6
88.98793	0.8
89.02455	1.0
93.03465	4.1
101.02472	1.2
108.02160	0.9
109.02928	1.3
116.92878	1.0
121.02967	6.8
122.03756	16.6
122.04645	1.2
123.00929	0.9
123.04495	1.7
133.02939	2.2
134.03751	1.6
135.04547	1.3
136.01666	7.0
137.02470	4.9
142.07565	0.7
145.02957	1.3
146.03716	0.9
147.04462	0.7
149.01259	1.3
149.02460	19.3
149.06139	1.5
150.03239	100.0
151.00426	3.4
151.04044	10.4
152.01216	0.7
152.04788	1.1
160.01712	1.0
162.03236	2.0
163.03987	1.2
164.04767	5.3
165.01942	3.3
165.05583	90.8
166.02737	7.1
167.03488	0.6
173.90993	0.6
175.04028	1.3
177.02017	0.7
177.05583	1.8
179.03493	1.1
179.05757	0.7
179.07138	3.5
180.04311	7.6
181.05086	10.5
193.05099	1.1
195.06638	62.1
196.06834	0.6
205.05067	2.1
219.06593	0.7
220.07402	2.1
225.07648	2.1
227.03506	1.0
255.02942	1.6
283.02408	1.5
284.03339	0.9
285.04013	1.0
329.10132	1.1
372.11823	1.2
373.12915	1.5
387.10440	1.0
387.14630	8.0
402.13162	1.6
417.15637	6.0
421.15158	3.8
535.15747	0.6
565.20782	13.5
583.21680	0.8
595.22540	2.7
613.22821	10.2
667.24011	1.0
713.25726	2.4
743.27393	1.2
761.15326	0.9
761.28107	9.5
773.28394	1.4
791.30377	3.0
809.30420	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	971.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
73.39505	0.7
75.00912	1.0
85.00468	0.9
96.96028	0.9
103.00388	4.3
103.01508	100.0
112.10873	0.8
116.92862	1.4
117.91461	0.8
119.97563	0.8
163.13167	0.8
209.11778	1.9
241.77469	0.8
305.17438	1.3
307.19388	1.0
404.45724	0.8
714.66235	0.8
742.61536	0.8
755.86823	0.9
849.46265	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36021	2.4
71.01373	1.2
85.02971	1.0
90.07581	0.5
93.03452	1.1
96.32104	0.6
102.18398	0.6
103.38681	0.5
113.02472	1.3
115.00459	0.6
121.02960	5.2
126.34934	0.6
129.19630	0.7
135.04565	4.3
137.02422	0.9
149.02458	31.9
151.03998	1.7
152.01196	5.1
160.04039	1.1
163.04036	6.3
164.04808	30.4
165.01891	1.4
167.03444	0.8
169.05086	1.7
175.00342	1.8
179.05675	0.9
179.07155	10.0
190.02742	6.3
191.03183	0.6
191.05595	0.6
193.01436	15.8
205.05066	13.1
208.03783	40.2
223.06131	100.0
224.06473	1.5
292.07974	0.6
340.15530	1.2
385.11438	22.5
402.80399	0.6
429.14050	37.8
430.14462	0.9
445.49741	0.7
770.15710	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
68.40428	3.4
69.48202	14.1
71.01385	12.9
83.04997	5.6
85.02962	5.4
89.02450	13.1
99.92575	12.8
101.02443	12.2
108.54663	3.0
111.00854	6.0
113.02470	6.8
116.92873	100.0
117.92789	3.5
125.02495	5.8
145.89397	4.1
151.27386	3.6
153.09254	4.3
163.11340	7.7
176.08382	5.1
179.05588	3.9
197.11862	11.0
209.11848	63.0
225.11238	3.9
226.33153	3.6
236.10545	3.8
261.18701	6.8
277.21753	48.0
287.16443	11.7
288.85553	3.6
305.17609	65.4
323.18588	15.6
333.17471	3.5
397.13556	22.7
415.14566	9.0
685.31213	9.9
703.31537	20.5
721.33063	6.8
798.00800	4.5
963.53369	56.7
981.53345	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	983.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	2.5
71.01389	42.9
71.05016	3.1
72.99297	3.3
73.02954	7.1
74.00591	1.9
81.03461	3.2
83.01419	3.6
83.05024	5.9
85.02951	10.3
87.00893	7.7
89.02448	33.4
92.84581	1.8
95.01363	4.1
96.96011	2.9
97.02946	7.5
97.06580	3.7
98.22694	4.2
99.00889	2.2
101.02457	31.0
108.14873	1.9
113.02463	15.1
116.92856	3.9
119.03496	8.3
119.47835	1.8
125.02449	10.6
125.09742	8.5
127.07689	2.8
135.08147	4.9
139.90674	2.0
143.03497	4.4
153.09225	14.2
161.04567	5.0
163.11292	5.4
171.10298	33.6
178.09958	2.7
179.05603	8.7
180.01443	2.0
182.33203	2.1
185.11858	4.9
186.70909	2.0
191.10707	2.3
197.11876	7.4
209.09827	3.2
209.11833	59.3
211.13315	2.1
221.06703	4.3
235.08229	8.6
245.19093	5.6
277.21765	100.0
283.48334	2.2
289.18146	16.3
291.19540	3.2
297.20764	5.1
305.08658	3.0
307.19171	87.4
325.20209	47.9
337.65442	2.2
379.12390	7.6
397.13504	75.6
398.13617	2.3
401.65622	2.1
415.14526	18.9
615.61707	2.2
675.35016	2.4
687.32135	13.0
705.33630	12.1
803.51105	3.3
896.47766	7.0
965.54529	27.9
983.55646	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	983.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17245	1.7
70.72044	1.6
71.01390	29.0
71.05000	1.8
73.02951	5.5
80.37522	2.4
81.03468	2.9
83.01408	3.5
83.05038	5.5
84.02177	2.3
85.00449	4.8
85.02965	6.3
85.06297	1.8
87.00896	6.4
89.02446	20.1
94.92559	1.7
95.01422	3.0
95.05006	2.7
96.07857	1.9
96.96051	3.7
97.02956	3.7
97.06614	2.7
98.21868	7.2
99.00907	2.1
99.04525	2.0
101.02461	18.8
112.05331	2.4
113.02441	11.2
113.10052	1.8
116.92898	3.2
119.03516	4.8
125.02454	5.4
125.09735	6.6
127.07698	3.7
127.11263	2.5
131.03465	3.0
135.08185	3.9
142.59760	2.0
143.03506	3.9
153.09222	18.0
161.04558	4.3
163.11288	5.6
165.12868	3.3
171.10281	33.2
178.09988	5.0
179.05638	10.3
180.14484	1.6
185.11890	5.7
191.10811	2.6
191.14459	2.4
197.11841	8.3
209.11842	63.1
221.06650	4.7
227.12965	2.3
235.08226	5.8
277.21750	66.9
278.21964	2.2
289.18134	16.7
291.19656	3.8
293.21136	3.1
297.20627	6.5
307.19174	100.0
309.20670	5.4
320.44711	2.0
325.20230	52.0
379.12451	5.5
397.13519	45.7
415.14630	16.1
440.11649	1.8
551.23450	2.8
687.32306	15.2
705.33459	24.5
723.34467	6.7
738.24097	1.9
831.92731	1.9
896.47821	7.6
965.54718	27.3
983.55768	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	991.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.4
70.68858	0.7
71.01389	37.5
72.99310	1.2
73.02955	100.0
75.00880	1.3
81.03435	1.1
83.01398	25.5
85.02960	7.2
87.00902	1.4
89.02454	13.3
95.01422	2.1
97.02990	1.5
99.00900	1.7
101.02456	69.2
113.02467	22.5
113.03256	1.0
119.03506	9.7
125.02450	2.1
131.03511	7.6
143.03497	8.6
149.04573	18.0
155.03513	1.9
161.04572	32.5
203.05611	4.4
221.06683	13.8
252.84666	0.6
265.14429	0.8
331.57101	0.6
387.20245	1.5
519.24554	22.2
635.72388	0.6
700.93225	0.7
890.40741	0.6
1015.85358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44814	0.7
73.03521	0.5
74.47466	0.5
83.58187	0.6
93.20994	0.6
99.98122	0.6
107.01419	0.8
114.37758	0.7
117.03471	0.7
151.00394	2.2
159.04593	0.9
167.05016	0.8
183.04518	3.4
185.02357	0.7
211.03993	3.0
227.03558	2.9
236.65440	0.7
254.67508	0.6
255.03009	44.9
256.03281	1.4
257.04565	1.3
283.02499	100.0
284.03171	6.2
285.04129	5.8
297.03979	1.0
423.09329	0.7
499.96826	0.6
527.11853	1.1
545.27509	0.8
555.11603	0.8
556.12311	14.3
557.12927	9.9
648.97009	0.7
716.84814	0.7
731.18561	3.2
761.18811	1.1
773.19403	87.8
774.19763	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	995.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	35.9
71.44118	2.2
72.99319	2.1
73.02953	5.8
73.63497	1.7
83.01394	3.9
85.02936	12.0
87.00883	2.6
89.02451	15.7
90.95234	1.7
95.01389	3.9
101.02444	19.9
113.02448	13.7
116.92864	1.9
119.03519	5.8
125.02441	1.8
137.63544	1.7
145.02910	1.8
160.19655	1.8
161.04570	2.8
168.54456	1.7
184.52716	1.6
216.81448	1.8
217.75859	1.6
248.77260	1.7
378.17380	1.7
475.19907	1.8
616.07910	1.6
815.48059	45.4
816.47809	2.2
995.54443	100.0
996.54510	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	999.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67441	0.9
71.01382	8.0
71.05017	0.8
72.89725	0.6
73.02934	0.8
77.17778	0.5
81.03448	0.8
83.01382	1.1
85.02955	2.3
87.00876	1.7
89.02438	6.5
95.01395	0.6
96.96026	0.7
97.02948	1.7
97.06589	0.5
101.02456	6.0
111.08225	0.6
113.02437	3.6
119.03498	1.7
123.08211	0.6
125.02489	1.7
125.06054	0.7
125.09683	1.3
132.90005	1.4
141.12848	0.7
143.03494	1.1
161.04558	1.0
162.10443	0.8
163.11269	3.0
165.12854	4.9
171.10292	1.8
179.05594	1.8
179.14433	1.7
181.12379	2.0
185.11871	0.6
190.84602	0.5
193.16040	1.7
195.13942	0.6
197.11844	1.3
207.10277	0.8
209.11832	2.5
221.06601	0.7
223.13393	2.2
235.08247	1.9
247.20709	6.1
257.27371	0.7
263.28485	0.7
273.18573	1.4
289.18051	1.0
291.19678	63.3
292.19980	1.0
293.21298	5.6
307.19113	2.8
309.20724	100.0
310.21237	1.6
318.47861	0.6
325.20129	2.6
379.12668	1.2
397.08679	1.2
397.13559	18.7
415.14627	8.9
689.33844	1.3
981.54230	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	999.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	9.1
73.02950	1.1
82.44541	0.5
83.01389	0.7
85.02960	2.0
87.00880	1.9
89.02450	7.0
94.92513	0.6
95.01392	0.6
96.96024	1.0
97.02960	2.0
97.06586	0.8
99.00863	0.7
99.92635	0.7
101.02456	6.8
111.08161	0.6
113.02480	4.1
113.09724	0.6
116.92881	3.0
119.03519	1.9
123.08127	0.6
125.02451	1.8
125.09776	0.7
136.23886	0.5
143.03487	1.0
161.04578	2.2
163.11292	1.8
165.00287	0.5
165.12871	4.0
167.14417	0.9
179.05687	2.7
179.07016	0.5
179.14410	1.2
181.12358	1.4
193.12383	0.8
193.16083	1.3
195.13918	1.5
197.11766	1.1
200.95079	0.6
201.43272	0.6
202.70428	0.5
209.11827	1.2
211.13480	1.3
221.06729	1.0
221.15341	1.2
223.13403	1.3
226.43983	0.6
233.81375	0.5
235.08228	1.7
247.20644	5.4
273.18655	2.2
281.21310	1.1
291.19687	53.1
305.08694	0.7
307.19031	0.8
309.20737	100.0
310.21167	1.4
311.22134	0.8
351.21893	1.0
354.69693	0.5
379.12436	0.6
397.13525	16.7
415.14618	7.9
507.77667	0.7
639.89154	0.5
689.33643	4.6
707.34955	5.0
930.47711	0.9
971.73743	0.8
981.54242	1.3
999.55414	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	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	8.9
72.99295	1.0
73.02953	1.3
83.01385	1.2
85.02952	3.2
87.00887	2.2
89.02459	8.1
94.92501	1.3
96.96025	5.0
97.02941	2.4
97.06602	1.6
98.22700	1.7
99.00832	0.9
99.35997	0.9
101.02459	7.9
111.00874	1.4
113.02467	3.0
113.09737	1.5
115.07650	1.5
116.92892	1.1
119.03534	2.3
123.98179	0.9
125.02440	2.0
127.97750	0.9
131.58835	0.8
141.09218	1.4
143.03467	0.9
161.04581	2.4
165.12863	2.6
170.83263	0.8
179.05608	2.9
181.12251	2.2
193.12363	1.0
195.13884	2.2
197.11809	2.0
209.11794	1.3
211.13400	2.6
221.06697	1.8
235.08221	1.2
247.20692	3.3
253.09442	1.0
265.21539	1.1
273.18500	1.8
281.21292	1.5
291.19684	33.1
293.20975	1.3
305.17636	0.8
307.19128	2.5
309.20746	100.0
310.21262	1.9
311.22202	2.2
323.09940	1.0
363.25656	1.0
382.01035	0.8
397.13599	15.4
415.14600	5.9
583.40027	1.1
689.33765	7.1
707.35071	16.9
930.47687	1.6
963.53516	1.1
966.22906	1.0
981.53534	2.5
999.55621	9.8
END